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 1w8q_1_D DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPEG 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.450 176.300 0.251 0.000 0.893 1 R CA 0.000 56.179 56.100 0.132 0.000 0.921 1 R CB 0.000 30.345 30.300 0.075 0.000 0.687 2 L N 1.803 123.176 121.223 0.249 0.000 2.017 2 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 2 L C 2.107 179.042 176.870 0.109 0.000 1.073 2 L CA 2.466 57.437 54.840 0.219 0.000 0.745 2 L CB -0.303 41.853 42.059 0.161 0.000 0.894 2 L HN 0.484 nan 8.230 nan 0.000 0.432 3 T N -3.457 111.151 114.554 0.089 0.000 2.759 3 T HA -0.243 4.106 4.350 -0.000 0.000 0.269 3 T C 1.574 176.312 174.700 0.065 0.000 1.042 3 T CA 1.550 63.687 62.100 0.061 0.000 1.140 3 T CB -0.452 68.444 68.868 0.047 0.000 0.864 3 T HN 0.465 nan 8.240 nan 0.000 0.455 4 E N 0.550 120.797 120.200 0.078 0.000 2.106 4 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 4 E C 2.123 178.763 176.600 0.067 0.000 0.984 4 E CA 0.838 57.280 56.400 0.069 0.000 0.806 4 E CB -0.258 29.486 29.700 0.074 0.000 0.750 4 E HN 0.356 nan 8.360 nan 0.000 0.458 5 L N 1.466 122.737 121.223 0.080 0.000 1.989 5 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 5 L C 2.243 179.126 176.870 0.021 0.000 1.071 5 L CA 1.759 56.608 54.840 0.015 0.000 0.749 5 L CB -0.207 41.773 42.059 -0.131 0.000 0.890 5 L HN -0.099 nan 8.230 nan 0.000 0.431 6 R N -0.501 120.048 120.500 0.081 0.000 2.105 6 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 6 R C 2.168 178.574 176.300 0.177 0.000 1.135 6 R CA 1.871 58.095 56.100 0.208 0.000 0.967 6 R CB -0.310 30.066 30.300 0.126 0.000 0.861 6 R HN 0.569 nan 8.270 nan 0.000 0.442 7 E N 0.114 120.369 120.200 0.091 0.000 2.046 7 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 7 E C 1.509 178.137 176.600 0.047 0.000 0.982 7 E CA 1.075 57.515 56.400 0.067 0.000 0.800 7 E CB -0.006 29.721 29.700 0.045 0.000 0.756 7 E HN 0.309 nan 8.360 nan 0.000 0.449 8 D N 0.940 121.355 120.400 0.024 0.000 2.123 8 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 8 D C 2.001 178.274 176.300 -0.046 0.000 0.992 8 D CA 0.980 54.975 54.000 -0.009 0.000 0.833 8 D CB -0.223 40.568 40.800 -0.014 0.000 0.954 8 D HN 0.213 nan 8.370 nan 0.000 0.455 9 I N 1.165 121.685 120.570 -0.083 0.000 2.252 9 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 9 I C 1.858 177.923 176.117 -0.087 0.000 1.102 9 I CA 0.949 62.124 61.300 -0.209 0.000 1.385 9 I CB -0.177 37.464 38.000 -0.598 0.000 1.064 9 I HN -0.123 nan 8.210 nan 0.000 0.414 10 D N 1.389 121.827 120.400 0.064 0.000 2.104 10 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 10 D C 2.259 178.580 176.300 0.035 0.000 0.994 10 D CA 1.693 55.754 54.000 0.100 0.000 0.830 10 D CB -0.203 40.669 40.800 0.120 0.000 0.959 10 D HN 0.352 nan 8.370 nan 0.000 0.452 11 A N 0.746 123.576 122.820 0.016 0.000 1.972 11 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 11 A C 2.386 179.962 177.584 -0.014 0.000 1.169 11 A CA 0.842 52.880 52.037 0.002 0.000 0.635 11 A CB -0.637 18.363 19.000 -0.000 0.000 0.810 11 A HN 0.204 nan 8.150 nan 0.000 0.446 12 I N -0.494 120.056 120.570 -0.035 0.000 2.252 12 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 12 I C 1.934 178.025 176.117 -0.044 0.000 1.102 12 I CA 0.998 62.267 61.300 -0.052 0.000 1.385 12 I CB -0.271 37.675 38.000 -0.090 0.000 1.064 12 I HN 0.255 nan 8.210 nan 0.000 0.414 13 L N 0.487 121.689 121.223 -0.035 0.000 2.551 13 L HA -0.091 4.249 4.340 -0.000 0.000 0.228 13 L C 1.637 178.507 176.870 -0.001 0.000 1.153 13 L CA 0.508 55.338 54.840 -0.017 0.000 0.851 13 L CB -0.396 41.668 42.059 0.009 0.000 0.959 13 L HN 0.228 nan 8.230 nan 0.000 0.451 14 E N -0.276 119.923 120.200 -0.000 0.000 2.476 14 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 14 E C 0.206 176.805 176.600 -0.002 0.000 1.064 14 E CA 0.062 56.465 56.400 0.004 0.000 0.866 14 E CB -0.132 29.573 29.700 0.007 0.000 0.952 14 E HN 0.353 nan 8.360 nan 0.000 0.492 15 D N 1.245 121.639 120.400 -0.010 0.000 2.382 15 D HA 0.012 4.652 4.640 -0.000 0.000 0.245 15 D C -1.641 174.655 176.300 -0.006 0.000 1.120 15 D CA -1.830 52.163 54.000 -0.012 0.000 0.890 15 D CB 1.808 42.594 40.800 -0.024 0.000 1.201 15 D HN -0.168 nan 8.370 nan 0.000 0.433 16 P HA -0.128 nan 4.420 nan 0.000 0.217 16 P C 0.846 178.151 177.300 0.008 0.000 1.148 16 P CA 1.296 64.398 63.100 0.003 0.000 0.828 16 P CB 0.103 31.804 31.700 0.002 0.000 0.783 17 A N -1.095 121.724 122.820 -0.002 0.000 2.186 17 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 17 A C 1.672 179.262 177.584 0.010 0.000 1.159 17 A CA 1.097 53.133 52.037 -0.001 0.000 0.680 17 A CB -1.293 17.690 19.000 -0.028 0.000 0.787 17 A HN 0.212 nan 8.150 nan 0.000 0.467 18 L N -0.155 121.074 121.223 0.010 0.000 2.872 18 L HA 0.159 4.499 4.340 -0.000 0.000 0.245 18 L C 0.119 177.016 176.870 0.044 0.000 1.211 18 L CA -0.447 54.408 54.840 0.026 0.000 1.013 18 L CB 0.102 42.165 42.059 0.006 0.000 1.326 18 L HN 0.166 nan 8.230 nan 0.000 0.525 19 E N 1.654 121.880 120.200 0.044 0.000 2.493 19 E HA 0.028 4.378 4.350 -0.000 0.000 0.255 19 E C 1.036 177.662 176.600 0.043 0.000 0.999 19 E CA 0.815 57.237 56.400 0.037 0.000 0.934 19 E CB 0.812 30.530 29.700 0.029 0.000 0.940 19 E HN 0.441 nan 8.360 nan 0.000 0.473 20 G N 2.975 111.795 108.800 0.034 0.000 2.305 20 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.287 20 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.287 20 G C 0.151 175.077 174.900 0.044 0.000 1.036 20 G CA 0.480 45.599 45.100 0.032 0.000 0.887 20 G HN 0.682 nan 8.290 nan 0.000 0.505 21 A N -0.965 121.890 122.820 0.058 0.000 2.365 21 A HA 0.848 5.168 4.320 -0.000 0.000 0.318 21 A C -0.145 177.477 177.584 0.063 0.000 1.091 21 A CA -0.444 51.641 52.037 0.082 0.000 0.763 21 A CB 2.207 21.286 19.000 0.132 0.000 1.248 21 A HN 1.095 nan 8.150 nan 0.000 0.442 22 V N 2.122 122.075 119.914 0.065 0.000 2.370 22 V HA 0.497 4.617 4.120 -0.000 0.000 0.279 22 V C 0.069 176.198 176.094 0.058 0.000 1.029 22 V CA -0.174 62.157 62.300 0.053 0.000 0.870 22 V CB 1.206 33.055 31.823 0.043 0.000 0.984 22 V HN 0.858 nan 8.190 nan 0.000 0.451 23 S N 3.113 118.845 115.700 0.053 0.000 2.473 23 S HA 0.715 5.185 4.470 -0.000 0.000 0.307 23 S C 0.270 174.907 174.600 0.063 0.000 1.094 23 S CA -0.585 57.647 58.200 0.053 0.000 1.070 23 S CB 1.858 65.082 63.200 0.040 0.000 1.019 23 S HN 0.992 nan 8.310 nan 0.000 0.480 24 G N 1.353 110.191 108.800 0.064 0.000 2.384 24 G HA2 0.562 4.522 3.960 -0.000 0.000 0.316 24 G HA3 0.562 4.522 3.960 -0.000 0.000 0.316 24 G C -1.031 173.923 174.900 0.091 0.000 1.160 24 G CA -0.464 44.681 45.100 0.075 0.000 0.936 24 G HN 0.590 nan 8.290 nan 0.000 0.455 25 V N 3.428 123.421 119.914 0.132 0.000 2.409 25 V HA 0.431 4.551 4.120 -0.000 0.000 0.290 25 V C -0.382 175.852 176.094 0.234 0.000 1.017 25 V CA -0.659 61.732 62.300 0.152 0.000 0.841 25 V CB 1.472 33.361 31.823 0.110 0.000 1.003 25 V HN 0.533 nan 8.190 nan 0.000 0.426 26 V N 5.405 125.426 119.914 0.179 0.000 2.540 26 V HA 0.654 4.774 4.120 -0.000 0.000 0.302 26 V C -0.483 175.716 176.094 0.174 0.000 1.035 26 V CA -0.638 61.770 62.300 0.180 0.000 0.873 26 V CB 2.316 34.207 31.823 0.114 0.000 0.992 26 V HN 0.564 nan 8.190 nan 0.000 0.428 27 V N 5.058 125.078 119.914 0.177 0.000 2.577 27 V HA 0.669 4.789 4.120 -0.000 0.000 0.303 27 V C -0.488 175.674 176.094 0.114 0.000 1.042 27 V CA -0.464 61.925 62.300 0.148 0.000 0.872 27 V CB 2.004 33.882 31.823 0.093 0.000 0.998 27 V HN 0.628 nan 8.190 nan 0.000 0.423 28 V N 2.229 122.210 119.914 0.111 0.000 3.040 28 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 28 V C -0.953 175.208 176.094 0.112 0.000 1.115 28 V CA -0.764 61.593 62.300 0.095 0.000 0.998 28 V CB 2.551 34.422 31.823 0.081 0.000 1.042 28 V HN 0.901 nan 8.190 nan 0.000 0.433 29 D N 0.820 121.282 120.400 0.102 0.000 2.280 29 D HA 0.266 4.906 4.640 -0.000 0.000 0.243 29 D C 1.126 177.487 176.300 0.101 0.000 1.129 29 D CA -0.011 54.058 54.000 0.115 0.000 0.848 29 D CB 1.871 42.736 40.800 0.107 0.000 1.107 29 D HN 0.576 nan 8.370 nan 0.000 0.471 30 T N 2.395 117.018 114.554 0.116 0.000 2.822 30 T HA -0.122 4.228 4.350 -0.000 0.000 0.270 30 T C 1.483 176.219 174.700 0.059 0.000 1.064 30 T CA 1.547 63.705 62.100 0.097 0.000 1.131 30 T CB 0.051 68.981 68.868 0.103 0.000 0.858 30 T HN 0.533 nan 8.240 nan 0.000 0.483 31 A N 1.976 124.831 122.820 0.059 0.000 1.865 31 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 31 A C 2.670 180.276 177.584 0.036 0.000 1.315 31 A CA 1.652 53.712 52.037 0.039 0.000 0.605 31 A CB -1.411 17.613 19.000 0.041 0.000 0.984 31 A HN 0.509 nan 8.150 nan 0.000 0.470 32 T N -3.185 111.395 114.554 0.043 0.000 2.803 32 T HA 0.214 4.564 4.350 -0.000 0.000 0.269 32 T C 1.603 176.325 174.700 0.036 0.000 1.052 32 T CA 1.894 64.017 62.100 0.037 0.000 1.136 32 T CB -0.699 68.196 68.868 0.044 0.000 0.864 32 T HN 2.061 nan 8.240 nan 0.000 0.467 33 G N 0.966 109.794 108.800 0.045 0.000 2.157 33 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 33 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 33 G C -0.178 174.748 174.900 0.044 0.000 0.979 33 G CA 0.308 45.433 45.100 0.043 0.000 0.650 33 G HN 0.919 nan 8.290 nan 0.000 0.529 34 E N 0.968 121.196 120.200 0.047 0.000 2.338 34 E HA 0.307 4.657 4.350 -0.000 0.000 0.272 34 E C 0.336 176.966 176.600 0.049 0.000 1.029 34 E CA -0.406 56.020 56.400 0.044 0.000 0.872 34 E CB 0.352 30.079 29.700 0.045 0.000 1.015 34 E HN 0.412 nan 8.360 nan 0.000 0.417 35 E N 5.932 126.155 120.200 0.039 0.000 2.104 35 E HA 0.004 4.353 4.350 -0.000 0.000 0.278 35 E C 0.459 177.081 176.600 0.036 0.000 1.127 35 E CA -0.197 56.227 56.400 0.041 0.000 0.897 35 E CB 0.438 30.154 29.700 0.026 0.000 1.043 35 E HN 0.658 nan 8.360 nan 0.000 0.410 36 L N 4.360 125.613 121.223 0.050 0.000 2.240 36 L HA 0.058 4.397 4.340 -0.000 0.000 0.211 36 L C 0.357 177.273 176.870 0.077 0.000 1.106 36 L CA 0.546 55.405 54.840 0.031 0.000 0.793 36 L CB -0.095 41.947 42.059 -0.028 0.000 0.927 36 L HN 0.575 nan 8.230 nan 0.000 0.446 37 Y N -0.820 119.456 120.300 -0.039 0.000 2.521 37 Y HA 0.478 5.028 4.550 -0.000 0.000 0.332 37 Y C -0.989 174.906 175.900 -0.009 0.000 1.121 37 Y CA -1.139 56.941 58.100 -0.034 0.000 1.037 37 Y CB 1.909 40.334 38.460 -0.057 0.000 1.330 37 Y HN -0.231 nan 8.280 nan 0.000 0.452 38 S N 5.893 121.426 115.700 -0.279 0.000 2.566 38 S HA 0.735 5.205 4.470 -0.000 0.000 0.273 38 S C -2.002 172.503 174.600 -0.160 0.000 1.157 38 S CA -0.708 57.453 58.200 -0.066 0.000 0.938 38 S CB 1.113 64.282 63.200 -0.053 0.000 1.087 38 S HN 0.881 nan 8.310 nan 0.000 0.474 39 R N 3.228 123.755 120.500 0.046 0.000 2.508 39 R HA 0.340 4.680 4.340 -0.000 0.000 0.283 39 R C -1.281 175.061 176.300 0.069 0.000 1.120 39 R CA -0.223 55.905 56.100 0.048 0.000 0.958 39 R CB 0.631 31.023 30.300 0.154 0.000 1.215 39 R HN 0.712 nan 8.270 nan 0.000 0.427 40 D N 2.762 123.184 120.400 0.037 0.000 2.811 40 D HA -0.169 4.470 4.640 -0.000 0.000 0.231 40 D C 1.048 177.375 176.300 0.045 0.000 1.157 40 D CA 1.541 55.564 54.000 0.038 0.000 0.716 40 D CB -0.992 39.835 40.800 0.046 0.000 1.077 40 D HN 0.881 nan 8.370 nan 0.000 0.428 41 G N 0.202 109.028 108.800 0.044 0.000 2.450 41 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.220 41 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.220 41 G C 1.468 176.393 174.900 0.042 0.000 1.130 41 G CA 0.850 45.980 45.100 0.051 0.000 0.760 41 G HN 0.508 nan 8.290 nan 0.000 0.557 42 G N -0.458 108.360 108.800 0.031 0.000 3.284 42 G HA2 0.303 4.263 3.960 -0.000 0.000 0.236 42 G HA3 0.303 4.263 3.960 -0.000 0.000 0.236 42 G C 0.210 175.124 174.900 0.022 0.000 1.158 42 G CA -0.169 44.946 45.100 0.026 0.000 0.774 42 G HN 0.409 nan 8.290 nan 0.000 0.545 43 E N 1.049 121.265 120.200 0.026 0.000 2.223 43 E HA 0.254 4.604 4.350 -0.000 0.000 0.282 43 E C 0.257 176.870 176.600 0.022 0.000 1.046 43 E CA -0.275 56.139 56.400 0.023 0.000 0.857 43 E CB 0.329 30.046 29.700 0.028 0.000 1.055 43 E HN 0.260 nan 8.360 nan 0.000 0.409 44 Q N 3.773 123.580 119.800 0.013 0.000 2.286 44 Q HA 0.316 4.656 4.340 -0.000 0.000 0.267 44 Q C -0.579 175.427 176.000 0.009 0.000 1.028 44 Q CA 0.223 56.029 55.803 0.005 0.000 0.901 44 Q CB 0.616 29.351 28.738 -0.005 0.000 1.183 44 Q HN 0.509 nan 8.270 nan 0.000 0.392 45 L N 1.969 123.198 121.223 0.010 0.000 2.359 45 L HA 0.504 4.844 4.340 -0.000 0.000 0.256 45 L C -0.609 176.265 176.870 0.008 0.000 1.026 45 L CA -1.129 53.721 54.840 0.017 0.000 0.828 45 L CB 1.378 43.456 42.059 0.033 0.000 1.406 45 L HN 0.421 nan 8.230 nan 0.000 0.413 46 L N 2.975 124.205 121.223 0.011 0.000 2.410 46 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 46 L C -1.397 175.480 176.870 0.011 0.000 1.144 46 L CA -1.130 53.710 54.840 0.000 0.000 0.863 46 L CB 0.604 42.662 42.059 -0.002 0.000 1.140 46 L HN 0.437 nan 8.230 nan 0.000 0.463 47 P HA -0.002 nan 4.420 nan 0.000 0.234 47 P C 0.704 178.017 177.300 0.020 0.000 1.175 47 P CA 1.072 64.190 63.100 0.029 0.000 0.801 47 P CB 0.748 32.476 31.700 0.047 0.000 0.891 48 A N 0.376 123.195 122.820 -0.002 0.000 5.691 48 A HA -0.239 4.081 4.320 -0.000 0.000 0.271 48 A C 1.742 179.322 177.584 -0.006 0.000 2.133 48 A CA 1.325 53.348 52.037 -0.024 0.000 0.713 48 A CB -2.446 16.538 19.000 -0.027 0.000 1.115 48 A HN 0.156 nan 8.150 nan 0.000 0.356 49 S N 0.671 116.357 115.700 -0.023 0.000 2.500 49 S HA -0.101 4.369 4.470 -0.000 0.000 0.239 49 S C 1.421 176.021 174.600 -0.000 0.000 0.989 49 S CA 1.313 59.504 58.200 -0.016 0.000 0.951 49 S CB -0.610 62.558 63.200 -0.052 0.000 0.759 49 S HN 0.634 nan 8.310 nan 0.000 0.523 50 N N 1.344 120.054 118.700 0.017 0.000 2.443 50 N HA -0.019 4.721 4.740 -0.000 0.000 0.184 50 N C 1.413 177.025 175.510 0.171 0.000 1.037 50 N CA 0.492 53.567 53.050 0.042 0.000 0.896 50 N CB -0.329 38.190 38.487 0.053 0.000 0.959 50 N HN 0.286 nan 8.380 nan 0.000 0.442 51 M N 0.960 120.670 119.600 0.184 0.000 2.213 51 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 51 M C 1.357 177.854 176.300 0.329 0.000 1.062 51 M CA 1.502 56.974 55.300 0.286 0.000 1.105 51 M CB -0.080 32.601 32.600 0.134 0.000 1.385 51 M HN -0.082 nan 8.290 nan 0.000 0.417 52 K N -0.365 120.140 120.400 0.176 0.000 2.281 52 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 52 K C 1.772 178.434 176.600 0.103 0.000 1.046 52 K CA 1.135 57.504 56.287 0.138 0.000 0.938 52 K CB -0.442 32.013 32.500 -0.075 0.000 0.737 52 K HN 0.417 nan 8.250 nan 0.000 0.458 53 L N -0.476 120.785 121.223 0.063 0.000 2.201 53 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 53 L C 1.781 178.701 176.870 0.082 0.000 1.105 53 L CA 0.959 55.802 54.840 0.006 0.000 0.775 53 L CB -0.218 41.768 42.059 -0.121 0.000 0.913 53 L HN 0.098 nan 8.230 nan 0.000 0.440 54 F N -0.695 119.367 119.950 0.186 0.000 2.219 54 F HA -0.098 4.429 4.527 -0.000 0.000 0.294 54 F C 2.609 178.501 175.800 0.154 0.000 1.086 54 F CA 1.151 59.247 58.000 0.159 0.000 1.330 54 F CB -0.875 38.188 39.000 0.106 0.000 1.047 54 F HN -0.090 nan 8.300 nan 0.000 0.495 55 T N 0.033 114.800 114.554 0.355 0.000 2.746 55 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 55 T C 2.315 177.170 174.700 0.257 0.000 1.039 55 T CA 1.334 63.604 62.100 0.283 0.000 1.142 55 T CB -0.666 68.402 68.868 0.333 0.000 0.866 55 T HN 0.265 nan 8.240 nan 0.000 0.444 56 A N 1.490 124.506 122.820 0.326 0.000 1.902 56 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 56 A C 2.639 180.315 177.584 0.152 0.000 1.181 56 A CA 1.864 54.092 52.037 0.318 0.000 0.623 56 A CB -1.109 18.062 19.000 0.285 0.000 0.818 56 A HN 0.509 nan 8.150 nan 0.000 0.443 57 A N -0.150 122.771 122.820 0.168 0.000 1.877 57 A HA 0.176 4.495 4.320 -0.000 0.000 0.216 57 A C 2.514 179.942 177.584 -0.261 0.000 1.186 57 A CA 2.102 54.016 52.037 -0.205 0.000 0.620 57 A CB -1.063 17.876 19.000 -0.102 0.000 0.822 57 A HN 1.086 nan 8.150 nan 0.000 0.443 58 A N -0.287 122.509 122.820 -0.040 0.000 1.969 58 A HA 0.208 4.528 4.320 -0.000 0.000 0.218 58 A C 2.450 179.991 177.584 -0.073 0.000 1.169 58 A CA 1.900 53.923 52.037 -0.023 0.000 0.635 58 A CB -0.890 18.144 19.000 0.058 0.000 0.810 58 A HN 1.011 nan 8.150 nan 0.000 0.445 59 A N -0.016 122.770 122.820 -0.056 0.000 1.877 59 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 59 A C 2.128 179.619 177.584 -0.154 0.000 1.186 59 A CA 1.515 53.518 52.037 -0.057 0.000 0.620 59 A CB -0.611 18.404 19.000 0.024 0.000 0.822 59 A HN 0.474 nan 8.150 nan 0.000 0.443 60 L N -0.756 120.274 121.223 -0.322 0.000 2.141 60 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 60 L C 2.615 179.232 176.870 -0.421 0.000 1.094 60 L CA 1.082 55.608 54.840 -0.523 0.000 0.763 60 L CB -0.468 40.874 42.059 -1.195 0.000 0.908 60 L HN 0.380 nan 8.230 nan 0.000 0.437 61 E N -0.266 119.746 120.200 -0.313 0.000 2.076 61 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 61 E C 2.304 178.894 176.600 -0.016 0.000 0.979 61 E CA 1.059 57.438 56.400 -0.035 0.000 0.807 61 E CB 0.057 29.782 29.700 0.040 0.000 0.761 61 E HN 0.304 nan 8.360 nan 0.000 0.454 62 V N 0.771 120.652 119.914 -0.055 0.000 2.426 62 V HA -0.139 3.981 4.120 -0.000 0.000 0.242 62 V C 2.172 178.212 176.094 -0.091 0.000 1.036 62 V CA 0.917 63.188 62.300 -0.049 0.000 1.044 62 V CB -0.192 31.603 31.823 -0.047 0.000 0.688 62 V HN 0.118 nan 8.190 nan 0.000 0.462 63 L N 0.031 121.162 121.223 -0.154 0.000 2.202 63 L HA 0.461 4.801 4.340 -0.000 0.000 0.205 63 L C 1.178 177.972 176.870 -0.126 0.000 1.083 63 L CA 1.425 56.084 54.840 -0.303 0.000 0.790 63 L CB -1.244 40.547 42.059 -0.446 0.000 0.942 63 L HN 0.529 nan 8.230 nan 0.000 0.452 64 G N -1.755 107.005 108.800 -0.066 0.000 2.705 64 G HA2 0.027 3.987 3.960 -0.000 0.000 0.686 64 G HA3 0.027 3.987 3.960 -0.000 0.000 0.686 64 G C 0.670 175.588 174.900 0.030 0.000 1.285 64 G CA -0.081 45.024 45.100 0.008 0.000 0.800 64 G HN 0.399 nan 8.290 nan 0.000 0.611 65 A N 0.298 123.153 122.820 0.058 0.000 1.968 65 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 65 A C 1.992 179.610 177.584 0.057 0.000 1.169 65 A CA 2.250 54.331 52.037 0.074 0.000 0.638 65 A CB -0.288 18.786 19.000 0.124 0.000 0.812 65 A HN 1.338 nan 8.150 nan 0.000 0.446 66 D N -1.226 119.203 120.400 0.048 0.000 2.349 66 D HA -0.009 4.631 4.640 -0.000 0.000 0.224 66 D C 0.585 176.860 176.300 -0.042 0.000 1.029 66 D CA -0.076 53.928 54.000 0.007 0.000 0.879 66 D CB -0.963 39.842 40.800 0.009 0.000 0.906 66 D HN 0.595 nan 8.370 nan 0.000 0.528 67 H N 0.865 119.856 119.070 -0.131 0.000 2.790 67 H HA 0.339 4.895 4.556 -0.000 0.000 0.358 67 H C -0.011 175.082 175.328 -0.392 0.000 1.103 67 H CA 0.285 56.186 56.048 -0.246 0.000 1.426 67 H CB 0.681 30.287 29.762 -0.259 0.000 1.424 67 H HN 0.061 nan 8.280 nan 0.000 0.599 68 S N 3.184 118.220 115.700 -1.107 0.000 2.588 68 S HA 0.551 5.021 4.470 -0.000 0.000 0.275 68 S C -1.442 172.503 174.600 -1.091 0.000 1.130 68 S CA -1.011 56.667 58.200 -0.870 0.000 0.855 68 S CB 1.194 64.122 63.200 -0.454 0.000 1.116 68 S HN 0.406 nan 8.310 nan 0.000 0.472 69 F N 0.412 120.224 119.950 -0.229 0.000 2.480 69 F HA 0.805 5.332 4.527 -0.000 0.000 0.329 69 F C 0.988 176.659 175.800 -0.214 0.000 1.091 69 F CA -0.392 57.498 58.000 -0.183 0.000 0.972 69 F CB 2.093 41.037 39.000 -0.093 0.000 1.150 69 F HN 0.994 nan 8.300 nan 0.000 0.467 70 G N 0.226 108.983 108.800 -0.072 0.000 2.537 70 G HA2 0.688 4.648 3.960 -0.000 0.000 0.308 70 G HA3 0.688 4.648 3.960 -0.000 0.000 0.308 70 G C -1.470 173.352 174.900 -0.130 0.000 1.237 70 G CA -0.735 44.287 45.100 -0.130 0.000 0.968 70 G HN 0.538 nan 8.290 nan 0.000 0.481 71 T N 0.461 114.959 114.554 -0.092 0.000 2.900 71 T HA 0.641 4.991 4.350 -0.000 0.000 0.295 71 T C -0.934 173.715 174.700 -0.085 0.000 1.044 71 T CA -0.570 61.472 62.100 -0.096 0.000 0.995 71 T CB 2.274 71.115 68.868 -0.045 0.000 1.072 71 T HN 0.566 nan 8.240 nan 0.000 0.473 72 E N 0.651 120.787 120.200 -0.107 0.000 2.383 72 E HA 0.618 4.968 4.350 -0.000 0.000 0.275 72 E C -1.480 175.078 176.600 -0.070 0.000 0.918 72 E CA -0.970 55.387 56.400 -0.071 0.000 0.764 72 E CB 2.680 32.342 29.700 -0.064 0.000 1.252 72 E HN 0.228 nan 8.360 nan 0.000 0.449 73 V N 1.380 121.285 119.914 -0.015 0.000 2.409 73 V HA 0.701 4.821 4.120 -0.000 0.000 0.291 73 V C -0.559 175.606 176.094 0.118 0.000 1.020 73 V CA -0.413 61.909 62.300 0.037 0.000 0.848 73 V CB 1.172 33.062 31.823 0.110 0.000 0.990 73 V HN 0.769 nan 8.190 nan 0.000 0.430 74 A N 4.124 127.060 122.820 0.194 0.000 2.413 74 A HA 1.043 5.363 4.320 -0.000 0.000 0.307 74 A C -0.401 177.420 177.584 0.395 0.000 1.087 74 A CA -0.234 51.948 52.037 0.241 0.000 0.750 74 A CB 2.008 21.135 19.000 0.212 0.000 1.296 74 A HN 1.357 nan 8.150 nan 0.000 0.423 75 A N -0.013 122.988 122.820 0.301 0.000 2.527 75 A HA 0.680 5.000 4.320 -0.000 0.000 0.293 75 A C 0.534 177.987 177.584 -0.218 0.000 1.117 75 A CA 0.165 52.340 52.037 0.229 0.000 0.723 75 A CB 1.037 20.105 19.000 0.114 0.000 1.313 75 A HN 0.994 nan 8.150 nan 0.000 0.411 76 E N 0.270 119.930 120.200 -0.900 0.000 2.110 76 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 76 E C 0.685 176.943 176.600 -0.570 0.000 0.988 76 E CA 1.636 57.208 56.400 -1.380 0.000 0.804 76 E CB 0.039 28.824 29.700 -1.526 0.000 0.745 76 E HN 0.791 nan 8.360 nan 0.000 0.458 77 S N -1.664 113.839 115.700 -0.328 0.000 2.656 77 S HA 0.729 5.199 4.470 -0.000 0.000 0.273 77 S C -0.386 174.156 174.600 -0.097 0.000 1.168 77 S CA -0.750 57.341 58.200 -0.182 0.000 0.817 77 S CB 1.221 64.322 63.200 -0.164 0.000 1.146 77 S HN 0.231 nan 8.310 nan 0.000 0.475 78 A N 0.782 123.564 122.820 -0.064 0.000 2.346 78 A HA 0.699 5.019 4.320 -0.000 0.000 0.255 78 A C -2.599 174.970 177.584 -0.025 0.000 1.113 78 A CA -1.115 50.903 52.037 -0.032 0.000 0.798 78 A CB -1.358 17.626 19.000 -0.026 0.000 1.073 78 A HN 0.661 nan 8.150 nan 0.000 0.502 79 P HA 0.379 nan 4.420 nan 0.000 0.279 79 P C 0.380 177.674 177.300 -0.010 0.000 1.239 79 P CA 0.130 63.227 63.100 -0.006 0.000 0.789 79 P CB 1.123 32.824 31.700 0.001 0.000 0.933 80 G N 1.747 110.541 108.800 -0.010 0.000 2.494 80 G HA2 0.067 4.027 3.960 -0.000 0.000 0.270 80 G HA3 0.067 4.027 3.960 -0.000 0.000 0.270 80 G C 0.931 175.826 174.900 -0.008 0.000 1.423 80 G CA -0.457 44.636 45.100 -0.011 0.000 1.055 80 G HN 0.353 nan 8.290 nan 0.000 0.536 81 R N -0.689 119.807 120.500 -0.007 0.000 2.091 81 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 81 R C 2.572 178.869 176.300 -0.005 0.000 1.136 81 R CA 1.329 57.425 56.100 -0.006 0.000 0.959 81 R CB -0.172 30.124 30.300 -0.006 0.000 0.856 81 R HN 0.387 nan 8.270 nan 0.000 0.437 82 R N -0.118 120.379 120.500 -0.005 0.000 2.339 82 R HA 0.041 4.381 4.340 -0.000 0.000 0.199 82 R C 0.776 177.073 176.300 -0.004 0.000 1.018 82 R CA 0.529 56.627 56.100 -0.004 0.000 1.036 82 R CB 0.125 30.423 30.300 -0.003 0.000 0.899 82 R HN 0.332 nan 8.270 nan 0.000 0.473 83 G N 2.233 111.030 108.800 -0.004 0.000 2.350 83 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.298 83 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.298 83 G C -0.500 174.400 174.900 -0.000 0.000 1.037 83 G CA 0.319 45.417 45.100 -0.003 0.000 1.074 83 G HN 0.430 nan 8.290 nan 0.000 0.511 84 E N -1.607 118.595 120.200 0.002 0.000 2.320 84 E HA 0.772 5.121 4.350 -0.000 0.000 0.264 84 E C -0.003 176.605 176.600 0.013 0.000 0.923 84 E CA -0.805 55.599 56.400 0.008 0.000 0.796 84 E CB 2.826 32.531 29.700 0.007 0.000 1.262 84 E HN 0.829 nan 8.360 nan 0.000 0.428 85 V N -1.644 118.286 119.914 0.027 0.000 3.048 85 V HA 0.287 4.407 4.120 -0.000 0.000 0.303 85 V C 0.093 176.227 176.094 0.067 0.000 1.214 85 V CA -0.937 61.388 62.300 0.041 0.000 0.984 85 V CB 1.840 33.700 31.823 0.061 0.000 1.054 85 V HN 0.580 nan 8.190 nan 0.000 0.430 86 Q N 0.912 120.764 119.800 0.086 0.000 1.669 86 Q HA 0.185 4.525 4.340 -0.000 0.000 0.410 86 Q C -0.125 175.987 176.000 0.187 0.000 0.936 86 Q CA 1.150 57.027 55.803 0.124 0.000 0.895 86 Q CB -0.012 28.807 28.738 0.136 0.000 0.941 86 Q HN 0.928 nan 8.270 nan 0.000 0.409 87 D N 0.641 121.227 120.400 0.310 0.000 2.255 87 D HA 0.340 4.980 4.640 -0.000 0.000 0.249 87 D C -0.387 176.185 176.300 0.454 0.000 1.078 87 D CA -0.014 54.221 54.000 0.392 0.000 0.896 87 D CB 1.019 42.157 40.800 0.564 0.000 1.194 87 D HN 0.099 nan 8.370 nan 0.000 0.429 88 L N 1.983 123.379 121.223 0.289 0.000 2.342 88 L HA 0.421 4.760 4.340 -0.000 0.000 0.271 88 L C -1.267 175.709 176.870 0.176 0.000 1.008 88 L CA -0.878 54.151 54.840 0.314 0.000 0.818 88 L CB 1.254 43.451 42.059 0.230 0.000 1.296 88 L HN 0.340 nan 8.230 nan 0.000 0.427 89 Y N 3.124 123.566 120.300 0.237 0.000 2.361 89 Y HA 0.363 4.913 4.550 -0.000 0.000 0.337 89 Y C -0.438 175.477 175.900 0.026 0.000 0.965 89 Y CA -0.654 57.528 58.100 0.137 0.000 1.091 89 Y CB 2.041 40.528 38.460 0.045 0.000 1.182 89 Y HN 0.291 nan 8.280 nan 0.000 0.450 90 L N 5.082 126.329 121.223 0.040 0.000 2.264 90 L HA 0.628 4.968 4.340 -0.000 0.000 0.287 90 L C -1.249 175.571 176.870 -0.084 0.000 1.039 90 L CA -0.467 54.263 54.840 -0.184 0.000 0.829 90 L CB 0.440 42.257 42.059 -0.404 0.000 1.211 90 L HN 0.420 nan 8.230 nan 0.000 0.427 91 V N 5.100 124.966 119.914 -0.080 0.000 2.370 91 V HA 0.681 4.801 4.120 -0.000 0.000 0.279 91 V C 0.800 176.806 176.094 -0.146 0.000 1.029 91 V CA -0.319 61.932 62.300 -0.081 0.000 0.870 91 V CB 1.109 32.888 31.823 -0.074 0.000 0.984 91 V HN 0.864 nan 8.190 nan 0.000 0.451 92 G N 3.889 112.598 108.800 -0.151 0.000 2.371 92 G HA2 0.607 4.567 3.960 -0.000 0.000 0.326 92 G HA3 0.607 4.567 3.960 -0.000 0.000 0.326 92 G C -0.061 174.662 174.900 -0.295 0.000 1.127 92 G CA -0.649 44.335 45.100 -0.195 0.000 0.885 92 G HN 0.655 nan 8.290 nan 0.000 0.477 93 R N 1.105 121.380 120.500 -0.376 0.000 2.772 93 R HA 0.332 4.671 4.340 -0.000 0.000 0.358 93 R C 0.986 177.068 176.300 -0.363 0.000 1.143 93 R CA 0.204 55.900 56.100 -0.672 0.000 1.153 93 R CB 0.893 30.616 30.300 -0.962 0.000 1.329 93 R HN 1.041 nan 8.270 nan 0.000 0.615 94 G N 0.778 109.354 108.800 -0.373 0.000 2.175 94 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 94 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 94 G C -0.149 174.495 174.900 -0.426 0.000 0.982 94 G CA 0.104 45.010 45.100 -0.325 0.000 0.641 94 G HN 0.456 nan 8.290 nan 0.000 0.527 95 D N 1.388 121.648 120.400 -0.234 0.000 2.363 95 D HA 0.310 4.950 4.640 -0.000 0.000 0.263 95 D C -0.385 175.781 176.300 -0.223 0.000 1.258 95 D CA -1.336 52.555 54.000 -0.181 0.000 0.907 95 D CB 1.168 41.973 40.800 0.008 0.000 1.107 95 D HN 0.252 nan 8.370 nan 0.000 0.495 96 P HA 0.025 nan 4.420 nan 0.000 0.257 96 P C 0.467 177.658 177.300 -0.182 0.000 1.281 96 P CA 0.347 63.260 63.100 -0.313 0.000 0.826 96 P CB 0.159 31.459 31.700 -0.668 0.000 1.237 97 T N -4.128 110.336 114.554 -0.150 0.000 3.132 97 T HA 0.145 4.495 4.350 -0.000 0.000 0.274 97 T C 0.561 175.381 174.700 0.200 0.000 1.011 97 T CA -0.421 61.634 62.100 -0.076 0.000 0.899 97 T CB -0.246 68.267 68.868 -0.592 0.000 1.089 97 T HN -0.096 nan 8.240 nan 0.000 0.543 98 L N 4.513 125.814 121.223 0.132 0.000 2.565 98 L HA 0.343 4.682 4.340 -0.000 0.000 0.275 98 L C 0.405 177.350 176.870 0.124 0.000 1.137 98 L CA 0.444 55.353 54.840 0.116 0.000 0.915 98 L CB -0.361 41.731 42.059 0.054 0.000 1.232 98 L HN 0.595 nan 8.230 nan 0.000 0.473 99 S N 3.887 119.650 115.700 0.106 0.000 2.730 99 S HA 0.553 5.023 4.470 -0.000 0.000 0.284 99 S C 1.218 175.833 174.600 0.025 0.000 1.153 99 S CA -0.189 58.060 58.200 0.082 0.000 0.995 99 S CB 1.561 64.809 63.200 0.080 0.000 1.058 99 S HN 0.685 nan 8.310 nan 0.000 0.552 100 A N 0.618 123.454 122.820 0.027 0.000 1.902 100 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 100 A C 2.085 179.672 177.584 0.005 0.000 1.181 100 A CA 1.545 53.596 52.037 0.023 0.000 0.623 100 A CB -1.166 17.850 19.000 0.027 0.000 0.818 100 A HN 0.932 nan 8.150 nan 0.000 0.443 101 E N -0.079 120.115 120.200 -0.011 0.000 2.085 101 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 101 E C 1.453 178.021 176.600 -0.055 0.000 0.994 101 E CA 1.244 57.629 56.400 -0.024 0.000 0.801 101 E CB -0.317 29.369 29.700 -0.023 0.000 0.743 101 E HN 0.549 nan 8.360 nan 0.000 0.453 102 D N 0.902 121.237 120.400 -0.108 0.000 2.123 102 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 102 D C 2.110 178.340 176.300 -0.116 0.000 0.992 102 D CA 0.828 54.675 54.000 -0.256 0.000 0.833 102 D CB -0.202 40.351 40.800 -0.413 0.000 0.954 102 D HN 0.178 nan 8.370 nan 0.000 0.455 103 L N 0.390 121.602 121.223 -0.019 0.000 2.131 103 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 103 L C 2.128 179.089 176.870 0.151 0.000 1.092 103 L CA 0.952 55.858 54.840 0.109 0.000 0.759 103 L CB -0.250 41.895 42.059 0.142 0.000 0.903 103 L HN -0.044 nan 8.230 nan 0.000 0.435 104 D N -0.005 120.426 120.400 0.053 0.000 2.084 104 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 104 D C 2.222 178.538 176.300 0.028 0.000 0.985 104 D CA 1.335 55.350 54.000 0.023 0.000 0.826 104 D CB 0.106 40.905 40.800 -0.002 0.000 0.978 104 D HN 0.200 nan 8.370 nan 0.000 0.456 105 A N 0.247 123.074 122.820 0.013 0.000 1.948 105 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 105 A C 2.322 179.939 177.584 0.056 0.000 1.177 105 A CA 1.782 53.830 52.037 0.018 0.000 0.636 105 A CB -0.670 18.326 19.000 -0.006 0.000 0.815 105 A HN 0.345 nan 8.150 nan 0.000 0.449 106 M N -1.006 118.652 119.600 0.097 0.000 2.200 106 M HA -0.094 4.386 4.480 -0.000 0.000 0.265 106 M C 2.542 178.980 176.300 0.230 0.000 1.066 106 M CA 1.309 56.714 55.300 0.176 0.000 1.127 106 M CB -0.495 32.230 32.600 0.208 0.000 1.379 106 M HN 0.489 nan 8.290 nan 0.000 0.420 107 A N 0.476 123.410 122.820 0.191 0.000 1.972 107 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 107 A C 2.350 179.921 177.584 -0.022 0.000 1.169 107 A CA 1.736 53.752 52.037 -0.036 0.000 0.635 107 A CB -0.690 18.182 19.000 -0.213 0.000 0.810 107 A HN 0.488 nan 8.150 nan 0.000 0.446 108 A N -0.177 122.650 122.820 0.011 0.000 1.930 108 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 108 A C 1.922 179.517 177.584 0.019 0.000 1.175 108 A CA 1.479 53.518 52.037 0.004 0.000 0.627 108 A CB -0.388 18.616 19.000 0.008 0.000 0.815 108 A HN 0.624 nan 8.150 nan 0.000 0.443 109 E N -0.272 119.954 120.200 0.044 0.000 2.072 109 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 109 E C 1.998 178.626 176.600 0.047 0.000 0.982 109 E CA 1.117 57.545 56.400 0.046 0.000 0.803 109 E CB -0.275 29.462 29.700 0.062 0.000 0.755 109 E HN 0.371 nan 8.360 nan 0.000 0.453 110 V N 1.706 121.660 119.914 0.067 0.000 2.282 110 V HA -0.322 3.797 4.120 -0.000 0.000 0.249 110 V C 2.359 178.467 176.094 0.023 0.000 1.057 110 V CA 2.081 64.419 62.300 0.062 0.000 1.032 110 V CB -0.739 31.132 31.823 0.080 0.000 0.645 110 V HN 0.330 nan 8.190 nan 0.000 0.447 111 A N -0.410 122.411 122.820 0.000 0.000 2.014 111 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 111 A C 2.134 179.717 177.584 -0.002 0.000 1.163 111 A CA 1.375 53.405 52.037 -0.011 0.000 0.652 111 A CB -0.469 18.515 19.000 -0.027 0.000 0.808 111 A HN 0.607 nan 8.150 nan 0.000 0.449 112 A N 0.104 122.928 122.820 0.006 0.000 2.276 112 A HA 0.297 4.617 4.320 -0.000 0.000 0.212 112 A C 1.485 179.075 177.584 0.010 0.000 1.230 112 A CA 1.022 53.063 52.037 0.007 0.000 0.844 112 A CB -0.561 18.446 19.000 0.011 0.000 0.860 112 A HN 0.892 nan 8.150 nan 0.000 0.486 113 S N -3.181 112.526 115.700 0.012 0.000 2.855 113 S HA 0.463 4.933 4.470 -0.000 0.000 0.249 113 S C 1.149 175.755 174.600 0.008 0.000 1.033 113 S CA 0.773 58.981 58.200 0.013 0.000 1.038 113 S CB -0.096 63.117 63.200 0.022 0.000 0.960 113 S HN 1.704 nan 8.310 nan 0.000 0.548 114 G N 0.888 109.690 108.800 0.004 0.000 2.241 114 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 114 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 114 G C 0.109 175.009 174.900 0.001 0.000 0.998 114 G CA -0.112 44.989 45.100 0.001 0.000 0.621 114 G HN 0.890 nan 8.290 nan 0.000 0.519 115 V N 0.799 120.716 119.914 0.005 0.000 2.599 115 V HA 0.457 4.577 4.120 -0.000 0.000 0.300 115 V C 1.424 177.513 176.094 -0.009 0.000 1.034 115 V CA 1.611 63.913 62.300 0.004 0.000 1.115 115 V CB 1.348 33.180 31.823 0.015 0.000 0.934 115 V HN 0.509 nan 8.190 nan 0.000 0.485 116 R N 1.615 122.109 120.500 -0.011 0.000 2.676 116 R HA 0.191 4.531 4.340 -0.000 0.000 0.241 116 R C -0.238 176.050 176.300 -0.021 0.000 0.964 116 R CA 0.215 56.304 56.100 -0.019 0.000 1.054 116 R CB 1.052 31.343 30.300 -0.014 0.000 1.603 116 R HN 0.771 nan 8.270 nan 0.000 0.577 117 T N 0.625 115.172 114.554 -0.012 0.000 3.109 117 T HA 0.293 4.643 4.350 -0.000 0.000 0.311 117 T C -1.174 173.527 174.700 0.002 0.000 1.011 117 T CA -0.407 61.687 62.100 -0.010 0.000 1.026 117 T CB 2.384 71.248 68.868 -0.006 0.000 1.047 117 T HN -0.193 nan 8.240 nan 0.000 0.448 118 V N 4.503 124.417 119.914 -0.001 0.000 2.304 118 V HA 0.235 4.355 4.120 -0.000 0.000 0.262 118 V C 1.555 177.661 176.094 0.020 0.000 1.061 118 V CA -0.443 61.868 62.300 0.019 0.000 0.872 118 V CB 0.634 32.465 