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 2ht4_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLWSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.292 176.300 -0.013 0.000 0.893 18 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 18 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 19 R N 1.292 121.785 120.500 -0.011 0.000 2.236 19 R HA 0.153 4.492 4.340 -0.000 0.000 0.208 19 R C 1.904 178.197 176.300 -0.012 0.000 1.036 19 R CA 1.542 57.636 56.100 -0.010 0.000 1.001 19 R CB -0.103 30.192 30.300 -0.008 0.000 0.896 19 R HN 0.300 nan 8.270 nan 0.000 0.464 20 Q N -0.073 119.719 119.800 -0.014 0.000 2.049 20 Q HA -0.072 4.267 4.340 -0.000 0.000 0.198 20 Q C 1.743 177.730 176.000 -0.021 0.000 0.971 20 Q CA 1.277 57.069 55.803 -0.017 0.000 0.833 20 Q CB -0.187 28.538 28.738 -0.021 0.000 0.896 20 Q HN 0.357 nan 8.270 nan 0.000 0.434 21 L N 0.660 121.869 121.223 -0.023 0.000 2.056 21 L HA -0.114 4.225 4.340 -0.000 0.000 0.207 21 L C 2.148 179.006 176.870 -0.021 0.000 1.078 21 L CA 1.236 56.060 54.840 -0.027 0.000 0.749 21 L CB -0.581 41.462 42.059 -0.027 0.000 0.901 21 L HN 0.139 nan 8.230 nan 0.000 0.433 22 I N -0.368 120.193 120.570 -0.016 0.000 2.335 22 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 22 I C 2.624 178.734 176.117 -0.012 0.000 1.129 22 I CA 1.267 62.560 61.300 -0.013 0.000 1.402 22 I CB -0.532 37.461 38.000 -0.010 0.000 1.069 22 I HN 0.283 nan 8.210 nan 0.000 0.424 23 R N 0.731 121.224 120.500 -0.012 0.000 2.075 23 R HA -0.137 4.202 4.340 -0.000 0.000 0.232 23 R C 2.120 178.414 176.300 -0.010 0.000 1.126 23 R CA 1.677 57.771 56.100 -0.010 0.000 0.963 23 R CB -0.422 29.873 30.300 -0.010 0.000 0.858 23 R HN 0.427 nan 8.270 nan 0.000 0.435 24 Q N -0.277 119.514 119.800 -0.015 0.000 2.083 24 Q HA -0.026 4.314 4.340 -0.000 0.000 0.198 24 Q C 2.188 178.181 176.000 -0.012 0.000 0.969 24 Q CA 1.465 57.259 55.803 -0.015 0.000 0.838 24 Q CB -0.075 28.646 28.738 -0.029 0.000 0.900 24 Q HN 0.303 nan 8.270 nan 0.000 0.436 25 L N 0.330 121.545 121.223 -0.014 0.000 1.989 25 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 25 L C 2.123 178.988 176.870 -0.008 0.000 1.071 25 L CA 1.137 55.970 54.840 -0.012 0.000 0.749 25 L CB -0.360 41.691 42.059 -0.013 0.000 0.890 25 L HN 0.251 nan 8.230 nan 0.000 0.431 26 L N -0.709 120.509 121.223 -0.008 0.000 2.549 26 L HA -0.129 4.211 4.340 -0.000 0.000 0.229 26 L C 2.003 178.870 176.870 -0.005 0.000 1.158 26 L CA 0.518 55.354 54.840 -0.007 0.000 0.842 26 L CB -0.243 41.812 42.059 -0.006 0.000 0.952 26 L HN 0.261 nan 8.230 nan 0.000 0.452 27 E N -0.699 119.499 120.200 -0.003 0.000 2.489 27 E HA 0.099 4.449 4.350 -0.000 0.000 0.204 27 E C 0.615 177.217 176.600 0.003 0.000 1.006 27 E CA -0.092 56.309 56.400 0.000 0.000 0.936 27 E CB 0.356 30.058 29.700 0.002 0.000 1.002 27 E HN 0.287 nan 8.360 nan 0.000 0.488 28 R N 1.924 122.425 120.500 0.002 0.000 2.756 28 R HA -0.086 4.254 4.340 -0.000 0.000 0.264 28 R C -0.257 176.045 176.300 0.003 0.000 1.026 28 R CA 0.543 56.647 56.100 0.006 0.000 1.121 28 R CB 0.189 30.491 30.300 0.003 0.000 0.999 28 R HN -0.110 nan 8.270 nan 0.000 0.449 29 D N 1.813 122.216 120.400 0.007 0.000 2.746 29 D HA -0.158 4.482 4.640 -0.000 0.000 0.241 29 D C -1.288 175.009 176.300 -0.004 0.000 1.140 29 D CA 1.240 55.239 54.000 -0.002 0.000 0.707 29 D CB -0.544 40.246 40.800 -0.016 0.000 1.034 29 D HN 0.512 nan 8.370 nan 0.000 0.423 30 K N 0.999 121.401 120.400 0.004 0.000 2.954 30 K HA 0.220 4.540 4.320 -0.000 0.000 0.171 30 K C -0.565 176.041 176.600 0.009 0.000 1.079 30 K CA -0.510 55.780 56.287 0.004 0.000 0.908 30 K CB 0.866 33.370 32.500 0.005 0.000 1.142 30 K HN 0.091 nan 8.250 nan 0.000 0.613 31 T N 2.431 116.989 114.554 0.007 0.000 2.779 31 T HA 0.148 4.498 4.350 -0.000 0.000 0.296 31 T C -2.305 172.403 174.700 0.013 0.000 0.938 31 T CA -1.358 60.749 62.100 0.011 0.000 1.119 31 T CB 0.397 69.270 68.868 0.008 0.000 0.891 31 T HN 0.099 nan 8.240 nan 0.000 0.526 32 P HA 0.019 nan 4.420 nan 0.000 0.260 32 P C 1.046 178.360 177.300 0.024 0.000 1.172 32 P CA -0.177 62.934 63.100 0.018 0.000 0.760 32 P CB 0.383 32.095 31.700 0.019 0.000 0.773 33 L N 3.752 124.989 121.223 0.023 0.000 2.263 33 L HA -0.285 4.055 4.340 -0.000 0.000 0.216 33 L C 1.937 178.842 176.870 0.058 0.000 1.111 33 L CA 1.978 56.841 54.840 0.037 0.000 0.773 33 L CB -0.469 41.603 42.059 0.021 0.000 0.906 33 L HN 0.434 nan 8.230 nan 0.000 0.439 34 A N 0.512 123.354 122.820 0.038 0.000 1.865 34 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 34 A C 2.072 179.696 177.584 0.067 0.000 1.191 34 A CA 2.026 54.090 52.037 0.045 0.000 0.623 34 A CB -0.682 18.334 19.000 0.028 0.000 0.826 34 A HN 0.485 nan 8.150 nan 0.000 0.444 35 I N -0.174 120.420 120.570 0.040 0.000 2.394 35 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 35 I C 2.345 178.474 176.117 0.020 0.000 1.136 35 I CA 1.025 62.337 61.300 0.021 0.000 1.425 35 I CB -1.322 36.685 38.000 0.012 0.000 1.079 35 I HN 0.279 nan 8.210 nan 0.000 0.425 36 L N -0.132 121.117 121.223 0.042 0.000 2.093 36 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 36 L C 2.642 179.533 176.870 0.034 0.000 1.085 36 L CA 1.247 56.108 54.840 0.034 0.000 0.755 36 L CB -0.630 41.455 42.059 0.044 0.000 0.904 36 L HN 0.115 nan 8.230 nan 0.000 0.435 37 F N 0.288 120.203 119.950 -0.058 0.000 2.146 37 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 37 F C 2.511 178.239 175.800 -0.121 0.000 1.096 37 F CA 1.301 59.256 58.000 -0.075 0.000 1.275 37 F CB 0.004 38.961 39.000 -0.072 0.000 1.008 37 F HN -0.040 nan 8.300 nan 0.000 0.480 38 M N 0.191 119.756 119.600 -0.058 0.000 2.229 38 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 38 M C 2.472 178.638 176.300 -0.223 0.000 1.063 38 M CA 1.352 56.533 55.300 -0.198 0.000 1.114 38 M CB -1.977 30.534 32.600 -0.149 0.000 1.387 38 M HN 0.304 nan 8.290 nan 0.000 0.420 39 A N 0.492 123.218 122.820 -0.157 0.000 1.877 39 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 39 A C 2.482 179.960 177.584 -0.176 0.000 1.186 39 A CA 2.186 54.143 52.037 -0.133 0.000 0.620 39 A CB -1.002 17.954 19.000 -0.075 0.000 0.822 39 A HN 0.454 nan 8.150 nan 0.000 0.443 40 A N -0.438 122.242 122.820 -0.233 0.000 1.903 40 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 40 A C 2.435 179.851 177.584 -0.280 0.000 1.191 40 A CA 2.393 54.272 52.037 -0.263 0.000 0.638 40 A CB -1.230 17.543 19.000 -0.378 0.000 0.823 40 A HN 1.195 nan 8.150 nan 0.000 0.451 41 V N -0.611 119.083 119.914 -0.366 0.000 2.453 41 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 41 V C 2.225 178.195 176.094 -0.207 0.000 1.048 41 V CA 2.258 64.383 62.300 -0.292 0.000 1.049 41 V CB -0.547 31.070 31.823 -0.344 0.000 0.672 41 V HN 0.285 nan 8.190 nan 0.000 0.457 42 V N 1.765 121.557 119.914 -0.204 0.000 2.287 42 V HA -0.167 3.952 4.120 -0.000 0.000 0.248 42 V C 2.899 178.914 176.094 -0.132 0.000 1.053 42 V CA 2.398 64.600 62.300 -0.162 0.000 1.027 42 V CB -1.794 29.940 31.823 -0.149 0.000 0.646 42 V HN 0.648 nan 8.190 nan 0.000 0.447 43 G N -0.289 108.437 108.800 -0.123 0.000 2.421 43 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 43 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 43 G C 1.683 176.533 174.900 -0.082 0.000 1.171 43 G CA 1.586 46.629 45.100 -0.095 0.000 0.775 43 G HN 0.492 nan 8.290 nan 0.000 0.543 44 T N 1.303 115.802 114.554 -0.091 0.000 2.720 44 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 44 T C 2.401 177.061 174.700 -0.067 0.000 1.037 44 T CA 1.021 63.081 62.100 -0.067 0.000 1.144 44 T CB -0.208 68.614 68.868 -0.076 0.000 0.864 44 T HN 0.132 nan 8.240 nan 0.000 0.444 45 L N 0.637 121.807 121.223 -0.089 0.000 1.976 45 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 45 L C 2.723 179.538 176.870 -0.092 0.000 1.071 45 L CA 1.071 55.856 54.840 -0.092 0.000 0.746 45 L CB -0.614 41.380 42.059 -0.109 0.000 0.890 45 L HN 0.112 nan 8.230 nan 0.000 0.432 46 V N 0.018 119.874 119.914 -0.097 0.000 2.469 46 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 46 V C 2.516 178.566 176.094 -0.073 0.000 1.064 46 V CA 1.901 64.145 62.300 -0.093 0.000 1.066 46 V CB -1.526 30.236 31.823 -0.101 0.000 0.667 46 V HN 0.626 nan 8.190 nan 0.000 0.461 47 G N 0.035 108.801 108.800 -0.056 0.000 2.511 47 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 47 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 47 G C 1.560 176.432 174.900 -0.046 0.000 1.218 47 G CA 1.138 46.223 45.100 -0.024 0.000 0.788 47 G HN 0.446 nan 8.290 nan 0.000 0.560 48 L N 0.899 122.075 121.223 -0.078 0.000 1.990 48 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 48 L C 3.486 180.290 176.870 -0.111 0.000 1.072 48 L CA 1.408 56.162 54.840 -0.144 0.000 0.755 48 L CB -0.585 41.404 42.059 -0.115 0.000 0.889 48 L HN 0.328 nan 8.230 nan 0.000 0.432 49 A N -0.145 122.632 122.820 -0.071 0.000 1.917 49 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 49 A C 2.490 180.125 177.584 0.085 0.000 1.182 49 A CA 2.204 54.232 52.037 -0.014 0.000 0.633 49 A CB -0.843 18.121 19.000 -0.059 0.000 0.819 49 A HN 0.471 nan 8.150 nan 0.000 0.448 50 A N -0.810 122.021 122.820 0.017 0.000 1.930 50 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 50 A C 2.226 179.866 177.584 0.094 0.000 1.175 50 A CA 1.641 53.703 52.037 0.042 0.000 0.627 50 A CB -0.849 18.143 19.000 -0.013 0.000 0.815 50 A HN 0.407 nan 8.150 nan 0.000 0.443 51 V N 0.014 119.932 119.914 0.005 0.000 2.295 51 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 51 V C 3.065 179.123 176.094 -0.059 0.000 1.049 51 V CA 1.988 64.240 62.300 -0.080 0.000 1.024 51 V CB -1.368 30.235 31.823 -0.365 0.000 0.648 51 V HN 0.604 nan 8.190 nan 0.000 0.447 52 A N -0.359 122.442 122.820 -0.032 0.000 1.883 52 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 52 A C 2.139 179.793 177.584 0.117 0.000 1.186 52 A CA 2.148 54.217 52.037 0.053 0.000 0.624 52 A CB -0.813 18.262 19.000 0.125 0.000 0.822 52 A HN 0.519 nan 8.150 nan 0.000 0.444 53 F N 1.045 120.996 119.950 0.003 0.000 2.126 53 F HA -0.218 4.308 4.527 -0.001 0.000 0.299 53 F C 1.977 177.682 175.800 -0.159 0.000 1.096 53 F CA 2.130 59.986 58.000 -0.239 0.000 1.255 53 F CB -0.184 38.680 39.000 -0.226 0.000 0.997 53 F HN 0.321 nan 8.300 nan 0.000 0.479 54 D N 0.376 120.814 120.400 0.064 0.000 2.104 54 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 54 D C 2.085 178.348 176.300 -0.062 0.000 0.994 54 D CA 1.308 55.316 54.000 0.014 0.000 0.830 54 D CB -0.053 40.805 40.800 0.097 0.000 0.959 54 D HN 0.186 nan 8.370 nan 0.000 0.452 55 K N 0.187 120.563 120.400 -0.041 0.000 2.026 55 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 55 K C 2.233 178.823 176.600 -0.016 0.000 1.048 55 K CA 1.094 57.375 56.287 -0.010 0.000 0.929 55 K CB -1.018 31.482 32.500 -0.000 0.000 0.713 55 K HN 0.238 nan 8.250 nan 0.000 0.439 56 G N 1.607 110.335 108.800 -0.120 0.000 2.491 56 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 56 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 56 G C 1.702 176.539 174.900 -0.104 0.000 1.180 56 G CA 1.392 46.404 45.100 -0.147 0.000 0.774 56 G HN 0.152 nan 8.290 nan 0.000 0.562 57 V N 1.578 121.324 119.914 -0.281 0.000 2.490 57 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 57 V C 3.242 179.306 176.094 -0.049 0.000 1.061 57 V CA 1.886 64.059 62.300 -0.210 0.000 1.064 57 V CB -0.984 30.646 31.823 -0.322 0.000 0.670 57 V HN 0.522 nan 8.190 nan 0.000 0.461 58 A N -0.576 122.241 122.820 -0.006 0.000 1.855 58 A HA -0.257 4.063 4.320 -0.000 0.000 0.215 58 A C 1.933 179.567 177.584 0.084 0.000 1.191 58 A CA 1.830 53.892 52.037 0.043 0.000 0.613 58 A CB -0.976 18.059 19.000 0.059 0.000 0.829 58 A HN 0.646 nan 8.150 nan 0.000 0.442 59 W N 0.708 121.973 121.300 -0.059 0.000 2.301 59 W HA -0.254 4.406 4.660 -0.001 0.000 0.325 59 W C 1.948 178.438 176.519 -0.048 0.000 1.250 59 W CA 2.436 59.754 57.345 -0.045 0.000 1.261 59 W CB -0.420 29.013 29.460 -0.045 0.000 1.157 59 W HN 0.276 nan 8.180 nan 0.000 0.473 60 L N -0.126 121.278 121.223 0.301 0.000 2.191 60 L HA -0.236 4.103 4.340 -0.000 0.000 0.212 60 L C 2.454 179.318 176.870 -0.010 0.000 1.103 60 L CA 1.433 56.367 54.840 0.156 0.000 0.769 60 L CB -0.952 41.200 42.059 0.154 0.000 0.908 60 L HN 0.150 nan 8.230 nan 0.000 0.438 61 Q N -0.221 119.572 119.800 -0.013 0.000 2.230 61 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 61 Q C 2.020 177.983 176.000 -0.063 0.000 0.963 61 Q CA 1.081 56.869 55.803 -0.025 0.000 0.866 61 Q CB 0.072 28.809 28.738 -0.002 0.000 0.931 61 Q HN 0.489 nan 8.270 nan 0.000 0.452 62 N N -0.854 117.774 118.700 -0.120 0.000 2.080 62 N HA -0.186 4.554 4.740 -0.000 0.000 0.189 62 N C 1.623 176.991 175.510 -0.237 0.000 1.036 62 N CA 0.774 53.719 53.050 -0.175 0.000 0.846 62 N CB 0.234 38.572 38.487 -0.249 0.000 1.015 62 N HN 0.184 nan 8.380 nan 0.000 0.423 63 Q N 1.020 120.599 119.800 -0.367 0.000 2.077 63 Q HA -0.162 4.177 4.340 -0.000 0.000 0.206 63 Q C 2.024 177.903 176.000 -0.201 0.000 0.989 63 Q CA 1.350 56.932 55.803 -0.369 0.000 0.853 63 Q CB -0.560 27.907 28.738 -0.451 0.000 0.907 63 Q HN 0.425 nan 8.270 nan 0.000 0.418 64 R N -0.312 120.107 120.500 -0.135 0.000 2.105 64 R HA -0.082 4.258 4.340 -0.000 0.000 0.239 64 R C 2.224 178.491 176.300 -0.055 0.000 1.135 64 R CA 1.452 57.508 56.100 -0.075 0.000 0.967 64 R CB -0.251 30.026 30.300 -0.037 0.000 0.861 64 R HN 0.181 nan 8.270 nan 0.000 0.442 65 M N -0.598 118.972 119.600 -0.049 0.000 2.349 65 M HA 0.016 4.496 4.480 -0.000 0.000 0.266 65 M C 2.029 178.311 176.300 -0.029 0.000 1.076 65 M CA 1.189 56.484 55.300 -0.008 0.000 1.126 65 M CB 0.024 32.630 32.600 0.010 0.000 1.392 65 M HN 0.252 nan 8.290 nan 0.000 0.440 66 G N -0.876 107.870 108.800 -0.090 0.000 2.404 66 G HA2 -0.079 3.880 3.960 -0.000 0.000 0.214 66 G HA3 -0.079 3.880 3.960 -0.000 0.000 0.214 66 G C 1.580 176.413 174.900 -0.111 0.000 1.189 66 G CA 0.692 45.725 45.100 -0.110 0.000 0.789 66 G HN 0.525 nan 8.290 nan 0.000 0.533 67 A N 0.329 123.069 122.820 -0.134 0.000 2.019 67 A HA 0.135 4.454 4.320 -0.000 0.000 0.219 67 A C 2.322 179.888 177.584 -0.031 0.000 1.164 67 A CA 0.957 52.928 52.037 -0.110 0.000 0.644 67 A CB -0.367 18.572 19.000 -0.102 0.000 0.805 67 A HN 0.352 nan 8.150 nan 0.000 0.449 68 L N -0.638 120.560 121.223 -0.041 0.000 2.275 68 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 68 L C 2.181 179.051 176.870 0.000 0.000 1.119 68 L CA 0.837 55.643 54.840 -0.056 0.000 0.790 68 L CB -0.063 41.958 42.059 -0.063 0.000 0.919 68 L HN 0.297 nan 8.230 nan 0.000 0.443 69 V N -1.621 118.327 119.914 0.057 0.000 2.878 69 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 69 V C 2.110 178.288 176.094 0.140 0.000 1.075 69 V CA 0.850 63.210 62.300 0.099 0.000 1.096 69 V CB -0.514 31.372 31.823 0.104 0.000 0.724 69 V HN 0.469 nan 8.190 nan 0.000 0.467 70 H N 0.388 119.446 119.070 -0.020 0.000 2.521 70 H HA -0.064 4.491 4.556 -0.000 0.000 0.286 70 H C 1.569 176.886 175.328 -0.018 0.000 1.034 70 H CA 1.541 57.578 56.048 -0.018 0.000 1.278 70 H CB 0.370 30.117 29.762 -0.026 0.000 1.386 70 H HN 0.597 nan 8.280 nan 0.000 0.567 71 T N -3.355 111.238 114.554 0.064 0.000 3.380 71 T HA 0.465 4.815 4.350 -0.000 0.000 0.289 71 T C 1.417 176.120 174.700 0.004 0.000 1.012 71 T CA 0.135 62.242 62.100 0.010 0.000 0.944 71 T CB 0.530 69.392 68.868 -0.009 0.000 1.172 71 T HN 0.206 nan 8.240 nan 0.000 0.502 72 A N 2.186 125.022 122.820 0.026 0.000 1.972 72 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 72 A C 1.303 178.935 177.584 0.080 0.000 1.169 72 A CA 1.158 53.230 52.037 0.059 0.000 0.635 72 A CB -0.442 18.601 19.000 0.071 0.000 0.810 72 A HN 0.814 nan 8.150 nan 0.000 0.446 73 D N -1.620 118.812 120.400 0.053 0.000 2.506 73 D HA 0.139 4.778 4.640 -0.000 0.000 