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 3gyr_1_G DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.606 177.584 0.037 0.000 1.274 37 A CA 0.000 52.058 52.037 0.036 0.000 0.836 37 A CB 0.000 19.032 19.000 0.053 0.000 0.831 38 P HA 0.364 nan 4.420 nan 0.000 0.260 38 P C 1.084 178.406 177.300 0.037 0.000 1.185 38 P CA 2.233 65.350 63.100 0.028 0.000 0.763 38 P CB 0.468 32.182 31.700 0.024 0.000 0.776 39 G N 1.912 110.731 108.800 0.031 0.000 2.176 39 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.232 39 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.232 39 G C -0.074 174.849 174.900 0.038 0.000 0.986 39 G CA -0.448 44.672 45.100 0.034 0.000 0.643 39 G HN 0.548 nan 8.290 nan 0.000 0.522 40 E N 0.070 120.291 120.200 0.035 0.000 2.191 40 E HA 0.567 4.917 4.350 -0.000 0.000 0.274 40 E C 0.485 177.066 176.600 -0.032 0.000 0.948 40 E CA -0.882 55.537 56.400 0.032 0.000 0.802 40 E CB 1.613 31.349 29.700 0.059 0.000 1.137 40 E HN 0.274 nan 8.360 nan 0.000 0.397 41 L N 1.891 123.059 121.223 -0.092 0.000 2.456 41 L HA 0.105 4.445 4.340 -0.000 0.000 0.272 41 L C 0.516 177.353 176.870 -0.055 0.000 1.189 41 L CA 0.133 54.830 54.840 -0.238 0.000 0.846 41 L CB 0.174 41.864 42.059 -0.615 0.000 1.111 41 L HN 0.441 nan 8.230 nan 0.000 0.475 42 T N 4.581 119.149 114.554 0.023 0.000 2.761 42 T HA 0.238 4.587 4.350 -0.000 0.000 0.296 42 T C -2.178 172.622 174.700 0.168 0.000 0.934 42 T CA -0.940 61.209 62.100 0.083 0.000 1.091 42 T CB 0.775 69.709 68.868 0.110 0.000 0.896 42 T HN 0.404 nan 8.240 nan 0.000 0.515 43 P HA 0.219 nan 4.420 nan 0.000 0.275 43 P C -0.242 176.805 177.300 -0.421 0.000 1.228 43 P CA -0.435 62.418 63.100 -0.411 0.000 0.786 43 P CB 0.113 31.055 31.700 -1.263 0.000 0.927 44 F N -0.988 119.139 119.950 0.295 0.000 3.040 44 F HA -0.211 4.315 4.527 -0.000 0.000 0.298 44 F C 1.108 177.071 175.800 0.272 0.000 0.948 44 F CA 0.201 58.357 58.000 0.261 0.000 1.022 44 F CB -2.452 36.643 39.000 0.157 0.000 1.023 44 F HN 0.397 nan 8.300 nan 0.000 0.742 45 A N -0.598 122.388 122.820 0.276 0.000 2.197 45 A HA 0.719 5.039 4.320 -0.000 0.000 0.210 45 A C 1.117 178.794 177.584 0.155 0.000 1.180 45 A CA 0.801 52.929 52.037 0.153 0.000 0.846 45 A CB 0.318 19.314 19.000 -0.006 0.000 0.884 45 A HN 0.997 nan 8.150 nan 0.000 0.487 46 A N 0.549 123.412 122.820 0.072 0.000 2.401 46 A HA 0.719 5.039 4.320 -0.000 0.000 0.310 46 A C -3.099 174.189 177.584 -0.493 0.000 1.075 46 A CA -2.007 49.966 52.037 -0.106 0.000 0.746 46 A CB 1.093 19.979 19.000 -0.190 0.000 1.277 46 A HN 0.057 nan 8.150 nan 0.000 0.425 47 P HA 0.212 nan 4.420 nan 0.000 0.271 47 P C -0.125 176.884 177.300 -0.485 0.000 1.218 47 P CA -0.205 62.289 63.100 -1.010 0.000 0.780 47 P CB 0.546 31.941 31.700 -0.508 0.000 0.901 48 L N 3.091 124.074 121.223 -0.400 0.000 2.506 48 L HA 0.185 4.525 4.340 -0.000 0.000 0.281 48 L C 0.531 177.323 176.870 -0.131 0.000 1.228 48 L CA 1.178 55.899 54.840 -0.199 0.000 0.850 48 L CB -0.072 41.894 42.059 -0.154 0.000 1.110 48 L HN 0.619 nan 8.230 nan 0.000 0.496 49 T N 2.115 116.623 114.554 -0.077 0.000 2.910 49 T HA 0.805 5.155 4.350 -0.000 0.000 0.287 49 T C -0.421 174.272 174.700 -0.011 0.000 1.050 49 T CA -0.222 61.854 62.100 -0.041 0.000 1.011 49 T CB 1.567 70.415 68.868 -0.034 0.000 1.195 49 T HN 0.892 nan 8.240 nan 0.000 0.540 50 V N -1.889 118.029 119.914 0.006 0.000 2.876 50 V HA 0.809 4.929 4.120 -0.000 0.000 0.312 50 V C -3.028 173.081 176.094 0.025 0.000 1.085 50 V CA -2.527 59.787 62.300 0.023 0.000 0.945 50 V CB 0.798 32.643 31.823 0.038 0.000 1.017 50 V HN 0.845 nan 8.190 nan 0.000 0.428 51 P HA 0.376 nan 4.420 nan 0.000 0.271 51 P C -2.729 174.597 177.300 0.044 0.000 1.233 51 P CA -0.958 62.166 63.100 0.039 0.000 0.789 51 P CB -0.434 31.298 31.700 0.053 0.000 0.951 52 P HA 0.039 nan 4.420 nan 0.000 0.271 52 P C -0.697 176.628 177.300 0.042 0.000 1.218 52 P CA 0.129 63.253 63.100 0.040 0.000 0.780 52 P CB 0.296 32.020 31.700 0.041 0.000 0.901 53 V N 3.899 123.829 119.914 0.026 0.000 2.498 53 V HA 0.195 4.315 4.120 -0.000 0.000 0.279 53 V C 0.377 176.471 176.094 -0.001 0.000 1.048 53 V CA -0.232 62.077 62.300 0.014 0.000 0.967 53 V CB 0.922 32.746 31.823 0.002 0.000 0.988 53 V HN 0.385 nan 8.190 nan 0.000 0.473 54 L N 6.502 127.717 121.223 -0.015 0.000 2.333 54 L HA 0.603 4.943 4.340 -0.000 0.000 0.280 54 L C -0.147 176.679 176.870 -0.073 0.000 1.004 54 L CA -0.164 54.653 54.840 -0.038 0.000 0.820 54 L CB 1.619 43.655 42.059 -0.037 0.000 1.247 54 L HN 0.547 nan 8.230 nan 0.000 0.416 55 R N 5.992 126.451 120.500 -0.068 0.000 2.312 55 R HA 0.408 4.747 4.340 -0.000 0.000 0.310 55 R C -1.719 174.538 176.300 -0.072 0.000 1.064 55 R CA -1.179 54.873 56.100 -0.080 0.000 0.983 55 R CB 1.035 31.299 30.300 -0.061 0.000 1.139 55 R HN 0.534 nan 8.270 nan 0.000 0.536 56 P HA 0.023 nan 4.420 nan 0.000 0.226 56 P C 0.153 177.426 177.300 -0.045 0.000 1.161 56 P CA 0.214 63.272 63.100 -0.069 0.000 0.804 56 P CB 0.355 32.008 31.700 -0.079 0.000 0.829 57 A N 1.197 123.995 122.820 -0.037 0.000 2.587 57 A HA 0.329 4.648 4.320 -0.000 0.000 0.233 57 A C 0.659 178.231 177.584 -0.019 0.000 1.049 57 A CA 0.863 52.890 52.037 -0.018 0.000 0.754 57 A CB -0.468 18.523 19.000 -0.016 0.000 0.977 57 A HN 0.440 nan 8.150 nan 0.000 0.509 58 S N 0.360 116.053 115.700 -0.012 0.000 2.588 58 S HA 0.470 4.940 4.470 -0.000 0.000 0.269 58 S C -0.144 174.452 174.600 -0.008 0.000 1.157 58 S CA -0.360 57.832 58.200 -0.013 0.000 0.824 58 S CB 1.070 64.259 63.200 -0.019 0.000 1.126 58 S HN 0.496 nan 8.310 nan 0.000 0.464 59 D N 0.784 121.180 120.400 -0.008 0.000 2.221 59 D HA -0.017 4.622 4.640 -0.000 0.000 0.204 59 D C 0.324 176.621 176.300 -0.005 0.000 0.982 59 D CA 1.272 55.269 54.000 -0.005 0.000 0.857 59 D CB 0.012 40.808 40.800 -0.006 0.000 0.934 59 D HN 0.733 nan 8.370 nan 0.000 0.475 60 E N 0.608 120.803 120.200 -0.009 0.000 2.103 60 E HA 0.154 4.504 4.350 -0.000 0.000 0.254 60 E C 0.718 177.310 176.600 -0.012 0.000 0.940 60 E CA -0.266 56.128 56.400 -0.010 0.000 0.771 60 E CB 1.353 31.045 29.700 -0.013 0.000 1.153 60 E HN -0.225 nan 8.360 nan 0.000 0.428 61 V N 3.516 123.425 119.914 -0.008 0.000 2.568 61 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 61 V C 1.977 178.061 176.094 -0.017 0.000 1.072 61 V CA 2.662 64.957 62.300 -0.008 0.000 1.084 61 V CB -0.248 31.576 31.823 0.001 0.000 0.676 61 V HN 0.825 nan 8.190 nan 0.000 0.469 62 T N -1.860 112.683 114.554 -0.018 0.000 3.118 62 T HA -0.059 4.291 4.350 -0.000 0.000 0.260 62 T C 1.167 175.849 174.700 -0.030 0.000 1.139 62 T CA 0.130 62.216 62.100 -0.024 0.000 1.085 62 T CB -0.370 68.486 68.868 -0.019 0.000 0.934 62 T HN 0.515 nan 8.240 nan 0.000 0.518 63 R N 1.912 122.394 120.500 -0.030 0.000 2.205 63 R HA 0.233 4.572 4.340 -0.000 0.000 0.342 63 R C -0.747 175.524 176.300 -0.048 0.000 1.058 63 R CA -0.292 55.786 56.100 -0.036 0.000 0.904 63 R CB 0.331 30.613 30.300 -0.030 0.000 1.089 63 R HN 0.438 nan 8.270 nan 0.000 0.471 64 E N 1.820 121.984 120.200 -0.061 0.000 2.374 64 E HA 0.071 4.421 4.350 -0.000 0.000 0.260 64 E C -0.520 176.023 176.600 -0.096 0.000 1.101 64 E CA -0.005 56.343 56.400 -0.086 0.000 0.907 64 E CB 1.054 30.694 29.700 -0.100 0.000 1.014 64 E HN 0.429 nan 8.360 nan 0.000 0.427 65 T N 2.053 116.529 114.554 -0.130 0.000 2.733 65 T HA 0.076 4.426 4.350 -0.000 0.000 0.294 65 T C -0.168 174.417 174.700 -0.192 0.000 0.956 65 T CA -0.385 61.629 62.100 -0.143 0.000 0.987 65 T CB 0.475 69.249 68.868 -0.157 0.000 0.920 65 T HN 0.389 nan 8.240 nan 0.000 0.470 66 E N 4.074 124.190 120.200 -0.139 0.000 2.324 66 E HA 0.222 4.571 4.350 -0.000 0.000 0.271 66 E C -0.778 175.741 176.600 -0.134 0.000 1.028 66 E CA -0.223 56.098 56.400 -0.132 0.000 0.890 66 E CB 0.416 30.072 29.700 -0.073 0.000 1.004 66 E HN 0.555 nan 8.360 nan 0.000 0.431 67 I N 4.259 124.735 120.570 -0.158 0.000 2.420 67 I HA 0.319 4.489 4.170 -0.000 0.000 0.282 67 I C -0.425 175.763 176.117 0.120 0.000 1.019 67 I CA -0.679 60.587 61.300 -0.056 0.000 1.130 67 I CB 1.564 39.432 38.000 -0.221 0.000 1.262 67 I HN 0.536 nan 8.210 nan 0.000 0.454 68 A N 7.488 130.382 122.820 0.123 0.000 2.260 68 A HA 0.646 4.966 4.320 -0.000 0.000 0.308 68 A C -0.504 177.177 177.584 0.162 0.000 1.254 68 A CA -0.498 51.611 52.037 0.119 0.000 0.874 68 A CB 0.291 19.325 19.000 0.057 0.000 1.153 68 A HN 0.580 nan 8.150 nan 0.000 0.527 69 L N 3.537 124.849 121.223 0.149 0.000 2.418 69 L HA 0.324 4.663 4.340 -0.000 0.000 0.274 69 L C 0.790 177.636 176.870 -0.039 0.000 1.135 69 L CA 1.161 56.025 54.840 0.041 0.000 0.870 69 L CB -0.078 41.958 42.059 -0.038 0.000 1.154 69 L HN 0.734 nan 8.230 nan 0.000 0.462 70 R N 4.137 124.615 120.500 -0.038 0.000 2.725 70 R HA 0.589 4.929 4.340 -0.000 0.000 0.277 70 R C -2.677 173.603 176.300 -0.034 0.000 0.987 70 R CA -1.946 54.129 56.100 -0.042 0.000 0.901 70 R CB 1.570 31.887 30.300 0.028 0.000 1.207 70 R HN 0.274 nan 8.270 nan 0.000 0.463 71 P HA 0.103 nan 4.420 nan 0.000 0.274 71 P C -0.524 176.795 177.300 0.032 0.000 1.237 71 P CA -0.093 63.063 63.100 0.092 0.000 0.793 71 P CB 1.168 32.935 31.700 0.111 0.000 0.977 72 T N 0.352 114.866 114.554 -0.066 0.000 2.885 72 T HA 0.488 4.837 4.350 -0.000 0.000 0.322 72 T C -2.138 172.432 174.700 -0.217 0.000 1.387 72 T CA -0.543 61.536 62.100 -0.034 0.000 1.041 72 T CB 0.395 69.278 68.868 0.025 0.000 1.287 72 T HN 0.190 nan 8.240 nan 0.000 0.491 73 W N 2.726 124.045 121.300 0.031 0.000 2.391 73 W HA 0.667 5.326 4.660 -0.001 0.000 0.311 73 W C -0.645 175.876 176.519 0.004 0.000 1.087 73 W CA -0.528 56.825 57.345 0.013 0.000 1.209 73 W CB 1.600 31.065 29.460 0.009 0.000 1.273 73 W HN 0.425 nan 8.180 nan 0.000 0.482 74 V N 4.397 124.404 119.914 0.154 0.000 2.409 74 V HA 0.344 4.463 4.120 -0.000 0.000 0.291 74 V C -0.087 176.059 176.094 0.086 0.000 1.020 74 V CA -1.275 61.072 62.300 0.078 0.000 0.848 74 V CB 1.549 33.377 31.823 0.007 0.000 0.990 74 V HN 0.259 nan 8.190 nan 0.000 0.430 75 R N 3.883 124.421 120.500 0.063 0.000 2.429 75 R HA 0.341 4.681 4.340 -0.000 0.000 0.302 75 R C 0.792 177.093 176.300 0.001 0.000 1.268 75 R CA 0.093 56.214 56.100 0.035 0.000 1.090 75 R CB -0.406 29.905 30.300 0.019 0.000 1.102 75 R HN 0.767 nan 8.270 nan 0.000 0.522 76 L N 1.401 122.622 121.223 -0.003 0.000 2.131 76 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 76 L C 0.846 177.710 176.870 -0.010 0.000 1.092 76 L CA 1.020 55.842 54.840 -0.029 0.000 0.759 76 L CB -0.200 41.818 42.059 -0.069 0.000 0.903 76 L HN 0.603 nan 8.230 nan 0.000 0.435 77 H N -2.381 116.626 119.070 -0.105 0.000 3.112 77 H HA 0.132 4.688 4.556 -0.000 0.000 0.347 77 H C -2.302 172.989 175.328 -0.063 0.000 1.188 77 H CA -1.065 54.922 56.048 -0.103 0.000 1.240 77 H CB 2.324 31.981 29.762 -0.175 0.000 1.920 77 H HN -0.321 nan 8.280 nan 0.000 0.535 78 P HA -0.071 nan 4.420 nan 0.000 0.219 78 P C 0.747 178.090 177.300 0.072 0.000 1.146 78 P CA 1.286 64.344 63.100 -0.070 0.000 0.808 78 P CB 0.318 31.943 31.700 -0.126 0.000 0.779 79 Q N -1.369 118.599 119.800 0.280 0.000 2.365 79 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 79 Q C 0.347 176.389 176.000 0.069 0.000 0.929 79 Q CA 0.067 55.971 55.803 0.167 0.000 0.948 79 Q CB -0.051 28.782 28.738 0.159 0.000 1.043 79 Q HN 0.305 nan 8.270 nan 0.000 0.505 80 L N 1.015 122.278 121.223 0.067 0.000 2.313 80 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 80 L C -2.157 174.721 176.870 0.013 0.000 1.010 80 L CA -2.480 52.361 54.840 0.001 0.000 0.814 80 L CB 1.210 43.246 42.059 -0.038 0.000 1.304 80 L HN -0.082 nan 8.230 nan 0.000 0.441 81 P HA 0.260 nan 4.420 nan 0.000 0.274 81 P C -2.714 174.625 177.300 0.065 0.000 1.256 81 P CA -1.654 61.460 63.100 0.024 0.000 0.795 81 P CB -0.403 31.309 31.700 0.021 0.000 1.038 82 P HA 0.134 nan 4.420 nan 0.000 0.269 82 P C -0.397 177.134 177.300 0.385 0.000 1.209 82 P CA 0.544 63.781 63.100 0.228 0.000 0.776 82 P CB -0.015 31.829 31.700 0.240 0.000 0.876 83 T N 3.159 117.883 114.554 0.282 0.000 2.794 83 T HA 0.351 4.701 4.350 -0.000 0.000 0.280 83 T C -0.190 174.389 174.700 -0.202 0.000 0.987 83 T CA -0.453 61.699 62.100 0.087 0.000 0.993 83 T CB 0.498 69.353 68.868 -0.021 0.000 0.939 83 T HN 0.158 nan 8.240 nan 0.000 0.449 84 L N 4.639 125.504 121.223 -0.597 0.000 2.380 84 L HA 0.578 4.918 4.340 -0.000 0.000 0.273 84 L C -0.507 176.010 176.870 -0.588 0.000 1.138 84 L CA 0.569 54.757 54.840 -1.085 0.000 0.832 84 L CB -0.220 41.199 42.059 -1.066 0.000 1.124 84 L HN 0.683 nan 8.230 nan 0.000 0.454 85 M N 3.350 122.653 119.600 -0.495 0.000 2.683 85 M HA 0.333 4.813 4.480 -0.000 0.000 0.274 85 M C -1.705 174.536 176.300 -0.099 0.000 1.272 85 M CA -0.606 54.505 55.300 -0.314 0.000 0.833 85 M CB 2.308 34.802 32.600 -0.177 0.000 1.708 85 M HN 0.400 nan 8.290 nan 0.000 0.463 86 W N 0.778 121.940 121.300 -0.229 0.000 2.475 86 W HA 0.720 5.380 4.660 0.000 0.000 0.317 86 W C -0.121 176.285 176.519 -0.188 0.000 1.046 86 W CA -1.117 56.110 57.345 -0.197 0.000 1.215 86 W CB 1.478 30.819 29.460 -0.197 0.000 1.335 86 W HN 0.674 nan 8.180 nan 0.000 0.471 87 G N 2.310 111.139 108.800 0.048 0.000 2.617 87 G HA2 0.514 4.474 3.960 -0.000 0.000 0.306 87 G HA3 0.514 4.474 3.960 -0.000 0.000 0.306 87 G C -1.858 173.058 174.900 0.026 0.000 1.360 87 G CA -0.716 44.379 45.100 -0.009 0.000 0.983 87 G HN 0.172 nan 8.290 nan 0.000 0.496 88 Y N 1.466 121.868 120.300 0.170 0.000 2.721 88 Y HA 0.064 4.614 4.550 -0.000 0.000 0.329 88 Y C 1.102 177.099 175.900 0.163 0.000 1.211 88 Y CA 0.673 58.911 58.100 0.231 0.000 1.512 88 Y CB 0.470 39.175 38.460 0.409 0.000 1.249 88 Y HN 0.645 nan 8.280 nan 0.000 0.549 89 D N 2.091 122.657 120.400 0.278 0.000 2.882 89 D HA -0.204 4.436 4.640 -0.000 0.000 0.229 89 D C 1.263 177.637 176.300 0.122 0.000 1.167 89 D CA 1.790 55.887 54.000 0.162 0.000 0.759 89 D CB -1.236 39.648 40.800 0.140 0.000 1.088 89 D HN 1.098 nan 8.370 nan 0.000 0.425 90 G N -1.045 107.822 108.800 0.112 0.000 2.160 90 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.251 90 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.251 90 G C -0.009 174.935 174.900 0.073 0.000 1.008 90 G CA 0.426 45.574 45.100 0.079 0.000 0.724 90 G HN 0.394 nan 8.290 nan 0.000 0.514 91 Q N -0.652 119.201 119.800 0.088 0.000 2.342 91 Q HA 0.703 5.043 4.340 -0.000 0.000 0.267 91 Q C -0.460 175.554 176.000 0.023 0.000 1.038 91 Q CA -0.721 55.120 55.803 0.063 0.000 0.832 91 Q CB 2.826 31.616 28.738 0.086 0.000 1.323 91 Q HN 0.358 nan 8.270 nan 0.000 0.448 92 V N 3.093 122.992 119.914 -0.026 0.000 2.525 92 V HA 0.339 4.458 4.120 -0.000 0.000 0.299 92 V C -2.230 173.787 176.094 -0.128 0.000 1.034 92 V CA -1.713 60.516 62.300 -0.119 0.000 0.863 92 V CB 1.861 33.635 31.823 -0.082 0.000 0.999 92 V HN 0.608 nan 8.190 nan 0.000 0.423 93 P HA 0.201 nan 4.420 nan 0.000 0.271 93 P C 0.544 177.760 177.300 -0.141 0.000 1.244 93 P CA 0.191 63.018 63.100 -0.455 0.000 0.793 93 P CB 0.472 31.944 31.700 -0.379 0.000 0.984 94 G N 0.952 109.734 108.800 -0.030 0.000 2.716 94 G HA2 0.243 4.202 3.960 -0.000 0.000 0.251 94 G HA3 0.243 4.202 3.960 -0.000 0.000 0.251 94 G C -2.436 172.611 174.900 0.245 0.000 1.224 94 G CA -0.796 44.465 45.100 0.268 0.000 0.891 94 G HN 0.332 nan 8.290 nan 0.000 0.561 95 P HA 0.130 nan 4.420 nan 0.000 0.267 95 P C 0.108 177.557 177.300 0.248 0.000 1.200 95 P CA 0.166 63.387 63.100 0.202 0.000 0.772 95 P CB 0.465 32.255 31.700 0.150 0.000 0.855 96 T N 4.035 118.682 114.554 