31.823 0.014 0.000 1.077 118 V HN 0.650 nan 8.190 nan 0.000 0.480 119 R N 3.656 124.174 120.500 0.031 0.000 2.096 119 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 119 R C 1.480 177.805 176.300 0.042 0.000 1.127 119 R CA 1.467 57.585 56.100 0.031 0.000 0.968 119 R CB -0.416 29.904 30.300 0.034 0.000 0.861 119 R HN 0.765 nan 8.270 nan 0.000 0.440 120 G N -1.096 107.744 108.800 0.066 0.000 2.829 120 G HA2 0.142 4.102 3.960 -0.000 0.000 0.173 120 G HA3 0.142 4.102 3.960 -0.000 0.000 0.173 120 G C -0.673 174.251 174.900 0.041 0.000 1.476 120 G CA -0.368 44.783 45.100 0.084 0.000 1.072 120 G HN 0.177 nan 8.290 nan 0.000 0.577 121 D N -0.729 119.694 120.400 0.038 0.000 2.340 121 D HA 0.427 5.067 4.640 -0.000 0.000 0.243 121 D C -0.917 175.275 176.300 -0.181 0.000 0.988 121 D CA -0.429 53.494 54.000 -0.128 0.000 0.959 121 D CB 2.519 43.134 40.800 -0.307 0.000 1.226 121 D HN 0.148 nan 8.370 nan 0.000 0.509 122 L N 1.439 122.495 121.223 -0.279 0.000 2.282 122 L HA 0.339 4.679 4.340 -0.000 0.000 0.288 122 L C -1.600 175.016 176.870 -0.422 0.000 1.033 122 L CA -0.370 54.353 54.840 -0.195 0.000 0.807 122 L CB 0.297 42.324 42.059 -0.053 0.000 1.209 122 L HN 0.233 nan 8.230 nan 0.000 0.423 123 Y N 3.599 123.703 120.300 -0.326 0.000 2.377 123 Y HA 0.706 5.256 4.550 -0.000 0.000 0.339 123 Y C 0.292 176.079 175.900 -0.188 0.000 1.011 123 Y CA -0.704 57.172 58.100 -0.374 0.000 1.093 123 Y CB 2.029 39.950 38.460 -0.899 0.000 1.201 123 Y HN 0.730 nan 8.280 nan 0.000 0.455 124 A N 2.733 125.589 122.820 0.060 0.000 2.280 124 A HA 0.331 4.651 4.320 -0.000 0.000 0.320 124 A C -1.017 176.617 177.584 0.083 0.000 1.366 124 A CA -0.528 51.531 52.037 0.037 0.000 0.938 124 A CB -0.009 18.997 19.000 0.010 0.000 1.157 124 A HN 0.640 nan 8.150 nan 0.000 0.536 125 D N 2.867 123.317 120.400 0.083 0.000 2.412 125 D HA 0.239 4.879 4.640 -0.000 0.000 0.224 125 D C -0.481 175.830 176.300 0.018 0.000 1.093 125 D CA -0.293 53.756 54.000 0.082 0.000 0.850 125 D CB 1.069 41.940 40.800 0.119 0.000 1.046 125 D HN 0.542 nan 8.370 nan 0.000 0.507 126 D N 1.596 122.009 120.400 0.023 0.000 2.593 126 D HA -0.049 4.591 4.640 -0.000 0.000 0.241 126 D C 1.028 177.350 176.300 0.038 0.000 1.257 126 D CA -0.172 53.827 54.000 -0.003 0.000 0.828 126 D CB -0.283 40.518 40.800 0.002 0.000 1.049 126 D HN 0.318 nan 8.370 nan 0.000 0.490 127 T N -4.092 110.498 114.554 0.061 0.000 3.113 127 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 127 T C 1.425 176.209 174.700 0.139 0.000 1.143 127 T CA -0.126 62.021 62.100 0.078 0.000 1.090 127 T CB -0.866 68.032 68.868 0.050 0.000 0.922 127 T HN 0.409 nan 8.240 nan 0.000 0.521 128 W N 0.909 122.149 121.300 -0.100 0.000 2.350 128 W HA 0.038 4.697 4.660 -0.000 0.000 0.289 128 W C -0.623 175.958 176.519 0.104 0.000 1.215 128 W CA 0.198 57.485 57.345 -0.097 0.000 1.236 128 W CB 0.078 29.364 29.460 -0.290 0.000 1.130 128 W HN 0.141 nan 8.180 nan 0.000 0.541 129 F N 1.349 121.278 119.950 -0.036 0.000 2.557 129 F HA 0.187 4.714 4.527 -0.000 0.000 0.336 129 F C 0.565 176.272 175.800 -0.155 0.000 1.058 129 F CA -2.156 55.728 58.000 -0.194 0.000 0.988 129 F CB -0.202 38.690 39.000 -0.181 0.000 1.275 129 F HN -0.234 nan 8.300 nan 0.000 0.488 130 D N -1.224 119.166 120.400 -0.018 0.000 2.360 130 D HA 0.082 4.722 4.640 -0.000 0.000 0.242 130 D C 0.697 176.987 176.300 -0.017 0.000 1.184 130 D CA -0.250 53.722 54.000 -0.046 0.000 0.930 130 D CB 0.500 41.239 40.800 -0.100 0.000 1.161 130 D HN 0.375 nan 8.370 nan 0.000 0.447 131 S N -1.135 114.566 115.700 0.002 0.000 2.607 131 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 131 S C 0.745 175.363 174.600 0.031 0.000 0.969 131 S CA -0.237 57.978 58.200 0.025 0.000 0.927 131 S CB -0.554 62.666 63.200 0.032 0.000 0.772 131 S HN 0.667 nan 8.310 nan 0.000 0.533 132 E N 2.070 122.281 120.200 0.018 0.000 2.161 132 E HA 0.042 4.392 4.350 -0.000 0.000 0.263 132 E C 0.731 177.411 176.600 0.134 0.000 1.185 132 E CA -0.422 56.030 56.400 0.087 0.000 0.938 132 E CB 0.316 30.099 29.700 0.139 0.000 1.023 132 E HN 0.180 nan 8.360 nan 0.000 0.433 133 R N 3.110 123.696 120.500 0.144 0.000 2.115 133 R HA 0.109 4.449 4.340 -0.000 0.000 0.226 133 R C 0.490 176.962 176.300 0.287 0.000 1.100 133 R CA 0.719 56.928 56.100 0.183 0.000 0.980 133 R CB -0.343 30.044 30.300 0.146 0.000 0.875 133 R HN 0.452 nan 8.270 nan 0.000 0.445 134 L N -0.436 120.895 121.223 0.181 0.000 2.350 134 L HA 0.413 4.753 4.340 -0.000 0.000 0.260 134 L C -0.333 176.160 176.870 -0.630 0.000 1.015 134 L CA -1.166 53.617 54.840 -0.095 0.000 0.821 134 L CB 2.436 44.562 42.059 0.112 0.000 1.370 134 L HN -0.347 nan 8.230 nan 0.000 0.416 135 V N 1.194 120.105 119.914 -1.672 0.000 2.686 135 V HA -0.004 4.116 4.120 -0.000 0.000 0.295 135 V C 0.681 176.269 176.094 -0.843 0.000 1.055 135 V CA -0.102 61.184 62.300 -1.690 0.000 1.050 135 V CB 1.214 31.593 31.823 -2.407 0.000 0.984 135 V HN 0.995 nan 8.190 nan 0.000 0.482 136 D N 3.713 123.796 120.400 -0.530 0.000 2.126 136 D HA -0.261 4.379 4.640 -0.000 0.000 0.190 136 D C 1.092 177.307 176.300 -0.143 0.000 1.001 136 D CA 1.943 55.794 54.000 -0.249 0.000 0.841 136 D CB -0.419 40.274 40.800 -0.179 0.000 0.949 136 D HN 0.768 nan 8.370 nan 0.000 0.446 137 D N -1.493 118.815 120.400 -0.154 0.000 2.434 137 D HA -0.041 4.599 4.640 -0.000 0.000 0.232 137 D C -0.435 175.921 176.300 0.093 0.000 1.166 137 D CA -0.639 53.357 54.000 -0.007 0.000 0.830 137 D CB -0.829 39.959 40.800 -0.020 0.000 0.960 137 D HN 0.176 nan 8.370 nan 0.000 0.497 138 W N 0.897 122.111 121.300 -0.144 0.000 2.313 138 W HA 0.275 4.935 4.660 -0.000 0.000 0.328 138 W C 0.447 176.977 176.519 0.018 0.000 1.197 138 W CA -1.380 55.861 57.345 -0.174 0.000 1.235 138 W CB 0.309 29.699 29.460 -0.116 0.000 1.158 138 W HN -0.028 nan 8.180 nan 0.000 0.578 139 W N 4.953 126.380 121.300 0.211 0.000 2.287 139 W HA 0.150 4.810 4.660 -0.000 0.000 0.313 139 W C -1.081 175.512 176.519 0.122 0.000 1.267 139 W CA -2.501 54.922 57.345 0.132 0.000 1.201 139 W CB -0.281 29.236 29.460 0.095 0.000 1.196 139 W HN 0.224 nan 8.180 nan 0.000 0.536 140 P HA -0.167 nan 4.420 nan 0.000 0.225 140 P C 0.616 178.009 177.300 0.154 0.000 1.148 140 P CA 1.514 64.729 63.100 0.192 0.000 0.779 140 P CB 0.471 32.252 31.700 0.135 0.000 0.780 141 E N 0.188 120.506 120.200 0.197 0.000 2.208 141 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 141 E C 1.437 178.179 176.600 0.237 0.000 0.988 141 E CA 0.936 57.438 56.400 0.170 0.000 0.828 141 E CB -0.541 29.241 29.700 0.136 0.000 0.763 141 E HN 0.294 nan 8.360 nan 0.000 0.478 142 D N 0.444 121.017 120.400 0.288 0.000 2.349 142 D HA -0.045 4.595 4.640 -0.000 0.000 0.215 142 D C 1.111 177.381 176.300 -0.049 0.000 1.016 142 D CA 0.227 54.398 54.000 0.285 0.000 0.870 142 D CB 0.032 41.043 40.800 0.350 0.000 0.917 142 D HN 0.298 nan 8.370 nan 0.000 0.524 143 E N 0.992 121.169 120.200 -0.038 0.000 2.130 143 E HA -0.163 4.186 4.350 -0.000 0.000 0.196 143 E C -0.716 175.724 176.600 -0.266 0.000 0.998 143 E CA 0.958 57.296 56.400 -0.103 0.000 0.806 143 E CB -0.743 28.952 29.700 -0.009 0.000 0.738 143 E HN 0.374 nan 8.360 nan 0.000 0.459 144 P HA -0.126 nan 4.420 nan 0.000 0.233 144 P C -0.225 176.600 177.300 -0.793 0.000 1.167 144 P CA 0.941 63.654 63.100 -0.645 0.000 0.770 144 P CB -0.030 31.223 31.700 -0.745 0.000 0.837 145 Y N -0.692 119.463 120.300 -0.242 0.000 2.352 145 Y HA 0.480 5.030 4.550 -0.000 0.000 0.326 145 Y C 2.114 177.792 175.900 -0.371 0.000 1.166 145 Y CA -0.847 57.074 58.100 -0.299 0.000 1.182 145 Y CB 0.366 38.620 38.460 -0.343 0.000 1.216 145 Y HN -0.192 nan 8.280 nan 0.000 0.474 146 A N 2.361 125.158 122.820 -0.039 0.000 1.915 146 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 146 A C 1.829 179.394 177.584 -0.032 0.000 1.198 146 A CA 2.444 54.470 52.037 -0.018 0.000 0.647 146 A CB -1.538 17.495 19.000 0.054 0.000 0.825 146 A HN 0.985 nan 8.150 nan 0.000 0.456 147 Y N -1.657 118.663 120.300 0.034 0.000 2.465 147 Y HA 0.090 4.640 4.550 -0.000 0.000 0.289 147 Y C 1.871 177.696 175.900 -0.125 0.000 1.150 147 Y CA 1.083 59.161 58.100 -0.036 0.000 1.293 147 Y CB -0.667 37.754 38.460 -0.065 0.000 0.977 147 Y HN 0.187 nan 8.280 nan 0.000 0.556 148 S N 0.378 115.787 115.700 -0.485 0.000 2.601 148 S HA 0.607 5.077 4.470 -0.000 0.000 0.244 148 S C 0.632 175.183 174.600 -0.082 0.000 1.001 148 S CA -0.259 57.711 58.200 -0.383 0.000 0.984 148 S CB -1.045 61.862 63.200 -0.488 0.000 0.842 148 S HN 0.621 nan 8.310 nan 0.000 0.474 149 A N 1.338 124.155 122.820 -0.006 0.000 2.483 149 A HA 0.314 4.634 4.320 -0.000 0.000 0.238 149 A C 0.391 178.103 177.584 0.214 0.000 1.070 149 A CA 0.059 52.148 52.037 0.085 0.000 0.770 149 A CB 0.121 19.177 19.000 0.094 0.000 1.008 149 A HN 0.694 nan 8.150 nan 0.000 0.497 150 Q N 0.242 120.156 119.800 0.191 0.000 2.392 150 Q HA 0.228 4.568 4.340 -0.000 0.000 0.262 150 Q C -0.441 175.697 176.000 0.231 0.000 1.003 150 Q CA -0.043 55.899 55.803 0.231 0.000 0.888 150 Q CB 0.587 29.423 28.738 0.164 0.000 1.260 150 Q HN 0.553 nan 8.270 nan 0.000 0.435 151 I N 1.458 122.176 120.570 0.247 0.000 2.331 151 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 151 I C 0.136 176.335 176.117 0.136 0.000 0.998 151 I CA 0.273 61.683 61.300 0.183 0.000 1.267 151 I CB 0.974 39.037 38.000 0.106 0.000 1.386 151 I HN 0.489 nan 8.210 nan 0.000 0.476 152 S N 3.627 119.433 115.700 0.177 0.000 2.618 152 S HA 0.726 5.196 4.470 -0.000 0.000 0.277 152 S C 0.544 175.232 174.600 0.147 0.000 1.138 152 S CA 0.041 58.339 58.200 0.164 0.000 0.844 152 S CB 1.895 65.145 63.200 0.084 0.000 1.127 152 S HN 0.652 nan 8.310 nan 0.000 0.474 153 A N 1.747 124.518 122.820 -0.083 0.000 2.072 153 A HA 0.373 4.693 4.320 -0.000 0.000 0.216 153 A C 0.472 177.878 177.584 -0.297 0.000 1.156 153 A CA 0.397 52.080 52.037 -0.591 0.000 0.701 153 A CB -0.144 18.456 19.000 -0.665 0.000 0.816 153 A HN 0.655 nan 8.150 nan 0.000 0.458 154 L N 0.368 121.509 121.223 -0.137 0.000 2.372 154 L HA 0.587 4.927 4.340 -0.000 0.000 0.274 154 L C -1.155 175.687 176.870 -0.046 0.000 0.988 154 L CA 0.151 54.930 54.840 -0.101 0.000 0.833 154 L CB 1.601 43.605 42.059 -0.091 0.000 1.236 154 L HN 0.175 nan 8.230 nan 0.000 0.410 155 T N 3.332 117.868 114.554 -0.030 0.000 2.885 155 T HA 0.517 4.867 4.350 -0.000 0.000 0.322 155 T C -1.417 173.299 174.700 0.027 0.000 1.387 155 T CA -0.276 61.829 62.100 0.009 0.000 1.041 155 T CB 1.756 70.653 68.868 0.048 0.000 1.287 155 T HN 0.230 nan 8.240 nan 0.000 0.491 156 V N 3.046 122.987 119.914 0.044 0.000 2.481 156 V HA 0.794 4.914 4.120 -0.000 0.000 0.286 156 V C 0.718 176.889 176.094 0.128 0.000 1.042 156 V CA -0.592 61.751 62.300 0.072 0.000 0.928 156 V CB 1.118 32.976 31.823 0.058 0.000 0.986 156 V HN 1.121 nan 8.190 nan 0.000 0.462 157 A N 3.185 126.110 122.820 0.176 0.000 2.312 157 A HA 0.668 4.988 4.320 -0.000 0.000 0.326 157 A C -0.635 177.073 177.584 0.207 0.000 1.172 157 A CA -0.443 51.746 52.037 0.253 0.000 0.821 157 A CB 0.392 19.640 19.000 0.413 0.000 1.166 157 A HN 1.043 nan 8.150 nan 0.000 0.493 158 H N 0.984 120.104 119.070 0.083 0.000 2.457 158 H HA 0.556 5.112 4.556 -0.000 0.000 0.335 158 H C 0.699 175.988 175.328 -0.065 0.000 1.115 158 H CA 0.953 57.008 56.048 0.012 0.000 1.219 158 H CB 1.078 30.851 29.762 0.018 0.000 1.471 158 H HN 1.620 nan 8.280 nan 0.000 0.491 159 G N 3.385 111.753 108.800 -0.720 0.000 2.804 159 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.230 159 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.230 159 G C 0.694 175.295 174.900 -0.497 0.000 1.386 159 G CA 0.217 44.986 45.100 -0.552 0.000 0.875 159 G HN 0.912 nan 8.290 nan 0.000 0.557 160 E N -0.512 119.476 120.200 -0.353 0.000 2.511 160 E HA 0.086 4.436 4.350 -0.000 0.000 0.196 160 E C 1.880 178.373 176.600 -0.178 0.000 1.066 160 E CA 0.682 56.873 56.400 -0.348 0.000 0.871 160 E CB 0.087 29.761 29.700 -0.043 0.000 0.863 160 E HN 0.536 nan 8.360 nan 0.000 0.520 161 R N 0.117 120.526 120.500 -0.152 0.000 2.362 161 R HA 0.157 4.497 4.340 -0.000 0.000 0.227 161 R C -0.574 175.889 176.300 0.272 0.000 0.905 161 R CA -0.229 55.923 56.100 0.087 0.000 1.067 161 R CB -0.079 30.072 30.300 -0.248 0.000 1.078 161 R HN 0.081 nan 8.270 nan 0.000 0.516 162 F N 1.878 121.959 119.950 0.218 0.000 2.773 162 F HA -0.239 4.288 4.527 -0.000 0.000 0.251 162 F C -0.632 175.317 175.800 0.249 0.000 1.020 162 F CA 0.361 58.517 58.000 0.260 0.000 0.924 162 F CB -1.576 37.656 39.000 0.387 0.000 0.919 162 F HN 0.080 nan 8.300 nan 0.000 0.846 163 D N 1.295 121.853 120.400 0.263 0.000 2.336 163 D HA 0.184 4.823 4.640 -0.000 0.000 0.249 163 D C 0.904 177.342 176.300 0.231 0.000 1.213 163 D CA 0.227 54.349 54.000 0.205 0.000 0.870 163 D CB 1.023 41.911 40.800 0.147 0.000 1.076 163 D HN 0.375 nan 8.370 nan 0.000 0.483 164 T N -1.683 113.015 114.554 0.240 0.000 2.904 164 T HA 0.424 4.774 4.350 -0.000 0.000 0.290 164 T C 1.317 176.103 174.700 0.144 0.000 1.018 164 T CA -0.201 62.024 62.100 0.207 0.000 1.075 164 T CB 1.525 70.530 68.868 0.230 0.000 0.986 164 T HN 0.539 nan 8.240 nan 0.000 0.523 165 G N 0.531 109.401 108.800 0.116 0.000 2.258 165 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.274 165 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.274 165 G C 0.135 175.073 174.900 0.062 0.000 1.021 165 G CA 0.445 45.597 45.100 0.086 0.000 0.798 165 G HN 1.859 nan 8.290 nan 0.000 0.507 166 V N -4.172 115.774 119.914 0.053 0.000 3.074 166 V HA 0.986 5.106 4.120 -0.000 0.000 0.314 166 V C -0.010 176.075 176.094 -0.015 0.000 1.117 166 V CA -0.169 62.135 62.300 0.007 0.000 1.014 166 V CB 2.110 33.921 31.823 -0.021 0.000 1.057 166 V HN 0.705 nan 8.190 nan 0.000 0.438 167 T N 0.738 115.263 114.554 -0.049 0.000 2.907 167 T HA 0.492 4.842 4.350 -0.000 0.000 0.292 167 T C -0.884 173.735 174.700 -0.135 0.000 1.043 167 T CA -0.360 61.708 62.100 -0.054 0.000 1.003 167 T CB 1.677 70.547 68.868 0.005 0.000 1.084 167 T HN 1.131 nan 8.240 nan 0.000 0.483 168 E N 3.053 123.161 120.200 -0.153 0.000 2.115 168 E HA 0.525 4.874 4.350 -0.000 0.000 0.282 168 E C -0.987 175.583 176.600 -0.051 0.000 0.987 168 E CA -0.631 55.671 56.400 -0.164 0.000 0.797 168 E CB 0.681 30.286 29.700 -0.158 0.000 1.086 168 E HN 0.378 nan 8.360 nan 0.000 0.397 169 V N 4.065 123.953 119.914 -0.042 0.000 2.481 169 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 169 V C 0.023 176.115 176.094 -0.003 0.000 1.042 169 V CA -0.460 61.832 62.300 -0.014 0.000 0.928 169 V CB 1.428 33.244 31.823 -0.012 0.000 0.986 169 V HN 0.744 nan 8.190 nan 0.000 0.462 170 S N 4.359 120.063 115.700 0.005 0.000 2.532 170 S HA 0.750 5.220 4.470 -0.000 0.000 0.299 170 S C -1.153 173.452 174.600 0.009 0.000 1.105 170 S CA -0.575 57.631 58.200 0.010 0.000 1.018 170 S CB 1.837 65.046 63.200 0.015 0.000 1.021 170 S HN 0.435 nan 8.310 nan 0.000 0.483 171 V N 4.162 124.082 119.914 0.009 0.000 2.349 171 V HA 0.460 4.580 4.120 -0.000 0.000 0.284 171 V C -0.209 175.890 176.094 0.008 0.000 1.014 171 V CA -0.495 61.810 62.300 0.008 0.000 0.826 171 V CB 1.417 33.245 31.823 0.008 0.000 1.009 171 V HN 1.016 nan 8.190 nan 0.000 0.431 172 T N 7.998 122.557 114.554 0.008 0.000 2.767 172 T HA 0.446 4.796 4.350 -0.000 0.000 0.284 172 T C -2.494 172.210 174.700 0.006 0.000 0.973 172 T CA -1.155 60.949 62.100 0.007 0.000 0.996 172 T CB 1.868 70.740 68.868 0.008 0.000 0.927 172 T HN 0.457 nan 8.240 nan 0.000 0.456 173 P HA 0.453 nan 4.420 nan 0.000 0.274 173 P C -0.610 176.692 177.300 0.004 0.000 1.231 173 P CA -0.379 62.724 63.100 0.005 0.000 0.790 173 P CB 1.053 32.756 31.700 0.005 0.000 0.951 174 A N 2.249 125.071 122.820 0.004 0.000 3.687 174 A HA 0.761 5.081 4.320 -0.000 0.000 0.164 174 A C 0.017 177.602 177.584 0.003 0.000 1.564 174 A CA -0.309 51.730 52.037 0.003 0.000 0.896 174 A CB -0.288 18.714 19.000 0.003 0.000 1.731 174 A HN 0.576 nan 8.150 nan 0.000 0.607 175 A N -0.309 122.512 122.820 0.002 0.000 2.316 175 A HA 0.495 4.815 4.320 -0.000 0.000 0.284 175 A C 0.253 177.838 177.584 0.002 0.000 1.115 175 A CA -0.217 51.822 52.037 0.002 0.000 0.812 175 A CB -0.187 18.814 19.000 0.002 0.000 1.064 175 A HN 0.737 nan 8.150 nan 0.000 0.489 176 E N 0.540 120.741 120.200 0.002 0.000 2.966 176 E HA 0.141 4.490 4.350 -0.000 0.000 0.254 176 E C 1.315 177.916 176.600 0.001 0.000 0.923 176 E CA 1.390 57.791 56.400 0.002 0.000 0.960 176 E CB -0.156 29.545 29.700 0.001 0.000 0.901 176 E HN 1.482 nan 8.360 nan 0.000 0.525 177 G N 3.662 112.463 108.800 0.001 0.000 2.258 177 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.233 