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 2wke_1_C 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 GHQAPE 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 0.000 176.446 176.300 0.244 0.000 0.893 1 R CA 0.000 56.178 56.100 0.131 0.000 0.921 1 R CB 0.000 30.346 30.300 0.076 0.000 0.687 2 L N 1.123 122.457 121.223 0.185 0.000 2.095 2 L HA -0.060 4.281 4.340 0.002 0.000 0.204 2 L C 2.078 179.005 176.870 0.096 0.000 1.080 2 L CA 2.212 57.142 54.840 0.150 0.000 0.759 2 L CB -0.062 42.063 42.059 0.110 0.000 0.914 2 L HN 0.981 nan 8.230 nan 0.000 0.439 3 T N -3.708 110.894 114.554 0.080 0.000 2.821 3 T HA -0.256 4.095 4.350 0.002 0.000 0.267 3 T C 1.627 176.366 174.700 0.065 0.000 1.046 3 T CA 1.333 63.471 62.100 0.063 0.000 1.139 3 T CB -0.277 68.619 68.868 0.047 0.000 0.871 3 T HN 0.350 nan 8.240 nan 0.000 0.454 4 E N 0.415 120.659 120.200 0.072 0.000 2.085 4 E HA -0.126 4.225 4.350 0.002 0.000 0.194 4 E C 2.107 178.747 176.600 0.066 0.000 0.994 4 E CA 1.096 57.536 56.400 0.067 0.000 0.801 4 E CB -0.241 29.502 29.700 0.072 0.000 0.743 4 E HN 0.464 nan 8.360 nan 0.000 0.453 5 L N 1.030 122.303 121.223 0.085 0.000 2.056 5 L HA -0.127 4.214 4.340 0.002 0.000 0.207 5 L C 2.287 179.152 176.870 -0.008 0.000 1.078 5 L CA 1.589 56.441 54.840 0.021 0.000 0.749 5 L CB -0.176 41.832 42.059 -0.085 0.000 0.901 5 L HN -0.004 nan 8.230 nan 0.000 0.433 6 R N -0.431 120.108 120.500 0.065 0.000 2.075 6 R HA -0.121 4.220 4.340 0.002 0.000 0.232 6 R C 2.125 178.514 176.300 0.148 0.000 1.126 6 R CA 1.654 57.862 56.100 0.181 0.000 0.963 6 R CB -0.358 30.049 30.300 0.180 0.000 0.858 6 R HN 0.527 nan 8.270 nan 0.000 0.435 7 E N 0.485 120.734 120.200 0.081 0.000 2.110 7 E HA -0.182 4.169 4.350 0.002 0.000 0.193 7 E C 1.394 178.010 176.600 0.026 0.000 0.988 7 E CA 1.166 57.600 56.400 0.057 0.000 0.804 7 E CB -0.015 29.709 29.700 0.040 0.000 0.745 7 E HN 0.296 nan 8.360 nan 0.000 0.458 8 D N 0.617 121.016 120.400 -0.001 0.000 2.117 8 D HA -0.093 4.548 4.640 0.002 0.000 0.198 8 D C 1.957 178.204 176.300 -0.087 0.000 0.982 8 D CA 0.797 54.776 54.000 -0.036 0.000 0.828 8 D CB -0.095 40.682 40.800 -0.038 0.000 0.967 8 D HN 0.182 nan 8.370 nan 0.000 0.464 9 I N 0.940 121.413 120.570 -0.162 0.000 2.353 9 I HA -0.201 3.970 4.170 0.002 0.000 0.248 9 I C 1.766 177.782 176.117 -0.168 0.000 1.119 9 I CA 0.813 61.920 61.300 -0.321 0.000 1.417 9 I CB -0.141 37.365 38.000 -0.824 0.000 1.078 9 I HN -0.124 nan 8.210 nan 0.000 0.421 10 D N 1.443 121.849 120.400 0.009 0.000 2.116 10 D HA -0.209 4.432 4.640 0.002 0.000 0.193 10 D C 2.262 178.579 176.300 0.028 0.000 0.998 10 D CA 1.821 55.878 54.000 0.096 0.000 0.836 10 D CB -0.202 40.669 40.800 0.119 0.000 0.951 10 D HN 0.352 nan 8.370 nan 0.000 0.449 11 A N 0.564 123.386 122.820 0.002 0.000 1.902 11 A HA -0.157 4.164 4.320 0.002 0.000 0.217 11 A C 2.434 180.004 177.584 -0.024 0.000 1.181 11 A CA 1.086 53.117 52.037 -0.009 0.000 0.623 11 A CB -0.777 18.215 19.000 -0.012 0.000 0.818 11 A HN 0.226 nan 8.150 nan 0.000 0.443 12 I N -0.314 120.226 120.570 -0.050 0.000 2.286 12 I HA -0.248 3.923 4.170 0.002 0.000 0.248 12 I C 2.086 178.174 176.117 -0.049 0.000 1.115 12 I CA 1.059 62.321 61.300 -0.063 0.000 1.392 12 I CB -0.250 37.690 38.000 -0.101 0.000 1.065 12 I HN 0.266 nan 8.210 nan 0.000 0.418 13 L N 0.426 121.626 121.223 -0.038 0.000 2.456 13 L HA -0.103 4.238 4.340 0.002 0.000 0.224 13 L C 1.296 178.167 176.870 0.001 0.000 1.148 13 L CA 0.575 55.407 54.840 -0.012 0.000 0.825 13 L CB -0.376 41.696 42.059 0.021 0.000 0.937 13 L HN 0.242 nan 8.230 nan 0.000 0.450 14 E N 0.158 120.358 120.200 -0.000 0.000 2.320 14 E HA 0.038 4.389 4.350 0.002 0.000 0.189 14 E C -0.367 176.232 176.600 -0.002 0.000 1.100 14 E CA 0.052 56.455 56.400 0.004 0.000 1.009 14 E CB -0.392 29.312 29.700 0.007 0.000 1.145 14 E HN 0.347 nan 8.360 nan 0.000 0.454 15 D N 0.777 121.171 120.400 -0.009 0.000 2.308 15 D HA 0.086 4.727 4.640 0.002 0.000 0.251 15 D C -1.547 174.749 176.300 -0.006 0.000 1.127 15 D CA -2.108 51.884 54.000 -0.014 0.000 0.876 15 D CB 1.516 42.300 40.800 -0.027 0.000 1.176 15 D HN -0.219 nan 8.370 nan 0.000 0.446 16 P HA -0.208 nan 4.420 nan 0.000 0.218 16 P C 0.578 177.883 177.300 0.008 0.000 1.146 16 P CA 1.072 64.173 63.100 0.003 0.000 0.820 16 P CB 0.109 31.810 31.700 0.001 0.000 0.778 17 A N -1.541 121.277 122.820 -0.003 0.000 2.168 17 A HA -0.016 4.305 4.320 0.002 0.000 0.215 17 A C 1.767 179.356 177.584 0.008 0.000 1.152 17 A CA 0.895 52.930 52.037 -0.004 0.000 0.716 17 A CB -1.003 17.975 19.000 -0.038 0.000 0.794 17 A HN 0.197 nan 8.150 nan 0.000 0.465 18 L N -0.627 120.603 121.223 0.011 0.000 2.857 18 L HA 0.196 4.537 4.340 0.002 0.000 0.249 18 L C 0.033 176.932 176.870 0.047 0.000 1.172 18 L CA -0.331 54.528 54.840 0.032 0.000 0.980 18 L CB 0.200 42.264 42.059 0.008 0.000 1.299 18 L HN 0.174 nan 8.230 nan 0.000 0.535 19 E N 1.108 121.333 120.200 0.041 0.000 2.498 19 E HA 0.169 4.520 4.350 0.002 0.000 0.252 19 E C 1.187 177.813 176.600 0.042 0.000 1.025 19 E CA 1.077 57.498 56.400 0.035 0.000 0.938 19 E CB 0.166 29.883 29.700 0.028 0.000 0.947 19 E HN 0.346 nan 8.360 nan 0.000 0.478 20 G N 2.606 111.427 108.800 0.035 0.000 2.160 20 G HA2 -0.225 3.736 3.960 0.002 0.000 0.251 20 G HA3 -0.225 3.736 3.960 0.002 0.000 0.251 20 G C 0.248 175.172 174.900 0.039 0.000 1.008 20 G CA 0.177 45.295 45.100 0.031 0.000 0.724 20 G HN 0.771 nan 8.290 nan 0.000 0.514 21 A N -1.157 121.697 122.820 0.056 0.000 2.299 21 A HA 0.908 5.229 4.320 0.002 0.000 0.332 21 A C 0.047 177.669 177.584 0.064 0.000 1.131 21 A CA -0.215 51.868 52.037 0.077 0.000 0.844 21 A CB 1.911 20.996 19.000 0.141 0.000 1.251 21 A HN 1.129 nan 8.150 nan 0.000 0.486 22 V N 0.800 120.755 119.914 0.069 0.000 2.483 22 V HA 0.582 4.703 4.120 0.002 0.000 0.295 22 V C 0.048 176.184 176.094 0.070 0.000 1.035 22 V CA -0.266 62.068 62.300 0.058 0.000 0.896 22 V CB 1.519 33.368 31.823 0.044 0.000 0.986 22 V HN 0.777 nan 8.190 nan 0.000 0.447 23 S N 2.753 118.490 115.700 0.062 0.000 2.774 23 S HA 0.528 4.999 4.470 0.002 0.000 0.297 23 S C 0.275 174.919 174.600 0.072 0.000 1.143 23 S CA -0.517 57.722 58.200 0.065 0.000 1.090 23 S CB 1.426 64.661 63.200 0.059 0.000 1.019 23 S HN 1.062 nan 8.310 nan 0.000 0.482 24 G N 2.087 110.929 108.800 0.071 0.000 2.365 24 G HA2 0.501 4.462 3.960 0.002 0.000 0.293 24 G HA3 0.501 4.462 3.960 0.002 0.000 0.293 24 G C -0.609 174.351 174.900 0.100 0.000 1.128 24 G CA -0.251 44.896 45.100 0.077 0.000 0.971 24 G HN 0.571 nan 8.290 nan 0.000 0.422 25 V N 3.540 123.537 119.914 0.138 0.000 2.409 25 V HA 0.403 4.524 4.120 0.002 0.000 0.290 25 V C -0.374 175.863 176.094 0.238 0.000 1.017 25 V CA -0.698 61.716 62.300 0.191 0.000 0.841 25 V CB 1.593 33.559 31.823 0.238 0.000 1.003 25 V HN 0.503 nan 8.190 nan 0.000 0.426 26 V N 5.487 125.517 119.914 0.192 0.000 2.531 26 V HA 0.581 4.702 4.120 0.002 0.000 0.301 26 V C -0.434 175.771 176.094 0.185 0.000 1.034 26 V CA -0.600 61.803 62.300 0.173 0.000 0.865 26 V CB 2.256 34.142 31.823 0.106 0.000 0.995 26 V HN 0.591 nan 8.190 nan 0.000 0.424 27 V N 5.438 125.464 119.914 0.186 0.000 2.487 27 V HA 0.619 4.740 4.120 0.002 0.000 0.298 27 V C -0.389 175.771 176.094 0.110 0.000 1.028 27 V CA -0.585 61.806 62.300 0.151 0.000 0.860 27 V CB 1.942 33.818 31.823 0.089 0.000 0.991 27 V HN 0.586 nan 8.190 nan 0.000 0.427 28 V N 2.940 122.923 119.914 0.115 0.000 2.656 28 V HA 0.432 4.553 4.120 0.002 0.000 0.307 28 V C -0.551 175.612 176.094 0.116 0.000 1.051 28 V CA -0.650 61.709 62.300 0.099 0.000 0.893 28 V CB 2.286 34.163 31.823 0.090 0.000 0.999 28 V HN 0.919 nan 8.190 nan 0.000 0.426 29 D N 2.709 123.171 120.400 0.105 0.000 2.339 29 D HA 0.097 4.738 4.640 0.002 0.000 0.256 29 D C 1.245 177.610 176.300 0.108 0.000 1.214 29 D CA 0.249 54.321 54.000 0.120 0.000 0.877 29 D CB 1.865 42.737 40.800 0.119 0.000 1.111 29 D HN 0.760 nan 8.370 nan 0.000 0.478 30 T N 0.910 115.537 114.554 0.122 0.000 3.113 30 T HA 0.188 4.539 4.350 0.002 0.000 0.256 30 T C 1.427 176.170 174.700 0.072 0.000 1.131 30 T CA 0.508 62.672 62.100 0.106 0.000 1.074 30 T CB 0.281 69.233 68.868 0.140 0.000 0.944 30 T HN 0.278 nan 8.240 nan 0.000 0.516 31 A N 1.955 124.816 122.820 0.068 0.000 1.997 31 A HA 0.199 4.519 4.320 0.002 0.000 0.212 31 A C 2.484 180.093 177.584 0.042 0.000 1.178 31 A CA 1.155 53.221 52.037 0.047 0.000 0.698 31 A CB -0.518 18.510 19.000 0.046 0.000 0.842 31 A HN 0.626 nan 8.150 nan 0.000 0.458 32 T N -5.597 108.988 114.554 0.052 0.000 2.990 32 T HA 0.412 4.763 4.350 0.002 0.000 0.250 32 T C 1.492 176.218 174.700 0.043 0.000 1.041 32 T CA 1.176 63.303 62.100 0.045 0.000 1.010 32 T CB 0.355 69.253 68.868 0.050 0.000 1.003 32 T HN 1.607 nan 8.240 nan 0.000 0.499 33 G N 1.647 110.478 108.800 0.052 0.000 2.179 33 G HA2 -0.299 3.662 3.960 0.002 0.000 0.260 33 G HA3 -0.299 3.662 3.960 0.002 0.000 0.260 33 G C -0.117 174.812 174.900 0.049 0.000 0.977 33 G CA 0.295 45.424 45.100 0.049 0.000 0.641 33 G HN 0.853 nan 8.290 nan 0.000 0.533 34 E N 1.152 121.385 120.200 0.054 0.000 2.585 34 E HA 0.188 4.539 4.350 0.002 0.000 0.252 34 E C 0.535 177.167 176.600 0.054 0.000 0.981 34 E CA 0.034 56.465 56.400 0.053 0.000 0.943 34 E CB 0.164 29.902 29.700 0.064 0.000 0.923 34 E HN 0.493 nan 8.360 nan 0.000 0.486 35 E N 5.503 125.728 120.200 0.042 0.000 2.166 35 E HA 0.003 4.354 4.350 0.002 0.000 0.279 35 E C 0.436 177.057 176.600 0.035 0.000 1.095 35 E CA -0.222 56.202 56.400 0.040 0.000 0.888 35 E CB 0.516 30.232 29.700 0.025 0.000 1.041 35 E HN 0.689 nan 8.360 nan 0.000 0.414 36 L N 4.558 125.806 121.223 0.042 0.000 2.375 36 L HA 0.144 4.485 4.340 0.002 0.000 0.215 36 L C 0.084 177.010 176.870 0.093 0.000 1.108 36 L CA 0.242 55.092 54.840 0.017 0.000 0.830 36 L CB 0.122 42.132 42.059 -0.082 0.000 0.959 36 L HN 0.593 nan 8.230 nan 0.000 0.457 37 Y N -1.050 119.222 120.300 -0.045 0.000 2.521 37 Y HA 0.398 4.949 4.550 0.002 0.000 0.328 37 Y C -1.080 174.815 175.900 -0.009 0.000 1.151 37 Y CA -0.865 57.213 58.100 -0.036 0.000 1.054 37 Y CB 1.832 40.259 38.460 -0.056 0.000 1.338 37 Y HN -0.267 nan 8.280 nan 0.000 0.453 38 S N 5.603 121.087 115.700 -0.360 0.000 2.649 38 S HA 0.639 5.110 4.470 0.002 0.000 0.274 38 S C -1.958 172.449 174.600 -0.321 0.000 1.176 38 S CA -0.658 57.432 58.200 -0.184 0.000 0.988 38 S CB 0.898 64.038 63.200 -0.098 0.000 1.071 38 S HN 0.790 nan 8.310 nan 0.000 0.478 39 R N 3.390 123.813 120.500 -0.129 0.000 2.515 39 R HA 0.343 4.684 4.340 0.002 0.000 0.291 39 R C -0.958 175.347 176.300 0.008 0.000 1.046 39 R CA -0.271 55.783 56.100 -0.078 0.000 0.914 39 R CB 0.648 30.946 30.300 -0.004 0.000 1.191 39 R HN 0.770 nan 8.270 nan 0.000 0.435 40 D N 2.869 123.266 120.400 -0.005 0.000 2.911 40 D HA -0.161 4.480 4.640 0.002 0.000 0.227 40 D C 0.847 177.162 176.300 0.025 0.000 1.164 40 D CA 1.384 55.392 54.000 0.015 0.000 0.782 40 D CB -0.601 40.216 40.800 0.029 0.000 1.094 40 D HN 0.930 nan 8.370 nan 0.000 0.425 41 G N 0.309 109.122 108.800 0.021 0.000 2.470 41 G HA2 -0.052 3.909 3.960 0.002 0.000 0.220 41 G HA3 -0.052 3.909 3.960 0.002 0.000 0.220 41 G C 1.508 176.426 174.900 0.031 0.000 1.121 41 G CA 1.018 46.138 45.100 0.034 0.000 0.766 41 G HN 0.439 nan 8.290 nan 0.000 0.553 42 G N -0.499 108.312 108.800 0.019 0.000 3.042 42 G HA2 0.251 4.212 3.960 0.002 0.000 0.212 42 G HA3 0.251 4.212 3.960 0.002 0.000 0.212 42 G C 0.359 175.268 174.900 0.014 0.000 1.166 42 G CA -0.188 44.921 45.100 0.016 0.000 0.767 42 G HN 0.403 nan 8.290 nan 0.000 0.546 43 E N 0.891 121.102 120.200 0.018 0.000 2.316 43 E HA 0.243 4.594 4.350 0.002 0.000 0.275 43 E C 0.200 176.811 176.600 0.018 0.000 1.029 43 E CA -0.126 56.285 56.400 0.017 0.000 0.871 43 E CB 0.409 30.122 29.700 0.022 0.000 1.022 43 E HN 0.231 nan 8.360 nan 0.000 0.418 44 Q N 3.538 123.344 119.800 0.010 0.000 2.295 44 Q HA 0.367 4.708 4.340 0.002 0.000 0.259 44 Q C -0.683 175.322 176.000 0.009 0.000 0.976 44 Q CA -0.066 55.740 55.803 0.004 0.000 0.923 44 Q CB 0.703 29.437 28.738 -0.006 0.000 1.185 44 Q HN 0.461 nan 8.270 nan 0.000 0.410 45 L N 2.241 123.473 121.223 0.014 0.000 2.393 45 L HA 0.484 4.825 4.340 0.002 0.000 0.260 45 L C -0.527 176.353 176.870 0.017 0.000 1.002 45 L CA -1.040 53.812 54.840 0.021 0.000 0.818 45 L CB 1.659 43.739 42.059 0.036 0.000 1.369 45 L HN 0.433 nan 8.230 nan 0.000 0.412 46 L N 3.503 124.734 121.223 0.013 0.000 2.462 46 L HA 0.119 4.460 4.340 0.002 0.000 0.272 46 L C -1.405 175.479 176.870 0.023 0.000 1.166 46 L CA -0.966 53.878 54.840 0.007 0.000 0.880 46 L CB 0.573 42.628 42.059 -0.007 0.000 1.142 46 L HN 0.443 nan 8.230 nan 0.000 0.473 47 P HA 0.040 nan 4.420 nan 0.000 0.252 47 P C 0.772 178.088 177.300 0.027 0.000 1.218 47 P CA 0.760 63.891 63.100 0.051 0.000 0.807 47 P CB 0.654 32.415 31.700 0.100 0.000 1.072 48 A N 1.020 123.841 122.820 0.002 0.000 5.568 48 A HA -0.303 4.018 4.320 0.002 0.000 0.322 48 A C 1.895 179.476 177.584 -0.006 0.000 1.802 48 A CA 2.041 54.062 52.037 -0.026 0.000 0.727 48 A CB -2.390 16.582 19.000 -0.048 0.000 1.362 48 A HN 0.205 nan 8.150 nan 0.000 0.396 49 S N 0.672 116.353 115.700 -0.032 0.000 2.537 49 S HA -0.109 4.362 4.470 0.002 0.000 0.240 49 S C 1.395 175.978 174.600 -0.028 0.000 0.981 49 S CA 1.269 59.451 58.200 -0.029 0.000 0.948 49 S CB -0.683 62.478 63.200 -0.065 0.000 0.759 49 S HN 0.628 nan 8.310 nan 0.000 0.531 50 N N 1.438 120.129 118.700 -0.016 0.000 2.443 50 N HA -0.035 4.706 4.740 0.002 0.000 0.184 50 N C 1.414 176.971 175.510 0.079 0.000 1.037 50 N CA 0.530 53.572 53.050 -0.014 0.000 0.896 50 N CB -0.367 38.118 38.487 -0.004 0.000 0.959 50 N HN 0.310 nan 8.380 nan 0.000 0.442 51 M N 1.148 120.843 119.600 0.159 0.000 2.149 51 M HA -0.115 4.366 4.480 0.002 0.000 0.261 51 M C 1.322 177.793 176.300 0.284 0.000 1.064 51 M CA 1.574 57.056 55.300 0.303 0.000 1.102 51 M CB -0.082 32.641 32.600 0.204 0.000 1.369 51 M HN -0.063 nan 8.290 nan 0.000 0.408 52 K N -0.307 120.183 120.400 0.150 0.000 2.281 52 K HA -0.156 4.165 4.320 0.002 0.000 0.203 52 K C 1.837 178.483 176.600 0.078 0.000 1.046 52 K CA 1.225 57.594 56.287 0.137 0.000 0.938 52 K CB -0.506 31.960 32.500 -0.056 0.000 0.737 52 K HN 0.429 nan 8.250 nan 0.000 0.458 53 L N -0.333 120.874 121.223 -0.026 0.000 2.017 53 L HA -0.191 4.150 4.340 0.002 0.000 0.208 53 L C 2.112 179.001 176.870 0.031 0.000 1.073 53 L CA 1.496 56.299 54.840 -0.062 0.000 0.745 53 L CB -0.452 41.438 42.059 -0.283 0.000 0.894 53 L HN 0.113 nan 8.230 nan 0.000 0.432 54 F N -0.581 119.487 119.950 0.197 0.000 2.186 54 F HA -0.175 4.353 4.527 0.002 0.000 0.299 54 F C 2.621 178.514 175.800 0.155 0.000 1.090 54 F CA 1.339 59.433 58.000 0.157 0.000 1.307 54 F CB -1.058 38.005 39.000 0.106 0.000 1.019 54 F HN -0.015 nan 8.300 nan 0.000 0.489 55 T N 0.098 114.858 114.554 0.344 0.000 2.701 55 T HA -0.176 4.175 4.350 0.002 0.000 0.263 55 T C 2.369 177.234 174.700 0.274 0.000 1.040 55 T CA 1.330 63.604 62.100 0.290 0.000 1.147 55 T CB -0.753 68.318 68.868 0.338 0.000 0.865 55 T HN 0.286 nan 8.240 nan 0.000 0.426 56 A N 1.770 124.806 122.820 0.360 0.000 1.884 56 A HA -0.044 4.277 4.320 0.002 0.000 0.219 56 A C 2.662 180.341 177.584 0.158 0.000 1.197 56 A CA 2.345 54.603 52.037 0.367 0.000 0.637 56 A CB -1.341 17.874 19.000 0.359 0.000 0.827 56 A HN 0.534 nan 8.150 nan 0.000 0.450 57 A N -0.448 122.457 122.820 0.142 0.000 1.877 57 A HA 0.138 4.459 4.320 0.002 0.000 0.216 57 A C 2.547 180.019 177.584 -0.188 0.000 1.186 57 A CA 2.375 54.249 52.037 -0.272 0.000 0.620 57 A CB -1.135 17.719 19.000 -0.243 0.000 0.822 57 A HN 1.217 nan 8.150 nan 0.000 0.443 58 A N -0.246 122.577 122.820 0.006 0.000 1.940 58 A HA 0.134 4.455 4.320 0.002 0.000 0.219 58 A C 2.479 180.048 177.584 -0.025 0.000 1.176 58 A CA 2.177 54.231 52.037 0.029 0.000 0.631 58 A CB -0.939 18.112 19.000 0.086 0.000 0.814 58 A HN 1.072 nan 8.150 nan 0.000 0.446 59 A N -0.387 122.413 122.820 -0.032 0.000 1.930 59 A HA 0.051 4.372 4.320 0.002 0.000 0.217 59 A C 2.153 179.658 177.584 -0.132 0.000 1.175 59 A CA 1.309 53.316 52.037 -0.049 0.000 0.627 59 A CB -0.533 18.472 19.000 0.008 0.000 0.815 59 A HN 0.464 nan 8.150 nan 0.000 0.443 60 L N -0.607 120.439 121.223 -0.294 0.000 1.994 60 L HA -0.195 4.146 4.340 0.002 0.000 0.208 60 L C 2.739 179.446 176.870 -0.272 0.000 1.071 60 L CA 1.423 55.958 54.840 -0.509 0.000 0.745 60 L CB -0.611 40.606 42.059 -1.402 0.000 0.892 60 L HN 0.327 nan 8.230 nan 0.000 0.431 61 E N -0.037 120.078 120.200 -0.143 0.000 2.038 61 E HA -0.195 4.156 4.350 0.002 0.000 0.195 61 E C 2.308 178.943 176.600 0.058 0.000 1.000 61 E CA 1.452 57.926 56.400 0.123 0.000 0.803 61 E CB -0.403 29.391 29.700 0.157 0.000 0.750 61 E HN 0.294 nan 8.360 nan 0.000 0.448 62 V N 0.973 120.887 119.914 0.001 0.000 2.323 62 V HA -0.175 3.946 4.120 0.002 0.000 0.244 62 V C 2.434 178.500 176.094 -0.047 0.000 1.041 62 V CA 1.328 63.621 62.300 -0.011 0.000 1.025 62 V CB -0.339 31.471 31.823 -0.022 0.000 0.656 62 V HN 0.161 nan 8.190 nan 0.000 0.451 63 L N -0.529 120.630 121.223 -0.106 0.000 2.298 63 L HA 0.482 4.823 4.340 0.002 0.000 0.209 63 L C 1.110 177.946 176.870 -0.057 0.000 1.084 63 L CA 0.760 55.465 54.840 -0.226 0.000 0.816 63 L CB -0.463 41.320 42.059 -0.459 0.000 0.967 63 L HN 0.526 nan 8.230 nan 0.000 0.460 64 G N -0.440 108.347 108.800 -0.021 0.000 2.719 64 G HA2 -0.084 3.877 3.960 0.002 0.000 0.686 64 G HA3 -0.084 3.877 3.960 0.002 0.000 0.686 64 G C 0.513 175.440 174.900 0.045 0.000 1.201 64 G CA -0.354 44.773 45.100 0.045 0.000 0.768 64 G HN 0.197 nan 8.290 nan 0.000 0.629 65 A N 0.531 123.394 122.820 0.072 0.000 2.131 65 A HA 0.054 4.375 4.320 0.002 0.000 0.220 65 A C 1.945 179.570 177.584 0.068 0.000 1.158 65 A CA 2.378 54.464 52.037 0.081 0.000 0.665 65 A CB -0.247 18.838 19.000 0.141 0.000 0.795 65 A HN 1.405 nan 8.150 nan 0.000 0.460 66 D N -2.079 118.354 120.400 0.056 0.000 2.369 66 D HA 0.040 4.681 4.640 0.002 0.000 0.211 66 D C 0.360 176.640 176.300 -0.034 0.000 1.077 66 D CA -0.369 53.641 54.000 0.016 0.000 0.842 66 D CB -0.857 39.952 40.800 0.014 0.000 0.947 66 D HN 0.520 nan 8.370 nan 0.000 0.509 67 H N 1.152 120.140 119.070 -0.137 0.000 2.848 67 H HA 0.317 4.874 4.556 0.002 0.000 0.341 67 H C 0.173 175.254 175.328 -0.411 0.000 1.060 67 H CA 0.303 56.181 56.048 -0.284 0.000 1.444 67 H CB 0.714 30.276 29.762 -0.333 0.000 1.446 67 H HN 0.080 nan 8.280 nan 0.000 0.583 68 S N 3.582 118.817 115.700 -0.775 0.000 2.671 68 S HA 0.637 5.108 4.470 0.002 0.000 0.299 68 S C -1.221 172.853 174.600 -0.877 0.000 1.116 68 S CA -0.922 56.901 58.200 -0.627 0.000 0.912 68 S CB 1.465 64.469 63.200 -0.327 0.000 1.130 68 S HN 0.393 nan 8.310 nan 0.000 0.501 69 F N -0.213 119.625 119.950 -0.186 0.000 2.546 69 F HA 0.765 5.293 4.527 0.002 0.000 0.320 69 F C 0.816 176.493 175.800 -0.205 0.000 1.076 69 F CA -0.462 57.443 58.000 -0.159 0.000 0.928 69 F CB 2.421 41.376 39.000 -0.076 0.000 1.189 69 F HN 0.984 nan 8.300 nan 0.000 0.465 70 G N 0.377 109.139 108.800 -0.064 0.000 2.481 70 G HA2 0.671 4.632 3.960 0.002 0.000 0.315 70 G HA3 0.671 4.632 3.960 0.002 0.000 0.315 70 G C -1.433 173.385 174.900 -0.137 0.000 1.231 70 G CA -0.674 44.344 45.100 -0.137 0.000 0.968 70 G HN 0.533 nan 8.290 nan 0.000 0.482 71 T N 0.592 115.092 114.554 -0.089 0.000 2.906 71 T HA 0.676 5.027 4.350 0.002 0.000 0.295 71 T C -0.797 173.856 174.700 -0.078 0.000 1.061 71 T CA -0.591 61.453 62.100 -0.092 0.000 1.000 71 T CB 2.485 71.326 68.868 -0.046 0.000 1.103 71 T HN 0.542 nan 8.240 nan 0.000 0.486 72 E N 0.515 120.655 120.200 -0.100 0.000 2.413 72 E HA 0.618 4.969 4.350 0.002 0.000 0.277 72 E C -1.546 175.010 176.600 -0.073 0.000 0.958 72 E CA -0.891 55.469 56.400 -0.067 0.000 0.779 72 E CB 2.568 32.231 29.700 -0.062 0.000 1.278 72 E HN 0.290 nan 8.360 nan 0.000 0.456 73 V N 1.269 121.173 119.914 -0.016 0.000 2.444 73 V HA 0.745 4.866 4.120 0.002 0.000 0.294 73 V C -0.606 175.556 176.094 0.113 0.000 1.022 73 V CA -0.571 61.750 62.300 0.034 0.000 0.850 73 V CB 1.215 33.087 31.823 0.082 0.000 0.992 73 V HN 0.727 nan 8.190 nan 0.000 0.426 74 A N 3.820 126.755 122.820 0.192 0.000 2.401 74 A HA 1.032 5.353 4.320 0.002 0.000 0.310 74 A C -0.309 177.518 177.584 0.405 0.000 1.075 74 A CA -0.229 51.957 52.037 0.249 0.000 0.746 74 A CB 1.913 21.055 19.000 0.237 0.000 1.277 74 A HN 1.400 nan 8.150 nan 0.000 0.425 75 A N 0.227 123.184 122.820 0.228 0.000 2.479 75 A HA 0.691 5.012 4.320 0.002 0.000 0.296 75 A C 0.577 177.829 177.584 -0.552 0.000 1.121 75 A CA -0.066 51.972 52.037 0.001 0.000 0.743 75 A CB 1.042 20.044 19.000 0.004 0.000 1.323 75 A HN 0.930 nan 8.150 nan 0.000 0.415 76 E N -0.008 119.418 120.200 -1.289 0.000 2.150 76 E HA -0.010 4.341 4.350 0.002 0.000 0.193 76 E C -0.129 176.115 176.600 -0.593 0.000 0.985 76 E CA 1.311 56.837 56.400 -1.457 0.000 0.814 76 E CB 0.120 28.839 29.700 -1.636 0.000 0.752 76 E HN 0.622 nan 8.360 nan 0.000 0.466 77 S N -1.039 114.431 115.700 -0.384 0.000 2.579 77 S HA 0.594 5.065 4.470 0.002 0.000 0.272 77 S C -0.859 173.662 174.600 -0.131 0.000 1.141 77 S CA -0.596 57.480 58.200 -0.208 0.000 0.843 77 S CB 1.751 64.848 63.200 -0.170 0.000 1.122 77 S HN 0.316 nan 8.310 nan 0.000 0.468 78 A N 2.643 125.413 122.820 -0.082 0.000 2.507 78 A HA 0.485 4.806 4.320 0.002 0.000 0.235 78 A C -2.225 175.332 177.584 -0.044 0.000 1.070 78 A CA -0.719 51.289 52.037 -0.048 0.000 0.768 78 A CB -0.938 18.041 19.000 -0.034 0.000 1.011 78 A HN 0.553 nan 8.150 nan 0.000 0.502 79 P HA 0.115 nan 4.420 nan 0.000 0.262 79 P C 0.586 177.874 177.300 -0.021 0.000 1.182 79 P CA 0.619 63.707 63.100 -0.019 0.000 0.761 79 P CB 0.304 31.999 31.700 -0.008 0.000 0.795 80 G N 2.488 111.276 108.800 -0.021 0.000 2.516 80 G HA2 0.029 3.990 3.960 0.002 0.000 0.276 80 G HA3 0.029 3.990 3.960 0.002 0.000 0.276 80 G C 1.081 175.973 174.900 -0.014 0.000 1.390 80 G CA -0.515 44.574 45.100 -0.019 0.000 1.050 80 G HN 0.499 nan 8.290 nan 0.000 0.519 81 R N -0.767 119.726 120.500 -0.012 0.000 2.117 81 R HA -0.090 4.251 4.340 0.002 0.000 0.243 81 R C 2.175 178.470 176.300 -0.008 0.000 1.143 81 R CA 1.519 57.614 56.100 -0.010 0.000 0.968 81 R CB -0.084 30.211 30.300 -0.009 0.000 0.863 81 R HN 0.423 nan 8.270 nan 0.000 0.444 82 R N -0.919 119.576 120.500 -0.008 0.000 2.426 82 R HA 0.083 4.424 4.340 0.002 0.000 0.263 82 R C 0.233 176.529 176.300 -0.006 0.000 0.961 82 R CA 0.639 56.735 56.100 -0.006 0.000 1.086 82 R CB 0.406 30.703 30.300 -0.005 0.000 1.186 82 R HN 0.481 nan 8.270 nan 0.000 0.537 83 G N 0.934 109.729 108.800 -0.007 0.000 2.249 83 G HA2 -0.296 3.665 3.960 0.002 0.000 0.273 83 G HA3 -0.296 3.665 3.960 0.002 0.000 0.273 83 G C -0.416 174.482 174.900 -0.004 0.000 1.036 83 G CA 0.361 45.458 45.100 -0.006 0.000 0.824 83 G HN 0.445 nan 8.290 nan 0.000 0.504 84 E N -1.126 119.071 120.200 -0.004 0.000 2.202 84 E HA 0.670 5.021 4.350 0.002 0.000 0.272 84 E C -0.203 176.397 176.600 0.001 0.000 0.951 84 E CA -0.872 55.528 56.400 0.001 0.000 0.813 84 E CB 2.600 32.301 29.700 0.002 0.000 1.151 84 E HN 0.105 nan 8.360 nan 0.000 0.398 85 V N 1.751 121.673 119.914 0.013 0.000 3.102 85 V HA 0.101 4.222 4.120 0.002 0.000 0.312 85 V C 0.346 176.465 176.094 0.042 0.000 1.135 85 V CA -0.663 61.647 62.300 0.017 0.000 1.022 85 V CB 1.980 33.823 31.823 0.033 0.000 1.056 85 V HN 0.626 nan 8.190 nan 0.000 0.436 86 Q N 0.925 120.757 119.800 0.053 0.000 1.596 86 Q HA 0.169 4.510 4.340 0.002 0.000 0.516 86 Q C 0.028 176.133 176.000 0.174 0.000 0.916 86 Q CA 0.884 56.746 55.803 0.100 0.000 0.888 86 Q CB -0.038 28.760 28.738 0.100 0.000 1.242 86 Q HN 0.790 nan 8.270 nan 0.000 0.383 87 D N -0.088 120.492 120.400 0.300 0.000 2.339 87 D HA 0.358 4.999 4.640 0.002 0.000 0.245 87 D C -0.923 175.669 176.300 0.488 0.000 1.115 87 D CA -0.106 54.153 54.000 0.433 0.000 0.917 87 D CB 0.929 42.140 40.800 0.686 0.000 1.192 87 D HN 0.178 nan 8.370 nan 0.000 0.428 88 L N 1.835 123.298 121.223 0.399 0.000 2.431 88 L HA 0.386 4.726 4.340 0.002 0.000 0.266 88 L C -1.833 175.224 176.870 0.311 0.000 0.978 88 L CA -0.682 54.405 54.840 0.411 0.000 0.822 88 L CB 1.531 43.751 42.059 0.267 0.000 1.310 88 L HN 0.233 nan 8.230 nan 0.000 0.409 89 Y N 4.623 125.079 120.300 0.260 0.000 2.331 89 Y HA 0.561 5.112 4.550 0.001 0.000 0.334 89 Y C -0.545 175.369 175.900 0.023 0.000 0.960 89 Y CA -0.761 57.423 58.100 0.139 0.000 1.130 89 Y CB 1.921 40.402 38.460 0.036 0.000 1.164 89 Y HN 0.458 nan 8.280 nan 0.000 0.458 90 L N 5.422 126.657 121.223 0.019 0.000 2.260 90 L HA 0.654 4.995 4.340 0.002 0.000 0.289 90 L C -1.127 175.686 176.870 -0.094 0.000 1.057 90 L CA -0.470 54.252 54.840 -0.198 0.000 0.811 90 L CB 0.462 42.243 42.059 -0.464 0.000 1.184 90 L HN 0.376 nan 8.230 nan 0.000 0.429 91 V N 5.243 125.095 119.914 -0.104 0.000 2.378 91 V HA 0.692 4.813 4.120 0.002 0.000 0.288 91 V C 0.631 176.642 176.094 -0.137 0.000 1.016 91 V CA -0.398 61.854 62.300 -0.079 0.000 0.840 91 V CB 1.099 32.888 31.823 -0.058 0.000 0.994 91 V HN 0.910 nan 8.190 nan 0.000 0.431 92 G N 3.574 112.289 108.800 -0.141 0.000 2.356 92 G HA2 0.594 4.555 3.960 0.002 0.000 0.322 92 G HA3 0.594 4.555 3.960 0.002 0.000 0.322 92 G C -0.027 174.697 174.900 -0.294 0.000 1.125 92 G CA -0.679 44.307 45.100 -0.190 0.000 0.885 92 G HN 0.661 nan 8.290 nan 0.000 0.467 93 R N 1.705 121.961 120.500 -0.406 0.000 2.903 93 R HA 0.332 4.673 4.340 0.002 0.000 0.363 93 R C 0.940 177.006 176.300 -0.391 0.000 1.161 93 R CA 0.112 55.751 56.100 -0.769 0.000 1.109 93 R CB 0.938 30.495 30.300 -1.239 0.000 1.399 93 R HN 0.995 nan 8.270 nan 0.000 0.587 94 G N 1.241 109.827 108.800 -0.357 0.000 2.132 94 G HA2 -0.251 3.710 3.960 0.002 0.000 0.228 94 G HA3 -0.251 3.710 3.960 0.002 0.000 0.228 94 G C -0.314 174.389 174.900 -0.329 0.000 1.000 94 G CA 0.015 44.938 45.100 -0.295 0.000 0.693 94 G HN 0.460 nan 8.290 nan 0.000 0.515 95 D N 0.823 121.087 120.400 -0.226 0.000 2.346 95 D HA 0.331 4.972 4.640 0.002 0.000 0.260 95 D C -0.421 175.722 176.300 -0.262 0.000 1.252 95 D CA -1.653 52.204 54.000 -0.239 0.000 0.895 95 D CB 1.161 41.938 40.800 -0.039 0.000 1.097 95 D HN 0.211 nan 8.370 nan 0.000 0.489 96 P HA 0.036 nan 4.420 nan 0.000 0.253 96 P C 0.356 177.542 177.300 -0.189 0.000 1.260 96 P CA 0.390 63.312 63.100 -0.297 0.000 0.800 96 P CB 0.036 31.378 31.700 -0.598 0.000 1.162 97 T N -4.125 110.296 114.554 -0.222 0.000 3.275 97 T HA 0.221 4.572 4.350 0.002 0.000 0.298 97 T C 0.144 174.836 174.700 -0.014 0.000 0.988 97 T CA -0.426 61.494 62.100 -0.300 0.000 0.936 97 T CB -0.693 67.635 68.868 -0.901 0.000 1.159 97 T HN -0.105 nan 8.240 nan 0.000 0.519 98 L N 4.286 125.530 121.223 0.036 0.000 2.407 98 L HA 0.500 4.841 4.340 0.002 0.000 0.282 98 L C 0.465 177.384 176.870 0.082 0.000 1.110 98 L CA -0.027 54.842 54.840 0.048 0.000 0.863 98 L CB 0.037 42.106 42.059 0.017 0.000 1.207 98 L HN 0.456 nan 8.230 nan 0.000 0.454 99 S N 3.646 119.393 115.700 0.079 0.000 2.669 99 S HA 0.618 5.089 4.470 0.002 0.000 0.270 99 S C 1.337 175.962 174.600 0.041 0.000 1.225 99 S CA -0.263 57.991 58.200 0.089 0.000 0.991 99 S CB 1.296 64.559 63.200 0.105 0.000 0.987 99 S HN 0.798 nan 8.310 nan 0.000 0.552 100 A N 0.361 123.209 122.820 0.047 0.000 1.902 100 A HA -0.090 4.231 4.320 0.002 0.000 0.217 100 A C 2.098 179.694 177.584 0.020 0.000 1.181 100 A CA 1.782 53.844 52.037 0.041 0.000 0.623 100 A CB -1.383 17.644 19.000 0.045 0.000 0.818 100 A HN 1.016 nan 8.150 nan 0.000 0.443 101 E N -0.164 120.040 120.200 0.006 0.000 2.114 101 E HA -0.269 4.082 4.350 0.002 0.000 0.199 101 E C 1.192 177.771 176.600 -0.034 0.000 1.008 101 E CA 1.688 58.083 56.400 -0.008 0.000 0.810 101 E CB -0.106 29.591 29.700 -0.004 0.000 0.739 101 E HN 0.567 nan 8.360 nan 0.000 0.456 102 D N -0.148 120.205 120.400 -0.079 0.000 2.224 102 D HA -0.097 4.544 4.640 0.002 0.000 0.205 102 D C 1.999 178.255 176.300 -0.074 0.000 0.965 102 D CA 0.583 54.467 54.000 -0.195 0.000 0.852 102 D CB -0.045 40.517 40.800 -0.397 0.000 0.947 102 D HN 0.286 nan 8.370 nan 0.000 0.494 103 L N 0.447 121.682 121.223 0.021 0.000 2.056 103 L HA -0.143 4.198 4.340 0.002 0.000 0.207 103 L C 2.184 179.151 176.870 0.161 0.000 1.078 103 L CA 1.054 55.997 54.840 0.171 0.000 0.749 103 L CB -0.328 41.858 42.059 0.212 0.000 0.901 103 L HN -0.060 nan 8.230 nan 0.000 0.433 104 D N 0.251 120.684 120.400 0.054 0.000 2.092 104 D HA -0.215 4.426 4.640 0.002 0.000 0.193 104 D C 2.171 178.481 176.300 0.016 0.000 0.994 104 D CA 1.571 55.576 54.000 0.007 0.000 0.828 104 D CB 0.110 40.906 40.800 -0.007 0.000 0.963 104 D HN 0.242 nan 8.370 nan 0.000 0.450 105 A N 0.203 123.034 122.820 0.018 0.000 1.873 105 A HA -0.222 4.099 4.320 0.002 0.000 0.218 105 A C 2.412 180.033 177.584 0.062 0.000 1.193 105 A CA 2.038 54.089 52.037 0.024 0.000 0.629 105 A CB -0.801 18.202 19.000 0.005 0.000 0.826 105 A HN 0.366 nan 8.150 nan 0.000 0.447 106 M N -0.701 118.965 119.600 0.110 0.000 2.149 106 M HA -0.201 4.280 4.480 0.002 0.000 0.261 106 M C 2.492 178.932 176.300 0.234 0.000 1.064 106 M CA 1.467 56.883 55.300 0.194 0.000 1.102 106 M CB -0.455 32.290 32.600 0.241 0.000 1.369 106 M HN 0.525 nan 8.290 nan 0.000 0.408 107 A N 0.222 123.138 122.820 0.160 0.000 1.933 107 A HA -0.024 4.297 4.320 0.002 0.000 0.218 107 A C 2.345 179.907 177.584 -0.037 0.000 1.175 107 A CA 1.778 53.769 52.037 -0.077 0.000 0.628 107 A CB -0.777 18.044 19.000 -0.299 0.000 0.814 107 A HN 0.504 nan 8.150 nan 0.000 0.444 108 A N -0.154 122.662 122.820 -0.006 0.000 1.898 108 A HA -0.150 4.171 4.320 0.002 0.000 0.216 108 A C 1.915 179.509 177.584 0.016 0.000 1.181 108 A CA 1.562 53.597 52.037 -0.003 0.000 0.620 108 A CB -0.491 18.510 19.000 0.001 0.000 0.819 108 A HN 0.625 nan 8.150 nan 0.000 0.442 109 E N -0.330 119.895 120.200 0.042 0.000 2.058 109 E HA -0.144 4.207 4.350 0.002 0.000 0.194 109 E C 2.011 178.641 176.600 0.050 0.000 0.997 109 E CA 1.368 57.797 56.400 0.048 0.000 0.801 109 E CB -0.331 29.409 29.700 0.067 0.000 0.746 109 E HN 0.376 nan 8.360 nan 0.000 0.450 110 V N 1.480 121.437 119.914 0.072 0.000 2.282 110 V HA -0.329 3.792 4.120 0.002 0.000 0.249 110 V C 2.345 178.457 176.094 0.030 0.000 1.057 110 V CA 2.023 64.365 62.300 0.071 0.000 1.032 110 V CB -0.772 31.117 31.823 0.111 0.000 0.645 110 V HN 0.346 nan 8.190 nan 0.000 0.447 111 A N -0.178 122.646 122.820 0.006 0.000 1.902 111 A HA -0.085 4.236 4.320 0.002 0.000 0.217 111 A C 2.353 179.937 177.584 0.000 0.000 1.181 111 A CA 1.978 54.011 52.037 -0.007 0.000 0.623 111 A CB -0.758 18.228 19.000 -0.023 0.000 0.818 111 A HN 0.607 nan 8.150 nan 0.000 0.443 112 A N 0.219 123.043 122.820 0.006 0.000 2.121 112 A HA 0.026 4.346 4.320 0.002 0.000 0.218 112 A C 2.261 179.850 177.584 0.008 0.000 1.154 112 A CA 1.758 53.799 52.037 0.006 0.000 0.679 112 A CB -0.768 18.237 19.000 0.009 0.000 0.795 112 A HN 0.975 nan 8.150 nan 0.000 0.458 113 S N -1.883 113.826 115.700 0.014 0.000 2.561 113 S HA 0.343 4.814 4.470 0.002 0.000 0.225 113 S C 1.328 175.932 174.600 0.006 0.000 0.977 113 S CA 1.063 59.271 58.200 0.012 0.000 0.926 113 S CB -0.263 62.950 63.200 0.021 0.000 0.769 113 S HN 1.823 nan 8.310 nan 0.000 0.533 114 G N -0.061 108.741 108.800 0.004 0.000 2.154 114 G HA2 -0.178 3.783 3.960 0.002 0.000 0.186 114 G HA3 -0.178 3.783 3.960 0.002 0.000 0.186 114 G C -0.142 174.757 174.900 -0.001 0.000 1.000 114 G CA -0.237 44.863 45.100 -0.001 0.000 0.664 114 G HN 0.611 nan 8.290 nan 0.000 0.513 115 V N 1.417 121.333 119.914 0.002 0.000 2.427 115 V HA 0.401 4.522 4.120 0.002 0.000 0.268 115 V C 1.560 177.649 176.094 -0.008 0.000 1.046 115 V CA 0.515 62.817 62.300 0.002 0.000 0.970 115 V CB 1.299 33.131 31.823 0.014 0.000 1.001 115 V HN 0.416 nan 8.190 nan 0.000 0.476 116 R N 2.754 123.249 120.500 -0.008 0.000 2.146 116 R HA 0.153 4.494 4.340 0.002 0.000 0.206 116 R C 0.050 176.341 176.300 -0.016 0.000 1.049 116 R CA 0.673 56.764 56.100 -0.014 0.000 1.029 116 R CB 0.631 30.924 30.300 -0.012 0.000 0.949 116 R HN 0.711 nan 8.270 nan 0.000 0.471 117 T N 0.673 115.223 114.554 -0.008 0.000 2.928 117 T HA 0.313 4.664 4.350 0.002 0.000 0.296 117 T C -1.104 173.600 174.700 0.007 0.000 1.000 117 T CA -0.501 61.596 62.100 -0.005 0.000 0.989 117 T CB 2.627 71.493 68.868 -0.003 0.000 1.005 117 T HN -0.206 nan 8.240 nan 0.000 0.442 118 V N 4.295 124.213 119.914 0.008 0.000 2.353 118 V HA 0.264 4.385 4.120 0.002 0.000 0.264 118 V C 1.409 177.517 176.094 0.023 0.000 1.049 118 V CA -0.380 61.937 62.300 0.028 0.000 0.896 118 V CB 0.854 32.698 31.823 0.034 0.000 1.025 118 V HN 0.690 nan 8.190 nan 0.000 0.475 119 R N 3.933 124.453 120.500 0.033 0.000 2.090 119 R HA 0.115 4.456 4.340 0.002 0.000 0.228 119 R C 1.335 177.658 176.300 0.038 0.000 1.110 119 R CA 1.301 57.418 56.100 0.030 0.000 0.973 119 R CB -0.284 30.034 30.300 0.031 0.000 0.869 119 R HN 0.792 nan 8.270 nan 0.000 0.440 120 G N -0.943 107.895 108.800 0.063 0.000 2.695 120 G HA2 0.158 4.119 3.960 0.002 0.000 0.213 120 G HA3 0.158 4.119 3.960 0.002 0.000 0.213 120 G C -0.821 174.100 174.900 0.034 0.000 1.406 120 G CA -0.537 44.608 45.100 0.075 0.000 1.049 120 G HN 0.161 nan 8.290 nan 0.000 0.573 121 D N -0.376 120.035 120.400 0.018 0.000 2.294 121 D HA 0.360 5.001 4.640 0.002 0.000 0.250 121 D C -0.644 175.523 176.300 -0.222 0.000 1.058 121 D CA -0.222 53.671 54.000 -0.178 0.000 0.950 121 D CB 2.436 42.992 40.800 -0.406 0.000 1.158 121 D HN 0.140 nan 8.370 nan 0.000 0.453 122 L N 1.639 122.674 121.223 -0.313 0.000 2.296 122 L HA 0.343 4.684 4.340 0.002 0.000 0.286 122 L C -1.675 174.943 176.870 -0.420 0.000 1.023 122 L CA -0.440 54.268 54.840 -0.221 0.000 0.812 122 L CB 0.604 42.636 42.059 -0.046 0.000 1.223 122 L HN 0.218 nan 8.230 nan 0.000 0.421 123 Y N 3.565 123.659 120.300 -0.344 0.000 2.409 123 Y HA 0.743 5.294 4.550 0.001 0.000 0.339 123 Y C 0.322 176.078 175.900 -0.240 0.000 1.033 123 Y CA -0.682 57.174 58.100 -0.407 0.000 1.094 123 Y CB 2.034 39.939 38.460 -0.925 0.000 1.210 123 Y HN 0.757 nan 8.280 nan 0.000 0.456 124 A N 2.276 125.115 122.820 0.032 0.000 2.260 124 A HA 0.372 4.693 4.320 0.002 0.000 0.308 124 A C -1.018 176.606 177.584 0.066 0.000 1.254 124 A CA -0.502 51.549 52.037 0.024 0.000 0.874 124 A CB 0.172 19.177 19.000 0.008 0.000 1.153 124 A HN 0.653 nan 8.150 nan 0.000 0.527 125 D N 2.600 123.042 120.400 0.069 0.000 2.427 125 D HA 0.289 4.930 4.640 0.002 0.000 0.226 125 D C -0.547 175.766 176.300 0.022 0.000 1.076 125 D CA -0.332 53.716 54.000 0.079 0.000 0.849 125 D CB 1.143 42.019 40.800 0.126 0.000 1.052 125 D HN 0.515 nan 8.370 nan 0.000 0.515 126 D N 1.239 121.655 120.400 0.025 0.000 2.559 126 D HA -0.038 4.603 4.640 0.002 0.000 0.234 126 D C 1.146 177.469 176.300 0.039 0.000 1.226 126 D CA -0.182 53.821 54.000 0.005 0.000 0.830 126 D CB -0.197 40.606 40.800 0.005 0.000 1.028 126 D HN 0.274 nan 8.370 nan 0.000 0.492 127 T N -4.254 110.336 114.554 0.060 0.000 3.113 127 T HA -0.126 4.225 4.350 0.002 0.000 0.263 127 T C 1.433 176.200 174.700 0.113 0.000 1.143 127 T CA -0.132 62.009 62.100 0.067 0.000 1.090 127 T CB -0.799 68.094 68.868 0.041 0.000 0.922 127 T HN 0.426 nan 8.240 nan 0.000 0.521 128 W N 1.179 122.423 121.300 -0.093 0.000 2.363 128 W HA 0.060 4.720 4.660 0.001 0.000 0.296 128 W C -0.633 175.919 176.519 0.056 0.000 1.212 128 W CA 0.270 57.559 57.345 -0.094 0.000 1.260 128 W CB 0.003 29.324 29.460 -0.232 0.000 1.131 128 W HN 0.132 nan 8.180 nan 0.000 0.530 129 F N 1.308 121.236 119.950 -0.037 0.000 2.457 129 F HA 0.253 4.781 4.527 0.001 0.000 0.330 129 F C 0.801 176.513 175.800 -0.148 0.000 1.069 129 F CA -1.851 56.036 58.000 -0.189 0.000 1.009 129 F CB -0.847 38.051 39.000 -0.171 0.000 1.276 129 F HN -0.397 nan 8.300 nan 0.000 0.492 130 D N -0.131 120.277 120.400 0.013 0.000 2.405 130 D HA -0.033 4.608 4.640 0.002 0.000 0.232 130 D C 0.719 177.023 176.300 0.005 0.000 1.240 130 D CA 0.564 54.541 54.000 -0.039 0.000 0.881 130 D CB 0.445 41.162 40.800 -0.139 0.000 1.222 130 D HN 0.474 nan 8.370 nan 0.000 0.482 131 S N -0.319 115.387 115.700 0.011 0.000 2.583 131 S HA 0.076 4.547 4.470 0.002 0.000 0.239 131 S C 0.372 174.997 174.600 0.043 0.000 0.966 131 S CA -0.573 57.647 58.200 0.033 0.000 0.973 131 S CB 0.048 63.272 63.200 0.039 0.000 0.794 131 S HN 0.415 nan 8.310 nan 0.000 0.463 132 E N 1.594 121.813 120.200 0.032 0.000 2.105 132 E HA 0.223 4.574 4.350 0.002 0.000 0.285 132 E C 0.574 177.271 176.600 0.161 0.000 1.055 132 E CA -0.534 55.934 56.400 0.113 0.000 0.843 132 E CB 0.389 30.199 29.700 0.183 0.000 1.067 132 E HN 0.195 nan 8.360 nan 0.000 0.398 133 R N 2.827 123.438 120.500 0.184 0.000 2.140 133 R HA 0.206 4.547 4.340 0.002 0.000 0.213 133 R C 0.334 176.835 176.300 0.335 0.000 1.059 133 R CA 0.572 56.798 56.100 0.210 0.000 1.000 133 R CB -0.077 30.322 30.300 0.165 0.000 0.910 133 R HN 0.442 nan 8.270 nan 0.000 0.455 134 L N -0.068 121.282 121.223 0.211 0.000 2.388 134 L HA 0.405 4.746 4.340 0.002 0.000 0.264 134 L C -0.339 176.103 176.870 -0.713 0.000 0.998 134 L CA -1.081 53.694 54.840 -0.109 0.000 0.817 134 L CB 2.629 44.782 42.059 0.157 0.000 1.338 134 L HN -0.354 nan 8.230 nan 0.000 0.414 135 V N 1.442 120.249 119.914 -1.845 0.000 2.740 135 V HA -0.074 4.047 4.120 0.002 0.000 0.303 135 V C 0.692 176.311 176.094 -0.791 0.000 1.054 135 V CA 0.322 61.599 62.300 -1.706 0.000 1.106 135 V CB 0.900 31.423 31.823 -2.166 0.000 0.957 135 V HN 1.022 nan 8.190 nan 0.000 0.486 136 D N 3.794 123.892 120.400 -0.504 0.000 2.412 136 D HA -0.338 4.303 4.640 0.002 0.000 0.191 136 D C 1.154 177.390 176.300 -0.107 0.000 1.019 136 D CA 2.031 55.895 54.000 -0.226 0.000 0.866 136 D CB -0.318 40.372 40.800 -0.182 0.000 0.966 136 D HN 0.818 nan 8.370 nan 0.000 0.459 137 D N -1.638 118.698 120.400 -0.107 0.000 2.328 137 D HA -0.047 4.594 4.640 0.002 0.000 0.221 137 D C -0.216 176.180 176.300 0.161 0.000 1.072 137 D CA -0.551 53.474 54.000 0.041 0.000 0.850 137 D CB -0.591 40.218 40.800 0.014 0.000 0.922 137 D HN 0.287 nan 8.370 nan 0.000 0.516 138 W N 1.035 122.273 121.300 -0.103 0.000 2.170 138 W HA 0.163 4.824 4.660 0.002 0.000 0.342 138 W C 0.564 177.150 176.519 0.112 0.000 1.294 138 W CA -1.020 56.272 57.345 -0.088 0.000 1.246 138 W CB -0.003 29.422 29.460 -0.059 0.000 1.156 138 W HN -0.028 nan 8.180 nan 0.000 0.572 139 W N 4.302 125.733 121.300 0.218 0.000 2.322 139 W HA 0.185 4.846 4.660 0.001 0.000 0.307 139 W C -1.167 175.426 176.519 0.123 0.000 1.220 139 W CA -2.647 54.779 57.345 0.135 0.000 1.210 139 W CB -0.107 29.413 29.460 0.100 0.000 1.223 139 W HN 0.230 nan 8.180 nan 0.000 0.511 140 P HA -0.200 nan 4.420 nan 0.000 0.218 140 P C 1.084 178.474 177.300 0.149 0.000 1.148 140 P CA 1.757 64.966 63.100 0.181 0.000 0.822 140 P CB 0.487 32.255 31.700 0.113 0.000 0.784 141 E N -0.664 119.641 120.200 0.174 0.000 2.204 141 E HA -0.144 4.207 4.350 0.002 0.000 0.195 141 E C 1.389 178.131 176.600 0.237 0.000 0.990 141 E CA 0.962 57.456 56.400 0.156 0.000 0.821 141 E CB -0.656 29.111 29.700 0.112 0.000 0.750 141 E HN 0.280 nan 8.360 nan 0.000 0.477 142 D N 0.079 120.656 120.400 0.296 0.000 2.347 142 D HA -0.054 4.587 4.640 0.002 0.000 0.213 142 D C 1.134 177.436 176.300 0.003 0.000 0.985 142 D CA 0.348 54.529 54.000 0.300 0.000 0.879 142 D CB 0.046 41.039 40.800 0.323 0.000 0.919 142 D HN 0.297 nan 8.370 nan 0.000 0.526 143 E N 0.455 120.639 120.200 -0.027 0.000 2.204 143 E HA -0.131 4.220 4.350 0.002 0.000 0.195 143 E C -0.828 175.617 176.600 -0.259 0.000 0.990 143 E CA 0.660 57.006 56.400 -0.090 0.000 0.821 143 E CB -0.535 29.168 29.700 0.005 0.000 0.750 143 E HN 0.305 nan 8.360 nan 0.000 0.477 144 P HA -0.129 nan 4.420 nan 0.000 0.222 144 P C -0.446 176.409 177.300 -0.742 0.000 1.147 144 P CA 1.161 63.848 63.100 -0.689 0.000 0.790 144 P CB 0.015 31.127 31.700 -0.980 0.000 0.780 145 Y N -2.052 118.088 120.300 -0.266 0.000 2.376 145 Y HA 0.511 5.062 4.550 0.002 0.000 0.325 145 Y C 1.931 177.582 175.900 -0.414 0.000 1.199 145 Y CA -1.088 56.791 58.100 -0.368 0.000 1.206 145 Y CB 0.371 38.516 38.460 -0.525 0.000 1.229 145 Y HN -0.258 nan 8.280 nan 0.000 0.480 146 A N 1.628 124.404 122.820 -0.074 0.000 1.948 146 A HA -0.280 4.041 4.320 0.002 0.000 0.220 146 A C 1.688 179.242 177.584 -0.050 0.000 1.177 146 A CA 2.197 54.213 52.037 -0.036 0.000 0.636 146 A CB -1.391 17.633 19.000 0.040 0.000 0.815 146 A HN 0.937 nan 8.150 nan 0.000 0.449 147 Y N -1.893 118.426 120.300 0.031 0.000 2.632 147 Y HA 0.305 4.856 4.550 0.002 0.000 0.301 147 Y C 1.539 177.361 175.900 -0.131 0.000 1.172 147 Y CA 0.745 58.820 58.100 -0.040 0.000 1.328 147 Y CB -0.506 37.917 38.460 -0.062 0.000 1.016 147 Y HN 0.181 nan 8.280 nan 0.000 0.529 148 S N 0.342 115.827 115.700 -0.359 0.000 2.809 148 S HA 0.647 5.118 4.470 0.002 0.000 0.248 148 S C 0.402 174.964 174.600 -0.062 0.000 1.071 148 S CA -0.290 57.728 58.200 -0.302 0.000 1.059 148 S CB -1.023 61.966 63.200 -0.351 0.000 0.923 148 S HN 0.603 nan 8.310 nan 0.000 0.516 149 A N 1.415 124.238 122.820 0.005 0.000 2.520 149 A HA 0.353 4.674 4.320 0.002 0.000 0.235 149 A C 0.412 178.129 177.584 0.221 0.000 1.065 149 A CA 0.132 52.224 52.037 0.091 0.000 0.764 149 A CB 0.133 19.190 19.000 0.096 0.000 1.002 149 A HN 0.728 nan 8.150 nan 0.000 0.502 150 Q N 0.169 120.090 119.800 0.202 0.000 2.394 150 Q HA 0.299 4.640 4.340 0.002 0.000 0.248 150 Q C -0.521 175.618 176.000 0.233 0.000 0.992 150 Q CA -0.235 55.716 55.803 0.247 0.000 0.888 150 Q CB 0.757 29.602 28.738 0.179 0.000 1.257 150 Q HN 0.563 nan 8.270 nan 0.000 0.462 151 I N 1.494 122.208 120.570 0.240 0.000 2.315 151 I HA 0.266 4.437 4.170 0.002 0.000 0.291 151 I C -0.015 176.179 176.117 0.128 0.000 1.006 151 I CA 0.196 61.599 61.300 0.171 0.000 1.265 151 I CB 0.836 38.883 38.000 0.079 0.000 1.387 151 I HN 0.441 nan 8.210 nan 0.000 0.475 152 S N 3.649 119.451 115.700 0.169 0.000 2.546 152 S HA 0.678 5.149 4.470 0.002 0.000 0.274 152 S C 0.641 175.323 174.600 0.136 0.000 1.121 152 S CA -0.093 58.197 58.200 0.152 0.000 0.887 152 S CB 1.892 65.144 63.200 0.087 0.000 1.094 152 S HN 0.680 nan 8.310 nan 0.000 0.474 153 A N 3.227 126.020 122.820 -0.046 0.000 2.066 153 A HA 0.300 4.621 4.320 0.002 0.000 0.218 153 A C 0.671 178.113 177.584 -0.236 0.000 1.157 153 A CA 0.636 52.372 52.037 -0.501 0.000 0.670 153 A CB -0.201 18.366 19.000 -0.721 0.000 0.804 153 A HN 0.681 nan 8.150 nan 0.000 0.453 154 L N 0.789 121.950 121.223 -0.105 0.000 2.301 154 L HA 0.441 4.782 4.340 0.002 0.000 0.278 154 L C -0.833 176.022 176.870 -0.024 0.000 1.022 154 L CA -0.046 54.750 54.840 -0.073 0.000 0.854 154 L CB 1.385 43.405 42.059 -0.065 0.000 1.226 154 L HN 0.163 nan 8.230 nan 0.000 0.429 155 T N 2.978 117.525 114.554 -0.013 0.000 2.933 155 T HA 0.438 4.789 4.350 0.002 0.000 0.305 155 T C -0.891 173.832 174.700 0.037 0.000 1.092 155 T CA -0.292 61.824 62.100 0.026 0.000 1.008 155 T CB 1.791 70.697 68.868 0.064 0.000 1.102 155 T HN 0.125 nan 8.240 nan 0.000 0.469 156 V N 4.070 124.014 119.914 0.051 0.000 2.461 156 V HA 0.650 4.771 4.120 0.002 0.000 0.275 156 V C 0.769 176.943 176.094 0.133 0.000 1.047 156 V CA -0.598 61.748 62.300 0.078 0.000 0.955 156 V CB 0.924 32.787 31.823 0.066 0.000 0.988 156 V HN 1.061 nan 8.190 nan 0.000 0.471 157 A N 3.899 126.825 122.820 0.177 0.000 2.289 157 A HA 0.520 4.841 4.320 0.002 0.000 0.298 157 A C -0.372 177.360 177.584 0.245 0.000 1.208 157 A CA -0.343 51.855 52.037 0.268 0.000 0.845 157 A CB -0.098 19.143 19.000 0.402 0.000 1.125 157 A HN 0.995 nan 8.150 nan 0.000 0.517 158 H N 1.810 120.954 119.070 0.123 0.000 2.562 158 H HA 0.519 5.076 4.556 0.002 0.000 0.314 158 H C 0.769 176.090 175.328 -0.011 0.000 1.079 158 H CA 1.230 57.310 56.048 0.053 0.000 1.349 158 H CB 0.738 30.521 29.762 0.034 0.000 1.432 158 H HN 1.523 nan 8.280 nan 0.000 0.479 159 G N 3.600 112.047 108.800 -0.588 0.000 2.829 159 G HA2 -0.276 3.685 3.960 0.002 0.000 0.628 159 G HA3 -0.276 3.685 3.960 0.002 0.000 0.628 159 G C 0.843 175.438 174.900 -0.508 0.000 1.412 159 G CA 0.062 44.867 45.100 -0.491 0.000 0.864 159 G HN 0.867 nan 8.290 nan 0.000 0.544 160 E N -0.368 119.572 120.200 -0.434 0.000 2.338 160 E HA -0.066 4.285 4.350 0.002 0.000 0.197 160 E C 2.028 178.342 176.600 -0.477 0.000 1.007 160 E CA 1.140 57.218 56.400 -0.536 0.000 0.849 160 E CB -0.027 29.560 29.700 -0.188 0.000 0.774 160 E HN 0.588 nan 8.360 nan 0.000 0.506 161 R N -0.358 119.969 120.500 -0.288 0.000 2.297 161 R HA 0.125 4.466 4.340 0.002 0.000 0.197 161 R C -0.249 176.111 176.300 0.100 0.000 0.943 161 R CA 0.266 56.291 56.100 -0.124 0.000 1.038 161 R CB -0.222 29.838 30.300 -0.399 0.000 0.957 161 R HN 0.135 nan 8.270 nan 0.000 0.484 162 F N 1.416 121.461 119.950 0.157 0.000 3.040 162 F HA -0.223 4.305 4.527 0.002 0.000 0.298 162 F C -0.674 175.237 175.800 0.184 0.000 0.948 162 F CA 0.129 58.258 58.000 0.216 0.000 1.022 162 F CB -1.560 37.648 39.000 0.347 0.000 1.023 162 F HN 0.084 nan 8.300 nan 0.000 0.742 163 D N 1.557 122.085 120.400 0.213 0.000 2.358 163 D HA 0.168 4.809 4.640 0.002 0.000 0.258 163 D C 0.861 177.276 176.300 0.192 0.000 1.223 163 D CA 0.499 54.590 54.000 0.151 0.000 0.886 163 D CB 1.065 41.928 40.800 0.105 0.000 1.120 163 D HN 0.320 nan 8.370 nan 0.000 0.482 164 T N -1.633 113.028 114.554 0.178 0.000 2.913 164 T HA 0.476 4.827 4.350 0.002 0.000 0.287 164 T C 1.240 176.015 174.700 0.125 0.000 1.008 164 T CA -0.251 61.953 62.100 0.174 0.000 1.067 164 T CB 1.686 70.669 68.868 0.192 0.000 0.996 164 T HN 0.532 nan 8.240 nan 0.000 0.513 165 G N 0.486 109.352 108.800 0.110 0.000 2.203 165 G HA2 -0.136 3.825 3.960 0.002 0.000 0.263 165 G HA3 -0.136 3.825 3.960 0.002 0.000 0.263 165 G C 0.107 175.045 174.900 0.063 0.000 1.012 165 G CA 0.349 45.501 45.100 0.087 0.000 0.749 165 G HN 1.813 nan 8.290 nan 0.000 0.512 166 V N -4.009 115.937 119.914 0.053 0.000 3.158 166 V HA 1.006 5.127 4.120 0.002 0.000 0.315 166 V C 0.044 176.131 176.094 -0.011 0.000 1.148 166 V CA -0.105 62.200 62.300 0.009 0.000 1.042 166 V CB 2.095 33.906 31.823 -0.019 0.000 1.101 166 V HN 0.852 nan 8.190 nan 0.000 0.448 167 T N 0.268 114.788 114.554 -0.055 0.000 2.909 167 T HA 0.421 4.772 4.350 0.002 0.000 0.299 167 T C -1.117 173.491 174.700 -0.153 0.000 1.073 167 T CA -0.390 61.667 62.100 -0.071 0.000 0.999 167 T CB 1.794 70.661 68.868 -0.002 0.000 1.098 167 T HN 1.078 nan 8.240 nan 0.000 0.477 168 E N 2.860 122.938 120.200 -0.203 0.000 2.130 168 E HA 0.519 4.870 4.350 0.002 0.000 0.284 168 E C -0.975 175.581 176.600 -0.073 0.000 1.018 168 E CA -0.584 55.699 56.400 -0.196 0.000 0.817 168 E CB 0.837 30.386 29.700 -0.252 0.000 1.078 168 E HN 0.393 nan 8.360 nan 0.000 0.396 169 V N 4.193 124.075 119.914 -0.053 0.000 2.394 169 V HA 0.285 4.406 4.120 0.002 0.000 0.282 169 V C -0.192 175.894 176.094 -0.013 0.000 1.031 169 V CA -0.528 61.758 62.300 -0.023 0.000 0.881 169 V CB 1.373 33.184 31.823 -0.019 0.000 0.982 169 V HN 0.731 nan 8.190 nan 0.000 0.451 170 S N 4.052 119.750 115.700 -0.003 0.000 2.502 170 S HA 0.822 5.293 4.470 0.002 0.000 0.304 170 S C -0.952 173.651 174.600 0.005 0.000 1.097 170 S CA -0.765 57.437 58.200 0.003 0.000 1.045 170 S CB 1.811 65.016 63.200 0.008 0.000 1.019 170 S HN 0.380 nan 8.310 nan 0.000 0.481 171 V N 2.662 122.580 119.914 0.006 0.000 2.448 171 V HA 0.755 4.876 4.120 0.002 0.000 0.295 171 V C 0.106 176.204 176.094 0.006 0.000 1.025 171 V CA -0.534 61.769 62.300 0.006 0.000 0.859 171 V CB 1.411 33.237 31.823 0.006 0.000 0.988 171 V HN 1.113 nan 8.190 nan 0.000 0.431 172 T N 3.121 117.679 114.554 0.006 0.000 2.861 172 T HA 0.642 4.993 4.350 0.002 0.000 0.287 172 T C -2.880 171.823 174.700 0.005 0.000 1.003 172 T CA -2.301 59.802 62.100 0.006 0.000 0.977 172 T CB 2.397 71.269 68.868 0.007 0.000 0.996 172 T HN 0.475 nan 8.240 nan 0.000 0.448 173 P HA 0.418 nan 4.420 nan 0.000 0.275 173 P C -0.163 177.140 177.300 0.004 0.000 1.228 173 P CA -0.299 62.803 63.100 0.004 0.000 0.786 173 P CB 1.080 32.782 31.700 0.004 0.000 0.927 174 A N 3.124 125.945 122.820 0.003 0.000 3.778 174 A HA 0.730 5.051 4.320 0.002 0.000 0.156 174 A C 0.317 177.902 177.584 0.002 0.000 1.681 174 A CA -0.083 51.956 52.037 0.003 0.000 1.240 174 A CB -0.540 18.461 19.000 0.002 0.000 1.750 174 A HN 0.589 nan 8.150 nan 0.000 0.675 175 A N -0.303 122.518 122.820 0.002 0.000 2.322 175 A HA 0.490 4.811 4.320 0.002 0.000 0.269 175 A C 0.262 177.847 177.584 0.002 0.000 1.094 175 A CA -0.208 51.830 52.037 0.002 0.000 0.807 175 A CB -0.099 18.902 19.000 0.002 0.000 1.047 175 A HN 0.691 nan 8.150 nan 0.000 0.487 176 E N 0.448 120.649 120.200 0.002 0.000 2.558 176 E HA 0.260 4.611 4.350 0.002 0.000 0.255 176 E C 1.215 177.815 176.600 0.001 0.000 0.968 176 E CA 1.101 57.502 