0.155 0.000 2.752 96 T HA 0.262 4.611 4.350 -0.000 0.000 0.295 96 T C 0.632 175.378 174.700 0.076 0.000 0.923 96 T CA 0.088 62.277 62.100 0.148 0.000 1.112 96 T CB -0.591 68.331 68.868 0.090 0.000 0.884 96 T HN 0.175 nan 8.240 nan 0.000 0.525 97 I N 3.307 123.918 120.570 0.068 0.000 2.428 97 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 97 I C 0.672 176.610 176.117 -0.297 0.000 1.019 97 I CA -0.182 61.023 61.300 -0.158 0.000 1.351 97 I CB 0.956 38.789 38.000 -0.278 0.000 1.412 97 I HN 0.541 nan 8.210 nan 0.000 0.513 98 E N 6.025 126.057 120.200 -0.280 0.000 2.256 98 E HA 0.666 5.015 4.350 -0.000 0.000 0.268 98 E C -1.528 174.920 176.600 -0.253 0.000 0.877 98 E CA -0.647 55.603 56.400 -0.250 0.000 0.757 98 E CB 2.226 31.849 29.700 -0.130 0.000 1.183 98 E HN 0.444 nan 8.360 nan 0.000 0.418 99 V N 0.715 120.479 119.914 -0.250 0.000 3.181 99 V HA 0.685 4.805 4.120 -0.000 0.000 0.308 99 V C -0.994 175.040 176.094 -0.101 0.000 1.214 99 V CA -1.127 61.078 62.300 -0.157 0.000 1.053 99 V CB 1.977 33.717 31.823 -0.139 0.000 1.069 99 V HN 0.635 nan 8.190 nan 0.000 0.441 100 R N 0.899 121.368 120.500 -0.051 0.000 2.604 100 R HA 0.555 4.894 4.340 -0.000 0.000 0.287 100 R C -0.033 176.265 176.300 -0.004 0.000 0.970 100 R CA -0.895 55.184 56.100 -0.033 0.000 0.946 100 R CB 1.746 32.033 30.300 -0.023 0.000 1.127 100 R HN 0.909 nan 8.270 nan 0.000 0.473 101 R N 0.638 121.137 120.500 -0.003 0.000 2.538 101 R HA -0.149 4.191 4.340 -0.000 0.000 0.273 101 R C 0.696 177.022 176.300 0.043 0.000 0.967 101 R CA 1.894 58.011 56.100 0.029 0.000 1.101 101 R CB -0.074 30.236 30.300 0.015 0.000 0.908 101 R HN 0.928 nan 8.270 nan 0.000 0.411 102 G N 2.501 111.345 108.800 0.073 0.000 2.225 102 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.254 102 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.254 102 G C -0.132 174.808 174.900 0.066 0.000 0.988 102 G CA 0.374 45.514 45.100 0.066 0.000 0.625 102 G HN 0.649 nan 8.290 nan 0.000 0.527 103 Q N 0.864 120.704 119.800 0.066 0.000 2.369 103 Q HA 0.350 4.690 4.340 -0.000 0.000 0.247 103 Q C 0.628 176.685 176.000 0.094 0.000 1.083 103 Q CA -0.391 55.448 55.803 0.060 0.000 0.905 103 Q CB 0.648 29.407 28.738 0.035 0.000 1.305 103 Q HN 0.421 nan 8.270 nan 0.000 0.465 104 R N 2.312 122.862 120.500 0.085 0.000 2.421 104 R HA 0.154 4.494 4.340 -0.000 0.000 0.305 104 R C -0.403 175.951 176.300 0.089 0.000 1.039 104 R CA -0.073 56.086 56.100 0.099 0.000 1.003 104 R CB 0.312 30.653 30.300 0.068 0.000 0.959 104 R HN 0.446 nan 8.270 nan 0.000 0.427 105 V N 1.765 121.759 119.914 0.133 0.000 2.914 105 V HA 0.678 4.798 4.120 -0.000 0.000 0.314 105 V C -0.751 175.383 176.094 0.068 0.000 1.084 105 V CA -1.103 61.258 62.300 0.102 0.000 0.963 105 V CB 2.210 34.111 31.823 0.130 0.000 1.025 105 V HN 0.773 nan 8.190 nan 0.000 0.432 106 R N 3.319 123.815 120.500 -0.007 0.000 2.534 106 R HA 0.771 5.111 4.340 -0.000 0.000 0.301 106 R C -1.371 174.850 176.300 -0.132 0.000 0.961 106 R CA -0.631 55.419 56.100 -0.082 0.000 0.871 106 R CB 2.422 32.674 30.300 -0.081 0.000 1.170 106 R HN 0.785 nan 8.270 nan 0.000 0.446 107 I N 1.396 121.831 120.570 -0.224 0.000 2.545 107 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 107 I C -0.448 175.400 176.117 -0.449 0.000 1.040 107 I CA -0.763 60.290 61.300 -0.412 0.000 1.068 107 I CB 2.258 39.867 38.000 -0.651 0.000 1.251 107 I HN 0.662 nan 8.210 nan 0.000 0.424 108 A N 6.351 128.938 122.820 -0.388 0.000 2.322 108 A HA 0.441 4.760 4.320 -0.000 0.000 0.327 108 A C -1.466 175.989 177.584 -0.215 0.000 1.394 108 A CA -0.350 51.550 52.037 -0.227 0.000 0.921 108 A CB -0.183 18.743 19.000 -0.124 0.000 1.153 108 A HN 0.685 nan 8.150 nan 0.000 0.523 109 W N 2.481 123.780 121.300 -0.001 0.000 2.546 109 W HA 0.395 5.055 4.660 0.000 0.000 0.323 109 W C 0.017 176.557 176.519 0.035 0.000 1.272 109 W CA 0.007 57.376 57.345 0.041 0.000 1.404 109 W CB 0.708 30.209 29.460 0.068 0.000 1.411 109 W HN 0.495 nan 8.180 nan 0.000 0.480 110 T N 3.540 118.219 114.554 0.207 0.000 2.772 110 T HA 0.059 4.408 4.350 -0.000 0.000 0.288 110 T C -0.102 174.633 174.700 0.059 0.000 0.994 110 T CA -0.838 61.311 62.100 0.082 0.000 0.951 110 T CB 0.499 69.371 68.868 0.007 0.000 0.933 110 T HN 0.185 nan 8.240 nan 0.000 0.447 111 N N 3.103 121.812 118.700 0.016 0.000 2.406 111 N HA 0.030 4.770 4.740 -0.000 0.000 0.265 111 N C 0.404 175.863 175.510 -0.085 0.000 1.203 111 N CA -0.134 52.904 53.050 -0.019 0.000 0.945 111 N CB 0.328 38.816 38.487 0.001 0.000 1.165 111 N HN 0.424 nan 8.380 nan 0.000 0.485 112 R N 3.876 124.360 120.500 -0.027 0.000 2.700 112 R HA 0.277 4.617 4.340 -0.000 0.000 0.377 112 R C -0.233 176.192 176.300 0.209 0.000 1.130 112 R CA -0.302 55.825 56.100 0.046 0.000 1.055 112 R CB 0.218 30.534 30.300 0.026 0.000 1.387 112 R HN 0.528 nan 8.270 nan 0.000 0.580 113 I N 3.214 123.861 120.570 0.129 0.000 2.301 113 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 113 I C -2.110 174.004 176.117 -0.005 0.000 1.046 113 I CA -2.141 59.101 61.300 -0.096 0.000 1.282 113 I CB 1.061 38.680 38.000 -0.636 0.000 1.409 113 I HN -0.304 nan 8.210 nan 0.000 0.484 114 P HA -0.002 nan 4.420 nan 0.000 0.266 114 P C -0.510 176.531 177.300 -0.433 0.000 1.193 114 P CA -0.157 62.532 63.100 -0.685 0.000 0.770 114 P CB 0.462 31.934 31.700 -0.381 0.000 0.836 115 K N 1.568 121.655 120.400 -0.521 0.000 2.485 115 K HA 0.234 4.554 4.320 -0.000 0.000 0.277 115 K C 1.483 178.009 176.600 -0.124 0.000 0.990 115 K CA 1.583 57.744 56.287 -0.208 0.000 0.994 115 K CB -0.476 31.925 32.500 -0.166 0.000 0.906 115 K HN 0.789 nan 8.250 nan 0.000 0.488 116 G N 1.255 110.036 108.800 -0.032 0.000 2.199 116 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 116 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 116 G C 0.055 174.981 174.900 0.043 0.000 0.982 116 G CA 0.224 45.325 45.100 0.002 0.000 0.632 116 G HN 0.562 nan 8.290 nan 0.000 0.529 117 S N 0.943 116.680 115.700 0.061 0.000 2.552 117 S HA 0.263 4.733 4.470 -0.000 0.000 0.289 117 S C 0.552 175.275 174.600 0.205 0.000 1.304 117 S CA 0.027 58.313 58.200 0.143 0.000 1.063 117 S CB 1.098 64.410 63.200 0.186 0.000 0.848 117 S HN 0.473 nan 8.310 nan 0.000 0.499 118 E N 1.879 122.175 120.200 0.161 0.000 2.417 118 E HA -0.036 4.313 4.350 -0.000 0.000 0.261 118 E C -0.785 175.877 176.600 0.103 0.000 1.000 118 E CA -0.090 56.381 56.400 0.117 0.000 0.919 118 E CB 0.324 30.063 29.700 0.065 0.000 0.955 118 E HN 0.561 nan 8.360 nan 0.000 0.455 119 Y N 6.183 126.458 120.300 -0.042 0.000 2.632 119 Y HA 0.043 4.593 4.550 -0.000 0.000 0.329 119 Y C -1.786 173.883 175.900 -0.384 0.000 1.174 119 Y CA -1.443 56.503 58.100 -0.258 0.000 1.469 119 Y CB 0.939 39.260 38.460 -0.230 0.000 1.242 119 Y HN 0.541 nan 8.280 nan 0.000 0.540 120 P HA -0.039 nan 4.420 nan 0.000 0.229 120 P C -0.851 176.145 177.300 -0.506 0.000 1.160 120 P CA 0.861 63.483 63.100 -0.797 0.000 0.777 120 P CB 0.305 31.352 31.700 -1.089 0.000 0.814 121 V N 0.011 119.656 119.914 -0.448 0.000 2.384 121 V HA 0.222 4.342 4.120 -0.000 0.000 0.287 121 V C 0.282 176.357 176.094 -0.032 0.000 1.020 121 V CA -0.413 61.800 62.300 -0.145 0.000 0.850 121 V CB 1.425 33.238 31.823 -0.015 0.000 0.987 121 V HN -0.115 nan 8.190 nan 0.000 0.436 122 T N 3.600 118.138 114.554 -0.027 0.000 2.869 122 T HA 0.304 4.654 4.350 -0.000 0.000 0.295 122 T C 0.184 174.893 174.700 0.016 0.000 0.987 122 T CA 0.048 62.135 62.100 -0.022 0.000 1.109 122 T CB 1.204 70.073 68.868 0.001 0.000 0.932 122 T HN 0.697 nan 8.240 nan 0.000 0.518 123 S N 2.428 118.098 115.700 -0.051 0.000 2.454 123 S HA 0.709 5.179 4.470 -0.000 0.000 0.306 123 S C -0.567 174.089 174.600 0.094 0.000 1.100 123 S CA -0.717 57.521 58.200 0.064 0.000 1.087 123 S CB 0.297 63.420 63.200 -0.128 0.000 1.019 123 S HN 0.684 nan 8.310 nan 0.000 0.480 124 V N 2.176 122.198 119.914 0.179 0.000 2.841 124 V HA 0.704 4.824 4.120 -0.000 0.000 0.310 124 V C -0.954 175.239 176.094 0.165 0.000 1.090 124 V CA -0.908 61.472 62.300 0.134 0.000 0.930 124 V CB 1.855 33.736 31.823 0.097 0.000 1.014 124 V HN 0.846 nan 8.190 nan 0.000 0.425 125 E N 2.734 123.014 120.200 0.133 0.000 2.156 125 E HA 0.608 4.958 4.350 -0.000 0.000 0.279 125 E C -0.531 176.121 176.600 0.086 0.000 0.965 125 E CA -0.656 55.818 56.400 0.122 0.000 0.789 125 E CB 2.475 32.250 29.700 0.124 0.000 1.098 125 E HN 0.939 nan 8.360 nan 0.000 0.397 126 V N 0.388 120.346 119.914 0.074 0.000 2.769 126 V HA 0.600 4.720 4.120 -0.000 0.000 0.312 126 V C -2.654 173.466 176.094 0.043 0.000 1.058 126 V CA -2.820 59.512 62.300 0.053 0.000 0.952 126 V CB 1.375 33.226 31.823 0.046 0.000 1.019 126 V HN 0.414 nan 8.190 nan 0.000 0.445 127 P HA 0.271 nan 4.420 nan 0.000 0.272 127 P C 0.939 178.249 177.300 0.017 0.000 1.240 127 P CA -0.264 62.851 63.100 0.025 0.000 0.791 127 P CB 0.699 32.411 31.700 0.020 0.000 0.978 128 L N 0.271 121.501 121.223 0.012 0.000 2.046 128 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 128 L C 1.104 177.970 176.870 -0.006 0.000 1.077 128 L CA 1.725 56.566 54.840 0.003 0.000 0.747 128 L CB -1.018 41.041 42.059 0.001 0.000 0.896 128 L HN 0.775 nan 8.230 nan 0.000 0.432 129 G N -0.746 108.052 108.800 -0.004 0.000 2.755 129 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 129 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 129 G C -2.456 172.436 174.900 -0.014 0.000 1.427 129 G CA -0.932 44.162 45.100 -0.009 0.000 0.873 129 G HN 0.123 nan 8.290 nan 0.000 0.580 130 P HA 0.288 nan 4.420 nan 0.000 0.264 130 P C -2.040 175.246 177.300 -0.022 0.000 1.183 130 P CA -0.450 62.640 63.100 -0.016 0.000 0.763 130 P CB 0.076 31.766 31.700 -0.017 0.000 0.807 131 P HA 0.084 nan 4.420 nan 0.000 0.269 131 P C 1.155 178.438 177.300 -0.029 0.000 1.209 131 P CA 0.890 63.975 63.100 -0.024 0.000 0.776 131 P CB 0.332 32.021 31.700 -0.019 0.000 0.876 132 G N 1.271 110.050 108.800 -0.035 0.000 2.900 132 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.223 132 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.223 132 G C 0.507 175.380 174.900 -0.045 0.000 1.293 132 G CA 0.484 45.561 45.100 -0.038 0.000 0.792 132 G HN 0.886 nan 8.290 nan 0.000 0.527 133 T N 1.431 115.960 114.554 -0.042 0.000 2.802 133 T HA 0.525 4.875 4.350 -0.000 0.000 0.305 133 T C -2.089 172.575 174.700 -0.061 0.000 1.053 133 T CA -0.367 61.704 62.100 -0.049 0.000 1.058 133 T CB 1.164 70.008 68.868 -0.039 0.000 0.988 133 T HN 0.324 nan 8.240 nan 0.000 0.539 134 P HA 0.336 nan 4.420 nan 0.000 0.265 134 P C -0.249 177.002 177.300 -0.082 0.000 1.193 134 P CA -0.204 62.841 63.100 -0.091 0.000 0.765 134 P CB 0.048 31.684 31.700 -0.107 0.000 0.823 135 A N 6.251 129.014 122.820 -0.094 0.000 2.555 135 A HA 0.123 4.443 4.320 -0.000 0.000 0.233 135 A C -1.180 176.360 177.584 -0.073 0.000 1.060 135 A CA -0.502 51.487 52.037 -0.081 0.000 0.759 135 A CB -0.881 18.059 19.000 -0.100 0.000 0.995 135 A HN 0.445 nan 8.150 nan 0.000 0.506 136 P HA -0.127 nan 4.420 nan 0.000 0.222 136 P C 0.708 177.984 177.300 -0.039 0.000 1.147 136 P CA 1.337 64.418 63.100 -0.031 0.000 0.790 136 P CB -0.094 31.601 31.700 -0.008 0.000 0.780 137 N N -0.941 117.723 118.700 -0.060 0.000 2.521 137 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 137 N C 0.822 176.256 175.510 -0.127 0.000 1.146 137 N CA 1.047 54.043 53.050 -0.089 0.000 0.893 137 N CB -1.670 36.754 38.487 -0.106 0.000 0.975 137 N HN 0.162 nan 8.380 nan 0.000 0.451 138 T N -3.809 110.669 114.554 -0.126 0.000 3.144 138 T HA 0.218 4.568 4.350 -0.000 0.000 0.249 138 T C 0.021 174.640 174.700 -0.134 0.000 1.089 138 T CA -0.259 61.742 62.100 -0.166 0.000 0.989 138 T CB -0.090 68.663 68.868 -0.190 0.000 0.992 138 T HN 0.170 nan 8.240 nan 0.000 0.540 139 E N 2.103 122.265 120.200 -0.064 0.000 2.293 139 E HA 0.435 4.785 4.350 -0.000 0.000 0.270 139 E C -2.772 173.868 176.600 0.068 0.000 0.879 139 E CA -2.806 53.596 56.400 0.004 0.000 0.756 139 E CB 2.499 32.205 29.700 0.009 0.000 1.208 139 E HN 0.138 nan 8.360 nan 0.000 0.428 140 P HA 0.167 nan 4.420 nan 0.000 0.274 140 P C 0.150 177.523 177.300 0.122 0.000 1.260 140 P CA 0.197 63.414 63.100 0.195 0.000 0.793 140 P CB 0.473 32.329 31.700 0.260 0.000 1.048 141 G N 0.473 109.340 108.800 0.112 0.000 2.787 141 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.685 141 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.685 141 G C 0.188 175.132 174.900 0.073 0.000 1.437 141 G CA -0.384 44.764 45.100 0.080 0.000 0.872 141 G HN 0.542 nan 8.290 nan 0.000 0.566 142 R N 1.134 121.670 120.500 0.060 0.000 2.334 142 R HA 0.411 4.750 4.340 -0.000 0.000 0.220 142 R C 2.175 178.503 176.300 0.046 0.000 0.917 142 R CA 1.485 57.619 56.100 0.057 0.000 1.073 142 R CB -0.148 30.182 30.300 0.050 0.000 1.056 142 R HN 2.054 nan 8.270 nan 0.000 0.506 143 G N 0.277 109.102 108.800 0.042 0.000 2.629 143 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.313 143 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.313 143 G C 0.691 175.609 174.900 0.029 0.000 1.217 143 G CA 0.128 45.248 45.100 0.033 0.000 0.994 143 G HN 0.450 nan 8.290 nan 0.000 0.549 144 G N -0.756 108.060 108.800 0.026 0.000 3.453 144 G HA2 0.510 4.469 3.960 -0.000 0.000 0.263 144 G HA3 0.510 4.469 3.960 -0.000 0.000 0.263 144 G C 0.287 175.202 174.900 0.024 0.000 1.060 144 G CA 0.883 45.997 45.100 0.023 0.000 0.793 144 G HN 0.991 nan 8.290 nan 0.000 0.532 145 V N 0.986 120.917 119.914 0.029 0.000 2.637 145 V HA 0.156 4.276 4.120 -0.000 0.000 0.296 145 V C 0.484 176.594 176.094 0.028 0.000 1.046 145 V CA -0.573 61.745 62.300 0.030 0.000 1.066 145 V CB 1.527 33.373 31.823 0.039 0.000 0.968 145 V HN 0.297 nan 8.190 nan 0.000 0.483 146 E N 6.865 127.078 120.200 0.021 0.000 2.376 146 E HA 0.191 4.541 4.350 -0.000 0.000 0.266 146 E C -2.405 174.202 176.600 0.011 0.000 1.009 146 E CA -1.508 54.900 56.400 0.013 0.000 0.902 146 E CB 0.605 30.310 29.700 0.008 0.000 0.972 146 E HN 0.413 nan 8.360 nan 0.000 0.439 147 P HA -0.034 nan 4.420 nan 0.000 0.266 147 P C -0.579 176.701 177.300 -0.033 0.000 1.195 147 P CA -0.067 63.026 63.100 -0.011 0.000 0.768 147 P CB 0.373 32.060 31.700 -0.021 0.000 0.838 148 N N 3.467 122.136 118.700 -0.052 0.000 2.417 148 N HA -0.082 4.657 4.740 -0.000 0.000 0.272 148 N C 0.876 176.307 175.510 -0.132 0.000 1.304 148 N CA 0.373 53.370 53.050 -0.087 0.000 0.906 148 N CB 0.339 38.760 38.487 -0.111 0.000 1.135 148 N HN 0.134 nan 8.380 nan 0.000 0.483 149 K N 2.700 123.041 120.400 -0.098 0.000 2.211 149 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 149 K C 0.760 177.276 176.600 -0.140 0.000 1.050 149 K CA 0.883 57.110 56.287 -0.100 0.000 0.945 149 K CB 0.075 32.537 32.500 -0.064 0.000 0.732 149 K HN 0.570 nan 8.250 nan 0.000 0.451 150 D N 0.576 120.882 120.400 -0.156 0.000 2.144 150 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 150 D C 1.977 178.086 176.300 -0.319 0.000 0.978 150 D CA 0.742 54.630 54.000 -0.187 0.000 0.833 150 D CB -0.015 40.699 40.800 -0.145 0.000 0.961 150 D HN -0.083 nan 8.370 nan 0.000 0.470 151 V N 1.470 121.109 119.914 -0.459 0.000 2.379 151 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 151 V C 2.569 178.306 176.094 -0.594 0.000 1.044 151 V CA 1.556 63.400 62.300 -0.761 0.000 1.036 151 V CB -0.805 30.368 31.823 -1.084 0.000 0.664 151 V HN 0.155 nan 8.190 nan 0.000 0.453 152 A N 0.121 122.737 122.820 -0.339 0.000 2.024 152 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 152 A C 2.216 179.726 