177 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.233 177 G C -0.046 174.854 174.900 0.001 0.000 1.006 177 G CA 0.307 45.408 45.100 0.001 0.000 0.620 177 G HN 0.615 nan 8.290 nan 0.000 0.511 178 E N 2.537 122.738 120.200 0.001 0.000 2.349 178 E HA 0.456 4.806 4.350 -0.000 0.000 0.262 178 E C -2.170 174.431 176.600 0.001 0.000 1.088 178 E CA -1.735 54.665 56.400 0.001 0.000 0.899 178 E CB 1.037 30.738 29.700 0.001 0.000 1.044 178 E HN 0.271 nan 8.360 nan 0.000 0.420 179 P HA -0.010 nan 4.420 nan 0.000 0.271 179 P C -1.034 176.268 177.300 0.002 0.000 1.233 179 P CA -0.058 63.042 63.100 0.001 0.000 0.789 179 P CB 0.569 32.270 31.700 0.000 0.000 0.951 180 A N 0.864 123.686 122.820 0.002 0.000 2.279 180 A HA 0.372 4.692 4.320 -0.000 0.000 0.303 180 A C -0.158 177.428 177.584 0.003 0.000 1.108 180 A CA -0.328 51.711 52.037 0.003 0.000 0.830 180 A CB 0.016 19.018 19.000 0.004 0.000 1.106 180 A HN 0.526 nan 8.150 nan 0.000 0.493 181 D N 0.231 120.634 120.400 0.004 0.000 2.198 181 D HA 0.479 5.119 4.640 -0.000 0.000 0.245 181 D C -1.074 175.229 176.300 0.006 0.000 1.079 181 D CA 0.128 54.131 54.000 0.005 0.000 0.854 181 D CB 1.225 42.029 40.800 0.006 0.000 1.148 181 D HN 0.152 nan 8.370 nan 0.000 0.456 182 V N 3.878 123.795 119.914 0.005 0.000 2.447 182 V HA 0.290 4.409 4.120 -0.000 0.000 0.292 182 V C -0.802 175.296 176.094 0.008 0.000 1.021 182 V CA -0.891 61.413 62.300 0.005 0.000 0.850 182 V CB 1.611 33.435 31.823 0.002 0.000 1.005 182 V HN 0.538 nan 8.190 nan 0.000 0.426 183 D N 3.923 124.329 120.400 0.011 0.000 2.198 183 D HA 0.446 5.086 4.640 -0.000 0.000 0.245 183 D C 0.460 176.769 176.300 0.015 0.000 1.079 183 D CA -0.495 53.514 54.000 0.015 0.000 0.854 183 D CB 2.060 42.872 40.800 0.019 0.000 1.148 183 D HN 0.227 nan 8.370 nan 0.000 0.456 184 L N 2.030 123.264 121.223 0.019 0.000 2.592 184 L HA 0.278 4.618 4.340 -0.000 0.000 0.227 184 L C 1.455 178.343 176.870 0.029 0.000 1.127 184 L CA 0.647 55.499 54.840 0.019 0.000 0.884 184 L CB -1.120 40.951 42.059 0.019 0.000 1.065 184 L HN 0.761 nan 8.230 nan 0.000 0.457 185 G N -0.086 108.736 108.800 0.037 0.000 2.566 185 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.280 185 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.280 185 G C 1.134 176.077 174.900 0.072 0.000 1.225 185 G CA 0.578 45.709 45.100 0.050 0.000 0.966 185 G HN 0.439 nan 8.290 nan 0.000 0.560 186 A N -0.619 122.251 122.820 0.083 0.000 1.948 186 A HA 0.205 4.525 4.320 -0.000 0.000 0.220 186 A C 3.017 180.679 177.584 0.131 0.000 1.177 186 A CA 3.679 55.780 52.037 0.106 0.000 0.636 186 A CB -1.067 17.992 19.000 0.099 0.000 0.815 186 A HN 2.401 nan 8.150 nan 0.000 0.449 187 A N -0.432 122.449 122.820 0.101 0.000 2.178 187 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 187 A C 1.060 178.699 177.584 0.091 0.000 1.157 187 A CA 1.163 53.274 52.037 0.124 0.000 0.689 187 A CB -0.441 18.621 19.000 0.103 0.000 0.787 187 A HN 0.543 nan 8.150 nan 0.000 0.465 188 E N -0.371 119.882 120.200 0.088 0.000 2.585 188 E HA 0.305 4.655 4.350 -0.000 0.000 0.252 188 E C 1.212 177.865 176.600 0.087 0.000 0.981 188 E CA 1.139 57.583 56.400 0.073 0.000 0.943 188 E CB -0.393 29.357 29.700 0.083 0.000 0.923 188 E HN 0.797 nan 8.360 nan 0.000 0.486 189 G N 3.297 112.103 108.800 0.010 0.000 2.195 189 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.246 189 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.246 189 G C 0.496 175.231 174.900 -0.275 0.000 0.984 189 G CA 0.467 45.553 45.100 -0.024 0.000 0.633 189 G HN 0.623 nan 8.290 nan 0.000 0.525 190 Y N 0.657 120.676 120.300 -0.468 0.000 2.673 190 Y HA 0.713 5.263 4.550 -0.000 0.000 0.278 190 Y C 1.511 177.288 175.900 -0.205 0.000 1.127 190 Y CA 1.322 59.144 58.100 -0.463 0.000 1.261 190 Y CB 0.157 38.309 38.460 -0.514 0.000 1.412 190 Y HN 0.677 nan 8.280 nan 0.000 0.496 191 A N 1.284 123.991 122.820 -0.188 0.000 2.303 191 A HA 0.465 4.785 4.320 -0.000 0.000 0.317 191 A C -0.552 176.948 177.584 -0.140 0.000 1.149 191 A CA -0.581 51.333 52.037 -0.205 0.000 0.822 191 A CB 0.339 19.304 19.000 -0.058 0.000 1.131 191 A HN 0.456 nan 8.150 nan 0.000 0.493 192 E N -0.016 120.101 120.200 -0.138 0.000 2.301 192 E HA 0.395 4.745 4.350 -0.000 0.000 0.275 192 E C -1.124 175.438 176.600 -0.062 0.000 1.030 192 E CA -0.438 55.906 56.400 -0.093 0.000 0.852 192 E CB 1.463 31.107 29.700 -0.094 0.000 1.060 192 E HN 0.453 nan 8.360 nan 0.000 0.401 193 L N 2.315 123.511 121.223 -0.045 0.000 2.322 193 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 193 L C -1.146 175.708 176.870 -0.027 0.000 1.014 193 L CA -0.178 54.643 54.840 -0.031 0.000 0.815 193 L CB 1.678 43.725 42.059 -0.020 0.000 1.247 193 L HN 0.446 nan 8.230 nan 0.000 0.421 194 D N 2.627 123.013 120.400 -0.023 0.000 2.441 194 D HA 0.227 4.867 4.640 -0.000 0.000 0.287 194 D C -0.913 175.379 176.300 -0.013 0.000 1.198 194 D CA -0.279 53.710 54.000 -0.019 0.000 0.894 194 D CB 0.274 41.062 40.800 -0.021 0.000 1.070 194 D HN 0.466 nan 8.370 nan 0.000 0.499 195 N N 1.658 120.352 118.700 -0.010 0.000 2.430 195 N HA 0.219 4.959 4.740 -0.000 0.000 0.265 195 N C 0.303 175.810 175.510 -0.005 0.000 1.100 195 N CA -0.061 52.985 53.050 -0.006 0.000 0.961 195 N CB 0.650 39.134 38.487 -0.005 0.000 1.075 195 N HN 0.256 nan 8.380 nan 0.000 0.478 196 R N 1.718 122.216 120.500 -0.003 0.000 2.521 196 R HA 0.298 4.638 4.340 -0.000 0.000 0.289 196 R C -0.041 176.259 176.300 -0.000 0.000 0.936 196 R CA -0.352 55.746 56.100 -0.002 0.000 1.089 196 R CB -0.142 30.157 30.300 -0.003 0.000 1.348 196 R HN 0.494 nan 8.270 nan 0.000 0.536 197 A N 1.815 124.636 122.820 0.001 0.000 2.425 197 A HA 0.419 4.739 4.320 -0.000 0.000 0.242 197 A C 0.710 178.295 177.584 0.002 0.000 1.077 197 A CA -0.157 51.881 52.037 0.002 0.000 0.781 197 A CB 0.418 19.421 19.000 0.004 0.000 1.020 197 A HN 0.070 nan 8.150 nan 0.000 0.494 198 V N -1.149 118.766 119.914 0.002 0.000 3.156 198 V HA 0.852 4.972 4.120 -0.000 0.000 0.311 198 V C -0.145 175.951 176.094 0.003 0.000 1.208 198 V CA -0.648 61.653 62.300 0.002 0.000 1.063 198 V CB 1.478 33.302 31.823 0.001 0.000 1.098 198 V HN 0.801 nan 8.190 nan 0.000 0.452 199 T N 1.546 116.101 114.554 0.002 0.000 2.767 199 T HA 0.706 5.056 4.350 -0.000 0.000 0.284 199 T C 0.359 175.061 174.700 0.002 0.000 0.973 199 T CA 0.375 62.477 62.100 0.003 0.000 0.996 199 T CB 0.977 69.847 68.868 0.003 0.000 0.927 199 T HN 1.290 nan 8.240 nan 0.000 0.456 200 G N 1.296 110.097 108.800 0.002 0.000 2.543 200 G HA2 0.627 4.587 3.960 -0.000 0.000 0.290 200 G HA3 0.627 4.587 3.960 -0.000 0.000 0.290 200 G C -0.011 174.891 174.900 0.002 0.000 1.310 200 G CA -0.819 44.282 45.100 0.002 0.000 1.025 200 G HN 0.964 nan 8.290 nan 0.000 0.502 201 A N -0.837 121.984 122.820 0.001 0.000 2.406 201 A HA 0.596 4.916 4.320 -0.000 0.000 0.243 201 A C 0.961 178.546 177.584 0.002 0.000 1.082 201 A CA 0.391 52.429 52.037 0.001 0.000 0.786 201 A CB -0.103 18.897 19.000 0.001 0.000 1.029 201 A HN 1.841 nan 8.150 nan 0.000 0.495 202 A N 0.179 123.000 122.820 0.002 0.000 2.492 202 A HA 0.495 4.815 4.320 -0.000 0.000 0.254 202 A C 1.536 179.120 177.584 0.002 0.000 1.091 202 A CA 0.737 52.776 52.037 0.002 0.000 0.768 202 A CB -0.842 18.159 19.000 0.002 0.000 1.028 202 A HN 2.727 nan 8.150 nan 0.000 0.498 203 G N 1.696 110.497 108.800 0.002 0.000 2.217 203 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.246 203 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.246 203 G C 0.723 175.624 174.900 0.001 0.000 0.990 203 G CA 0.801 45.902 45.100 0.001 0.000 0.627 203 G HN 2.056 nan 8.290 nan 0.000 0.522 204 S N 0.355 116.055 115.700 0.001 0.000 2.606 204 S HA 0.690 5.160 4.470 -0.000 0.000 0.257 204 S C 0.783 175.383 174.600 0.001 0.000 1.327 204 S CA 0.491 58.691 58.200 0.001 0.000 0.984 204 S CB 1.489 64.689 63.200 0.001 0.000 0.941 204 S HN 1.939 nan 8.310 nan 0.000 0.576 205 A N 1.324 124.145 122.820 0.001 0.000 2.388 205 A HA 0.358 4.678 4.320 -0.000 0.000 0.257 205 A C 0.450 178.035 177.584 0.002 0.000 1.095 205 A CA -0.602 51.435 52.037 0.001 0.000 0.791 205 A CB -0.270 18.731 19.000 0.001 0.000 1.029 205 A HN 0.804 nan 8.150 nan 0.000 0.489 206 N N 1.603 120.304 118.700 0.002 0.000 2.401 206 N HA 0.140 4.880 4.740 -0.000 0.000 0.255 206 N C 0.471 175.983 175.510 0.004 0.000 1.110 206 N CA 0.676 53.728 53.050 0.003 0.000 0.949 206 N CB 0.738 39.227 38.487 0.004 0.000 1.110 206 N HN 0.647 nan 8.380 nan 0.000 0.490 207 T N 1.102 115.659 114.554 0.005 0.000 3.252 207 T HA 0.159 4.509 4.350 -0.000 0.000 0.286 207 T C 0.586 175.291 174.700 0.009 0.000 1.013 207 T CA -0.557 61.547 62.100 0.006 0.000 0.914 207 T CB -0.217 68.653 68.868 0.005 0.000 1.131 207 T HN 0.238 nan 8.240 nan 0.000 0.529 208 L N 2.453 123.682 121.223 0.010 0.000 2.485 208 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 208 L C -0.648 176.234 176.870 0.019 0.000 1.207 208 L CA 0.234 55.082 54.840 0.013 0.000 0.855 208 L CB 0.725 42.792 42.059 0.012 0.000 1.114 208 L HN 0.182 nan 8.230 nan 0.000 0.485 209 V N 6.686 126.613 119.914 0.022 0.000 2.612 209 V HA 0.418 4.538 4.120 -0.000 0.000 0.301 209 V C -0.339 175.774 176.094 0.033 0.000 1.059 209 V CA -0.464 61.856 62.300 0.033 0.000 0.886 209 V CB 1.760 33.602 31.823 0.033 0.000 1.007 209 V HN 0.584 nan 8.190 nan 0.000 0.426 210 I N 4.378 124.977 120.570 0.047 0.000 2.362 210 I HA 0.596 4.766 4.170 -0.000 0.000 0.289 210 I C -0.618 175.522 176.117 0.038 0.000 0.994 210 I CA -0.007 61.314 61.300 0.034 0.000 1.158 210 I CB 1.688 39.709 38.000 0.035 0.000 1.315 210 I HN 0.638 nan 8.210 nan 0.000 0.451 211 D N 4.978 125.379 120.400 0.001 0.000 2.559 211 D HA 0.458 5.098 4.640 -0.000 0.000 0.250 211 D C -0.923 175.336 176.300 -0.067 0.000 1.135 211 D CA -0.807 53.175 54.000 -0.030 0.000 0.955 211 D CB 2.061 42.861 40.800 -0.000 0.000 1.442 211 D HN 0.402 nan 8.370 nan 0.000 0.471 212 R N 1.702 122.138 120.500 -0.107 0.000 2.607 212 R HA 0.416 4.756 4.340 -0.000 0.000 0.278 212 R C -2.590 173.661 176.300 -0.081 0.000 1.637 212 R CA -1.611 54.432 56.100 -0.096 0.000 1.325 212 R CB 1.116 31.342 30.300 -0.123 0.000 1.211 212 R HN 0.238 nan 8.270 nan 0.000 0.565 213 P HA -0.165 nan 4.420 nan 0.000 0.261 213 P C 0.045 177.326 177.300 -0.032 0.000 1.158 213 P CA 0.161 63.240 63.100 -0.034 0.000 0.758 213 P CB 0.369 32.053 31.700 -0.027 0.000 0.763 214 V N 1.114 121.016 119.914 -0.020 0.000 2.814 214 V HA 0.273 4.393 4.120 -0.000 0.000 0.307 214 V C 1.398 177.489 176.094 -0.005 0.000 1.089 214 V CA 0.178 62.472 62.300 -0.009 0.000 1.212 214 V CB -0.785 31.045 31.823 0.011 0.000 0.912 214 V HN 0.999 nan 8.190 nan 0.000 0.497 215 G N 2.073 110.873 108.800 0.000 0.000 2.221 215 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.265 215 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.265 215 G C 0.285 175.178 174.900 -0.012 0.000 1.041 215 G CA 0.897 45.998 45.100 0.001 0.000 0.807 215 G HN 2.524 nan 8.290 nan 0.000 0.502 216 T N -3.583 110.958 114.554 -0.022 0.000 2.868 216 T HA 0.607 4.957 4.350 -0.000 0.000 0.306 216 T C -0.244 174.425 174.700 -0.050 0.000 1.224 216 T CA -0.157 61.921 62.100 -0.038 0.000 1.012 216 T CB 2.007 70.851 68.868 -0.039 0.000 1.221 216 T HN 0.284 nan 8.240 nan 0.000 0.499 217 N N 0.501 119.154 118.700 -0.078 0.000 2.458 217 N HA 0.316 5.056 4.740 -0.000 0.000 0.274 217 N C -0.867 174.576 175.510 -0.111 0.000 1.242 217 N CA -0.258 52.730 53.050 -0.104 0.000 0.904 217 N CB 0.451 38.827 38.487 -0.185 0.000 1.206 217 N HN 0.699 nan 8.380 nan 0.000 0.510 218 T N 1.007 115.513 114.554 -0.079 0.000 2.797 218 T HA 0.379 4.729 4.350 -0.000 0.000 0.279 218 T C -0.055 174.612 174.700 -0.055 0.000 0.991 218 T CA -0.476 61.582 62.100 -0.069 0.000 0.979 218 T CB 1.084 69.917 68.868 -0.057 0.000 0.943 218 T HN -0.011 nan 8.240 nan 0.000 0.444 219 I N 3.458 123.999 120.570 -0.048 0.000 2.291 219 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 219 I C 0.616 176.715 176.117 -0.030 0.000 1.064 219 I CA -0.742 60.535 61.300 -0.039 0.000 1.269 219 I CB 0.082 38.064 38.000 -0.030 0.000 1.418 219 I HN 0.661 nan 8.210 nan 0.000 0.485 220 A N 7.521 130.324 122.820 -0.028 0.000 2.260 220 A HA 0.639 4.959 4.320 -0.000 0.000 0.308 220 A C -0.242 177.336 177.584 -0.010 0.000 1.254 220 A CA -0.412 51.614 52.037 -0.019 0.000 0.874 220 A CB 0.637 19.626 19.000 -0.018 0.000 1.153 220 A HN 0.433 nan 8.150 nan 0.000 0.527 221 V N 3.053 122.963 119.914 -0.006 0.000 2.459 221 V HA 0.784 4.903 4.120 -0.000 0.000 0.295 221 V C 0.459 176.554 176.094 0.002 0.000 1.029 221 V CA 0.144 62.445 62.300 0.001 0.000 0.874 221 V CB 1.390 33.213 31.823 0.001 0.000 0.985 221 V HN 1.180 nan 8.190 nan 0.000 0.438 222 T N 0.611 115.168 114.554 0.006 0.000 2.762 222 T HA 0.917 5.267 4.350 -0.000 0.000 0.301 222 T C -0.019 174.686 174.700 0.007 0.000 1.299 222 T CA 0.058 62.161 62.100 0.005 0.000 1.005 222 T CB 1.682 70.553 68.868 0.004 0.000 1.377 222 T HN 2.104 nan 8.240 nan 0.000 0.504 223 G N 0.327 109.130 108.800 0.006 0.000 2.500 223 G HA2 0.312 4.272 3.960 -0.000 0.000 0.209 223 G HA3 0.312 4.272 3.960 -0.000 0.000 0.209 223 G C -0.391 174.512 174.900 0.005 0.000 1.283 223 G CA -0.009 45.095 45.100 0.006 0.000 0.960 223 G HN 1.905 nan 8.290 nan 0.000 0.528 224 S N -1.082 114.621 115.700 0.005 0.000 2.557 224 S HA 0.654 5.124 4.470 -0.000 0.000 0.291 224 S C -1.027 173.576 174.600 0.005 0.000 1.116 224 S CA -0.355 57.847 58.200 0.004 0.000 0.992 224 S CB 1.410 64.612 63.200 0.003 0.000 1.028 224 S HN 1.732 nan 8.310 nan 0.000 0.484 225 L N 6.326 127.552 121.223 0.005 0.000 2.296 225 L HA 0.684 5.024 4.340 -0.000 0.000 0.286 225 L C -2.591 174.281 176.870 0.004 0.000 1.023 225 L CA -1.873 52.970 54.840 0.005 0.000 0.812 225 L CB 1.311 43.373 42.059 0.006 0.000 1.223 225 L HN 0.432 nan 8.230 nan 0.000 0.421 226 P HA 0.076 nan 4.420 nan 0.000 0.266 226 P C -0.077 177.225 177.300 0.003 0.000 1.195 226 P CA 0.260 63.362 63.100 0.003 0.000 0.768 226 P CB 0.820 32.521 31.700 0.003 0.000 0.838 227 A N 4.125 126.946 122.820 0.003 0.000 1.877 227 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 227 A C 1.648 179.234 177.584 0.003 0.000 1.186 227 A CA 2.025 54.063 52.037 0.003 0.000 0.620 227 A CB -1.204 17.797 19.000 0.003 0.000 0.822 227 A HN 0.659 nan 8.150 nan 0.000 0.443 228 D N 0.368 120.770 120.400 0.003 0.000 2.371 228 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 228 D C 0.869 177.171 176.300 0.004 0.000 0.986 228 D CA 0.689 54.690 54.000 0.003 0.000 0.899 228 D CB -0.590 40.212 40.800 0.003 0.000 0.902 228 D HN 0.414 nan 8.370 nan 0.000 0.530 229 A N 0.535 123.357 122.820 0.004 0.000 2.386 229 A HA 0.499 4.819 4.320 -0.000 0.000 0.246 229 A C 0.537 178.124 177.584 0.005 0.000 1.089 229 A CA 0.081 52.120 52.037 0.004 0.000 0.790 229 A CB 0.259 19.261 19.000 0.004 0.000 1.042 229 A HN 0.353 nan 8.150 nan 0.000 0.497 230 A N 1.424 124.248 122.820 0.005 0.000 2.316 230 A HA 0.636 4.956 4.320 -0.000 0.000 0.284 230 A C -2.355 175.233 177.584 0.007 0.000 1.115 230 A CA -1.487 50.553 52.037 0.006 0.000 0.812 230 A CB -0.512 18.492 19.000 0.006 0.000 1.064 230 A HN 0.638 nan 8.150 nan 0.000 0.489 231 P HA 0.229 nan 4.420 nan 0.000 0.265 231 P C -0.595 176.710 177.300 0.010 0.000 1.193 231 P CA 0.037 63.142 63.100 0.009 0.000 0.765 231 P CB 0.513 32.218 31.700 0.010 0.000 0.823 232 V N 2.961 122.881 119.914 0.010 0.000 2.743 232 V HA 0.606 4.725 4.120 -0.000 0.000 0.301 232 V C 0.487 176.588 176.094 0.011 0.000 1.057 232 V CA -0.117 62.190 62.300 0.011 0.000 1.006 232 V CB 1.607 33.437 31.823 0.011 0.000 1.024 232 V HN 0.767 nan 8.190 nan 0.000 0.473 233 T N 0.419 114.979 114.554 0.011 0.000 2.952 233 T HA 0.855 5.205 4.350 -0.000 0.000 0.305 233 T C -0.772 173.931 174.700 0.005 0.000 1.064 233 T CA -0.378 61.727 62.100 0.008 0.000 1.008 233 T CB 1.800 70.677 68.868 0.015 0.000 1.078 233 T HN 1.240 nan 8.240 nan 0.000 0.459 234 A N 2.773 125.591 122.820 -0.004 0.000 2.556 234 A HA 0.810 5.130 4.320 -0.000 0.000 0.294 234 A C -1.185 176.377 177.584 -0.036 0.000 1.091 234 A CA -1.038 50.998 52.037 -0.001 0.000 0.704 234 A CB 1.538 20.554 19.000 0.027 0.000 1.300 234 A HN 0.936 nan 8.150 nan 0.000 0.406 235 L N 2.526 123.729 121.223 -0.034 0.000 2.262 235 L HA 0.469 4.809 4.340 -0.000 0.000 0.288 235 L C -0.117 176.735 176.870 -0.030 0.000 1.035 235 L CA -0.540 54.252 54.840 -0.080 0.000 0.820 235 L CB 0.727 42.734 42.059 -0.086 0.000 1.204 235 L HN 0.609 nan 8.230 nan 0.000 0.424 236 R N 1.347 121.814 120.500 -0.054 0.000 2.711 