0.272 73 D C 0.053 176.393 176.300 0.067 0.000 1.214 73 D CA -0.668 53.369 54.000 0.062 0.000 1.067 73 D CB -0.306 40.514 40.800 0.033 0.000 1.117 73 D HN 0.308 nan 8.370 nan 0.000 0.578 74 N N -0.815 117.929 118.700 0.073 0.000 2.573 74 N HA -0.292 4.448 4.740 -0.000 0.000 0.280 74 N C -0.158 175.415 175.510 0.104 0.000 1.187 74 N CA -0.036 53.058 53.050 0.073 0.000 0.717 74 N CB -0.714 37.790 38.487 0.029 0.000 0.899 74 N HN 0.457 nan 8.380 nan 0.000 0.546 75 Y N 3.272 123.578 120.300 0.009 0.000 2.053 75 Y HA -0.103 4.447 4.550 -0.000 0.000 0.277 75 Y C -0.926 174.974 175.900 -0.000 0.000 1.159 75 Y CA 2.092 60.203 58.100 0.019 0.000 1.125 75 Y CB -0.969 37.517 38.460 0.044 0.000 0.969 75 Y HN 0.470 nan 8.280 nan 0.000 0.492 76 P HA -0.147 nan 4.420 nan 0.000 0.225 76 P C 1.649 178.859 177.300 -0.150 0.000 1.148 76 P CA 1.282 64.282 63.100 -0.166 0.000 0.779 76 P CB -0.161 31.510 31.700 -0.048 0.000 0.780 77 L N -0.363 120.803 121.223 -0.095 0.000 2.156 77 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 77 L C 1.749 178.549 176.870 -0.117 0.000 1.095 77 L CA 1.538 56.329 54.840 -0.083 0.000 0.770 77 L CB -1.239 40.795 42.059 -0.042 0.000 0.914 77 L HN -0.093 nan 8.230 nan 0.000 0.439 78 L N -2.010 119.113 121.223 -0.166 0.000 2.127 78 L HA 0.038 4.378 4.340 -0.000 0.000 0.203 78 L C 2.101 178.780 176.870 -0.318 0.000 1.080 78 L CA 1.496 56.196 54.840 -0.233 0.000 0.768 78 L CB -1.367 40.538 42.059 -0.258 0.000 0.924 78 L HN 0.141 nan 8.230 nan 0.000 0.444 79 L N 0.010 121.007 121.223 -0.376 0.000 2.187 79 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 79 L C 2.400 179.188 176.870 -0.136 0.000 1.100 79 L CA 1.568 56.228 54.840 -0.300 0.000 0.765 79 L CB -1.159 40.696 42.059 -0.339 0.000 0.904 79 L HN 0.419 nan 8.230 nan 0.000 0.437 80 T N -0.240 114.232 114.554 -0.137 0.000 2.732 80 T HA -0.119 4.231 4.350 -0.000 0.000 0.261 80 T C 1.952 176.644 174.700 -0.013 0.000 1.040 80 T CA 1.622 63.673 62.100 -0.082 0.000 1.145 80 T CB -0.167 68.641 68.868 -0.099 0.000 0.866 80 T HN 0.288 nan 8.240 nan 0.000 0.427 81 V N 1.234 121.119 119.914 -0.049 0.000 2.490 81 V HA -0.022 4.098 4.120 -0.000 0.000 0.250 81 V C 2.730 178.817 176.094 -0.011 0.000 1.061 81 V CA 1.357 63.642 62.300 -0.025 0.000 1.064 81 V CB -1.694 30.100 31.823 -0.050 0.000 0.670 81 V HN 0.437 nan 8.190 nan 0.000 0.461 82 A N 0.341 123.129 122.820 -0.052 0.000 1.877 82 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 82 A C 2.072 179.687 177.584 0.052 0.000 1.186 82 A CA 2.009 54.024 52.037 -0.038 0.000 0.620 82 A CB -0.779 18.158 19.000 -0.105 0.000 0.822 82 A HN 0.566 nan 8.150 nan 0.000 0.443 83 F N 0.705 120.621 119.950 -0.057 0.000 2.031 83 F HA -0.121 4.406 4.527 -0.000 0.000 0.295 83 F C 2.012 177.802 175.800 -0.017 0.000 1.133 83 F CA 1.715 59.699 58.000 -0.026 0.000 1.188 83 F CB -0.610 38.371 39.000 -0.033 0.000 0.974 83 F HN 0.125 nan 8.300 nan 0.000 0.473 84 L N 0.137 121.646 121.223 0.477 0.000 2.137 84 L HA -0.343 3.997 4.340 -0.000 0.000 0.213 84 L C 2.421 179.373 176.870 0.137 0.000 1.085 84 L CA 1.718 56.744 54.840 0.310 0.000 0.760 84 L CB -1.242 40.908 42.059 0.151 0.000 0.893 84 L HN 0.448 nan 8.230 nan 0.000 0.434 85 C N -3.640 115.702 119.300 0.070 0.000 2.590 85 C HA 0.142 4.602 4.460 -0.000 0.000 0.272 85 C C 2.825 177.822 174.990 0.012 0.000 1.338 85 C CA -0.270 58.766 59.018 0.031 0.000 1.746 85 C CB -0.307 27.438 27.740 0.009 0.000 2.020 85 C HN 0.325 nan 8.230 nan 0.000 0.531 86 S N 1.850 117.535 115.700 -0.025 0.000 2.371 86 S HA 0.029 4.498 4.470 -0.000 0.000 0.224 86 S C 2.345 176.902 174.600 -0.072 0.000 1.029 86 S CA 1.374 59.539 58.200 -0.057 0.000 0.978 86 S CB -0.439 62.689 63.200 -0.121 0.000 0.833 86 S HN 0.754 nan 8.310 nan 0.000 0.466 87 A N 1.242 123.983 122.820 -0.131 0.000 1.865 87 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 87 A C 2.324 179.932 177.584 0.039 0.000 1.191 87 A CA 1.698 53.685 52.037 -0.082 0.000 0.623 87 A CB -1.064 17.963 19.000 0.046 0.000 0.826 87 A HN 0.334 nan 8.150 nan 0.000 0.444 88 V N -0.071 119.883 119.914 0.067 0.000 2.407 88 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 88 V C 2.554 178.725 176.094 0.127 0.000 1.055 88 V CA 1.965 64.317 62.300 0.087 0.000 1.049 88 V CB -0.635 31.225 31.823 0.061 0.000 0.662 88 V HN 0.551 nan 8.190 nan 0.000 0.455 89 L N -0.469 120.818 121.223 0.107 0.000 2.109 89 L HA -0.063 4.276 4.340 -0.000 0.000 0.207 89 L C 2.707 179.727 176.870 0.250 0.000 1.086 89 L CA 1.216 56.149 54.840 0.156 0.000 0.760 89 L CB -0.747 41.368 42.059 0.093 0.000 0.910 89 L HN 0.346 nan 8.230 nan 0.000 0.437 90 A N 0.303 123.238 122.820 0.193 0.000 1.851 90 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 90 A C 2.308 180.121 177.584 0.381 0.000 1.195 90 A CA 2.064 54.267 52.037 0.278 0.000 0.622 90 A CB -0.603 18.483 19.000 0.143 0.000 0.831 90 A HN 0.310 nan 8.150 nan 0.000 0.444 91 M N -2.024 117.710 119.600 0.224 0.000 2.082 91 M HA -0.164 4.315 4.480 -0.000 0.000 0.258 91 M C 2.190 178.679 176.300 0.314 0.000 1.069 91 M CA 2.230 57.657 55.300 0.212 0.000 1.102 91 M CB -0.602 32.071 32.600 0.122 0.000 1.336 91 M HN 0.553 nan 8.290 nan 0.000 0.404 92 F N 0.918 120.972 119.950 0.174 0.000 2.192 92 F HA -0.168 4.358 4.527 -0.000 0.000 0.301 92 F C 2.023 177.975 175.800 0.253 0.000 1.079 92 F CA 1.833 59.948 58.000 0.191 0.000 1.303 92 F CB -0.522 38.555 39.000 0.128 0.000 1.024 92 F HN 0.063 nan 8.300 nan 0.000 0.494 93 G N -1.324 107.635 108.800 0.266 0.000 2.404 93 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.213 93 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.213 93 G C 1.296 176.214 174.900 0.030 0.000 1.189 93 G CA 0.612 45.775 45.100 0.104 0.000 0.796 93 G HN 0.425 nan 8.290 nan 0.000 0.532 94 Y N -0.149 120.163 120.300 0.019 0.000 2.298 94 Y HA -0.103 4.447 4.550 -0.000 0.000 0.287 94 Y C 2.264 178.101 175.900 -0.106 0.000 1.164 94 Y CA 1.312 59.379 58.100 -0.055 0.000 1.229 94 Y CB -0.405 38.067 38.460 0.021 0.000 0.977 94 Y HN 0.275 nan 8.280 nan 0.000 0.538 95 F N -0.579 119.367 119.950 -0.007 0.000 2.037 95 F HA -0.180 4.347 4.527 -0.000 0.000 0.291 95 F C 2.141 177.884 175.800 -0.096 0.000 1.137 95 F CA 0.997 58.955 58.000 -0.069 0.000 1.178 95 F CB -0.548 38.421 39.000 -0.051 0.000 0.995 95 F HN -0.178 nan 8.300 nan 0.000 0.472 96 L N 0.411 121.489 121.223 -0.243 0.000 2.230 96 L HA -0.270 4.070 4.340 -0.000 0.000 0.217 96 L C 2.191 178.943 176.870 -0.197 0.000 1.090 96 L CA 1.392 56.075 54.840 -0.262 0.000 0.771 96 L CB -1.313 40.565 42.059 -0.302 0.000 0.892 96 L HN 0.207 nan 8.230 nan 0.000 0.438 97 V N -1.105 118.665 119.914 -0.241 0.000 2.283 97 V HA -0.124 3.995 4.120 -0.000 0.000 0.239 97 V C 2.563 178.460 176.094 -0.327 0.000 1.035 97 V CA 0.894 63.042 62.300 -0.253 0.000 1.018 97 V CB -0.431 31.216 31.823 -0.294 0.000 0.658 97 V HN 0.306 nan 8.190 nan 0.000 0.459 98 R N 0.356 120.599 120.500 -0.428 0.000 2.139 98 R HA -0.202 4.138 4.340 -0.000 0.000 0.243 98 R C 2.152 178.197 176.300 -0.425 0.000 1.145 98 R CA 1.698 57.511 56.100 -0.478 0.000 0.976 98 R CB -0.501 29.492 30.300 -0.512 0.000 0.866 98 R HN 0.404 nan 8.270 nan 0.000 0.449 99 K N -0.377 119.690 120.400 -0.556 0.000 2.020 99 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 99 K C 1.570 177.784 176.600 -0.644 0.000 1.038 99 K CA 1.276 57.133 56.287 -0.718 0.000 0.947 99 K CB -0.224 31.526 32.500 -1.251 0.000 0.744 99 K HN 0.069 nan 8.250 nan 0.000 0.442 100 Y N -0.702 119.387 120.300 -0.351 0.000 2.466 100 Y HA 0.469 5.019 4.550 -0.000 0.000 0.272 100 Y C -0.252 175.544 175.900 -0.172 0.000 1.169 100 Y CA 0.102 58.072 58.100 -0.217 0.000 1.285 100 Y CB 0.817 39.167 38.460 -0.183 0.000 1.078 100 Y HN 0.140 nan 8.280 nan 0.000 0.523 101 A N -0.666 122.101 122.820 -0.090 0.000 2.001 101 A HA 0.319 4.639 4.320 -0.000 0.000 0.259 101 A C -2.466 175.031 177.584 -0.145 0.000 1.410 101 A CA -0.776 51.199 52.037 -0.104 0.000 1.208 101 A CB -0.186 18.762 19.000 -0.086 0.000 1.163 101 A HN -0.018 nan 8.150 nan 0.000 0.651 102 P HA -0.165 nan 4.420 nan 0.000 0.219 102 P C 0.995 178.211 177.300 -0.140 0.000 1.146 102 P CA 1.745 64.731 63.100 -0.189 0.000 0.808 102 P CB 0.118 31.717 31.700 -0.168 0.000 0.779 103 E N -0.530 119.607 120.200 -0.105 0.000 2.511 103 E HA 0.128 4.478 4.350 -0.000 0.000 0.196 103 E C 1.081 177.636 176.600 -0.075 0.000 1.066 103 E CA 0.454 56.809 56.400 -0.075 0.000 0.871 103 E CB -0.503 29.156 29.700 -0.068 0.000 0.863 103 E HN 0.119 nan 8.360 nan 0.000 0.520 104 A N 1.092 123.852 122.820 -0.099 0.000 2.701 104 A HA 0.531 4.851 4.320 -0.000 0.000 0.297 104 A C 0.630 178.152 177.584 -0.103 0.000 1.197 104 A CA -0.173 51.812 52.037 -0.087 0.000 0.963 104 A CB 0.110 19.057 19.000 -0.089 0.000 1.175 104 A HN 0.261 nan 8.150 nan 0.000 0.531 105 G N -1.848 106.882 108.800 -0.117 0.000 2.531 105 G HA2 0.602 4.562 3.960 -0.000 0.000 0.313 105 G HA3 0.602 4.562 3.960 -0.000 0.000 0.313 105 G C 0.787 175.620 174.900 -0.111 0.000 1.238 105 G CA 0.089 45.096 45.100 -0.153 0.000 0.994 105 G HN 1.441 nan 8.290 nan 0.000 0.493 106 G N -0.436 108.255 108.800 -0.182 0.000 2.596 106 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.295 106 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.295 106 G C 1.606 176.546 174.900 0.067 0.000 1.240 106 G CA 1.401 46.331 45.100 -0.284 0.000 0.985 106 G HN 1.729 nan 8.290 nan 0.000 0.555 107 S N -0.303 115.611 115.700 0.357 0.000 2.341 107 S HA 0.307 4.777 4.470 -0.000 0.000 0.216 107 S C 2.484 177.252 174.600 0.280 0.000 1.034 107 S CA 2.508 61.038 58.200 0.550 0.000 0.964 107 S CB -0.659 63.075 63.200 0.890 0.000 0.882 107 S HN 2.841 nan 8.310 nan 0.000 0.469 108 G N 0.840 109.780 108.800 0.232 0.000 2.241 108 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.244 108 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.244 108 G C 0.891 175.829 174.900 0.064 0.000 0.998 108 G CA 0.425 45.585 45.100 0.101 0.000 0.621 108 G HN 0.491 nan 8.290 nan 0.000 0.519 109 I N 2.211 122.837 120.570 0.094 0.000 2.179 109 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 109 I C 0.686 176.748 176.117 -0.091 0.000 1.088 109 I CA 2.234 63.425 61.300 -0.182 0.000 1.357 109 I CB -1.979 35.525 38.000 -0.826 0.000 1.051 109 I HN 0.228 nan 8.210 nan 0.000 0.409 110 P HA -0.177 nan 4.420 nan 0.000 0.218 110 P C 1.422 178.782 177.300 0.100 0.000 1.149 110 P CA 1.552 64.789 63.100 0.227 0.000 0.817 110 P CB 0.060 31.982 31.700 0.369 0.000 0.785 111 E N -0.484 119.762 120.200 0.076 0.000 2.152 111 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 111 E C 1.934 178.533 176.600 -0.003 0.000 0.983 111 E CA 0.678 57.098 56.400 0.034 0.000 0.818 111 E CB -0.714 28.998 29.700 0.021 0.000 0.758 111 E HN 0.035 nan 8.360 nan 0.000 0.467 112 I N 0.893 121.445 120.570 -0.030 0.000 2.500 112 I HA -0.105 4.064 4.170 -0.000 0.000 0.252 112 I C 2.017 178.095 176.117 -0.065 0.000 1.142 112 I CA 1.049 62.316 61.300 -0.056 0.000 1.451 112 I CB -1.030 36.920 38.000 -0.083 0.000 1.093 112 I HN 0.205 nan 8.210 nan 0.000 0.430 113 E N 0.787 120.938 120.200 -0.082 0.000 2.085 113 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 113 E C 2.317 178.904 176.600 -0.021 0.000 0.994 113 E CA 1.268 57.617 56.400 -0.085 0.000 0.801 113 E CB -0.315 29.336 29.700 -0.083 0.000 0.743 113 E HN 0.547 nan 8.360 nan 0.000 0.453 114 G N 0.863 109.668 108.800 0.009 0.000 2.422 114 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 114 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 114 G C 1.646 176.562 174.900 0.027 0.000 1.146 114 G CA 0.840 45.958 45.100 0.030 0.000 0.769 114 G HN 0.360 nan 8.290 nan 0.000 0.547 115 A N 0.327 123.154 122.820 0.012 0.000 1.978 115 A HA 0.079 4.398 4.320 -0.000 0.000 0.220 115 A C 2.392 180.005 177.584 0.048 0.000 1.170 115 A CA 1.279 53.326 52.037 0.017 0.000 0.636 115 A CB -0.308 18.690 19.000 -0.003 0.000 0.810 115 A HN 0.375 nan 8.150 nan 0.000 0.448 116 L N -0.726 120.528 121.223 0.052 0.000 2.109 116 L HA -0.071 4.268 4.340 -0.000 0.000 0.207 116 L C 2.067 179.022 176.870 0.141 0.000 1.086 116 L CA 0.924 55.834 54.840 0.118 0.000 0.760 116 L CB -0.286 41.778 42.059 0.009 0.000 0.910 116 L HN 0.297 nan 8.230 nan 0.000 0.437 117 E N -0.272 119.976 120.200 0.079 0.000 2.511 117 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 117 E C -0.361 176.302 176.600 0.106 0.000 1.066 117 E CA 0.312 56.764 56.400 0.086 0.000 0.871 117 E CB -0.123 29.622 29.700 0.076 0.000 0.863 117 E HN 0.367 nan 8.360 nan 0.000 0.520 118 D N 0.887 121.352 120.400 0.109 0.000 2.716 118 D HA -0.163 4.477 4.640 -0.000 0.000 0.239 118 D C 0.359 176.690 176.300 0.051 0.000 1.125 118 D CA 0.489 54.532 54.000 0.072 0.000 0.681 118 D CB -0.713 40.136 40.800 0.081 0.000 1.070 118 D HN 0.293 nan 8.370 nan 0.000 0.432 119 Q N -0.845 118.982 119.800 0.045 0.000 2.140 119 Q HA 0.133 4.473 4.340 -0.000 0.000 0.227 119 Q C 0.403 176.421 176.000 0.030 0.000 0.798 119 Q CA 0.165 55.990 55.803 0.037 0.000 0.987 119 Q CB 1.425 30.187 28.738 0.039 0.000 1.161 119 Q HN 0.226 nan 8.270 nan 0.000 0.480 120 R N 0.858 121.373 120.500 0.026 0.000 2.740 120 R HA 0.540 4.880 4.340 -0.000 0.000 0.273 120 R C -2.525 173.782 176.300 0.012 0.000 0.998 120 R CA -1.639 54.471 56.100 0.017 0.000 0.900 120 R CB 1.161 31.469 30.300 0.014 0.000 1.223 120 R HN -0.051 nan 8.270 nan 0.000 0.466 121 P HA 0.322 nan 4.420 nan 0.000 0.279 121 P C -0.458 176.825 177.300 -0.029 0.000 1.276 121 P CA -0.464 62.640 63.100 0.006 0.000 0.801 121 P CB 0.825 32.532 31.700 0.012 0.000 1.127 122 V N 0.886 120.778 119.914 -0.037 0.000 2.405 122 V HA 0.235 4.355 4.120 -0.000 0.000 0.253 122 V C 0.903 176.844 176.094 -0.254 0.000 0.963 122 V CA -0.544 61.712 62.300 -0.074 0.000 1.003 122 V CB -0.202 31.630 31.823 0.015 0.000 1.251 122 V HN 0.424 nan 8.190 nan 0.000 0.520 123 R N 2.685 122.892 120.500 -0.489 0.000 4.510 123 R HA -0.012 4.327 4.340 -0.000 0.000 0.170 123 R C 1.585 177.064 176.300 -1.368 0.000 1.906 123 R CA -0.103 55.237 56.100 -1.267 0.000 1.492 123 R CB -0.183 29.636 30.300 -0.801 0.000 1.383 123 R HN 0.929 nan 8.270 nan 0.000 0.823 124 W N 1.513 122.200 121.300 -1.021 0.000 2.318 124 W HA -0.282 4.378 4.660 -0.000 0.000 0.313 124 W C 0.996 177.267 176.519 -0.414 0.000 1.221 124 W CA 1.093 58.129 57.345 -0.515 0.000 1.266 124 W CB -1.451 27.884 29.460 -0.209 0.000 1.150 124 W HN 0.497 nan 8.180 nan 0.000 0.496 125 W N 1.657 122.556 121.300 -0.667 0.000 2.303 125 W HA -0.138 4.522 4.660 -0.000 0.000 0.287 125 W C 2.186 178.599 176.519 -0.178 0.000 1.213 125 W CA 1.918 58.947 57.345 -0.527 0.000 1.203 125 W CB -1.440 27.538 29.460 -0.803 0.000 1.136 125 W HN -0.140 nan 8.180 nan 0.000 0.547 126 R N 0.397 120.575 120.500 -0.537 0.000 2.072 126 R HA 0.032 4.372 4.340 -0.000 0.000 0.214 126 R C 2.300 178.507 176.300 -0.154 0.000 1.168 126 R CA 1.177 57.137 56.100 -0.234 0.000 1.020 126 R CB -0.782 29.350 30.300 -0.280 0.000 0.914 126 R HN 0.142 nan 8.270 nan 0.000 0.449 127 V N 2.425 122.204 119.914 -0.226 0.000 2.255 127 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 127 V C 2.488 178.557 176.094 -0.042 0.000 1.051 127 V CA 1.761 63.986 62.300 -0.124 0.000 1.018 127 V CB -0.664 31.073 31.823 -0.143 0.000 0.641 127 V HN 0.260 nan 8.190 nan 0.000 0.445 128 L N 0.639 121.857 121.223 -0.008 0.000 1.965 128 L HA -0.192 4.148 4.340 -0.000 0.000 0.226 128 L C 0.461 177.350 176.870 0.032 0.000 1.083 128 L CA 2.556 57.405 54.840 0.015 0.000 0.790 128 L CB -2.295 39.800 42.059 0.060 0.000 0.898 128 L HN 0.364 nan 8.230 nan 0.000 0.439 129 P HA -0.108 nan 4.420 nan 0.000 0.220 129 P C 1.832 179.296 177.300 0.273 0.000 1.148 129 P CA 1.328 64.547 63.100 0.199 0.000 0.803 129 P CB 0.071 31.900 