177.584 -0.125 0.000 1.164 152 A CA 1.981 53.915 52.037 -0.172 0.000 0.643 152 A CB -0.540 18.398 19.000 -0.104 0.000 0.806 152 A HN 0.602 nan 8.150 nan 0.000 0.451 153 A N -0.935 121.786 122.820 -0.165 0.000 2.251 153 A HA 0.436 4.756 4.320 -0.000 0.000 0.209 153 A C 0.796 178.317 177.584 -0.105 0.000 1.187 153 A CA -0.329 51.647 52.037 -0.102 0.000 0.823 153 A CB -0.365 18.576 19.000 -0.099 0.000 0.846 153 A HN 0.419 nan 8.150 nan 0.000 0.486 154 L N 2.293 123.383 121.223 -0.222 0.000 2.559 154 L HA 0.125 4.465 4.340 -0.000 0.000 0.274 154 L C -1.762 175.174 176.870 0.109 0.000 1.205 154 L CA -1.215 53.520 54.840 -0.174 0.000 0.907 154 L CB 0.337 42.080 42.059 -0.526 0.000 1.153 154 L HN 0.226 nan 8.230 nan 0.000 0.490 155 P HA 0.162 nan 4.420 nan 0.000 0.276 155 P C -0.935 176.632 177.300 0.445 0.000 1.261 155 P CA -0.721 62.532 63.100 0.254 0.000 0.800 155 P CB 0.805 32.584 31.700 0.132 0.000 1.066 156 A N 1.051 124.074 122.820 0.339 0.000 2.476 156 A HA 0.226 4.546 4.320 -0.000 0.000 0.275 156 A C -0.911 176.862 177.584 0.316 0.000 1.133 156 A CA 0.102 52.225 52.037 0.144 0.000 0.797 156 A CB -1.110 17.596 19.000 -0.490 0.000 1.081 156 A HN 0.610 nan 8.150 nan 0.000 0.510 157 W N 2.836 124.242 121.300 0.177 0.000 2.740 157 W HA 0.533 5.193 4.660 -0.001 0.000 0.316 157 W C -0.652 175.956 176.519 0.148 0.000 1.020 157 W CA -0.283 57.143 57.345 0.135 0.000 1.278 157 W CB 1.341 30.879 29.460 0.130 0.000 1.224 157 W HN 0.658 nan 8.180 nan 0.000 0.393 158 S N 4.202 119.770 115.700 -0.220 0.000 2.540 158 S HA 0.838 5.308 4.470 -0.000 0.000 0.275 158 S C -2.144 172.306 174.600 -0.250 0.000 1.123 158 S CA -0.590 57.501 58.200 -0.182 0.000 0.907 158 S CB 1.610 64.808 63.200 -0.005 0.000 1.081 158 S HN 0.470 nan 8.310 nan 0.000 0.476 159 V N 3.464 123.244 119.914 -0.224 0.000 2.841 159 V HA 0.736 4.855 4.120 -0.000 0.000 0.310 159 V C -0.810 175.187 176.094 -0.162 0.000 1.090 159 V CA -0.185 62.002 62.300 -0.189 0.000 0.930 159 V CB 2.428 34.109 31.823 -0.238 0.000 1.014 159 V HN 0.973 nan 8.190 nan 0.000 0.425 160 T N 4.647 119.026 114.554 -0.292 0.000 2.797 160 T HA 0.486 4.836 4.350 -0.000 0.000 0.279 160 T C -1.235 173.212 174.700 -0.421 0.000 0.991 160 T CA -0.066 61.734 62.100 -0.500 0.000 0.979 160 T CB 0.677 68.751 68.868 -1.324 0.000 0.943 160 T HN 0.830 nan 8.240 nan 0.000 0.444 161 H N 2.696 121.476 119.070 -0.483 0.000 2.505 161 H HA 0.546 5.102 4.556 -0.000 0.000 0.338 161 H C -1.007 174.027 175.328 -0.490 0.000 1.057 161 H CA -1.231 54.568 56.048 -0.414 0.000 1.202 161 H CB 0.700 30.260 29.762 -0.336 0.000 1.466 161 H HN 0.374 nan 8.280 nan 0.000 0.499 162 L N 6.491 127.291 121.223 -0.704 0.000 2.334 162 L HA 0.203 4.543 4.340 -0.000 0.000 0.286 162 L C -0.466 175.726 176.870 -1.130 0.000 1.108 162 L CA -0.144 54.212 54.840 -0.805 0.000 0.875 162 L CB -0.689 40.887 42.059 -0.805 0.000 1.246 162 L HN 0.837 nan 8.230 nan 0.000 0.439 163 H N 4.772 123.117 119.070 -1.208 0.000 2.955 163 H HA 0.456 5.011 4.556 -0.000 0.000 0.290 163 H C 1.202 176.148 175.328 -0.638 0.000 1.047 163 H CA 0.942 56.411 56.048 -0.964 0.000 1.484 163 H CB 0.504 29.774 29.762 -0.820 0.000 1.501 163 H HN 0.901 nan 8.280 nan 0.000 0.521 164 G N 2.668 111.128 108.800 -0.566 0.000 2.218 164 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 164 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 164 G C 0.288 174.326 174.900 -1.437 0.000 0.994 164 G CA -0.132 44.544 45.100 -0.706 0.000 0.637 164 G HN 0.947 nan 8.290 nan 0.000 0.505 165 A N 0.431 122.294 122.820 -1.594 0.000 2.401 165 A HA 0.635 4.955 4.320 -0.000 0.000 0.259 165 A C 0.527 177.690 177.584 -0.702 0.000 1.103 165 A CA 0.698 51.673 52.037 -1.771 0.000 0.789 165 A CB 0.484 18.773 19.000 -1.187 0.000 1.035 165 A HN 0.649 nan 8.150 nan 0.000 0.491 166 Q N 1.791 121.340 119.800 -0.417 0.000 2.389 166 Q HA 0.446 4.785 4.340 -0.000 0.000 0.244 166 Q C -0.418 175.599 176.000 0.028 0.000 1.056 166 Q CA 0.152 55.909 55.803 -0.077 0.000 0.908 166 Q CB 0.425 29.234 28.738 0.117 0.000 1.273 166 Q HN 0.810 nan 8.270 nan 0.000 0.471 167 T N 1.649 116.255 114.554 0.086 0.000 2.786 167 T HA 0.551 4.901 4.350 -0.000 0.000 0.316 167 T C -0.538 174.342 174.700 0.299 0.000 1.503 167 T CA -0.065 62.137 62.100 0.170 0.000 1.019 167 T CB 1.052 70.042 68.868 0.203 0.000 1.415 167 T HN 0.687 nan 8.240 nan 0.000 0.496 168 G N 0.172 109.105 108.800 0.222 0.000 2.606 168 G HA2 0.443 4.403 3.960 -0.000 0.000 0.252 168 G HA3 0.443 4.403 3.960 -0.000 0.000 0.252 168 G C 1.305 176.221 174.900 0.027 0.000 1.206 168 G CA 0.135 45.377 45.100 0.237 0.000 0.861 168 G HN 1.062 nan 8.290 nan 0.000 0.561 169 G N 0.076 108.634 108.800 -0.403 0.000 2.450 169 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.220 169 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.220 169 G C 1.762 176.484 174.900 -0.298 0.000 1.130 169 G CA 1.364 46.020 45.100 -0.740 0.000 0.760 169 G HN 0.971 nan 8.290 nan 0.000 0.557 170 G N 0.559 109.250 108.800 -0.181 0.000 2.479 170 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 170 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 170 G C 1.566 176.425 174.900 -0.068 0.000 1.115 170 G CA 0.964 45.999 45.100 -0.109 0.000 0.757 170 G HN 0.471 nan 8.290 nan 0.000 0.560 171 N N 0.053 118.719 118.700 -0.056 0.000 2.282 171 N HA 0.010 4.750 4.740 -0.000 0.000 0.185 171 N C 0.964 176.498 175.510 0.040 0.000 1.099 171 N CA 0.402 53.414 53.050 -0.063 0.000 0.878 171 N CB 0.315 38.721 38.487 -0.136 0.000 0.993 171 N HN 0.219 nan 8.380 nan 0.000 0.481 172 D N 0.412 120.857 120.400 0.076 0.000 2.349 172 D HA 0.078 4.718 4.640 -0.000 0.000 0.215 172 D C 0.600 176.992 176.300 0.154 0.000 1.016 172 D CA 0.261 54.378 54.000 0.196 0.000 0.870 172 D CB -0.011 40.921 40.800 0.221 0.000 0.917 172 D HN 0.273 nan 8.370 nan 0.000 0.524 173 G N 1.035 109.862 108.800 0.046 0.000 2.341 173 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.278 173 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.278 173 G C 0.016 174.831 174.900 -0.141 0.000 1.111 173 G CA -0.105 44.964 45.100 -0.051 0.000 0.982 173 G HN 0.358 nan 8.290 nan 0.000 0.502 174 W N 0.382 121.545 121.300 -0.229 0.000 2.409 174 W HA 0.196 4.856 4.660 -0.000 0.000 0.338 174 W C 1.031 177.414 176.519 -0.227 0.000 1.273 174 W CA 0.350 57.549 57.345 -0.243 0.000 1.299 174 W CB 0.448 29.808 29.460 -0.167 0.000 1.192 174 W HN 0.638 nan 8.180 nan 0.000 0.565 175 A N 4.432 126.668 122.820 -0.974 0.000 1.940 175 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 175 A C 1.685 178.989 177.584 -0.466 0.000 1.176 175 A CA 1.970 53.606 52.037 -0.668 0.000 0.631 175 A CB -0.456 18.130 19.000 -0.690 0.000 0.814 175 A HN 0.708 nan 8.150 nan 0.000 0.446 176 D N -0.074 120.078 120.400 -0.413 0.000 2.264 176 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 176 D C 0.539 176.934 176.300 0.158 0.000 0.966 176 D CA 0.859 54.916 54.000 0.095 0.000 0.864 176 D CB -0.454 40.601 40.800 0.426 0.000 0.933 176 D HN 0.637 nan 8.370 nan 0.000 0.499 177 N N 0.365 119.115 118.700 0.083 0.000 2.455 177 N HA 0.271 5.011 4.740 -0.000 0.000 0.258 177 N C -0.175 175.280 175.510 -0.091 0.000 1.158 177 N CA -0.497 52.609 53.050 0.094 0.000 0.893 177 N CB 0.782 39.361 38.487 0.154 0.000 1.173 177 N HN 0.002 nan 8.380 nan 0.000 0.503 178 A N 0.812 123.387 122.820 -0.407 0.000 2.386 178 A HA 0.431 4.751 4.320 -0.000 0.000 0.248 178 A C 0.408 177.789 177.584 -0.338 0.000 1.082 178 A CA -0.341 51.249 52.037 -0.745 0.000 0.789 178 A CB 0.375 18.261 19.000 -1.856 0.000 1.025 178 A HN 0.126 nan 8.150 nan 0.000 0.490 179 V N -0.109 119.703 119.914 -0.169 0.000 2.769 179 V HA 0.875 4.995 4.120 -0.000 0.000 0.312 179 V C 0.554 176.788 176.094 0.234 0.000 1.061 179 V CA -0.130 62.242 62.300 0.120 0.000 0.931 179 V CB 1.054 32.918 31.823 0.069 0.000 1.010 179 V HN 1.264 nan 8.190 nan 0.000 0.433 180 G N 1.472 110.460 108.800 0.314 0.000 2.543 180 G HA2 0.486 4.446 3.960 -0.000 0.000 0.290 180 G HA3 0.486 4.446 3.960 -0.000 0.000 0.290 180 G C -0.598 174.412 174.900 0.183 0.000 1.310 180 G CA -0.837 44.438 45.100 0.291 0.000 1.025 180 G HN 0.934 nan 8.290 nan 0.000 0.502 181 F N 0.368 120.348 119.950 0.050 0.000 2.623 181 F HA 0.339 4.866 4.527 -0.000 0.000 0.383 181 F C 1.454 177.267 175.800 0.021 0.000 1.077 181 F CA 1.551 59.555 58.000 0.007 0.000 1.268 181 F CB 0.538 39.533 39.000 -0.008 0.000 1.053 181 F HN 1.052 nan 8.300 nan 0.000 0.571 182 G N 3.286 111.495 108.800 -0.986 0.000 2.225 182 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 182 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 182 G C -0.158 174.563 174.900 -0.299 0.000 0.988 182 G CA 0.179 44.820 45.100 -0.764 0.000 0.625 182 G HN 0.695 nan 8.290 nan 0.000 0.527 183 D N 0.637 120.940 120.400 -0.162 0.000 2.272 183 D HA 0.756 5.396 4.640 -0.000 0.000 0.247 183 D C 0.428 176.711 176.300 -0.029 0.000 0.990 183 D CA 0.642 54.608 54.000 -0.057 0.000 0.931 183 D CB 1.661 42.467 40.800 0.010 0.000 1.195 183 D HN 0.693 nan 8.370 nan 0.000 0.477 184 A N 0.697 123.516 122.820 -0.002 0.000 2.354 184 A HA 0.475 4.794 4.320 -0.000 0.000 0.321 184 A C -0.646 176.975 177.584 0.062 0.000 1.125 184 A CA -0.676 51.380 52.037 0.032 0.000 0.799 184 A CB 1.488 20.492 19.000 0.008 0.000 1.293 184 A HN 0.444 nan 8.150 nan 0.000 0.452 185 Q N 1.790 121.663 119.800 0.123 0.000 2.347 185 Q HA 0.552 4.892 4.340 -0.000 0.000 0.262 185 Q C -1.650 174.447 176.000 0.162 0.000 0.980 185 Q CA -0.357 55.532 55.803 0.144 0.000 0.867 185 Q CB 0.644 29.493 28.738 0.185 0.000 1.242 185 Q HN 0.704 nan 8.270 nan 0.000 0.453 186 L N 2.616 123.879 121.223 0.067 0.000 2.292 186 L HA 0.457 4.796 4.340 -0.000 0.000 0.284 186 L C -0.281 176.575 176.870 -0.023 0.000 1.065 186 L CA -0.479 54.362 54.840 0.002 0.000 0.806 186 L CB 1.647 43.685 42.059 -0.034 0.000 1.175 186 L HN 0.562 nan 8.230 nan 0.000 0.431 187 S N 1.938 117.570 115.700 -0.112 0.000 2.605 187 S HA 0.271 4.740 4.470 -0.000 0.000 0.308 187 S C -0.666 173.639 174.600 -0.491 0.000 1.113 187 S CA -0.677 57.332 58.200 -0.319 0.000 1.049 187 S CB 1.832 64.827 63.200 -0.342 0.000 1.001 187 S HN 0.582 nan 8.310 nan 0.000 0.480 188 E N 2.349 122.298 120.200 -0.417 0.000 2.227 188 E HA 0.339 4.688 4.350 -0.000 0.000 0.282 188 E C -1.604 174.750 176.600 -0.410 0.000 1.015 188 E CA -0.457 55.757 56.400 -0.311 0.000 0.823 188 E CB 0.576 30.203 29.700 -0.122 0.000 1.081 188 E HN 0.563 nan 8.360 nan 0.000 0.396 189 Y N 4.924 125.274 120.300 0.084 0.000 2.376 189 Y HA 0.277 4.827 4.550 -0.000 0.000 0.326 189 Y C -1.966 174.018 175.900 0.140 0.000 0.970 189 Y CA -2.554 55.614 58.100 0.114 0.000 1.248 189 Y CB 1.694 40.249 38.460 0.159 0.000 1.117 189 Y HN 0.573 nan 8.280 nan 0.000 0.476 190 P HA -0.080 nan 4.420 nan 0.000 0.226 190 P C -0.448 176.990 177.300 0.230 0.000 1.153 190 P CA 1.079 64.293 63.100 0.190 0.000 0.777 190 P CB 0.176 31.960 31.700 0.141 0.000 0.794 191 N N -1.929 116.967 118.700 0.328 0.000 2.725 191 N HA -0.197 4.542 4.740 -0.000 0.000 0.249 191 N C -0.439 175.229 175.510 0.264 0.000 1.103 191 N CA 0.322 53.586 53.050 0.357 0.000 0.707 191 N CB -1.617 37.050 38.487 0.299 0.000 1.043 191 N HN 0.181 nan 8.380 nan 0.000 0.553 192 D N 0.630 121.179 120.400 0.248 0.000 2.558 192 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 192 D C -0.744 175.693 176.300 0.228 0.000 1.143 192 D CA 0.380 54.487 54.000 0.179 0.000 1.010 192 D CB -0.027 40.843 40.800 0.118 0.000 1.068 192 D HN 0.346 nan 8.370 nan 0.000 0.511 193 H N 1.495 120.621 119.070 0.094 0.000 3.079 193 H HA 0.139 4.695 4.556 -0.000 0.000 0.356 193 H C -0.718 174.595 175.328 -0.025 0.000 1.221 193 H CA -0.596 55.495 56.048 0.072 0.000 1.185 193 H CB 1.596 31.501 29.762 0.239 0.000 1.882 193 H HN 0.353 nan 8.280 nan 0.000 0.543 194 Q N 2.220 121.896 119.800 -0.208 0.000 2.524 194 Q HA 0.460 4.800 4.340 -0.000 0.000 0.246 194 Q C -0.274 175.754 176.000 0.046 0.000 1.063 194 Q CA -0.277 55.474 55.803 -0.086 0.000 0.945 194 Q CB 0.703 29.332 28.738 -0.181 0.000 1.292 194 Q HN 0.550 nan 8.270 nan 0.000 0.518 195 A N 1.155 123.964 122.820 -0.018 0.000 2.540 195 A HA 0.383 4.702 4.320 -0.000 0.000 0.239 195 A C 0.183 177.729 177.584 -0.064 0.000 1.061 195 A CA 0.929 52.931 52.037 -0.059 0.000 0.758 195 A CB 0.342 19.316 19.000 -0.044 0.000 0.991 195 A HN 0.770 nan 8.150 nan 0.000 0.502 196 T N 0.167 114.617 114.554 -0.173 0.000 2.676 196 T HA 0.356 4.706 4.350 -0.000 0.000 0.308 196 T C -1.593 172.958 174.700 -0.249 0.000 1.740 196 T CA -0.468 61.529 62.100 -0.171 0.000 0.982 196 T CB 0.930 69.711 68.868 -0.145 0.000 1.724 196 T HN 0.934 nan 8.240 nan 0.000 0.497 197 Q N 1.827 121.558 119.800 -0.115 0.000 2.340 197 Q HA 0.451 4.791 4.340 -0.000 0.000 0.259 197 Q C -1.032 175.047 176.000 0.131 0.000 0.964 197 Q CA -0.688 55.109 55.803 -0.010 0.000 0.900 197 Q CB 0.570 29.340 28.738 0.054 0.000 1.228 197 Q HN 0.515 nan 8.270 nan 0.000 0.449 198 W N 3.791 125.194 121.300 0.171 0.000 2.353 198 W HA 0.533 5.192 4.660 -0.001 0.000 0.377 198 W C -0.157 176.558 176.519 0.328 0.000 1.375 198 W CA -0.899 56.549 57.345 0.171 0.000 1.503 198 W CB 0.691 30.135 29.460 -0.026 0.000 1.345 198 W HN 0.652 nan 8.180 nan 0.000 0.683 199 W N 1.738 123.185 121.300 0.245 0.000 3.296 199 W HA 0.491 5.151 4.660 -0.000 0.000 0.314 199 W C -2.222 174.366 176.519 0.115 0.000 1.238 199 W CA -2.006 55.431 57.345 0.154 0.000 1.193 199 W CB -0.252 29.237 29.460 0.049 0.000 1.383 199 W HN 0.544 nan 8.180 nan 0.000 0.545 200 Y N 0.929 121.234 120.300 0.008 0.000 2.429 200 Y HA 0.789 5.339 4.550 -0.000 0.000 0.342 200 Y C -0.707 175.077 175.900 -0.193 0.000 1.004 200 Y CA -1.144 56.741 58.100 -0.359 0.000 1.075 200 Y CB 1.572 39.805 38.460 -0.377 0.000 1.214 200 Y HN 0.676 nan 8.280 nan 0.000 0.455 201 H N -1.158 117.769 119.070 -0.239 0.000 3.014 201 H HA 0.392 4.948 4.556 -0.000 0.000 0.337 201 H C -1.781 173.560 175.328 0.022 0.000 1.320 201 H CA -1.312 54.713 56.048 -0.039 0.000 1.128 201 H CB 1.037 30.666 29.762 -0.221 0.000 1.862 201 H HN 0.756 nan 8.280 nan 0.000 0.536 202 D N -0.537 120.017 120.400 0.256 0.000 2.419 202 D HA 0.007 4.646 4.640 -0.000 0.000 0.236 202 D C 0.044 176.444 176.300 0.165 0.000 1.165 202 D CA 0.538 54.624 54.000 0.143 0.000 0.882 202 D CB 0.437 41.311 40.800 0.124 0.000 1.201 202 D HN 0.715 nan 8.370 nan 0.000 0.443 203 H N 1.461 120.486 119.070 -0.075 0.000 2.904 203 H HA 0.323 4.878 4.556 -0.000 0.000 0.242 203 H C -1.060 174.113 175.328 -0.259 0.000 1.193 203 H CA -0.314 55.652 56.048 -0.136 0.000 0.946 203 H CB 0.070 29.728 29.762 -0.173 0.000 2.135 203 H HN 0.430 nan 8.280 nan 0.000 0.652 204 A N 1.543 124.283 122.820 -0.135 0.000 2.488 204 A HA 0.233 4.553 4.320 -0.000 0.000 0.249 204 A C 0.719 178.189 177.584 -0.189 0.000 1.083 204 A CA -0.410 51.447 52.037 -0.301 0.000 0.768 204 A CB -0.015 18.750 19.000 -0.393 0.000 1.017 204 A HN 0.416 nan 8.150 nan 0.000 0.496 205 M N 3.456 122.937 119.600 -0.198 0.000 2.338 205 M HA 0.016 4.496 4.480 -0.000 0.000 0.360 205 M C 0.627 176.955 176.300 0.047 0.000 1.547 205 M CA 0.939 56.174 55.300 -0.109 0.000 1.001 205 M CB -1.141 31.442 32.600 -0.028 0.000 2.008 205 M HN 0.849 nan 8.290 nan 0.000 0.464 206 N N 2.670 121.323 118.700 -0.079 0.000 2.967 206 N HA -0.249 4.491 4.740 -0.000 0.000 0.212 206 N C 0.287 175.779 175.510 -0.030 0.000 0.884 206 N CA 1.816 54.840 53.050 -0.044 0.000 