236 R HA 0.471 4.811 4.340 -0.000 0.000 0.284 236 R C -0.011 176.246 176.300 -0.071 0.000 0.968 236 R CA -0.589 55.469 56.100 -0.070 0.000 0.924 236 R CB 2.169 32.428 30.300 -0.069 0.000 1.162 236 R HN 0.607 nan 8.270 nan 0.000 0.465 237 T N -1.705 112.790 114.554 -0.098 0.000 2.788 237 T HA 0.473 4.823 4.350 -0.000 0.000 0.287 237 T C 0.729 175.417 174.700 -0.020 0.000 1.007 237 T CA -0.595 61.472 62.100 -0.054 0.000 1.005 237 T CB 0.873 69.698 68.868 -0.072 0.000 1.012 237 T HN 0.381 nan 8.240 nan 0.000 0.530 238 V N -1.873 118.061 119.914 0.033 0.000 3.141 238 V HA 0.716 4.836 4.120 -0.000 0.000 0.312 238 V C -0.954 175.204 176.094 0.106 0.000 1.157 238 V CA -1.315 61.037 62.300 0.085 0.000 1.041 238 V CB 1.696 33.628 31.823 0.181 0.000 1.071 238 V HN 0.970 nan 8.190 nan 0.000 0.441 239 D N 0.851 121.332 120.400 0.135 0.000 2.210 239 D HA 0.391 5.031 4.640 -0.000 0.000 0.249 239 D C -0.219 176.204 176.300 0.205 0.000 1.078 239 D CA 0.492 54.566 54.000 0.124 0.000 0.875 239 D CB 0.611 41.447 40.800 0.060 0.000 1.175 239 D HN 0.787 nan 8.370 nan 0.000 0.440 240 E N 2.577 122.866 120.200 0.150 0.000 2.442 240 E HA -0.138 4.212 4.350 -0.000 0.000 0.177 240 E C -1.914 174.746 176.600 0.101 0.000 1.505 240 E CA 0.050 56.534 56.400 0.140 0.000 0.662 240 E CB -0.829 28.973 29.700 0.170 0.000 1.117 240 E HN 0.519 nan 8.360 nan 0.000 0.375 241 P HA -0.221 nan 4.420 nan 0.000 0.218 241 P C 1.271 178.557 177.300 -0.024 0.000 1.146 241 P CA 2.179 65.296 63.100 0.027 0.000 0.820 241 P CB 0.224 31.960 31.700 0.060 0.000 0.778 242 A N -0.530 122.288 122.820 -0.003 0.000 1.968 242 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 242 A C 2.252 179.805 177.584 -0.052 0.000 1.169 242 A CA 1.601 53.626 52.037 -0.021 0.000 0.638 242 A CB -1.331 17.674 19.000 0.008 0.000 0.812 242 A HN 0.200 nan 8.150 nan 0.000 0.446 243 A N -0.325 122.463 122.820 -0.054 0.000 1.897 243 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 243 A C 2.075 179.416 177.584 -0.406 0.000 1.181 243 A CA 1.530 53.518 52.037 -0.082 0.000 0.620 243 A CB -0.566 18.522 19.000 0.146 0.000 0.821 243 A HN 0.669 nan 8.150 nan 0.000 0.443 244 L N -0.006 120.782 121.223 -0.725 0.000 2.046 244 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 244 L C 2.602 179.313 176.870 -0.265 0.000 1.077 244 L CA 2.241 56.582 54.840 -0.833 0.000 0.747 244 L CB -0.841 40.895 42.059 -0.537 0.000 0.896 244 L HN 0.335 nan 8.230 nan 0.000 0.432 245 A N -0.365 122.362 122.820 -0.156 0.000 1.883 245 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 245 A C 2.360 179.936 177.584 -0.013 0.000 1.186 245 A CA 1.714 53.716 52.037 -0.059 0.000 0.624 245 A CB -1.690 17.274 19.000 -0.059 0.000 0.822 245 A HN 0.540 nan 8.150 nan 0.000 0.444 246 G N -1.540 107.245 108.800 -0.024 0.000 2.432 246 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 246 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 246 G C 1.455 176.398 174.900 0.072 0.000 1.135 246 G CA 1.457 46.582 45.100 0.042 0.000 0.767 246 G HN 0.793 nan 8.290 nan 0.000 0.550 247 H N 0.418 119.447 119.070 -0.067 0.000 2.389 247 H HA 0.116 4.672 4.556 -0.000 0.000 0.299 247 H C 2.390 177.719 175.328 0.001 0.000 1.081 247 H CA 1.258 57.286 56.048 -0.034 0.000 1.345 247 H CB -0.180 29.532 29.762 -0.084 0.000 1.393 247 H HN 0.289 nan 8.280 nan 0.000 0.520 248 L N -1.184 119.992 121.223 -0.078 0.000 2.109 248 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 248 L C 2.089 178.949 176.870 -0.018 0.000 1.086 248 L CA 0.803 55.593 54.840 -0.085 0.000 0.760 248 L CB -0.481 41.590 42.059 0.020 0.000 0.910 248 L HN 0.249 nan 8.230 nan 0.000 0.437 249 F N 1.175 121.059 119.950 -0.109 0.000 2.171 249 F HA -0.213 4.313 4.527 -0.000 0.000 0.300 249 F C 2.579 178.322 175.800 -0.096 0.000 1.090 249 F CA 1.515 59.466 58.000 -0.082 0.000 1.293 249 F CB -0.207 38.759 39.000 -0.057 0.000 1.013 249 F HN 0.091 nan 8.300 nan 0.000 0.486 250 E N 0.415 120.552 120.200 -0.104 0.000 2.077 250 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 250 E C 2.026 178.484 176.600 -0.236 0.000 0.989 250 E CA 1.655 57.938 56.400 -0.195 0.000 0.800 250 E CB -0.132 29.488 29.700 -0.133 0.000 0.746 250 E HN 0.598 nan 8.360 nan 0.000 0.452 251 E N 0.001 120.056 120.200 -0.242 0.000 2.150 251 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 251 E C 1.985 178.483 176.600 -0.170 0.000 0.985 251 E CA 0.746 57.026 56.400 -0.201 0.000 0.814 251 E CB -0.060 29.513 29.700 -0.212 0.000 0.752 251 E HN 0.231 nan 8.360 nan 0.000 0.466 252 A N 1.288 123.995 122.820 -0.188 0.000 1.930 252 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 252 A C 2.178 179.612 177.584 -0.250 0.000 1.175 252 A CA 0.822 52.754 52.037 -0.175 0.000 0.627 252 A CB -0.458 18.469 19.000 -0.122 0.000 0.815 252 A HN 0.111 nan 8.150 nan 0.000 0.443 253 L N -1.020 119.970 121.223 -0.390 0.000 2.056 253 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 253 L C 2.612 179.359 176.870 -0.207 0.000 1.078 253 L CA 1.574 56.197 54.840 -0.361 0.000 0.749 253 L CB -0.433 41.357 42.059 -0.449 0.000 0.901 253 L HN 0.372 nan 8.230 nan 0.000 0.433 254 E N 0.137 120.230 120.200 -0.179 0.000 2.209 254 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 254 E C 2.088 178.632 176.600 -0.094 0.000 0.993 254 E CA 1.190 57.519 56.400 -0.119 0.000 0.819 254 E CB -0.009 29.627 29.700 -0.106 0.000 0.745 254 E HN 0.211 nan 8.360 nan 0.000 0.477 255 S N -0.185 115.455 115.700 -0.100 0.000 2.562 255 S HA 0.106 4.576 4.470 -0.000 0.000 0.221 255 S C 0.493 175.053 174.600 -0.066 0.000 0.975 255 S CA 0.136 58.292 58.200 -0.073 0.000 0.918 255 S CB -0.113 63.048 63.200 -0.066 0.000 0.772 255 S HN 0.330 nan 8.310 nan 0.000 0.531 256 N N 0.541 119.192 118.700 -0.082 0.000 2.541 256 N HA 0.233 4.973 4.740 -0.000 0.000 0.297 256 N C 0.848 176.320 175.510 -0.063 0.000 1.503 256 N CA 0.249 53.259 53.050 -0.067 0.000 0.919 256 N CB 1.098 39.541 38.487 -0.073 0.000 1.305 256 N HN 0.360 nan 8.380 nan 0.000 0.501 257 G N 0.462 109.227 108.800 -0.058 0.000 2.284 257 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.268 257 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.268 257 G C 0.381 175.248 174.900 -0.056 0.000 0.980 257 G CA 0.402 45.473 45.100 -0.049 0.000 0.631 257 G HN 0.275 nan 8.290 nan 0.000 0.548 258 V N 1.953 121.822 119.914 -0.076 0.000 2.529 258 V HA 0.407 4.527 4.120 -0.000 0.000 0.292 258 V C 0.845 176.891 176.094 -0.080 0.000 1.028 258 V CA 0.863 63.115 62.300 -0.079 0.000 1.074 258 V CB 1.212 32.968 31.823 -0.113 0.000 0.958 258 V HN 0.303 nan 8.190 nan 0.000 0.481 259 T N 5.226 119.745 114.554 -0.057 0.000 2.767 259 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 259 T C -0.201 174.471 174.700 -0.047 0.000 0.973 259 T CA -0.338 61.731 62.100 -0.051 0.000 0.996 259 T CB 1.373 70.220 68.868 -0.034 0.000 0.927 259 T HN 0.377 nan 8.240 nan 0.000 0.456 260 V N 5.269 125.151 119.914 -0.054 0.000 2.370 260 V HA 0.302 4.422 4.120 -0.000 0.000 0.279 260 V C 1.028 177.103 176.094 -0.032 0.000 1.029 260 V CA -0.606 61.667 62.300 -0.046 0.000 0.870 260 V CB 1.336 33.122 31.823 -0.062 0.000 0.984 260 V HN 0.792 nan 8.190 nan 0.000 0.451 261 K N 3.045 123.433 120.400 -0.020 0.000 2.276 261 K HA 0.215 4.535 4.320 -0.000 0.000 0.198 261 K C 1.224 177.815 176.600 -0.014 0.000 1.052 261 K CA 0.708 56.988 56.287 -0.013 0.000 0.984 261 K CB 0.537 33.035 32.500 -0.003 0.000 0.836 261 K HN 0.748 nan 8.250 nan 0.000 0.490 262 G N 1.233 110.021 108.800 -0.020 0.000 2.666 262 G HA2 0.113 4.073 3.960 -0.000 0.000 0.207 262 G HA3 0.113 4.073 3.960 -0.000 0.000 0.207 262 G C -0.272 174.597 174.900 -0.053 0.000 1.481 262 G CA -0.238 44.843 45.100 -0.031 0.000 1.071 262 G HN -0.017 nan 8.290 nan 0.000 0.572 263 D N -1.766 118.578 120.400 -0.093 0.000 2.525 263 D HA 0.540 5.180 4.640 -0.000 0.000 0.249 263 D C -0.669 175.530 176.300 -0.170 0.000 1.072 263 D CA -0.225 53.714 54.000 -0.101 0.000 1.067 263 D CB 2.082 42.830 40.800 -0.086 0.000 1.282 263 D HN 0.060 nan 8.370 nan 0.000 0.587 264 V N 0.018 119.860 119.914 -0.120 0.000 2.448 264 V HA 0.795 4.915 4.120 -0.000 0.000 0.295 264 V C 0.527 176.544 176.094 -0.127 0.000 1.025 264 V CA -0.342 61.881 62.300 -0.129 0.000 0.859 264 V CB 1.320 33.139 31.823 -0.006 0.000 0.988 264 V HN 0.729 nan 8.190 nan 0.000 0.431 265 G N 3.317 111.986 108.800 -0.218 0.000 2.600 265 G HA2 0.627 4.587 3.960 -0.000 0.000 0.293 265 G HA3 0.627 4.587 3.960 -0.000 0.000 0.293 265 G C -1.622 173.271 174.900 -0.011 0.000 1.408 265 G CA -0.922 44.117 45.100 -0.101 0.000 0.782 265 G HN 0.568 nan 8.290 nan 0.000 0.482 266 L N 0.141 121.421 121.223 0.095 0.000 2.375 266 L HA 0.725 5.065 4.340 -0.000 0.000 0.271 266 L C 0.780 177.814 176.870 0.273 0.000 1.107 266 L CA 0.039 54.970 54.840 0.153 0.000 0.806 266 L CB 1.446 43.570 42.059 0.108 0.000 1.146 266 L HN 1.022 nan 8.230 nan 0.000 0.447 267 G N 0.935 109.882 108.800 0.245 0.000 2.380 267 G HA2 0.414 4.374 3.960 -0.000 0.000 0.305 267 G HA3 0.414 4.374 3.960 -0.000 0.000 0.305 267 G C -0.855 174.124 174.900 0.132 0.000 1.672 267 G CA -0.344 44.847 45.100 0.152 0.000 0.904 267 G HN 0.835 nan 8.290 nan 0.000 0.686 268 G N -0.589 108.224 108.800 0.021 0.000 2.528 268 G HA2 0.625 4.585 3.960 -0.000 0.000 0.289 268 G HA3 0.625 4.585 3.960 -0.000 0.000 0.289 268 G C 0.293 175.013 174.900 -0.299 0.000 1.192 268 G CA -0.472 44.601 45.100 -0.045 0.000 0.921 268 G HN 1.180 nan 8.290 nan 0.000 0.512 269 V N 1.771 121.360 119.914 -0.542 0.000 2.673 269 V HA 0.026 4.146 4.120 -0.000 0.000 0.303 269 V C -0.772 174.850 176.094 -0.786 0.000 1.046 269 V CA -0.444 61.210 62.300 -1.076 0.000 1.126 269 V CB 1.367 32.743 31.823 -0.746 0.000 0.934 269 V HN 0.641 nan 8.190 nan 0.000 0.487 270 P HA -0.208 nan 4.420 nan 0.000 0.218 270 P C 1.098 178.201 177.300 -0.329 0.000 1.146 270 P CA 1.814 64.524 63.100 -0.651 0.000 0.820 270 P CB 0.088 31.263 31.700 -0.875 0.000 0.778 271 A N -0.446 122.212 122.820 -0.270 0.000 2.125 271 A HA -0.272 4.048 4.320 -0.000 0.000 0.226 271 A C 1.526 179.114 177.584 0.006 0.000 0.600 271 A CA 1.555 53.534 52.037 -0.097 0.000 1.189 271 A CB -2.513 16.438 19.000 -0.081 0.000 1.399 271 A HN 0.450 nan 8.150 nan 0.000 0.704 272 D N -1.590 118.831 120.400 0.035 0.000 2.371 272 D HA -0.029 4.611 4.640 -0.000 0.000 0.234 272 D C 0.106 176.556 176.300 0.249 0.000 1.049 272 D CA 0.440 54.508 54.000 0.114 0.000 0.907 272 D CB -0.370 40.493 40.800 0.104 0.000 0.891 272 D HN 0.666 nan 8.370 nan 0.000 0.531 273 W N 2.496 123.754 121.300 -0.071 0.000 1.912 273 W HA 0.279 4.939 4.660 -0.000 0.000 0.399 273 W C 1.405 177.889 176.519 -0.059 0.000 0.800 273 W CA -0.969 56.333 57.345 -0.072 0.000 1.593 273 W CB -0.072 29.317 29.460 -0.118 0.000 1.769 273 W HN 0.043 nan 8.180 nan 0.000 0.281 274 Q N 0.199 120.066 119.800 0.113 0.000 2.079 274 Q HA -0.121 4.218 4.340 -0.000 0.000 0.200 274 Q C 0.427 176.440 176.000 0.022 0.000 0.974 274 Q CA 1.020 56.855 55.803 0.054 0.000 0.840 274 Q CB 0.146 28.900 28.738 0.027 0.000 0.898 274 Q HN 0.249 nan 8.270 nan 0.000 0.430 275 D N 1.104 121.490 120.400 -0.023 0.000 3.085 275 D HA 0.214 4.854 4.640 -0.000 0.000 0.243 275 D C -0.668 175.590 176.300 -0.070 0.000 1.232 275 D CA -0.049 53.918 54.000 -0.054 0.000 0.913 275 D CB 0.081 40.828 40.800 -0.089 0.000 1.108 275 D HN 0.150 nan 8.370 nan 0.000 0.468 276 A N 1.357 124.178 122.820 0.003 0.000 2.540 276 A HA 0.020 4.340 4.320 -0.000 0.000 0.239 276 A C 0.461 178.047 177.584 0.004 0.000 1.061 276 A CA 0.322 52.386 52.037 0.046 0.000 0.758 276 A CB 0.411 19.474 19.000 0.106 0.000 0.991 276 A HN 0.252 nan 8.150 nan 0.000 0.502 277 E N 1.884 122.085 120.200 0.002 0.000 2.165 277 E HA 0.499 4.849 4.350 -0.000 0.000 0.266 277 E C -1.255 175.372 176.600 0.045 0.000 0.889 277 E CA -0.405 55.995 56.400 0.000 0.000 0.756 277 E CB 1.450 31.127 29.700 -0.038 0.000 1.131 277 E HN 0.359 nan 8.360 nan 0.000 0.411 278 V N 7.112 127.046 119.914 0.033 0.000 2.364 278 V HA 0.159 4.279 4.120 -0.000 0.000 0.272 278 V C 0.904 177.024 176.094 0.043 0.000 1.036 278 V CA -0.186 62.139 62.300 0.042 0.000 0.880 278 V CB 0.986 32.820 31.823 0.018 0.000 0.991 278 V HN 0.812 nan 8.190 nan 0.000 0.460 279 L N 3.790 125.053 121.223 0.067 0.000 2.513 279 L HA 0.603 4.943 4.340 -0.000 0.000 0.222 279 L C 0.839 177.752 176.870 0.072 0.000 1.096 279 L CA 0.646 55.527 54.840 0.069 0.000 0.857 279 L CB 0.106 42.222 42.059 0.094 0.000 1.026 279 L HN 0.756 nan 8.230 nan 0.000 0.469 280 A N 0.199 123.063 122.820 0.073 0.000 2.597 280 A HA 0.598 4.918 4.320 -0.000 0.000 0.292 280 A C -1.965 175.648 177.584 0.048 0.000 1.057 280 A CA -0.573 51.508 52.037 0.072 0.000 0.674 280 A CB 1.298 20.367 19.000 0.116 0.000 1.278 280 A HN 0.100 nan 8.150 nan 0.000 0.416 281 D N 0.119 120.548 120.400 0.049 0.000 2.685 281 D HA 0.489 5.129 4.640 -0.000 0.000 0.236 281 D C -1.302 175.048 176.300 0.084 0.000 1.233 281 D CA -0.257 53.763 54.000 0.032 0.000 0.760 281 D CB 1.161 41.956 40.800 -0.009 0.000 1.410 281 D HN 0.724 nan 8.370 nan 0.000 0.439 282 H N -0.586 118.458 119.070 -0.043 0.000 2.834 282 H HA 0.738 5.294 4.556 -0.000 0.000 0.369 282 H C -1.306 173.993 175.328 -0.048 0.000 1.174 282 H CA -0.009 56.020 56.048 -0.032 0.000 1.165 282 H CB 2.438 32.188 29.762 -0.019 0.000 1.820 282 H HN 0.376 nan 8.280 nan 0.000 0.558 283 T N 2.084 116.111 114.554 -0.878 0.000 2.921 283 T HA 0.361 4.711 4.350 -0.000 0.000 0.297 283 T C -0.598 173.689 174.700 -0.687 0.000 1.013 283 T CA -0.686 61.068 62.100 -0.576 0.000 0.990 283 T CB 1.034 69.699 68.868 -0.339 0.000 1.023 283 T HN 0.756 nan 8.240 nan 0.000 0.447 284 S N 2.152 117.667 115.700 -0.308 0.000 2.634 284 S HA 0.763 5.233 4.470 -0.000 0.000 0.261 284 S C 0.707 175.235 174.600 -0.121 0.000 1.271 284 S CA -0.729 57.397 58.200 -0.123 0.000 0.985 284 S CB 0.546 63.771 63.200 0.042 0.000 0.968 284 S HN 0.976 nan 8.310 nan 0.000 0.568 285 A N 0.397 123.183 122.820 -0.056 0.000 2.327 285 A HA 0.369 4.689 4.320 -0.000 0.000 0.255 285 A C 0.348 177.895 177.584 -0.061 0.000 1.099 285 A CA -0.551 51.458 52.037 -0.046 0.000 0.801 285 A CB -0.422 18.574 19.000 -0.006 0.000 1.062 285 A HN 0.896 nan 8.150 nan 0.000 0.496 286 E N -0.482 119.686 120.200 -0.054 0.000 2.398 286 E HA 0.102 4.452 4.350 -0.000 0.000 0.263 286 E C 0.981 177.582 176.600 0.001 0.000 1.046 286 E CA -0.333 56.029 56.400 -0.064 0.000 0.908 286 E CB 0.532 30.209 29.700 -0.038 0.000 0.963 286 E HN 0.594 nan 8.360 nan 0.000 0.431 287 L N 3.564 124.793 121.223 0.009 0.000 2.034 287 L HA -0.338 4.002 4.340 -0.000 0.000 0.217 287 L C 2.199 179.137 176.870 0.113 0.000 1.077 287 L CA 2.695 57.599 54.840 0.106 0.000 0.769 287 L CB -0.952 41.174 42.059 0.111 0.000 0.890 287 L HN 0.728 nan 8.230 nan 0.000 0.435 288 S N -1.837 113.920 115.700 0.094 0.000 2.423 288 S HA -0.254 4.216 4.470 -0.000 0.000 0.238 288 S C 1.861 176.531 174.600 0.117 0.000 1.028 288 S CA 1.523 59.791 58.200 0.114 0.000 1.000 288 S CB -0.545 62.718 63.200 0.105 0.000 0.797 288 S HN 0.636 nan 8.310 nan 0.000 0.487 289 E N 0.923 121.182 120.200 0.099 0.000 2.216 289 E HA 0.323 4.673 4.350 -0.000 0.000 0.192 289 E C 1.811 178.490 176.600 0.131 0.000 0.973 289 E CA 0.580 57.043 56.400 0.105 0.000 0.851 289 E CB -0.243 29.501 29.700 0.074 0.000 0.804 289 E HN 0.678 nan 8.360 nan 0.000 0.477 290 I N 0.354 120.991 120.570 0.112 0.000 2.546 290 I HA -0.171 3.999 4.170 -0.000 0.000 0.255 290 I C 1.819 178.088 176.117 0.254 0.000 1.163 290 I CA 0.546 61.912 61.300 0.111 0.000 1.457 290 I CB -0.132 37.893 38.000 0.042 0.000 1.092 290 I HN 0.099 nan 8.210 nan 0.000 0.434 291 L N 0.071 121.449 121.223 0.259 0.000 2.191 291 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 291 L C 2.543 179.557 176.870 0.240 0.000 1.103 291 L CA 0.850 55.894 54.840 0.340 0.000 0.769 291 L CB -0.512 41.692 42.059 0.242 0.000 0.908 291 L HN 0.119 nan 8.230 nan 0.000 0.438 292 V N 0.784 120.814 119.914 0.194 0.000 2.223 292 V HA -0.160 3.960 4.120 -0.000 0.000 0.244 292 V C -0.104 176.057 176.094 0.111 0.000 1.045 292 V CA 2.215 64.590 62.300 0.124 0.000 1.000 292 V CB -1.651 30.284 31.823 0.187 0.000 0.635 292 V HN 0.356 nan 8.190 nan 0.000 0.445 293 P HA -0.229 nan 4.420 nan 0.000 0.219 293 P C 1.745 179.273 177.300 0.379 0.000 1.146 293 P CA 1.818 65.164 63.100 0.410 0.000 0.808 293 P CB -0.170 31.987 31.700 0.761 0.000 0.779 294 F N 0.485 120.578 119.950 0.237 0.000 2.039 294 F HA -0.159 4.368 4.527 -0.000 0.000 0.294 294 F C 2.263 178.087 175.800 0.040 