31.700 0.216 0.000 0.782 130 V N 0.705 120.692 119.914 0.122 0.000 2.255 130 V HA -0.179 3.940 4.120 -0.000 0.000 0.243 130 V C 2.807 178.956 176.094 0.090 0.000 1.038 130 V CA 2.064 64.413 62.300 0.081 0.000 1.008 130 V CB -1.110 30.709 31.823 -0.007 0.000 0.645 130 V HN 0.052 nan 8.190 nan 0.000 0.449 131 K N 0.045 120.472 120.400 0.044 0.000 2.032 131 K HA -0.201 4.118 4.320 -0.000 0.000 0.209 131 K C 1.932 178.576 176.600 0.074 0.000 1.048 131 K CA 1.870 58.166 56.287 0.015 0.000 0.927 131 K CB -0.721 31.752 32.500 -0.045 0.000 0.712 131 K HN 0.337 nan 8.250 nan 0.000 0.441 132 F N -0.186 119.707 119.950 -0.094 0.000 2.025 132 F HA -0.238 4.289 4.527 -0.001 0.000 0.297 132 F C 1.729 177.517 175.800 -0.019 0.000 1.132 132 F CA 1.936 59.862 58.000 -0.123 0.000 1.191 132 F CB -0.413 38.367 39.000 -0.366 0.000 0.963 132 F HN 0.029 nan 8.300 nan 0.000 0.481 133 F N 0.586 120.787 119.950 0.418 0.000 2.259 133 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 133 F C 2.599 178.561 175.800 0.269 0.000 1.088 133 F CA 1.084 59.279 58.000 0.325 0.000 1.358 133 F CB -1.500 37.740 39.000 0.400 0.000 1.040 133 F HN 0.082 nan 8.300 nan 0.000 0.505 134 G N -0.090 108.896 108.800 0.310 0.000 2.433 134 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 134 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 134 G C 2.085 177.087 174.900 0.170 0.000 1.186 134 G CA 0.878 46.078 45.100 0.166 0.000 0.779 134 G HN 0.488 nan 8.290 nan 0.000 0.543 135 G N 0.795 109.697 108.800 0.169 0.000 2.421 135 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 135 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 135 G C 1.747 176.727 174.900 0.134 0.000 1.171 135 G CA 0.820 46.050 45.100 0.217 0.000 0.775 135 G HN 0.330 nan 8.290 nan 0.000 0.543 136 L N 1.488 122.725 121.223 0.023 0.000 2.211 136 L HA -0.060 4.280 4.340 -0.000 0.000 0.216 136 L C 2.860 179.729 176.870 -0.000 0.000 1.092 136 L CA 1.843 56.557 54.840 -0.210 0.000 0.767 136 L CB -0.549 41.397 42.059 -0.187 0.000 0.894 136 L HN 0.275 nan 8.230 nan 0.000 0.437 137 G N -1.962 106.939 108.800 0.168 0.000 2.456 137 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.213 137 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.213 137 G C 1.549 176.543 174.900 0.157 0.000 1.215 137 G CA 1.030 46.270 45.100 0.234 0.000 0.805 137 G HN 0.430 nan 8.290 nan 0.000 0.537 138 T N 0.438 115.084 114.554 0.153 0.000 2.708 138 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 138 T C 2.304 177.058 174.700 0.089 0.000 1.037 138 T CA 1.078 63.257 62.100 0.133 0.000 1.146 138 T CB -0.333 68.594 68.868 0.100 0.000 0.865 138 T HN -0.032 nan 8.240 nan 0.000 0.435 139 L N 1.922 123.181 121.223 0.060 0.000 1.994 139 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 139 L C 3.143 180.007 176.870 -0.010 0.000 1.071 139 L CA 2.197 57.050 54.840 0.021 0.000 0.745 139 L CB -1.980 40.067 42.059 -0.020 0.000 0.892 139 L HN 0.520 nan 8.230 nan 0.000 0.431 140 G N -0.736 108.041 108.800 -0.038 0.000 2.485 140 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.221 140 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.221 140 G C 1.375 176.282 174.900 0.011 0.000 1.115 140 G CA 0.780 45.867 45.100 -0.023 0.000 0.751 140 G HN 0.527 nan 8.290 nan 0.000 0.567 141 G N -0.506 108.311 108.800 0.028 0.000 3.181 141 G HA2 0.406 4.366 3.960 -0.000 0.000 0.219 141 G HA3 0.406 4.366 3.960 -0.000 0.000 0.219 141 G C 1.080 175.992 174.900 0.020 0.000 1.182 141 G CA 0.361 45.475 45.100 0.024 0.000 0.791 141 G HN 1.316 nan 8.290 nan 0.000 0.537 142 G N 0.134 108.949 108.800 0.026 0.000 2.256 142 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.272 142 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.272 142 G C 0.335 175.258 174.900 0.039 0.000 1.076 142 G CA 0.210 45.329 45.100 0.032 0.000 0.882 142 G HN 0.425 nan 8.290 nan 0.000 0.497 143 M N -0.496 119.134 119.600 0.050 0.000 2.255 143 M HA 0.309 4.789 4.480 -0.000 0.000 0.336 143 M C 1.183 177.523 176.300 0.068 0.000 1.135 143 M CA -0.459 54.882 55.300 0.067 0.000 1.145 143 M CB 1.398 34.058 32.600 0.099 0.000 1.473 143 M HN -0.075 nan 8.290 nan 0.000 0.462 144 V N 5.020 124.979 119.914 0.075 0.000 1.956 144 V HA 0.122 4.241 4.120 -0.000 0.000 0.248 144 V C -0.066 176.089 176.094 0.102 0.000 1.615 144 V CA 0.454 62.798 62.300 0.074 0.000 1.558 144 V CB -1.760 30.106 31.823 0.072 0.000 1.529 144 V HN 0.547 nan 8.190 nan 0.000 0.505 145 L N 1.072 122.351 121.223 0.093 0.000 2.359 145 L HA 0.870 5.210 4.340 -0.000 0.000 0.256 145 L C 0.410 177.327 176.870 0.079 0.000 1.026 145 L CA -0.756 54.159 54.840 0.124 0.000 0.828 145 L CB 2.071 44.225 42.059 0.159 0.000 1.406 145 L HN 0.361 nan 8.230 nan 0.000 0.413 146 G N -0.499 108.358 108.800 0.096 0.000 2.400 146 G HA2 0.474 4.434 3.960 -0.000 0.000 0.333 146 G HA3 0.474 4.434 3.960 -0.000 0.000 0.333 146 G C 0.244 175.170 174.900 0.043 0.000 1.143 146 G CA -0.508 44.620 45.100 0.047 0.000 0.914 146 G HN 0.667 nan 8.290 nan 0.000 0.480 147 R N 0.132 120.635 120.500 0.005 0.000 2.117 147 R HA -0.167 4.172 4.340 -0.000 0.000 0.243 147 R C 2.336 178.533 176.300 -0.172 0.000 1.143 147 R CA 2.088 58.204 56.100 0.028 0.000 0.968 147 R CB 0.020 30.326 30.300 0.010 0.000 0.863 147 R HN 0.733 nan 8.270 nan 0.000 0.444 148 E N -0.110 119.934 120.200 -0.259 0.000 2.110 148 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 148 E C 1.923 178.375 176.600 -0.247 0.000 0.988 148 E CA 1.316 57.502 56.400 -0.357 0.000 0.804 148 E CB -0.855 28.570 29.700 -0.460 0.000 0.745 148 E HN 0.375 nan 8.360 nan 0.000 0.458 149 G N 1.986 110.727 108.800 -0.099 0.000 2.639 149 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.216 149 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.216 149 G C -0.687 174.134 174.900 -0.131 0.000 1.267 149 G CA 1.250 46.338 45.100 -0.019 0.000 0.801 149 G HN 0.301 nan 8.290 nan 0.000 0.592 150 P HA -0.209 nan 4.420 nan 0.000 0.216 150 P C 2.478 179.530 177.300 -0.413 0.000 1.167 150 P CA 3.024 65.902 63.100 -0.370 0.000 0.914 150 P CB -0.554 30.717 31.700 -0.715 0.000 0.793 151 T N -3.319 110.954 114.554 -0.469 0.000 2.746 151 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 151 T C 1.840 176.389 174.700 -0.252 0.000 1.039 151 T CA 1.557 63.440 62.100 -0.362 0.000 1.142 151 T CB -1.507 67.160 68.868 -0.335 0.000 0.866 151 T HN -0.127 nan 8.240 nan 0.000 0.444 152 V N 1.841 121.611 119.914 -0.241 0.000 2.295 152 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 152 V C 2.963 178.973 176.094 -0.140 0.000 1.049 152 V CA 2.242 64.432 62.300 -0.183 0.000 1.024 152 V CB -0.878 30.830 31.823 -0.191 0.000 0.648 152 V HN 0.571 nan 8.190 nan 0.000 0.447 153 Q N -0.637 119.082 119.800 -0.135 0.000 2.016 153 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 153 Q C 2.330 178.263 176.000 -0.110 0.000 0.978 153 Q CA 1.782 57.522 55.803 -0.105 0.000 0.833 153 Q CB -0.087 28.600 28.738 -0.086 0.000 0.895 153 Q HN 0.453 nan 8.270 nan 0.000 0.427 154 I N 0.733 121.221 120.570 -0.137 0.000 2.194 154 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 154 I C 2.308 178.356 176.117 -0.116 0.000 1.093 154 I CA 1.791 63.017 61.300 -0.123 0.000 1.355 154 I CB -1.667 36.243 38.000 -0.150 0.000 1.046 154 I HN 0.434 nan 8.210 nan 0.000 0.413 155 G N 0.299 109.022 108.800 -0.129 0.000 2.418 155 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 155 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 155 G C 1.747 176.582 174.900 -0.109 0.000 1.158 155 G CA 0.849 45.877 45.100 -0.120 0.000 0.771 155 G HN 0.486 nan 8.290 nan 0.000 0.545 156 G N 0.963 109.704 108.800 -0.098 0.000 2.418 156 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 156 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 156 G C 1.712 176.560 174.900 -0.087 0.000 1.158 156 G CA 1.202 46.251 45.100 -0.086 0.000 0.771 156 G HN 0.480 nan 8.290 nan 0.000 0.545 157 N N 0.557 119.208 118.700 -0.080 0.000 2.188 157 N HA -0.009 4.731 4.740 -0.000 0.000 0.184 157 N C 2.077 177.493 175.510 -0.157 0.000 1.018 157 N CA 0.587 53.599 53.050 -0.063 0.000 0.858 157 N CB -0.116 38.370 38.487 -0.002 0.000 0.989 157 N HN 0.243 nan 8.380 nan 0.000 0.426 158 I N 0.104 120.581 120.570 -0.155 0.000 2.361 158 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 158 I C 2.119 178.102 176.117 -0.223 0.000 1.133 158 I CA 1.222 62.402 61.300 -0.201 0.000 1.413 158 I CB -1.151 36.756 38.000 -0.156 0.000 1.073 158 I HN 0.205 nan 8.210 nan 0.000 0.424 159 G N 0.500 109.195 108.800 -0.175 0.000 2.464 159 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 159 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 159 G C 1.837 176.639 174.900 -0.164 0.000 1.138 159 G CA 0.192 45.199 45.100 -0.156 0.000 0.793 159 G HN 0.207 nan 8.290 nan 0.000 0.539 160 R N 0.260 120.652 120.500 -0.180 0.000 2.062 160 R HA 0.162 4.502 4.340 -0.000 0.000 0.229 160 R C 2.421 178.524 176.300 -0.329 0.000 1.128 160 R CA 1.519 57.529 56.100 -0.151 0.000 0.960 160 R CB -0.690 29.585 30.300 -0.040 0.000 0.855 160 R HN 0.341 nan 8.270 nan 0.000 0.432 161 M N 0.221 119.382 119.600 -0.731 0.000 2.073 161 M HA -0.164 4.315 4.480 -0.000 0.000 0.258 161 M C 1.719 177.726 176.300 -0.487 0.000 1.070 161 M CA 2.441 57.031 55.300 -1.183 0.000 1.103 161 M CB -0.110 31.708 32.600 -1.302 0.000 1.321 161 M HN 0.136 nan 8.290 nan 0.000 0.405 162 V N -0.940 118.805 119.914 -0.282 0.000 3.305 162 V HA -0.099 4.020 4.120 -0.000 0.000 0.269 162 V C 1.895 177.995 176.094 0.010 0.000 1.157 162 V CA 1.085 63.340 62.300 -0.075 0.000 1.157 162 V CB -1.165 30.549 31.823 -0.181 0.000 0.772 162 V HN 0.628 nan 8.190 nan 0.000 0.498 163 L N 0.115 121.314 121.223 -0.039 0.000 2.253 163 L HA 0.234 4.573 4.340 -0.000 0.000 0.205 163 L C 1.957 178.881 176.870 0.090 0.000 1.078 163 L CA 1.641 56.494 54.840 0.022 0.000 0.805 163 L CB -0.304 41.748 42.059 -0.011 0.000 0.963 163 L HN 0.152 nan 8.230 nan 0.000 0.459 164 D N 0.149 120.598 120.400 0.082 0.000 2.107 164 D HA -0.084 4.555 4.640 -0.000 0.000 0.204 164 D C 2.173 178.560 176.300 0.145 0.000 0.978 164 D CA 1.181 55.276 54.000 0.158 0.000 0.852 164 D CB -0.169 40.815 40.800 0.307 0.000 1.008 164 D HN 0.163 nan 8.370 nan 0.000 0.458 165 I N 0.113 120.757 120.570 0.124 0.000 2.597 165 I HA -0.221 3.949 4.170 -0.000 0.000 0.262 165 I C 1.219 177.316 176.117 -0.034 0.000 1.194 165 I CA 1.119 62.461 61.300 0.070 0.000 1.437 165 I CB -0.779 37.258 38.000 0.063 0.000 1.096 165 I HN -0.014 nan 8.210 nan 0.000 0.451 166 F N 0.083 120.034 119.950 0.001 0.000 2.706 166 F HA 0.277 4.804 4.527 -0.000 0.000 0.313 166 F C 0.878 176.686 175.800 0.014 0.000 1.096 166 F CA -0.370 57.635 58.000 0.010 0.000 1.219 166 F CB 0.272 39.279 39.000 0.012 0.000 1.051 166 F HN -0.108 nan 8.300 nan 0.000 0.568 167 R N 0.944 121.532 120.500 0.147 0.000 3.405 167 R HA -0.211 4.128 4.340 -0.000 0.000 0.258 167 R C -0.510 175.846 176.300 0.093 0.000 1.030 167 R CA 0.197 56.355 56.100 0.095 0.000 0.691 167 R CB -2.492 27.840 30.300 0.053 0.000 1.093 167 R HN 0.327 nan 8.270 nan 0.000 0.448 168 L N 1.145 122.431 121.223 0.106 0.000 2.410 168 L HA 0.123 4.462 4.340 -0.000 0.000 0.273 168 L C 0.948 177.847 176.870 0.047 0.000 1.144 168 L CA 0.481 55.366 54.840 0.075 0.000 0.863 168 L CB 0.577 42.672 42.059 0.061 0.000 1.140 168 L HN 0.095 nan 8.230 nan 0.000 0.463 169 K N 2.747 123.170 120.400 0.038 0.000 2.138 169 K HA 0.731 5.051 4.320 -0.000 0.000 0.263 169 K C -0.339 176.273 176.600 0.020 0.000 0.965 169 K CA -0.089 56.214 56.287 0.027 0.000 0.868 169 K CB 1.459 33.975 32.500 0.026 0.000 1.083 169 K HN 0.718 nan 8.250 nan 0.000 0.443 170 G N 2.755 111.563 108.800 0.013 0.000 2.627 170 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.680 170 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.680 170 G C -0.289 174.611 174.900 -0.000 0.000 1.341 170 G CA -0.689 44.420 45.100 0.014 0.000 0.835 170 G HN 0.664 nan 8.290 nan 0.000 0.643 171 D N -0.127 120.282 120.400 0.016 0.000 2.123 171 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 171 D C 2.009 178.353 176.300 0.073 0.000 0.992 171 D CA 1.644 55.659 54.000 0.025 0.000 0.833 171 D CB 0.127 40.987 40.800 0.100 0.000 0.954 171 D HN 0.683 nan 8.370 nan 0.000 0.455 172 E N 0.220 120.465 120.200 0.074 0.000 2.007 172 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 172 E C 1.992 178.619 176.600 0.045 0.000 0.999 172 E CA 1.173 57.615 56.400 0.071 0.000 0.811 172 E CB -0.107 29.620 29.700 0.047 0.000 0.762 172 E HN 0.148 nan 8.360 nan 0.000 0.450 173 A N 1.190 124.022 122.820 0.020 0.000 2.084 173 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 173 A C 2.148 179.722 177.584 -0.017 0.000 1.161 173 A CA 1.738 53.778 52.037 0.004 0.000 0.653 173 A CB -0.579 18.425 19.000 0.007 0.000 0.802 173 A HN 0.264 nan 8.150 nan 0.000 0.457 174 R N -1.687 118.785 120.500 -0.046 0.000 2.080 174 R HA -0.051 4.289 4.340 -0.000 0.000 0.222 174 R C 1.948 178.187 176.300 -0.102 0.000 1.107 174 R CA 1.346 57.385 56.100 -0.102 0.000 0.980 174 R CB -0.318 29.872 30.300 -0.183 0.000 0.879 174 R HN 0.705 nan 8.270 nan 0.000 0.439 175 H N -1.012 118.039 119.070 -0.033 0.000 2.428 175 H HA 0.009 4.564 4.556 -0.000 0.000 0.296 175 H C 1.778 177.068 175.328 -0.063 0.000 1.062 175 H CA 1.777 57.793 56.048 -0.053 0.000 1.350 175 H CB 0.327 30.050 29.762 -0.066 0.000 1.403 175 H HN 0.178 nan 8.280 nan 0.000 0.533 176 T N 0.749 115.344 114.554 0.068 0.000 2.701 176 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 176 T C 2.086 176.776 174.700 -0.017 0.000 1.040 176 T CA 0.796 62.903 62.100 0.012 0.000 1.147 176 T CB -0.143 68.728 68.868 0.005 0.000 0.865 176 T HN 0.205 nan 8.240 nan 0.000 0.426 177 L N 0.543 121.749 121.223 -0.029 0.000 2.093 177 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 177 L C 2.470 179.304 176.870 -0.060 0.000 1.085 177 L CA 0.879 55.686 54.840 -0.056 0.000 0.755 177 L CB -0.651 41.366 42.059 -0.070 0.000 0.904 177 L HN 0.259 nan 8.230 nan 0.000 0.435 178 L N 0.242 121.438 121.223 -0.044 0.000 2.083 178 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 178 L C 2.558 179.396 176.870 -0.053 0.000 1.083 178 L CA 1.926 56.738 54.840 -0.046 0.000 0.752 178 L CB -0.647 41.398 42.059 -0.024 0.000 0.899 178 L HN 0.127 nan 8.230 nan 0.000 0.433 179 A N -1.243 121.550 122.820 -0.045 0.000 1.843 179 A HA -0.161 4.158 4.320 -0.000 0.000 0.213 179 A C 2.345 179.892 177.584 -0.062 0.000 1.202 179 A CA 1.990 53.989 52.037 -0.063 0.000 0.607 179 A CB -1.360 17.602 19.000 -0.063 0.000 0.847 179 A HN 0.546 nan 8.150 nan 0.000 0.445 180 T N -2.109 112.412 114.554 -0.054 0.000 2.778 180 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 180 T C 1.822 176.480 174.700 -0.070 0.000 1.050 180 T CA 1.910 63.977 62.100 -0.056 0.000 1.137 180 T CB -0.907 67.929 68.868 -0.053 0.000 0.860 180 T HN 0.444 nan 8.240 nan 0.000 0.468 181 G N 1.238 109.991 108.800 -0.078 0.000 2.421 181 G HA2 0.081 4.041 3.960 -0.000 0.000 0.216 181 G HA3 0.081 4.041 3.960 -0.000 0.000 0.216 181 G C 1.965 176.813 174.900 -0.086 0.000 1.171 181 G CA 0.809 45.855 45.100 -0.090 0.000 0.775 181 G HN 0.772 nan 8.290 nan 0.000 0.543 182 A N 0.900 123.676 122.820 -0.073 0.000 2.015 182 A HA 0.342 4.662 4.320 -0.000 0.000 0.219 182 A C 2.729 180.298 177.584 -0.025 0.000 1.163 182 A CA 2.066 54.069 52.037 -0.057 0.000 0.646 182 A CB -0.563 18.408 19.000 -0.049 0.000 0.806 182 A HN 0.690 nan 8.150 nan 0.000 0.448 183 A N 0.078 122.883 122.820 -0.025 0.000 1.841 183 A HA 0.216 4.535 4.320 -0.000 0.000 0.214 183 A C 2.515 180.059 177.584 -0.066 0.000 1.195 183 A CA 1.906 53.933 52.037 -0.016 0.000 0.611 183 A CB -1.230 17.748 19.000 -0.037 0.000 0.835 183 A HN 1.114 nan 8.150 nan 0.000 0.443 184 