1.030 206 N CB -1.680 36.841 38.487 0.056 0.000 1.018 206 N HN 0.873 nan 8.380 nan 0.000 0.596 207 I N -4.506 116.072 120.570 0.014 0.000 4.219 207 I HA 0.318 4.488 4.170 -0.000 0.000 0.329 207 I C 1.095 177.211 176.117 -0.001 0.000 1.427 207 I CA -0.290 61.084 61.300 0.123 0.000 1.151 207 I CB 0.499 38.728 38.000 0.381 0.000 1.369 207 I HN -0.248 nan 8.210 nan 0.000 0.521 208 T N 2.150 116.610 114.554 -0.158 0.000 2.788 208 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 208 T C 2.018 176.567 174.700 -0.251 0.000 1.044 208 T CA 2.119 64.108 62.100 -0.184 0.000 1.139 208 T CB -0.344 68.338 68.868 -0.309 0.000 0.867 208 T HN 0.573 nan 8.240 nan 0.000 0.454 209 R N -0.003 120.221 120.500 -0.460 0.000 2.152 209 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 209 R C 1.815 177.781 176.300 -0.556 0.000 1.117 209 R CA 1.232 56.986 56.100 -0.577 0.000 0.981 209 R CB -0.426 29.390 30.300 -0.806 0.000 0.870 209 R HN 0.437 nan 8.270 nan 0.000 0.451 210 W N 1.140 122.330 121.300 -0.184 0.000 2.580 210 W HA 0.170 4.830 4.660 -0.001 0.000 0.287 210 W C 1.694 178.213 176.519 -0.000 0.000 1.175 210 W CA -0.241 57.039 57.345 -0.108 0.000 1.409 210 W CB -0.992 28.447 29.460 -0.036 0.000 1.101 210 W HN 0.111 nan 8.180 nan 0.000 0.558 211 N N 0.916 119.793 118.700 0.295 0.000 2.094 211 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 211 N C 1.761 177.335 175.510 0.106 0.000 1.023 211 N CA 1.761 54.944 53.050 0.222 0.000 0.857 211 N CB -0.913 37.720 38.487 0.244 0.000 1.013 211 N HN -0.112 nan 8.380 nan 0.000 0.426 212 V N 1.216 121.163 119.914 0.056 0.000 2.323 212 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 212 V C 2.343 178.453 176.094 0.026 0.000 1.041 212 V CA 1.347 63.685 62.300 0.065 0.000 1.025 212 V CB -0.470 31.343 31.823 -0.016 0.000 0.656 212 V HN 0.308 nan 8.190 nan 0.000 0.451 213 M N 0.591 120.154 119.600 -0.061 0.000 2.149 213 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 213 M C 2.070 178.320 176.300 -0.082 0.000 1.064 213 M CA 2.168 57.406 55.300 -0.103 0.000 1.102 213 M CB -0.341 32.169 32.600 -0.150 0.000 1.369 213 M HN 0.320 nan 8.290 nan 0.000 0.408 214 A N -0.430 122.317 122.820 -0.123 0.000 2.084 214 A HA 0.029 4.349 4.320 -0.000 0.000 0.221 214 A C 1.834 179.345 177.584 -0.122 0.000 1.161 214 A CA 1.618 53.487 52.037 -0.281 0.000 0.653 214 A CB -1.012 17.677 19.000 -0.518 0.000 0.802 214 A HN 0.904 nan 8.150 nan 0.000 0.457 215 G N -2.587 106.254 108.800 0.069 0.000 2.273 215 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.162 215 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.162 215 G C 0.103 175.080 174.900 0.129 0.000 1.006 215 G CA -0.088 45.108 45.100 0.159 0.000 0.704 215 G HN 0.376 nan 8.290 nan 0.000 0.487 216 L N 2.041 123.350 121.223 0.144 0.000 2.399 216 L HA 0.548 4.888 4.340 -0.000 0.000 0.257 216 L C 0.199 177.318 176.870 0.415 0.000 1.236 216 L CA -0.682 54.137 54.840 -0.034 0.000 1.144 216 L CB -0.792 41.180 42.059 -0.144 0.000 1.379 216 L HN 0.436 nan 8.230 nan 0.000 0.414 217 Y N -0.609 119.847 120.300 0.261 0.000 2.558 217 Y HA 0.883 5.433 4.550 -0.000 0.000 0.333 217 Y C -0.237 175.664 175.900 0.002 0.000 1.125 217 Y CA -1.047 57.183 58.100 0.218 0.000 1.039 217 Y CB 1.516 40.162 38.460 0.310 0.000 1.331 217 Y HN 0.155 nan 8.280 nan 0.000 0.456 218 G N 0.257 108.813 108.800 -0.407 0.000 2.600 218 G HA2 0.504 4.463 3.960 -0.000 0.000 0.293 218 G HA3 0.504 4.463 3.960 -0.000 0.000 0.293 218 G C -1.879 172.844 174.900 -0.296 0.000 1.408 218 G CA -0.512 44.250 45.100 -0.563 0.000 0.782 218 G HN 0.789 nan 8.290 nan 0.000 0.482 219 T N -1.685 112.929 114.554 0.100 0.000 2.910 219 T HA 0.715 5.065 4.350 -0.000 0.000 0.287 219 T C -2.022 172.984 174.700 0.510 0.000 1.050 219 T CA -0.511 61.786 62.100 0.329 0.000 1.011 219 T CB 1.545 70.555 68.868 0.236 0.000 1.195 219 T HN 0.935 nan 8.240 nan 0.000 0.540 220 Y N 1.854 122.331 120.300 0.294 0.000 2.287 220 Y HA 0.525 5.075 4.550 -0.000 0.000 0.321 220 Y C -1.956 173.994 175.900 0.083 0.000 1.173 220 Y CA -0.883 57.356 58.100 0.231 0.000 1.124 220 Y CB 0.746 39.394 38.460 0.314 0.000 1.201 220 Y HN 0.545 nan 8.280 nan 0.000 0.421 221 L N 6.843 128.056 121.223 -0.017 0.000 2.307 221 L HA 0.715 5.054 4.340 -0.000 0.000 0.284 221 L C -0.719 176.037 176.870 -0.191 0.000 1.023 221 L CA -1.349 53.444 54.840 -0.079 0.000 0.810 221 L CB 1.665 43.689 42.059 -0.059 0.000 1.231 221 L HN 0.337 nan 8.230 nan 0.000 0.423 222 V N 3.627 123.398 119.914 -0.238 0.000 2.427 222 V HA 0.491 4.610 4.120 -0.000 0.000 0.286 222 V C 0.090 176.094 176.094 -0.150 0.000 1.034 222 V CA -0.811 61.350 62.300 -0.231 0.000 0.893 222 V CB 1.468 33.066 31.823 -0.376 0.000 0.982 222 V HN 0.632 nan 8.190 nan 0.000 0.452 223 R N 3.425 123.863 120.500 -0.104 0.000 2.540 223 R HA 0.686 5.026 4.340 -0.000 0.000 0.287 223 R C -0.739 175.532 176.300 -0.048 0.000 0.980 223 R CA -0.724 55.335 56.100 -0.068 0.000 0.966 223 R CB 1.756 32.021 30.300 -0.058 0.000 1.106 223 R HN 0.997 nan 8.270 nan 0.000 0.480 224 D N -1.429 118.950 120.400 -0.035 0.000 2.752 224 D HA 0.214 4.854 4.640 -0.000 0.000 0.313 224 D C -0.251 176.039 176.300 -0.017 0.000 1.225 224 D CA -0.567 53.419 54.000 -0.023 0.000 0.976 224 D CB 0.472 41.260 40.800 -0.021 0.000 1.443 224 D HN 0.126 nan 8.370 nan 0.000 0.515 225 D N -0.414 119.979 120.400 -0.013 0.000 2.162 225 D HA -0.099 4.541 4.640 -0.000 0.000 0.203 225 D C 1.459 177.755 176.300 -0.008 0.000 0.967 225 D CA 0.967 54.961 54.000 -0.010 0.000 0.840 225 D CB 0.073 40.868 40.800 -0.008 0.000 0.972 225 D HN 0.684 nan 8.370 nan 0.000 0.482 226 E N 1.165 121.362 120.200 -0.006 0.000 2.033 226 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 226 E C 1.965 178.565 176.600 0.000 0.000 1.011 226 E CA 1.319 57.719 56.400 -0.000 0.000 0.815 226 E CB 0.030 29.734 29.700 0.007 0.000 0.755 226 E HN 0.246 nan 8.360 nan 0.000 0.451 227 E N 0.029 120.227 120.200 -0.002 0.000 2.085 227 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 227 E C 1.682 178.280 176.600 -0.003 0.000 0.994 227 E CA 1.682 58.081 56.400 -0.001 0.000 0.801 227 E CB -0.068 29.627 29.700 -0.008 0.000 0.743 227 E HN 0.287 nan 8.360 nan 0.000 0.453 228 D N 0.168 120.563 120.400 -0.009 0.000 2.149 228 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 228 D C 1.650 177.947 176.300 -0.005 0.000 0.990 228 D CA 1.360 55.355 54.000 -0.009 0.000 0.839 228 D CB -0.305 40.488 40.800 -0.013 0.000 0.948 228 D HN 0.319 nan 8.370 nan 0.000 0.460 229 A N -0.055 122.761 122.820 -0.006 0.000 2.209 229 A HA 0.003 4.323 4.320 -0.000 0.000 0.212 229 A C 2.077 179.654 177.584 -0.011 0.000 1.158 229 A CA 0.326 52.357 52.037 -0.010 0.000 0.742 229 A CB -0.484 18.509 19.000 -0.012 0.000 0.790 229 A HN 0.223 nan 8.150 nan 0.000 0.472 230 L N -1.001 120.223 121.223 0.001 0.000 2.492 230 L HA 0.107 4.447 4.340 -0.000 0.000 0.223 230 L C 1.678 178.585 176.870 0.062 0.000 1.132 230 L CA 0.429 55.276 54.840 0.012 0.000 0.850 230 L CB -0.347 41.730 42.059 0.029 0.000 0.966 230 L HN 0.523 nan 8.230 nan 0.000 0.454 231 G N 1.614 110.442 108.800 0.047 0.000 2.421 231 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.300 231 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.300 231 G C 0.302 175.271 174.900 0.116 0.000 0.974 231 G CA 0.015 45.157 45.100 0.069 0.000 1.062 231 G HN 0.274 nan 8.290 nan 0.000 0.514 232 L N -0.193 121.055 121.223 0.042 0.000 2.499 232 L HA 0.185 4.525 4.340 -0.000 0.000 0.281 232 L C -1.146 175.587 176.870 -0.228 0.000 1.234 232 L CA -1.589 53.174 54.840 -0.128 0.000 0.839 232 L CB -0.069 41.940 42.059 -0.082 0.000 1.104 232 L HN 0.028 nan 8.230 nan 0.000 0.500 233 P HA -0.015 nan 4.420 nan 0.000 0.264 233 P C -0.659 176.545 177.300 -0.160 0.000 1.179 233 P CA 0.267 63.198 63.100 -0.282 0.000 0.763 233 P CB 0.624 32.148 31.700 -0.294 0.000 0.806 234 S N 0.629 116.251 115.700 -0.130 0.000 2.776 234 S HA 0.763 5.232 4.470 -0.000 0.000 0.292 234 S C 0.580 175.140 174.600 -0.066 0.000 1.187 234 S CA -0.135 58.018 58.200 -0.078 0.000 0.834 234 S CB 1.166 64.330 63.200 -0.060 0.000 1.199 234 S HN 0.774 nan 8.310 nan 0.000 0.514 235 G N 1.589 110.367 108.800 -0.037 0.000 2.660 235 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.321 235 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.321 235 G C 0.464 175.359 174.900 -0.008 0.000 1.246 235 G CA 1.194 46.282 45.100 -0.021 0.000 1.000 235 G HN 0.876 nan 8.290 nan 0.000 0.550 236 D N 0.720 121.115 120.400 -0.008 0.000 2.191 236 D HA -0.111 4.528 4.640 -0.000 0.000 0.195 236 D C 2.487 178.798 176.300 0.019 0.000 1.003 236 D CA 1.534 55.545 54.000 0.019 0.000 0.867 236 D CB -0.077 40.727 40.800 0.006 0.000 0.926 236 D HN 0.432 nan 8.370 nan 0.000 0.450 237 R N 0.374 120.800 120.500 -0.122 0.000 2.334 237 R HA 0.160 4.500 4.340 -0.000 0.000 0.220 237 R C 0.285 176.547 176.300 -0.064 0.000 0.917 237 R CA -0.020 55.873 56.100 -0.345 0.000 1.073 237 R CB 0.280 30.240 30.300 -0.566 0.000 1.056 237 R HN 0.286 nan 8.270 nan 0.000 0.506 238 E N 1.397 121.613 120.200 0.027 0.000 2.155 238 E HA 0.363 4.713 4.350 -0.000 0.000 0.264 238 E C -1.020 175.648 176.600 0.114 0.000 0.886 238 E CA -0.370 56.070 56.400 0.068 0.000 0.752 238 E CB 0.982 30.693 29.700 0.019 0.000 1.133 238 E HN 0.034 nan 8.360 nan 0.000 0.414 239 I N 6.261 126.925 120.570 0.156 0.000 2.439 239 I HA 0.326 4.496 4.170 -0.000 0.000 0.283 239 I C -2.347 173.845 176.117 0.125 0.000 1.023 239 I CA -2.570 58.823 61.300 0.155 0.000 1.100 239 I CB 1.720 39.853 38.000 0.221 0.000 1.238 239 I HN 0.334 nan 8.210 nan 0.000 0.445 240 P HA 0.259 nan 4.420 nan 0.000 0.271 240 P C -0.945 176.402 177.300 0.080 0.000 1.216 240 P CA -0.056 63.094 63.100 0.084 0.000 0.776 240 P CB 0.658 32.403 31.700 0.076 0.000 0.881 241 L N 3.613 124.878 121.223 0.069 0.000 2.415 241 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 241 L C -0.743 176.139 176.870 0.019 0.000 0.984 241 L CA -0.648 54.221 54.840 0.050 0.000 0.853 241 L CB 1.157 43.252 42.059 0.061 0.000 1.215 241 L HN 0.165 nan 8.230 nan 0.000 0.419 242 L N 5.410 126.655 121.223 0.036 0.000 2.264 242 L HA 0.511 4.851 4.340 -0.000 0.000 0.287 242 L C 0.117 177.000 176.870 0.021 0.000 1.039 242 L CA -0.094 54.770 54.840 0.041 0.000 0.829 242 L CB 1.077 43.248 42.059 0.186 0.000 1.211 242 L HN 0.452 nan 8.230 nan 0.000 0.427 243 I N 0.645 121.156 120.570 -0.098 0.000 2.525 243 I HA 1.011 5.181 4.170 -0.000 0.000 0.301 243 I C -0.382 175.646 176.117 -0.148 0.000 0.992 243 I CA -0.625 60.587 61.300 -0.147 0.000 1.162 243 I CB 2.029 39.835 38.000 -0.323 0.000 1.332 243 I HN 0.615 nan 8.210 nan 0.000 0.458 244 A N 4.351 127.134 122.820 -0.062 0.000 2.532 244 A HA 0.466 4.786 4.320 -0.000 0.000 0.296 244 A C -1.287 176.381 177.584 0.140 0.000 1.058 244 A CA -0.733 51.300 52.037 -0.007 0.000 0.729 244 A CB 1.189 20.069 19.000 -0.199 0.000 1.285 244 A HN 0.882 nan 8.150 nan 0.000 0.396 245 D N 1.827 122.396 120.400 0.282 0.000 2.313 245 D HA 0.611 5.251 4.640 -0.000 0.000 0.247 245 D C -0.237 176.271 176.300 0.347 0.000 1.094 245 D CA -0.185 54.011 54.000 0.326 0.000 0.925 245 D CB 0.829 41.814 40.800 0.307 0.000 1.188 245 D HN 0.351 nan 8.370 nan 0.000 0.430 246 R N 1.066 121.779 120.500 0.356 0.000 2.740 246 R HA 0.476 4.815 4.340 -0.000 0.000 0.273 246 R C -0.699 175.910 176.300 0.516 0.000 0.998 246 R CA -0.855 55.476 56.100 0.384 0.000 0.900 246 R CB 1.410 31.821 30.300 0.184 0.000 1.223 246 R HN 0.551 nan 8.270 nan 0.000 0.466 247 N N 0.757 119.794 118.700 0.563 0.000 2.402 247 N HA 0.636 5.376 4.740 -0.000 0.000 0.294 247 N C -1.115 174.570 175.510 0.293 0.000 1.203 247 N CA -0.534 52.791 53.050 0.459 0.000 0.838 247 N CB 1.424 40.158 38.487 0.411 0.000 1.306 247 N HN 0.402 nan 8.380 nan 0.000 0.510 248 L N 0.247 121.628 121.223 0.263 0.000 2.371 248 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 248 L C -0.288 176.645 176.870 0.104 0.000 1.006 248 L CA -0.990 53.912 54.840 0.102 0.000 0.818 248 L CB 2.004 44.029 42.059 -0.055 0.000 1.354 248 L HN 0.402 nan 8.230 nan 0.000 0.415 249 D N 0.527 120.961 120.400 0.057 0.000 2.329 249 D HA 0.421 5.061 4.640 -0.000 0.000 0.246 249 D C -0.495 175.829 176.300 0.040 0.000 1.111 249 D CA 0.138 54.170 54.000 0.054 0.000 0.941 249 D CB 1.720 42.543 40.800 0.039 0.000 1.169 249 D HN 0.628 nan 8.370 nan 0.000 0.441 250 T N -1.078 113.502 114.554 0.043 0.000 2.930 250 T HA 0.476 4.826 4.350 -0.000 0.000 0.290 250 T C -0.258 174.459 174.700 0.028 0.000 1.052 250 T CA -1.007 61.114 62.100 0.034 0.000 1.017 250 T CB 1.632 70.527 68.868 0.044 0.000 1.137 250 T HN 0.063 nan 8.240 nan 0.000 0.511 251 D N 0.632 121.045 120.400 0.022 0.000 2.383 251 D HA 0.154 4.793 4.640 -0.000 0.000 0.248 251 D C 1.627 177.939 176.300 0.020 0.000 1.170 251 D CA -0.570 53.441 54.000 0.019 0.000 0.977 251 D CB 0.949 41.758 40.800 0.014 0.000 1.120 251 D HN 0.904 nan 8.370 nan 0.000 0.481 252 E N 0.392 120.602 120.200 0.017 0.000 2.219 252 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 252 E C 0.473 177.083 176.600 0.017 0.000 0.998 252 E CA 1.322 57.732 56.400 0.017 0.000 0.818 252 E CB -0.106 29.602 29.700 0.014 0.000 0.741 252 E HN 0.383 nan 8.360 nan 0.000 0.477 253 D N -0.373 120.036 120.400 0.016 0.000 2.328 253 D HA 0.075 4.715 4.640 -0.000 0.000 0.226 253 D C 1.313 177.624 176.300 0.019 0.000 1.066 253 D CA 0.599 54.609 54.000 0.016 0.000 0.861 253 D CB 0.344 41.152 40.800 0.013 0.000 0.912 253 D HN 0.411 nan 8.370 nan 0.000 0.521 254 G N 0.180 108.994 108.800 0.023 0.000 2.175 254 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 254 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 254 G C 0.297 175.215 174.900 0.031 0.000 0.982 254 G CA -0.312 44.806 45.100 0.030 0.000 0.641 254 G HN 0.339 nan 8.290 nan 0.000 0.527 255 R N 0.218 120.731 120.500 0.021 0.000 2.537 255 R HA 0.337 4.677 4.340 -0.000 0.000 0.280 255 R C 1.055 177.361 176.300 0.010 0.000 1.058 255 R CA -0.357 55.752 56.100 0.014 0.000 1.057 255 R CB 0.294 30.599 30.300 0.007 0.000 0.973 255 R HN 0.370 nan 8.270 nan 0.000 0.438 256 L N 3.863 125.083 121.223 -0.004 0.000 2.499 256 L HA -0.070 4.269 4.340 -0.000 0.000 0.273 256 L C 1.301 178.152 176.870 -0.031 0.000 1.195 256 L CA 0.248 55.070 54.840 -0.030 0.000 0.882 256 L CB 0.133 42.135 42.059 -0.094 0.000 1.133 256 L HN 0.678 nan 8.230 nan 0.000 0.483 257 N N 1.041 119.730 118.700 -0.020 0.000 2.200 257 N HA 0.133 4.872 4.740 -0.000 0.000 0.224 257 N C 0.915 176.425 175.510 0.001 0.000 1.179 257 N CA 0.233 53.281 53.050 -0.004 0.000 0.877 257 N CB 1.056 39.551 38.487 0.013 0.000 1.072 257 N HN 0.743 nan 8.380 nan 0.000 0.519 258 G N 0.505 109.285 108.800 -0.033 0.000 2.189 258 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.267 258 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.267 258 G C -0.142 174.748 174.900 -0.017 0.000 0.975 258 G CA 0.116 45.197 45.100 -0.031 0.000 0.644 258 G HN 0.458 nan 8.290 nan 0.000 0.537 259 R N 0.229 120.725 120.500 -0.005 0.000 2.316 259 R HA 0.412 4.751 4.340 -0.000 0.000 0.314 259 R C 0.777 177.063 176.300 -0.024 0.000 1.069 259 R CA -0.564 55.527 56.100 -0.015 0.000 0.959 259 R CB 0.649 30.950 30.300 0.002 0.000 0.987 259 R HN 0.302 nan 8.270 nan 0.000 0.446 260 L N 4.280 125.469 121.223 -0.058 0.000 2.628 260 L HA -0.054 4.286 4.340 -0.000 0.000 0.274 260 L C 0.002 176.873 176.870 0.003 0.000 1.209 260 L CA 