0.000 1.130 294 F CA 1.287 59.406 58.000 0.197 0.000 1.189 294 F CB -0.310 38.858 39.000 0.281 0.000 0.983 294 F HN -0.297 nan 8.300 nan 0.000 0.471 295 M N 0.410 119.780 119.600 -0.382 0.000 2.236 295 M HA -0.097 4.383 4.480 -0.000 0.000 0.266 295 M C 1.950 178.016 176.300 -0.390 0.000 1.070 295 M CA 1.111 56.079 55.300 -0.553 0.000 1.137 295 M CB -1.055 31.250 32.600 -0.492 0.000 1.378 295 M HN 0.086 nan 8.290 nan 0.000 0.426 296 K N 0.452 120.606 120.400 -0.411 0.000 2.020 296 K HA -0.118 4.202 4.320 -0.000 0.000 0.212 296 K C 1.754 177.981 176.600 -0.621 0.000 1.050 296 K CA 1.621 57.532 56.287 -0.627 0.000 0.929 296 K CB -0.558 31.319 32.500 -1.037 0.000 0.714 296 K HN 0.299 nan 8.250 nan 0.000 0.443 297 F N 0.145 120.001 119.950 -0.156 0.000 2.749 297 F HA 0.194 4.721 4.527 -0.000 0.000 0.300 297 F C 0.854 176.588 175.800 -0.109 0.000 1.103 297 F CA -0.275 57.644 58.000 -0.136 0.000 1.342 297 F CB -0.123 38.795 39.000 -0.137 0.000 1.098 297 F HN -0.143 nan 8.300 nan 0.000 0.586 298 S N 1.025 116.711 115.700 -0.024 0.000 3.884 298 S HA -0.285 4.185 4.470 -0.000 0.000 0.374 298 S C 0.078 174.719 174.600 0.069 0.000 0.971 298 S CA 0.109 58.276 58.200 -0.055 0.000 1.152 298 S CB -2.136 61.030 63.200 -0.057 0.000 0.877 298 S HN 0.589 nan 8.310 nan 0.000 0.491 299 N N 1.433 120.228 118.700 0.159 0.000 2.431 299 N HA 0.262 5.002 4.740 -0.000 0.000 0.265 299 N C 1.127 176.799 175.510 0.270 0.000 1.184 299 N CA -0.250 52.877 53.050 0.129 0.000 0.943 299 N CB 0.394 38.744 38.487 -0.228 0.000 1.080 299 N HN 0.357 nan 8.380 nan 0.000 0.477 300 N N 2.548 121.370 118.700 0.202 0.000 2.396 300 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 300 N C 1.631 177.314 175.510 0.288 0.000 1.028 300 N CA 0.637 53.834 53.050 0.245 0.000 0.893 300 N CB -0.106 38.468 38.487 0.144 0.000 0.967 300 N HN 0.693 nan 8.380 nan 0.000 0.440 301 G N 0.596 109.544 108.800 0.246 0.000 2.404 301 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 301 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 301 G C 1.216 176.289 174.900 0.288 0.000 1.174 301 G CA 0.674 45.945 45.100 0.284 0.000 0.780 301 G HN 0.321 nan 8.290 nan 0.000 0.537 302 H N 1.125 120.215 119.070 0.033 0.000 2.319 302 H HA 0.068 4.624 4.556 -0.000 0.000 0.299 302 H C 2.864 177.938 175.328 -0.424 0.000 1.092 302 H CA 1.040 56.927 56.048 -0.269 0.000 1.302 302 H CB -0.778 28.720 29.762 -0.442 0.000 1.373 302 H HN 0.366 nan 8.280 nan 0.000 0.497 303 A N 1.233 124.040 122.820 -0.021 0.000 1.883 303 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 303 A C 2.231 179.913 177.584 0.165 0.000 1.186 303 A CA 1.818 53.947 52.037 0.152 0.000 0.624 303 A CB -0.170 19.120 19.000 0.482 0.000 0.822 303 A HN 0.284 nan 8.150 nan 0.000 0.444 304 E N -0.406 119.950 120.200 0.260 0.000 2.150 304 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 304 E C 2.014 178.600 176.600 -0.023 0.000 0.985 304 E CA 1.037 57.625 56.400 0.313 0.000 0.814 304 E CB -0.468 29.571 29.700 0.564 0.000 0.752 304 E HN 0.721 nan 8.360 nan 0.000 0.466 305 M N -0.052 119.531 119.600 -0.028 0.000 2.254 305 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 305 M C 2.187 178.390 176.300 -0.162 0.000 1.066 305 M CA 0.919 56.162 55.300 -0.094 0.000 1.123 305 M CB -0.122 32.485 32.600 0.013 0.000 1.388 305 M HN 0.054 nan 8.290 nan 0.000 0.425 306 L N -0.917 120.215 121.223 -0.153 0.000 2.093 306 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 306 L C 2.372 179.191 176.870 -0.084 0.000 1.085 306 L CA 0.667 55.445 54.840 -0.103 0.000 0.755 306 L CB -0.584 41.406 42.059 -0.115 0.000 0.904 306 L HN 0.098 nan 8.230 nan 0.000 0.435 307 V N 0.122 119.981 119.914 -0.091 0.000 2.295 307 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 307 V C 2.444 178.383 176.094 -0.259 0.000 1.049 307 V CA 1.828 64.076 62.300 -0.087 0.000 1.024 307 V CB -0.482 31.369 31.823 0.047 0.000 0.648 307 V HN 0.430 nan 8.190 nan 0.000 0.447 308 K N -0.435 119.634 120.400 -0.551 0.000 2.211 308 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 308 K C 2.431 178.715 176.600 -0.527 0.000 1.050 308 K CA 1.348 57.128 56.287 -0.845 0.000 0.945 308 K CB -0.221 31.217 32.500 -1.771 0.000 0.732 308 K HN 0.332 nan 8.250 nan 0.000 0.451 309 S N 1.372 116.943 115.700 -0.216 0.000 2.368 309 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 309 S C 1.919 176.536 174.600 0.028 0.000 1.029 309 S CA 0.860 59.156 58.200 0.159 0.000 0.988 309 S CB -0.111 63.286 63.200 0.329 0.000 0.838 309 S HN 0.198 nan 8.310 nan 0.000 0.462 310 I N 1.251 121.796 120.570 -0.041 0.000 2.286 310 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 310 I C 2.588 178.658 176.117 -0.079 0.000 1.115 310 I CA 1.134 62.404 61.300 -0.050 0.000 1.392 310 I CB -0.754 37.222 38.000 -0.040 0.000 1.065 310 I HN 0.363 nan 8.210 nan 0.000 0.418 311 G N -0.184 108.533 108.800 -0.139 0.000 2.422 311 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 311 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 311 G C 1.621 176.419 174.900 -0.171 0.000 1.146 311 G CA 0.292 45.296 45.100 -0.160 0.000 0.769 311 G HN 0.269 nan 8.290 nan 0.000 0.547 312 Q N -0.025 119.650 119.800 -0.207 0.000 2.016 312 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 312 Q C 2.486 178.418 176.000 -0.112 0.000 0.978 312 Q CA 1.443 57.082 55.803 -0.273 0.000 0.833 312 Q CB -0.315 28.150 28.738 -0.455 0.000 0.895 312 Q HN 0.472 nan 8.270 nan 0.000 0.427 313 E N -0.080 120.106 120.200 -0.023 0.000 2.204 313 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 313 E C 1.691 178.286 176.600 -0.009 0.000 0.990 313 E CA 1.681 58.090 56.400 0.016 0.000 0.821 313 E CB 0.004 29.709 29.700 0.008 0.000 0.750 313 E HN 0.464 nan 8.360 nan 0.000 0.477 314 T N -4.154 110.379 114.554 -0.034 0.000 3.023 314 T HA 0.407 4.757 4.350 -0.000 0.000 0.249 314 T C 1.424 176.103 174.700 -0.035 0.000 1.050 314 T CA 0.375 62.458 62.100 -0.028 0.000 1.088 314 T CB 0.476 69.327 68.868 -0.027 0.000 0.946 314 T HN 0.083 nan 8.240 nan 0.000 0.480 315 A N 0.112 122.897 122.820 -0.058 0.000 2.600 315 A HA 0.716 5.036 4.320 -0.000 0.000 0.252 315 A C 1.607 179.146 177.584 -0.076 0.000 1.200 315 A CA 0.410 52.412 52.037 -0.059 0.000 0.981 315 A CB -0.146 18.816 19.000 -0.063 0.000 1.207 315 A HN 1.373 nan 8.150 nan 0.000 0.577 316 G N -0.932 107.807 108.800 -0.102 0.000 2.160 316 G HA2 0.244 4.204 3.960 -0.000 0.000 0.244 316 G HA3 0.244 4.204 3.960 -0.000 0.000 0.244 316 G C 0.165 174.956 174.900 -0.182 0.000 1.022 316 G CA 0.327 45.350 45.100 -0.129 0.000 0.741 316 G HN 1.945 nan 8.290 nan 0.000 0.508 317 A N -0.543 122.147 122.820 -0.217 0.000 2.497 317 A HA 0.778 5.098 4.320 -0.000 0.000 0.280 317 A C 0.461 177.874 177.584 -0.284 0.000 1.065 317 A CA 0.546 52.447 52.037 -0.227 0.000 0.781 317 A CB 1.029 19.939 19.000 -0.150 0.000 1.289 317 A HN 1.789 nan 8.150 nan 0.000 0.415 318 G N 2.621 111.218 108.800 -0.339 0.000 2.924 318 G HA2 0.447 4.406 3.960 -0.000 0.000 0.273 318 G HA3 0.447 4.406 3.960 -0.000 0.000 0.273 318 G C 0.353 174.987 174.900 -0.443 0.000 0.734 318 G CA 0.782 45.652 45.100 -0.384 0.000 2.065 318 G HN 1.274 nan 8.290 nan 0.000 0.580 319 T N -2.986 111.329 114.554 -0.398 0.000 2.906 319 T HA 0.329 4.679 4.350 -0.000 0.000 0.295 319 T C 0.634 175.148 174.700 -0.310 0.000 1.075 319 T CA -0.956 60.932 62.100 -0.353 0.000 1.005 319 T CB 1.586 70.349 68.868 -0.174 0.000 1.136 319 T HN 0.225 nan 8.240 nan 0.000 0.498 320 W N 0.824 122.002 121.300 -0.204 0.000 2.392 320 W HA -0.016 4.644 4.660 -0.000 0.000 0.279 320 W C 1.164 177.600 176.519 -0.139 0.000 1.225 320 W CA 1.127 58.362 57.345 -0.182 0.000 1.233 320 W CB -0.539 28.807 29.460 -0.189 0.000 1.122 320 W HN 0.800 nan 8.180 nan 0.000 0.561 321 D N -0.412 120.038 120.400 0.085 0.000 2.091 321 D HA -0.077 4.562 4.640 -0.000 0.000 0.199 321 D C 2.339 178.634 176.300 -0.008 0.000 0.980 321 D CA 1.930 55.947 54.000 0.028 0.000 0.831 321 D CB -0.791 40.012 40.800 0.005 0.000 0.987 321 D HN -0.053 nan 8.370 nan 0.000 0.460 322 A N 0.773 123.566 122.820 -0.045 0.000 1.877 322 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 322 A C 2.357 179.906 177.584 -0.058 0.000 1.186 322 A CA 2.273 54.273 52.037 -0.062 0.000 0.620 322 A CB -1.238 17.702 19.000 -0.099 0.000 0.822 322 A HN 0.300 nan 8.150 nan 0.000 0.443 323 G N -0.306 108.445 108.800 -0.082 0.000 2.459 323 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 323 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 323 G C 1.349 176.249 174.900 -0.000 0.000 1.183 323 G CA 1.253 46.312 45.100 -0.068 0.000 0.776 323 G HN 0.343 nan 8.290 nan 0.000 0.552 324 L N 0.520 121.765 121.223 0.037 0.000 2.131 324 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 324 L C 3.073 179.954 176.870 0.017 0.000 1.092 324 L CA 0.715 55.581 54.840 0.042 0.000 0.759 324 L CB -0.698 41.387 42.059 0.043 0.000 0.903 324 L HN 0.120 nan 8.230 nan 0.000 0.435 325 V N -0.668 119.249 119.914 0.004 0.000 2.379 325 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 325 V C 2.544 178.640 176.094 0.003 0.000 1.044 325 V CA 1.622 63.922 62.300 -0.001 0.000 1.036 325 V CB -1.238 30.579 31.823 -0.010 0.000 0.664 325 V HN 0.532 nan 8.190 nan 0.000 0.453 326 G N -0.141 108.657 108.800 -0.003 0.000 2.440 326 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 326 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 326 G C 1.693 176.604 174.900 0.018 0.000 1.154 326 G CA 1.238 46.338 45.100 -0.001 0.000 0.767 326 G HN 0.364 nan 8.290 nan 0.000 0.552 327 V N 0.436 120.368 119.914 0.031 0.000 2.407 327 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 327 V C 2.779 178.916 176.094 0.071 0.000 1.055 327 V CA 1.995 64.332 62.300 0.061 0.000 1.049 327 V CB -0.187 31.687 31.823 0.085 0.000 0.662 327 V HN 0.343 nan 8.190 nan 0.000 0.455 328 E N 0.119 120.348 120.200 0.048 0.000 2.047 328 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 328 E C 2.245 178.872 176.600 0.046 0.000 0.987 328 E CA 1.416 57.842 56.400 0.043 0.000 0.799 328 E CB -0.017 29.693 29.700 0.016 0.000 0.752 328 E HN 0.705 nan 8.360 nan 0.000 0.449 329 E N 0.032 120.252 120.200 0.034 0.000 2.152 329 E HA -0.093 4.256 4.350 -0.000 0.000 0.192 329 E C 1.968 178.593 176.600 0.042 0.000 0.983 329 E CA 0.709 57.128 56.400 0.031 0.000 0.818 329 E CB -0.032 29.680 29.700 0.019 0.000 0.758 329 E HN 0.200 nan 8.360 nan 0.000 0.467 330 A N 1.196 124.044 122.820 0.047 0.000 1.902 330 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 330 A C 2.161 179.791 177.584 0.077 0.000 1.181 330 A CA 1.015 53.084 52.037 0.055 0.000 0.623 330 A CB -0.575 18.452 19.000 0.045 0.000 0.818 330 A HN 0.135 nan 8.150 nan 0.000 0.443 331 L N -0.846 120.433 121.223 0.094 0.000 2.046 331 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 331 L C 2.884 179.809 176.870 0.091 0.000 1.077 331 L CA 1.399 56.311 54.840 0.119 0.000 0.747 331 L CB -0.404 41.761 42.059 0.177 0.000 0.896 331 L HN 0.337 nan 8.230 nan 0.000 0.432 332 S N -0.082 115.660 115.700 0.071 0.000 2.355 332 S HA -0.114 4.356 4.470 -0.000 0.000 0.222 332 S C 1.944 176.572 174.600 0.045 0.000 1.031 332 S CA 1.255 59.487 58.200 0.053 0.000 0.993 332 S CB -0.473 62.751 63.200 0.040 0.000 0.859 332 S HN 0.593 nan 8.310 nan 0.000 0.453 333 G N 0.584 109.411 108.800 0.046 0.000 2.535 333 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 333 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 333 G C 1.071 175.999 174.900 0.047 0.000 1.122 333 G CA 0.414 45.539 45.100 0.042 0.000 0.769 333 G HN 0.430 nan 8.290 nan 0.000 0.549 334 L N 0.166 121.425 121.223 0.059 0.000 2.607 334 L HA 0.416 4.756 4.340 -0.000 0.000 0.228 334 L C 1.751 178.635 176.870 0.024 0.000 1.123 334 L CA 0.838 55.713 54.840 0.059 0.000 0.890 334 L CB -0.061 42.061 42.059 0.105 0.000 1.103 334 L HN 0.312 nan 8.230 nan 0.000 0.468 335 G N -0.675 108.141 108.800 0.025 0.000 2.132 335 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.234 335 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.234 335 G C 0.013 174.928 174.900 0.025 0.000 0.989 335 G CA 0.167 45.276 45.100 0.015 0.000 0.676 335 G HN 0.189 nan 8.290 nan 0.000 0.522 336 V N 0.726 120.667 119.914 0.045 0.000 2.398 336 V HA 0.485 4.605 4.120 -0.000 0.000 0.286 336 V C 0.178 176.314 176.094 0.070 0.000 1.026 336 V CA -0.562 61.777 62.300 0.065 0.000 0.868 336 V CB 1.816 33.700 31.823 0.101 0.000 0.982 336 V HN 0.353 nan 8.190 nan 0.000 0.443 337 D N 3.268 123.706 120.400 0.063 0.000 2.338 337 D HA 0.115 4.755 4.640 -0.000 0.000 0.255 337 D C 1.151 177.488 176.300 0.063 0.000 1.237 337 D CA 0.055 54.087 54.000 0.052 0.000 0.883 337 D CB 1.118 41.942 40.800 0.040 0.000 1.087 337 D HN 0.710 nan 8.370 nan 0.000 0.485 338 T N 1.161 115.745 114.554 0.051 0.000 3.278 338 T HA 0.367 4.717 4.350 -0.000 0.000 0.251 338 T C 1.558 176.263 174.700 0.008 0.000 1.039 338 T CA 0.001 62.123 62.100 0.037 0.000 0.935 338 T CB 0.405 69.294 68.868 0.035 0.000 1.034 338 T HN 0.276 nan 8.240 nan 0.000 0.575 339 A N 1.999 124.826 122.820 0.013 0.000 1.858 339 A HA 0.229 4.549 4.320 -0.000 0.000 0.216 339 A C 2.495 180.074 177.584 -0.008 0.000 1.190 339 A CA 1.404 53.442 52.037 0.003 0.000 0.617 339 A CB -1.378 17.627 19.000 0.008 0.000 0.827 339 A HN 0.623 nan 8.150 nan 0.000 0.443 340 G N -1.048 107.748 108.800 -0.006 0.000 2.848 340 G HA2 0.294 4.254 3.960 -0.000 0.000 0.208 340 G HA3 0.294 4.254 3.960 -0.000 0.000 0.208 340 G C 0.595 175.467 174.900 -0.047 0.000 1.152 340 G CA -0.217 44.873 45.100 -0.017 0.000 0.789 340 G HN 0.387 nan 8.290 nan 0.000 0.531 341 L N 0.570 121.751 121.223 -0.070 0.000 2.452 341 L HA 0.426 4.766 4.340 -0.000 0.000 0.267 341 L C -0.426 176.379 176.870 -0.108 0.000 1.188 341 L CA -0.382 54.376 54.840 -0.137 0.000 0.821 341 L CB 1.683 43.627 42.059 -0.192 0.000 1.102 341 L HN -0.172 nan 8.230 nan 0.000 0.470 342 V N 3.960 123.795 119.914 -0.131 0.000 2.559 342 V HA 0.285 4.405 4.120 -0.000 0.000 0.289 342 V C -0.370 175.657 176.094 -0.111 0.000 1.036 342 V CA -0.370 61.873 62.300 -0.096 0.000 0.887 342 V CB 1.657 33.436 31.823 -0.073 0.000 1.022 342 V HN 0.479 nan 8.190 nan 0.000 0.442 343 L N 3.739 124.904 121.223 -0.096 0.000 2.272 343 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 343 L C 0.879 177.701 176.870 -0.080 0.000 1.032 343 L CA -0.153 54.635 54.840 -0.087 0.000 0.810 343 L CB 1.332 43.353 42.059 -0.063 0.000 1.205 343 L HN 0.605 nan 8.230 nan 0.000 0.422 344 N N 1.024 119.666 118.700 -0.096 0.000 2.382 344 N HA 0.014 4.754 4.740 -0.000 0.000 0.200 344 N C -0.633 174.733 175.510 -0.240 0.000 1.122 344 N CA 0.146 53.107 53.050 -0.149 0.000 0.870 344 N CB 0.870 39.271 38.487 -0.145 0.000 1.176 344 N HN 0.783 nan 8.380 nan 0.000 0.474 345 D N -2.833 117.478 120.400 -0.148 0.000 2.622 345 D HA 0.219 4.859 4.640 -0.000 0.000 0.255 345 D C 0.236 176.576 176.300 0.067 0.000 1.246 345 D CA -0.635 53.274 54.000 -0.151 0.000 0.795 345 D CB 0.843 41.553 40.800 -0.149 0.000 1.369 345 D HN -0.017 nan 8.370 nan 0.000 0.425 346 G N -0.749 108.170 108.800 0.197 0.000 2.880 346 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.209 346 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.209 346 G C 1.071 176.134 174.900 0.272 0.000 1.157 346 G CA 0.771 46.014 45.100 0.239 0.000 0.779 346 G HN 0.523 nan 8.290 nan 0.000 0.539 347 S N -1.107 114.760 115.700 0.278 0.000 2.503 347 S HA 0.361 4.831 4.470 -0.000 0.000 0.215 347 S C 1.817 176.506 174.600 0.149 0.000 1.003 347 S CA 1.018 59.370 58.200 0.254 0.000 0.910 347 S CB 0.149 63.514 63.200 0.274 0.000 0.790 347 S HN 1.336 nan 8.310 nan 0.000 0.514 348 G N 1.440 110.316 108.800 0.126 0.000 2.147 348 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 348 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 348 G C 0.402 175.300 174.900 -0.004 0.000 1.005 348 G CA 0.446 45.579 45.100 0.054 0.000 0.713 348 G HN 0.528 nan 8.290 nan 0.000 0.515 349 L N 0.466 121.691 121.223 0.002 0.000 2.179 349 L HA 0.245 4.585 4.340 -0.000 0.000 0.208 349 L C 1.876 178.630 176.870 -0.194 0.000 1.096 349 L CA 1.390 56.114 54.840 -0.193 0.000 0.779 349 L CB -0.257 41.528 42.059 -0.456 0.000 0.922 349 L HN 0.473 nan 8.230 nan 0.000 0.443 350 S N 0.088 115.833 115.700 0.076 0.000 2.531 350 S HA 0.060 4.530 4.470 -0.000 0.000 0.279 350 S C 1.244 175.803 174.600 -0.068 0.000 1.305 350 S CA -0.519 57.721 58.200 0.066 0.000 1.058 350 S CB 0.740 64.006 63.200 0.111 0.000 0.899 350 S HN 0.288 nan 8.310 nan 0.000 0.493 351 R N 3.459 123.884 