A N -0.524 122.248 122.820 -0.079 0.000 2.032 184 A HA 0.064 4.384 4.320 -0.000 0.000 0.221 184 A C 2.288 179.807 177.584 -0.109 0.000 1.165 184 A CA 2.028 54.011 52.037 -0.090 0.000 0.645 184 A CB -1.286 17.664 19.000 -0.085 0.000 0.807 184 A HN 0.744 nan 8.150 nan 0.000 0.453 185 G N -0.328 108.400 108.800 -0.120 0.000 2.414 185 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.215 185 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.215 185 G C 1.500 176.272 174.900 -0.214 0.000 1.188 185 G CA 1.071 46.075 45.100 -0.160 0.000 0.783 185 G HN 0.484 nan 8.290 nan 0.000 0.537 186 L N 1.087 122.183 121.223 -0.213 0.000 2.056 186 L HA 0.219 4.559 4.340 -0.000 0.000 0.207 186 L C 3.164 179.911 176.870 -0.205 0.000 1.078 186 L CA 1.966 56.639 54.840 -0.278 0.000 0.749 186 L CB -0.519 41.354 42.059 -0.310 0.000 0.901 186 L HN 0.241 nan 8.230 nan 0.000 0.433 187 A N -0.126 122.606 122.820 -0.147 0.000 1.884 187 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 187 A C 2.391 179.859 177.584 -0.194 0.000 1.197 187 A CA 2.218 54.177 52.037 -0.130 0.000 0.637 187 A CB -1.364 17.569 19.000 -0.112 0.000 0.827 187 A HN 0.572 nan 8.150 nan 0.000 0.450 188 A N -0.917 121.788 122.820 -0.190 0.000 2.172 188 A HA 0.313 4.633 4.320 -0.000 0.000 0.216 188 A C 2.250 179.652 177.584 -0.304 0.000 1.154 188 A CA 1.625 53.540 52.037 -0.204 0.000 0.701 188 A CB -0.662 18.299 19.000 -0.065 0.000 0.789 188 A HN 1.052 nan 8.150 nan 0.000 0.465 189 A N -1.701 120.889 122.820 -0.382 0.000 2.016 189 A HA 0.320 4.640 4.320 -0.000 0.000 0.217 189 A C 1.237 178.414 177.584 -0.678 0.000 1.162 189 A CA 0.910 52.597 52.037 -0.583 0.000 0.662 189 A CB -0.273 18.202 19.000 -0.875 0.000 0.812 189 A HN 0.527 nan 8.150 nan 0.000 0.450 190 F N -2.065 117.771 119.950 -0.189 0.000 2.825 190 F HA 0.252 4.778 4.527 -0.001 0.000 0.322 190 F C 0.635 176.260 175.800 -0.292 0.000 1.127 190 F CA -0.190 57.721 58.000 -0.148 0.000 1.164 190 F CB 0.275 39.247 39.000 -0.047 0.000 1.101 190 F HN 0.188 nan 8.300 nan 0.000 0.529 191 N N 2.167 120.616 118.700 -0.418 0.000 2.727 191 N HA -0.234 4.505 4.740 -0.000 0.000 0.249 191 N C -0.448 174.977 175.510 -0.141 0.000 1.048 191 N CA 0.708 53.496 53.050 -0.436 0.000 0.714 191 N CB -0.805 37.463 38.487 -0.364 0.000 0.959 191 N HN 0.374 nan 8.380 nan 0.000 0.544 192 A N 0.213 122.982 122.820 -0.085 0.000 3.056 192 A HA 0.490 4.810 4.320 -0.000 0.000 0.328 192 A C -1.024 176.520 177.584 -0.066 0.000 1.233 192 A CA -0.937 51.078 52.037 -0.038 0.000 0.965 192 A CB 0.733 19.756 19.000 0.038 0.000 1.123 192 A HN 0.239 nan 8.150 nan 0.000 0.502 193 P HA -0.234 nan 4.420 nan 0.000 0.214 193 P C 1.568 178.778 177.300 -0.149 0.000 1.163 193 P CA 1.206 64.235 63.100 -0.118 0.000 0.889 193 P CB 0.088 31.722 31.700 -0.110 0.000 0.790 194 L N -0.522 120.628 121.223 -0.122 0.000 1.994 194 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 194 L C 2.840 179.664 176.870 -0.076 0.000 1.071 194 L CA 1.824 56.592 54.840 -0.119 0.000 0.745 194 L CB -1.649 40.361 42.059 -0.081 0.000 0.892 194 L HN -0.084 nan 8.230 nan 0.000 0.431 195 A N 0.595 123.389 122.820 -0.045 0.000 1.948 195 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 195 A C 2.397 179.989 177.584 0.013 0.000 1.177 195 A CA 2.018 54.051 52.037 -0.007 0.000 0.636 195 A CB -1.464 17.530 19.000 -0.009 0.000 0.815 195 A HN 0.487 nan 8.150 nan 0.000 0.449 196 G N 0.372 109.155 108.800 -0.028 0.000 2.511 196 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 196 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 196 G C 1.487 176.396 174.900 0.015 0.000 1.218 196 G CA 1.248 46.337 45.100 -0.019 0.000 0.788 196 G HN 0.457 nan 8.290 nan 0.000 0.560 197 I N 0.562 121.082 120.570 -0.083 0.000 2.163 197 I HA -0.135 4.035 4.170 -0.000 0.000 0.243 197 I C 2.747 178.851 176.117 -0.021 0.000 1.085 197 I CA 0.848 62.086 61.300 -0.103 0.000 1.347 197 I CB -0.835 37.011 38.000 -0.257 0.000 1.044 197 I HN 0.081 nan 8.210 nan 0.000 0.408 198 L N 0.152 121.378 121.223 0.004 0.000 2.079 198 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 198 L C 2.623 179.551 176.870 0.097 0.000 1.081 198 L CA 1.886 56.750 54.840 0.040 0.000 0.752 198 L CB -1.204 40.880 42.059 0.042 0.000 0.896 198 L HN 0.194 nan 8.230 nan 0.000 0.433 199 F N 0.866 120.787 119.950 -0.049 0.000 2.065 199 F HA -0.282 4.245 4.527 -0.001 0.000 0.298 199 F C 2.376 178.128 175.800 -0.079 0.000 1.112 199 F CA 1.437 59.407 58.000 -0.050 0.000 1.212 199 F CB -0.436 38.521 39.000 -0.071 0.000 0.975 199 F HN -0.030 nan 8.300 nan 0.000 0.476 200 I N 0.881 121.361 120.570 -0.151 0.000 2.163 200 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 200 I C 2.298 178.290 176.117 -0.209 0.000 1.085 200 I CA 1.867 63.021 61.300 -0.245 0.000 1.347 200 I CB -0.828 37.097 38.000 -0.125 0.000 1.044 200 I HN 0.344 nan 8.210 nan 0.000 0.408 201 I N -2.816 117.683 120.570 -0.118 0.000 3.735 201 I HA 0.072 4.242 4.170 -0.000 0.000 0.310 201 I C 1.776 177.837 176.117 -0.093 0.000 1.270 201 I CA 0.815 62.056 61.300 -0.098 0.000 1.207 201 I CB -0.256 37.716 38.000 -0.047 0.000 1.013 201 I HN 0.279 nan 8.210 nan 0.000 0.452 202 E N 1.494 121.631 120.200 -0.106 0.000 2.378 202 E HA -0.069 4.280 4.350 -0.000 0.000 0.200 202 E C 1.492 178.020 176.600 -0.120 0.000 0.882 202 E CA 0.449 56.804 56.400 -0.075 0.000 1.061 202 E CB 0.410 30.112 29.700 0.003 0.000 1.049 202 E HN 0.486 nan 8.360 nan 0.000 0.494 203 E N -0.900 119.181 120.200 -0.199 0.000 2.572 203 E HA 0.129 4.479 4.350 -0.000 0.000 0.220 203 E C 1.344 177.693 176.600 -0.420 0.000 0.945 203 E CA 0.128 56.387 56.400 -0.235 0.000 1.070 203 E CB 0.496 30.144 29.700 -0.087 0.000 1.090 203 E HN 0.108 nan 8.360 nan 0.000 0.506 204 M N 0.815 120.079 119.600 -0.559 0.000 2.514 204 M HA 0.236 4.716 4.480 -0.000 0.000 0.258 204 M C 0.489 176.586 176.300 -0.338 0.000 1.159 204 M CA 0.310 55.272 55.300 -0.564 0.000 1.116 204 M CB 0.025 32.154 32.600 -0.784 0.000 1.333 204 M HN 0.036 nan 8.290 nan 0.000 0.487 205 R N 1.010 121.340 120.500 -0.283 0.000 2.531 205 R HA 0.403 4.743 4.340 -0.000 0.000 0.273 205 R C -2.582 173.589 176.300 -0.214 0.000 1.070 205 R CA -1.607 54.352 56.100 -0.234 0.000 1.112 205 R CB -1.074 29.089 30.300 -0.228 0.000 1.049 205 R HN -0.151 nan 8.270 nan 0.000 0.508 206 P HA -0.109 nan 4.420 nan 0.000 0.255 206 P C -0.360 176.827 177.300 -0.189 0.000 1.161 206 P CA 0.500 63.520 63.100 -0.135 0.000 0.768 206 P CB 0.483 32.096 31.700 -0.145 0.000 0.746 207 Q N 2.439 122.069 119.800 -0.283 0.000 2.369 207 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 207 Q C 0.560 176.046 176.000 -0.857 0.000 0.963 207 Q CA 1.676 57.090 55.803 -0.648 0.000 0.894 207 Q CB -0.183 27.988 28.738 -0.946 0.000 0.965 207 Q HN 0.490 nan 8.270 nan 0.000 0.475 208 F N -1.347 118.590 119.950 -0.022 0.000 2.740 208 F HA 0.281 4.807 4.527 -0.000 0.000 0.304 208 F C 0.694 176.499 175.800 0.008 0.000 1.098 208 F CA -0.483 57.515 58.000 -0.004 0.000 1.258 208 F CB 0.324 39.325 39.000 0.001 0.000 1.061 208 F HN -0.133 nan 8.300 nan 0.000 0.598 209 R N -0.960 119.623 120.500 0.139 0.000 2.902 209 R HA 0.420 4.760 4.340 -0.000 0.000 0.258 209 R C -1.134 175.211 176.300 0.074 0.000 1.071 209 R CA -0.834 55.334 56.100 0.112 0.000 1.024 209 R CB 0.656 31.018 30.300 0.104 0.000 1.184 209 R HN -0.000 nan 8.270 nan 0.000 0.492 210 Y N 1.032 121.319 120.300 -0.021 0.000 2.397 210 Y HA 0.228 4.777 4.550 -0.001 0.000 0.335 210 Y C -0.762 175.093 175.900 -0.073 0.000 1.213 210 Y CA 0.835 58.908 58.100 -0.044 0.000 1.391 210 Y CB 1.059 39.503 38.460 -0.027 0.000 1.293 210 Y HN 0.773 nan 8.280 nan 0.000 0.557 211 T N 5.069 119.082 114.554 -0.902 0.000 2.887 211 T HA 0.435 4.784 4.350 -0.000 0.000 0.292 211 T C -0.679 173.510 174.700 -0.851 0.000 1.087 211 T CA -0.893 60.781 62.100 -0.710 0.000 1.009 211 T CB 1.380 69.907 68.868 -0.568 0.000 1.203 211 T HN 0.425 nan 8.240 nan 0.000 0.518 212 L N 0.606 121.574 121.223 -0.425 0.000 3.108 212 L HA 0.458 4.798 4.340 -0.000 0.000 0.251 212 L C -0.159 176.628 176.870 -0.137 0.000 1.315 212 L CA -0.017 54.687 54.840 -0.228 0.000 1.048 212 L CB -0.824 41.216 42.059 -0.032 0.000 1.432 212 L HN 0.503 nan 8.230 nan 0.000 0.543 213 I N 0.118 120.572 120.570 -0.193 0.000 2.533 213 I HA 0.044 4.214 4.170 -0.000 0.000 0.284 213 I C 0.924 177.001 176.117 -0.067 0.000 1.109 213 I CA 0.219 61.456 61.300 -0.105 0.000 1.412 213 I CB 1.049 38.970 38.000 -0.132 0.000 1.396 213 I HN 0.261 nan 8.210 nan 0.000 0.543 214 S N 7.330 123.014 115.700 -0.026 0.000 2.399 214 S HA 0.252 4.721 4.470 -0.000 0.000 0.301 214 S C 1.387 175.995 174.600 0.015 0.000 1.093 214 S CA -0.860 57.336 58.200 -0.005 0.000 1.077 214 S CB 0.282 63.484 63.200 0.004 0.000 0.980 214 S HN 0.478 nan 8.310 nan 0.000 0.494 215 I N 4.615 125.201 120.570 0.026 0.000 2.530 215 I HA -0.145 4.025 4.170 -0.000 0.000 0.257 215 I C 2.280 178.487 176.117 0.150 0.000 1.179 215 I CA 1.207 62.559 61.300 0.086 0.000 1.440 215 I CB -1.003 37.055 38.000 0.096 0.000 1.087 215 I HN 0.695 nan 8.210 nan 0.000 0.440 216 K N 1.370 121.804 120.400 0.057 0.000 2.103 216 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 216 K C 2.293 178.946 176.600 0.088 0.000 1.052 216 K CA 1.200 57.500 56.287 0.022 0.000 0.945 216 K CB 0.098 32.570 32.500 -0.046 0.000 0.722 216 K HN 0.251 nan 8.250 nan 0.000 0.443 217 A N 0.717 123.570 122.820 0.056 0.000 1.873 217 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 217 A C 2.183 179.798 177.584 0.052 0.000 1.186 217 A CA 1.600 53.660 52.037 0.037 0.000 0.616 217 A CB -0.694 18.312 19.000 0.010 0.000 0.823 217 A HN 0.147 nan 8.150 nan 0.000 0.442 218 V N -1.184 118.768 119.914 0.062 0.000 2.324 218 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 218 V C 2.268 178.392 176.094 0.050 0.000 1.060 218 V CA 2.194 64.515 62.300 0.034 0.000 1.042 218 V CB -1.128 30.709 31.823 0.024 0.000 0.650 218 V HN 0.510 nan 8.190 nan 0.000 0.450 219 F N 0.169 120.099 119.950 -0.034 0.000 2.046 219 F HA -0.202 4.325 4.527 -0.001 0.000 0.297 219 F C 2.243 178.023 175.800 -0.034 0.000 1.123 219 F CA 2.166 60.149 58.000 -0.029 0.000 1.199 219 F CB -0.413 38.573 39.000 -0.024 0.000 0.972 219 F HN 0.026 nan 8.300 nan 0.000 0.474 220 I N -0.491 120.187 120.570 0.180 0.000 2.151 220 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 220 I C 2.731 178.848 176.117 0.000 0.000 1.080 220 I CA 1.561 62.902 61.300 0.069 0.000 1.339 220 I CB -1.381 36.633 38.000 0.023 0.000 1.039 220 I HN 0.257 nan 8.210 nan 0.000 0.409 221 G N 0.575 109.362 108.800 -0.021 0.000 2.440 221 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 221 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 221 G C 1.712 176.577 174.900 -0.059 0.000 1.154 221 G CA 1.032 46.097 45.100 -0.057 0.000 0.767 221 G HN 0.259 nan 8.290 nan 0.000 0.552 222 V N 0.966 120.839 119.914 -0.067 0.000 2.270 222 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 222 V C 2.780 178.836 176.094 -0.063 0.000 1.043 222 V CA 1.606 63.852 62.300 -0.090 0.000 1.014 222 V CB -0.443 31.287 31.823 -0.157 0.000 0.645 222 V HN 0.361 nan 8.190 nan 0.000 0.447 223 I N -0.642 119.903 120.570 -0.042 0.000 2.185 223 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 223 I C 2.538 178.655 176.117 0.001 0.000 1.088 223 I CA 1.645 62.941 61.300 -0.006 0.000 1.347 223 I CB -0.341 37.680 38.000 0.035 0.000 1.041 223 I HN 0.245 nan 8.210 nan 0.000 0.415 224 M N -0.207 119.385 119.600 -0.013 0.000 2.132 224 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 224 M C 2.662 178.964 176.300 0.002 0.000 1.065 224 M CA 2.117 57.408 55.300 -0.014 0.000 1.122 224 M CB -1.525 31.046 32.600 -0.049 0.000 1.365 224 M HN 0.429 nan 8.290 nan 0.000 0.411 225 S N -0.940 114.753 115.700 -0.012 0.000 2.428 225 S HA -0.073 4.397 4.470 -0.000 0.000 0.230 225 S C 1.828 176.458 174.600 0.051 0.000 1.014 225 S CA 1.536 59.738 58.200 0.004 0.000 0.957 225 S CB -0.541 62.639 63.200 -0.034 0.000 0.784 225 S HN 0.452 nan 8.310 nan 0.000 0.499 226 T N 2.514 117.088 114.554 0.034 0.000 2.857 226 T HA 0.196 4.546 4.350 -0.000 0.000 0.266 226 T C 1.694 176.476 174.700 0.136 0.000 1.048 226 T CA 1.244 63.386 62.100 0.069 0.000 1.139 226 T CB -0.377 68.500 68.868 0.016 0.000 0.874 226 T HN 0.384 nan 8.240 nan 0.000 0.455 227 I N 0.971 121.599 120.570 0.096 0.000 2.179 227 I HA -0.193 3.976 4.170 -0.000 0.000 0.242 227 I C 2.523 178.733 176.117 0.155 0.000 1.088 227 I CA 1.019 62.383 61.300 0.108 0.000 1.357 227 I CB -0.329 37.713 38.000 0.069 0.000 1.051 227 I HN 0.187 nan 8.210 nan 0.000 0.409 228 M N -0.374 119.317 119.600 0.152 0.000 2.106 228 M HA -0.282 4.198 4.480 -0.000 0.000 0.259 228 M C 2.465 178.931 176.300 0.277 0.000 1.068 228 M CA 2.010 57.431 55.300 0.203 0.000 1.100 228 M CB -1.472 31.194 32.600 0.111 0.000 1.351 228 M HN 0.294 nan 8.290 nan 0.000 0.404 229 Y N 1.121 121.487 120.300 0.110 0.000 2.200 229 Y HA -0.151 4.399 4.550 -0.001 0.000 0.290 229 Y C 2.377 178.367 175.900 0.150 0.000 1.137 229 Y CA 1.656 59.821 58.100 0.108 0.000 1.163 229 Y CB -0.071 38.418 38.460 0.049 0.000 0.988 229 Y HN 0.102 nan 8.280 nan 0.000 0.518 230 R N 0.134 120.785 120.500 0.251 0.000 2.189 230 R HA -0.073 4.267 4.340 -0.000 0.000 0.218 230 R C 2.044 178.425 176.300 0.136 0.000 1.074 230 R CA 1.050 57.251 56.100 0.169 0.000 0.991 230 R CB -0.359 30.064 30.300 0.205 0.000 0.883 230 R HN 0.457 nan 8.270 nan 0.000 0.457 231 I N -0.203 120.461 120.570 0.158 0.000 2.493 231 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 231 I C 1.138 177.163 176.117 -0.154 0.000 1.160 231 I CA 1.444 62.787 61.300 0.071 0.000 1.445 231 I CB -0.215 37.817 38.000 0.053 0.000 1.086 231 I HN 0.022 nan 8.210 nan 0.000 0.433 232 F N -0.338 119.528 119.950 -0.140 0.000 2.724 232 F HA 0.208 4.735 4.527 -0.000 0.000 0.306 232 F C 1.725 177.240 175.800 -0.475 0.000 1.100 232 F CA 0.059 57.908 58.000 -0.252 0.000 1.255 232 F CB -0.027 38.867 39.000 -0.176 0.000 1.072 232 F HN -0.003 nan 8.300 nan 0.000 0.589 233 N N -0.653 117.776 118.700 -0.452 0.000 2.159 233 N HA 0.005 4.745 4.740 -0.000 0.000 0.217 233 N C -0.191 175.077 175.510 -0.403 0.000 1.223 233 N CA 0.034 52.770 53.050 -0.523 0.000 0.896 233 N CB 0.104 38.059 38.487 -0.887 0.000 1.064 233 N HN 0.319 nan 8.380 nan 0.000 0.518 234 H N 1.851 120.862 119.070 -0.099 0.000 3.119 234 H HA -0.028 4.528 4.556 0.000 0.000 0.334 234 H C 0.280 175.602 175.328 -0.010 0.000 1.042 234 H CA 0.458 56.490 56.048 -0.027 0.000 1.354 234 H CB 0.030 29.773 29.762 -0.032 0.000 1.285 234 H HN 0.036 nan 8.280 nan 0.000 0.601 235 E N -0.716 119.596 120.200 0.187 0.000 2.553 235 E HA -0.121 4.229 4.350 -0.000 0.000 0.264 235 E C -1.055 175.591 176.600 0.076 0.000 1.068 235 E CA 0.797 57.277 56.400 0.134 0.000 0.774 235 E CB -2.639 27.171 29.700 0.182 0.000 1.349 235 E HN 0.601 nan 8.360 nan 0.000 0.404 236 V N -2.729 117.224 119.914 0.065 0.000 2.822 236 V HA 0.589 4.709 4.120 -0.000 0.000 0.275 236 V C 0.070 176.211 176.094 0.078 0.000 1.267 236 V CA -0.488 61.845 62.300 0.055 0.000 0.933 236 V CB 1.359 33.204 31.823 0.037 0.000 1.082 236 V HN 0.430 nan 8.190 nan 0.000 0.465 237 A N 3.889 126.748 122.820 0.065 0.000 2.388 237 A HA 0.771 5.091 4.320 -0.000 0.000 0.257 237 A C 1.092 178.697 177.584 0.035 0.000 1.095 237 A CA -0.404 51.669 52.037 0.060 0.000 0.791 237 A CB 0.651 19.667 19.000 0.026 0.000 1.029 237 A HN 0.992 nan 8.150 nan 0.000 0.489 238 L N 1.519 122.756 121.223 0.023 0.000 2.042 238 L HA -0.112 4.227 4.340 -0.000 0.000 0.210 238 L C 0.384 177.144 176.870 -0.184 0.000 1.076 238 L CA 1.073 55.881 54.840 -0.053 0.000 0.749 238 L CB -0.363 41.629 42.059 -0.112 0.000 0.893 238 L HN 0.548 nan 8.230 nan 0.000 0.432 239 I N -0.708 119.737 