0.241 55.055 54.840 -0.044 0.000 0.930 260 L CB -0.071 41.924 42.059 -0.106 0.000 1.183 260 L HN 0.350 nan 8.230 nan 0.000 0.492 261 L N 4.773 126.036 121.223 0.067 0.000 2.343 261 L HA 0.302 4.641 4.340 -0.000 0.000 0.278 261 L C -0.151 176.836 176.870 0.194 0.000 0.996 261 L CA -0.157 54.759 54.840 0.127 0.000 0.831 261 L CB 1.072 43.216 42.059 0.142 0.000 1.232 261 L HN 0.431 nan 8.230 nan 0.000 0.413 262 H N 5.833 124.957 119.070 0.090 0.000 2.820 262 H HA 0.247 4.803 4.556 -0.000 0.000 0.278 262 H C -1.076 174.434 175.328 0.303 0.000 1.142 262 H CA -0.204 55.912 56.048 0.113 0.000 1.346 262 H CB 0.621 30.492 29.762 0.181 0.000 1.438 262 H HN 0.611 nan 8.280 nan 0.000 0.473 263 K N 4.970 125.537 120.400 0.278 0.000 2.425 263 K HA 0.214 4.534 4.320 -0.000 0.000 0.259 263 K C -0.749 175.902 176.600 0.085 0.000 0.978 263 K CA -0.590 55.809 56.287 0.186 0.000 0.883 263 K CB 0.856 33.455 32.500 0.165 0.000 1.110 263 K HN 0.674 nan 8.250 nan 0.000 0.436 264 T N -0.798 113.809 114.554 0.088 0.000 2.949 264 T HA 0.520 4.870 4.350 -0.000 0.000 0.287 264 T C -0.291 174.454 174.700 0.074 0.000 1.034 264 T CA -0.783 61.355 62.100 0.062 0.000 1.018 264 T CB 1.651 70.579 68.868 0.100 0.000 1.135 264 T HN 0.140 nan 8.240 nan 0.000 0.532 265 V N 1.994 121.949 119.914 0.068 0.000 2.417 265 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 265 V C 0.172 176.307 176.094 0.068 0.000 1.024 265 V CA -1.011 61.323 62.300 0.057 0.000 0.861 265 V CB 1.229 33.073 31.823 0.034 0.000 0.985 265 V HN 0.828 nan 8.190 nan 0.000 0.436 266 I N 5.251 125.858 120.570 0.062 0.000 2.452 266 I HA 0.088 4.258 4.170 -0.000 0.000 0.287 266 I C 1.109 177.253 176.117 0.045 0.000 1.079 266 I CA 0.110 61.447 61.300 0.061 0.000 1.387 266 I CB 1.222 39.255 38.000 0.055 0.000 1.404 266 I HN 0.630 nan 8.210 nan 0.000 0.522 267 V N 2.036 121.977 119.914 0.046 0.000 3.661 267 V HA 0.221 4.341 4.120 -0.000 0.000 0.271 267 V C 0.392 176.499 176.094 0.022 0.000 1.315 267 V CA 0.107 62.426 62.300 0.031 0.000 1.072 267 V CB -0.191 31.653 31.823 0.036 0.000 0.830 267 V HN 0.870 nan 8.190 nan 0.000 0.443 268 Q N 0.407 120.220 119.800 0.022 0.000 2.275 268 Q HA 0.328 4.667 4.340 -0.000 0.000 0.258 268 Q C 0.264 176.274 176.000 0.017 0.000 0.960 268 Q CA -0.384 55.426 55.803 0.012 0.000 0.801 268 Q CB 2.199 30.935 28.738 -0.003 0.000 1.302 268 Q HN 0.206 nan 8.270 nan 0.000 0.433 269 Q N 1.554 121.364 119.800 0.017 0.000 2.187 269 Q HA 0.154 4.494 4.340 -0.000 0.000 0.199 269 Q C -0.436 175.578 176.000 0.023 0.000 0.957 269 Q CA 1.037 56.853 55.803 0.023 0.000 0.857 269 Q CB 0.583 29.333 28.738 0.020 0.000 0.929 269 Q HN 0.350 nan 8.270 nan 0.000 0.453 270 S N 0.052 115.762 115.700 0.016 0.000 2.706 270 S HA 0.354 4.824 4.470 -0.000 0.000 0.270 270 S C -1.574 173.031 174.600 0.009 0.000 1.163 270 S CA -0.882 57.328 58.200 0.016 0.000 1.042 270 S CB 0.233 63.443 63.200 0.017 0.000 1.079 270 S HN 0.420 nan 8.310 nan 0.000 0.474 271 N N 5.115 123.818 118.700 0.005 0.000 2.470 271 N HA 0.348 5.088 4.740 -0.000 0.000 0.268 271 N C -1.593 173.921 175.510 0.007 0.000 1.136 271 N CA -1.541 51.506 53.050 -0.005 0.000 0.961 271 N CB 1.109 39.581 38.487 -0.026 0.000 1.067 271 N HN 0.239 nan 8.380 nan 0.000 0.468 272 P HA -0.208 nan 4.420 nan 0.000 0.218 272 P C 0.142 177.452 177.300 0.018 0.000 1.154 272 P CA 1.635 64.742 63.100 0.012 0.000 0.872 272 P CB 0.159 31.866 31.700 0.012 0.000 0.790 273 E N -1.236 118.977 120.200 0.021 0.000 2.358 273 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 273 E C 0.824 177.445 176.600 0.034 0.000 1.010 273 E CA 0.885 57.303 56.400 0.029 0.000 0.856 273 E CB -0.163 29.560 29.700 0.039 0.000 0.795 273 E HN 0.407 nan 8.360 nan 0.000 0.504 274 T N -4.923 109.650 114.554 0.032 0.000 2.838 274 T HA 0.426 4.775 4.350 -0.000 0.000 0.292 274 T C 1.180 175.901 174.700 0.035 0.000 1.113 274 T CA -0.390 61.735 62.100 0.040 0.000 1.008 274 T CB 1.380 70.283 68.868 0.057 0.000 1.259 274 T HN -0.086 nan 8.240 nan 0.000 0.520 275 G N 0.522 109.345 108.800 0.039 0.000 2.462 275 G HA2 0.015 3.975 3.960 -0.000 0.000 0.220 275 G HA3 0.015 3.975 3.960 -0.000 0.000 0.220 275 G C 0.467 175.389 174.900 0.036 0.000 1.121 275 G CA 0.552 45.672 45.100 0.035 0.000 0.758 275 G HN 0.684 nan 8.290 nan 0.000 0.559 276 K N 0.958 121.384 120.400 0.044 0.000 2.123 276 K HA 0.368 4.687 4.320 -0.000 0.000 0.259 276 K C -2.638 173.991 176.600 0.049 0.000 0.960 276 K CA -2.489 53.832 56.287 0.057 0.000 0.872 276 K CB 1.722 34.274 32.500 0.086 0.000 1.079 276 K HN -0.048 nan 8.250 nan 0.000 0.440 277 P HA 0.117 nan 4.420 nan 0.000 0.272 277 P C -0.497 176.846 177.300 0.071 0.000 1.230 277 P CA -0.377 62.757 63.100 0.056 0.000 0.788 277 P CB 0.613 32.352 31.700 0.065 0.000 0.949 278 V N 1.710 121.655 119.914 0.051 0.000 2.531 278 V HA 0.408 4.528 4.120 -0.000 0.000 0.301 278 V C 0.233 176.381 176.094 0.091 0.000 1.034 278 V CA -0.298 62.032 62.300 0.049 0.000 0.865 278 V CB 1.642 33.421 31.823 -0.074 0.000 0.995 278 V HN 0.793 nan 8.190 nan 0.000 0.424 279 S N 4.936 120.726 115.700 0.151 0.000 2.600 279 S HA 0.826 5.296 4.470 -0.000 0.000 0.300 279 S C -0.305 174.396 174.600 0.168 0.000 1.087 279 S CA -0.858 57.428 58.200 0.143 0.000 0.965 279 S CB 2.047 65.337 63.200 0.150 0.000 1.089 279 S HN 0.789 nan 8.310 nan 0.000 0.496 280 I N -1.600 119.058 120.570 0.146 0.000 3.211 280 I HA 0.553 4.723 4.170 -0.000 0.000 0.297 280 I C -2.711 173.472 176.117 0.109 0.000 1.095 280 I CA -2.324 59.077 61.300 0.168 0.000 1.239 280 I CB -0.392 37.715 38.000 0.180 0.000 1.455 280 I HN 0.317 nan 8.210 nan 0.000 0.630 281 P HA 0.128 nan 4.420 nan 0.000 0.277 281 P C -1.018 176.067 177.300 -0.358 0.000 1.276 281 P CA -0.187 62.785 63.100 -0.214 0.000 0.788 281 P CB 0.255 31.689 31.700 -0.444 0.000 1.114 282 F N 1.289 120.877 119.950 -0.604 0.000 2.467 282 F HA 0.408 4.935 4.527 -0.000 0.000 0.362 282 F C -0.918 174.307 175.800 -0.957 0.000 1.090 282 F CA 0.355 57.973 58.000 -0.637 0.000 1.202 282 F CB -0.302 38.360 39.000 -0.563 0.000 1.113 282 F HN 0.045 nan 8.300 nan 0.000 0.541 283 F N 3.955 123.252 119.950 -1.088 0.000 2.556 283 F HA 0.702 5.229 4.527 -0.000 0.000 0.314 283 F C 0.330 175.346 175.800 -1.307 0.000 1.106 283 F CA -0.844 56.575 58.000 -0.968 0.000 0.911 283 F CB 1.871 40.581 39.000 -0.483 0.000 1.190 283 F HN 0.639 nan 8.300 nan 0.000 0.448 284 G N 1.309 109.643 108.800 -0.776 0.000 2.733 284 G HA2 0.614 4.573 3.960 -0.000 0.000 0.288 284 G HA3 0.614 4.573 3.960 -0.000 0.000 0.288 284 G C -2.754 172.071 174.900 -0.125 0.000 1.373 284 G CA -1.668 43.221 45.100 -0.352 0.000 0.895 284 G HN 0.283 nan 8.290 nan 0.000 0.479 285 P HA 0.117 nan 4.420 nan 0.000 0.230 285 P C -0.513 176.706 177.300 -0.136 0.000 1.168 285 P CA 0.555 63.504 63.100 -0.252 0.000 0.793 285 P CB 0.149 31.544 31.700 -0.507 0.000 0.851 286 Y N -0.741 119.685 120.300 0.210 0.000 2.330 286 Y HA 0.427 4.977 4.550 -0.000 0.000 0.336 286 Y C 0.770 176.706 175.900 0.061 0.000 1.036 286 Y CA -0.719 57.391 58.100 0.016 0.000 1.125 286 Y CB 0.843 39.120 38.460 -0.305 0.000 1.194 286 Y HN -0.391 nan 8.280 nan 0.000 0.469 287 T N 2.556 117.247 114.554 0.227 0.000 2.749 287 T HA 0.300 4.650 4.350 -0.000 0.000 0.287 287 T C -0.017 174.712 174.700 0.048 0.000 0.970 287 T CA -0.865 61.399 62.100 0.274 0.000 0.980 287 T CB 0.350 69.515 68.868 0.494 0.000 0.924 287 T HN 0.709 nan 8.240 nan 0.000 0.456 288 T N 0.506 115.091 114.554 0.052 0.000 2.837 288 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 288 T C -0.323 174.394 174.700 0.029 0.000 0.984 288 T CA -0.718 61.392 62.100 0.016 0.000 1.049 288 T CB 0.891 69.781 68.868 0.037 0.000 0.947 288 T HN 0.259 nan 8.240 nan 0.000 0.472 289 V N 3.877 123.809 119.914 0.029 0.000 2.407 289 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 289 V C -0.221 175.890 176.094 0.029 0.000 1.018 289 V CA -1.166 61.147 62.300 0.021 0.000 0.842 289 V CB 0.820 32.648 31.823 0.008 0.000 0.996 289 V HN 1.042 nan 8.190 nan 0.000 0.426 290 N N 3.718 122.451 118.700 0.055 0.000 2.714 290 N HA -0.206 4.534 4.740 -0.000 0.000 0.252 290 N C 1.200 176.730 175.510 0.033 0.000 1.014 290 N CA 1.556 54.632 53.050 0.045 0.000 0.735 290 N CB -1.118 37.380 38.487 0.018 0.000 0.924 290 N HN 1.610 nan 8.380 nan 0.000 0.540 291 G N -1.175 107.671 108.800 0.076 0.000 2.168 291 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 291 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 291 G C 0.072 174.978 174.900 0.010 0.000 0.997 291 G CA 0.793 45.925 45.100 0.055 0.000 0.708 291 G HN 0.647 nan 8.290 nan 0.000 0.520 292 R N -0.935 119.563 120.500 -0.004 0.000 2.686 292 R HA 0.582 4.922 4.340 -0.000 0.000 0.286 292 R C 0.199 176.470 176.300 -0.048 0.000 0.969 292 R CA -1.089 54.990 56.100 -0.034 0.000 0.898 292 R CB 1.534 31.805 30.300 -0.049 0.000 1.183 292 R HN 0.195 nan 8.270 nan 0.000 0.456 293 I N 3.431 123.938 120.570 -0.105 0.000 2.517 293 I HA -0.040 4.130 4.170 -0.000 0.000 0.285 293 I C -0.052 176.018 176.117 -0.078 0.000 1.106 293 I CA 0.263 61.393 61.300 -0.283 0.000 1.402 293 I CB 0.269 37.955 38.000 -0.523 0.000 1.399 293 I HN 0.621 nan 8.210 nan 0.000 0.535 294 W N 5.427 126.783 121.300 0.093 0.000 6.562 294 W HA -0.152 4.507 4.660 -0.000 0.000 0.418 294 W C -2.370 174.262 176.519 0.188 0.000 1.645 294 W CA -0.903 56.500 57.345 0.097 0.000 1.086 294 W CB -2.411 26.961 29.460 -0.147 0.000 2.865 294 W HN 0.309 nan 8.180 nan 0.000 1.517 295 P HA 0.369 nan 4.420 nan 0.000 0.279 295 P C -0.414 177.011 177.300 0.208 0.000 1.276 295 P CA -0.069 63.116 63.100 0.142 0.000 0.801 295 P CB 0.876 32.541 31.700 -0.058 0.000 1.127 296 Y N -2.062 118.275 120.300 0.061 0.000 2.487 296 Y HA 0.794 5.343 4.550 -0.000 0.000 0.337 296 Y C -0.844 174.957 175.900 -0.165 0.000 1.076 296 Y CA -1.813 56.217 58.100 -0.117 0.000 1.115 296 Y CB 0.923 39.329 38.460 -0.090 0.000 1.235 296 Y HN 0.472 nan 8.280 nan 0.000 0.468 297 A N 2.729 125.469 122.820 -0.134 0.000 2.291 297 A HA 0.415 4.735 4.320 -0.000 0.000 0.311 297 A C -1.230 176.356 177.584 0.002 0.000 1.224 297 A CA -0.841 51.126 52.037 -0.117 0.000 0.821 297 A CB 0.162 19.036 19.000 -0.210 0.000 1.172 297 A HN 0.772 nan 8.150 nan 0.000 0.494 298 D N 2.112 122.556 120.400 0.073 0.000 2.358 298 D HA 0.362 5.001 4.640 -0.000 0.000 0.258 298 D C 0.323 176.602 176.300 -0.035 0.000 1.223 298 D CA 0.662 54.682 54.000 0.032 0.000 0.886 298 D CB 1.122 41.970 40.800 0.080 0.000 1.120 298 D HN 0.523 nan 8.370 nan 0.000 0.482 299 V N -0.120 119.705 119.914 -0.148 0.000 3.001 299 V HA 0.577 4.697 4.120 -0.000 0.000 0.314 299 V C -0.231 175.794 176.094 -0.116 0.000 1.099 299 V CA -1.050 61.109 62.300 -0.235 0.000 0.989 299 V CB 2.576 33.910 31.823 -0.816 0.000 1.040 299 V HN 0.111 nan 8.190 nan 0.000 0.434 300 D N 1.770 122.253 120.400 0.138 0.000 2.348 300 D HA 0.277 4.916 4.640 -0.000 0.000 0.249 300 D C -0.233 176.173 176.300 0.176 0.000 1.110 300 D CA 0.044 54.139 54.000 0.158 0.000 0.967 300 D CB 1.165 42.098 40.800 0.222 0.000 1.139 300 D HN 0.935 nan 8.370 nan 0.000 0.466 301 D N -0.177 120.298 120.400 0.125 0.000 2.885 301 D HA 0.247 4.887 4.640 -0.000 0.000 0.234 301 D C 0.461 176.872 176.300 0.185 0.000 1.129 301 D CA -0.514 53.573 54.000 0.145 0.000 0.991 301 D CB -0.299 40.547 40.800 0.077 0.000 1.137 301 D HN 0.320 nan 8.370 nan 0.000 0.459 302 G N -0.774 108.204 108.800 0.298 0.000 3.086 302 G HA2 0.464 4.424 3.960 -0.000 0.000 0.282 302 G HA3 0.464 4.424 3.960 -0.000 0.000 0.282 302 G C -1.505 173.554 174.900 0.265 0.000 1.343 302 G CA -1.258 43.986 45.100 0.240 0.000 0.895 302 G HN 0.159 nan 8.290 nan 0.000 0.557 303 W N -0.185 121.154 121.300 0.065 0.000 2.272 303 W HA 0.628 5.287 4.660 -0.000 0.000 0.318 303 W C -0.818 175.658 176.519 -0.072 0.000 1.255 303 W CA 0.179 57.511 57.345 -0.022 0.000 1.200 303 W CB 0.769 30.089 29.460 -0.233 0.000 1.170 303 W HN 0.270 nan 8.180 nan 0.000 0.549 304 Y N 1.375 121.756 120.300 0.134 0.000 2.524 304 Y HA 0.493 5.043 4.550 -0.000 0.000 0.344 304 Y C 0.004 175.934 175.900 0.051 0.000 1.012 304 Y CA -1.828 56.332 58.100 0.100 0.000 1.068 304 Y CB 1.915 40.481 38.460 0.176 0.000 1.249 304 Y HN 0.273 nan 8.280 nan 0.000 0.468 305 R N 3.206 123.806 120.500 0.167 0.000 2.393 305 R HA 0.665 5.004 4.340 -0.000 0.000 0.315 305 R C -2.114 174.274 176.300 0.147 0.000 0.952 305 R CA -0.444 55.719 56.100 0.106 0.000 0.842 305 R CB 0.533 30.842 30.300 0.015 0.000 1.163 305 R HN 0.760 nan 8.270 nan 0.000 0.450 306 L N 4.686 125.995 121.223 0.143 0.000 2.322 306 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 306 L C 0.023 176.966 176.870 0.122 0.000 1.014 306 L CA -1.204 53.726 54.840 0.150 0.000 0.815 306 L CB 1.709 43.868 42.059 0.166 0.000 1.247 306 L HN 0.437 nan 8.230 nan 0.000 0.421 307 R N 4.001 124.566 120.500 0.108 0.000 2.346 307 R HA 0.376 4.716 4.340 -0.000 0.000 0.309 307 R C -0.884 175.469 176.300 0.089 0.000 1.119 307 R CA -0.622 55.533 56.100 0.092 0.000 1.112 307 R CB 0.997 31.340 30.300 0.073 0.000 1.132 307 R HN 0.424 nan 8.270 nan 0.000 0.538 308 L N 3.891 125.185 121.223 0.118 0.000 2.257 308 L HA 0.404 4.744 4.340 -0.000 0.000 0.290 308 L C -0.696 176.226 176.870 0.087 0.000 1.044 308 L CA -0.411 54.491 54.840 0.103 0.000 0.810 308 L CB 1.567 43.701 42.059 0.125 0.000 1.193 308 L HN 0.191 nan 8.230 nan 0.000 0.425 309 V N 6.787 126.668 119.914 -0.056 0.000 2.555 309 V HA 0.444 4.564 4.120 -0.000 0.000 0.302 309 V C -0.241 175.670 176.094 -0.306 0.000 1.038 309 V CA -0.848 61.304 62.300 -0.247 0.000 0.887 309 V CB 2.044 33.556 31.823 -0.518 0.000 0.991 309 V HN 0.879 nan 8.190 nan 0.000 0.434 310 N N 5.320 123.836 118.700 -0.307 0.000 2.415 310 N HA 0.401 5.141 4.740 -0.000 0.000 0.246 310 N C 0.320 175.524 175.510 -0.511 0.000 1.078 310 N CA 0.374 53.264 53.050 -0.266 0.000 0.942 310 N CB 1.618 40.071 38.487 -0.058 0.000 1.140 310 N HN 0.805 nan 8.380 nan 0.000 0.501 311 A N 2.541 125.062 122.820 -0.498 0.000 2.460 311 A HA 0.215 4.535 4.320 -0.000 0.000 0.258 311 A C 0.584 177.991 177.584 -0.295 0.000 1.300 311 A CA -0.386 51.290 52.037 -0.602 0.000 0.913 311 A CB -0.173 18.466 19.000 -0.601 0.000 1.031 311 A HN 0.539 nan 8.150 nan 0.000 0.512 312 S N 0.737 116.354 115.700 -0.137 0.000 2.584 312 S HA 0.036 4.506 4.470 -0.000 0.000 0.270 312 S C 1.165 175.760 174.600 -0.008 0.000 1.346 312 S CA -0.251 57.939 58.200 -0.016 0.000 1.018 312 S CB 0.466 63.737 63.200 0.118 0.000 0.899 312 S HN 0.596 nan 8.310 nan 0.000 0.542 313 N N 1.543 120.239 118.700 -0.007 0.000 2.069 313 N HA -0.101 4.638 4.740 -0.000 0.000 0.191 313 N C 1.147 176.612 175.510 -0.074 0.000 1.031 313 N CA 1.752 54.776 53.050 -0.044 0.000 0.852 313 N CB -0.117 38.347 38.487 -0.038 0.000 1.018 313 N HN 0.684 nan 8.380 nan 0.000 0.423 314 A N -1.363 121.376 122.820 -0.135 0.000 2.212 314 A HA 0.170 4.490 4.320 -0.000 0.000 0.169 314 A C 0.625 178.168 177.584 -0.067 0.000 1.802 314 A CA -0.429 51.478 52.037 -0.216 0.000 1.344 314 A CB 0.036 18.688 19.000 -0.579 0.000 1.566 314 A HN 0.118 nan 8.150 nan 0.000 0.419 315 R N 1.081 121.556 120.500 -0.042 0.000 2.522 315 R HA 0.304 4.644 4.340 -0.000 0.000 0.284 315 R C -1.003 175.316 176.300 0.032 0.000 1.032 315 R CA 0.183 56.356 56.100 0.121 0.000 1.049 315 R CB 0.030 30.299 30.300 -0.050 0.000 0.956 315 R HN 0.381 nan 8.270 nan 0.000 0.422 316 I N 5.609 126.191 120.570 0.021 0.000 2.312 316 I HA 0.096 