120.500 -0.125 0.000 2.280 351 R HA -0.012 4.328 4.340 -0.000 0.000 0.207 351 R C 1.915 178.188 176.300 -0.044 0.000 1.043 351 R CA 0.867 56.916 56.100 -0.086 0.000 1.006 351 R CB -0.669 29.595 30.300 -0.060 0.000 0.885 351 R HN 0.797 nan 8.270 nan 0.000 0.467 352 G N 0.931 109.701 108.800 -0.049 0.000 2.848 352 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.208 352 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.208 352 G C 0.388 175.254 174.900 -0.057 0.000 1.152 352 G CA -0.207 44.863 45.100 -0.050 0.000 0.789 352 G HN 0.168 nan 8.290 nan 0.000 0.531 353 N N 0.086 118.753 118.700 -0.055 0.000 2.493 353 N HA 0.632 5.372 4.740 -0.000 0.000 0.275 353 N C -0.726 174.747 175.510 -0.061 0.000 1.186 353 N CA -0.070 52.941 53.050 -0.065 0.000 0.978 353 N CB 1.891 40.343 38.487 -0.057 0.000 1.184 353 N HN -0.023 nan 8.380 nan 0.000 0.487 354 L N 0.594 121.767 121.223 -0.083 0.000 2.505 354 L HA 0.549 4.889 4.340 -0.000 0.000 0.259 354 L C -0.547 176.257 176.870 -0.110 0.000 0.952 354 L CA -0.832 53.965 54.840 -0.072 0.000 0.840 354 L CB 2.125 44.151 42.059 -0.055 0.000 1.358 354 L HN 0.343 nan 8.230 nan 0.000 0.409 355 V N -0.766 119.103 119.914 -0.075 0.000 3.130 355 V HA 0.906 5.026 4.120 -0.000 0.000 0.308 355 V C -0.769 175.322 176.094 -0.005 0.000 1.413 355 V CA -0.369 61.885 62.300 -0.077 0.000 1.053 355 V CB 2.180 33.959 31.823 -0.073 0.000 1.075 355 V HN 0.831 nan 8.190 nan 0.000 0.465 356 T N -2.616 111.958 114.554 0.034 0.000 2.896 356 T HA 0.802 5.152 4.350 -0.000 0.000 0.297 356 T C 0.814 175.562 174.700 0.079 0.000 1.108 356 T CA -0.042 62.087 62.100 0.049 0.000 1.004 356 T CB 1.635 70.528 68.868 0.041 0.000 1.159 356 T HN 1.929 nan 8.240 nan 0.000 0.499 357 A N 0.893 123.755 122.820 0.070 0.000 1.972 357 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 357 A C 1.869 179.498 177.584 0.075 0.000 1.169 357 A CA 1.648 53.730 52.037 0.075 0.000 0.635 357 A CB -0.945 18.100 19.000 0.076 0.000 0.810 357 A HN 0.888 nan 8.150 nan 0.000 0.446 358 D N -0.421 120.021 120.400 0.070 0.000 2.097 358 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 358 D C 2.026 178.376 176.300 0.083 0.000 0.984 358 D CA 1.915 55.955 54.000 0.066 0.000 0.826 358 D CB -0.698 40.134 40.800 0.053 0.000 0.973 358 D HN 0.377 nan 8.370 nan 0.000 0.460 359 T N 0.775 115.395 114.554 0.110 0.000 2.759 359 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 359 T C 2.219 177.055 174.700 0.226 0.000 1.042 359 T CA 0.733 62.935 62.100 0.171 0.000 1.140 359 T CB -0.297 68.684 68.868 0.189 0.000 0.864 359 T HN -0.031 nan 8.240 nan 0.000 0.455 360 V N 1.032 121.073 119.914 0.211 0.000 2.270 360 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 360 V C 2.674 178.759 176.094 -0.014 0.000 1.043 360 V CA 1.335 63.700 62.300 0.108 0.000 1.014 360 V CB -0.708 31.165 31.823 0.082 0.000 0.645 360 V HN 0.304 nan 8.190 nan 0.000 0.447 361 V N 0.623 120.537 119.914 -0.001 0.000 2.392 361 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 361 V C 2.397 178.495 176.094 0.006 0.000 1.059 361 V CA 2.325 64.614 62.300 -0.018 0.000 1.051 361 V CB -0.726 31.107 31.823 0.017 0.000 0.658 361 V HN 0.655 nan 8.190 nan 0.000 0.455 362 D N 0.221 120.639 120.400 0.031 0.000 2.087 362 D HA -0.184 4.456 4.640 -0.000 0.000 0.192 362 D C 2.045 178.351 176.300 0.010 0.000 0.993 362 D CA 1.685 55.706 54.000 0.034 0.000 0.828 362 D CB -0.262 40.574 40.800 0.060 0.000 0.968 362 D HN 0.316 nan 8.370 nan 0.000 0.448 363 L N 0.499 121.718 121.223 -0.006 0.000 2.079 363 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 363 L C 2.321 179.149 176.870 -0.070 0.000 1.081 363 L CA 1.446 56.239 54.840 -0.079 0.000 0.752 363 L CB -0.698 41.209 42.059 -0.252 0.000 0.896 363 L HN 0.151 nan 8.230 nan 0.000 0.433 364 L N -0.670 120.536 121.223 -0.029 0.000 2.083 364 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 364 L C 2.511 179.485 176.870 0.173 0.000 1.083 364 L CA 1.228 56.103 54.840 0.058 0.000 0.752 364 L CB -1.349 40.615 42.059 -0.159 0.000 0.899 364 L HN 0.481 nan 8.230 nan 0.000 0.433 365 G N -1.181 107.664 108.800 0.075 0.000 2.414 365 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 365 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 365 G C 1.463 176.347 174.900 -0.027 0.000 1.188 365 G CA 0.139 45.275 45.100 0.059 0.000 0.783 365 G HN 0.212 nan 8.290 nan 0.000 0.537 366 Q N 0.787 120.547 119.800 -0.067 0.000 2.045 366 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 366 Q C 3.010 178.835 176.000 -0.293 0.000 0.991 366 Q CA 1.746 57.466 55.803 -0.138 0.000 0.851 366 Q CB -1.143 27.539 28.738 -0.093 0.000 0.911 366 Q HN 0.413 nan 8.270 nan 0.000 0.418 367 A N 0.847 123.448 122.820 -0.365 0.000 1.892 367 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 367 A C 2.389 179.555 177.584 -0.696 0.000 1.188 367 A CA 2.047 53.630 52.037 -0.757 0.000 0.631 367 A CB -1.294 17.010 19.000 -1.160 0.000 0.822 367 A HN 0.491 nan 8.150 nan 0.000 0.447 368 G N -0.545 108.073 108.800 -0.303 0.000 2.499 368 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.221 368 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.221 368 G C 1.362 176.103 174.900 -0.265 0.000 1.109 368 G CA 1.624 46.591 45.100 -0.223 0.000 0.749 368 G HN 1.152 nan 8.290 nan 0.000 0.568 369 S N -0.997 114.518 115.700 -0.307 0.000 2.651 369 S HA 0.745 5.215 4.470 -0.000 0.000 0.246 369 S C 0.441 174.808 174.600 -0.388 0.000 1.039 369 S CA 0.127 58.162 58.200 -0.275 0.000 1.013 369 S CB 0.642 63.733 63.200 -0.181 0.000 0.861 369 S HN 0.538 nan 8.310 nan 0.000 0.485 370 A N 2.516 124.945 122.820 -0.652 0.000 2.294 370 A HA 0.799 5.119 4.320 -0.000 0.000 0.330 370 A C -1.300 175.841 177.584 -0.739 0.000 1.133 370 A CA -2.009 49.496 52.037 -0.886 0.000 0.836 370 A CB 0.632 18.547 19.000 -1.808 0.000 1.190 370 A HN 0.272 nan 8.150 nan 0.000 0.492 371 P HA -0.138 nan 4.420 nan 0.000 0.219 371 P C 0.847 178.046 177.300 -0.169 0.000 1.146 371 P CA 1.408 64.347 63.100 -0.268 0.000 0.808 371 P CB -0.112 31.521 31.700 -0.113 0.000 0.779 372 W N -1.250 120.045 121.300 -0.008 0.000 3.405 372 W HA 0.560 5.220 4.660 -0.000 0.000 0.300 372 W C 1.342 177.902 176.519 0.069 0.000 1.286 372 W CA 0.036 57.404 57.345 0.037 0.000 1.762 372 W CB -1.421 28.073 29.460 0.057 0.000 1.087 372 W HN -0.105 nan 8.180 nan 0.000 0.703 373 A N 1.882 124.638 122.820 -0.108 0.000 1.903 373 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 373 A C 2.205 179.921 177.584 0.221 0.000 1.191 373 A CA 1.958 53.977 52.037 -0.031 0.000 0.638 373 A CB -0.706 18.166 19.000 -0.214 0.000 0.823 373 A HN 0.200 nan 8.150 nan 0.000 0.451 374 Q N -0.881 119.004 119.800 0.141 0.000 2.119 374 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 374 Q C 2.400 178.516 176.000 0.193 0.000 0.972 374 Q CA 2.102 57.988 55.803 0.138 0.000 0.847 374 Q CB -0.990 27.796 28.738 0.080 0.000 0.903 374 Q HN 0.880 nan 8.270 nan 0.000 0.433 375 T N -1.913 112.795 114.554 0.257 0.000 2.985 375 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 375 T C 1.437 176.319 174.700 0.305 0.000 1.076 375 T CA 0.599 62.845 62.100 0.244 0.000 1.135 375 T CB -0.305 68.708 68.868 0.241 0.000 0.890 375 T HN 0.504 nan 8.240 nan 0.000 0.480 376 W N 1.976 123.411 121.300 0.226 0.000 2.381 376 W HA 0.007 4.667 4.660 -0.000 0.000 0.301 376 W C 1.693 178.307 176.519 0.158 0.000 1.205 376 W CA 1.053 58.540 57.345 0.236 0.000 1.285 376 W CB -0.631 29.113 29.460 0.473 0.000 1.133 376 W HN 0.329 nan 8.180 nan 0.000 0.521 377 S N 1.153 116.972 115.700 0.198 0.000 2.428 377 S HA -0.015 4.455 4.470 -0.000 0.000 0.230 377 S C 2.126 176.707 174.600 -0.031 0.000 1.014 377 S CA 1.153 59.354 58.200 0.002 0.000 0.957 377 S CB -0.522 62.722 63.200 0.073 0.000 0.784 377 S HN 0.350 nan 8.310 nan 0.000 0.499 378 A N 1.710 124.548 122.820 0.029 0.000 2.070 378 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 378 A C 2.242 179.812 177.584 -0.022 0.000 1.159 378 A CA 1.730 53.780 52.037 0.021 0.000 0.656 378 A CB -0.633 18.405 19.000 0.063 0.000 0.800 378 A HN 0.598 nan 8.150 nan 0.000 0.453 379 S N -0.889 114.769 115.700 -0.069 0.000 2.496 379 S HA 0.230 4.700 4.470 -0.000 0.000 0.224 379 S C 0.589 175.056 174.600 -0.222 0.000 0.996 379 S CA -0.272 57.856 58.200 -0.121 0.000 0.927 379 S CB -0.555 62.578 63.200 -0.112 0.000 0.774 379 S HN 0.352 nan 8.310 nan 0.000 0.524 380 L N 2.652 123.726 121.223 -0.249 0.000 2.416 380 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 380 L C -2.441 174.322 176.870 -0.178 0.000 1.161 380 L CA -2.148 52.538 54.840 -0.256 0.000 0.845 380 L CB 0.281 42.198 42.059 -0.236 0.000 1.119 380 L HN 0.034 nan 8.230 nan 0.000 0.464 381 P HA 0.055 nan 4.420 nan 0.000 0.271 381 P C -1.011 176.238 177.300 -0.086 0.000 1.218 381 P CA -0.192 62.817 63.100 -0.152 0.000 0.780 381 P CB 0.787 32.390 31.700 -0.160 0.000 0.901 382 V N 2.538 122.415 119.914 -0.062 0.000 2.347 382 V HA 0.475 4.595 4.120 -0.000 0.000 0.280 382 V C 0.525 176.604 176.094 -0.025 0.000 1.021 382 V CA -1.076 61.206 62.300 -0.029 0.000 0.847 382 V CB 0.784 32.597 31.823 -0.017 0.000 0.990 382 V HN 0.666 nan 8.190 nan 0.000 0.444 383 A N 3.906 126.716 122.820 -0.018 0.000 2.567 383 A HA 0.478 4.797 4.320 -0.000 0.000 0.240 383 A C 1.627 179.200 177.584 -0.018 0.000 1.053 383 A CA 0.860 52.886 52.037 -0.018 0.000 0.755 383 A CB -0.469 18.520 19.000 -0.017 0.000 0.978 383 A HN 2.221 nan 8.150 nan 0.000 0.507 384 G N 1.157 109.948 108.800 -0.014 0.000 2.234 384 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.260 384 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.260 384 G C 0.125 175.026 174.900 0.001 0.000 0.987 384 G CA 0.438 45.533 45.100 -0.008 0.000 0.625 384 G HN 0.847 nan 8.290 nan 0.000 0.532 385 E N 1.321 121.523 120.200 0.003 0.000 2.217 385 E HA 0.363 4.713 4.350 -0.000 0.000 0.279 385 E C 1.646 178.261 176.600 0.026 0.000 1.068 385 E CA 0.519 56.928 56.400 0.015 0.000 0.882 385 E CB 1.204 30.913 29.700 0.014 0.000 1.039 385 E HN 0.531 nan 8.360 nan 0.000 0.418 386 S N 1.851 117.571 115.700 0.033 0.000 2.423 386 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 386 S C 0.796 175.437 174.600 0.068 0.000 1.014 386 S CA 0.351 58.577 58.200 0.044 0.000 0.965 386 S CB 0.086 63.309 63.200 0.039 0.000 0.785 386 S HN 0.452 nan 8.310 nan 0.000 0.495 387 D N 3.466 123.913 120.400 0.079 0.000 2.412 387 D HA 0.165 4.805 4.640 -0.000 0.000 0.257 387 D C -1.572 174.823 176.300 0.157 0.000 1.217 387 D CA -1.872 52.203 54.000 0.124 0.000 0.897 387 D CB 1.265 42.139 40.800 0.123 0.000 1.132 387 D HN 0.035 nan 8.370 nan 0.000 0.493 388 P HA -0.183 nan 4.420 nan 0.000 0.217 388 P C 1.136 178.526 177.300 0.150 0.000 1.162 388 P CA 1.241 64.502 63.100 0.269 0.000 0.901 388 P CB -0.054 31.853 31.700 0.345 0.000 0.793 389 F N -1.953 118.107 119.950 0.182 0.000 2.641 389 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 389 F C 2.001 177.760 175.800 -0.067 0.000 1.146 389 F CA 0.733 58.749 58.000 0.027 0.000 1.464 389 F CB -0.610 38.459 39.000 0.116 0.000 1.101 389 F HN -0.196 nan 8.300 nan 0.000 0.585 390 V N -1.658 118.307 119.914 0.085 0.000 2.911 390 V HA 0.141 4.261 4.120 -0.000 0.000 0.237 390 V C 2.437 178.507 176.094 -0.040 0.000 1.156 390 V CA 1.276 63.592 62.300 0.026 0.000 1.180 390 V CB -0.630 31.226 31.823 0.055 0.000 0.932 390 V HN 0.257 nan 8.190 nan 0.000 0.483 391 G N -0.381 108.406 108.800 -0.022 0.000 2.421 391 G HA2 0.283 4.243 3.960 -0.000 0.000 0.217 391 G HA3 0.283 4.243 3.960 -0.000 0.000 0.217 391 G C 1.139 175.983 174.900 -0.093 0.000 1.143 391 G CA 1.132 46.210 45.100 -0.036 0.000 0.784 391 G HN 0.886 nan 8.290 nan 0.000 0.541 392 G N -0.133 108.567 108.800 -0.167 0.000 2.582 392 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.288 392 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.288 392 G C 1.366 176.230 174.900 -0.060 0.000 1.247 392 G CA 2.022 46.953 45.100 -0.281 0.000 0.972 392 G HN 1.230 nan 8.290 nan 0.000 0.557 393 T N -0.699 113.813 114.554 -0.070 0.000 3.098 393 T HA 0.273 4.623 4.350 -0.000 0.000 0.266 393 T C 1.988 176.671 174.700 -0.028 0.000 1.145 393 T CA 1.641 63.729 62.100 -0.019 0.000 1.092 393 T CB -0.022 68.824 68.868 -0.038 0.000 0.908 393 T HN 0.540 nan 8.240 nan 0.000 0.526 394 L N -0.098 121.100 121.223 -0.041 0.000 2.728 394 L HA 0.487 4.826 4.340 -0.000 0.000 0.238 394 L C 2.647 179.507 176.870 -0.018 0.000 1.143 394 L CA 0.057 54.880 54.840 -0.030 0.000 0.937 394 L CB -0.298 41.740 42.059 -0.035 0.000 1.225 394 L HN 0.292 nan 8.230 nan 0.000 0.507 395 A N 0.761 123.577 122.820 -0.007 0.000 1.917 395 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 395 A C 1.454 179.043 177.584 0.008 0.000 1.182 395 A CA 1.649 53.692 52.037 0.009 0.000 0.633 395 A CB -0.276 18.745 19.000 0.035 0.000 0.819 395 A HN 0.487 nan 8.150 nan 0.000 0.448 396 N N -0.016 118.686 118.700 0.004 0.000 2.453 396 N HA 0.192 4.931 4.740 -0.000 0.000 0.270 396 N C -0.564 174.941 175.510 -0.008 0.000 1.195 396 N CA 0.074 53.124 53.050 0.001 0.000 0.902 396 N CB 0.550 39.039 38.487 0.003 0.000 1.186 396 N HN 0.439 nan 8.380 nan 0.000 0.510 397 R N -0.082 120.411 120.500 -0.012 0.000 2.686 397 R HA 0.426 4.766 4.340 -0.000 0.000 0.283 397 R C 0.425 176.712 176.300 -0.021 0.000 0.978 397 R CA -0.631 55.458 56.100 -0.018 0.000 0.897 397 R CB 1.726 32.014 30.300 -0.022 0.000 1.192 397 R HN 0.050 nan 8.270 nan 0.000 0.457 398 M N 0.469 120.053 119.600 -0.026 0.000 2.682 398 M HA -0.277 4.203 4.480 -0.000 0.000 0.196 398 M C -0.336 175.950 176.300 -0.023 0.000 0.542 398 M CA 1.095 56.376 55.300 -0.030 0.000 0.593 398 M CB -1.321 31.255 32.600 -0.040 0.000 2.183 398 M HN 0.518 nan 8.290 nan 0.000 0.663 399 R N 0.405 120.895 120.500 -0.016 0.000 2.594 399 R HA 0.361 4.701 4.340 -0.000 0.000 0.272 399 R C 1.431 177.726 176.300 -0.009 0.000 1.074 399 R CA 0.957 57.051 56.100 -0.010 0.000 1.105 399 R CB 0.491 30.788 30.300 -0.005 0.000 1.008 399 R HN 0.535 nan 8.270 nan 0.000 0.472 400 G N 1.035 109.831 108.800 -0.005 0.000 2.155 400 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 400 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 400 G C 0.240 175.137 174.900 -0.005 0.000 0.983 400 G CA 0.909 46.008 45.100 -0.003 0.000 0.676 400 G HN 0.751 nan 8.290 nan 0.000 0.528 401 T N -4.224 110.324 114.554 -0.010 0.000 2.927 401 T HA 0.807 5.157 4.350 -0.000 0.000 0.286 401 T C 1.512 176.205 174.700 -0.011 0.000 1.040 401 T CA 0.367 62.460 62.100 -0.012 0.000 1.010 401 T CB 1.663 70.517 68.868 -0.023 0.000 1.177 401 T HN 1.342 nan 8.240 nan 0.000 0.546 402 A N 0.161 122.979 122.820 -0.003 0.000 2.076 402 A HA 0.260 4.580 4.320 -0.000 0.000 0.220 402 A C 2.381 179.930 177.584 -0.058 0.000 1.160 402 A CA 1.681 53.725 52.037 0.012 0.000 0.653 402 A CB -1.385 17.647 19.000 0.052 0.000 0.801 402 A HN 1.243 nan 8.150 nan 0.000 0.455 403 A N -0.533 122.245 122.820 -0.071 0.000 2.072 403 A HA 0.071 4.390 4.320 -0.000 0.000 0.216 403 A C 1.063 178.591 177.584 -0.095 0.000 1.156 403 A CA 0.399 52.372 52.037 -0.106 0.000 0.701 403 A CB -0.297 18.653 19.000 -0.084 0.000 0.816 403 A HN 0.586 nan 8.150 nan 0.000 0.458 404 E N -0.082 120.081 120.200 -0.061 0.000 2.585 404 E HA 0.226 4.576 4.350 -0.000 0.000 0.252 404 E C 1.194 177.766 176.600 -0.046 0.000 0.981 404 E CA 0.621 56.997 56.400 -0.041 0.000 0.943 404 E CB -0.162 29.526 29.700 -0.020 0.000 0.923 404 E HN 0.686 nan 8.360 nan 0.000 0.486 405 G N 2.581 111.360 108.800 -0.035 0.000 2.184 405 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 405 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 405 G C 0.636 175.507 174.900 -0.048 0.000 0.975 405 G CA 0.422 45.506 45.100 -0.026 0.000 0.642 405 G HN 0.460 nan 8.290 nan 0.000 0.536 406 V N -0.187 119.666 119.914 -0.100 0.000 2.784 406 V HA 0.205 4.325 4.120 -0.000 0.000 0.231 406 V C 1.848 177.911 176.094 -0.051 0.000 1.128 406 V CA 0.768 62.974 62.300 -0.157 0.000 1.178 406 V CB -0.129 31.422 31.823 -0.453 0.000 0.943 406 V HN 0.224 nan 8.190 nan 0.000 0.500 407 V N 2.478 122.371 119.914 -0.035 0.000 2.475 407 V HA 0.005 4.125 4.120 -0.000 0.000 0.292 407 V C 0.139 176.280 176.094 0.078 0.000 1.003 407 V CA 0.589 62.929 62.300 0.067 0.000 1.120 407 V CB -0.389 31.470 31.823 0.060 0.000 0.937 407 V HN 0.502 nan 8.190 nan 0.000 0.476 408 E N 3.761 124.033 120.200 0.119 0.000 2.092 408 E HA 0.696 5.046 4.350 -0.000 0.000 0.271 408 E C -0.144 176.475 176.600 0.031 0.000 0.919 408 E CA -0.127 56.315 56.400 0.070 0.000 0.760 408 E