56.400 0.001 0.000 0.939 176 E CB -0.048 29.652 29.700 0.001 0.000 0.921 176 E HN 1.472 nan 8.360 nan 0.000 0.477 177 G N 3.819 112.620 108.800 0.001 0.000 2.268 177 G HA2 -0.289 3.672 3.960 0.002 0.000 0.240 177 G HA3 -0.289 3.672 3.960 0.002 0.000 0.240 177 G C 0.046 174.947 174.900 0.001 0.000 1.010 177 G CA 0.341 45.441 45.100 0.001 0.000 0.618 177 G HN 0.623 nan 8.290 nan 0.000 0.516 178 E N 1.736 121.937 120.200 0.001 0.000 2.374 178 E HA 0.410 4.761 4.350 0.002 0.000 0.260 178 E C -2.321 174.280 176.600 0.001 0.000 1.101 178 E CA -1.811 54.589 56.400 0.001 0.000 0.907 178 E CB 0.689 30.389 29.700 0.001 0.000 1.014 178 E HN 0.181 nan 8.360 nan 0.000 0.427 179 P HA -0.032 nan 4.420 nan 0.000 0.270 179 P C -1.002 176.298 177.300 0.001 0.000 1.223 179 P CA 0.107 63.207 63.100 0.000 0.000 0.785 179 P CB 0.472 32.171 31.700 -0.000 0.000 0.923 180 A N 1.794 124.615 122.820 0.001 0.000 2.386 180 A HA 0.217 4.538 4.320 0.002 0.000 0.248 180 A C -0.039 177.546 177.584 0.002 0.000 1.082 180 A CA -0.160 51.878 52.037 0.002 0.000 0.789 180 A CB -0.197 18.804 19.000 0.003 0.000 1.025 180 A HN 0.441 nan 8.150 nan 0.000 0.490 181 D N 0.653 121.055 120.400 0.003 0.000 2.225 181 D HA 0.464 5.105 4.640 0.002 0.000 0.248 181 D C -0.718 175.585 176.300 0.004 0.000 1.096 181 D CA 0.200 54.202 54.000 0.003 0.000 0.863 181 D CB 1.582 42.385 40.800 0.004 0.000 1.156 181 D HN 0.127 nan 8.370 nan 0.000 0.450 182 V N 2.737 122.653 119.914 0.003 0.000 2.540 182 V HA 0.292 4.413 4.120 0.002 0.000 0.302 182 V C -0.234 175.863 176.094 0.005 0.000 1.035 182 V CA -0.761 61.541 62.300 0.003 0.000 0.873 182 V CB 2.347 34.170 31.823 -0.001 0.000 0.992 182 V HN 0.478 nan 8.190 nan 0.000 0.428 183 D N 3.848 124.252 120.400 0.007 0.000 2.629 183 D HA 0.375 5.016 4.640 0.002 0.000 0.250 183 D C 0.169 176.475 176.300 0.009 0.000 1.126 183 D CA -0.455 53.551 54.000 0.011 0.000 0.852 183 D CB 2.397 43.206 40.800 0.015 0.000 1.335 183 D HN 0.433 nan 8.370 nan 0.000 0.518 184 L N 3.274 124.504 121.223 0.012 0.000 2.592 184 L HA 0.230 4.570 4.340 0.002 0.000 0.227 184 L C 1.724 178.604 176.870 0.017 0.000 1.127 184 L CA 0.325 55.170 54.840 0.009 0.000 0.884 184 L CB -0.510 41.555 42.059 0.010 0.000 1.065 184 L HN 0.752 nan 8.230 nan 0.000 0.457 185 G N 1.049 109.865 108.800 0.025 0.000 2.591 185 G HA2 -0.455 3.506 3.960 0.002 0.000 0.298 185 G HA3 -0.455 3.506 3.960 0.002 0.000 0.298 185 G C 1.002 175.938 174.900 0.060 0.000 1.195 185 G CA 0.518 45.640 45.100 0.037 0.000 0.989 185 G HN 0.306 nan 8.290 nan 0.000 0.551 186 A N -0.323 122.537 122.820 0.067 0.000 1.978 186 A HA 0.320 4.641 4.320 0.002 0.000 0.220 186 A C 2.742 180.389 177.584 0.105 0.000 1.170 186 A CA 3.167 55.259 52.037 0.091 0.000 0.636 186 A CB -0.752 18.300 19.000 0.088 0.000 0.810 186 A HN 2.276 nan 8.150 nan 0.000 0.448 187 A N -0.475 122.394 122.820 0.082 0.000 2.278 187 A HA 0.199 4.520 4.320 0.002 0.000 0.212 187 A C 0.453 178.074 177.584 0.062 0.000 1.213 187 A CA -0.219 51.879 52.037 0.102 0.000 0.840 187 A CB -0.163 18.924 19.000 0.146 0.000 0.866 187 A HN 0.380 nan 8.150 nan 0.000 0.489 188 E N -0.134 120.111 120.200 0.075 0.000 2.480 188 E HA 0.238 4.589 4.350 0.002 0.000 0.258 188 E C 1.255 177.916 176.600 0.100 0.000 0.984 188 E CA 1.194 57.638 56.400 0.072 0.000 0.930 188 E CB 0.356 30.105 29.700 0.082 0.000 0.936 188 E HN 0.675 nan 8.360 nan 0.000 0.466 189 G N 3.206 112.034 108.800 0.046 0.000 2.199 189 G HA2 -0.377 3.584 3.960 0.002 0.000 0.254 189 G HA3 -0.377 3.584 3.960 0.002 0.000 0.254 189 G C 0.566 175.409 174.900 -0.095 0.000 0.982 189 G CA 0.654 45.791 45.100 0.061 0.000 0.632 189 G HN 0.600 nan 8.290 nan 0.000 0.529 190 Y N 0.809 120.871 120.300 -0.398 0.000 2.583 190 Y HA 0.717 5.268 4.550 0.002 0.000 0.270 190 Y C 1.777 177.558 175.900 -0.199 0.000 1.113 190 Y CA 1.406 59.237 58.100 -0.447 0.000 1.307 190 Y CB -0.228 37.834 38.460 -0.663 0.000 1.369 190 Y HN 0.652 nan 8.280 nan 0.000 0.506 191 A N 1.866 124.516 122.820 -0.283 0.000 2.351 191 A HA 0.327 4.647 4.320 0.002 0.000 0.257 191 A C -0.295 177.188 177.584 -0.169 0.000 1.087 191 A CA -0.511 51.362 52.037 -0.274 0.000 0.798 191 A CB 0.005 18.938 19.000 -0.111 0.000 1.033 191 A HN 0.438 nan 8.150 nan 0.000 0.488 192 E N 0.165 120.273 120.200 -0.152 0.000 2.343 192 E HA 0.320 4.671 4.350 0.002 0.000 0.269 192 E C -1.026 175.534 176.600 -0.067 0.000 1.047 192 E CA -0.556 55.786 56.400 -0.097 0.000 0.874 192 E CB 1.523 31.169 29.700 -0.089 0.000 1.033 192 E HN 0.433 nan 8.360 nan 0.000 0.409 193 L N 2.604 123.798 121.223 -0.047 0.000 2.282 193 L HA 0.267 4.608 4.340 0.002 0.000 0.288 193 L C -0.504 176.348 176.870 -0.030 0.000 1.033 193 L CA -0.175 54.644 54.840 -0.034 0.000 0.807 193 L CB 1.083 43.128 42.059 -0.022 0.000 1.209 193 L HN 0.263 nan 8.230 nan 0.000 0.423 194 D N 3.509 123.892 120.400 -0.028 0.000 2.460 194 D HA 0.152 4.793 4.640 0.002 0.000 0.268 194 D C -0.905 175.384 176.300 -0.017 0.000 1.153 194 D CA -0.291 53.695 54.000 -0.023 0.000 0.929 194 D CB 0.198 40.983 40.800 -0.025 0.000 1.015 194 D HN 0.500 nan 8.370 nan 0.000 0.502 195 N N 2.312 121.004 118.700 -0.013 0.000 2.462 195 N HA 0.196 4.937 4.740 0.002 0.000 0.242 195 N C 0.128 175.634 175.510 -0.007 0.000 1.010 195 N CA -0.154 52.891 53.050 -0.009 0.000 0.939 195 N CB 0.463 38.946 38.487 -0.007 0.000 1.127 195 N HN 0.216 nan 8.380 nan 0.000 0.509 196 R N 1.764 122.260 120.500 -0.006 0.000 2.509 196 R HA 0.364 4.705 4.340 0.002 0.000 0.300 196 R C -0.017 176.282 176.300 -0.002 0.000 0.985 196 R CA -0.394 55.703 56.100 -0.005 0.000 1.092 196 R CB 0.656 30.953 30.300 -0.005 0.000 1.237 196 R HN 0.482 nan 8.270 nan 0.000 0.546 197 A N 0.972 123.792 122.820 -0.001 0.000 2.371 197 A HA 0.364 4.685 4.320 0.002 0.000 0.257 197 A C -0.160 177.424 177.584 0.001 0.000 1.089 197 A CA -0.187 51.850 52.037 0.001 0.000 0.794 197 A CB 0.925 19.926 19.000 0.002 0.000 1.029 197 A HN 0.075 nan 8.150 nan 0.000 0.488 198 V N 1.646 121.561 119.914 0.001 0.000 2.919 198 V HA 0.616 4.737 4.120 0.002 0.000 0.316 198 V C 0.190 176.285 176.094 0.002 0.000 1.077 198 V CA -0.393 61.908 62.300 0.001 0.000 0.977 198 V CB 2.297 34.121 31.823 0.001 0.000 1.039 198 V HN 0.957 nan 8.190 nan 0.000 0.441 199 T N 4.820 119.375 114.554 0.002 0.000 2.749 199 T HA 0.541 4.892 4.350 0.002 0.000 0.295 199 T C 0.314 175.016 174.700 0.002 0.000 0.936 199 T CA 0.329 62.431 62.100 0.002 0.000 1.060 199 T CB 0.884 69.753 68.868 0.002 0.000 0.904 199 T HN 1.061 nan 8.240 nan 0.000 0.500 200 G N 1.558 110.359 108.800 0.002 0.000 2.547 200 G HA2 0.585 4.546 3.960 0.002 0.000 0.291 200 G HA3 0.585 4.546 3.960 0.002 0.000 0.291 200 G C 0.112 175.013 174.900 0.002 0.000 1.211 200 G CA -0.879 44.222 45.100 0.002 0.000 0.950 200 G HN 0.994 nan 8.290 nan 0.000 0.504 201 A N -0.418 122.403 122.820 0.002 0.000 2.507 201 A HA 0.521 4.842 4.320 0.002 0.000 0.235 201 A C 1.115 178.700 177.584 0.002 0.000 1.070 201 A CA 0.476 52.514 52.037 0.002 0.000 0.768 201 A CB -0.247 18.754 19.000 0.001 0.000 1.011 201 A HN 1.948 nan 8.150 nan 0.000 0.502 202 A N 0.775 123.596 122.820 0.002 0.000 2.520 202 A HA 0.490 4.811 4.320 0.002 0.000 0.245 202 A C 1.620 179.205 177.584 0.002 0.000 1.072 202 A CA 0.809 52.847 52.037 0.002 0.000 0.761 202 A CB -0.762 18.239 19.000 0.002 0.000 1.004 202 A HN 2.773 nan 8.150 nan 0.000 0.499 203 G N 1.434 110.235 108.800 0.002 0.000 2.195 203 G HA2 -0.189 3.772 3.960 0.002 0.000 0.246 203 G HA3 -0.189 3.772 3.960 0.002 0.000 0.246 203 G C 0.662 175.563 174.900 0.002 0.000 0.984 203 G CA 0.895 45.996 45.100 0.002 0.000 0.633 203 G HN 2.064 nan 8.290 nan 0.000 0.525 204 S N 0.165 115.866 115.700 0.002 0.000 2.661 204 S HA 0.795 5.266 4.470 0.002 0.000 0.265 204 S C 0.791 175.392 174.600 0.002 0.000 1.225 204 S CA 0.435 58.636 58.200 0.002 0.000 0.986 204 S CB 1.587 64.788 63.200 0.002 0.000 1.008 204 S HN 1.912 nan 8.310 nan 0.000 0.565 205 A N 1.276 124.097 122.820 0.002 0.000 2.425 205 A HA 0.315 4.636 4.320 0.002 0.000 0.249 205 A C 0.420 178.006 177.584 0.003 0.000 1.084 205 A CA -0.470 51.569 52.037 0.003 0.000 0.781 205 A CB -0.493 18.508 19.000 0.002 0.000 1.019 205 A HN 0.776 nan 8.150 nan 0.000 0.490 206 N N 1.651 120.354 118.700 0.004 0.000 2.402 206 N HA 0.124 4.865 4.740 0.002 0.000 0.252 206 N C 0.697 176.211 175.510 0.006 0.000 1.118 206 N CA 0.636 53.690 53.050 0.005 0.000 0.945 206 N CB 0.648 39.138 38.487 0.006 0.000 1.147 206 N HN 0.653 nan 8.380 nan 0.000 0.495 207 T N 0.964 115.522 114.554 0.007 0.000 3.129 207 T HA 0.170 4.521 4.350 0.002 0.000 0.267 207 T C 0.713 175.419 174.700 0.011 0.000 1.018 207 T CA -0.500 61.605 62.100 0.008 0.000 0.903 207 T CB -0.209 68.663 68.868 0.007 0.000 1.067 207 T HN 0.237 nan 8.240 nan 0.000 0.549 208 L N 2.730 123.960 121.223 0.011 0.000 2.540 208 L HA 0.390 4.731 4.340 0.002 0.000 0.276 208 L C -0.571 176.311 176.870 0.020 0.000 1.212 208 L CA 0.397 55.246 54.840 0.014 0.000 0.893 208 L CB 0.566 42.633 42.059 0.012 0.000 1.138 208 L HN 0.146 nan 8.230 nan 0.000 0.491 209 V N 6.571 126.498 119.914 0.023 0.000 2.656 209 V HA 0.489 4.610 4.120 0.002 0.000 0.307 209 V C -0.163 175.949 176.094 0.030 0.000 1.051 209 V CA -0.579 61.742 62.300 0.035 0.000 0.893 209 V CB 1.919 33.764 31.823 0.036 0.000 0.999 209 V HN 0.551 nan 8.190 nan 0.000 0.426 210 I N 3.634 124.230 120.570 0.043 0.000 2.406 210 I HA 0.604 4.775 4.170 0.002 0.000 0.290 210 I C -0.886 175.243 176.117 0.019 0.000 0.999 210 I CA -0.193 61.122 61.300 0.025 0.000 1.124 210 I CB 1.902 39.917 38.000 0.024 0.000 1.289 210 I HN 0.603 nan 8.210 nan 0.000 0.441 211 D N 4.695 125.083 120.400 -0.020 0.000 2.559 211 D HA 0.461 5.102 4.640 0.002 0.000 0.250 211 D C -1.095 175.150 176.300 -0.091 0.000 1.135 211 D CA -0.760 53.204 54.000 -0.061 0.000 0.955 211 D CB 2.396 43.180 40.800 -0.027 0.000 1.442 211 D HN 0.451 nan 8.370 nan 0.000 0.471 212 R N 1.924 122.344 120.500 -0.133 0.000 2.467 212 R HA 0.480 4.821 4.340 0.002 0.000 0.299 212 R C -2.593 173.652 176.300 -0.091 0.000 1.120 212 R CA -1.666 54.371 56.100 -0.106 0.000 0.940 212 R CB 1.373 31.602 30.300 -0.119 0.000 1.161 212 R HN 0.218 nan 8.270 nan 0.000 0.506 213 P HA -0.139 nan 4.420 nan 0.000 0.265 213 P C -0.321 176.956 177.300 -0.039 0.000 1.187 213 P CA -0.152 62.922 63.100 -0.044 0.000 0.766 213 P CB 0.675 32.354 31.700 -0.034 0.000 0.820 214 V N 3.832 123.730 119.914 -0.026 0.000 2.599 214 V HA 0.251 4.372 4.120 0.002 0.000 0.300 214 V C 1.395 177.484 176.094 -0.008 0.000 1.034 214 V CA 1.781 64.074 62.300 -0.012 0.000 1.115 214 V CB -0.509 31.316 31.823 0.004 0.000 0.934 214 V HN 0.985 nan 8.190 nan 0.000 0.485 215 G N 3.718 112.516 108.800 -0.003 0.000 2.143 215 G HA2 -0.221 3.740 3.960 0.002 0.000 0.248 215 G HA3 -0.221 3.740 3.960 0.002 0.000 0.248 215 G C 0.259 175.149 174.900 -0.016 0.000 0.991 215 G CA 0.793 45.892 45.100 -0.001 0.000 0.689 215 G HN 1.686 nan 8.290 nan 0.000 0.522 216 T N -3.205 111.332 114.554 -0.028 0.000 2.926 216 T HA 0.653 5.004 4.350 0.002 0.000 0.289 216 T C 0.004 174.668 174.700 -0.061 0.000 1.054 216 T CA -0.276 61.797 62.100 -0.046 0.000 1.015 216 T CB 2.106 70.944 68.868 -0.049 0.000 1.167 216 T HN 0.116 nan 8.240 nan 0.000 0.526 217 N N 0.405 119.049 118.700 -0.093 0.000 2.538 217 N HA 0.313 5.054 4.740 0.002 0.000 0.291 217 N C -1.072 174.356 175.510 -0.138 0.000 1.323 217 N CA -0.296 52.673 53.050 -0.136 0.000 0.934 217 N CB 0.175 38.522 38.487 -0.233 0.000 1.255 217 N HN 0.685 nan 8.380 nan 0.000 0.509 218 T N 0.885 115.382 114.554 -0.095 0.000 2.807 218 T HA 0.430 4.781 4.350 0.002 0.000 0.279 218 T C -0.069 174.591 174.700 -0.067 0.000 0.993 218 T CA -0.499 61.553 62.100 -0.080 0.000 0.970 218 T CB 1.327 70.156 68.868 -0.065 0.000 0.950 218 T HN -0.022 nan 8.240 nan 0.000 0.441 219 I N 3.093 123.627 120.570 -0.059 0.000 2.312 219 I HA 0.479 4.650 4.170 0.002 0.000 0.290 219 I C 0.392 176.486 176.117 -0.037 0.000 1.008 219 I CA -0.787 60.484 61.300 -0.048 0.000 1.226 219 I CB 0.605 38.581 38.000 -0.040 0.000 1.371 219 I HN 0.675 nan 8.210 nan 0.000 0.468 220 A N 7.433 130.233 122.820 -0.035 0.000 2.271 220 A HA 0.700 5.021 4.320 0.002 0.000 0.317 220 A C -0.444 177.131 177.584 -0.016 0.000 1.245 220 A CA -0.452 51.570 52.037 -0.025 0.000 0.857 220 A CB 0.903 19.888 19.000 -0.025 0.000 1.175 220 A HN 0.440 nan 8.150 nan 0.000 0.512 221 V N 2.977 122.884 119.914 -0.011 0.000 2.495 221 V HA 0.759 4.880 4.120 0.002 0.000 0.298 221 V C 0.326 176.419 176.094 -0.001 0.000 1.031 221 V CA -0.082 62.216 62.300 -0.004 0.000 0.871 221 V CB 1.424 33.245 31.823 -0.003 0.000 0.988 221 V HN 1.130 nan 8.190 nan 0.000 0.432 222 T N 0.535 115.091 114.554 0.003 0.000 2.812 222 T HA 0.937 5.288 4.350 0.002 0.000 0.294 222 T C 0.161 174.865 174.700 0.006 0.000 1.159 222 T CA -0.096 62.006 62.100 0.003 0.000 1.008 222 T CB 1.690 70.560 68.868 0.004 0.000 1.289 222 T HN 1.949 nan 8.240 nan 0.000 0.514 223 G N 0.359 109.163 108.800 0.005 0.000 2.615 223 G HA2 0.206 4.167 3.960 0.002 0.000 0.218 223 G HA3 0.206 4.167 3.960 0.002 0.000 0.218 223 G C -0.295 174.608 174.900 0.005 0.000 1.339 223 G CA -0.113 44.991 45.100 0.006 0.000 0.884 223 G HN 1.719 nan 8.290 nan 0.000 0.559 224 S N -1.099 114.604 115.700 0.005 0.000 2.614 224 S HA 0.618 5.089 4.470 0.002 0.000 0.288 224 S C -0.982 173.621 174.600 0.005 0.000 1.137 224 S CA -0.327 57.876 58.200 0.004 0.000 0.992 224 S CB 1.298 64.500 63.200 0.003 0.000 1.026 224 S HN 1.651 nan 8.310 nan 0.000 0.486 225 L N 6.846 128.072 121.223 0.005 0.000 2.287 225 L HA 0.687 5.028 4.340 0.002 0.000 0.287 225 L C -2.610 174.262 176.870 0.004 0.000 1.022 225 L CA -1.885 52.958 54.840 0.005 0.000 0.814 225 L CB 1.306 43.368 42.059 0.005 0.000 1.217 225 L HN 0.395 nan 8.230 nan 0.000 0.420 226 P HA 0.118 nan 4.420 nan 0.000 0.268 226 P C 0.063 177.365 177.300 0.003 0.000 1.204 226 P CA 0.036 63.138 63.100 0.003 0.000 0.768 226 P CB 0.870 32.572 31.700 0.003 0.000 0.842 227 A N 3.641 126.463 122.820 0.003 0.000 2.032 227 A HA -0.200 4.121 4.320 0.002 0.000 0.221 227 A C 1.386 178.972 177.584 0.003 0.000 1.165 227 A CA 2.081 54.120 52.037 0.003 0.000 0.645 227 A CB -0.976 18.026 19.000 0.002 0.000 0.807 227 A HN 0.646 nan 8.150 nan 0.000 0.453 228 D N -0.913 119.488 120.400 0.003 0.000 2.363 228 D HA 0.420 5.061 4.640 0.002 0.000 0.214 228 D C 0.488 176.790 176.300 0.004 0.000 1.093 228 D CA 0.405 54.407 54.000 0.003 0.000 0.837 228 D CB -0.515 40.287 40.800 0.003 0.000 0.948 228 D HN 0.340 nan 8.370 nan 0.000 0.507 229 A N 0.549 123.371 122.820 0.004 0.000 2.371 229 A HA 0.610 4.931 4.320 0.002 0.000 0.257 229 A C 0.746 178.333 177.584 0.005 0.000 1.089 229 A CA -0.120 51.920 52.037 0.004 0.000 0.794 229 A CB 0.379 19.382 19.000 0.005 0.000 1.029 229 A HN 0.362 nan 8.150 nan 0.000 0.488 230 A N 2.584 125.407 122.820 0.005 0.000 2.448 230 A HA 0.527 4.848 4.320 0.002 0.000 0.239 230 A C -2.123 175.465 177.584 0.007 0.000 1.080 230 A CA -0.857 51.184 52.037 0.006 0.000 0.779 230 A CB -0.859 18.145 19.000 0.006 0.000 1.026 230 A HN 0.666 nan 8.150 nan 0.000 0.499 231 P HA 0.252 nan 4.420 nan 0.000 0.269 231 P C -0.840 176.465 177.300 0.008 0.000 1.215 231 P CA -0.161 62.944 63.100 0.008 0.000 0.780 231 P CB 0.460 32.166 31.700 0.009 0.000 0.898 232 V N 3.171 123.090 119.914 0.009 0.000 2.383 232 V HA 0.290 4.411 4.120 0.002 0.000 0.275 232 V C 0.227 176.326 176.094 0.009 0.000 1.036 232 V CA 0.112 62.418 62.300 0.010 0.000 0.889 232 V CB 1.138 32.968 31.823 0.011 0.000 0.985 232 V HN 0.544 nan 8.190 nan 0.000 0.459 233 T N 4.587 119.146 114.554 0.009 0.000 2.812 233 T HA 0.792 5.143 4.350 0.002 0.000 0.282 233 T C -0.241 174.461 174.700 0.004 0.000 0.990 233 T CA -0.356 61.747 62.100 0.006 0.000 0.960 233 T CB 1.598 70.472 68.868 0.010 0.000 0.948 233 T HN 0.929 nan 8.240 nan 0.000 0.438 234 A N 3.183 126.001 122.820 -0.004 0.000 2.515 234 A HA 0.782 5.103 4.320 0.002 0.000 0.298 234 A C -1.090 176.475 177.584 -0.031 0.000 1.059 234 A CA -0.830 51.207 52.037 0.000 0.000 0.698 234 A CB 1.097 20.114 19.000 0.029 0.000 1.289 234 A HN 0.807 nan 8.150 nan 0.000 0.404 235 L N 2.727 123.930 