4.266 4.170 -0.000 0.000 0.291 316 I C -0.483 175.578 176.117 -0.092 0.000 1.031 316 I CA -0.525 60.782 61.300 0.011 0.000 1.293 316 I CB 0.642 38.661 38.000 0.032 0.000 1.403 316 I HN 0.548 nan 8.210 nan 0.000 0.484 317 Y N 4.971 125.276 120.300 0.010 0.000 2.359 317 Y HA 0.135 4.684 4.550 -0.000 0.000 0.334 317 Y C 0.303 176.184 175.900 -0.033 0.000 1.058 317 Y CA -0.023 58.070 58.100 -0.011 0.000 1.244 317 Y CB 0.441 38.885 38.460 -0.026 0.000 1.187 317 Y HN 0.498 nan 8.280 nan 0.000 0.510 318 N N 4.572 123.322 118.700 0.082 0.000 2.817 318 N HA 0.308 5.047 4.740 -0.000 0.000 0.234 318 N C -1.344 174.205 175.510 0.065 0.000 1.066 318 N CA -0.333 52.749 53.050 0.053 0.000 0.926 318 N CB 0.422 38.919 38.487 0.018 0.000 1.176 318 N HN 0.409 nan 8.380 nan 0.000 0.506 319 L N 1.405 122.668 121.223 0.067 0.000 2.380 319 L HA 0.402 4.742 4.340 -0.000 0.000 0.273 319 L C -0.127 176.743 176.870 0.001 0.000 1.138 319 L CA -0.539 54.327 54.840 0.043 0.000 0.832 319 L CB 0.526 42.597 42.059 0.021 0.000 1.124 319 L HN 0.106 nan 8.230 nan 0.000 0.454 320 V N 3.892 123.688 119.914 -0.197 0.000 2.656 320 V HA 0.334 4.454 4.120 -0.000 0.000 0.307 320 V C -0.389 175.270 176.094 -0.725 0.000 1.051 320 V CA -0.665 61.222 62.300 -0.689 0.000 0.893 320 V CB 2.249 33.802 31.823 -0.450 0.000 0.999 320 V HN 0.441 nan 8.190 nan 0.000 0.426 321 L N 6.587 127.052 121.223 -1.263 0.000 2.260 321 L HA 0.640 4.980 4.340 -0.000 0.000 0.289 321 L C -0.241 176.378 176.870 -0.419 0.000 1.057 321 L CA 0.352 54.873 54.840 -0.532 0.000 0.811 321 L CB 0.477 42.398 42.059 -0.229 0.000 1.184 321 L HN 0.671 nan 8.230 nan 0.000 0.429 322 I N 0.915 121.355 120.570 -0.217 0.000 2.910 322 I HA 0.696 4.866 4.170 -0.000 0.000 0.310 322 I C -0.652 175.423 176.117 -0.069 0.000 1.043 322 I CA -0.893 60.324 61.300 -0.138 0.000 1.053 322 I CB 1.889 39.818 38.000 -0.119 0.000 1.242 322 I HN 0.562 nan 8.210 nan 0.000 0.452 323 D N 1.941 122.312 120.400 -0.049 0.000 2.567 323 D HA 0.193 4.832 4.640 -0.000 0.000 0.275 323 D C 0.563 176.842 176.300 -0.035 0.000 1.195 323 D CA -0.252 53.730 54.000 -0.031 0.000 1.087 323 D CB 0.387 41.175 40.800 -0.020 0.000 1.165 323 D HN 0.639 nan 8.370 nan 0.000 0.609 324 E N -0.919 119.263 120.200 -0.031 0.000 2.204 324 E HA -0.072 4.277 4.350 -0.000 0.000 0.195 324 E C 0.430 177.016 176.600 -0.023 0.000 0.990 324 E CA 1.122 57.505 56.400 -0.029 0.000 0.821 324 E CB -0.098 29.585 29.700 -0.028 0.000 0.750 324 E HN 0.346 nan 8.360 nan 0.000 0.477 325 D N 0.020 120.406 120.400 -0.023 0.000 2.325 325 D HA 0.016 4.656 4.640 -0.000 0.000 0.225 325 D C -0.453 175.832 176.300 -0.025 0.000 1.096 325 D CA 0.155 54.143 54.000 -0.021 0.000 0.844 325 D CB 0.250 41.039 40.800 -0.018 0.000 0.925 325 D HN -0.029 nan 8.370 nan 0.000 0.513 326 D N -0.069 120.312 120.400 -0.031 0.000 3.076 326 D HA -0.219 4.421 4.640 -0.000 0.000 0.218 326 D C 0.372 176.646 176.300 -0.045 0.000 1.156 326 D CA 0.487 54.463 54.000 -0.040 0.000 0.921 326 D CB -1.218 39.560 40.800 -0.036 0.000 1.113 326 D HN 0.335 nan 8.370 nan 0.000 0.418 327 R N 0.828 121.306 120.500 -0.037 0.000 2.265 327 R HA 0.370 4.710 4.340 -0.000 0.000 0.314 327 R C -2.550 173.725 176.300 -0.042 0.000 1.053 327 R CA -1.420 54.662 56.100 -0.030 0.000 0.931 327 R CB 0.822 31.112 30.300 -0.017 0.000 1.024 327 R HN -0.199 nan 8.270 nan 0.000 0.457 328 P HA -0.071 nan 4.420 nan 0.000 0.266 328 P C -0.997 176.314 177.300 0.018 0.000 1.195 328 P CA -0.055 63.007 63.100 -0.064 0.000 0.768 328 P CB 0.669 32.370 31.700 0.001 0.000 0.838 329 V N 5.978 125.911 119.914 0.031 0.000 2.320 329 V HA 0.265 4.384 4.120 -0.000 0.000 0.265 329 V C -1.646 174.552 176.094 0.173 0.000 1.048 329 V CA -1.499 60.845 62.300 0.073 0.000 0.865 329 V CB 0.621 32.461 31.823 0.027 0.000 1.043 329 V HN 0.586 nan 8.190 nan 0.000 0.474 330 P HA 0.411 nan 4.420 nan 0.000 0.282 330 P C 0.670 177.942 177.300 -0.047 0.000 1.259 330 P CA 0.188 63.306 63.100 0.030 0.000 0.826 330 P CB 1.621 33.330 31.700 0.014 0.000 1.064 331 G N -0.304 108.422 108.800 -0.122 0.000 2.136 331 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 331 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 331 G C 0.358 175.151 174.900 -0.178 0.000 0.989 331 G CA 0.126 45.151 45.100 -0.126 0.000 0.682 331 G HN 0.444 nan 8.290 nan 0.000 0.522 332 V N -1.178 118.576 119.914 -0.267 0.000 3.251 332 V HA 0.285 4.404 4.120 -0.000 0.000 0.239 332 V C 1.106 176.986 176.094 -0.358 0.000 1.332 332 V CA 1.076 63.198 62.300 -0.296 0.000 1.224 332 V CB 1.255 32.930 31.823 -0.247 0.000 1.004 332 V HN 0.226 nan 8.190 nan 0.000 0.464 333 V N 1.073 120.758 119.914 -0.383 0.000 2.472 333 V HA 0.554 4.673 4.120 -0.000 0.000 0.290 333 V C -0.996 174.858 176.094 -0.401 0.000 1.037 333 V CA -0.423 61.718 62.300 -0.266 0.000 0.908 333 V CB 1.300 33.034 31.823 -0.148 0.000 0.985 333 V HN 0.594 nan 8.190 nan 0.000 0.454 334 H N 2.004 121.081 119.070 0.011 0.000 2.877 334 H HA 0.426 4.982 4.556 -0.000 0.000 0.347 334 H C -0.559 174.806 175.328 0.062 0.000 1.042 334 H CA -0.453 55.624 56.048 0.048 0.000 1.276 334 H CB 1.399 31.245 29.762 0.140 0.000 1.681 334 H HN 0.643 nan 8.280 nan 0.000 0.521 335 Q N 3.434 123.324 119.800 0.151 0.000 2.267 335 Q HA 0.305 4.645 4.340 -0.000 0.000 0.255 335 Q C 0.321 176.392 176.000 0.119 0.000 0.923 335 Q CA -0.345 55.542 55.803 0.141 0.000 0.925 335 Q CB 0.746 29.572 28.738 0.145 0.000 1.195 335 Q HN 0.904 nan 8.270 nan 0.000 0.417 336 I N 0.161 120.794 120.570 0.105 0.000 4.288 336 I HA 0.557 4.727 4.170 -0.000 0.000 0.331 336 I C 0.496 176.642 176.117 0.048 0.000 1.322 336 I CA -0.371 60.970 61.300 0.067 0.000 1.149 336 I CB 1.083 39.123 38.000 0.067 0.000 1.112 336 I HN 0.470 nan 8.210 nan 0.000 0.403 337 G N 0.723 109.559 108.800 0.061 0.000 2.660 337 G HA2 0.666 4.626 3.960 -0.000 0.000 0.294 337 G HA3 0.666 4.626 3.960 -0.000 0.000 0.294 337 G C -1.020 173.896 174.900 0.025 0.000 1.369 337 G CA 0.085 45.214 45.100 0.049 0.000 0.912 337 G HN 0.317 nan 8.290 nan 0.000 0.479 338 S N -0.849 114.860 115.700 0.016 0.000 2.998 338 S HA 0.488 4.957 4.470 -0.000 0.000 0.323 338 S C 0.369 174.964 174.600 -0.008 0.000 1.141 338 S CA -0.214 57.945 58.200 -0.068 0.000 0.873 338 S CB 1.134 64.302 63.200 -0.053 0.000 1.315 338 S HN 0.331 nan 8.310 nan 0.000 0.637 339 D N 1.485 121.873 120.400 -0.019 0.000 2.126 339 D HA -0.048 4.592 4.640 -0.000 0.000 0.190 339 D C 1.662 178.094 176.300 0.221 0.000 1.001 339 D CA 2.112 56.165 54.000 0.088 0.000 0.841 339 D CB -0.945 39.914 40.800 0.098 0.000 0.949 339 D HN 0.763 nan 8.370 nan 0.000 0.446 340 G N -1.183 107.785 108.800 0.280 0.000 3.233 340 G HA2 0.466 4.425 3.960 -0.000 0.000 0.234 340 G HA3 0.466 4.425 3.960 -0.000 0.000 0.234 340 G C 0.692 175.755 174.900 0.272 0.000 1.137 340 G CA 0.477 45.791 45.100 0.356 0.000 0.763 340 G HN 0.659 nan 8.290 nan 0.000 0.549 341 G N -0.241 108.688 108.800 0.216 0.000 2.265 341 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.246 341 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.246 341 G C -0.525 174.473 174.900 0.163 0.000 1.299 341 G CA -0.939 44.251 45.100 0.149 0.000 1.117 341 G HN 0.416 nan 8.290 nan 0.000 0.485 342 L N 1.372 122.675 121.223 0.133 0.000 2.601 342 L HA 0.164 4.504 4.340 -0.000 0.000 0.277 342 L C 1.142 178.054 176.870 0.071 0.000 1.219 342 L CA -0.046 54.849 54.840 0.092 0.000 0.915 342 L CB -0.065 42.039 42.059 0.075 0.000 1.160 342 L HN 0.374 nan 8.230 nan 0.000 0.494 343 L N 6.279 127.488 121.223 -0.024 0.000 2.467 343 L HA 0.074 4.413 4.340 -0.000 0.000 0.270 343 L C -0.954 175.746 176.870 -0.283 0.000 1.205 343 L CA -1.404 53.327 54.840 -0.182 0.000 0.828 343 L CB 0.228 42.211 42.059 -0.126 0.000 1.101 343 L HN 0.478 nan 8.230 nan 0.000 0.479 344 P HA -0.113 nan 4.420 nan 0.000 0.215 344 P C -0.023 177.161 177.300 -0.194 0.000 1.157 344 P CA 1.549 64.369 63.100 -0.468 0.000 0.868 344 P CB 0.256 31.539 31.700 -0.694 0.000 0.788 345 R N -1.128 119.269 120.500 -0.171 0.000 2.807 345 R HA 0.513 4.853 4.340 -0.000 0.000 0.276 345 R C -2.706 173.563 176.300 -0.053 0.000 0.979 345 R CA -2.551 53.499 56.100 -0.084 0.000 0.928 345 R CB 0.961 31.223 30.300 -0.063 0.000 1.191 345 R HN -0.080 nan 8.270 nan 0.000 0.471 346 P HA 0.095 nan 4.420 nan 0.000 0.271 346 P C -0.859 176.470 177.300 0.048 0.000 1.218 346 P CA -0.340 62.779 63.100 0.032 0.000 0.780 346 P CB 0.685 32.411 31.700 0.043 0.000 0.901 347 V N 4.861 124.815 119.914 0.068 0.000 2.407 347 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 347 V C -2.156 173.955 176.094 0.027 0.000 1.018 347 V CA -1.988 60.333 62.300 0.036 0.000 0.842 347 V CB 1.664 33.498 31.823 0.019 0.000 0.996 347 V HN 0.551 nan 8.190 nan 0.000 0.426 348 P HA 0.177 nan 4.420 nan 0.000 0.276 348 P C -0.605 176.557 177.300 -0.230 0.000 1.243 348 P CA -0.012 63.007 63.100 -0.134 0.000 0.768 348 P CB 1.304 32.944 31.700 -0.099 0.000 0.856 349 V N 4.142 123.836 119.914 -0.367 0.000 2.259 349 V HA 0.134 4.253 4.120 -0.000 0.000 0.267 349 V C 0.661 176.240 176.094 -0.859 0.000 1.051 349 V CA 0.097 62.058 62.300 -0.564 0.000 0.830 349 V CB 0.572 32.071 31.823 -0.541 0.000 1.080 349 V HN 0.443 nan 8.190 nan 0.000 0.467 350 D N 3.511 123.542 120.400 -0.616 0.000 2.369 350 D HA 0.174 4.813 4.640 -0.000 0.000 0.211 350 D C 0.731 176.866 176.300 -0.274 0.000 1.077 350 D CA -0.056 53.691 54.000 -0.421 0.000 0.842 350 D CB 0.151 40.832 40.800 -0.198 0.000 0.947 350 D HN 0.547 nan 8.370 nan 0.000 0.509 351 F N 1.327 121.246 119.950 -0.052 0.000 3.004 351 F HA -0.285 4.242 4.527 -0.000 0.000 0.264 351 F C 0.642 176.423 175.800 -0.031 0.000 0.979 351 F CA 0.095 58.072 58.000 -0.039 0.000 0.896 351 F CB -1.909 37.067 39.000 -0.040 0.000 0.813 351 F HN 0.071 nan 8.300 nan 0.000 0.804 352 D N -1.385 119.041 120.400 0.044 0.000 2.535 352 D HA 0.248 4.887 4.640 -0.000 0.000 0.240 352 D C 1.015 177.325 176.300 0.018 0.000 1.200 352 D CA 0.100 54.118 54.000 0.030 0.000 1.088 352 D CB 0.097 40.897 40.800 -0.000 0.000 1.197 352 D HN -0.057 nan 8.370 nan 0.000 0.620 353 D N -1.034 119.369 120.400 0.006 0.000 2.271 353 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 353 D C 1.775 178.074 176.300 -0.002 0.000 0.967 353 D CA 1.012 55.015 54.000 0.006 0.000 0.867 353 D CB -0.325 40.478 40.800 0.006 0.000 0.960 353 D HN 0.376 nan 8.370 nan 0.000 0.509 354 T N 0.730 115.276 114.554 -0.013 0.000 2.822 354 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 354 T C 0.857 175.542 174.700 -0.024 0.000 1.064 354 T CA 0.791 62.880 62.100 -0.019 0.000 1.131 354 T CB 0.221 69.071 68.868 -0.030 0.000 0.858 354 T HN -0.026 nan 8.240 nan 0.000 0.483 355 L N 0.999 122.201 121.223 -0.034 0.000 2.572 355 L HA 0.281 4.621 4.340 -0.000 0.000 0.249 355 L C -2.265 174.592 176.870 -0.022 0.000 1.114 355 L CA -1.184 53.633 54.840 -0.038 0.000 0.933 355 L CB 1.601 43.608 42.059 -0.087 0.000 1.131 355 L HN -0.248 nan 8.230 nan 0.000 0.507 356 P HA -0.042 nan 4.420 nan 0.000 0.218 356 P C 0.221 177.647 177.300 0.209 0.000 1.149 356 P CA 1.279 64.440 63.100 0.102 0.000 0.817 356 P CB 0.282 32.021 31.700 0.066 0.000 0.785 357 V N -3.778 116.232 119.914 0.159 0.000 2.841 357 V HA 0.508 4.628 4.120 -0.000 0.000 0.310 357 V C -0.771 175.400 176.094 0.128 0.000 1.090 357 V CA -1.777 60.646 62.300 0.206 0.000 0.930 357 V CB 2.063 33.949 31.823 0.105 0.000 1.014 357 V HN -0.194 nan 8.190 nan 0.000 0.425 358 L N 3.641 124.956 121.223 0.154 0.000 2.385 358 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 358 L C 0.593 177.416 176.870 -0.078 0.000 1.106 358 L CA 0.775 55.609 54.840 -0.011 0.000 0.856 358 L CB 0.777 42.801 42.059 -0.059 0.000 1.186 358 L HN 1.017 nan 8.230 nan 0.000 0.453 359 S N 4.832 120.505 115.700 -0.043 0.000 2.404 359 S HA 0.753 5.223 4.470 -0.000 0.000 0.309 359 S C -0.128 174.478 174.600 0.010 0.000 1.076 359 S CA -0.341 57.861 58.200 0.003 0.000 1.095 359 S CB 0.218 63.456 63.200 0.063 0.000 0.972 359 S HN 0.869 nan 8.310 nan 0.000 0.484 360 A N 4.673 127.472 122.820 -0.034 0.000 2.328 360 A HA 0.774 5.093 4.320 -0.000 0.000 0.318 360 A C 0.408 178.101 177.584 0.182 0.000 1.347 360 A CA -0.571 51.510 52.037 0.074 0.000 0.842 360 A CB 0.311 19.171 19.000 -0.233 0.000 1.148 360 A HN 1.126 nan 8.150 nan 0.000 0.499 361 A N 3.824 126.765 122.820 0.202 0.000 2.313 361 A HA 0.693 5.013 4.320 -0.000 0.000 0.261 361 A C -2.484 175.140 177.584 0.067 0.000 1.090 361 A CA -1.551 50.560 52.037 0.124 0.000 0.807 361 A CB -0.382 18.684 19.000 0.110 0.000 1.055 361 A HN 0.541 nan 8.150 nan 0.000 0.492 362 P HA 0.181 nan 4.420 nan 0.000 0.260 362 P C 0.546 177.711 177.300 -0.226 0.000 1.172 362 P CA 2.247 65.321 63.100 -0.043 0.000 0.760 362 P CB 0.696 32.453 31.700 0.095 0.000 0.773 363 A N 2.690 125.258 122.820 -0.421 0.000 3.526 363 A HA -0.230 4.090 4.320 -0.000 0.000 0.254 363 A C 0.561 177.866 177.584 -0.464 0.000 1.109 363 A CA 0.610 52.300 52.037 -0.578 0.000 1.395 363 A CB -2.348 16.100 19.000 -0.920 0.000 1.057 363 A HN 0.545 nan 8.150 nan 0.000 0.901 364 E N -0.290 119.744 120.200 -0.277 0.000 2.383 364 E HA 0.466 4.815 4.350 -0.000 0.000 0.264 364 E C 0.257 176.661 176.600 -0.328 0.000 1.050 364 E CA -0.227 56.016 56.400 -0.260 0.000 0.896 364 E CB 0.430 30.049 29.700 -0.135 0.000 0.982 364 E HN 0.478 nan 8.360 nan 0.000 0.424 365 R N 1.455 121.657 120.500 -0.497 0.000 2.637 365 R HA 0.490 4.830 4.340 -0.000 0.000 0.291 365 R C -1.154 174.764 176.300 -0.638 0.000 0.963 365 R CA -0.478 55.406 56.100 -0.360 0.000 0.901 365 R CB 1.122 31.333 30.300 -0.148 0.000 1.160 365 R HN 0.351 nan 8.270 nan 0.000 0.457 366 F N 0.479 120.421 119.950 -0.013 0.000 2.562 366 F HA 0.228 4.755 4.527 -0.000 0.000 0.319 366 F C -0.370 175.446 175.800 0.026 0.000 1.154 366 F CA -1.013 56.997 58.000 0.016 0.000 0.931 366 F CB 1.915 40.925 39.000 0.016 0.000 1.198 366 F HN 0.284 nan 8.300 nan 0.000 0.444 367 D N 4.691 125.192 120.400 0.168 0.000 2.396 367 D HA 0.440 5.080 4.640 -0.000 0.000 0.225 367 D C -0.952 175.435 176.300 0.145 0.000 1.121 367 D CA 0.053 54.128 54.000 0.126 0.000 0.853 367 D CB 0.746 41.593 40.800 0.079 0.000 1.043 367 D HN 0.450 nan 8.370 nan 0.000 0.500 368 L N 3.962 125.271 121.223 0.143 0.000 2.322 368 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 368 L C -0.090 176.860 176.870 0.133 0.000 1.014 368 L CA -0.945 53.977 54.840 0.137 0.000 0.815 368 L CB 1.797 43.925 42.059 0.115 0.000 1.247 368 L HN 0.173 nan 8.230 nan 0.000 0.421 369 L N 3.993 125.326 121.223 0.182 0.000 2.309 369 L HA 0.626 4.966 4.340 -0.000 0.000 0.282 369 L C -0.354 176.642 176.870 0.210 0.000 1.036 369 L CA -0.976 54.010 54.840 0.243 0.000 0.806 369 L CB 1.952 44.228 42.059 0.360 0.000 1.220 369 L HN 0.386 nan 8.230 nan 0.000 0.429 370 V N -1.331 118.601 119.914 0.032 0.000 2.531 370 V HA 0.452 4.572 4.120 -0.000 0.000 0.301 370 V C -0.904 174.772 176.094 -0.696 0.000 1.034 370 V CA -0.682 61.383 62.300 -0.391 0.000 0.865 370 V CB 1.815 33.222 31.823 -0.694 0.000 0.995 370 V HN 0.680 nan 8.190 nan 0.000 0.424 371 D N 3.929 123.771 120.400 -0.930 0.000 2.456 371 D HA 0.398 5.038 4.640 -0.000 0.000 0.219 371 D C -0.061 175.749 176.300 -0.818 0.000 1.126 371 D CA -0.580 52.658 54.000 -1.270 0.000 0.890 371 D CB 0.763 40.651 40.800 -1.519 0.000 1.025 371 D HN 0.493 nan 8.370 nan 0.000 0.511 372 F N 2.131 121.866 119.950 -0.359 0.000 2.692 372 F HA 0.283 4.810 4.527 -0.000 