120.570 -0.207 0.000 2.569 239 I HA 0.301 4.471 4.170 -0.000 0.000 0.296 239 I C -1.106 174.961 176.117 -0.084 0.000 1.028 239 I CA -0.439 60.753 61.300 -0.180 0.000 1.082 239 I CB 1.964 39.820 38.000 -0.240 0.000 1.264 239 I HN -0.080 nan 8.210 nan 0.000 0.429 240 D N 4.751 125.123 120.400 -0.047 0.000 2.686 240 D HA 0.368 5.008 4.640 -0.000 0.000 0.249 240 D C -0.243 176.047 176.300 -0.018 0.000 1.260 240 D CA -0.204 53.782 54.000 -0.024 0.000 0.910 240 D CB 2.369 43.165 40.800 -0.007 0.000 1.323 240 D HN 0.191 nan 8.370 nan 0.000 0.561 241 V N 2.052 121.956 119.914 -0.017 0.000 3.556 241 V HA 0.418 4.538 4.120 -0.000 0.000 0.287 241 V C 1.163 177.253 176.094 -0.006 0.000 1.422 241 V CA 0.448 62.741 62.300 -0.011 0.000 1.038 241 V CB -0.074 31.742 31.823 -0.013 0.000 0.850 241 V HN 0.879 nan 8.190 nan 0.000 0.437 242 G N 1.641 110.438 108.800 -0.005 0.000 2.860 242 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.553 242 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.553 242 G C -0.434 174.465 174.900 -0.003 0.000 1.439 242 G CA -0.093 45.006 45.100 -0.002 0.000 0.879 242 G HN 0.425 nan 8.290 nan 0.000 0.545 243 K N 0.824 121.224 120.400 -0.001 0.000 2.292 243 K HA 0.492 4.812 4.320 -0.000 0.000 0.290 243 K C 1.224 177.822 176.600 -0.004 0.000 1.083 243 K CA -0.587 55.698 56.287 -0.003 0.000 0.918 243 K CB 0.043 32.542 32.500 -0.001 0.000 1.089 243 K HN 0.447 nan 8.250 nan 0.000 0.473 244 L N 2.183 123.401 121.223 -0.009 0.000 2.456 244 L HA 0.111 4.450 4.340 -0.000 0.000 0.246 244 L C 1.134 177.997 176.870 -0.011 0.000 1.238 244 L CA 0.313 55.149 54.840 -0.007 0.000 0.826 244 L CB 0.318 42.370 42.059 -0.013 0.000 1.150 244 L HN 0.933 nan 8.230 nan 0.000 0.514 245 S N -0.581 115.117 115.700 -0.003 0.000 2.596 245 S HA 0.176 4.646 4.470 -0.000 0.000 0.262 245 S C -0.171 174.410 174.600 -0.032 0.000 1.218 245 S CA -0.654 57.544 58.200 -0.004 0.000 0.998 245 S CB 0.968 64.182 63.200 0.023 0.000 1.060 245 S HN 0.526 nan 8.310 nan 0.000 0.552 246 D N -0.126 120.254 120.400 -0.034 0.000 2.529 246 D HA 0.704 5.343 4.640 -0.000 0.000 0.273 246 D C -0.746 175.510 176.300 -0.073 0.000 1.197 246 D CA -0.180 53.779 54.000 -0.067 0.000 1.070 246 D CB 1.212 41.976 40.800 -0.059 0.000 1.134 246 D HN 0.821 nan 8.370 nan 0.000 0.590 247 A N 0.991 123.745 122.820 -0.110 0.000 2.409 247 A HA 0.568 4.888 4.320 -0.000 0.000 0.300 247 A C -2.469 175.058 177.584 -0.095 0.000 1.273 247 A CA -1.164 50.803 52.037 -0.118 0.000 0.774 247 A CB 0.407 19.260 19.000 -0.246 0.000 1.144 247 A HN 0.268 nan 8.150 nan 0.000 0.472 248 P HA 0.219 nan 4.420 nan 0.000 0.271 248 P C 0.972 178.233 177.300 -0.065 0.000 1.218 248 P CA -0.401 62.665 63.100 -0.056 0.000 0.780 248 P CB 0.672 32.347 31.700 -0.042 0.000 0.901 249 L N 1.333 122.526 121.223 -0.049 0.000 2.131 249 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 249 L C 1.767 178.636 176.870 -0.003 0.000 1.092 249 L CA 1.224 56.047 54.840 -0.029 0.000 0.759 249 L CB -0.942 41.106 42.059 -0.020 0.000 0.903 249 L HN 0.485 nan 8.230 nan 0.000 0.435 250 N N -0.970 117.708 118.700 -0.036 0.000 2.627 250 N HA -0.109 4.631 4.740 -0.000 0.000 0.196 250 N C 0.986 176.418 175.510 -0.130 0.000 1.268 250 N CA 0.980 54.006 53.050 -0.039 0.000 0.904 250 N CB -0.343 38.121 38.487 -0.038 0.000 1.016 250 N HN 0.195 nan 8.380 nan 0.000 0.448 251 T N -0.067 114.417 114.554 -0.117 0.000 2.964 251 T HA 0.287 4.637 4.350 -0.000 0.000 0.249 251 T C 1.731 176.437 174.700 0.011 0.000 1.000 251 T CA -0.364 61.611 62.100 -0.210 0.000 0.992 251 T CB 0.282 69.072 68.868 -0.130 0.000 1.087 251 T HN 0.045 nan 8.240 nan 0.000 0.489 252 L N 1.753 123.054 121.223 0.130 0.000 2.089 252 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 252 L C 2.805 179.819 176.870 0.240 0.000 1.079 252 L CA 1.605 56.557 54.840 0.187 0.000 0.758 252 L CB -0.653 41.454 42.059 0.080 0.000 0.891 252 L HN 0.569 nan 8.230 nan 0.000 0.433 253 W N 0.392 121.736 121.300 0.073 0.000 2.350 253 W HA -0.191 4.469 4.660 -0.001 0.000 0.289 253 W C 1.791 178.376 176.519 0.110 0.000 1.215 253 W CA 0.675 58.063 57.345 0.072 0.000 1.236 253 W CB -1.328 28.150 29.460 0.029 0.000 1.130 253 W HN 0.172 nan 8.180 nan 0.000 0.541 254 L N -0.083 120.707 121.223 -0.722 0.000 2.083 254 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 254 L C 2.677 179.453 176.870 -0.157 0.000 1.083 254 L CA 1.702 56.172 54.840 -0.616 0.000 0.752 254 L CB -1.027 40.616 42.059 -0.692 0.000 0.899 254 L HN -0.131 nan 8.230 nan 0.000 0.433 255 Y N -0.856 119.443 120.300 -0.001 0.000 2.293 255 Y HA -0.234 4.316 4.550 -0.000 0.000 0.291 255 Y C 2.254 178.126 175.900 -0.047 0.000 1.137 255 Y CA 0.894 58.986 58.100 -0.014 0.000 1.202 255 Y CB -0.223 38.202 38.460 -0.059 0.000 0.990 255 Y HN 0.099 nan 8.280 nan 0.000 0.537 256 L N -0.450 120.859 121.223 0.143 0.000 2.093 256 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 256 L C 1.855 178.766 176.870 0.069 0.000 1.085 256 L CA 1.480 56.387 54.840 0.111 0.000 0.755 256 L CB -0.729 41.419 42.059 0.149 0.000 0.904 256 L HN 0.090 nan 8.230 nan 0.000 0.435 257 I N -0.689 119.915 120.570 0.057 0.000 2.179 257 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 257 I C 2.280 178.330 176.117 -0.112 0.000 1.088 257 I CA 1.176 62.505 61.300 0.048 0.000 1.357 257 I CB -0.781 37.302 38.000 0.139 0.000 1.051 257 I HN 0.296 nan 8.210 nan 0.000 0.409 258 L N 0.620 121.605 121.223 -0.397 0.000 2.127 258 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 258 L C 2.302 179.094 176.870 -0.129 0.000 1.089 258 L CA 2.057 56.505 54.840 -0.653 0.000 0.757 258 L CB -1.404 40.105 42.059 -0.917 0.000 0.899 258 L HN 0.276 nan 8.230 nan 0.000 0.434 259 G N -0.384 108.407 108.800 -0.015 0.000 2.408 259 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 259 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 259 G C 1.476 176.435 174.900 0.097 0.000 1.150 259 G CA 0.790 45.941 45.100 0.084 0.000 0.776 259 G HN 0.360 nan 8.290 nan 0.000 0.542 260 I N 1.257 121.858 120.570 0.053 0.000 2.394 260 I HA -0.047 4.123 4.170 -0.000 0.000 0.251 260 I C 2.727 178.870 176.117 0.044 0.000 1.136 260 I CA 0.647 61.985 61.300 0.064 0.000 1.425 260 I CB -0.865 37.175 38.000 0.067 0.000 1.079 260 I HN 0.218 nan 8.210 nan 0.000 0.425 261 I N -0.132 120.422 120.570 -0.027 0.000 2.202 261 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 261 I C 2.524 178.591 176.117 -0.084 0.000 1.091 261 I CA 1.522 62.759 61.300 -0.105 0.000 1.368 261 I CB -0.603 37.253 38.000 -0.240 0.000 1.058 261 I HN 0.025 nan 8.210 nan 0.000 0.410 262 F N 1.321 121.243 119.950 -0.047 0.000 2.269 262 F HA -0.103 4.424 4.527 -0.000 0.000 0.301 262 F C 2.542 178.372 175.800 0.051 0.000 1.082 262 F CA 1.252 59.259 58.000 0.011 0.000 1.360 262 F CB -0.549 38.426 39.000 -0.042 0.000 1.041 262 F HN 0.047 nan 8.300 nan 0.000 0.512 263 G N 0.334 109.254 108.800 0.201 0.000 2.448 263 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 263 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 263 G C 1.486 176.445 174.900 0.098 0.000 1.135 263 G CA 1.047 46.222 45.100 0.125 0.000 0.784 263 G HN 0.470 nan 8.290 nan 0.000 0.543 264 I N -3.336 117.296 120.570 0.104 0.000 2.852 264 I HA 0.369 4.539 4.170 -0.000 0.000 0.264 264 I C 2.144 178.310 176.117 0.082 0.000 1.179 264 I CA 0.306 61.653 61.300 0.079 0.000 1.480 264 I CB -0.282 37.762 38.000 0.073 0.000 1.111 264 I HN 0.003 nan 8.210 nan 0.000 0.441 265 F N 2.253 122.171 119.950 -0.052 0.000 2.270 265 F HA 0.327 4.854 4.527 -0.000 0.000 0.295 265 F C 2.315 178.070 175.800 -0.076 0.000 1.087 265 F CA 0.971 58.917 58.000 -0.089 0.000 1.365 265 F CB -0.608 38.331 39.000 -0.101 0.000 1.056 265 F HN 0.100 nan 8.300 nan 0.000 0.506 266 G N 1.158 109.972 108.800 0.022 0.000 2.476 266 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 266 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 266 G C -0.722 174.077 174.900 -0.168 0.000 1.164 266 G CA 1.092 46.151 45.100 -0.069 0.000 0.768 266 G HN 0.295 nan 8.290 nan 0.000 0.560 267 P HA -0.001 nan 4.420 nan 0.000 0.217 267 P C 2.067 179.209 177.300 -0.264 0.000 1.150 267 P CA 0.530 63.541 63.100 -0.148 0.000 0.832 267 P CB 0.017 31.664 31.700 -0.088 0.000 0.787 268 I N -1.587 118.735 120.570 -0.414 0.000 2.127 268 I HA -0.266 3.904 4.170 -0.000 0.000 0.241 268 I C 2.211 177.738 176.117 -0.983 0.000 1.075 268 I CA 1.810 62.686 61.300 -0.707 0.000 1.334 268 I CB -1.211 36.267 38.000 -0.870 0.000 1.040 268 I HN -0.051 nan 8.210 nan 0.000 0.405 269 F N 2.278 121.546 119.950 -1.136 0.000 2.091 269 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 269 F C 2.374 177.955 175.800 -0.364 0.000 1.103 269 F CA 1.935 59.458 58.000 -0.795 0.000 1.228 269 F CB -0.673 37.930 39.000 -0.663 0.000 0.984 269 F HN 0.172 nan 8.300 nan 0.000 0.477 270 N N -0.019 118.583 118.700 -0.163 0.000 2.061 270 N HA -0.243 4.497 4.740 -0.000 0.000 0.193 270 N C 1.819 177.252 175.510 -0.128 0.000 1.030 270 N CA 1.573 54.544 53.050 -0.132 0.000 0.856 270 N CB -0.217 38.217 38.487 -0.088 0.000 1.023 270 N HN 0.328 nan 8.380 nan 0.000 0.424 271 K N 0.310 120.623 120.400 -0.146 0.000 2.020 271 K HA -0.185 4.135 4.320 -0.000 0.000 0.212 271 K C 1.946 178.597 176.600 0.085 0.000 1.050 271 K CA 1.498 57.760 56.287 -0.042 0.000 0.929 271 K CB -0.174 32.295 32.500 -0.050 0.000 0.714 271 K HN 0.285 nan 8.250 nan 0.000 0.443 272 W N 0.359 121.554 121.300 -0.174 0.000 2.333 272 W HA -0.177 4.483 4.660 -0.000 0.000 0.316 272 W C 2.254 178.630 176.519 -0.240 0.000 1.215 272 W CA 0.474 57.695 57.345 -0.206 0.000 1.278 272 W CB -1.412 27.894 29.460 -0.257 0.000 1.154 272 W HN -0.025 nan 8.180 nan 0.000 0.486 273 V N 0.899 120.744 119.914 -0.115 0.000 2.332 273 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 273 V C 2.132 178.223 176.094 -0.005 0.000 1.055 273 V CA 1.944 64.176 62.300 -0.114 0.000 1.038 273 V CB -0.628 31.079 31.823 -0.193 0.000 0.651 273 V HN 0.138 nan 8.190 nan 0.000 0.450 274 L N 0.372 121.594 121.223 -0.001 0.000 2.005 274 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 274 L C 2.737 179.616 176.870 0.015 0.000 1.072 274 L CA 1.843 56.694 54.840 0.018 0.000 0.744 274 L CB -1.300 40.768 42.059 0.014 0.000 0.895 274 L HN 0.489 nan 8.230 nan 0.000 0.433 275 G N -0.831 107.984 108.800 0.025 0.000 2.470 275 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 275 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 275 G C 1.510 176.404 174.900 -0.011 0.000 1.121 275 G CA 0.534 45.643 45.100 0.015 0.000 0.766 275 G HN 0.148 nan 8.290 nan 0.000 0.553 276 M N 0.146 119.739 119.600 -0.012 0.000 2.254 276 M HA 0.131 4.611 4.480 -0.000 0.000 0.265 276 M C 2.495 178.779 176.300 -0.027 0.000 1.066 276 M CA 1.104 56.383 55.300 -0.035 0.000 1.123 276 M CB -0.426 32.152 32.600 -0.036 0.000 1.388 276 M HN 0.279 nan 8.290 nan 0.000 0.425 277 Q N -0.194 119.602 119.800 -0.007 0.000 2.050 277 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 277 Q C 1.653 177.648 176.000 -0.009 0.000 0.980 277 Q CA 1.703 57.508 55.803 0.003 0.000 0.840 277 Q CB -0.161 28.585 28.738 0.014 0.000 0.898 277 Q HN 0.495 nan 8.270 nan 0.000 0.424 278 D N 0.658 121.046 120.400 -0.021 0.000 2.092 278 D HA -0.199 4.440 4.640 -0.000 0.000 0.193 278 D C 1.922 178.196 176.300 -0.043 0.000 0.994 278 D CA 1.003 54.983 54.000 -0.033 0.000 0.828 278 D CB -0.264 40.518 40.800 -0.030 0.000 0.963 278 D HN 0.174 nan 8.370 nan 0.000 0.450 279 L N 0.469 121.657 121.223 -0.058 0.000 2.083 279 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 279 L C 2.325 179.110 176.870 -0.142 0.000 1.083 279 L CA 0.922 55.711 54.840 -0.086 0.000 0.752 279 L CB -0.086 41.924 42.059 -0.081 0.000 0.899 279 L HN -0.014 nan 8.230 nan 0.000 0.433 280 L N -1.307 119.825 121.223 -0.151 0.000 2.376 280 L HA -0.184 4.156 4.340 -0.000 0.000 0.219 280 L C 2.240 178.768 176.870 -0.570 0.000 1.133 280 L CA 0.633 55.318 54.840 -0.258 0.000 0.816 280 L CB -0.481 41.489 42.059 -0.149 0.000 0.933 280 L HN 0.376 nan 8.230 nan 0.000 0.449 281 H N 0.226 118.982 119.070 -0.523 0.000 2.462 281 H HA -0.043 4.513 4.556 -0.000 0.000 0.292 281 H C 2.266 177.203 175.328 -0.653 0.000 1.049 281 H CA 1.215 56.849 56.048 -0.690 0.000 1.334 281 H CB 0.277 29.885 29.762 -0.257 0.000 1.404 281 H HN 0.129 nan 8.280 nan 0.000 0.544 282 R N -0.723 119.570 120.500 -0.344 0.000 2.148 282 R HA -0.028 4.312 4.340 -0.000 0.000 0.223 282 R C 2.056 178.164 176.300 -0.320 0.000 1.088 282 R CA 1.050 57.002 56.100 -0.247 0.000 0.985 282 R CB 0.051 30.267 30.300 -0.140 0.000 0.880 282 R HN 0.186 nan 8.270 nan 0.000 0.451 283 V N 1.192 120.845 119.914 -0.436 0.000 2.626 283 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 283 V C 1.440 177.352 176.094 -0.303 0.000 1.067 283 V CA 1.930 64.033 62.300 -0.328 0.000 1.081 283 V CB -0.458 31.193 31.823 -0.287 0.000 0.686 283 V HN 0.537 nan 8.190 nan 0.000 0.468 284 H N -2.264 116.613 119.070 -0.322 0.000 3.170 284 H HA 0.443 4.999 4.556 -0.000 0.000 0.264 284 H C 1.589 176.744 175.328 -0.287 0.000 1.113 284 H CA -0.050 55.824 56.048 -0.290 0.000 1.194 284 H CB -0.252 29.290 29.762 -0.367 0.000 1.553 284 H HN 0.183 nan 8.280 nan 0.000 0.538 285 G N 0.529 109.175 108.800 -0.256 0.000 2.200 285 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.268 285 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.268 285 G C 1.398 176.238 174.900 -0.100 0.000 0.986 285 G CA 1.223 46.226 45.100 -0.163 0.000 0.677 285 G HN 1.636 nan 8.290 nan 0.000 0.532 286 G N -1.177 107.574 108.800 -0.083 0.000 2.179 286 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 286 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 286 G C 0.113 175.161 174.900 0.246 0.000 0.990 286 G CA 0.684 45.868 45.100 0.141 0.000 0.646 286 G HN 1.763 nan 8.290 nan 0.000 0.517 287 N N 0.832 119.631 118.700 0.165 0.000 2.405 287 N HA 0.369 5.109 4.740 -0.000 0.000 0.260 287 N C 1.540 177.160 175.510 0.183 0.000 1.152 287 N CA 0.171 53.307 53.050 0.143 0.000 0.948 287 N CB 0.315 38.862 38.487 0.099 0.000 1.111 287 N HN 0.318 nan 8.380 nan 0.000 0.485 288 I N 2.533 123.188 120.570 0.141 0.000 2.623 288 I HA -0.286 3.884 4.170 -0.000 0.000 0.261 288 I C 0.749 176.960 176.117 0.156 0.000 1.204 288 I CA 1.282 62.652 61.300 0.117 0.000 1.444 288 I CB 0.097 38.122 38.000 0.043 0.000 1.094 288 I HN 0.594 nan 8.210 nan 0.000 0.451 289 T N -0.100 114.534 114.554 0.134 0.000 3.010 289 T HA -0.014 4.335 4.350 -0.000 0.000 0.252 289 T C 1.761 176.530 174.700 0.114 0.000 1.047 289 T CA 0.600 62.769 62.100 0.114 0.000 1.140 289 T CB 0.121 69.035 68.868 0.077 0.000 0.885 289 T HN 0.290 nan 8.240 nan 0.000 0.464 290 K N 0.029 120.503 120.400 0.123 0.000 2.228 290 K HA 0.002 4.322 4.320 -0.000 0.000 0.202 290 K C 1.910 178.604 176.600 0.156 0.000 1.051 290 K CA 0.458 56.812 56.287 0.112 0.000 0.960 290 K CB 0.061 32.619 32.500 0.097 0.000 0.743 290 K HN 0.294 nan 8.250 nan 0.000 0.458 291 W N 1.060 122.330 121.300 -0.050 0.000 2.413 291 W HA -0.128 4.532 4.660 -0.000 0.000 0.315 291 W C 1.641 178.100 176.519 -0.100 0.000 1.186 291 W CA 0.964 58.215 57.345 -0.156 0.000 1.326 291 W CB -0.561 28.693 29.460 -0.343 0.000 1.153 291 W HN -0.251 nan 8.180 nan 0.000 0.489 292 V N 1.228 121.298 119.914 0.260 0.000 2.568 292 V HA -0.297 3.823 4.120 -0.000 0.000 0.253 292 V C 2.359 178.458 176.094 0.009 0.000 1.072 292 V CA 1.423 63.800 62.300 0.128 0.000 1.084 292 V CB -0.905 31.027 31.823 0.181 0.000 0.676 292 V HN 0.124 nan 8.190 nan 0.000 0.469 293 L N -1.277 119.968 121.223 0.037 0.000 2.068 293 L HA -0.116 4.224 4.340 -0.000 0.000 0.204 293 L C 2.456 179.304 176.870 -0.037 0.000 1.076 293 L CA 1.651 56.497 54.840 0.010 0.000 0.753 293 L CB -0.420 41.658 42.059 0.033 