121.223 -0.033 0.000 2.281 235 L HA 0.493 4.834 4.340 0.002 0.000 0.285 235 L C 0.173 177.026 176.870 -0.028 0.000 1.074 235 L CA -0.434 54.363 54.840 -0.072 0.000 0.817 235 L CB 0.481 42.496 42.059 -0.072 0.000 1.168 235 L HN 0.578 nan 8.230 nan 0.000 0.434 236 R N 1.296 121.764 120.500 -0.054 0.000 2.670 236 R HA 0.418 4.759 4.340 0.002 0.000 0.289 236 R C -0.172 176.091 176.300 -0.061 0.000 0.965 236 R CA -0.725 55.336 56.100 -0.065 0.000 0.899 236 R CB 1.966 32.223 30.300 -0.072 0.000 1.173 236 R HN 0.692 nan 8.270 nan 0.000 0.456 237 T N -1.506 113.000 114.554 -0.080 0.000 2.856 237 T HA 0.313 4.664 4.350 0.002 0.000 0.306 237 T C 0.774 175.467 174.700 -0.011 0.000 1.062 237 T CA -0.627 61.449 62.100 -0.039 0.000 1.083 237 T CB 0.668 69.502 68.868 -0.056 0.000 0.984 237 T HN 0.382 nan 8.240 nan 0.000 0.542 238 V N -1.069 118.872 119.914 0.045 0.000 2.919 238 V HA 0.630 4.751 4.120 0.002 0.000 0.316 238 V C -0.386 175.771 176.094 0.105 0.000 1.077 238 V CA -1.329 61.027 62.300 0.095 0.000 0.977 238 V CB 1.640 33.606 31.823 0.238 0.000 1.039 238 V HN 0.938 nan 8.190 nan 0.000 0.441 239 D N 2.078 122.535 120.400 0.095 0.000 2.390 239 D HA 0.236 4.877 4.640 0.002 0.000 0.249 239 D C 0.005 176.410 176.300 0.176 0.000 1.144 239 D CA 0.841 54.898 54.000 0.095 0.000 0.880 239 D CB 0.263 41.083 40.800 0.033 0.000 1.182 239 D HN 0.799 nan 8.370 nan 0.000 0.451 240 E N 2.471 122.759 120.200 0.147 0.000 2.442 240 E HA -0.142 4.209 4.350 0.002 0.000 0.177 240 E C -1.923 174.759 176.600 0.137 0.000 1.505 240 E CA 0.043 56.534 56.400 0.151 0.000 0.662 240 E CB -0.917 28.887 29.700 0.173 0.000 1.117 240 E HN 0.501 nan 8.360 nan 0.000 0.375 241 P HA -0.227 nan 4.420 nan 0.000 0.216 241 P C 1.416 178.718 177.300 0.004 0.000 1.153 241 P CA 2.310 65.441 63.100 0.051 0.000 0.858 241 P CB 0.146 31.888 31.700 0.071 0.000 0.789 242 A N -0.214 122.620 122.820 0.024 0.000 1.933 242 A HA -0.124 4.197 4.320 0.002 0.000 0.218 242 A C 2.302 179.875 177.584 -0.017 0.000 1.175 242 A CA 2.079 54.117 52.037 0.003 0.000 0.628 242 A CB -1.527 17.486 19.000 0.021 0.000 0.814 242 A HN 0.218 nan 8.150 nan 0.000 0.444 243 A N -0.745 122.077 122.820 0.003 0.000 1.968 243 A HA 0.085 4.406 4.320 0.002 0.000 0.217 243 A C 2.062 179.477 177.584 -0.282 0.000 1.169 243 A CA 1.513 53.546 52.037 -0.006 0.000 0.638 243 A CB -0.470 18.642 19.000 0.188 0.000 0.812 243 A HN 0.640 nan 8.150 nan 0.000 0.446 244 L N -0.069 120.843 121.223 -0.518 0.000 2.027 244 L HA -0.011 4.330 4.340 0.002 0.000 0.206 244 L C 2.615 179.331 176.870 -0.256 0.000 1.074 244 L CA 2.147 56.536 54.840 -0.753 0.000 0.745 244 L CB -0.965 40.758 42.059 -0.560 0.000 0.898 244 L HN 0.321 nan 8.230 nan 0.000 0.433 245 A N -0.356 122.387 122.820 -0.127 0.000 1.917 245 A HA -0.147 4.174 4.320 0.002 0.000 0.219 245 A C 2.347 179.936 177.584 0.007 0.000 1.182 245 A CA 1.807 53.821 52.037 -0.039 0.000 0.633 245 A CB -1.652 17.324 19.000 -0.041 0.000 0.819 245 A HN 0.554 nan 8.150 nan 0.000 0.448 246 G N -1.425 107.369 108.800 -0.010 0.000 2.418 246 G HA2 -0.284 3.677 3.960 0.002 0.000 0.217 246 G HA3 -0.284 3.677 3.960 0.002 0.000 0.217 246 G C 1.481 176.423 174.900 0.071 0.000 1.158 246 G CA 1.420 46.546 45.100 0.043 0.000 0.771 246 G HN 0.791 nan 8.290 nan 0.000 0.545 247 H N 0.322 119.343 119.070 -0.082 0.000 2.353 247 H HA 0.101 4.658 4.556 0.001 0.000 0.300 247 H C 2.451 177.764 175.328 -0.025 0.000 1.090 247 H CA 1.380 57.390 56.048 -0.063 0.000 1.327 247 H CB -0.177 29.496 29.762 -0.148 0.000 1.383 247 H HN 0.286 nan 8.280 nan 0.000 0.508 248 L N -1.102 120.128 121.223 0.010 0.000 2.109 248 L HA -0.094 4.247 4.340 0.002 0.000 0.207 248 L C 2.051 178.934 176.870 0.021 0.000 1.086 248 L CA 0.827 55.668 54.840 0.001 0.000 0.760 248 L CB -0.368 41.727 42.059 0.061 0.000 0.910 248 L HN 0.289 nan 8.230 nan 0.000 0.437 249 F N 0.791 120.692 119.950 -0.081 0.000 2.206 249 F HA -0.162 4.366 4.527 0.001 0.000 0.298 249 F C 2.579 178.331 175.800 -0.080 0.000 1.090 249 F CA 1.335 59.296 58.000 -0.065 0.000 1.323 249 F CB -0.128 38.846 39.000 -0.044 0.000 1.028 249 F HN 0.043 nan 8.300 nan 0.000 0.492 250 E N 0.552 120.703 120.200 -0.081 0.000 2.085 250 E HA -0.250 4.101 4.350 0.002 0.000 0.194 250 E C 2.046 178.503 176.600 -0.238 0.000 0.994 250 E CA 1.787 58.079 56.400 -0.180 0.000 0.801 250 E CB -0.142 29.479 29.700 -0.132 0.000 0.743 250 E HN 0.593 nan 8.360 nan 0.000 0.453 251 E N -0.006 120.049 120.200 -0.241 0.000 2.047 251 E HA -0.158 4.193 4.350 0.002 0.000 0.191 251 E C 2.058 178.547 176.600 -0.186 0.000 0.987 251 E CA 0.941 57.218 56.400 -0.206 0.000 0.799 251 E CB -0.153 29.428 29.700 -0.198 0.000 0.752 251 E HN 0.270 nan 8.360 nan 0.000 0.449 252 A N 1.195 123.893 122.820 -0.203 0.000 1.940 252 A HA -0.189 4.132 4.320 0.002 0.000 0.219 252 A C 2.182 179.590 177.584 -0.294 0.000 1.176 252 A CA 1.122 53.031 52.037 -0.213 0.000 0.631 252 A CB -0.653 18.236 19.000 -0.185 0.000 0.814 252 A HN 0.141 nan 8.150 nan 0.000 0.446 253 L N -0.684 120.275 121.223 -0.441 0.000 1.994 253 L HA -0.185 4.156 4.340 0.002 0.000 0.208 253 L C 2.710 179.449 176.870 -0.218 0.000 1.071 253 L CA 1.515 56.119 54.840 -0.393 0.000 0.745 253 L CB -0.535 41.254 42.059 -0.449 0.000 0.892 253 L HN 0.406 nan 8.230 nan 0.000 0.431 254 E N -0.693 119.398 120.200 -0.183 0.000 2.153 254 E HA -0.213 4.138 4.350 0.002 0.000 0.194 254 E C 2.300 178.840 176.600 -0.100 0.000 0.988 254 E CA 1.323 57.651 56.400 -0.121 0.000 0.811 254 E CB -0.137 29.499 29.700 -0.107 0.000 0.746 254 E HN 0.300 nan 8.360 nan 0.000 0.466 255 S N 0.670 116.304 115.700 -0.110 0.000 2.423 255 S HA -0.049 4.422 4.470 0.002 0.000 0.231 255 S C 1.238 175.793 174.600 -0.075 0.000 1.014 255 S CA 0.587 58.737 58.200 -0.083 0.000 0.965 255 S CB -0.007 63.144 63.200 -0.082 0.000 0.785 255 S HN 0.198 nan 8.310 nan 0.000 0.495 256 N N 0.145 118.789 118.700 -0.093 0.000 2.321 256 N HA 0.213 4.954 4.740 0.002 0.000 0.242 256 N C 0.817 176.287 175.510 -0.067 0.000 1.141 256 N CA 0.606 53.611 53.050 -0.076 0.000 0.864 256 N CB 0.959 39.395 38.487 -0.085 0.000 1.100 256 N HN 0.499 nan 8.380 nan 0.000 0.510 257 G N 0.201 108.962 108.800 -0.064 0.000 2.176 257 G HA2 -0.265 3.696 3.960 0.002 0.000 0.253 257 G HA3 -0.265 3.696 3.960 0.002 0.000 0.253 257 G C 0.051 174.918 174.900 -0.055 0.000 0.979 257 G CA -0.064 45.005 45.100 -0.052 0.000 0.641 257 G HN 0.199 nan 8.290 nan 0.000 0.530 258 V N 2.378 122.246 119.914 -0.076 0.000 2.348 258 V HA 0.497 4.618 4.120 0.002 0.000 0.270 258 V C 0.704 176.754 176.094 -0.075 0.000 1.037 258 V CA 0.009 62.265 62.300 -0.072 0.000 0.872 258 V CB 1.268 33.038 31.823 -0.089 0.000 1.002 258 V HN 0.280 nan 8.190 nan 0.000 0.464 259 T N 5.062 119.586 114.554 -0.051 0.000 2.794 259 T HA 0.326 4.677 4.350 0.002 0.000 0.296 259 T C 0.054 174.730 174.700 -0.040 0.000 0.949 259 T CA -0.136 61.937 62.100 -0.046 0.000 1.101 259 T CB 1.106 69.955 68.868 -0.031 0.000 0.905 259 T HN 0.354 nan 8.240 nan 0.000 0.516 260 V N 5.790 125.675 119.914 -0.048 0.000 2.364 260 V HA 0.209 4.330 4.120 0.002 0.000 0.272 260 V C 1.194 177.270 176.094 -0.030 0.000 1.036 260 V CA -0.517 61.760 62.300 -0.038 0.000 0.880 260 V CB 1.260 33.053 31.823 -0.051 0.000 0.991 260 V HN 0.784 nan 8.190 nan 0.000 0.460 261 K N 3.265 123.654 120.400 -0.018 0.000 2.211 261 K HA 0.149 4.470 4.320 0.002 0.000 0.201 261 K C 1.277 177.867 176.600 -0.017 0.000 1.052 261 K CA 0.755 57.034 56.287 -0.013 0.000 0.973 261 K CB 0.167 32.665 32.500 -0.003 0.000 0.766 261 K HN 0.744 nan 8.250 nan 0.000 0.466 262 G N 1.412 110.198 108.800 -0.024 0.000 2.514 262 G HA2 0.077 4.038 3.960 0.002 0.000 0.245 262 G HA3 0.077 4.038 3.960 0.002 0.000 0.245 262 G C -0.309 174.555 174.900 -0.059 0.000 1.488 262 G CA -0.377 44.700 45.100 -0.038 0.000 1.063 262 G HN 0.025 nan 8.290 nan 0.000 0.557 263 D N -1.107 119.238 120.400 -0.093 0.000 2.326 263 D HA 0.439 5.080 4.640 0.002 0.000 0.251 263 D C -0.368 175.835 176.300 -0.161 0.000 1.023 263 D CA -0.245 53.698 54.000 -0.095 0.000 0.966 263 D CB 2.167 42.923 40.800 -0.073 0.000 1.156 263 D HN 0.037 nan 8.370 nan 0.000 0.494 264 V N 0.319 120.171 119.914 -0.103 0.000 2.439 264 V HA 0.739 4.860 4.120 0.002 0.000 0.282 264 V C 0.811 176.846 176.094 -0.099 0.000 1.039 264 V CA -0.124 62.108 62.300 -0.115 0.000 0.913 264 V CB 1.197 33.011 31.823 -0.015 0.000 0.983 264 V HN 0.798 nan 8.190 nan 0.000 0.460 265 G N 3.426 112.129 108.800 -0.161 0.000 2.561 265 G HA2 0.607 4.568 3.960 0.002 0.000 0.310 265 G HA3 0.607 4.568 3.960 0.002 0.000 0.310 265 G C -1.844 173.060 174.900 0.006 0.000 1.292 265 G CA -0.880 44.185 45.100 -0.058 0.000 0.811 265 G HN 0.542 nan 8.290 nan 0.000 0.482 266 L N 0.267 121.554 121.223 0.107 0.000 2.322 266 L HA 0.809 5.150 4.340 0.002 0.000 0.279 266 L C 0.577 177.600 176.870 0.255 0.000 1.036 266 L CA -0.206 54.723 54.840 0.149 0.000 0.807 266 L CB 1.937 44.059 42.059 0.105 0.000 1.226 266 L HN 1.032 nan 8.230 nan 0.000 0.433 267 G N 0.866 109.787 108.800 0.201 0.000 2.473 267 G HA2 0.480 4.441 3.960 0.002 0.000 0.298 267 G HA3 0.480 4.441 3.960 0.002 0.000 0.298 267 G C -1.245 173.730 174.900 0.125 0.000 1.575 267 G CA -0.377 44.774 45.100 0.085 0.000 0.846 267 G HN 0.762 nan 8.290 nan 0.000 0.585 268 G N -0.531 108.300 108.800 0.052 0.000 2.400 268 G HA2 0.579 4.540 3.960 0.002 0.000 0.301 268 G HA3 0.579 4.540 3.960 0.002 0.000 0.301 268 G C 0.235 174.985 174.900 -0.250 0.000 1.154 268 G CA -0.466 44.628 45.100 -0.011 0.000 0.852 268 G HN 1.128 nan 8.290 nan 0.000 0.511 269 V N 3.962 123.536 119.914 -0.566 0.000 2.539 269 V HA -0.032 4.089 4.120 0.002 0.000 0.300 269 V C -0.620 174.937 176.094 -0.895 0.000 1.019 269 V CA -0.427 61.126 62.300 -1.245 0.000 1.160 269 V CB 0.911 32.228 31.823 -0.844 0.000 0.901 269 V HN 0.680 nan 8.190 nan 0.000 0.481 270 P HA -0.260 nan 4.420 nan 0.000 0.216 270 P C 1.118 178.205 177.300 -0.355 0.000 1.167 270 P CA 2.436 65.147 63.100 -0.647 0.000 0.914 270 P CB 0.088 31.348 31.700 -0.734 0.000 0.793 271 A N -3.196 119.448 122.820 -0.293 0.000 3.508 271 A HA -0.243 4.078 4.320 0.002 0.000 0.221 271 A C 1.633 179.209 177.584 -0.013 0.000 0.779 271 A CA 1.243 53.215 52.037 -0.108 0.000 1.840 271 A CB -2.637 16.308 19.000 -0.092 0.000 0.875 271 A HN 0.222 nan 8.150 nan 0.000 0.669 272 D N -0.776 119.623 120.400 -0.001 0.000 2.149 272 D HA -0.151 4.490 4.640 0.002 0.000 0.194 272 D C 0.510 176.960 176.300 0.250 0.000 1.001 272 D CA 1.626 55.699 54.000 0.122 0.000 0.849 272 D CB -0.196 40.712 40.800 0.180 0.000 0.939 272 D HN 0.670 nan 8.370 nan 0.000 0.449 273 W N 2.013 123.269 121.300 -0.072 0.000 2.591 273 W HA 0.102 4.762 4.660 0.001 0.000 0.330 273 W C 1.451 177.938 176.519 -0.052 0.000 1.435 273 W CA -0.429 56.874 57.345 -0.069 0.000 1.350 273 W CB 0.081 29.477 29.460 -0.107 0.000 1.434 273 W HN 0.040 nan 8.180 nan 0.000 0.553 274 Q N 1.210 121.082 119.800 0.120 0.000 2.123 274 Q HA -0.101 4.240 4.340 0.002 0.000 0.196 274 Q C 0.084 176.107 176.000 0.037 0.000 0.958 274 Q CA 1.300 57.137 55.803 0.057 0.000 0.841 274 Q CB 0.122 28.873 28.738 0.022 0.000 0.915 274 Q HN 0.460 nan 8.270 nan 0.000 0.455 275 D N -0.426 119.981 120.400 0.011 0.000 2.517 275 D HA 0.334 4.975 4.640 0.002 0.000 0.263 275 D C -1.344 174.943 176.300 -0.022 0.000 1.233 275 D CA -0.178 53.820 54.000 -0.003 0.000 0.849 275 D CB 0.339 41.126 40.800 -0.020 0.000 1.261 275 D HN 0.099 nan 8.370 nan 0.000 0.516 276 A N 2.042 124.880 122.820 0.029 0.000 2.511 276 A HA 0.389 4.710 4.320 0.002 0.000 0.242 276 A C 0.380 177.969 177.584 0.007 0.000 1.069 276 A CA -0.101 51.962 52.037 0.042 0.000 0.763 276 A CB 0.466 19.587 19.000 0.202 0.000 1.001 276 A HN 0.424 nan 8.150 nan 0.000 0.498 277 E N 2.064 122.247 120.200 -0.029 0.000 2.115 277 E HA 0.409 4.760 4.350 0.002 0.000 0.282 277 E C -0.921 175.696 176.600 0.029 0.000 0.987 277 E CA -0.215 56.176 56.400 -0.015 0.000 0.797 277 E CB 0.898 30.571 29.700 -0.045 0.000 1.086 277 E HN 0.313 nan 8.360 nan 0.000 0.397 278 V N 7.625 127.556 119.914 0.029 0.000 2.387 278 V HA 0.048 4.169 4.120 0.002 0.000 0.260 278 V C 1.208 177.324 176.094 0.037 0.000 1.054 278 V CA 0.172 62.495 62.300 0.038 0.000 0.967 278 V CB 0.464 32.297 31.823 0.016 0.000 1.036 278 V HN 0.824 nan 8.190 nan 0.000 0.481 279 L N 4.011 125.270 121.223 0.059 0.000 2.307 279 L HA 0.428 4.769 4.340 0.002 0.000 0.211 279 L C 0.962 177.874 176.870 0.070 0.000 1.099 279 L CA 0.764 55.642 54.840 0.063 0.000 0.816 279 L CB 0.135 42.246 42.059 0.087 0.000 0.952 279 L HN 0.740 nan 8.230 nan 0.000 0.455 280 A N -0.159 122.706 122.820 0.075 0.000 2.594 280 A HA 0.597 4.918 4.320 0.002 0.000 0.295 280 A C -1.778 175.834 177.584 0.047 0.000 1.071 280 A CA -0.620 51.463 52.037 0.076 0.000 0.685 280 A CB 1.546 20.623 19.000 0.128 0.000 1.285 280 A HN 0.113 nan 8.150 nan 0.000 0.405 281 D N -0.144 120.284 120.400 0.048 0.000 2.615 281 D HA 0.581 5.222 4.640 0.002 0.000 0.267 281 D C -1.301 175.058 176.300 0.098 0.000 1.236 281 D CA -0.249 53.771 54.000 0.033 0.000 0.839 281 D CB 1.625 42.421 40.800 -0.007 0.000 1.380 281 D HN 0.700 nan 8.370 nan 0.000 0.433 282 H N -1.240 117.804 119.070 -0.044 0.000 2.974 282 H HA 0.516 5.073 4.556 0.002 0.000 0.366 282 H C -1.556 173.742 175.328 -0.051 0.000 1.155 282 H CA -0.130 55.897 56.048 -0.035 0.000 1.186 282 H CB 2.295 32.044 29.762 -0.021 0.000 1.799 282 H HN 0.314 nan 8.280 nan 0.000 0.541 283 T N 3.332 117.453 114.554 -0.721 0.000 2.797 283 T HA 0.380 4.731 4.350 0.002 0.000 0.279 283 T C -0.090 174.204 174.700 -0.678 0.000 0.991 283 T CA -0.499 61.279 62.100 -0.535 0.000 0.979 283 T CB 0.889 69.570 68.868 -0.312 0.000 0.943 283 T HN 0.734 nan 8.240 nan 0.000 0.444 284 S N 2.596 118.103 115.700 -0.321 0.000 2.626 284 S HA 0.686 5.157 4.470 0.002 0.000 0.257 284 S C 0.758 175.300 174.600 -0.098 0.000 1.288 284 S CA -0.746 57.376 58.200 -0.129 0.000 0.980 284 S CB 0.357 63.584 63.200 0.046 0.000 0.975 284 S HN 0.931 nan 8.310 nan 0.000 0.577 285 A N 0.514 123.313 122.820 -0.035 0.000 2.366 285 A HA 0.319 4.640 4.320 0.002 0.000 0.250 285 A C 0.619 178.199 177.584 -0.006 0.000 1.099 285 A CA -0.463 51.566 52.037 -0.013 0.000 0.794 285 A CB -0.396 18.614 19.000 0.017 0.000 1.056 285 A HN 0.871 nan 8.150 nan 0.000 0.499 286 E N -0.401 119.798 120.200 -0.003 0.000 2.392 286 E HA 0.084 4.435 4.350 0.002 0.000 0.259 286 E C 0.748 177.384 176.600 0.060 0.000 1.108 286 E CA -0.553 55.844 56.400 -0.004 0.000 0.916 286 E CB 0.470 30.172 29.700 0.003 0.000 0.989 286 E HN 0.567 nan 8.360 nan 0.000 0.432 287 L N 2.778 124.048 121.223 0.078 0.000 2.079 287 L HA -0.249 4.092 4.340 0.002 0.000 0.210 287 L C 2.350 179.298 176.870 0.130 0.000 1.081 287 L CA 2.390 57.318 54.840 0.146 0.000 0.752 287 L CB -0.832 41.311 42.059 0.139 0.000 0.896 287 L HN 0.680 nan 8.230 nan 0.000 0.433 288 S N -1.395 114.370 115.700 0.108 0.000 2.400 288 S HA -0.189 4.282 4.470 0.002 0.000 0.232 288 S C 1.745 176.424 174.600 0.132 0.000 1.025 288 S CA 1.285 59.558 58.200 0.121 0.000 0.993 288 S CB -0.555 62.713 63.200 0.112 0.000 0.808 288 S HN 0.573 nan 8.310 nan 0.000 0.478 289 E N 1.470 121.742 120.200 0.121 0.000 2.086 289 E HA 0.188 4.539 4.350 0.002 0.000 0.190 289 E C 2.128 178.832 176.600 0.173 0.000 0.975 289 E CA 0.646 57.129 56.400 0.138 0.000 0.813 289 E CB -0.585 29.182 29.700 0.112 0.000 0.768 289 E HN 0.610 nan 8.360 nan 0.000 0.457 290 I N 1.327 121.981 120.570 0.139 0.000 2.335 290 I HA -0.250 3.921 4.170 0.002 0.000 0.251 290 I C 2.343 178.613 176.117 0.255 0.000 1.129 290 I CA 0.736 62.115 61.300 0.131 0.000 1.402 290 I CB -0.265 37.748 38.000 0.023 0.000 1.069 290 I HN 0.036 nan 8.210 nan 0.000 0.424 291 L N -0.121 121.257 121.223 0.260 0.000 2.129 291 L HA -0.236 4.105 4.340 0.002 0.000 0.212 291 L C 2.526 179.548 176.870 0.254 0.000 1.087 291 L CA 1.116 56.152 54.840 0.327 0.000 0.757 291 L CB -0.603 41.590 42.059 0.224 0.000 0.896 291 L HN 0.156 nan 8.230 nan 0.000 0.434 292 V N 0.523 120.573 119.914 0.226 0.000 2.216 292 V HA -0.170 3.951 4.120 0.002 0.000 0.243 292 V C -0.148 176.035 176.094 0.149 0.000 1.044 292 V CA 2.109 64.509 62.300 0.166 0.000 