0.000 0.303 372 F C 2.127 177.835 175.800 -0.153 0.000 1.114 372 F CA -0.279 57.595 58.000 -0.211 0.000 1.361 372 F CB 0.035 38.949 39.000 -0.144 0.000 1.063 372 F HN 0.265 nan 8.300 nan 0.000 0.550 373 R N 0.372 120.825 120.500 -0.080 0.000 2.105 373 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 373 R C 1.867 178.172 176.300 0.009 0.000 1.135 373 R CA 1.365 57.453 56.100 -0.020 0.000 0.967 373 R CB -0.310 29.959 30.300 -0.051 0.000 0.861 373 R HN 0.242 nan 8.270 nan 0.000 0.442 374 A N -0.095 122.718 122.820 -0.010 0.000 2.415 374 A HA 0.203 4.522 4.320 -0.000 0.000 0.248 374 A C 1.028 178.622 177.584 0.016 0.000 1.299 374 A CA -0.023 52.015 52.037 0.003 0.000 0.899 374 A CB 0.306 19.299 19.000 -0.011 0.000 0.997 374 A HN 0.157 nan 8.150 nan 0.000 0.506 375 L N -0.338 120.908 121.223 0.039 0.000 3.122 375 L HA 0.261 4.600 4.340 -0.000 0.000 0.274 375 L C 1.240 178.118 176.870 0.014 0.000 1.222 375 L CA -0.444 54.422 54.840 0.042 0.000 1.028 375 L CB 0.636 42.755 42.059 0.101 0.000 1.386 375 L HN 0.383 nan 8.230 nan 0.000 0.578 376 G N -0.221 108.587 108.800 0.013 0.000 2.187 376 G HA2 0.239 4.199 3.960 -0.000 0.000 0.239 376 G HA3 0.239 4.199 3.960 -0.000 0.000 0.239 376 G C 1.193 176.083 174.900 -0.017 0.000 1.200 376 G CA 0.603 45.702 45.100 -0.003 0.000 0.888 376 G HN 0.517 nan 8.290 nan 0.000 0.482 377 G N 1.558 110.339 108.800 -0.032 0.000 2.168 377 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.263 377 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.263 377 G C 0.692 175.566 174.900 -0.044 0.000 0.977 377 G CA 0.655 45.733 45.100 -0.036 0.000 0.659 377 G HN 0.813 nan 8.290 nan 0.000 0.533 378 R N -0.536 119.934 120.500 -0.050 0.000 2.758 378 R HA 0.744 5.084 4.340 -0.000 0.000 0.265 378 R C 0.179 176.435 176.300 -0.072 0.000 1.016 378 R CA -0.799 55.273 56.100 -0.047 0.000 1.040 378 R CB 0.924 31.210 30.300 -0.023 0.000 1.152 378 R HN 0.281 nan 8.270 nan 0.000 0.503 379 R N 0.919 121.379 120.500 -0.067 0.000 2.480 379 R HA 0.541 4.881 4.340 -0.000 0.000 0.306 379 R C -0.707 175.556 176.300 -0.062 0.000 0.958 379 R CA -0.391 55.656 56.100 -0.090 0.000 0.861 379 R CB 1.412 31.644 30.300 -0.113 0.000 1.171 379 R HN 0.353 nan 8.270 nan 0.000 0.445 380 L N 2.525 123.730 121.223 -0.031 0.000 2.370 380 L HA 0.656 4.996 4.340 -0.000 0.000 0.266 380 L C -0.236 176.641 176.870 0.011 0.000 1.002 380 L CA -1.064 53.789 54.840 0.022 0.000 0.818 380 L CB 2.352 44.482 42.059 0.119 0.000 1.325 380 L HN 0.402 nan 8.230 nan 0.000 0.418 381 R N 1.423 121.907 120.500 -0.028 0.000 2.562 381 R HA 0.558 4.898 4.340 -0.000 0.000 0.298 381 R C -1.279 175.021 176.300 -0.001 0.000 0.961 381 R CA -0.946 55.108 56.100 -0.076 0.000 0.881 381 R CB 2.208 32.444 30.300 -0.107 0.000 1.159 381 R HN 0.269 nan 8.270 nan 0.000 0.450 382 L N 4.612 125.860 121.223 0.042 0.000 2.281 382 L HA 0.354 4.694 4.340 -0.000 0.000 0.285 382 L C -0.486 176.396 176.870 0.019 0.000 1.074 382 L CA -0.155 54.712 54.840 0.046 0.000 0.817 382 L CB 1.335 43.471 42.059 0.127 0.000 1.168 382 L HN 0.497 nan 8.230 nan 0.000 0.434 383 V N 1.094 120.996 119.914 -0.020 0.000 3.074 383 V HA 0.675 4.794 4.120 -0.000 0.000 0.314 383 V C -0.778 175.346 176.094 0.051 0.000 1.117 383 V CA -1.007 61.305 62.300 0.019 0.000 1.014 383 V CB 2.033 33.846 31.823 -0.016 0.000 1.057 383 V HN 0.678 nan 8.190 nan 0.000 0.438 384 D N 1.819 122.285 120.400 0.109 0.000 2.274 384 D HA 0.291 4.931 4.640 -0.000 0.000 0.239 384 D C -0.413 175.902 176.300 0.025 0.000 1.104 384 D CA -0.118 53.959 54.000 0.127 0.000 0.840 384 D CB 1.383 42.314 40.800 0.218 0.000 1.100 384 D HN 0.758 nan 8.370 nan 0.000 0.477 385 K N 2.914 123.314 120.400 -0.001 0.000 2.248 385 K HA 0.520 4.840 4.320 -0.000 0.000 0.281 385 K C 0.100 176.672 176.600 -0.047 0.000 1.054 385 K CA -0.675 55.594 56.287 -0.029 0.000 0.903 385 K CB 0.972 33.456 32.500 -0.026 0.000 1.077 385 K HN 0.560 nan 8.250 nan 0.000 0.474 386 G N 3.854 112.617 108.800 -0.062 0.000 2.448 386 G HA2 0.189 4.149 3.960 -0.000 0.000 0.285 386 G HA3 0.189 4.149 3.960 -0.000 0.000 0.285 386 G C -1.533 173.326 174.900 -0.069 0.000 1.176 386 G CA -1.293 43.757 45.100 -0.082 0.000 0.852 386 G HN 0.466 nan 8.290 nan 0.000 0.530 387 P HA -0.062 nan 4.420 nan 0.000 0.219 387 P C 1.349 178.616 177.300 -0.054 0.000 1.146 387 P CA 1.533 64.597 63.100 -0.060 0.000 0.808 387 P CB 0.284 31.942 31.700 -0.070 0.000 0.779 388 G N -1.539 107.223 108.800 -0.063 0.000 3.393 388 G HA2 0.506 4.465 3.960 -0.000 0.000 0.255 388 G HA3 0.506 4.465 3.960 -0.000 0.000 0.255 388 G C 0.129 174.997 174.900 -0.052 0.000 1.097 388 G CA 0.435 45.501 45.100 -0.056 0.000 0.780 388 G HN 0.549 nan 8.290 nan 0.000 0.540 389 A N -0.060 122.729 122.820 -0.051 0.000 2.589 389 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 389 A C -3.053 174.506 177.584 -0.042 0.000 1.062 389 A CA -1.175 50.834 52.037 -0.047 0.000 0.686 389 A CB 1.283 20.250 19.000 -0.055 0.000 1.282 389 A HN -0.015 nan 8.150 nan 0.000 0.404 390 P HA 0.301 nan 4.420 nan 0.000 0.269 390 P C 0.209 177.484 177.300 -0.042 0.000 1.211 390 P CA 0.409 63.488 63.100 -0.035 0.000 0.781 390 P CB 0.399 32.080 31.700 -0.031 0.000 0.877 391 A N 1.984 124.776 122.820 -0.047 0.000 2.573 391 A HA 0.334 4.654 4.320 -0.000 0.000 0.250 391 A C 1.582 179.131 177.584 -0.058 0.000 1.049 391 A CA 1.015 53.015 52.037 -0.062 0.000 0.767 391 A CB -1.685 17.261 19.000 -0.091 0.000 0.965 391 A HN 0.903 nan 8.150 nan 0.000 0.514 392 G N 2.155 110.924 108.800 -0.053 0.000 2.234 392 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.235 392 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.235 392 G C 0.414 175.288 174.900 -0.044 0.000 0.997 392 G CA 0.383 45.456 45.100 -0.045 0.000 0.623 392 G HN 1.273 nan 8.290 nan 0.000 0.514 393 T N 3.641 118.167 114.554 -0.047 0.000 2.799 393 T HA 0.556 4.906 4.350 -0.000 0.000 0.286 393 T C -2.293 172.370 174.700 -0.061 0.000 0.973 393 T CA -0.834 61.236 62.100 -0.049 0.000 1.035 393 T CB 2.096 70.937 68.868 -0.045 0.000 0.932 393 T HN 0.059 nan 8.240 nan 0.000 0.469 394 P HA 0.187 nan 4.420 nan 0.000 0.266 394 P C -0.456 176.781 177.300 -0.104 0.000 1.195 394 P CA 0.050 63.091 63.100 -0.098 0.000 0.768 394 P CB 0.394 32.028 31.700 -0.110 0.000 0.838 395 D N 3.186 123.511 120.400 -0.125 0.000 2.735 395 D HA 0.158 4.798 4.640 -0.000 0.000 0.291 395 D C -1.908 174.302 176.300 -0.150 0.000 1.205 395 D CA -1.876 52.052 54.000 -0.120 0.000 0.777 395 D CB 0.432 41.171 40.800 -0.102 0.000 1.234 395 D HN 0.051 nan 8.370 nan 0.000 0.520 396 P HA -0.076 nan 4.420 nan 0.000 0.219 396 P C 1.902 179.106 177.300 -0.161 0.000 1.150 396 P CA 0.346 63.330 63.100 -0.193 0.000 0.814 396 P CB 0.706 32.287 31.700 -0.200 0.000 0.787 397 L N -0.599 120.544 121.223 -0.132 0.000 2.131 397 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 397 L C 2.371 179.162 176.870 -0.131 0.000 1.092 397 L CA 1.779 56.549 54.840 -0.116 0.000 0.759 397 L CB -1.115 40.888 42.059 -0.093 0.000 0.903 397 L HN 0.074 nan 8.230 nan 0.000 0.435 398 G N -1.974 106.743 108.800 -0.139 0.000 3.141 398 G HA2 0.278 4.238 3.960 -0.000 0.000 0.218 398 G HA3 0.278 4.238 3.960 -0.000 0.000 0.218 398 G C 1.105 175.886 174.900 -0.199 0.000 1.170 398 G CA 0.399 45.407 45.100 -0.153 0.000 0.769 398 G HN 0.491 nan 8.290 nan 0.000 0.546 399 G N -1.057 107.615 108.800 -0.213 0.000 2.136 399 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.242 399 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.242 399 G C 0.129 174.892 174.900 -0.229 0.000 0.989 399 G CA 0.197 45.142 45.100 -0.259 0.000 0.682 399 G HN 0.884 nan 8.290 nan 0.000 0.522 400 V N 0.980 120.777 119.914 -0.194 0.000 2.320 400 V HA 0.358 4.478 4.120 -0.000 0.000 0.257 400 V C 1.461 177.440 176.094 -0.192 0.000 0.996 400 V CA 0.243 62.446 62.300 -0.162 0.000 0.928 400 V CB 0.780 32.528 31.823 -0.125 0.000 1.169 400 V HN 0.432 nan 8.190 nan 0.000 0.475 401 R N 2.341 122.672 120.500 -0.282 0.000 2.075 401 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 401 R C -0.218 175.750 176.300 -0.552 0.000 1.126 401 R CA 1.319 57.128 56.100 -0.484 0.000 0.963 401 R CB 0.176 30.058 30.300 -0.695 0.000 0.858 401 R HN 0.562 nan 8.270 nan 0.000 0.435 402 Y N -0.084 120.172 120.300 -0.074 0.000 2.575 402 Y HA 0.341 4.891 4.550 -0.000 0.000 0.326 402 Y C -1.846 174.003 175.900 -0.085 0.000 0.979 402 Y CA -2.730 55.306 58.100 -0.106 0.000 1.286 402 Y CB 1.856 40.283 38.460 -0.056 0.000 1.093 402 Y HN 0.090 nan 8.280 nan 0.000 0.501 403 P HA -0.189 nan 4.420 nan 0.000 0.217 403 P C -0.334 176.980 177.300 0.023 0.000 1.148 403 P CA 1.329 64.434 63.100 0.008 0.000 0.834 403 P CB 0.232 31.913 31.700 -0.031 0.000 0.783 404 E N -0.963 119.155 120.200 -0.137 0.000 2.480 404 E HA 0.013 4.363 4.350 -0.000 0.000 0.258 404 E C 1.055 177.722 176.600 0.111 0.000 0.984 404 E CA 0.143 56.437 56.400 -0.176 0.000 0.930 404 E CB 0.273 29.471 29.700 -0.836 0.000 0.936 404 E HN -0.062 nan 8.360 nan 0.000 0.466 405 V N 3.369 123.415 119.914 0.220 0.000 2.599 405 V HA 0.206 4.326 4.120 -0.000 0.000 0.237 405 V C 0.606 176.892 176.094 0.320 0.000 1.081 405 V CA 1.172 63.631 62.300 0.266 0.000 1.107 405 V CB -0.467 31.416 31.823 0.101 0.000 0.808 405 V HN 0.813 nan 8.190 nan 0.000 0.486 406 M N -1.206 118.528 119.600 0.223 0.000 2.956 406 M HA 0.571 5.051 4.480 -0.000 0.000 0.272 406 M C -1.528 174.535 176.300 -0.396 0.000 1.132 406 M CA -0.589 54.764 55.300 0.088 0.000 0.805 406 M CB 2.527 35.047 32.600 -0.133 0.000 1.639 406 M HN 0.002 nan 8.290 nan 0.000 0.520 407 E N 1.071 120.845 120.200 -0.710 0.000 2.199 407 E HA 0.622 4.972 4.350 -0.000 0.000 0.265 407 E C -2.080 174.120 176.600 -0.665 0.000 0.882 407 E CA -0.617 55.278 56.400 -0.843 0.000 0.759 407 E CB 1.691 30.616 29.700 -1.292 0.000 1.148 407 E HN 0.568 nan 8.360 nan 0.000 0.412 408 F N 3.066 122.863 119.950 -0.256 0.000 2.411 408 F HA 0.418 4.945 4.527 -0.000 0.000 0.350 408 F C 0.510 176.125 175.800 -0.308 0.000 1.114 408 F CA -0.614 57.212 58.000 -0.289 0.000 1.135 408 F CB 1.152 39.942 39.000 -0.350 0.000 1.120 408 F HN 0.227 nan 8.300 nan 0.000 0.495 409 R N 2.888 123.306 120.500 -0.138 0.000 2.275 409 R HA 0.501 4.841 4.340 -0.000 0.000 0.326 409 R C -1.427 174.755 176.300 -0.197 0.000 0.973 409 R CA -0.749 55.257 56.100 -0.157 0.000 0.854 409 R CB 1.459 31.674 30.300 -0.142 0.000 1.156 409 R HN 0.374 nan 8.270 nan 0.000 0.487 410 V N 3.688 123.468 119.914 -0.224 0.000 2.432 410 V HA 0.253 4.373 4.120 -0.000 0.000 0.271 410 V C 0.753 176.772 176.094 -0.124 0.000 1.046 410 V CA -0.553 61.597 62.300 -0.250 0.000 0.945 410 V CB 0.912 32.566 31.823 -0.281 0.000 0.992 410 V HN 0.587 nan 8.190 nan 0.000 0.471 411 R N 3.119 123.566 120.500 -0.089 0.000 2.308 411 R HA 0.256 4.596 4.340 -0.000 0.000 0.305 411 R C 0.029 176.321 176.300 -0.012 0.000 1.053 411 R CA -0.486 55.592 56.100 -0.038 0.000 0.957 411 R CB 0.927 31.218 30.300 -0.014 0.000 1.022 411 R HN 0.862 nan 8.270 nan 0.000 0.461 412 E N 2.305 122.500 120.200 -0.007 0.000 2.217 412 E HA 0.077 4.427 4.350 -0.000 0.000 0.279 412 E C -0.833 175.777 176.600 0.017 0.000 1.068 412 E CA 0.054 56.458 56.400 0.007 0.000 0.882 412 E CB 0.781 30.482 29.700 0.002 0.000 1.039 412 E HN 0.453 nan 8.360 nan 0.000 0.418 413 T N 2.794 117.366 114.554 0.030 0.000 2.922 413 T HA 0.275 4.624 4.350 -0.000 0.000 0.281 413 T C -0.187 174.532 174.700 0.032 0.000 1.005 413 T CA -0.730 61.390 62.100 0.032 0.000 0.982 413 T CB 1.163 70.057 68.868 0.043 0.000 1.158 413 T HN 0.520 nan 8.240 nan 0.000 0.566 414 C N 2.179 121.498 119.300 0.031 0.000 2.429 414 C HA 0.376 4.835 4.460 -0.000 0.000 0.310 414 C C 0.423 175.435 174.990 0.036 0.000 1.446 414 C CA -0.527 58.509 59.018 0.031 0.000 1.747 414 C CB -1.781 25.973 27.740 0.024 0.000 2.865 414 C HN 0.640 nan 8.230 nan 0.000 0.554 415 E N 1.478 121.706 120.200 0.046 0.000 2.176 415 E HA 0.215 4.565 4.350 -0.000 0.000 0.267 415 E C -0.493 176.147 176.600 0.066 0.000 0.893 415 E CA -0.331 56.100 56.400 0.052 0.000 0.761 415 E CB 1.462 31.194 29.700 0.053 0.000 1.133 415 E HN 0.442 nan 8.360 nan 0.000 0.409 416 E N 2.063 122.301 120.200 0.064 0.000 2.360 416 E HA 0.052 4.401 4.350 -0.000 0.000 0.269 416 E C -0.631 176.031 176.600 0.103 0.000 1.022 416 E CA 0.315 56.762 56.400 0.079 0.000 0.887 416 E CB 0.802 30.540 29.700 0.063 0.000 0.990 416 E HN 0.342 nan 8.360 nan 0.000 0.426 417 D N 1.185 121.674 120.400 0.148 0.000 2.471 417 D HA 0.084 4.724 4.640 -0.000 0.000 0.245 417 D C 0.202 176.634 176.300 0.220 0.000 1.116 417 D CA -0.445 53.678 54.000 0.204 0.000 0.853 417 D CB 0.950 41.938 40.800 0.313 0.000 1.123 417 D HN 0.268 nan 8.370 nan 0.000 0.540 418 S N 3.413 119.203 115.700 0.151 0.000 2.557 418 S HA 0.097 4.567 4.470 -0.000 0.000 0.223 418 S C 0.815 175.441 174.600 0.044 0.000 0.969 418 S CA -0.639 57.620 58.200 0.098 0.000 0.927 418 S CB -0.493 62.734 63.200 0.045 0.000 0.806 418 S HN 0.384 nan 8.310 nan 0.000 0.489 419 F N 3.591 123.483 119.950 -0.098 0.000 2.537 419 F HA 0.262 4.788 4.527 -0.000 0.000 0.402 419 F C 0.427 176.004 175.800 -0.371 0.000 1.005 419 F CA -0.208 57.608 58.000 -0.307 0.000 1.203 419 F CB -0.098 38.562 39.000 -0.567 0.000 0.955 419 F HN 0.335 nan 8.300 nan 0.000 0.547 420 A N 7.312 129.403 122.820 -1.216 0.000 2.304 420 A HA 0.618 4.938 4.320 -0.000 0.000 0.323 420 A C -1.494 175.321 177.584 -1.281 0.000 1.195 420 A CA -0.813 50.668 52.037 -0.927 0.000 0.826 420 A CB 1.175 19.874 19.000 -0.501 0.000 1.184 420 A HN 0.811 nan 8.150 nan 0.000 0.496 421 L N 5.260 126.001 121.223 -0.804 0.000 2.277 421 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 421 L C -1.920 174.764 176.870 -0.311 0.000 1.028 421 L CA -1.489 53.014 54.840 -0.562 0.000 0.835 421 L CB 0.932 42.733 42.059 -0.430 0.000 1.215 421 L HN 0.574 nan 8.230 nan 0.000 0.425 422 P HA 0.173 nan 4.420 nan 0.000 0.274 422 P C -0.043 177.195 177.300 -0.104 0.000 1.237 422 P CA -0.269 62.735 63.100 -0.160 0.000 0.793 422 P CB 0.927 32.545 31.700 -0.137 0.000 0.977 423 E N -0.122 120.034 120.200 -0.073 0.000 2.204 423 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 423 E C 0.245 176.822 176.600 -0.039 0.000 0.989 423 E CA 0.906 57.279 56.400 -0.045 0.000 0.824 423 E CB 0.054 29.734 29.700 -0.033 0.000 0.756 423 E HN 0.209 nan 8.360 nan 0.000 0.477 424 V N 1.891 121.779 119.914 -0.042 0.000 2.448 424 V HA 0.075 4.195 4.120 -0.000 0.000 0.295 424 V C 0.581 176.652 176.094 -0.038 0.000 1.025 424 V CA -0.211 62.069 62.300 -0.033 0.000 0.859 424 V CB 1.896 33.708 31.823 -0.018 0.000 0.988 424 V HN 0.034 nan 8.190 nan 0.000 0.431 425 L N 4.153 125.354 121.223 -0.037 0.000 2.269 425 L HA 0.407 4.747 4.340 -0.000 0.000 0.200 425 L C 1.224 178.089 176.870 -0.008 0.000 1.069 425 L CA 1.293 56.114 54.840 -0.032 0.000 0.804 425 L CB 0.540 42.578 42.059 -0.034 0.000 0.987 425 L HN 0.611 nan 8.230 nan 0.000 0.468 426 S N -0.960 114.746 115.700 0.010 0.000 2.437 426 S HA 0.491 4.961 4.470 -0.000 0.000 0.305 426 S C 1.051 175.701 174.600 0.084 0.000 1.109 426 S CA -0.177 58.059 58.200 0.061 0.000 1.099 426 S CB 1.396 64.668 63.200 0.120 0.000 1.004 426 S HN 0.395 nan 8.310 nan 0.000 0.475 427 G N 2.560 111.399 108.800 0.064 0.000 2.403 427 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.216 427 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.216 427 G C 1.581 176.531 174.900 0.083 0.000 1.154 427 G CA 