0.000 0.910 293 L HN 0.310 nan 8.230 nan 0.000 0.439 294 M N -0.186 119.398 119.600 -0.028 0.000 2.202 294 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 294 M C 1.979 178.160 176.300 -0.199 0.000 1.063 294 M CA 1.979 57.246 55.300 -0.056 0.000 1.097 294 M CB -0.392 32.204 32.600 -0.006 0.000 1.382 294 M HN 0.298 nan 8.290 nan 0.000 0.413 295 G N -0.681 107.835 108.800 -0.473 0.000 2.414 295 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 295 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 295 G C 1.362 175.881 174.900 -0.636 0.000 1.188 295 G CA 0.752 45.044 45.100 -1.346 0.000 0.783 295 G HN 0.592 nan 8.290 nan 0.000 0.537 296 G N 0.673 109.274 108.800 -0.332 0.000 2.559 296 G HA2 0.162 4.122 3.960 -0.000 0.000 0.216 296 G HA3 0.162 4.122 3.960 -0.000 0.000 0.216 296 G C 1.797 176.632 174.900 -0.108 0.000 1.126 296 G CA 1.414 46.440 45.100 -0.123 0.000 0.778 296 G HN 0.640 nan 8.290 nan 0.000 0.543 297 A N 0.902 123.672 122.820 -0.085 0.000 1.840 297 A HA 0.141 4.460 4.320 -0.000 0.000 0.214 297 A C 2.236 179.766 177.584 -0.090 0.000 1.198 297 A CA 1.223 53.263 52.037 0.005 0.000 0.608 297 A CB -0.328 18.692 19.000 0.034 0.000 0.839 297 A HN 0.216 nan 8.150 nan 0.000 0.443 298 I N 0.654 121.177 120.570 -0.079 0.000 2.163 298 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 298 I C 2.655 178.722 176.117 -0.083 0.000 1.085 298 I CA 1.466 62.739 61.300 -0.044 0.000 1.347 298 I CB -1.102 36.913 38.000 0.025 0.000 1.044 298 I HN 0.319 nan 8.210 nan 0.000 0.408 299 G N -0.282 108.468 108.800 -0.083 0.000 2.448 299 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.219 299 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.219 299 G C 1.791 176.533 174.900 -0.262 0.000 1.127 299 G CA 0.805 45.861 45.100 -0.074 0.000 0.766 299 G HN 0.531 nan 8.290 nan 0.000 0.552 300 G N 0.918 109.391 108.800 -0.545 0.000 2.394 300 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.214 300 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.214 300 G C 1.710 175.999 174.900 -1.019 0.000 1.176 300 G CA 0.957 45.270 45.100 -1.310 0.000 0.786 300 G HN 0.409 nan 8.290 nan 0.000 0.533 301 L N 1.062 121.951 121.223 -0.557 0.000 1.990 301 L HA -0.143 4.197 4.340 -0.000 0.000 0.213 301 L C 2.786 179.605 176.870 -0.086 0.000 1.072 301 L CA 1.897 56.647 54.840 -0.150 0.000 0.755 301 L CB -1.109 40.932 42.059 -0.029 0.000 0.889 301 L HN 0.268 nan 8.230 nan 0.000 0.432 302 C N 0.330 119.577 119.300 -0.089 0.000 2.367 302 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 302 C C 2.755 177.739 174.990 -0.009 0.000 1.195 302 C CA 1.136 60.139 59.018 -0.026 0.000 1.756 302 C CB -2.080 25.654 27.740 -0.010 0.000 2.046 302 C HN 0.794 nan 8.230 nan 0.000 0.453 303 G N -0.724 108.044 108.800 -0.053 0.000 2.509 303 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 303 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 303 G C 1.496 176.426 174.900 0.051 0.000 1.124 303 G CA 0.714 45.811 45.100 -0.005 0.000 0.776 303 G HN 0.538 nan 8.290 nan 0.000 0.547 304 L N -0.163 121.090 121.223 0.049 0.000 2.049 304 L HA 0.253 4.593 4.340 -0.000 0.000 0.203 304 L C 2.683 179.662 176.870 0.182 0.000 1.074 304 L CA 1.003 55.924 54.840 0.135 0.000 0.749 304 L CB -0.196 41.976 42.059 0.188 0.000 0.907 304 L HN 0.136 nan 8.230 nan 0.000 0.439 305 L N -0.387 120.916 121.223 0.133 0.000 2.083 305 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 305 L C 2.273 179.229 176.870 0.142 0.000 1.083 305 L CA 1.121 56.041 54.840 0.134 0.000 0.752 305 L CB -1.117 40.996 42.059 0.090 0.000 0.899 305 L HN 0.487 nan 8.230 nan 0.000 0.433 306 G N -1.537 107.343 108.800 0.133 0.000 2.653 306 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.212 306 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.212 306 G C 1.066 176.088 174.900 0.204 0.000 1.138 306 G CA 0.351 45.532 45.100 0.135 0.000 0.782 306 G HN 0.366 nan 8.290 nan 0.000 0.535 307 F N -0.320 119.669 119.950 0.065 0.000 2.496 307 F HA 0.137 4.664 4.527 -0.000 0.000 0.274 307 F C 2.173 178.032 175.800 0.097 0.000 0.924 307 F CA 0.656 58.701 58.000 0.075 0.000 1.147 307 F CB 0.111 39.149 39.000 0.063 0.000 0.969 307 F HN 0.006 nan 8.300 nan 0.000 0.749 308 V N -0.616 119.419 119.914 0.201 0.000 3.306 308 V HA 0.513 4.632 4.120 -0.000 0.000 0.264 308 V C 0.461 176.600 176.094 0.075 0.000 1.149 308 V CA 0.993 63.370 62.300 0.128 0.000 1.143 308 V CB -0.658 31.309 31.823 0.240 0.000 0.767 308 V HN 0.481 nan 8.190 nan 0.000 0.476 309 A N -0.058 122.817 122.820 0.092 0.000 3.068 309 A HA 0.619 4.939 4.320 -0.000 0.000 0.269 309 A C -1.712 175.941 177.584 0.114 0.000 1.259 309 A CA -0.206 51.907 52.037 0.128 0.000 0.938 309 A CB 0.189 19.333 19.000 0.239 0.000 1.433 309 A HN 0.287 nan 8.150 nan 0.000 0.664 310 P HA -0.196 nan 4.420 nan 0.000 0.218 310 P C 1.500 178.851 177.300 0.084 0.000 1.146 310 P CA 2.047 65.193 63.100 0.076 0.000 0.820 310 P CB 0.287 32.021 31.700 0.057 0.000 0.778 311 A N -0.959 121.914 122.820 0.087 0.000 2.208 311 A HA -0.027 4.293 4.320 -0.000 0.000 0.209 311 A C 1.998 179.594 177.584 0.019 0.000 1.161 311 A CA 1.567 53.641 52.037 0.061 0.000 0.782 311 A CB -1.375 17.635 19.000 0.017 0.000 0.816 311 A HN 0.341 nan 8.150 nan 0.000 0.477 312 T N -3.906 110.660 114.554 0.019 0.000 3.051 312 T HA 0.183 4.532 4.350 -0.000 0.000 0.255 312 T C 1.104 175.802 174.700 -0.003 0.000 1.085 312 T CA 0.851 62.925 62.100 -0.043 0.000 1.109 312 T CB -0.102 68.722 68.868 -0.073 0.000 0.921 312 T HN 0.216 nan 8.240 nan 0.000 0.488 313 S N -0.616 115.105 115.700 0.034 0.000 2.768 313 S HA 0.686 5.155 4.470 -0.000 0.000 0.300 313 S C 0.572 175.201 174.600 0.049 0.000 1.122 313 S CA 0.349 58.574 58.200 0.043 0.000 0.995 313 S CB 0.688 63.922 63.200 0.057 0.000 1.195 313 S HN 1.393 nan 8.310 nan 0.000 0.547 314 G N -0.100 108.729 108.800 0.049 0.000 2.796 314 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.571 314 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.571 314 G C 0.712 175.631 174.900 0.032 0.000 1.370 314 G CA 0.028 45.157 45.100 0.048 0.000 0.856 314 G HN 1.372 nan 8.290 nan 0.000 0.538 315 G N -1.367 107.439 108.800 0.010 0.000 2.404 315 G HA2 0.407 4.367 3.960 -0.000 0.000 0.215 315 G HA3 0.407 4.367 3.960 -0.000 0.000 0.215 315 G C 1.873 176.739 174.900 -0.056 0.000 1.174 315 G CA 2.412 47.476 45.100 -0.059 0.000 0.780 315 G HN 2.695 nan 8.290 nan 0.000 0.537 316 G N -1.002 107.811 108.800 0.021 0.000 2.480 316 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.193 316 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.193 316 G C 1.232 176.287 174.900 0.258 0.000 1.004 316 G CA 0.318 45.481 45.100 0.105 0.000 0.696 316 G HN 0.344 nan 8.290 nan 0.000 0.478 317 F N 1.650 121.671 119.950 0.119 0.000 2.236 317 F HA -0.196 4.331 4.527 -0.000 0.000 0.302 317 F C 2.641 178.507 175.800 0.111 0.000 1.073 317 F CA 1.125 59.196 58.000 0.117 0.000 1.336 317 F CB -0.080 38.998 39.000 0.129 0.000 1.040 317 F HN 0.161 nan 8.300 nan 0.000 0.507 318 N N 1.213 120.095 118.700 0.304 0.000 2.084 318 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 318 N C 1.785 177.421 175.510 0.210 0.000 1.030 318 N CA 1.597 54.777 53.050 0.217 0.000 0.849 318 N CB -0.735 37.861 38.487 0.182 0.000 1.012 318 N HN 0.379 nan 8.380 nan 0.000 0.423 319 L N -1.651 119.722 121.223 0.251 0.000 2.610 319 L HA 0.254 4.594 4.340 -0.000 0.000 0.232 319 L C 1.769 178.811 176.870 0.286 0.000 1.149 319 L CA 0.548 55.583 54.840 0.325 0.000 0.872 319 L CB -0.345 41.949 42.059 0.392 0.000 0.992 319 L HN -0.041 nan 8.230 nan 0.000 0.447 320 I N 0.783 121.484 120.570 0.217 0.000 2.090 320 I HA -0.122 4.048 4.170 -0.000 0.000 0.236 320 I C -0.034 176.145 176.117 0.104 0.000 1.064 320 I CA 1.419 62.816 61.300 0.162 0.000 1.324 320 I CB -1.238 36.839 38.000 0.128 0.000 1.044 320 I HN 0.231 nan 8.210 nan 0.000 0.399 321 P HA -0.202 nan 4.420 nan 0.000 0.217 321 P C 1.718 179.011 177.300 -0.011 0.000 1.151 321 P CA 1.684 64.797 63.100 0.022 0.000 0.849 321 P CB -0.069 31.641 31.700 0.017 0.000 0.787 322 I N -1.511 119.046 120.570 -0.021 0.000 2.353 322 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 322 I C 2.222 178.141 176.117 -0.330 0.000 1.119 322 I CA 1.320 62.491 61.300 -0.215 0.000 1.417 322 I CB -0.820 37.017 38.000 -0.272 0.000 1.078 322 I HN -0.071 nan 8.210 nan 0.000 0.421 323 A N 0.825 123.627 122.820 -0.030 0.000 1.929 323 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 323 A C 2.359 179.986 177.584 0.073 0.000 1.176 323 A CA 1.971 54.088 52.037 0.132 0.000 0.628 323 A CB -0.938 18.299 19.000 0.395 0.000 0.816 323 A HN 0.354 nan 8.150 nan 0.000 0.444 324 T N 0.551 115.141 114.554 0.061 0.000 2.833 324 T HA -0.008 4.342 4.350 -0.000 0.000 0.269 324 T C 2.051 176.765 174.700 0.024 0.000 1.054 324 T CA 1.336 63.468 62.100 0.055 0.000 1.135 324 T CB -0.353 68.540 68.868 0.042 0.000 0.869 324 T HN 0.557 nan 8.240 nan 0.000 0.466 325 A N 0.676 123.484 122.820 -0.020 0.000 2.121 325 A HA 0.413 4.733 4.320 -0.000 0.000 0.218 325 A C 1.974 179.539 177.584 -0.032 0.000 1.154 325 A CA 1.043 53.060 52.037 -0.032 0.000 0.679 325 A CB -0.957 18.005 19.000 -0.064 0.000 0.795 325 A HN 0.863 nan 8.150 nan 0.000 0.458 326 G N -0.650 108.129 108.800 -0.034 0.000 2.182 326 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 326 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 326 G C 0.319 175.187 174.900 -0.054 0.000 1.042 326 G CA 0.470 45.566 45.100 -0.007 0.000 0.775 326 G HN 0.661 nan 8.290 nan 0.000 0.501 327 N N -1.104 117.489 118.700 -0.179 0.000 2.422 327 N HA 0.195 4.935 4.740 -0.000 0.000 0.181 327 N C 0.172 175.561 175.510 -0.201 0.000 1.080 327 N CA -0.039 52.876 53.050 -0.226 0.000 0.893 327 N CB 0.138 38.432 38.487 -0.321 0.000 0.973 327 N HN 0.359 nan 8.380 nan 0.000 0.456 328 F N 1.346 121.322 119.950 0.044 0.000 2.375 328 F HA 0.203 4.730 4.527 -0.000 0.000 0.333 328 F C 1.327 177.149 175.800 0.036 0.000 1.104 328 F CA -1.713 56.315 58.000 0.048 0.000 1.149 328 F CB 0.759 39.801 39.000 0.069 0.000 1.190 328 F HN -0.135 nan 8.300 nan 0.000 0.533 329 S N 2.686 118.532 115.700 0.243 0.000 2.617 329 S HA 0.092 4.562 4.470 -0.000 0.000 0.255 329 S C 1.106 175.780 174.600 0.124 0.000 1.318 329 S CA -0.435 57.843 58.200 0.130 0.000 0.978 329 S CB 0.469 63.720 63.200 0.085 0.000 0.961 329 S HN 0.793 nan 8.310 nan 0.000 0.582 330 M N 1.325 120.966 119.600 0.068 0.000 2.236 330 M HA 0.210 4.690 4.480 -0.000 0.000 0.266 330 M C 1.854 178.184 176.300 0.050 0.000 1.070 330 M CA 2.088 57.416 55.300 0.046 0.000 1.137 330 M CB -1.238 31.367 32.600 0.008 0.000 1.378 330 M HN 0.827 nan 8.290 nan 0.000 0.426 331 G N 0.601 109.429 108.800 0.047 0.000 2.459 331 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 331 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 331 G C 1.464 176.417 174.900 0.088 0.000 1.183 331 G CA 1.284 46.415 45.100 0.053 0.000 0.776 331 G HN 0.514 nan 8.290 nan 0.000 0.552 332 M N 0.407 120.054 119.600 0.079 0.000 2.144 332 M HA 0.041 4.521 4.480 -0.000 0.000 0.260 332 M C 2.331 178.682 176.300 0.085 0.000 1.067 332 M CA 1.268 56.618 55.300 0.084 0.000 1.095 332 M CB -0.434 32.211 32.600 0.075 0.000 1.365 332 M HN 0.187 nan 8.290 nan 0.000 0.406 333 L N -1.399 119.870 121.223 0.077 0.000 2.093 333 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 333 L C 2.172 179.095 176.870 0.088 0.000 1.085 333 L CA 0.828 55.703 54.840 0.059 0.000 0.755 333 L CB -0.670 41.442 42.059 0.089 0.000 0.904 333 L HN 0.178 nan 8.230 nan 0.000 0.435 334 V N -0.652 119.322 119.914 0.100 0.000 2.453 334 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 334 V C 2.124 178.329 176.094 0.184 0.000 1.048 334 V CA 1.603 63.974 62.300 0.119 0.000 1.049 334 V CB -0.613 31.262 31.823 0.086 0.000 0.672 334 V HN 0.339 nan 8.190 nan 0.000 0.457 335 F N 0.785 120.758 119.950 0.039 0.000 2.031 335 F HA -0.201 4.325 4.527 -0.001 0.000 0.295 335 F C 2.335 178.150 175.800 0.025 0.000 1.133 335 F CA 1.924 59.939 58.000 0.025 0.000 1.188 335 F CB -0.229 38.765 39.000 -0.009 0.000 0.974 335 F HN -0.024 nan 8.300 nan 0.000 0.473 336 I N 0.142 120.661 120.570 -0.085 0.000 2.181 336 I HA -0.356 3.814 4.170 -0.000 0.000 0.247 336 I C 2.445 178.482 176.117 -0.134 0.000 1.081 336 I CA 1.851 63.032 61.300 -0.199 0.000 1.340 336 I CB -1.456 36.464 38.000 -0.133 0.000 1.036 336 I HN 0.293 nan 8.210 nan 0.000 0.417 337 F N 1.457 121.325 119.950 -0.137 0.000 2.031 337 F HA -0.207 4.319 4.527 -0.001 0.000 0.295 337 F C 2.563 178.319 175.800 -0.073 0.000 1.133 337 F CA 1.727 59.676 58.000 -0.085 0.000 1.188 337 F CB -0.644 38.314 39.000 -0.070 0.000 0.974 337 F HN -0.230 nan 8.300 nan 0.000 0.473 338 V N 0.646 120.550 119.914 -0.015 0.000 2.252 338 V HA -0.379 3.741 4.120 -0.000 0.000 0.249 338 V C 2.723 178.693 176.094 -0.206 0.000 1.056 338 V CA 2.060 64.309 62.300 -0.085 0.000 1.022 338 V CB -1.603 30.226 31.823 0.010 0.000 0.641 338 V HN 0.531 nan 8.190 nan 0.000 0.445 339 A N -0.364 122.244 122.820 -0.353 0.000 1.892 339 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 339 A C 2.358 179.804 177.584 -0.230 0.000 1.188 339 A CA 2.307 54.117 52.037 -0.378 0.000 0.631 339 A CB -0.562 18.010 19.000 -0.714 0.000 0.822 339 A HN 0.541 nan 8.150 nan 0.000 0.447 340 R N -0.997 119.364 120.500 -0.233 0.000 2.119 340 R HA 0.004 4.344 4.340 -0.000 0.000 0.222 340 R C 1.981 178.217 176.300 -0.106 0.000 1.088 340 R CA 1.089 57.101 56.100 -0.147 0.000 0.984 340 R CB -0.360 29.863 30.300 -0.129 0.000 0.884 340 R HN 0.416 nan 8.270 nan 0.000 0.447 341 V N 1.443 121.246 119.914 -0.184 0.000 2.407 341 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 341 V C 2.252 178.383 176.094 0.062 0.000 1.055 341 V CA 1.394 63.697 62.300 0.004 0.000 1.049 341 V CB -0.362 31.467 31.823 0.010 0.000 0.662 341 V HN 0.235 nan 8.190 nan 0.000 0.455 342 I N 1.238 121.791 120.570 -0.028 0.000 2.163 342 I HA -0.179 3.991 4.170 -0.000 0.000 0.240 342 I C 2.831 178.943 176.117 -0.008 0.000 1.081 342 I CA 2.424 63.703 61.300 -0.035 0.000 1.353 342 I CB -1.796 36.165 38.000 -0.064 0.000 1.054 342 I HN 0.538 nan 8.210 nan 0.000 0.407 343 T N -2.383 112.166 114.554 -0.009 0.000 2.951 343 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 343 T C 1.800 176.537 174.700 0.061 0.000 1.073 343 T CA 1.622 63.733 62.100 0.019 0.000 1.134 343 T CB -0.769 68.104 68.868 0.009 0.000 0.884 343 T HN 0.190 nan 8.240 nan 0.000 0.479 344 T N 2.122 116.724 114.554 0.080 0.000 2.812 344 T HA 0.201 4.551 4.350 -0.000 0.000 0.264 344 T C 1.878 176.666 174.700 0.146 0.000 1.042 344 T CA 0.840 63.022 62.100 0.136 0.000 1.140 344 T CB -0.399 68.583 68.868 0.189 0.000 0.870 344 T HN 0.266 nan 8.240 nan 0.000 0.445 345 L N 0.234 121.512 121.223 0.092 0.000 1.976 345 L HA -0.090 4.249 4.340 -0.000 0.000 0.209 345 L C 2.469 179.381 176.870 0.071 0.000 1.071 345 L CA 1.006 55.868 54.840 0.037 0.000 0.746 345 L CB -0.630 41.411 42.059 -0.030 0.000 0.890 345 L HN 0.197 nan 8.230 nan 0.000 0.432 346 L N -0.498 120.755 121.223 0.050 0.000 2.034 346 L HA -0.341 3.999 4.340 -0.000 0.000 0.217 346 L C 2.629 179.566 176.870 0.111 0.000 1.077 346 L CA 1.960 56.835 54.840 0.058 0.000 0.769 346 L CB -0.705 41.378 42.059 0.040 0.000 0.890 346 L HN 0.387 nan 8.230 nan 0.000 0.435 347 C N -2.263 117.120 119.300 0.138 0.000 2.476 347 C HA -0.121 4.338 4.460 -0.000 0.000 0.278 347 C C 2.598 177.709 174.990 0.203 0.000 1.274 347 C CA 0.355 59.481 59.018 0.180 0.000 1.713 347 C CB -0.907 26.934 27.740 0.168 0.000 2.039 347 C HN 0.589 nan 8.230 nan 0.000 0.484 348 F N 1.803 121.802 119.950 0.081 0.000 2.149 348 F HA -0.058 4.469 4.527 -0.000 0.000 0.294 348 F C 2.520 178.368 175.800 0.080 0.000 1.095 348 F CA 1.804 59.848 