0.995 292 V CB -1.938 30.029 31.823 0.239 0.000 0.633 292 V HN 0.349 nan 8.190 nan 0.000 0.446 293 P HA -0.216 nan 4.420 nan 0.000 0.219 293 P C 1.756 179.311 177.300 0.425 0.000 1.146 293 P CA 1.750 65.104 63.100 0.423 0.000 0.808 293 P CB -0.192 31.939 31.700 0.718 0.000 0.779 294 F N 0.474 120.616 119.950 0.320 0.000 2.051 294 F HA -0.192 4.336 4.527 0.002 0.000 0.296 294 F C 2.122 177.966 175.800 0.073 0.000 1.122 294 F CA 1.446 59.619 58.000 0.288 0.000 1.201 294 F CB -0.297 38.914 39.000 0.351 0.000 0.978 294 F HN -0.281 nan 8.300 nan 0.000 0.472 295 M N 0.343 119.741 119.600 -0.338 0.000 2.334 295 M HA -0.066 4.415 4.480 0.002 0.000 0.266 295 M C 1.875 177.929 176.300 -0.412 0.000 1.082 295 M CA 1.065 56.035 55.300 -0.549 0.000 1.141 295 M CB -1.001 31.297 32.600 -0.502 0.000 1.380 295 M HN 0.091 nan 8.290 nan 0.000 0.440 296 K N 0.224 120.359 120.400 -0.441 0.000 2.057 296 K HA -0.067 4.254 4.320 0.002 0.000 0.207 296 K C 1.524 177.675 176.600 -0.749 0.000 1.049 296 K CA 1.419 57.284 56.287 -0.702 0.000 0.931 296 K CB -0.322 31.529 32.500 -1.082 0.000 0.714 296 K HN 0.319 nan 8.250 nan 0.000 0.440 297 F N 0.058 119.902 119.950 -0.176 0.000 2.682 297 F HA 0.246 4.774 4.527 0.002 0.000 0.308 297 F C 0.523 176.254 175.800 -0.116 0.000 1.093 297 F CA -0.519 57.391 58.000 -0.149 0.000 1.244 297 F CB 0.150 39.057 39.000 -0.155 0.000 1.052 297 F HN -0.230 nan 8.300 nan 0.000 0.573 298 S N 1.419 117.097 115.700 -0.036 0.000 3.766 298 S HA -0.294 4.177 4.470 0.002 0.000 0.416 298 S C 0.003 174.644 174.600 0.068 0.000 0.902 298 S CA 0.054 58.221 58.200 -0.056 0.000 1.283 298 S CB -1.832 61.327 63.200 -0.069 0.000 0.891 298 S HN 0.611 nan 8.310 nan 0.000 0.556 299 N N 1.632 120.431 118.700 0.165 0.000 2.401 299 N HA 0.320 5.061 4.740 0.002 0.000 0.255 299 N C 1.158 176.823 175.510 0.259 0.000 1.110 299 N CA -0.585 52.540 53.050 0.125 0.000 0.949 299 N CB 0.397 38.752 38.487 -0.219 0.000 1.110 299 N HN 0.368 nan 8.380 nan 0.000 0.490 300 N N 2.547 121.355 118.700 0.179 0.000 2.106 300 N HA -0.089 4.652 4.740 0.002 0.000 0.188 300 N C 1.807 177.470 175.510 0.255 0.000 1.029 300 N CA 1.122 54.301 53.050 0.216 0.000 0.848 300 N CB -0.508 38.051 38.487 0.121 0.000 1.007 300 N HN 0.686 nan 8.380 nan 0.000 0.423 301 G N 0.891 109.815 108.800 0.207 0.000 2.440 301 G HA2 -0.281 3.680 3.960 0.002 0.000 0.218 301 G HA3 -0.281 3.680 3.960 0.002 0.000 0.218 301 G C 1.240 176.284 174.900 0.239 0.000 1.154 301 G CA 1.058 46.301 45.100 0.238 0.000 0.767 301 G HN 0.349 nan 8.290 nan 0.000 0.552 302 H N 1.120 120.208 119.070 0.030 0.000 2.289 302 H HA -0.029 4.528 4.556 0.002 0.000 0.296 302 H C 2.923 178.026 175.328 -0.374 0.000 1.091 302 H CA 1.282 57.191 56.048 -0.231 0.000 1.274 302 H CB -0.954 28.592 29.762 -0.360 0.000 1.364 302 H HN 0.368 nan 8.280 nan 0.000 0.490 303 A N 1.307 124.091 122.820 -0.061 0.000 1.892 303 A HA -0.206 4.115 4.320 0.002 0.000 0.218 303 A C 2.269 179.922 177.584 0.115 0.000 1.188 303 A CA 2.008 54.088 52.037 0.073 0.000 0.631 303 A CB -0.213 19.041 19.000 0.423 0.000 0.822 303 A HN 0.350 nan 8.150 nan 0.000 0.447 304 E N -0.423 119.899 120.200 0.204 0.000 2.107 304 E HA -0.101 4.250 4.350 0.002 0.000 0.191 304 E C 2.097 178.640 176.600 -0.095 0.000 0.982 304 E CA 1.049 57.582 56.400 0.221 0.000 0.809 304 E CB -0.506 29.479 29.700 0.476 0.000 0.756 304 E HN 0.731 nan 8.360 nan 0.000 0.459 305 M N 0.314 119.876 119.600 -0.062 0.000 2.117 305 M HA -0.133 4.348 4.480 0.002 0.000 0.262 305 M C 2.403 178.599 176.300 -0.174 0.000 1.065 305 M CA 1.278 56.518 55.300 -0.100 0.000 1.114 305 M CB -0.388 32.237 32.600 0.041 0.000 1.361 305 M HN 0.062 nan 8.290 nan 0.000 0.408 306 L N -0.646 120.484 121.223 -0.155 0.000 2.079 306 L HA -0.205 4.136 4.340 0.002 0.000 0.210 306 L C 2.434 179.246 176.870 -0.096 0.000 1.081 306 L CA 0.907 55.684 54.840 -0.105 0.000 0.752 306 L CB -0.717 41.265 42.059 -0.130 0.000 0.896 306 L HN 0.144 nan 8.230 nan 0.000 0.433 307 V N -0.019 119.823 119.914 -0.120 0.000 2.343 307 V HA -0.286 3.835 4.120 0.002 0.000 0.247 307 V C 2.435 178.364 176.094 -0.276 0.000 1.051 307 V CA 1.787 64.019 62.300 -0.114 0.000 1.036 307 V CB -0.437 31.390 31.823 0.006 0.000 0.654 307 V HN 0.443 nan 8.190 nan 0.000 0.451 308 K N -0.539 119.518 120.400 -0.571 0.000 2.167 308 K HA -0.048 4.273 4.320 0.002 0.000 0.203 308 K C 2.424 178.702 176.600 -0.536 0.000 1.052 308 K CA 1.232 57.001 56.287 -0.862 0.000 0.956 308 K CB -0.197 31.214 32.500 -1.815 0.000 0.735 308 K HN 0.329 nan 8.250 nan 0.000 0.451 309 S N 1.617 117.184 115.700 -0.223 0.000 2.356 309 S HA -0.100 4.371 4.470 0.002 0.000 0.223 309 S C 1.968 176.595 174.600 0.045 0.000 1.032 309 S CA 1.053 59.374 58.200 0.202 0.000 1.005 309 S CB -0.200 63.234 63.200 0.389 0.000 0.867 309 S HN 0.190 nan 8.310 nan 0.000 0.449 310 I N 1.355 121.903 120.570 -0.036 0.000 2.151 310 I HA -0.217 3.954 4.170 0.002 0.000 0.243 310 I C 2.660 178.736 176.117 -0.068 0.000 1.080 310 I CA 1.278 62.550 61.300 -0.045 0.000 1.339 310 I CB -0.881 37.098 38.000 -0.035 0.000 1.039 310 I HN 0.384 nan 8.210 nan 0.000 0.409 311 G N -0.185 108.540 108.800 -0.125 0.000 2.476 311 G HA2 -0.268 3.693 3.960 0.002 0.000 0.218 311 G HA3 -0.268 3.693 3.960 0.002 0.000 0.218 311 G C 1.573 176.385 174.900 -0.148 0.000 1.164 311 G CA 0.466 45.480 45.100 -0.143 0.000 0.768 311 G HN 0.295 nan 8.290 nan 0.000 0.560 312 Q N 0.005 119.694 119.800 -0.185 0.000 2.061 312 Q HA -0.122 4.219 4.340 0.002 0.000 0.204 312 Q C 2.471 178.428 176.000 -0.071 0.000 0.984 312 Q CA 1.701 57.363 55.803 -0.234 0.000 0.846 312 Q CB -0.360 28.109 28.738 -0.449 0.000 0.902 312 Q HN 0.571 nan 8.270 nan 0.000 0.421 313 E N -0.288 119.917 120.200 0.009 0.000 2.150 313 E HA -0.100 4.250 4.350 0.002 0.000 0.193 313 E C 1.850 178.454 176.600 0.007 0.000 0.985 313 E CA 1.472 57.896 56.400 0.040 0.000 0.814 313 E CB -0.125 29.588 29.700 0.021 0.000 0.752 313 E HN 0.187 nan 8.360 nan 0.000 0.466 314 T N -1.988 112.554 114.554 -0.019 0.000 2.939 314 T HA 0.231 4.582 4.350 0.002 0.000 0.254 314 T C 1.139 175.824 174.700 -0.025 0.000 1.041 314 T CA 1.211 63.300 62.100 -0.019 0.000 1.142 314 T CB -0.006 68.848 68.868 -0.023 0.000 0.874 314 T HN 0.212 nan 8.240 nan 0.000 0.452 315 A N -1.093 121.699 122.820 -0.047 0.000 2.653 315 A HA 0.601 4.921 4.320 0.002 0.000 0.248 315 A C 1.387 178.931 177.584 -0.067 0.000 1.211 315 A CA 0.763 52.770 52.037 -0.050 0.000 0.991 315 A CB 0.046 19.013 19.000 -0.055 0.000 1.252 315 A HN 0.843 nan 8.150 nan 0.000 0.593 316 G N -0.734 108.011 108.800 -0.091 0.000 2.176 316 G HA2 0.188 4.149 3.960 0.002 0.000 0.252 316 G HA3 0.188 4.149 3.960 0.002 0.000 0.252 316 G C 0.230 175.028 174.900 -0.171 0.000 1.024 316 G CA 0.409 45.435 45.100 -0.124 0.000 0.755 316 G HN 1.902 nan 8.290 nan 0.000 0.507 317 A N -0.309 122.398 122.820 -0.188 0.000 2.411 317 A HA 0.781 5.102 4.320 0.002 0.000 0.285 317 A C 0.603 178.037 177.584 -0.249 0.000 1.129 317 A CA 0.469 52.390 52.037 -0.193 0.000 0.736 317 A CB 1.243 20.166 19.000 -0.128 0.000 1.186 317 A HN 1.700 nan 8.150 nan 0.000 0.445 318 G N 2.593 111.214 108.800 -0.297 0.000 3.102 318 G HA2 0.434 4.395 3.960 0.002 0.000 0.264 318 G HA3 0.434 4.395 3.960 0.002 0.000 0.264 318 G C 0.363 175.046 174.900 -0.362 0.000 0.788 318 G CA 0.713 45.622 45.100 -0.318 0.000 2.029 318 G HN 1.140 nan 8.290 nan 0.000 0.608 319 T N -3.632 110.718 114.554 -0.341 0.000 2.901 319 T HA 0.362 4.713 4.350 0.002 0.000 0.293 319 T C 0.647 175.187 174.700 -0.267 0.000 1.084 319 T CA -0.955 60.971 62.100 -0.291 0.000 1.008 319 T CB 1.682 70.469 68.868 -0.135 0.000 1.170 319 T HN 0.182 nan 8.240 nan 0.000 0.509 320 W N 0.764 121.956 121.300 -0.181 0.000 2.381 320 W HA -0.020 4.641 4.660 0.001 0.000 0.301 320 W C 1.434 177.877 176.519 -0.126 0.000 1.205 320 W CA 1.417 58.663 57.345 -0.165 0.000 1.285 320 W CB -0.653 28.703 29.460 -0.173 0.000 1.133 320 W HN 0.790 nan 8.180 nan 0.000 0.521 321 D N -0.181 120.286 120.400 0.111 0.000 2.123 321 D HA -0.135 4.506 4.640 0.002 0.000 0.196 321 D C 2.264 178.567 176.300 0.004 0.000 0.992 321 D CA 2.125 56.149 54.000 0.041 0.000 0.833 321 D CB -0.698 40.112 40.800 0.016 0.000 0.954 321 D HN 0.005 nan 8.370 nan 0.000 0.455 322 A N 0.305 123.108 122.820 -0.027 0.000 1.898 322 A HA 0.126 4.447 4.320 0.002 0.000 0.214 322 A C 2.333 179.888 177.584 -0.049 0.000 1.183 322 A CA 1.732 53.741 52.037 -0.047 0.000 0.622 322 A CB -0.942 18.012 19.000 -0.077 0.000 0.824 322 A HN 0.286 nan 8.150 nan 0.000 0.444 323 G N -0.083 108.676 108.800 -0.069 0.000 2.421 323 G HA2 -0.112 3.849 3.960 0.002 0.000 0.216 323 G HA3 -0.112 3.849 3.960 0.002 0.000 0.216 323 G C 1.376 176.275 174.900 -0.002 0.000 1.171 323 G CA 1.134 46.196 45.100 -0.063 0.000 0.775 323 G HN 0.310 nan 8.290 nan 0.000 0.543 324 L N 0.612 121.856 121.223 0.036 0.000 2.042 324 L HA -0.041 4.300 4.340 0.002 0.000 0.210 324 L C 3.153 180.033 176.870 0.017 0.000 1.076 324 L CA 0.851 55.718 54.840 0.045 0.000 0.749 324 L CB -1.003 41.087 42.059 0.052 0.000 0.893 324 L HN 0.106 nan 8.230 nan 0.000 0.432 325 V N -0.272 119.645 119.914 0.005 0.000 2.332 325 V HA -0.252 3.869 4.120 0.002 0.000 0.248 325 V C 2.547 178.642 176.094 0.001 0.000 1.055 325 V CA 1.884 64.182 62.300 -0.002 0.000 1.038 325 V CB -1.223 30.595 31.823 -0.009 0.000 0.651 325 V HN 0.589 nan 8.190 nan 0.000 0.450 326 G N -0.537 108.261 108.800 -0.002 0.000 2.418 326 G HA2 -0.209 3.752 3.960 0.002 0.000 0.217 326 G HA3 -0.209 3.752 3.960 0.002 0.000 0.217 326 G C 1.667 176.578 174.900 0.019 0.000 1.158 326 G CA 1.222 46.323 45.100 0.001 0.000 0.771 326 G HN 0.388 nan 8.290 nan 0.000 0.545 327 V N 0.762 120.694 119.914 0.030 0.000 2.255 327 V HA -0.190 3.931 4.120 0.002 0.000 0.247 327 V C 2.746 178.874 176.094 0.057 0.000 1.051 327 V CA 2.181 64.515 62.300 0.058 0.000 1.018 327 V CB -0.375 31.495 31.823 0.080 0.000 0.641 327 V HN 0.407 nan 8.190 nan 0.000 0.445 328 E N 0.419 120.637 120.200 0.031 0.000 2.049 328 E HA -0.295 4.056 4.350 0.002 0.000 0.198 328 E C 2.234 178.850 176.600 0.027 0.000 1.007 328 E CA 2.108 58.519 56.400 0.017 0.000 0.809 328 E CB -0.167 29.529 29.700 -0.006 0.000 0.749 328 E HN 0.712 nan 8.360 nan 0.000 0.450 329 E N -0.258 119.955 120.200 0.022 0.000 2.085 329 E HA -0.193 4.158 4.350 0.002 0.000 0.194 329 E C 1.966 178.588 176.600 0.036 0.000 0.994 329 E CA 1.418 57.831 56.400 0.023 0.000 0.801 329 E CB -0.184 29.526 29.700 0.016 0.000 0.743 329 E HN 0.352 nan 8.360 nan 0.000 0.453 330 A N 0.374 123.221 122.820 0.046 0.000 1.902 330 A HA -0.172 4.149 4.320 0.002 0.000 0.217 330 A C 2.132 179.766 177.584 0.082 0.000 1.181 330 A CA 1.176 53.250 52.037 0.063 0.000 0.623 330 A CB -0.605 18.433 19.000 0.063 0.000 0.818 330 A HN 0.227 nan 8.150 nan 0.000 0.443 331 L N -0.686 120.591 121.223 0.091 0.000 2.056 331 L HA -0.146 4.195 4.340 0.002 0.000 0.207 331 L C 2.862 179.782 176.870 0.083 0.000 1.078 331 L CA 1.435 56.344 54.840 0.115 0.000 0.749 331 L CB -0.496 41.656 42.059 0.154 0.000 0.901 331 L HN 0.296 nan 8.230 nan 0.000 0.433 332 S N 0.126 115.861 115.700 0.057 0.000 2.370 332 S HA -0.154 4.317 4.470 0.002 0.000 0.226 332 S C 2.017 176.639 174.600 0.036 0.000 1.033 332 S CA 1.312 59.536 58.200 0.040 0.000 1.011 332 S CB -0.658 62.558 63.200 0.026 0.000 0.852 332 S HN 0.623 nan 8.310 nan 0.000 0.457 333 G N 0.758 109.582 108.800 0.040 0.000 2.470 333 G HA2 -0.133 3.828 3.960 0.002 0.000 0.220 333 G HA3 -0.133 3.828 3.960 0.002 0.000 0.220 333 G C 1.192 176.113 174.900 0.035 0.000 1.121 333 G CA 0.532 45.654 45.100 0.036 0.000 0.766 333 G HN 0.451 nan 8.290 nan 0.000 0.553 334 L N 0.021 121.272 121.223 0.047 0.000 2.567 334 L HA 0.412 4.753 4.340 0.002 0.000 0.225 334 L C 1.879 178.756 176.870 0.012 0.000 1.119 334 L CA 1.252 56.113 54.840 0.035 0.000 0.871 334 L CB 0.069 42.172 42.059 0.074 0.000 1.036 334 L HN 0.355 nan 8.230 nan 0.000 0.459 335 G N -1.143 107.670 108.800 0.021 0.000 2.176 335 G HA2 -0.216 3.745 3.960 0.002 0.000 0.232 335 G HA3 -0.216 3.745 3.960 0.002 0.000 0.232 335 G C 0.223 175.142 174.900 0.032 0.000 0.986 335 G CA 0.093 45.203 45.100 0.017 0.000 0.643 335 G HN 0.195 nan 8.290 nan 0.000 0.522 336 V N 1.847 121.792 119.914 0.052 0.000 2.508 336 V HA 0.399 4.520 4.120 0.002 0.000 0.281 336 V C 0.567 176.697 176.094 0.060 0.000 1.041 336 V CA -0.084 62.263 62.300 0.077 0.000 1.016 336 V CB 1.542 33.447 31.823 0.136 0.000 0.984 336 V HN 0.384 nan 8.190 nan 0.000 0.478 337 D N 3.977 124.408 120.400 0.051 0.000 2.338 337 D HA 0.083 4.724 4.640 0.002 0.000 0.255 337 D C 1.198 177.513 176.300 0.025 0.000 1.237 337 D CA 0.080 54.099 54.000 0.032 0.000 0.883 337 D CB 1.371 42.187 40.800 0.026 0.000 1.087 337 D HN 0.734 nan 8.370 nan 0.000 0.485 338 T N 0.922 115.480 114.554 0.007 0.000 3.122 338 T HA 0.283 4.634 4.350 0.002 0.000 0.250 338 T C 1.718 176.393 174.700 -0.041 0.000 1.067 338 T CA 0.191 62.276 62.100 -0.025 0.000 0.966 338 T CB 0.222 69.073 68.868 -0.028 0.000 1.002 338 T HN 0.281 nan 8.240 nan 0.000 0.542 339 A N 1.740 124.546 122.820 -0.023 0.000 1.986 339 A HA 0.168 4.489 4.320 0.002 0.000 0.220 339 A C 2.437 180.001 177.584 -0.033 0.000 1.171 339 A CA 1.515 53.538 52.037 -0.023 0.000 0.640 339 A CB -1.286 17.708 19.000 -0.011 0.000 0.811 339 A HN 0.632 nan 8.150 nan 0.000 0.451 340 G N -1.495 107.283 108.800 -0.038 0.000 3.042 340 G HA2 0.365 4.326 3.960 0.002 0.000 0.212 340 G HA3 0.365 4.326 3.960 0.002 0.000 0.212 340 G C 0.422 175.274 174.900 -0.080 0.000 1.166 340 G CA -0.303 44.771 45.100 -0.043 0.000 0.767 340 G HN 0.376 nan 8.290 nan 0.000 0.546 341 L N 1.611 122.762 121.223 -0.120 0.000 2.290 341 L HA 0.389 4.729 4.340 0.002 0.000 0.284 341 L C -0.581 176.212 176.870 -0.128 0.000 1.078 341 L CA -0.526 54.202 54.840 -0.185 0.000 0.815 341 L CB 1.973 43.860 42.059 -0.286 0.000 1.162 341 L HN -0.194 nan 8.230 nan 0.000 0.435 342 V N 5.582 125.426 119.914 -0.117 0.000 2.378 342 V HA 0.327 4.448 4.120 0.002 0.000 0.288 342 V C -0.280 175.761 176.094 -0.089 0.000 1.016 342 V CA -0.526 61.723 62.300 -0.085 0.000 0.840 342 V CB 1.720 33.507 31.823 -0.060 0.000 0.994 342 V HN 0.422 nan 8.190 nan 0.000 0.431 343 L N 4.671 125.848 121.223 -0.077 0.000 2.276 343 L HA 0.518 4.859 4.340 0.002 0.000 0.286 343 L C 0.800 177.638 176.870 -0.054 0.000 1.024 343 L CA 0.272 55.075 54.840 -0.060 0.000 0.826 343 L CB 0.946 42.977 42.059 -0.047 0.000 1.211 343 L HN 0.523 nan 8.230 nan 0.000 0.422 344 N N 0.704 119.367 118.700 -0.061 0.000 2.397 344 N HA 0.048 4.789 4.740 0.002 0.000 0.190 344 N C -0.444 174.949 175.510 -0.194 0.000 1.099 344 N CA 0.342 53.322 53.050 -0.117 0.000 0.876 344 N CB 0.721 39.139 38.487 -0.114 0.000 1.143 344 N HN 0.802 nan 8.380 nan 0.000 0.468 345 D N -3.405 116.946 120.400 -0.082 0.000 2.768 345 D HA 0.319 4.960 4.640 0.002 0.000 0.327 345 D C 0.609 176.998 176.300 0.148 0.000 1.302 345 D CA -0.552 53.419 54.000 -0.048 0.000 0.897 345 D CB 0.371 41.145 40.800 -0.044 0.000 1.420 345 D HN -0.096 nan 8.370 nan 0.000 0.494 346 G N -1.292 107.671 108.800 0.271 0.000 2.784 346 G HA2 0.069 4.030 3.960 0.002 0.000 0.208 346 G HA3 0.069 4.030 3.960 0.002 0.000 0.208 346 G C 1.087 176.162 174.900 0.293 0.000 1.120 346 G CA 0.707 45.970 45.100 0.272 0.000 0.774 346 G HN 0.554 nan 8.290 nan 0.000 0.528 347 S N -0.574 115.310 115.700 0.307 0.000 2.425 347 S HA 0.336 4.807 4.470 0.002 0.000 0.225 347 S C 2.017 176.715 174.600 0.164 0.000 1.024 347 S CA 1.295 59.655 58.200 0.266 0.000 0.951 347 S CB -0.047 63.313 63.200 0.267 0.000 0.796 347 S HN 1.421 nan 8.310 nan 0.000 0.498 348 G N 0.985 109.872 108.800 0.145 0.000 2.194 348 G HA2 -0.232 3.729 3.960 0.002 0.000 0.236 348 G HA3 -0.232 3.729 3.960 0.002 0.000 0.236 348 G C 0.597 175.497 174.900 0.000 0.000 0.987 348 G CA 0.269 45.411 45.100 0.070 0.000 0.635 348 G HN 0.438 nan 8.290 nan 0.000 0.520 349 L N 1.145 122.356 121.223 -0.019 0.000 2.042 349 L HA 0.060 4.401 4.340 0.002 0.000 0.210 349 L C 1.931 178.699 176.870 -0.171 0.000 1.076 349 L CA 1.917 56.637 54.840 -0.200 0.000 0.749 349 L CB -0.575 41.187 42.059 -0.496 0.000 0.893 349 L HN 0.471 nan 8.230 