CB 1.520 31.286 29.700 0.110 0.000 1.106 408 E HN 0.881 nan 8.360 nan 0.000 0.408 409 A N 3.184 125.981 122.820 -0.037 0.000 2.606 409 A HA 0.603 4.923 4.320 -0.000 0.000 0.293 409 A C -1.394 176.098 177.584 -0.154 0.000 1.082 409 A CA -0.885 51.078 52.037 -0.123 0.000 0.685 409 A CB 1.545 20.547 19.000 0.004 0.000 1.284 409 A HN 0.361 nan 8.150 nan 0.000 0.408 410 K N 0.856 121.129 120.400 -0.212 0.000 2.156 410 K HA 0.647 4.967 4.320 -0.000 0.000 0.271 410 K C 0.402 176.924 176.600 -0.130 0.000 0.995 410 K CA 0.385 56.553 56.287 -0.198 0.000 0.890 410 K CB 0.977 33.330 32.500 -0.245 0.000 1.073 410 K HN 0.931 nan 8.250 nan 0.000 0.454 411 T N -0.282 114.206 114.554 -0.109 0.000 2.884 411 T HA 0.843 5.193 4.350 -0.000 0.000 0.277 411 T C 0.123 174.782 174.700 -0.068 0.000 0.976 411 T CA -0.621 61.437 62.100 -0.071 0.000 0.956 411 T CB 1.451 70.282 68.868 -0.062 0.000 1.113 411 T HN 0.642 nan 8.240 nan 0.000 0.554 412 G N -0.125 108.645 108.800 -0.050 0.000 2.030 412 G HA2 0.458 4.418 3.960 -0.000 0.000 0.309 412 G HA3 0.458 4.418 3.960 -0.000 0.000 0.309 412 G C -0.812 174.068 174.900 -0.034 0.000 1.668 412 G CA -0.140 44.932 45.100 -0.046 0.000 0.926 412 G HN 1.122 nan 8.290 nan 0.000 0.652 413 T N 1.082 115.607 114.554 -0.048 0.000 3.193 413 T HA 0.721 5.071 4.350 -0.000 0.000 0.332 413 T C -0.222 174.446 174.700 -0.053 0.000 1.208 413 T CA -0.398 61.687 62.100 -0.026 0.000 1.080 413 T CB 1.348 70.207 68.868 -0.015 0.000 1.180 413 T HN 0.636 nan 8.240 nan 0.000 0.469 414 M N 1.467 121.054 119.600 -0.022 0.000 2.828 414 M HA 0.545 5.025 4.480 -0.000 0.000 0.284 414 M C 0.273 176.587 176.300 0.023 0.000 1.166 414 M CA -1.180 54.097 55.300 -0.039 0.000 0.770 414 M CB 1.441 33.996 32.600 -0.075 0.000 1.741 414 M HN 0.546 nan 8.290 nan 0.000 0.443 415 S N 0.400 116.133 115.700 0.055 0.000 2.481 415 S HA 0.347 4.817 4.470 -0.000 0.000 0.282 415 S C 0.893 175.474 174.600 -0.032 0.000 1.243 415 S CA 1.097 59.327 58.200 0.049 0.000 1.078 415 S CB -0.553 62.727 63.200 0.133 0.000 0.916 415 S HN 0.943 nan 8.310 nan 0.000 0.495 416 G N 3.068 111.754 108.800 -0.189 0.000 2.187 416 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.261 416 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.261 416 G C -0.054 174.632 174.900 -0.356 0.000 1.000 416 G CA 0.373 45.142 45.100 -0.551 0.000 0.718 416 G HN 1.014 nan 8.290 nan 0.000 0.519 417 V N -0.749 119.189 119.914 0.039 0.000 2.733 417 V HA 0.840 4.960 4.120 -0.000 0.000 0.306 417 V C -0.206 176.023 176.094 0.226 0.000 1.084 417 V CA -0.091 62.330 62.300 0.201 0.000 0.905 417 V CB 2.172 34.032 31.823 0.061 0.000 1.010 417 V HN 0.813 nan 8.190 nan 0.000 0.424 418 S N 2.425 118.228 115.700 0.173 0.000 2.562 418 S HA 0.889 5.359 4.470 -0.000 0.000 0.274 418 S C -1.003 173.603 174.600 0.010 0.000 1.160 418 S CA 0.316 58.539 58.200 0.040 0.000 0.933 418 S CB 1.628 64.793 63.200 -0.059 0.000 1.100 418 S HN 1.568 nan 8.310 nan 0.000 0.468 419 A N 2.835 125.656 122.820 0.002 0.000 2.539 419 A HA 0.922 5.242 4.320 -0.000 0.000 0.296 419 A C -1.893 175.694 177.584 0.004 0.000 1.073 419 A CA -0.607 51.435 52.037 0.009 0.000 0.700 419 A CB 1.766 20.776 19.000 0.018 0.000 1.296 419 A HN 1.093 nan 8.150 nan 0.000 0.405 420 L N 0.800 122.041 121.223 0.031 0.000 2.505 420 L HA 0.798 5.137 4.340 -0.000 0.000 0.266 420 L C -0.977 175.910 176.870 0.029 0.000 0.954 420 L CA 0.275 55.153 54.840 0.063 0.000 0.852 420 L CB 2.142 44.293 42.059 0.153 0.000 1.282 420 L HN 0.664 nan 8.230 nan 0.000 0.403 421 S N 2.721 118.300 115.700 -0.202 0.000 2.566 421 S HA 0.966 5.435 4.470 -0.000 0.000 0.273 421 S C -0.333 173.786 174.600 -0.803 0.000 1.157 421 S CA -0.105 57.743 58.200 -0.587 0.000 0.938 421 S CB 1.694 64.695 63.200 -0.332 0.000 1.087 421 S HN 1.144 nan 8.310 nan 0.000 0.474 422 G N 1.325 109.266 108.800 -1.432 0.000 2.510 422 G HA2 0.584 4.544 3.960 -0.000 0.000 0.277 422 G HA3 0.584 4.544 3.960 -0.000 0.000 0.277 422 G C -2.375 171.992 174.900 -0.889 0.000 1.223 422 G CA -0.451 44.073 45.100 -0.960 0.000 0.887 422 G HN 0.458 nan 8.290 nan 0.000 0.485 423 Y N -1.212 119.033 120.300 -0.091 0.000 2.509 423 Y HA 0.669 5.219 4.550 -0.000 0.000 0.341 423 Y C -0.060 175.963 175.900 0.206 0.000 1.038 423 Y CA -0.926 57.221 58.100 0.079 0.000 1.089 423 Y CB 2.725 41.227 38.460 0.070 0.000 1.241 423 Y HN 0.269 nan 8.280 nan 0.000 0.468 424 V N 3.947 124.092 119.914 0.385 0.000 2.385 424 V HA 0.313 4.433 4.120 -0.000 0.000 0.277 424 V C -2.612 173.618 176.094 0.227 0.000 1.012 424 V CA -1.753 60.707 62.300 0.266 0.000 0.832 424 V CB 1.317 33.283 31.823 0.239 0.000 1.028 424 V HN 0.528 nan 8.190 nan 0.000 0.436 425 P HA 0.490 nan 4.420 nan 0.000 0.287 425 P C -0.071 177.406 177.300 0.295 0.000 1.294 425 P CA 0.295 63.503 63.100 0.179 0.000 0.776 425 P CB 2.009 33.784 31.700 0.125 0.000 0.889 426 G N 3.705 112.647 108.800 0.237 0.000 2.718 426 G HA2 0.430 4.390 3.960 -0.000 0.000 0.295 426 G HA3 0.430 4.390 3.960 -0.000 0.000 0.295 426 G C -2.490 172.419 174.900 0.016 0.000 1.421 426 G CA -1.485 43.735 45.100 0.200 0.000 0.902 426 G HN 0.033 nan 8.290 nan 0.000 0.501 427 P HA -0.129 nan 4.420 nan 0.000 0.218 427 P C 1.044 178.308 177.300 -0.060 0.000 1.147 427 P CA 1.062 64.110 63.100 -0.087 0.000 0.827 427 P CB 0.452 32.065 31.700 -0.146 0.000 0.778 428 E N -0.579 119.583 120.200 -0.063 0.000 2.394 428 E HA 0.310 4.659 4.350 -0.000 0.000 0.191 428 E C 0.966 177.566 176.600 0.001 0.000 1.044 428 E CA 0.161 56.527 56.400 -0.055 0.000 0.939 428 E CB -0.257 29.372 29.700 -0.119 0.000 1.089 428 E HN 0.147 nan 8.360 nan 0.000 0.456 429 G N 1.639 110.458 108.800 0.032 0.000 2.619 429 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 429 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 429 G C -0.884 174.083 174.900 0.111 0.000 1.256 429 G CA -0.721 44.419 45.100 0.067 0.000 0.826 429 G HN 0.152 nan 8.290 nan 0.000 0.619 430 E N -0.391 119.877 120.200 0.114 0.000 2.191 430 E HA 0.677 5.026 4.350 -0.000 0.000 0.278 430 E C 0.036 176.747 176.600 0.185 0.000 0.972 430 E CA -0.843 55.647 56.400 0.149 0.000 0.804 430 E CB 0.814 30.582 29.700 0.113 0.000 1.110 430 E HN 0.536 nan 8.360 nan 0.000 0.394 431 L N 2.360 123.723 121.223 0.233 0.000 2.333 431 L HA 0.765 5.104 4.340 -0.000 0.000 0.269 431 L C -0.613 176.437 176.870 0.300 0.000 1.010 431 L CA -1.111 53.876 54.840 0.244 0.000 0.818 431 L CB 1.998 44.198 42.059 0.235 0.000 1.306 431 L HN 0.606 nan 8.230 nan 0.000 0.430 432 A N 2.130 125.090 122.820 0.234 0.000 2.335 432 A HA 0.777 5.097 4.320 -0.000 0.000 0.304 432 A C -0.958 176.681 177.584 0.091 0.000 1.118 432 A CA -0.389 51.710 52.037 0.103 0.000 0.757 432 A CB 0.700 19.750 19.000 0.083 0.000 1.188 432 A HN 0.578 nan 8.150 nan 0.000 0.460 433 F N 0.600 120.517 119.950 -0.054 0.000 2.661 433 F HA 0.919 5.446 4.527 -0.000 0.000 0.347 433 F C -0.002 175.760 175.800 -0.064 0.000 1.086 433 F CA -1.136 56.836 58.000 -0.046 0.000 1.016 433 F CB 1.750 40.718 39.000 -0.052 0.000 1.368 433 F HN 0.506 nan 8.300 nan 0.000 0.505 434 S N 1.122 116.892 115.700 0.116 0.000 2.550 434 S HA 0.557 5.027 4.470 -0.000 0.000 0.274 434 S C -1.570 173.112 174.600 0.136 0.000 1.110 434 S CA -0.583 57.625 58.200 0.014 0.000 1.013 434 S CB 0.198 63.378 63.200 -0.033 0.000 1.152 434 S HN 0.692 nan 8.310 nan 0.000 0.450 435 I N 4.348 125.012 120.570 0.156 0.000 2.362 435 I HA 0.601 4.771 4.170 -0.000 0.000 0.289 435 I C -0.779 175.374 176.117 0.060 0.000 0.994 435 I CA -1.047 60.314 61.300 0.102 0.000 1.158 435 I CB 1.901 39.953 38.000 0.087 0.000 1.315 435 I HN 0.295 nan 8.210 nan 0.000 0.451 436 V N 5.800 125.744 119.914 0.051 0.000 2.443 436 V HA 0.392 4.512 4.120 -0.000 0.000 0.293 436 V C -0.557 175.563 176.094 0.045 0.000 1.021 436 V CA -0.726 61.601 62.300 0.045 0.000 0.848 436 V CB 1.715 33.569 31.823 0.052 0.000 0.998 436 V HN 0.682 nan 8.190 nan 0.000 0.424 437 N N 4.317 123.042 118.700 0.042 0.000 2.392 437 N HA 0.500 5.240 4.740 -0.000 0.000 0.283 437 N C -1.005 174.607 175.510 0.170 0.000 1.003 437 N CA -0.411 52.677 53.050 0.063 0.000 0.892 437 N CB 2.109 40.567 38.487 -0.050 0.000 1.193 437 N HN 0.695 nan 8.380 nan 0.000 0.487 438 N N -0.181 118.620 118.700 0.169 0.000 2.249 438 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 438 N C 0.394 175.975 175.510 0.119 0.000 1.051 438 N CA -0.549 52.587 53.050 0.142 0.000 0.815 438 N CB 2.406 40.934 38.487 0.069 0.000 1.487 438 N HN 0.681 nan 8.380 nan 0.000 0.475 439 G N 0.746 109.553 108.800 0.011 0.000 2.195 439 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.224 439 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.224 439 G C 0.083 174.962 174.900 -0.034 0.000 0.990 439 G CA -0.021 45.067 45.100 -0.019 0.000 0.639 439 G HN 0.835 nan 8.290 nan 0.000 0.514 440 H N 0.781 119.857 119.070 0.010 0.000 2.822 440 H HA 0.635 5.191 4.556 -0.000 0.000 0.373 440 H C 1.080 176.412 175.328 0.006 0.000 1.223 440 H CA 0.637 56.689 56.048 0.006 0.000 1.436 440 H CB 0.769 30.533 29.762 0.003 0.000 1.439 440 H HN 0.067 nan 8.280 nan 0.000 0.618 441 S N 1.099 116.826 115.700 0.046 0.000 2.517 441 S HA 0.161 4.631 4.470 -0.000 0.000 0.228 441 S C 1.601 176.213 174.600 0.019 0.000 1.060 441 S CA 0.161 58.355 58.200 -0.010 0.000 0.937 441 S CB -0.030 63.172 63.200 0.005 0.000 0.840 441 S HN 0.895 nan 8.310 nan 0.000 0.546 442 G N 3.170 112.011 108.800 0.069 0.000 2.608 442 G HA2 0.326 4.286 3.960 -0.000 0.000 0.212 442 G HA3 0.326 4.286 3.960 -0.000 0.000 0.212 442 G C -2.310 172.654 174.900 0.106 0.000 1.572 442 G CA -0.509 44.629 45.100 0.063 0.000 1.064 442 G HN 0.287 nan 8.290 nan 0.000 0.556 443 P HA 0.370 nan 4.420 nan 0.000 0.274 443 P C -0.254 177.112 177.300 0.111 0.000 1.237 443 P CA -0.105 63.043 63.100 0.079 0.000 0.793 443 P CB 0.785 32.502 31.700 0.028 0.000 0.977 444 A N 3.637 126.513 122.820 0.092 0.000 2.565 444 A HA 0.145 4.465 4.320 -0.000 0.000 0.237 444 A C -1.478 176.020 177.584 -0.143 0.000 1.053 444 A CA -0.743 51.269 52.037 -0.042 0.000 0.755 444 A CB -1.210 17.788 19.000 -0.004 0.000 0.980 444 A HN 0.449 nan 8.150 nan 0.000 0.506 445 P HA 0.088 nan 4.420 nan 0.000 0.232 445 P C 0.601 177.821 177.300 -0.133 0.000 1.738 445 P CA 0.053 63.039 63.100 -0.190 0.000 0.948 445 P CB -0.118 31.438 31.700 -0.240 0.000 1.943 446 L N 0.079 121.245 121.223 -0.095 0.000 2.275 446 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 446 L C 2.462 179.294 176.870 -0.064 0.000 1.119 446 L CA 1.262 56.059 54.840 -0.070 0.000 0.790 446 L CB -0.908 41.121 42.059 -0.051 0.000 0.919 446 L HN 0.133 nan 8.230 nan 0.000 0.443 447 A N 0.071 122.854 122.820 -0.062 0.000 1.898 447 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 447 A C 2.375 179.919 177.584 -0.067 0.000 1.181 447 A CA 1.332 53.336 52.037 -0.056 0.000 0.620 447 A CB -0.632 18.340 19.000 -0.046 0.000 0.819 447 A HN 0.154 nan 8.150 nan 0.000 0.442 448 V N 0.158 120.027 119.914 -0.075 0.000 2.295 448 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 448 V C 2.683 178.720 176.094 -0.096 0.000 1.049 448 V CA 2.345 64.595 62.300 -0.082 0.000 1.024 448 V CB -0.951 30.821 31.823 -0.084 0.000 0.648 448 V HN 0.656 nan 8.190 nan 0.000 0.447 449 Q N -0.374 119.371 119.800 -0.091 0.000 2.030 449 Q HA -0.247 4.092 4.340 -0.000 0.000 0.204 449 Q C 2.100 178.031 176.000 -0.116 0.000 0.986 449 Q CA 1.922 57.670 55.803 -0.091 0.000 0.843 449 Q CB -0.358 28.347 28.738 -0.054 0.000 0.904 449 Q HN 0.626 nan 8.270 nan 0.000 0.420 450 D N 0.513 120.859 120.400 -0.091 0.000 2.149 450 D HA -0.164 4.475 4.640 -0.000 0.000 0.198 450 D C 1.820 178.052 176.300 -0.112 0.000 0.990 450 D CA 1.359 55.303 54.000 -0.093 0.000 0.839 450 D CB -0.218 40.543 40.800 -0.065 0.000 0.948 450 D HN 0.288 nan 8.370 nan 0.000 0.460 451 A N 1.051 123.809 122.820 -0.103 0.000 1.883 451 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 451 A C 2.415 179.917 177.584 -0.137 0.000 1.186 451 A CA 1.062 53.039 52.037 -0.101 0.000 0.624 451 A CB -0.740 18.208 19.000 -0.086 0.000 0.822 451 A HN 0.189 nan 8.150 nan 0.000 0.444 452 I N -0.346 120.118 120.570 -0.177 0.000 2.142 452 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 452 I C 3.031 178.962 176.117 -0.310 0.000 1.078 452 I CA 1.035 62.189 61.300 -0.243 0.000 1.343 452 I CB -0.555 37.280 38.000 -0.276 0.000 1.046 452 I HN 0.365 nan 8.210 nan 0.000 0.405 453 A N 0.782 123.385 122.820 -0.363 0.000 1.892 453 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 453 A C 2.450 179.880 177.584 -0.255 0.000 1.188 453 A CA 2.288 54.059 52.037 -0.443 0.000 0.631 453 A CB -1.160 17.642 19.000 -0.330 0.000 0.822 453 A HN 0.262 nan 8.150 nan 0.000 0.447 454 V N -0.087 119.728 119.914 -0.166 0.000 2.287 454 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 454 V C 2.674 178.725 176.094 -0.071 0.000 1.053 454 V CA 2.447 64.688 62.300 -0.098 0.000 1.027 454 V CB -0.859 30.921 31.823 -0.072 0.000 0.646 454 V HN 0.649 nan 8.190 nan 0.000 0.447 455 R N 0.368 120.814 120.500 -0.091 0.000 2.091 455 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 455 R C 2.045 178.337 176.300 -0.013 0.000 1.136 455 R CA 1.774 57.843 56.100 -0.051 0.000 0.959 455 R CB -0.769 29.478 30.300 -0.088 0.000 0.856 455 R HN 0.510 nan 8.270 nan 0.000 0.437 456 L N -0.425 120.745 121.223 -0.087 0.000 2.093 456 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 456 L C 2.492 179.414 176.870 0.087 0.000 1.085 456 L CA 1.231 56.056 54.840 -0.025 0.000 0.755 456 L CB -0.769 41.193 42.059 -0.161 0.000 0.904 456 L HN 0.317 nan 8.230 nan 0.000 0.435 457 A N 0.374 123.205 122.820 0.020 0.000 1.892 457 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 457 A C 2.166 179.858 177.584 0.179 0.000 1.188 457 A CA 1.988 54.063 52.037 0.064 0.000 0.631 457 A CB -0.512 18.466 19.000 -0.038 0.000 0.822 457 A HN 0.469 nan 8.150 nan 0.000 0.447 458 E N -1.931 118.341 120.200 0.121 0.000 2.072 458 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 458 E C 1.871 178.541 176.600 0.117 0.000 0.985 458 E CA 1.364 57.832 56.400 0.113 0.000 0.801 458 E CB -0.309 29.434 29.700 0.072 0.000 0.750 458 E HN 0.786 nan 8.360 nan 0.000 0.452 459 Y N 0.816 121.134 120.300 0.029 0.000 2.333 459 Y HA -0.142 4.408 4.550 -0.000 0.000 0.290 459 Y C 1.909 177.836 175.900 0.044 0.000 1.144 459 Y CA 1.142 59.258 58.100 0.027 0.000 1.228 459 Y CB 0.057 38.527 38.460 0.017 0.000 0.985 459 Y HN -0.027 nan 8.280 nan 0.000 0.542 460 A N -0.833 122.095 122.820 0.179 0.000 2.251 460 A HA 0.404 4.724 4.320 -0.000 0.000 0.209 460 A C 1.759 179.343 177.584 -0.001 0.000 1.187 460 A CA 0.731 52.848 52.037 0.134 0.000 0.823 460 A CB -1.022 18.137 19.000 0.266 0.000 0.846 460 A HN 0.829 nan 8.150 nan 0.000 0.486 461 G N -1.479 107.291 108.800 -0.048 0.000 2.179 461 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 461 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 461 G C 0.083 174.859 174.900 -0.206 0.000 0.990 461 G CA 0.094 45.104 45.100 -0.151 0.000 0.646 461 G HN 0.637 nan 8.290 nan 0.000 0.517 462 H N 0.748 119.817 119.070 -0.001 0.000 2.508 462 H HA 0.543 5.099 4.556 -0.000 0.000 0.358 462 H C 0.605 175.932 175.328 -0.001 0.000 1.212 462 H CA 0.731 56.780 56.048 0.003 0.000 1.356 462 H CB 1.091 30.860 29.762 0.011 0.000 1.525 462 H HN 0.671 nan 8.280 nan 0.000 0.578 463 Q N 0.171 120.047 119.800 0.127 0.000 2.423 463 Q HA 0.701 5.041 4.340 -0.000 0.000 0.278 463 Q C -1.344 174.695 176.000 0.065 0.000 1.097 463 Q CA -1.386 54.457 55.803 0.066 0.000 0.809 463 Q CB 2.400 31.157 28.738 0.032 0.000 1.391 463 Q HN 0.605 nan 8.270 nan 0.000 0.428 464 A N 2.511 125.354 122.820 0.039 0.000 2.351 464 A HA 0.570 4.890 4.320 -0.000 0.000 0.257 464 A C -2.056 175.542 177.584 0.023 0.000 1.087 464 A CA -1.170 50.882 52.037 0.026 0.000 0.798 464 A CB -0.283 18.725 19.000 0.013 0.000 1.033 464 A HN 0.689 nan 8.150 nan 0.000 0.488 465 P HA 0.300 nan 4.420 nan 0.000 0.279 465 P C -0.725 176.582 177.300 0.011 0.000 1.239 465 P CA -0.125 62.985 63.100 0.017 0.000 0.789 465 P CB 1.015 32.724 31.700 0.016 0.000 0.933 466 E N 0.348 120.554 120.200 0.010 0.000 2.232 466 E HA 0.717 5.067 4.350 -0.000 0.000 0.265 466 E C 0.202 176.806 176.600 0.007 0.000 1.001 466 E CA -0.879 55.525 56.400 0.007 0.000 0.870 466 E CB 1.513 31.217 29.700 0.007 0.000 1.175 466 E HN 0.693 nan 8.360 nan 0.000 0.407 467 G N 0.000 108.803 108.800 0.005 0.000 5.446 467 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 467 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925