58.000 0.073 0.000 1.276 348 F CB -0.583 38.450 39.000 0.054 0.000 1.023 348 F HN 0.047 nan 8.300 nan 0.000 0.480 349 S N -0.134 115.607 115.700 0.069 0.000 2.383 349 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 349 S C 1.785 176.387 174.600 0.003 0.000 1.030 349 S CA 1.346 59.539 58.200 -0.011 0.000 1.002 349 S CB -0.873 62.350 63.200 0.039 0.000 0.829 349 S HN 0.531 nan 8.310 nan 0.000 0.467 350 S N 1.035 116.789 115.700 0.090 0.000 3.009 350 S HA 0.296 4.765 4.470 -0.000 0.000 0.243 350 S C 1.317 176.121 174.600 0.341 0.000 1.012 350 S CA 0.382 58.727 58.200 0.242 0.000 1.113 350 S CB -0.998 62.395 63.200 0.322 0.000 0.827 350 S HN 0.682 nan 8.310 nan 0.000 0.495 351 G N 0.458 109.319 108.800 0.102 0.000 2.280 351 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.282 351 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.282 351 G C 0.376 175.174 174.900 -0.169 0.000 1.000 351 G CA 0.182 45.288 45.100 0.010 0.000 0.751 351 G HN 1.426 nan 8.290 nan 0.000 0.515 352 A N 0.765 123.450 122.820 -0.224 0.000 2.462 352 A HA 0.595 4.914 4.320 -0.000 0.000 0.243 352 A C -1.109 176.319 177.584 -0.261 0.000 1.076 352 A CA -0.668 51.068 52.037 -0.501 0.000 0.773 352 A CB 0.456 19.267 19.000 -0.315 0.000 1.010 352 A HN 0.279 nan 8.150 nan 0.000 0.493 353 P HA 0.370 nan 4.420 nan 0.000 0.270 353 P C 0.090 177.395 177.300 0.007 0.000 1.242 353 P CA 0.738 63.778 63.100 -0.100 0.000 0.768 353 P CB 0.578 32.219 31.700 -0.097 0.000 0.820 354 G N 2.026 110.876 108.800 0.083 0.000 2.282 354 G HA2 0.393 4.353 3.960 -0.000 0.000 0.274 354 G HA3 0.393 4.353 3.960 -0.000 0.000 0.274 354 G C -0.341 174.734 174.900 0.291 0.000 1.718 354 G CA -0.412 44.779 45.100 0.152 0.000 0.927 354 G HN 0.565 nan 8.290 nan 0.000 0.733 355 G N -0.537 108.407 108.800 0.240 0.000 2.634 355 G HA2 0.520 4.480 3.960 -0.000 0.000 0.255 355 G HA3 0.520 4.480 3.960 -0.000 0.000 0.255 355 G C 0.777 175.791 174.900 0.191 0.000 1.205 355 G CA 0.133 45.408 45.100 0.292 0.000 0.884 355 G HN 1.221 nan 8.290 nan 0.000 0.549 356 I N -0.619 119.931 120.570 -0.034 0.000 4.057 356 I HA 0.305 4.474 4.170 -0.000 0.000 0.334 356 I C 1.644 177.767 176.117 0.011 0.000 1.308 356 I CA -0.338 60.810 61.300 -0.253 0.000 1.125 356 I CB 0.009 37.409 38.000 -1.000 0.000 1.034 356 I HN 0.475 nan 8.210 nan 0.000 0.401 357 F N 1.384 121.333 119.950 -0.002 0.000 2.010 357 F HA -0.242 4.284 4.527 -0.001 0.000 0.296 357 F C 2.599 178.439 175.800 0.065 0.000 1.146 357 F CA 2.311 60.359 58.000 0.080 0.000 1.181 357 F CB -0.970 38.160 39.000 0.216 0.000 0.965 357 F HN 0.149 nan 8.300 nan 0.000 0.480 358 A N 0.185 123.216 122.820 0.352 0.000 1.873 358 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 358 A C -0.245 177.362 177.584 0.039 0.000 1.193 358 A CA 2.302 54.431 52.037 0.152 0.000 0.629 358 A CB -2.231 16.735 19.000 -0.056 0.000 0.826 358 A HN 0.321 nan 8.150 nan 0.000 0.447 359 P HA -0.094 nan 4.420 nan 0.000 0.222 359 P C 1.560 178.871 177.300 0.019 0.000 1.147 359 P CA 1.017 64.134 63.100 0.028 0.000 0.790 359 P CB -0.125 31.605 31.700 0.050 0.000 0.780 360 M N -1.535 118.054 119.600 -0.018 0.000 2.156 360 M HA -0.080 4.399 4.480 -0.000 0.000 0.264 360 M C 1.971 178.231 176.300 -0.066 0.000 1.067 360 M CA 1.590 56.836 55.300 -0.090 0.000 1.131 360 M CB -0.790 31.699 32.600 -0.186 0.000 1.368 360 M HN -0.043 nan 8.290 nan 0.000 0.416 361 L N -0.136 121.064 121.223 -0.037 0.000 2.012 361 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 361 L C 2.810 179.721 176.870 0.069 0.000 1.073 361 L CA 1.401 56.239 54.840 -0.003 0.000 0.748 361 L CB -1.006 41.098 42.059 0.075 0.000 0.891 361 L HN 0.293 nan 8.230 nan 0.000 0.431 362 A N 0.198 123.084 122.820 0.110 0.000 1.940 362 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 362 A C 2.250 179.918 177.584 0.139 0.000 1.176 362 A CA 1.555 53.676 52.037 0.139 0.000 0.631 362 A CB -0.717 18.360 19.000 0.128 0.000 0.814 362 A HN 0.390 nan 8.150 nan 0.000 0.446 363 L N -0.895 120.395 121.223 0.112 0.000 2.056 363 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 363 L C 2.865 179.918 176.870 0.304 0.000 1.078 363 L CA 1.063 56.023 54.840 0.199 0.000 0.749 363 L CB -1.086 41.031 42.059 0.097 0.000 0.901 363 L HN 0.471 nan 8.230 nan 0.000 0.433 364 G N -0.163 108.763 108.800 0.211 0.000 2.459 364 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.217 364 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.217 364 G C 1.551 176.599 174.900 0.247 0.000 1.183 364 G CA 1.413 46.662 45.100 0.248 0.000 0.776 364 G HN 0.288 nan 8.290 nan 0.000 0.552 365 T N 0.964 115.610 114.554 0.153 0.000 2.597 365 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 365 T C 2.475 177.284 174.700 0.182 0.000 1.053 365 T CA 1.677 63.869 62.100 0.153 0.000 1.165 365 T CB -0.619 68.335 68.868 0.143 0.000 0.863 365 T HN 0.036 nan 8.240 nan 0.000 0.427 366 V N 1.326 121.359 119.914 0.199 0.000 2.332 366 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 366 V C 2.411 178.553 176.094 0.081 0.000 1.055 366 V CA 1.499 63.910 62.300 0.185 0.000 1.038 366 V CB -0.686 31.276 31.823 0.232 0.000 0.651 366 V HN 0.305 nan 8.190 nan 0.000 0.450 367 L N 1.028 122.273 121.223 0.037 0.000 2.056 367 L HA 0.043 4.382 4.340 -0.000 0.000 0.207 367 L C 2.355 179.173 176.870 -0.086 0.000 1.078 367 L CA 2.381 57.067 54.840 -0.256 0.000 0.749 367 L CB -1.348 40.437 42.059 -0.457 0.000 0.901 367 L HN 0.258 nan 8.230 nan 0.000 0.433 368 G N -1.765 107.114 108.800 0.132 0.000 2.433 368 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.216 368 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.216 368 G C 1.440 176.464 174.900 0.206 0.000 1.186 368 G CA 1.216 46.435 45.100 0.199 0.000 0.779 368 G HN 0.412 nan 8.290 nan 0.000 0.543 369 T N 1.712 116.370 114.554 0.174 0.000 2.737 369 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 369 T C 2.748 177.509 174.700 0.102 0.000 1.040 369 T CA 1.628 63.826 62.100 0.162 0.000 1.142 369 T CB -0.355 68.612 68.868 0.165 0.000 0.861 369 T HN 0.405 nan 8.240 nan 0.000 0.456 370 A N 0.965 123.815 122.820 0.050 0.000 1.877 370 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 370 A C 2.016 179.574 177.584 -0.044 0.000 1.186 370 A CA 1.376 53.403 52.037 -0.018 0.000 0.620 370 A CB -0.997 17.942 19.000 -0.101 0.000 0.822 370 A HN 0.508 nan 8.150 nan 0.000 0.443 371 F N 1.217 121.048 119.950 -0.198 0.000 2.126 371 F HA -0.054 4.473 4.527 -0.001 0.000 0.299 371 F C 2.303 177.874 175.800 -0.381 0.000 1.096 371 F CA 1.569 59.399 58.000 -0.283 0.000 1.255 371 F CB -0.649 38.180 39.000 -0.285 0.000 0.997 371 F HN 0.220 nan 8.300 nan 0.000 0.479 372 G N 0.656 109.408 108.800 -0.081 0.000 2.491 372 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.218 372 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.218 372 G C 1.676 176.444 174.900 -0.220 0.000 1.180 372 G CA 1.316 46.293 45.100 -0.206 0.000 0.774 372 G HN 0.420 nan 8.290 nan 0.000 0.562 373 M N -0.241 119.291 119.600 -0.113 0.000 2.080 373 M HA -0.096 4.384 4.480 -0.000 0.000 0.260 373 M C 2.725 178.920 176.300 -0.176 0.000 1.068 373 M CA 1.103 56.344 55.300 -0.099 0.000 1.109 373 M CB -0.363 32.206 32.600 -0.050 0.000 1.342 373 M HN 0.138 nan 8.290 nan 0.000 0.405 374 V N 0.267 120.024 119.914 -0.262 0.000 2.261 374 V HA -0.285 3.834 4.120 -0.000 0.000 0.246 374 V C 2.618 178.511 176.094 -0.334 0.000 1.047 374 V CA 2.044 64.166 62.300 -0.298 0.000 1.015 374 V CB -1.334 30.270 31.823 -0.364 0.000 0.642 374 V HN 0.549 nan 8.190 nan 0.000 0.446 375 A N -0.216 122.282 122.820 -0.537 0.000 1.873 375 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 375 A C 2.407 179.936 177.584 -0.092 0.000 1.193 375 A CA 2.388 54.161 52.037 -0.441 0.000 0.629 375 A CB -0.991 17.415 19.000 -0.991 0.000 0.826 375 A HN 0.326 nan 8.150 nan 0.000 0.447 376 V N 0.961 120.801 119.914 -0.123 0.000 2.453 376 V HA -0.272 3.848 4.120 -0.000 0.000 0.252 376 V C 2.336 178.409 176.094 -0.036 0.000 1.068 376 V CA 2.483 64.778 62.300 -0.008 0.000 1.070 376 V CB -0.848 30.977 31.823 0.002 0.000 0.664 376 V HN 0.956 nan 8.190 nan 0.000 0.461 377 E N -0.999 119.140 120.200 -0.101 0.000 2.481 377 E HA 0.100 4.449 4.350 -0.000 0.000 0.198 377 E C 1.633 178.099 176.600 -0.223 0.000 1.027 377 E CA 0.146 56.467 56.400 -0.133 0.000 0.900 377 E CB 0.023 29.650 29.700 -0.122 0.000 0.993 377 E HN 0.514 nan 8.360 nan 0.000 0.482 378 L N -0.241 120.792 121.223 -0.317 0.000 2.554 378 L HA 0.298 4.638 4.340 -0.000 0.000 0.225 378 L C -0.062 176.149 176.870 -1.098 0.000 1.104 378 L CA 0.138 54.562 54.840 -0.693 0.000 0.866 378 L CB 0.256 41.786 42.059 -0.882 0.000 1.047 378 L HN 0.116 nan 8.230 nan 0.000 0.468 379 F N 0.139 119.982 119.950 -0.178 0.000 2.646 379 F HA 0.308 4.834 4.527 -0.000 0.000 0.336 379 F C -1.730 173.956 175.800 -0.190 0.000 1.437 379 F CA -1.346 56.492 58.000 -0.270 0.000 1.142 379 F CB 0.613 39.417 39.000 -0.327 0.000 1.530 379 F HN -0.191 nan 8.300 nan 0.000 0.591 380 P HA -0.188 nan 4.420 nan 0.000 0.223 380 P C 1.311 178.564 177.300 -0.078 0.000 1.151 380 P CA 1.146 64.195 63.100 -0.084 0.000 0.787 380 P CB 0.292 31.918 31.700 -0.123 0.000 0.788 381 Q N -0.065 119.722 119.800 -0.022 0.000 2.167 381 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 381 Q C 1.870 178.154 176.000 0.474 0.000 0.970 381 Q CA 1.493 57.380 55.803 0.140 0.000 0.855 381 Q CB -1.552 27.226 28.738 0.068 0.000 0.911 381 Q HN 0.413 nan 8.270 nan 0.000 0.438 382 Y N 0.426 120.928 120.300 0.337 0.000 2.571 382 Y HA -0.070 4.480 4.550 -0.000 0.000 0.294 382 Y C -0.018 176.109 175.900 0.379 0.000 1.141 382 Y CA 0.075 58.365 58.100 0.318 0.000 1.308 382 Y CB -0.212 38.391 38.460 0.239 0.000 1.002 382 Y HN 0.289 nan 8.280 nan 0.000 0.551 383 H N -0.681 118.537 119.070 0.247 0.000 2.713 383 H HA -0.165 4.391 4.556 -0.000 0.000 0.311 383 H C -0.275 175.153 175.328 0.166 0.000 1.175 383 H CA -0.011 56.135 56.048 0.163 0.000 1.143 383 H CB -2.253 27.584 29.762 0.126 0.000 1.434 383 H HN 0.274 nan 8.280 nan 0.000 0.418 384 L N 0.077 121.474 121.223 0.290 0.000 2.467 384 L HA 0.180 4.520 4.340 -0.000 0.000 0.270 384 L C 1.065 178.060 176.870 0.208 0.000 1.205 384 L CA 0.412 55.420 54.840 0.280 0.000 0.828 384 L CB 0.624 42.895 42.059 0.352 0.000 1.101 384 L HN 0.416 nan 8.230 nan 0.000 0.479 385 E N 0.698 121.022 120.200 0.207 0.000 2.185 385 E HA 0.359 4.709 4.350 -0.000 0.000 0.261 385 E C 0.248 176.983 176.600 0.225 0.000 0.879 385 E CA -0.441 56.054 56.400 0.158 0.000 0.756 385 E CB 1.825 31.587 29.700 0.104 0.000 1.152 385 E HN 0.689 nan 8.360 nan 0.000 0.416 386 A N 3.690 126.641 122.820 0.220 0.000 2.024 386 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 386 A C 1.902 179.651 177.584 0.276 0.000 1.164 386 A CA 1.604 53.823 52.037 0.303 0.000 0.643 386 A CB -0.675 18.424 19.000 0.164 0.000 0.806 386 A HN 0.788 nan 8.150 nan 0.000 0.451 387 G N -0.377 108.517 108.800 0.157 0.000 2.516 387 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.221 387 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.221 387 G C 1.577 176.525 174.900 0.079 0.000 1.107 387 G CA 1.918 47.082 45.100 0.107 0.000 0.747 387 G HN 0.695 nan 8.290 nan 0.000 0.567 388 T N -2.008 112.573 114.554 0.045 0.000 2.937 388 T HA 0.076 4.425 4.350 -0.000 0.000 0.260 388 T C 2.039 176.698 174.700 -0.069 0.000 1.051 388 T CA 0.443 62.505 62.100 -0.063 0.000 1.141 388 T CB -0.390 68.383 68.868 -0.158 0.000 0.879 388 T HN 0.164 nan 8.240 nan 0.000 0.459 389 F N 2.348 122.382 119.950 0.140 0.000 2.234 389 F HA 0.227 4.754 4.527 -0.000 0.000 0.299 389 F C 2.908 178.767 175.800 0.098 0.000 1.087 389 F CA 0.564 58.622 58.000 0.097 0.000 1.340 389 F CB -0.748 38.301 39.000 0.081 0.000 1.031 389 F HN 0.253 nan 8.300 nan 0.000 0.500 390 A N 0.649 123.611 122.820 0.238 0.000 1.851 390 A HA -0.197 4.122 4.320 -0.000 0.000 0.216 390 A C 2.083 179.726 177.584 0.099 0.000 1.195 390 A CA 1.963 54.099 52.037 0.165 0.000 0.622 390 A CB -1.082 17.998 19.000 0.134 0.000 0.831 390 A HN 0.229 nan 8.150 nan 0.000 0.444 391 I N 0.137 120.740 120.570 0.055 0.000 2.264 391 I HA -0.225 3.944 4.170 -0.000 0.000 0.248 391 I C 2.773 178.879 176.117 -0.019 0.000 1.111 391 I CA 1.346 62.647 61.300 0.002 0.000 1.382 391 I CB -0.484 37.501 38.000 -0.024 0.000 1.060 391 I HN 0.336 nan 8.210 nan 0.000 0.418 392 A N -0.206 122.626 122.820 0.020 0.000 2.014 392 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 392 A C 2.407 179.967 177.584 -0.040 0.000 1.163 392 A CA 1.395 53.438 52.037 0.010 0.000 0.652 392 A CB -1.167 17.934 19.000 0.168 0.000 0.808 392 A HN 0.428 nan 8.150 nan 0.000 0.449 393 G N -1.131 107.675 108.800 0.009 0.000 2.551 393 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 393 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 393 G C 1.462 176.217 174.900 -0.242 0.000 1.137 393 G CA 0.753 45.807 45.100 -0.077 0.000 0.798 393 G HN 0.446 nan 8.290 nan 0.000 0.536 394 M N 1.008 120.543 119.600 -0.109 0.000 2.082 394 M HA -0.017 4.463 4.480 -0.000 0.000 0.258 394 M C 2.134 178.315 176.300 -0.199 0.000 1.069 394 M CA 1.971 57.210 55.300 -0.102 0.000 1.102 394 M CB -0.093 32.471 32.600 -0.060 0.000 1.336 394 M HN 0.174 nan 8.290 nan 0.000 0.404 395 G N -1.521 107.139 108.800 -0.234 0.000 3.371 395 G HA2 0.398 4.357 3.960 -0.000 0.000 0.248 395 G HA3 0.398 4.357 3.960 -0.000 0.000 0.248 395 G C 1.030 175.718 174.900 -0.354 0.000 1.161 395 G CA 0.430 45.371 45.100 -0.264 0.000 0.796 395 G HN 0.583 nan 8.290 nan 0.000 0.539 396 A N 0.191 122.672 122.820 -0.565 0.000 1.970 396 A HA 0.217 4.536 4.320 -0.000 0.000 0.216 396 A C 2.087 179.242 177.584 -0.715 0.000 1.170 396 A CA 0.486 52.051 52.037 -0.788 0.000 0.645 396 A CB -0.194 17.901 19.000 -1.509 0.000 0.816 396 A HN 0.368 nan 8.150 nan 0.000 0.447 397 L N -0.440 120.392 121.223 -0.651 0.000 2.156 397 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 397 L C 2.220 178.937 176.870 -0.255 0.000 1.095 397 L CA 1.060 55.728 54.840 -0.286 0.000 0.770 397 L CB -0.331 41.631 42.059 -0.161 0.000 0.914 397 L HN 0.408 nan 8.230 nan 0.000 0.439 398 L N -0.632 120.405 121.223 -0.310 0.000 2.275 398 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 398 L C 2.628 179.383 176.870 -0.192 0.000 1.119 398 L CA 0.867 55.521 54.840 -0.309 0.000 0.790 398 L CB -0.450 41.373 42.059 -0.393 0.000 0.919 398 L HN 0.252 nan 8.230 nan 0.000 0.443 399 A N -0.500 122.207 122.820 -0.189 0.000 1.935 399 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 399 A C 2.306 179.840 177.584 -0.083 0.000 1.178 399 A CA 1.242 53.206 52.037 -0.122 0.000 0.640 399 A CB -0.263 18.650 19.000 -0.144 0.000 0.825 399 A HN 0.344 nan 8.150 nan 0.000 0.447 400 A N -1.759 121.011 122.820 -0.083 0.000 2.169 400 A HA 0.335 4.655 4.320 -0.000 0.000 0.210 400 A C 2.110 179.670 177.584 -0.041 0.000 1.168 400 A CA 1.296 53.315 52.037 -0.030 0.000 0.813 400 A CB -0.100 18.926 19.000 0.044 0.000 0.861 400 A HN 0.350 nan 8.150 nan 0.000 0.481 401 S N -0.649 115.006 115.700 -0.074 0.000 2.517 401 S HA 0.064 4.533 4.470 -0.000 0.000 0.228 401 S C 1.690 176.225 174.600 -0.109 0.000 1.060 401 S CA 0.930 59.081 58.200 -0.082 0.000 0.937 401 S CB -0.094 63.056 63.200 -0.083 0.000 0.840 401 S HN 0.635 nan 8.310 nan 0.000 0.546 402 I N 0.811 121.304 120.570 -0.128 0.000 3.228 402 I HA 0.293 4.463 4.170 -0.000 0.000 0.279 402 I C 0.274 176.443 176.117 0.086 0.000 1.221 402 I CA 0.850 62.097 61.300 -0.088 0.000 1.458 402 I CB -0.114 37.814 38.000 -0.119 0.000 1.105 402 I HN 0.021 nan 8.210 nan 0.000 0.445 403 R N 0.388 120.908 120.500 0.032 0.000 3.656 403 R HA -0.128 4.212 4.340 -0.000 0.000 0.297 403 R C 0.133 176.478 176.300 0.075 0.000 1.166 403 R CA 0.820 56.945 56.100 0.041 0.000 0.799 