nan 0.000 0.432 350 S N -0.275 115.478 115.700 0.089 0.000 2.560 350 S HA -0.008 4.463 4.470 0.002 0.000 0.284 350 S C 1.072 175.640 174.600 -0.053 0.000 1.327 350 S CA -0.210 58.049 58.200 0.099 0.000 1.055 350 S CB 0.641 63.919 63.200 0.130 0.000 0.868 350 S HN 0.294 nan 8.310 nan 0.000 0.506 351 R N 2.971 123.409 120.500 -0.103 0.000 2.320 351 R HA 0.124 4.465 4.340 0.002 0.000 0.211 351 R C 1.852 178.130 176.300 -0.037 0.000 0.931 351 R CA 0.486 56.534 56.100 -0.087 0.000 1.071 351 R CB -0.192 30.045 30.300 -0.105 0.000 1.025 351 R HN 0.753 nan 8.270 nan 0.000 0.495 352 G N 0.070 108.849 108.800 -0.035 0.000 2.880 352 G HA2 -0.065 3.896 3.960 0.002 0.000 0.209 352 G HA3 -0.065 3.896 3.960 0.002 0.000 0.209 352 G C 0.303 175.180 174.900 -0.039 0.000 1.157 352 G CA -0.264 44.814 45.100 -0.038 0.000 0.779 352 G HN 0.149 nan 8.290 nan 0.000 0.539 353 N N 0.606 119.287 118.700 -0.031 0.000 2.514 353 N HA 0.407 5.148 4.740 0.002 0.000 0.277 353 N C -0.710 174.782 175.510 -0.030 0.000 1.126 353 N CA 0.175 53.207 53.050 -0.030 0.000 0.978 353 N CB 1.908 40.390 38.487 -0.008 0.000 1.106 353 N HN 0.035 nan 8.380 nan 0.000 0.461 354 L N 1.361 122.556 121.223 -0.047 0.000 2.381 354 L HA 0.612 4.953 4.340 0.002 0.000 0.268 354 L C 0.144 176.972 176.870 -0.070 0.000 0.997 354 L CA -1.007 53.808 54.840 -0.042 0.000 0.818 354 L CB 1.988 44.025 42.059 -0.037 0.000 1.310 354 L HN 0.254 nan 8.230 nan 0.000 0.416 355 V N -0.910 118.983 119.914 -0.034 0.000 3.156 355 V HA 0.913 5.034 4.120 0.002 0.000 0.311 355 V C -0.428 175.673 176.094 0.012 0.000 1.208 355 V CA -0.467 61.814 62.300 -0.032 0.000 1.063 355 V CB 2.170 34.030 31.823 0.062 0.000 1.098 355 V HN 0.838 nan 8.190 nan 0.000 0.452 356 T N -2.126 112.452 114.554 0.040 0.000 2.906 356 T HA 0.769 5.120 4.350 0.002 0.000 0.295 356 T C 0.857 175.610 174.700 0.089 0.000 1.061 356 T CA -0.026 62.105 62.100 0.052 0.000 1.000 356 T CB 1.652 70.542 68.868 0.036 0.000 1.103 356 T HN 1.767 nan 8.240 nan 0.000 0.486 357 A N 1.484 124.351 122.820 0.078 0.000 1.933 357 A HA -0.047 4.274 4.320 0.002 0.000 0.218 357 A C 1.914 179.548 177.584 0.083 0.000 1.175 357 A CA 1.769 53.855 52.037 0.083 0.000 0.628 357 A CB -1.013 18.035 19.000 0.080 0.000 0.814 357 A HN 0.906 nan 8.150 nan 0.000 0.444 358 D N -0.441 120.003 120.400 0.073 0.000 2.123 358 D HA -0.106 4.535 4.640 0.002 0.000 0.196 358 D C 2.016 178.371 176.300 0.091 0.000 0.992 358 D CA 1.917 55.958 54.000 0.068 0.000 0.833 358 D CB -0.599 40.231 40.800 0.050 0.000 0.954 358 D HN 0.417 nan 8.370 nan 0.000 0.455 359 T N 0.393 115.016 114.554 0.115 0.000 2.788 359 T HA -0.084 4.267 4.350 0.002 0.000 0.268 359 T C 2.235 177.114 174.700 0.298 0.000 1.044 359 T CA 0.713 62.919 62.100 0.177 0.000 1.139 359 T CB -0.221 68.723 68.868 0.126 0.000 0.867 359 T HN -0.016 nan 8.240 nan 0.000 0.454 360 V N 1.102 121.177 119.914 0.268 0.000 2.307 360 V HA -0.122 3.999 4.120 0.002 0.000 0.245 360 V C 2.675 178.782 176.094 0.022 0.000 1.045 360 V CA 1.207 63.590 62.300 0.139 0.000 1.024 360 V CB -0.749 31.113 31.823 0.066 0.000 0.651 360 V HN 0.295 nan 8.190 nan 0.000 0.449 361 V N 0.420 120.354 119.914 0.033 0.000 2.392 361 V HA -0.288 3.833 4.120 0.002 0.000 0.249 361 V C 2.442 178.562 176.094 0.044 0.000 1.059 361 V CA 2.293 64.602 62.300 0.015 0.000 1.051 361 V CB -0.691 31.155 31.823 0.039 0.000 0.658 361 V HN 0.606 nan 8.190 nan 0.000 0.455 362 D N 0.049 120.491 120.400 0.071 0.000 2.106 362 D HA -0.200 4.441 4.640 0.002 0.000 0.191 362 D C 2.066 178.409 176.300 0.071 0.000 0.997 362 D CA 1.717 55.762 54.000 0.075 0.000 0.834 362 D CB -0.215 40.641 40.800 0.093 0.000 0.956 362 D HN 0.312 nan 8.370 nan 0.000 0.448 363 L N 0.682 121.956 121.223 0.085 0.000 1.989 363 L HA -0.147 4.194 4.340 0.002 0.000 0.211 363 L C 2.513 179.404 176.870 0.034 0.000 1.071 363 L CA 1.505 56.368 54.840 0.039 0.000 0.749 363 L CB -0.791 41.243 42.059 -0.041 0.000 0.890 363 L HN 0.134 nan 8.230 nan 0.000 0.431 364 L N -0.709 120.550 121.223 0.059 0.000 2.043 364 L HA -0.212 4.129 4.340 0.002 0.000 0.212 364 L C 2.481 179.519 176.870 0.280 0.000 1.075 364 L CA 1.495 56.430 54.840 0.159 0.000 0.752 364 L CB -1.469 40.506 42.059 -0.140 0.000 0.891 364 L HN 0.517 nan 8.230 nan 0.000 0.432 365 G N -1.492 107.398 108.800 0.151 0.000 2.404 365 G HA2 -0.208 3.753 3.960 0.002 0.000 0.214 365 G HA3 -0.208 3.753 3.960 0.002 0.000 0.214 365 G C 1.483 176.403 174.900 0.033 0.000 1.189 365 G CA 0.067 45.238 45.100 0.119 0.000 0.789 365 G HN 0.210 nan 8.290 nan 0.000 0.533 366 Q N 0.668 120.468 119.800 -0.000 0.000 2.135 366 Q HA -0.041 4.300 4.340 0.002 0.000 0.204 366 Q C 2.888 178.783 176.000 -0.176 0.000 0.981 366 Q CA 1.532 57.297 55.803 -0.064 0.000 0.856 366 Q CB -0.783 27.937 28.738 -0.030 0.000 0.902 366 Q HN 0.447 nan 8.270 nan 0.000 0.425 367 A N 0.211 122.911 122.820 -0.201 0.000 1.898 367 A HA -0.014 4.307 4.320 0.002 0.000 0.216 367 A C 2.254 179.565 177.584 -0.455 0.000 1.181 367 A CA 1.472 53.228 52.037 -0.468 0.000 0.620 367 A CB -0.967 17.602 19.000 -0.718 0.000 0.819 367 A HN 0.435 nan 8.150 nan 0.000 0.442 368 G N -0.319 108.396 108.800 -0.142 0.000 2.615 368 G HA2 0.044 4.005 3.960 0.002 0.000 0.213 368 G HA3 0.044 4.005 3.960 0.002 0.000 0.213 368 G C 0.770 175.569 174.900 -0.170 0.000 1.135 368 G CA 1.318 46.356 45.100 -0.102 0.000 0.772 368 G HN 1.097 nan 8.290 nan 0.000 0.542 369 S N -1.581 113.970 115.700 -0.247 0.000 2.569 369 S HA 0.745 5.216 4.470 0.002 0.000 0.215 369 S C -0.067 174.323 174.600 -0.350 0.000 1.096 369 S CA -0.079 57.979 58.200 -0.236 0.000 1.183 369 S CB 0.733 63.848 63.200 -0.141 0.000 1.324 369 S HN 0.593 nan 8.310 nan 0.000 0.421 370 A N 2.278 124.746 122.820 -0.588 0.000 2.346 370 A HA 0.944 5.264 4.320 0.002 0.000 0.313 370 A C -1.784 175.387 177.584 -0.687 0.000 1.140 370 A CA -2.023 49.529 52.037 -0.807 0.000 0.826 370 A CB 0.696 18.752 19.000 -1.573 0.000 1.332 370 A HN 0.260 nan 8.150 nan 0.000 0.457 371 P HA -0.112 nan 4.420 nan 0.000 0.220 371 P C 0.773 178.005 177.300 -0.114 0.000 1.148 371 P CA 1.324 64.280 63.100 -0.240 0.000 0.803 371 P CB -0.078 31.561 31.700 -0.102 0.000 0.782 372 W N -1.587 119.713 121.300 -0.001 0.000 3.330 372 W HA 0.626 5.287 4.660 0.002 0.000 0.348 372 W C 1.156 177.714 176.519 0.064 0.000 1.205 372 W CA -0.045 57.322 57.345 0.037 0.000 1.841 372 W CB -1.148 28.342 29.460 0.051 0.000 1.084 372 W HN -0.130 nan 8.180 nan 0.000 0.665 373 A N 2.141 124.983 122.820 0.037 0.000 1.903 373 A HA -0.385 3.936 4.320 0.002 0.000 0.219 373 A C 2.112 179.864 177.584 0.279 0.000 1.191 373 A CA 2.789 54.885 52.037 0.098 0.000 0.638 373 A CB -0.888 18.051 19.000 -0.102 0.000 0.823 373 A HN 0.380 nan 8.150 nan 0.000 0.451 374 Q N -1.140 118.773 119.800 0.188 0.000 2.123 374 Q HA -0.100 4.241 4.340 0.002 0.000 0.199 374 Q C 2.088 178.209 176.000 0.202 0.000 0.966 374 Q CA 2.344 58.242 55.803 0.157 0.000 0.845 374 Q CB -0.747 28.047 28.738 0.095 0.000 0.907 374 Q HN 0.561 nan 8.270 nan 0.000 0.439 375 T N -0.201 114.508 114.554 0.258 0.000 2.915 375 T HA -0.126 4.225 4.350 0.002 0.000 0.269 375 T C 1.181 176.053 174.700 0.286 0.000 1.071 375 T CA 1.234 63.477 62.100 0.239 0.000 1.132 375 T CB -0.440 68.565 68.868 0.228 0.000 0.878 375 T HN 0.617 nan 8.240 nan 0.000 0.479 376 W N 1.198 122.616 121.300 0.196 0.000 2.380 376 W HA -0.093 4.568 4.660 0.002 0.000 0.317 376 W C 2.153 178.753 176.519 0.134 0.000 1.196 376 W CA 1.237 58.692 57.345 0.183 0.000 1.307 376 W CB -0.815 28.877 29.460 0.388 0.000 1.157 376 W HN 0.238 nan 8.180 nan 0.000 0.483 377 S N 1.481 117.300 115.700 0.197 0.000 2.365 377 S HA -0.219 4.252 4.470 0.002 0.000 0.225 377 S C 2.151 176.727 174.600 -0.040 0.000 1.039 377 S CA 2.157 60.356 58.200 -0.001 0.000 1.033 377 S CB -0.993 62.219 63.200 0.021 0.000 0.887 377 S HN 0.415 nan 8.310 nan 0.000 0.447 378 A N 1.522 124.356 122.820 0.024 0.000 2.024 378 A HA -0.126 4.195 4.320 0.002 0.000 0.220 378 A C 2.306 179.875 177.584 -0.026 0.000 1.164 378 A CA 1.963 54.010 52.037 0.016 0.000 0.643 378 A CB -0.821 18.215 19.000 0.059 0.000 0.806 378 A HN 0.647 nan 8.150 nan 0.000 0.451 379 S N -0.653 115.009 115.700 -0.063 0.000 2.453 379 S HA 0.158 4.629 4.470 0.002 0.000 0.231 379 S C 0.714 175.182 174.600 -0.220 0.000 1.005 379 S CA -0.066 58.066 58.200 -0.113 0.000 0.949 379 S CB -0.626 62.514 63.200 -0.100 0.000 0.774 379 S HN 0.399 nan 8.310 nan 0.000 0.510 380 L N 2.227 123.298 121.223 -0.253 0.000 2.426 380 L HA 0.363 4.704 4.340 0.002 0.000 0.271 380 L C -2.417 174.327 176.870 -0.210 0.000 1.169 380 L CA -2.309 52.363 54.840 -0.280 0.000 0.836 380 L CB -0.079 41.817 42.059 -0.272 0.000 1.112 380 L HN -0.008 nan 8.230 nan 0.000 0.465 381 P HA -0.036 nan 4.420 nan 0.000 0.265 381 P C -0.823 176.410 177.300 -0.112 0.000 1.187 381 P CA 0.056 63.046 63.100 -0.183 0.000 0.766 381 P CB 0.482 32.072 31.700 -0.183 0.000 0.820 382 V N 3.191 123.053 119.914 -0.085 0.000 2.347 382 V HA 0.430 4.551 4.120 0.002 0.000 0.280 382 V C 0.589 176.658 176.094 -0.041 0.000 1.021 382 V CA -1.089 61.182 62.300 -0.048 0.000 0.847 382 V CB 0.820 32.623 31.823 -0.034 0.000 0.990 382 V HN 0.680 nan 8.190 nan 0.000 0.444 383 A N 4.022 126.823 122.820 -0.030 0.000 2.580 383 A HA 0.422 4.743 4.320 0.002 0.000 0.244 383 A C 1.491 179.059 177.584 -0.028 0.000 1.045 383 A CA 0.814 52.834 52.037 -0.028 0.000 0.761 383 A CB -0.674 18.311 19.000 -0.024 0.000 0.962 383 A HN 2.327 nan 8.150 nan 0.000 0.512 384 G N 2.051 110.836 108.800 -0.024 0.000 2.295 384 G HA2 -0.171 3.790 3.960 0.002 0.000 0.287 384 G HA3 -0.171 3.790 3.960 0.002 0.000 0.287 384 G C -0.184 174.710 174.900 -0.010 0.000 1.055 384 G CA 0.416 45.506 45.100 -0.017 0.000 0.922 384 G HN 0.855 nan 8.290 nan 0.000 0.503 385 E N 0.191 120.387 120.200 -0.008 0.000 2.145 385 E HA 0.366 4.717 4.350 0.002 0.000 0.262 385 E C 1.401 178.011 176.600 0.016 0.000 0.883 385 E CA 0.151 56.553 56.400 0.003 0.000 0.748 385 E CB 1.314 31.014 29.700 0.001 0.000 1.140 385 E HN 0.399 nan 8.360 nan 0.000 0.417 386 S N 1.608 117.322 115.700 0.024 0.000 2.399 386 S HA -0.160 4.311 4.470 0.002 0.000 0.231 386 S C 0.828 175.465 174.600 0.061 0.000 1.022 386 S CA 0.533 58.755 58.200 0.036 0.000 0.983 386 S CB 0.005 63.223 63.200 0.031 0.000 0.803 386 S HN 0.403 nan 8.310 nan 0.000 0.480 387 D N 3.655 124.097 120.400 0.070 0.000 2.389 387 D HA 0.165 4.806 4.640 0.002 0.000 0.263 387 D C -1.673 174.714 176.300 0.146 0.000 1.255 387 D CA -1.947 52.121 54.000 0.114 0.000 0.914 387 D CB 1.220 42.087 40.800 0.111 0.000 1.116 387 D HN 0.089 nan 8.370 nan 0.000 0.502 388 P HA -0.110 nan 4.420 nan 0.000 0.219 388 P C 0.977 178.386 177.300 0.183 0.000 1.146 388 P CA 0.859 64.115 63.100 0.260 0.000 0.808 388 P CB 0.023 31.942 31.700 0.365 0.000 0.779 389 F N -1.846 118.202 119.950 0.162 0.000 2.780 389 F HA -0.028 4.500 4.527 0.002 0.000 0.299 389 F C 1.952 177.726 175.800 -0.043 0.000 1.146 389 F CA 0.635 58.679 58.000 0.073 0.000 1.428 389 F CB -0.246 38.841 39.000 0.145 0.000 1.115 389 F HN -0.238 nan 8.300 nan 0.000 0.583 390 V N -1.601 118.372 119.914 0.098 0.000 2.599 390 V HA 0.130 4.251 4.120 0.002 0.000 0.237 390 V C 2.461 178.522 176.094 -0.055 0.000 1.081 390 V CA 1.398 63.712 62.300 0.024 0.000 1.107 390 V CB -0.955 30.896 31.823 0.048 0.000 0.808 390 V HN 0.241 nan 8.190 nan 0.000 0.486 391 G N -0.642 108.133 108.800 -0.041 0.000 2.403 391 G HA2 0.304 4.265 3.960 0.002 0.000 0.216 391 G HA3 0.304 4.265 3.960 0.002 0.000 0.216 391 G C 1.122 175.941 174.900 -0.135 0.000 1.154 391 G CA 1.180 46.240 45.100 -0.066 0.000 0.784 391 G HN 0.939 nan 8.290 nan 0.000 0.538 392 G N -0.179 108.498 108.800 -0.206 0.000 2.574 392 G HA2 -0.310 3.651 3.960 0.002 0.000 0.286 392 G HA3 -0.310 3.651 3.960 0.002 0.000 0.286 392 G C 1.347 176.175 174.900 -0.120 0.000 1.212 392 G CA 1.887 46.772 45.100 -0.358 0.000 0.979 392 G HN 1.264 nan 8.290 nan 0.000 0.557 393 T N -1.323 113.155 114.554 -0.127 0.000 3.155 393 T HA 0.243 4.594 4.350 0.002 0.000 0.264 393 T C 1.795 176.460 174.700 -0.058 0.000 1.160 393 T CA 1.865 63.931 62.100 -0.056 0.000 1.075 393 T CB 0.093 68.919 68.868 -0.070 0.000 0.921 393 T HN 0.695 nan 8.240 nan 0.000 0.533 394 L N -0.228 120.952 121.223 -0.072 0.000 2.766 394 L HA 0.640 4.981 4.340 0.002 0.000 0.242 394 L C 2.289 179.137 176.870 -0.036 0.000 1.136 394 L CA 0.089 54.897 54.840 -0.054 0.000 0.933 394 L CB -0.363 41.657 42.059 -0.064 0.000 1.241 394 L HN 0.285 nan 8.230 nan 0.000 0.522 395 A N 0.007 122.811 122.820 -0.026 0.000 1.948 395 A HA -0.192 4.129 4.320 0.002 0.000 0.220 395 A C 1.702 179.284 177.584 -0.003 0.000 1.177 395 A CA 1.948 53.982 52.037 -0.006 0.000 0.636 395 A CB -0.349 18.663 19.000 0.020 0.000 0.815 395 A HN 0.505 nan 8.150 nan 0.000 0.449 396 N N -0.621 118.076 118.700 -0.005 0.000 2.270 396 N HA 0.132 4.873 4.740 0.002 0.000 0.198 396 N C -0.010 175.492 175.510 -0.013 0.000 1.117 396 N CA 0.173 53.220 53.050 -0.006 0.000 0.845 396 N CB 0.307 38.792 38.487 -0.003 0.000 0.980 396 N HN 0.458 nan 8.380 nan 0.000 0.486 397 R N -0.236 120.252 120.500 -0.019 0.000 2.711 397 R HA 0.406 4.747 4.340 0.002 0.000 0.284 397 R C 0.481 176.766 176.300 -0.025 0.000 0.968 397 R CA -0.568 55.518 56.100 -0.024 0.000 0.924 397 R CB 1.388 31.671 30.300 -0.028 0.000 1.162 397 R HN -0.034 nan 8.270 nan 0.000 0.465 398 M N 0.399 119.982 119.600 -0.028 0.000 2.818 398 M HA -0.281 4.200 4.480 0.002 0.000 0.194 398 M C -0.458 175.827 176.300 -0.025 0.000 0.586 398 M CA 1.065 56.346 55.300 -0.030 0.000 0.664 398 M CB -1.173 31.405 32.600 -0.037 0.000 2.418 398 M HN 0.534 nan 8.290 nan 0.000 0.517 399 R N 0.603 121.091 120.500 -0.019 0.000 2.590 399 R HA 0.315 4.656 4.340 0.002 0.000 0.274 399 R C 1.398 177.691 176.300 -0.013 0.000 1.061 399 R CA 0.958 57.050 56.100 -0.014 0.000 1.081 399 R CB 0.317 30.612 30.300 -0.009 0.000 0.984 399 R HN 0.526 nan 8.270 nan 0.000 0.448 400 G N 1.533 110.327 108.800 -0.010 0.000 2.168 400 G HA2 -0.305 3.656 3.960 0.002 0.000 0.257 400 G HA3 -0.305 3.656 3.960 0.002 0.000 0.257 400 G C 0.216 175.111 174.900 -0.009 0.000 0.997 400 G CA 0.803 45.899 45.100 -0.007 0.000 0.708 400 G HN 0.752 nan 8.290 nan 0.000 0.520 401 T N -4.401 110.145 114.554 -0.013 0.000 2.927 401 T HA 0.814 5.165 4.350 0.002 0.000 0.286 401 T C 1.482 176.175 174.700 -0.012 0.000 1.040 401 T CA 0.282 62.374 62.100 -0.014 0.000 1.010 401 T CB 1.706 70.559 68.868 -0.024 0.000 1.177 401 T HN 1.291 nan 8.240 nan 0.000 0.546 402 A N 0.090 122.908 122.820 -0.003 0.000 2.067 402 A HA 0.333 4.654 4.320 0.002 0.000 0.219 402 A C 2.404 179.964 177.584 -0.041 0.000 1.158 402 A CA 1.428 53.472 52.037 0.012 0.000 0.661 402 A CB -1.384 17.651 19.000 0.059 0.000 0.801 402 A HN 1.232 nan 8.150 nan 0.000 0.452 403 A N -0.260 122.529 122.820 -0.051 0.000 2.119 403 A HA -0.007 4.314 4.320 0.002 0.000 0.217 403 A C 1.128 178.665 177.584 -0.079 0.000 1.153 403 A CA 0.635 52.626 52.037 -0.076 0.000 0.692 403 A CB -0.348 18.614 19.000 -0.064 0.000 0.799 403 A HN 0.613 nan 8.150 nan 0.000 0.458 404 E N -0.124 120.041 120.200 -0.059 0.000 2.406 404 E HA 0.292 4.643 4.350 0.002 0.000 0.258 404 E C 1.111 177.677 176.600 -0.057 0.000 1.043 404 E CA 0.524 56.896 56.400 -0.046 0.000 0.929 404 E CB -0.216 29.467 29.700 -0.027 0.000 0.969 404 E HN 0.652 nan 8.360 nan 0.000 0.462 405 G N 2.711 111.481 108.800 -0.049 0.000 2.179 405 G HA2 -0.284 3.677 3.960 0.002 0.000 0.260 405 G HA3 -0.284 3.677 3.960 0.002 0.000 0.260 405 G C 0.612 175.469 174.900 -0.072 0.000 0.977 405 G CA 0.328 45.400 45.100 -0.046 0.000 0.641 405 G HN 0.485 nan 8.290 nan 0.000 0.533 406 V N -0.320 119.526 119.914 -0.113 0.000 2.840 406 V HA 0.264 4.385 4.120 0.002 0.000 0.234 406 V C 1.722 177.779 176.094 -0.063 0.000 1.159 406 V CA 0.785 62.983 62.300 -0.170 0.000 1.194 406 V CB 0.211 31.761 31.823 -0.454 0.000 0.971 406 V HN 0.204 nan 8.190 nan 0.000 0.494 407 V N 2.561 122.455 119.914 -0.034 0.000 2.485 407 V HA 0.090 4.211 4.120 0.002 0.000 0.287 407 V C -0.029 176.106 176.094 0.068 0.000 1.022 407 V CA 0.303 62.640 62.300 0.063 0.000 1.067 407 V CB 0.149 32.010 31.823 0.063 0.000 0.967 407 V HN 0.545 nan 8.190 nan 0.000 0.479 408 E N 3.992 124.260 120.200 0.112 0.000 2.145 408 E HA 0.761 5.112 4.350 0.002 0.000 0.270 408 E C -0.364 176.232 176.600 -0.006 0.000 0.906 408 E CA -0.406 56.025 56.400 0.050 0.000 0.761 408 E CB 1.913 31.665 29.700 0.085 0.000 1.116 408 E HN 0.819 nan 8.360 nan 0.000 0.408 409 A N 2.850 125.616 122.820 -0.090 0.000 2.566 409 A HA 0.506 4.827 4.320 0.002 0.000 0.297 409 A C -1.358 176.099 177.584 -0.211 0.000 1.059 409 A CA -0.898 51.030 52.037 -0.181 0.000 0.691 409 A CB 1.491 20.472 19.000 -0.032 0.000 1.282 409 A HN 0.370 nan 8.150 nan 0.000 0.401 410 K N 1.167 121.400 120.400 -0.278 0.000 2.205 410 K HA 0.640 4.961 4.320 0.002 0.000 0.279 410 K C 0.458 176.953 176.600 -0.175 0.000 1.027 410 K CA 0.470 56.605 56.287 -0.253 0.000 0.932 410 K CB 0.771 33.090 32.500 -0.302 0.000 1.032 410 K HN 0.890 nan 8.250 nan 0.000 0.466 411 T N -0.296 114.171 114.554 -0.146 0.000 2.923 411 T HA 0.853 5.204 4.350 0.002 0.000 0.281 411 T C 0.098 174.743 174.700 -0.091 0.000 0.995 411 T CA -0.826 61.214 62.100 -0.099 0.000 0.985 411 T CB 1.685 70.499 68.868 -0.090 0.000 1.114 411 T HN 0.543 nan 8.240 nan 0.000 0.548 412 G N -0.113 108.646 108.800 -0.068 0.000 2.682 412 G HA2 0.512 4.473 3.960 0.002 0.000 0.300 412 G HA3 0.512 4.473 3.960 0.002 0.000 0.300 412 G C -1.218 173.652 174.900 -0.050 0.000 1.396 412 G CA -0.701 44.362 45.100 -0.062 0.000 1.104 412 G HN 0.824 nan 8.290 nan 0.000 0.587 413 T N 2.563 117.076 114.554 -0.068 0.000 3.109 413 T HA 0.649 5.000 4.350 0.002 0.000 0.311 413 T C -0.032 174.615 174.700 -0.090 0.000 1.011 413 T CA -0.394 61.674 62.100 -0.054 0.000 1.026 413 T CB 1.283 70.122 68.868 -0.048 0.000 1.047 413 T HN 0.575 nan 8.240 nan 0.000 0.448 414 M N 1.117 120.680 119.600 -0.063 0.000 2.846 414 M HA 0.526 5.007 4.480 0.002 0.000 0.282 414 M C 0.139 176.430 176.300 -0.015 0.000 1.266 414 M CA -1.142 54.108 55.300 -0.083 0.000 0.766 414 M CB 1.977 34.496 32.600 -0.136 0.000 1.739 414 M HN 0.599 nan 8.290 nan 0.000 0.442 415 S N 0.027 115.733 115.700 0.010 0.000 2.537 415 S HA 0.380 4.850 4.470 0.002 0.000 0.286 415 S C 1.000 175.581 174.600 -0.030 0.000 1.299 415 S CA 0.257 58.473 58.200 0.027 0.000 1.067 415 S CB 0.150 63.400 63.200 0.082 0.000 0.864 415 S HN 1.173 nan 8.310 nan 0.000 0.494 416 G N 1.443 110.157 108.800 -0.142 0.000 2.166 416 G HA2 -0.206 3.755 3.960 0.002 0.000 0.260 416 G HA3 -0.206 3.755 3.960 0.002 0.000 0.260 416 G C 0.003 174.733 174.900 -0.283 0.000 0.986 416 G CA 0.196 45.054 45.100 -0.402 0.000 0.683 416 G HN 1.449 nan 8.290 nan 0.000 0.527 417 V N -0.702 119.217 119.914 0.007 0.000 2.808 417 V HA 0.860 4.981 4.120 0.002 0.000 0.308 417 V C -0.127 176.080 176.094 0.188 0.000 1.099 417 V CA -0.152 62.224 62.300 0.127 0.000 0.920 417 V CB 2.093 33.929 31.823 0.022 0.000 1.014 417 V HN 0.641 nan 8.190 nan 0.000 0.425 418 S N 1.828 117.628 115.700 0.166 0.000 2.535 418 S HA 0.904 5.375 4.470 0.002 0.000 0.272 418 S C -1.040 173.572 174.600 0.020 0.000 1.149 418 S CA 0.224 58.453 58.200 0.048 0.000 0.888 418 S CB 1.801 64.983 63.200 -0.029 0.000 1.110 418 S HN 1.513 nan 8.310 nan 0.000 0.463 419 A N 2.346 125.164 122.820 -0.002 0.000 2.549 419 A HA 0.885 5.206 4.320 0.002 0.000 0.297 419 A C -1.961 175.618 177.584 -0.009 0.000 1.061 419 A CA -0.552 51.486 52.037 0.002 0.000 0.690 419 A CB 1.693 20.695 19.000 0.003 0.000 1.287 419 A HN 0.947 nan 8.150 nan 0.000 0.402 420 L N 1.321 122.557 121.223 0.022 0.000 2.491 420 L HA 0.711 5.052 4.340 0.002 0.000 0.267 420 L C -0.926 175.955 176.870 0.018 0.000 0.971 420 L CA 0.356 55.224 54.840 0.047 0.000 0.857 420 L CB 1.894 44.032 42.059 0.132 0.000 1.226 420 L HN 0.616 nan 8.230 nan 0.000 0.408 421 S N 2.703 118.254 115.700 -0.247 0.000 2.536 421 S HA 1.024 5.495 4.470 0.002 0.000 0.287 421 S C -0.085 173.999 174.600 -0.860 0.000 1.101 421 S CA -0.103 57.720 58.200 -0.628 0.000 0.950 421 S CB 1.859 64.829 63.200 -0.384 0.000 1.056 421 S HN 1.081 nan 8.310 nan 0.000 0.481 422 G N 1.147 109.072 108.800 -1.459 0.000 2.441 422 G HA2 0.429 4.390 3.960 0.002 0.000 0.225 422 G HA3 0.429 4.390 3.960 0.002 0.000 0.225 422 G C -2.430 171.856 174.900 -1.023 0.000 1.200 422 G CA -0.568 43.883 45.100 -1.082 0.000 0.947 422 G HN 0.497 nan 8.290 nan 0.000 0.484 423 Y N -0.921 119.314 120.300 -0.109 0.000 2.485 423 Y HA 0.633 5.184 4.550 0.002 0.000 0.345 423 Y C -0.024 176.023 175.900 0.245 0.000 0.998 423 Y CA -0.925 57.240 58.100 0.109 0.000 1.059 423 Y CB 2.727 41.230 38.460 0.071 0.000 1.234 423 Y HN 0.285 nan 8.280 nan 0.000 0.461 424 V N 4.479 124.645 119.914 0.419 0.000 2.266 424 V HA 0.340 4.461 4.120 0.002 0.000 0.271 424 V C -2.456 173.787 176.094 0.249 0.000 1.032 424 V CA -2.122 60.346 62.300 0.280 0.000 0.806 424 V CB 0.589 32.544 31.823 0.219 0.000 1.052 424 V HN 0.534 nan 8.190 nan 0.000 0.449 425 P HA 0.513 nan 4.420 nan 0.000 0.272 425 P C 0.259 177.739 177.300 0.300 0.000 1.223 425 P CA 0.293 63.502 63.100 0.183 0.000 0.784 425 P CB 1.066 32.835 31.700 0.116 0.000 0.923 426 G N 1.126 110.063 108.800 0.228 0.000 2.489 426 G HA2 0.362 4.323 3.960 0.002 0.000 0.291 426 G HA3 0.362 4.323 3.960 0.002 0.000 0.291 426 G C -2.619 172.311 174.900 0.049 0.000 1.487 426 G CA -0.790 44.418 45.100 0.179 0.000 0.795 426 G HN 0.115 nan 8.290 nan 0.000 0.513 427 P HA -0.014 nan 4.420 nan 0.000 0.217 427 P C 1.613 178.901 177.300 -0.021 0.000 1.150 427 P CA 1.389 64.470 63.100 -0.033 0.000 0.832 427 P CB 0.294 31.949 31.700 -0.075 0.000 0.787 428 E N -0.177 120.004 120.200 -0.031 0.000 2.046 428 E HA 0.104 4.455 4.350 0.002 0.000 0.190 428 E C 1.106 177.718 176.600 0.020 0.000 0.982 428 E CA 1.242 57.631 56.400 -0.018 0.000 0.800 428 E CB -0.560 29.113 29.700 -0.044 0.000 0.756 428 E HN 0.251 nan 8.360 nan 0.000 0.449 429 G N 1.121 109.951 108.800 0.049 0.000 2.378 429 G HA2 0.105 4.066 3.960 0.002 0.000 0.302 429 G HA3 0.105 4.066 3.960 0.002 0.000 0.302 429 G C -1.722 173.246 174.900 0.112 0.000 1.669 429 G CA -0.675 44.469 45.100 0.073 0.000 0.920 429 G HN 0.072 nan 8.290 nan 0.000 0.697 430 E N 0.283 120.550 120.200 0.112 0.000 2.373 430 E HA 0.443 4.794 4.350 0.002 0.000 0.267 430 E C -0.423 176.294 176.600 0.195 0.000 1.032 430 E CA -0.505 55.986 56.400 0.151 0.000 0.889 430 E CB 0.564 30.331 29.700 0.111 0.000 0.984 430 E HN 0.245 nan 8.360 nan 0.000 0.425 431 L N 3.013 124.385 121.223 0.247 0.000 2.331 431 L HA 0.609 4.950 4.340 0.002 0.000 0.275 431 L C -0.364 176.707 176.870 0.335 0.000 1.022 431 L CA -0.509 54.485 54.840 0.258 0.000 0.812 431 L CB 1.455 43.653 42.059 0.231 0.000 1.257 431 L HN 0.664 nan 8.230 nan 0.000 0.435 432 A N 3.053 126.028 122.820 0.257 0.000 2.355 432 A HA 0.869 5.190 4.320 0.002 0.000 0.317 432 A C -1.112 176.554 177.584 0.137 0.000 1.094 432 A CA -0.390 51.719 52.037 0.120 0.000 0.764 432 A CB 0.892 19.941 19.000 0.081 0.000 1.230 432 A HN 0.562 nan 8.150 nan 0.000 0.448 433 F N 0.166 120.067 119.950 -0.082 0.000 2.613 433 F HA 0.862 5.390 4.527 0.002 0.000 0.310 433 F C -0.455 175.300 175.800 -0.074 0.000 1.085 433 F CA -0.871 57.096 58.000 -0.055 0.000 0.945 433 F CB 1.701 40.671 39.000 -0.050 0.000 1.298 433 F HN 0.464 nan 8.300 nan 0.000 0.455 434 S N 2.310 118.069 115.700 0.098 0.000 2.571 434 S HA 0.778 5.249 4.470 0.002 0.000 0.284 434 S C -1.430 173.262 174.600 0.155 0.000 1.128 434 S CA -0.507 57.708 58.200 0.025 0.000 0.970 434 S CB 0.995 64.194 63.200 -0.003 0.000 1.039 434 S HN 0.642 nan 8.310 nan 0.000 0.485 435 I N 4.446 125.105 120.570 0.148 0.000 2.411 435 I HA 0.459 4.630 4.170 0.002 0.000 0.284 435 I C -1.010 175.147 176.117 0.068 0.000 1.012 435 I CA -0.639 60.730 61.300 0.114 0.000 1.119 435 I CB 1.955 40.023 38.000 0.112 0.000 1.261 435 I HN 0.318 nan 8.210 nan 0.000 0.448 436 V N 6.061 126.014 119.914 0.064 0.000 2.376 436 V HA 0.404 4.525 4.120 0.002 0.000 0.287 436 V C -0.390 175.742 176.094 0.063 0.000 1.015 436 V CA -0.782 61.553 62.300 0.057 0.000 0.834 436 V CB 1.348 33.208 31.823 0.061 0.000 1.001 436 V HN 0.625 nan 8.190 nan 0.000 0.428 437 N N 4.507 123.247 118.700 0.066 0.000 2.419 437 N HA 0.459 5.200 4.740 0.002 0.000 0.277 437 N C -0.868 174.762 175.510 0.200 0.000 1.006 437 N CA -0.281 52.832 53.050 0.105 0.000 0.923 437 N CB 1.903 40.397 38.487 0.011 0.000 1.140 437 N HN 0.677 nan 8.380 nan 0.000 0.488 438 N N -0.173 118.636 118.700 0.182 0.000 2.225 438 N HA 0.364 5.105 4.740 0.002 0.000 0.298 438 N C 0.478 176.023 175.510 0.059 0.000 1.076 438 N CA -0.488 52.625 53.050 0.104 0.000 0.792 438 N CB 2.385 40.901 38.487 0.048 0.000 1.498 438 N HN 0.669 nan 8.380 nan 0.000 0.474 439 G N 1.033 109.763 108.800 -0.117 0.000 2.179 439 G HA2 -0.264 3.697 3.960 0.002 0.000 0.260 439 G HA3 -0.264 3.697 3.960 0.002 0.000 0.260 439 G C 0.127 174.965 174.900 -0.104 0.000 0.977 439 G CA 0.358 45.390 45.100 -0.114 0.000 0.641 439 G HN 0.884 nan 8.290 nan 0.000 0.533 440 H N 0.085 119.161 119.070 0.010 0.000 2.929 440 H HA 0.492 5.049 4.556 0.002 0.000 0.358 440 H C 0.884 176.217 175.328 0.008 0.000 1.111 440 H CA 0.618 56.671 56.048 0.008 0.000 1.409 440 H CB 0.804 30.569 29.762 0.004 0.000 1.373 440 H HN 0.023 nan 8.280 nan 0.000 0.610 441 S N 1.316 117.059 115.700 0.072 0.000 2.524 441 S HA 0.213 4.684 4.470 0.002 0.000 0.215 441 S C 1.105 175.730 174.600 0.042 0.000 0.986 441 S CA 0.066 58.274 58.200 0.012 0.000 0.911 441 S CB 0.473 63.683 63.200 0.017 0.000 0.805 441 S HN 0.924 nan 8.310 nan 0.000 0.501 442 G N 1.598 110.466 108.800 0.114 0.000 3.212 442 G HA2 0.586 4.547 3.960 0.002 0.000 0.188 442 G HA3 0.586 4.547 3.960 0.002 0.000 0.188 442 G C -2.859 172.121 174.900 0.134 0.000 1.254 442 G CA -1.205 43.950 45.100 0.091 0.000 0.957 442 G HN 0.085 nan 8.290 nan 0.000 0.596 443 P HA 0.352 nan 4.420 nan 0.000 0.269 443 P C 0.025 177.362 177.300 0.061 0.000 1.211 443 P CA 0.012 63.148 63.100 0.060 0.000 0.781 443 P CB 0.300 32.012 31.700 0.019 0.000 0.877 444 A N 3.475 126.310 122.820 0.026 0.000 2.540 444 A HA 0.228 4.549 4.320 0.002 0.000 0.239 444 A C -1.722 175.771 177.584 -0.152 0.000 1.061 444 A CA -0.650 51.345 52.037 -0.071 0.000 0.758 444 A CB -1.045 17.934 19.000 -0.035 0.000 0.991 444 A HN 0.393 nan 8.150 nan 0.000 0.502 445 P HA 0.173 nan 4.420 nan 0.000 0.220 445 P C 0.622 177.843 177.300 -0.133 0.000 1.806 445 P CA -0.030 62.950 63.100 -0.199 0.000 0.976 445 P CB -0.055 31.490 31.700 -0.259 0.000 1.952 446 L N 0.218 121.383 121.223 -0.097 0.000 2.093 446 L HA -0.138 4.203 4.340 0.002 0.000 0.208 446 L C 2.411 179.243 176.870 -0.065 0.000 1.085 446 L CA 1.532 56.328 54.840 -0.072 0.000 0.755 446 L CB -0.900 41.125 42.059 -0.056 0.000 0.904 446 L HN 0.145 nan 8.230 nan 0.000 0.435 447 A N -0.016 122.766 122.820 -0.062 0.000 1.933 447 A HA -0.122 4.199 4.320 0.002 0.000 0.218 447 A C 2.331 179.876 177.584 -0.065 0.000 1.175 447 A CA 1.589 53.592 52.037 -0.056 0.000 0.628 447 A CB -0.701 18.270 19.000 -0.047 0.000 0.814 447 A HN 0.193 nan 8.150 nan 0.000 0.444 448 V N 0.088 119.958 119.914 -0.072 0.000 2.255 448 V HA -0.370 3.751 4.120 0.002 0.000 0.247 448 V C 2.620 178.662 176.094 -0.087 0.000 1.051 448 V CA 2.358 64.611 62.300 -0.078 0.000 1.018 448 V CB -1.246 30.529 31.823 -0.081 0.000 0.641 448 V HN 0.660 nan 8.190 nan 0.000 0.445 449 Q N -0.173 119.579 119.800 -0.080 0.000 2.096 449 Q HA -0.250 4.091 4.340 0.002 0.000 0.204 449 Q C 2.115 178.060 176.000 -0.092 0.000 0.982 449 Q CA 1.879 57.638 55.803 -0.072 0.000 0.850 449 Q CB -0.370 28.344 28.738 -0.041 0.000 0.901 449 Q HN 0.627 nan 8.270 nan 0.000 0.422 450 D N 0.507 120.860 120.400 -0.079 0.000 2.104 450 D HA -0.162 4.479 4.640 0.002 0.000 0.194 450 D C 1.843 178.080 176.300 -0.105 0.000 0.994 450 D CA 1.504 55.455 54.000 -0.082 0.000 0.830 450 D CB -0.281 40.482 40.800 -0.062 0.000 0.959 450 D HN 0.292 nan 8.370 nan 0.000 0.452 451 A N 0.723 123.483 122.820 -0.100 0.000 1.877 451 A HA -0.152 4.169 4.320 0.002 0.000 0.216 451 A C 2.419 179.919 177.584 -0.141 0.000 1.186 451 A CA 1.022 52.998 52.037 -0.102 0.000 0.620 451 A CB -0.762 18.187 19.000 -0.086 0.000 0.822 451 A HN 0.196 nan 8.150 nan 0.000 0.443 452 I N -0.092 120.372 120.570 -0.177 0.000 2.099 452 I HA -0.336 3.835 4.170 0.002 0.000 0.239 452 I C 3.012 178.938 176.117 -0.319 0.000 1.066 452 I CA 1.334 62.483 61.300 -0.252 0.000 1.324 452 I CB -0.513 37.324 38.000 -0.272 0.000 1.037 452 I HN 0.350 nan 8.210 nan 0.000 0.401 453 A N 0.373 122.973 122.820 -0.368 0.000 1.948 453 A HA -0.185 4.136 4.320 0.002 0.000 0.220 453 A C 2.420 179.864 177.584 -0.233 0.000 1.177 453 A CA 2.153 53.934 52.037 -0.426 0.000 0.636 453 A CB -1.075 17.729 19.000 -0.327 0.000 0.815 453 A HN 0.297 nan 8.150 nan 0.000 0.449 454 V N -0.296 119.525 119.914 -0.155 0.000 2.427 454 V HA -0.195 3.926 4.120 0.002 0.000 0.248 454 V C 2.631 178.685 176.094 -0.067 0.000 1.051 454 V CA 2.198 64.444 62.300 -0.089 0.000 1.048 454 V CB -0.789 30.994 31.823 -0.066 0.000 0.666 454 V HN 0.603 nan 8.190 nan 0.000 0.456 455 R N 0.526 120.969 120.500 -0.095 0.000 2.096 455 R HA -0.054 4.287 4.340 0.002 0.000 0.235 455 R C 1.996 178.275 176.300 -0.035 0.000 1.127 455 R CA 1.609 57.669 56.100 -0.067 0.000 0.968 455 R CB -0.759 29.476 30.300 -0.109 0.000 0.861 455 R HN 0.495 nan 8.270 nan 0.000 0.440 456 L N -0.499 120.663 121.223 -0.102 0.000 2.093 456 L HA -0.016 4.325 4.340 0.002 0.000 0.208 456 L C 2.381 179.298 176.870 0.078 0.000 1.085 456 L CA 1.223 56.030 54.840 -0.055 0.000 0.755 456 L CB -0.654 41.286 42.059 -0.199 0.000 0.904 456 L HN 0.268 nan 8.230 nan 0.000 0.435 457 A N 0.068 122.919 122.820 0.051 0.000 1.969 457 A HA -0.185 4.136 4.320 0.002 0.000 0.218 457 A C 2.146 179.858 177.584 0.212 0.000 1.169 457 A CA 1.395 53.523 52.037 0.152 0.000 0.635 457 A CB -0.288 18.739 19.000 0.044 0.000 0.810 457 A HN 0.443 nan 8.150 nan 0.000 0.445 458 E N -1.703 118.572 120.200 0.125 0.000 2.046 458 E HA -0.168 4.183 4.350 0.002 0.000 0.190 458 E C 1.845 178.497 176.600 0.087 0.000 0.982 458 E CA 1.239 57.695 56.400 0.093 0.000 0.800 458 E CB -0.322 29.415 29.700 0.062 0.000 0.756 458 E HN 0.744 nan 8.360 nan 0.000 0.449 459 Y N 1.309 121.612 120.300 0.005 0.000 2.128 459 Y HA -0.266 4.285 4.550 0.002 0.000 0.284 459 Y C 2.231 178.136 175.900 0.007 0.000 1.154 459 Y CA 1.586 59.687 58.100 0.003 0.000 1.149 459 Y CB -0.223 38.237 38.460 0.001 0.000 0.976 459 Y HN 0.014 nan 8.280 nan 0.000 0.505 460 A N -0.545 122.398 122.820 0.204 0.000 2.225 460 A HA 0.151 4.472 4.320 0.002 0.000 0.215 460 A C 1.833 179.342 177.584 -0.125 0.000 1.164 460 A CA 1.292 53.399 52.037 0.117 0.000 0.710 460 A CB -1.374 17.791 19.000 0.275 0.000 0.780 460 A HN 1.015 nan 8.150 nan 0.000 0.473 461 G N -1.847 106.865 108.800 -0.145 0.000 2.131 461 G HA2 -0.153 3.808 3.960 0.002 0.000 0.201 461 G HA3 -0.153 3.808 3.960 0.002 0.000 0.201 461 G C -0.098 174.615 174.900 -0.312 0.000 1.000 461 G CA 0.098 45.057 45.100 -0.235 0.000 0.680 461 G HN 0.688 nan 8.290 nan 0.000 0.514 462 H N -0.027 119.045 119.070 0.003 0.000 2.525 462 H HA 0.690 5.247 4.556 0.002 0.000 0.340 462 H C 0.249 175.577 175.328 -0.000 0.000 1.168 462 H CA 0.103 56.153 56.048 0.005 0.000 1.247 462 H CB 1.419 31.188 29.762 0.012 0.000 1.568 462 H HN 0.430 nan 8.280 nan 0.000 0.536 463 Q N -0.159 119.722 119.800 0.135 0.000 2.495 463 Q HA 0.573 4.914 4.340 0.002 0.000 0.287 463 Q C -0.943 175.093 176.000 0.060 0.000 1.078 463 Q CA -1.144 54.701 55.803 0.070 0.000 0.793 463 Q CB 3.099 31.858 28.738 0.036 0.000 1.459 463 Q HN 0.766 nan 8.270 nan 0.000 0.422 464 A N 1.719 124.559 122.820 0.033 0.000 2.425 464 A HA 0.486 4.807 4.320 0.002 0.000 0.249 464 A C -2.155 175.441 177.584 0.019 0.000 1.084 464 A CA -0.804 51.245 52.037 0.020 0.000 0.781 464 A CB -0.565 18.441 19.000 0.009 0.000 1.019 464 A HN 0.376 nan 8.150 nan 0.000 0.490 465 P HA 0.527 nan 4.420 nan 0.000 0.269 465 P C 0.140 177.445 177.300 0.009 0.000 1.209 465 P CA 0.849 63.957 63.100 0.013 0.000 0.776 465 P CB 0.686 32.392 31.700 0.009 0.000 0.876 466 E N 0.000 120.206 120.200 0.009 0.000 2.725 466 E HA 0.000 4.351 4.350 0.002 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440