403 R CB -2.982 27.341 30.300 0.039 0.000 1.285 403 R HN 0.596 nan 8.270 nan 0.000 0.477 404 A N 0.532 123.415 122.820 0.104 0.000 3.064 404 A HA 0.462 4.782 4.320 -0.000 0.000 0.339 404 A C -0.859 176.766 177.584 0.068 0.000 1.078 404 A CA -0.997 51.114 52.037 0.123 0.000 0.869 404 A CB 0.764 19.916 19.000 0.252 0.000 1.067 404 A HN -0.024 nan 8.150 nan 0.000 0.480 405 P HA -0.177 nan 4.420 nan 0.000 0.216 405 P C 1.605 178.900 177.300 -0.008 0.000 1.153 405 P CA 0.668 63.756 63.100 -0.020 0.000 0.848 405 P CB 0.234 31.914 31.700 -0.033 0.000 0.787 406 L N 0.351 121.579 121.223 0.009 0.000 2.013 406 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 406 L C 2.368 179.255 176.870 0.027 0.000 1.073 406 L CA 2.317 57.164 54.840 0.012 0.000 0.753 406 L CB -1.884 40.185 42.059 0.016 0.000 0.890 406 L HN -0.033 nan 8.230 nan 0.000 0.432 407 T N -0.848 113.747 114.554 0.069 0.000 2.821 407 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 407 T C 1.631 176.368 174.700 0.062 0.000 1.046 407 T CA 1.109 63.275 62.100 0.109 0.000 1.139 407 T CB -0.634 68.384 68.868 0.250 0.000 0.871 407 T HN 0.603 nan 8.240 nan 0.000 0.454 408 G N 1.783 110.596 108.800 0.022 0.000 2.404 408 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 408 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 408 G C 1.473 176.328 174.900 -0.075 0.000 1.174 408 G CA 0.310 45.375 45.100 -0.058 0.000 0.780 408 G HN 0.342 nan 8.290 nan 0.000 0.537 409 I N 1.526 122.060 120.570 -0.061 0.000 2.118 409 I HA -0.160 4.010 4.170 -0.000 0.000 0.241 409 I C 2.840 178.930 176.117 -0.044 0.000 1.070 409 I CA 1.034 62.299 61.300 -0.059 0.000 1.327 409 I CB -0.908 37.066 38.000 -0.043 0.000 1.034 409 I HN 0.133 nan 8.210 nan 0.000 0.405 410 I N 0.155 120.709 120.570 -0.026 0.000 2.264 410 I HA -0.286 3.883 4.170 -0.000 0.000 0.248 410 I C 2.607 178.698 176.117 -0.044 0.000 1.111 410 I CA 1.194 62.479 61.300 -0.025 0.000 1.382 410 I CB -0.774 37.217 38.000 -0.014 0.000 1.060 410 I HN 0.248 nan 8.210 nan 0.000 0.418 411 L N 0.947 122.137 121.223 -0.056 0.000 1.989 411 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 411 L C 2.494 179.287 176.870 -0.128 0.000 1.071 411 L CA 1.828 56.609 54.840 -0.098 0.000 0.749 411 L CB -0.854 41.130 42.059 -0.124 0.000 0.890 411 L HN -0.050 nan 8.230 nan 0.000 0.431 412 V N -0.273 119.567 119.914 -0.123 0.000 2.255 412 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 412 V C 2.579 178.625 176.094 -0.081 0.000 1.051 412 V CA 1.841 64.072 62.300 -0.116 0.000 1.018 412 V CB -0.896 30.864 31.823 -0.106 0.000 0.641 412 V HN 0.579 nan 8.190 nan 0.000 0.445 413 L N 0.462 121.653 121.223 -0.053 0.000 2.081 413 L HA -0.221 4.118 4.340 -0.000 0.000 0.212 413 L C 2.269 179.120 176.870 -0.031 0.000 1.080 413 L CA 2.001 56.830 54.840 -0.020 0.000 0.754 413 L CB -0.823 41.245 42.059 0.015 0.000 0.893 413 L HN 0.421 nan 8.230 nan 0.000 0.433 414 E N -1.398 118.772 120.200 -0.050 0.000 2.358 414 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 414 E C 1.945 178.512 176.600 -0.054 0.000 1.010 414 E CA 1.018 57.388 56.400 -0.049 0.000 0.856 414 E CB -0.015 29.654 29.700 -0.052 0.000 0.795 414 E HN 0.608 nan 8.360 nan 0.000 0.504 415 M N -0.701 118.852 119.600 -0.078 0.000 2.571 415 M HA 0.002 4.482 4.480 -0.000 0.000 0.259 415 M C 2.157 178.407 176.300 -0.084 0.000 1.205 415 M CA 0.896 56.138 55.300 -0.096 0.000 1.138 415 M CB 0.495 32.998 32.600 -0.163 0.000 1.329 415 M HN 0.058 nan 8.290 nan 0.000 0.503 416 T N -4.228 110.285 114.554 -0.069 0.000 3.015 416 T HA 0.040 4.389 4.350 -0.000 0.000 0.250 416 T C 0.711 175.395 174.700 -0.027 0.000 1.057 416 T CA 0.208 62.278 62.100 -0.051 0.000 1.066 416 T CB 0.047 68.884 68.868 -0.051 0.000 0.959 416 T HN 0.270 nan 8.240 nan 0.000 0.488 417 D N 1.970 122.360 120.400 -0.017 0.000 2.708 417 D HA -0.174 4.466 4.640 -0.000 0.000 0.236 417 D C -0.668 175.643 176.300 0.019 0.000 1.146 417 D CA 0.414 54.417 54.000 0.006 0.000 0.662 417 D CB -2.048 38.752 40.800 0.001 0.000 1.059 417 D HN 0.688 nan 8.370 nan 0.000 0.428 418 N N 0.652 119.361 118.700 0.015 0.000 2.914 418 N HA 0.009 4.749 4.740 -0.000 0.000 0.304 418 N C 0.696 176.210 175.510 0.007 0.000 1.727 418 N CA -0.470 52.580 53.050 0.000 0.000 0.986 418 N CB 0.262 38.729 38.487 -0.033 0.000 1.297 418 N HN 0.178 nan 8.380 nan 0.000 0.490 419 Y N 2.336 122.602 120.300 -0.058 0.000 2.283 419 Y HA -0.295 4.255 4.550 -0.001 0.000 0.285 419 Y C 2.016 177.871 175.900 -0.074 0.000 1.176 419 Y CA 1.959 60.022 58.100 -0.062 0.000 1.229 419 Y CB 0.075 38.506 38.460 -0.049 0.000 0.975 419 Y HN 0.391 nan 8.280 nan 0.000 0.537 420 Q N -0.305 119.336 119.800 -0.265 0.000 2.508 420 Q HA -0.077 4.263 4.340 -0.000 0.000 0.214 420 Q C 1.289 177.086 176.000 -0.338 0.000 0.979 420 Q CA 1.682 57.285 55.803 -0.333 0.000 0.911 420 Q CB -0.606 28.030 28.738 -0.170 0.000 0.969 420 Q HN 0.556 nan 8.270 nan 0.000 0.504 421 L N -0.585 120.456 121.223 -0.302 0.000 2.728 421 L HA 0.196 4.536 4.340 -0.000 0.000 0.238 421 L C 1.315 177.992 176.870 -0.322 0.000 1.143 421 L CA -0.333 54.324 54.840 -0.306 0.000 0.937 421 L CB 0.087 42.005 42.059 -0.234 0.000 1.225 421 L HN 0.176 nan 8.230 nan 0.000 0.507 422 I N 0.281 120.638 120.570 -0.356 0.000 2.185 422 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 422 I C 2.164 178.145 176.117 -0.226 0.000 1.088 422 I CA 1.725 62.875 61.300 -0.251 0.000 1.347 422 I CB 0.029 37.860 38.000 -0.283 0.000 1.041 422 I HN 0.198 nan 8.210 nan 0.000 0.415 423 L N 1.218 122.274 121.223 -0.278 0.000 2.027 423 L HA -0.057 4.282 4.340 -0.000 0.000 0.206 423 L C -0.576 176.117 176.870 -0.294 0.000 1.074 423 L CA 2.129 56.828 54.840 -0.234 0.000 0.745 423 L CB -1.772 40.157 42.059 -0.218 0.000 0.898 423 L HN 0.180 nan 8.230 nan 0.000 0.433 424 P HA -0.187 nan 4.420 nan 0.000 0.216 424 P C 1.975 179.040 177.300 -0.391 0.000 1.153 424 P CA 1.758 64.407 63.100 -0.752 0.000 0.848 424 P CB -0.151 30.524 31.700 -1.708 0.000 0.787 425 M N -1.026 118.396 119.600 -0.298 0.000 2.065 425 M HA -0.148 4.332 4.480 -0.000 0.000 0.259 425 M C 2.264 178.493 176.300 -0.118 0.000 1.069 425 M CA 1.813 57.015 55.300 -0.163 0.000 1.110 425 M CB -0.917 31.600 32.600 -0.138 0.000 1.328 425 M HN -0.140 nan 8.290 nan 0.000 0.405 426 I N 0.507 121.008 120.570 -0.116 0.000 2.208 426 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 426 I C 2.444 178.526 176.117 -0.058 0.000 1.097 426 I CA 1.592 62.846 61.300 -0.076 0.000 1.363 426 I CB -0.859 37.100 38.000 -0.067 0.000 1.051 426 I HN 0.336 nan 8.210 nan 0.000 0.413 427 I N 0.670 121.200 120.570 -0.067 0.000 2.315 427 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 427 I C 2.467 178.592 176.117 0.014 0.000 1.117 427 I CA 1.549 62.837 61.300 -0.019 0.000 1.404 427 I CB -1.153 36.840 38.000 -0.011 0.000 1.071 427 I HN 0.264 nan 8.210 nan 0.000 0.419 428 T N 0.598 115.159 114.554 0.013 0.000 2.812 428 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 428 T C 1.991 176.675 174.700 -0.027 0.000 1.042 428 T CA 1.234 63.348 62.100 0.025 0.000 1.140 428 T CB -0.706 68.187 68.868 0.041 0.000 0.870 428 T HN 0.500 nan 8.240 nan 0.000 0.445 429 G N 1.785 110.548 108.800 -0.061 0.000 2.480 429 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 429 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 429 G C 1.507 176.382 174.900 -0.042 0.000 1.200 429 G CA 0.895 45.948 45.100 -0.078 0.000 0.782 429 G HN 0.443 nan 8.290 nan 0.000 0.554 430 L N 1.290 122.499 121.223 -0.023 0.000 2.127 430 L HA 0.086 4.425 4.340 -0.000 0.000 0.211 430 L C 2.831 179.709 176.870 0.013 0.000 1.089 430 L CA 2.084 56.920 54.840 -0.007 0.000 0.757 430 L CB -0.564 41.496 42.059 0.002 0.000 0.899 430 L HN 0.217 nan 8.230 nan 0.000 0.434 431 G N -1.230 107.586 108.800 0.026 0.000 2.422 431 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 431 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 431 G C 1.563 176.496 174.900 0.055 0.000 1.146 431 G CA 0.711 45.843 45.100 0.052 0.000 0.769 431 G HN 0.592 nan 8.290 nan 0.000 0.547 432 A N 0.563 123.403 122.820 0.035 0.000 1.854 432 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 432 A C 2.536 180.127 177.584 0.012 0.000 1.192 432 A CA 2.317 54.379 52.037 0.042 0.000 0.611 432 A CB -0.945 18.058 19.000 0.006 0.000 0.832 432 A HN 0.275 nan 8.150 nan 0.000 0.442 433 T N 0.390 114.932 114.554 -0.019 0.000 2.881 433 T HA -0.065 4.284 4.350 -0.000 0.000 0.270 433 T C 1.750 176.401 174.700 -0.081 0.000 1.068 433 T CA 1.310 63.383 62.100 -0.045 0.000 1.131 433 T CB -0.301 68.538 68.868 -0.048 0.000 0.871 433 T HN 0.292 nan 8.240 nan 0.000 0.479 434 L N 0.132 121.324 121.223 -0.052 0.000 2.023 434 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 434 L C 2.354 179.195 176.870 -0.048 0.000 1.073 434 L CA 0.872 55.660 54.840 -0.086 0.000 0.745 434 L CB -0.278 41.819 42.059 0.063 0.000 0.900 434 L HN 0.208 nan 8.230 nan 0.000 0.435 435 L N -0.625 120.641 121.223 0.072 0.000 2.376 435 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 435 L C 2.509 179.419 176.870 0.067 0.000 1.133 435 L CA 1.192 56.108 54.840 0.126 0.000 0.816 435 L CB -1.057 41.076 42.059 0.123 0.000 0.933 435 L HN 0.254 nan 8.230 nan 0.000 0.449 436 A N -0.985 121.839 122.820 0.007 0.000 1.975 436 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 436 A C 2.231 179.788 177.584 -0.046 0.000 1.170 436 A CA 0.740 52.770 52.037 -0.011 0.000 0.656 436 A CB -0.184 18.803 19.000 -0.021 0.000 0.821 436 A HN 0.402 nan 8.150 nan 0.000 0.449 437 Q N -1.200 118.521 119.800 -0.132 0.000 2.020 437 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 437 Q C 1.190 177.096 176.000 -0.157 0.000 0.974 437 Q CA 1.447 57.112 55.803 -0.230 0.000 0.829 437 Q CB -0.158 28.290 28.738 -0.484 0.000 0.894 437 Q HN 0.589 nan 8.270 nan 0.000 0.433 438 F N 0.267 120.230 119.950 0.021 0.000 2.802 438 F HA -0.006 4.521 4.527 -0.000 0.000 0.300 438 F C 1.853 177.663 175.800 0.018 0.000 1.168 438 F CA 1.190 59.203 58.000 0.021 0.000 1.433 438 F CB -0.019 38.995 39.000 0.023 0.000 1.115 438 F HN 0.163 nan 8.300 nan 0.000 0.582 439 T N -4.287 110.357 114.554 0.150 0.000 3.129 439 T HA 0.489 4.839 4.350 -0.000 0.000 0.267 439 T C 1.548 176.280 174.700 0.053 0.000 1.018 439 T CA 0.297 62.454 62.100 0.094 0.000 0.903 439 T CB 0.233 69.142 68.868 0.068 0.000 1.067 439 T HN 0.330 nan 8.240 nan 0.000 0.549 440 G N 0.568 109.397 108.800 0.049 0.000 2.157 440 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.248 440 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.248 440 G C 0.449 175.353 174.900 0.006 0.000 0.979 440 G CA -0.325 44.792 45.100 0.029 0.000 0.650 440 G HN 1.026 nan 8.290 nan 0.000 0.529 441 G N -0.280 108.515 108.800 -0.009 0.000 2.539 441 G HA2 0.560 4.520 3.960 -0.000 0.000 0.258 441 G HA3 0.560 4.520 3.960 -0.000 0.000 0.258 441 G C 0.064 174.957 174.900 -0.010 0.000 1.202 441 G CA -0.076 45.012 45.100 -0.021 0.000 0.851 441 G HN 0.485 nan 8.290 nan 0.000 0.556 442 K N 1.013 121.411 120.400 -0.003 0.000 2.238 442 K HA 0.391 4.711 4.320 -0.000 0.000 0.239 442 K C -2.657 173.956 176.600 0.022 0.000 0.987 442 K CA -1.730 54.569 56.287 0.019 0.000 0.857 442 K CB 1.948 34.468 32.500 0.034 0.000 1.154 442 K HN 0.162 nan 8.250 nan 0.000 0.439 443 P HA -0.016 nan 4.420 nan 0.000 0.269 443 P C 0.596 177.938 177.300 0.070 0.000 1.252 443 P CA 0.027 63.174 63.100 0.080 0.000 0.780 443 P CB 0.361 32.146 31.700 0.142 0.000 0.829 444 L N 2.553 123.753 121.223 -0.039 0.000 2.357 444 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 444 L C 0.781 177.629 176.870 -0.037 0.000 1.123 444 L CA 2.025 56.799 54.840 -0.109 0.000 0.782 444 L CB -0.236 41.659 42.059 -0.274 0.000 0.910 444 L HN 0.497 nan 8.230 nan 0.000 0.442 445 W N -1.331 120.034 121.300 0.109 0.000 2.588 445 W HA -0.017 4.643 4.660 -0.000 0.000 0.277 445 W C 2.636 179.216 176.519 0.102 0.000 1.221 445 W CA 0.409 57.830 57.345 0.126 0.000 1.355 445 W CB -0.293 29.251 29.460 0.140 0.000 1.083 445 W HN -0.026 nan 8.180 nan 0.000 0.581 446 S N 0.572 116.468 115.700 0.327 0.000 2.406 446 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 446 S C 1.965 176.665 174.600 0.167 0.000 1.020 446 S CA 1.203 59.537 58.200 0.224 0.000 0.965 446 S CB -0.637 62.684 63.200 0.201 0.000 0.798 446 S HN 0.251 nan 8.310 nan 0.000 0.488 447 A N 2.237 125.142 122.820 0.142 0.000 1.855 447 A HA -0.037 4.282 4.320 -0.000 0.000 0.215 447 A C 1.979 179.626 177.584 0.104 0.000 1.191 447 A CA 1.097 53.192 52.037 0.096 0.000 0.613 447 A CB -0.654 18.383 19.000 0.063 0.000 0.829 447 A HN 0.360 nan 8.150 nan 0.000 0.442 448 I N -0.349 120.304 120.570 0.138 0.000 2.118 448 I HA -0.236 3.934 4.170 -0.000 0.000 0.241 448 I C 2.477 178.677 176.117 0.140 0.000 1.070 448 I CA 1.455 62.845 61.300 0.151 0.000 1.327 448 I CB -1.464 36.675 38.000 0.231 0.000 1.034 448 I HN 0.378 nan 8.210 nan 0.000 0.405 449 L N 1.300 122.621 121.223 0.164 0.000 2.012 449 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 449 L C 2.518 179.441 176.870 0.089 0.000 1.073 449 L CA 2.299 57.216 54.840 0.127 0.000 0.748 449 L CB -0.808 41.332 42.059 0.136 0.000 0.891 449 L HN 0.218 nan 8.230 nan 0.000 0.431 450 A N -0.823 122.049 122.820 0.087 0.000 2.019 450 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 450 A C 2.333 179.943 177.584 0.044 0.000 1.164 450 A CA 1.330 53.401 52.037 0.057 0.000 0.644 450 A CB -0.496 18.536 19.000 0.054 0.000 0.805 450 A HN 0.456 nan 8.150 nan 0.000 0.449 451 R N -0.926 119.605 120.500 0.051 0.000 2.062 451 R HA -0.060 4.280 4.340 -0.000 0.000 0.229 451 R C 2.212 178.532 176.300 0.033 0.000 1.128 451 R CA 1.762 57.884 56.100 0.036 0.000 0.960 451 R CB -1.238 29.086 30.300 0.040 0.000 0.855 451 R HN 0.504 nan 8.270 nan 0.000 0.432 452 T N 2.008 116.590 114.554 0.046 0.000 2.708 452 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 452 T C 1.795 176.513 174.700 0.031 0.000 1.037 452 T CA 0.946 63.070 62.100 0.040 0.000 1.146 452 T CB -0.128 68.772 68.868 0.053 0.000 0.865 452 T HN -0.038 nan 8.240 nan 0.000 0.435 453 L N 0.870 122.113 121.223 0.034 0.000 2.141 453 L HA 0.123 4.463 4.340 -0.000 0.000 0.209 453 L C 2.607 179.487 176.870 0.016 0.000 1.094 453 L CA 1.272 56.127 54.840 0.025 0.000 0.763 453 L CB -1.240 40.834 42.059 0.026 0.000 0.908 453 L HN 0.229 nan 8.230 nan 0.000 0.437 454 A N -1.409 121.420 122.820 0.015 0.000 1.898 454 A HA -0.147 4.172 4.320 -0.000 0.000 0.214 454 A C 2.278 179.866 177.584 0.007 0.000 1.183 454 A CA 0.867 52.909 52.037 0.008 0.000 0.622 454 A CB -0.355 18.649 19.000 0.007 0.000 0.824 454 A HN 0.257 nan 8.150 nan 0.000 0.444 455 K N -0.577 119.828 120.400 0.008 0.000 2.520 455 K HA -0.141 4.179 4.320 -0.000 0.000 0.197 455 K C 2.006 178.611 176.600 0.007 0.000 1.043 455 K CA 1.099 57.388 56.287 0.004 0.000 0.944 455 K CB -0.037 32.464 32.500 0.002 0.000 0.770 455 K HN 0.626 nan 8.250 nan 0.000 0.480 456 Q N 0.000 119.806 119.800 0.010 0.000 2.287 456 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 456 Q C 0.974 176.980 176.000 0.009 0.000 0.946 456 Q CA 0.783 56.593 55.803 0.011 0.000 0.868 456 Q CB 0.471 29.217 28.738 0.014 0.000 0.967 456 Q HN 0.399 nan 8.270 nan 0.000 0.516 457 E N -0.563 119.641 120.200 0.008 0.000 2.419 457 E HA 0.374 4.724 4.350 -0.000 0.000 0.190 457 E C -0.148 176.454 176.600 0.004 0.000 1.040 457 E CA -0.170 56.233 56.400 0.006 0.000 0.900 457 E CB 0.741 30.444 29.700 0.005 0.000 1.054 457 E HN 0.163 nan 8.360 nan 0.000 0.462 458 A N 0.000 122.823 122.820 0.004 0.000 2.254 458 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 458 A CA 0.000 52.039 52.037 0.003 0.000 0.836 458 A CB 0.000 19.001 19.000 0.001 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486