0.881 46.017 45.100 0.060 0.000 0.784 427 G HN 0.899 nan 8.290 nan 0.000 0.538 428 S N -0.275 115.481 115.700 0.094 0.000 2.453 428 S HA 0.122 4.591 4.470 -0.000 0.000 0.231 428 S C 0.916 175.594 174.600 0.131 0.000 1.005 428 S CA -0.371 57.880 58.200 0.086 0.000 0.949 428 S CB -0.378 62.859 63.200 0.062 0.000 0.774 428 S HN 0.167 nan 8.310 nan 0.000 0.510 429 F N 4.603 124.587 119.950 0.056 0.000 2.541 429 F HA 0.346 4.873 4.527 -0.000 0.000 0.378 429 F C 0.458 176.277 175.800 0.032 0.000 1.068 429 F CA -0.502 57.542 58.000 0.072 0.000 1.199 429 F CB 0.436 39.461 39.000 0.041 0.000 1.091 429 F HN -0.006 nan 8.300 nan 0.000 0.555 430 R N 5.302 125.425 120.500 -0.629 0.000 2.437 430 R HA 0.318 4.658 4.340 -0.000 0.000 0.310 430 R C -0.621 175.184 176.300 -0.825 0.000 0.955 430 R CA -1.287 54.520 56.100 -0.489 0.000 0.851 430 R CB 1.465 31.628 30.300 -0.228 0.000 1.161 430 R HN 0.633 nan 8.270 nan 0.000 0.446 431 R N 2.182 122.419 120.500 -0.438 0.000 2.489 431 R HA 0.112 4.452 4.340 -0.000 0.000 0.287 431 R C 0.280 176.470 176.300 -0.184 0.000 1.053 431 R CA 0.232 56.193 56.100 -0.233 0.000 1.036 431 R CB 0.470 30.807 30.300 0.061 0.000 0.966 431 R HN 0.474 nan 8.270 nan 0.000 0.432 432 M N 3.094 122.610 119.600 -0.139 0.000 2.268 432 M HA 0.011 4.491 4.480 -0.000 0.000 0.349 432 M C 0.027 176.300 176.300 -0.045 0.000 1.485 432 M CA 0.559 55.812 55.300 -0.080 0.000 1.094 432 M CB 0.956 33.535 32.600 -0.035 0.000 1.843 432 M HN 0.593 nan 8.290 nan 0.000 0.460 433 S N 2.625 118.288 115.700 -0.063 0.000 2.475 433 S HA 0.106 4.576 4.470 -0.000 0.000 0.281 433 S C 1.251 175.827 174.600 -0.040 0.000 1.198 433 S CA -0.482 57.700 58.200 -0.030 0.000 1.063 433 S CB 0.388 63.567 63.200 -0.034 0.000 0.972 433 S HN 0.759 nan 8.310 nan 0.000 0.486 434 H N 3.558 122.585 119.070 -0.072 0.000 2.489 434 H HA -0.109 4.447 4.556 -0.000 0.000 0.295 434 H C 0.562 175.928 175.328 0.063 0.000 1.082 434 H CA 1.887 57.890 56.048 -0.074 0.000 1.295 434 H CB 0.222 29.982 29.762 -0.004 0.000 1.380 434 H HN 0.679 nan 8.280 nan 0.000 0.548 435 D N 0.571 120.994 120.400 0.038 0.000 2.263 435 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 435 D C 0.837 177.114 176.300 -0.039 0.000 0.971 435 D CA 0.350 54.357 54.000 0.012 0.000 0.867 435 D CB -0.065 40.746 40.800 0.018 0.000 0.929 435 D HN 0.379 nan 8.370 nan 0.000 0.492 436 I N 2.447 122.960 120.570 -0.095 0.000 2.668 436 I HA 0.005 4.175 4.170 -0.000 0.000 0.285 436 I C -2.047 174.058 176.117 -0.021 0.000 1.168 436 I CA -1.424 59.777 61.300 -0.165 0.000 1.424 436 I CB 0.217 37.977 38.000 -0.399 0.000 1.377 436 I HN -0.259 nan 8.210 nan 0.000 0.560 437 P HA 0.046 nan 4.420 nan 0.000 0.264 437 P C -0.797 176.513 177.300 0.017 0.000 1.193 437 P CA 0.611 63.682 63.100 -0.048 0.000 0.763 437 P CB 0.359 32.028 31.700 -0.052 0.000 0.810 438 H N 0.442 119.448 119.070 -0.108 0.000 3.016 438 H HA 0.605 5.160 4.556 -0.000 0.000 0.362 438 H C -0.227 175.023 175.328 -0.129 0.000 1.233 438 H CA -1.190 54.800 56.048 -0.097 0.000 1.124 438 H CB 0.703 30.370 29.762 -0.157 0.000 1.850 438 H HN 0.468 nan 8.280 nan 0.000 0.549 439 G N -0.059 108.736 108.800 -0.010 0.000 2.580 439 G HA2 0.418 4.378 3.960 -0.000 0.000 0.278 439 G HA3 0.418 4.378 3.960 -0.000 0.000 0.278 439 G C -1.159 173.626 174.900 -0.191 0.000 1.212 439 G CA -0.371 44.694 45.100 -0.058 0.000 0.939 439 G HN 0.680 nan 8.290 nan 0.000 0.513 440 H N -0.666 118.394 119.070 -0.016 0.000 2.717 440 H HA 0.606 5.162 4.556 -0.000 0.000 0.366 440 H C -0.208 174.965 175.328 -0.258 0.000 1.132 440 H CA -0.743 55.283 56.048 -0.037 0.000 1.180 440 H CB 1.886 31.653 29.762 0.008 0.000 1.678 440 H HN 0.248 nan 8.280 nan 0.000 0.537 441 R N 1.873 122.187 120.500 -0.311 0.000 2.686 441 R HA 0.443 4.783 4.340 -0.000 0.000 0.286 441 R C -1.436 174.610 176.300 -0.424 0.000 0.969 441 R CA -1.193 54.510 56.100 -0.663 0.000 0.898 441 R CB 2.694 32.032 30.300 -1.603 0.000 1.183 441 R HN 0.446 nan 8.270 nan 0.000 0.456 442 L N 3.455 124.485 121.223 -0.322 0.000 2.325 442 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 442 L C -1.153 175.609 176.870 -0.180 0.000 1.004 442 L CA -0.532 54.140 54.840 -0.280 0.000 0.823 442 L CB 1.204 43.046 42.059 -0.362 0.000 1.236 442 L HN 0.412 nan 8.230 nan 0.000 0.415 443 I N 6.679 127.140 120.570 -0.182 0.000 2.382 443 I HA 0.374 4.544 4.170 -0.000 0.000 0.286 443 I C -0.145 175.990 176.117 0.030 0.000 1.002 443 I CA -0.756 60.547 61.300 0.005 0.000 1.135 443 I CB 1.315 39.355 38.000 0.067 0.000 1.288 443 I HN 0.211 nan 8.210 nan 0.000 0.448 444 V N 6.908 126.856 119.914 0.055 0.000 2.481 444 V HA 0.362 4.482 4.120 -0.000 0.000 0.286 444 V C -0.044 176.003 176.094 -0.079 0.000 1.042 444 V CA -0.598 61.673 62.300 -0.049 0.000 0.928 444 V CB 1.993 33.769 31.823 -0.078 0.000 0.986 444 V HN 0.345 nan 8.190 nan 0.000 0.462 445 L N 5.311 126.440 121.223 -0.156 0.000 2.280 445 L HA 0.512 4.851 4.340 -0.000 0.000 0.287 445 L C 0.556 177.207 176.870 -0.365 0.000 1.023 445 L CA 0.141 54.844 54.840 -0.229 0.000 0.819 445 L CB 1.523 43.483 42.059 -0.165 0.000 1.212 445 L HN 0.857 nan 8.230 nan 0.000 0.420 446 T N 1.827 116.095 114.554 -0.477 0.000 2.928 446 T HA 0.677 5.026 4.350 -0.000 0.000 0.284 446 T C -2.602 171.941 174.700 -0.262 0.000 1.008 446 T CA -2.090 59.673 62.100 -0.561 0.000 1.057 446 T CB 1.494 69.831 68.868 -0.884 0.000 1.018 446 T HN 0.297 nan 8.240 nan 0.000 0.493 447 P HA 0.213 nan 4.420 nan 0.000 0.269 447 P C -2.137 175.162 177.300 -0.001 0.000 1.209 447 P CA -1.455 61.629 63.100 -0.027 0.000 0.776 447 P CB 0.084 31.803 31.700 0.032 0.000 0.876 448 P HA -0.097 nan 4.420 nan 0.000 0.218 448 P C 1.353 178.668 177.300 0.024 0.000 1.148 448 P CA 1.728 64.841 63.100 0.021 0.000 0.822 448 P CB -0.324 31.391 31.700 0.025 0.000 0.784 449 G N -1.241 107.580 108.800 0.036 0.000 3.262 449 G HA2 0.009 3.969 3.960 -0.000 0.000 0.228 449 G HA3 0.009 3.969 3.960 -0.000 0.000 0.228 449 G C 0.158 175.098 174.900 0.068 0.000 1.197 449 G CA -0.001 45.123 45.100 0.039 0.000 0.819 449 G HN 0.159 nan 8.290 nan 0.000 0.531 450 T N 0.727 115.342 114.554 0.102 0.000 2.926 450 T HA 0.157 4.507 4.350 -0.000 0.000 0.307 450 T C 0.598 175.396 174.700 0.164 0.000 1.059 450 T CA -0.186 62.010 62.100 0.161 0.000 1.122 450 T CB 1.514 70.513 68.868 0.219 0.000 0.972 450 T HN 0.303 nan 8.240 nan 0.000 0.545 451 K N 1.231 121.726 120.400 0.157 0.000 2.484 451 K HA 0.206 4.526 4.320 -0.000 0.000 0.280 451 K C 1.283 177.990 176.600 0.179 0.000 1.013 451 K CA 0.858 57.225 56.287 0.133 0.000 1.029 451 K CB -0.361 32.196 32.500 0.096 0.000 0.902 451 K HN 0.909 nan 8.250 nan 0.000 0.481 452 G N 2.195 111.074 108.800 0.131 0.000 2.195 452 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.246 452 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.246 452 G C 0.562 175.556 174.900 0.157 0.000 0.984 452 G CA 0.593 45.770 45.100 0.129 0.000 0.633 452 G HN 0.796 nan 8.290 nan 0.000 0.525 453 S N 0.102 115.909 115.700 0.178 0.000 2.556 453 S HA 0.437 4.907 4.470 -0.000 0.000 0.216 453 S C 2.036 176.736 174.600 0.167 0.000 0.970 453 S CA 1.253 59.572 58.200 0.198 0.000 0.912 453 S CB 0.280 63.608 63.200 0.214 0.000 0.790 453 S HN 2.298 nan 8.310 nan 0.000 0.504 454 G N 0.892 109.757 108.800 0.107 0.000 2.225 454 G HA2 0.034 3.994 3.960 -0.000 0.000 0.267 454 G HA3 0.034 3.994 3.960 -0.000 0.000 0.267 454 G C 1.097 175.928 174.900 -0.116 0.000 1.024 454 G CA 0.387 45.523 45.100 0.061 0.000 0.784 454 G HN 1.885 nan 8.290 nan 0.000 0.507 455 G N -1.921 106.810 108.800 -0.116 0.000 2.176 455 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.253 455 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.253 455 G C 0.126 174.852 174.900 -0.290 0.000 0.979 455 G CA 0.727 45.694 45.100 -0.221 0.000 0.641 455 G HN 1.307 nan 8.290 nan 0.000 0.530 456 H N 0.991 120.090 119.070 0.049 0.000 2.472 456 H HA 0.438 4.994 4.556 -0.000 0.000 0.338 456 H C -2.287 173.032 175.328 -0.016 0.000 1.133 456 H CA -1.589 54.470 56.048 0.018 0.000 1.216 456 H CB 1.973 31.753 29.762 0.031 0.000 1.497 456 H HN 0.162 nan 8.280 nan 0.000 0.500 457 P HA 0.093 nan 4.420 nan 0.000 0.269 457 P C -0.387 176.878 177.300 -0.059 0.000 1.209 457 P CA 0.045 63.109 63.100 -0.060 0.000 0.776 457 P CB 1.561 33.190 31.700 -0.118 0.000 0.876 458 E N 1.093 121.239 120.200 -0.089 0.000 2.392 458 E HA 0.515 4.865 4.350 -0.000 0.000 0.269 458 E C -0.529 176.049 176.600 -0.036 0.000 0.924 458 E CA -1.036 55.373 56.400 0.013 0.000 0.784 458 E CB 1.823 31.659 29.700 0.227 0.000 1.292 458 E HN 0.371 nan 8.360 nan 0.000 0.447 459 I N 1.710 122.348 120.570 0.113 0.000 2.331 459 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 459 I C -0.976 175.377 176.117 0.393 0.000 0.998 459 I CA -0.345 61.069 61.300 0.190 0.000 1.267 459 I CB 0.560 38.679 38.000 0.199 0.000 1.386 459 I HN 0.261 nan 8.210 nan 0.000 0.476 460 W N 5.458 126.782 121.300 0.039 0.000 2.362 460 W HA 0.395 5.055 4.660 -0.000 0.000 0.316 460 W C 0.051 176.592 176.519 0.038 0.000 1.024 460 W CA -1.045 56.316 57.345 0.028 0.000 1.270 460 W CB 0.757 30.223 29.460 0.011 0.000 1.273 460 W HN 0.405 nan 8.180 nan 0.000 0.424 461 E N 3.318 123.633 120.200 0.192 0.000 2.344 461 E HA 0.209 4.559 4.350 -0.000 0.000 0.270 461 E C 0.083 176.756 176.600 0.121 0.000 1.021 461 E CA 0.132 56.614 56.400 0.137 0.000 0.887 461 E CB 0.661 30.369 29.700 0.013 0.000 0.997 461 E HN 0.068 nan 8.360 nan 0.000 0.429 462 M N 1.869 121.543 119.600 0.123 0.000 2.456 462 M HA 0.540 5.020 4.480 -0.000 0.000 0.324 462 M C -0.548 175.831 176.300 0.132 0.000 1.124 462 M CA -0.876 54.493 55.300 0.115 0.000 0.959 462 M CB 1.603 34.238 32.600 0.058 0.000 1.692 462 M HN 0.460 nan 8.290 nan 0.000 0.444 463 A N 1.759 124.675 122.820 0.160 0.000 2.350 463 A HA 0.611 4.931 4.320 -0.000 0.000 0.324 463 A C -0.355 177.360 177.584 0.219 0.000 1.118 463 A CA -0.648 51.483 52.037 0.158 0.000 0.783 463 A CB 1.232 20.283 19.000 0.085 0.000 1.236 463 A HN 0.857 nan 8.150 nan 0.000 0.457 464 E N 1.013 121.328 120.200 0.191 0.000 2.373 464 E HA 0.459 4.809 4.350 -0.000 0.000 0.263 464 E C -0.729 175.821 176.600 -0.084 0.000 1.073 464 E CA -0.188 56.182 56.400 -0.050 0.000 0.894 464 E CB 0.839 30.467 29.700 -0.120 0.000 1.008 464 E HN 0.433 nan 8.360 nan 0.000 0.420 465 V N 2.464 122.284 119.914 -0.158 0.000 3.103 465 V HA 0.468 4.588 4.120 -0.000 0.000 0.318 465 V C -0.494 175.540 176.094 -0.100 0.000 1.114 465 V CA -0.710 61.534 62.300 -0.094 0.000 1.020 465 V CB 1.932 33.712 31.823 -0.071 0.000 1.085 465 V HN 0.767 nan 8.190 nan 0.000 0.446 473 V N 3.536 123.460 119.914 0.017 0.000 2.607 473 V HA 0.779 4.899 4.120 -0.000 0.000 0.289 473 V C -1.910 174.196 176.094 0.020 0.000 1.053 473 V CA -1.265 61.051 62.300 0.026 0.000 0.996 473 V CB 1.092 32.936 31.823 0.034 0.000 0.995 473 V HN 0.653 nan 8.190 nan 0.000 0.476 474 P HA 0.657 nan 4.420 nan 0.000 0.293 474 P C -1.038 176.275 177.300 0.022 0.000 1.300 474 P CA -0.247 62.868 63.100 0.025 0.000 0.792 474 P CB 1.533 33.242 31.700 0.015 0.000 0.925 475 A N 1.698 124.538 122.820 0.033 0.000 2.498 475 A HA 0.408 4.728 4.320 -0.000 0.000 0.298 475 A C -0.288 177.322 177.584 0.044 0.000 1.075 475 A CA -0.842 51.212 52.037 0.028 0.000 0.714 475 A CB 1.167 20.180 19.000 0.022 0.000 1.299 475 A HN 0.615 nan 8.150 nan 0.000 0.407 476 E N 0.317 120.535 120.200 0.031 0.000 2.465 476 E HA 0.316 4.666 4.350 -0.000 0.000 0.260 476 E C 1.221 177.842 176.600 0.034 0.000 0.980 476 E CA 1.408 57.834 56.400 0.044 0.000 0.927 476 E CB 0.125 29.839 29.700 0.022 0.000 0.934 476 E HN 1.806 nan 8.360 nan 0.000 0.459 477 G N 2.729 111.573 108.800 0.073 0.000 2.179 477 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 477 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 477 G C -0.069 174.898 174.900 0.111 0.000 0.977 477 G CA 0.174 45.256 45.100 -0.030 0.000 0.641 477 G HN 0.493 nan 8.290 nan 0.000 0.533 478 V N 1.428 121.449 119.914 0.179 0.000 2.384 478 V HA 0.704 4.824 4.120 -0.000 0.000 0.287 478 V C 0.268 176.516 176.094 0.255 0.000 1.020 478 V CA -0.589 61.818 62.300 0.177 0.000 0.850 478 V CB 1.678 33.562 31.823 0.102 0.000 0.987 478 V HN 0.296 nan 8.190 nan 0.000 0.436 479 I N 4.719 125.462 120.570 0.287 0.000 2.447 479 I HA 0.438 4.608 4.170 -0.000 0.000 0.287 479 I C -0.220 176.072 176.117 0.292 0.000 1.023 479 I CA -0.379 61.108 61.300 0.312 0.000 1.083 479 I CB 2.057 40.250 38.000 0.321 0.000 1.245 479 I HN 0.577 nan 8.210 nan 0.000 0.434 480 Q N 4.434 124.370 119.800 0.228 0.000 2.226 480 Q HA 0.764 5.104 4.340 -0.000 0.000 0.256 480 Q C -1.238 174.889 176.000 0.212 0.000 0.962 480 Q CA -0.860 55.064 55.803 0.202 0.000 0.887 480 Q CB 3.239 32.050 28.738 0.122 0.000 1.282 480 Q HN 0.381 nan 8.270 nan 0.000 0.449 481 V N 1.187 121.240 119.914 0.232 0.000 2.668 481 V HA 0.316 4.435 4.120 -0.000 0.000 0.304 481 V C -0.816 175.396 176.094 0.197 0.000 1.071 481 V CA -0.736 61.699 62.300 0.224 0.000 0.894 481 V CB 2.329 34.292 31.823 0.232 0.000 1.008 481 V HN 0.785 nan 8.190 nan 0.000 0.425 482 T N 4.053 118.715 114.554 0.180 0.000 2.749 482 T HA 0.559 4.909 4.350 -0.000 0.000 0.287 482 T C 0.647 175.432 174.700 0.141 0.000 0.970 482 T CA 0.078 62.257 62.100 0.131 0.000 0.980 482 T CB 1.440 70.366 68.868 0.097 0.000 0.924 482 T HN 0.932 nan 8.240 nan 0.000 0.456 483 G N 1.377 110.246 108.800 0.116 0.000 2.516 483 G HA2 0.461 4.420 3.960 -0.000 0.000 0.276 483 G HA3 0.461 4.420 3.960 -0.000 0.000 0.276 483 G C 1.291 176.213 174.900 0.037 0.000 1.390 483 G CA -0.118 45.041 45.100 0.099 0.000 1.050 483 G HN 0.769 nan 8.290 nan 0.000 0.519 484 A N -0.283 122.547 122.820 0.016 0.000 1.930 484 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 484 A C 1.878 179.461 177.584 -0.001 0.000 1.175 484 A CA 2.245 54.275 52.037 -0.013 0.000 0.627 484 A CB -0.497 18.494 19.000 -0.016 0.000 0.815 484 A HN 0.630 nan 8.150 nan 0.000 0.443 485 D N -2.205 118.202 120.400 0.012 0.000 2.363 485 D HA 0.276 4.916 4.640 -0.000 0.000 0.226 485 D C 1.198 177.507 176.300 0.015 0.000 1.020 485 D CA 1.027 55.034 54.000 0.012 0.000 0.892 485 D CB -0.503 40.306 40.800 0.015 0.000 0.900 485 D HN 0.741 nan 8.370 nan 0.000 0.531 486 G N -0.043 108.769 108.800 0.019 0.000 2.253 486 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.251 486 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.251 486 G C 0.476 175.393 174.900 0.027 0.000 0.998 486 G CA 0.080 45.192 45.100 0.021 0.000 0.621 486 G HN 0.556 nan 8.290 nan 0.000 0.524 487 R N 0.721 121.238 120.500 0.029 0.000 2.531 487 R HA 0.570 4.910 4.340 -0.000 0.000 0.273 487 R C -0.347 175.978 176.300 0.042 0.000 1.070 487 R CA 0.264 56.381 56.100 0.028 0.000 1.112 487 R CB 0.578 30.889 30.300 0.018 0.000 1.049 487 R HN 0.132 nan 8.270 nan 0.000 0.508 488 T N 3.508 118.082 114.554 0.034 0.000 2.794 488 T HA 0.343 4.692 4.350 -0.000 0.000 0.280 488 T C -0.655 174.054 174.700 0.014 0.000 0.987 488 T CA -0.647 61.481 62.100 0.046 0.000 0.993 488 T CB 1.119 70.014 68.868 0.046 0.000 0.939 488 T HN 0.381 nan 8.240 nan 0.000 0.449 489 K N 1.698 122.111 120.400 0.022 0.000 2.221 489 K HA 0.677 4.996 4.320 -0.000 0.000 0.243 489 K C -0.516 175.965 176.600 -0.198 0.000 0.968 489 K CA -0.891 55.323 56.287 -0.120 0.000 0.846 489 K CB 1.769 34.176 32.500 -0.154 0.000 1.141 489 K HN 0.400 nan 8.250 nan 0.000 0.434 490 T N 1.721 116.039 114.554 -0.394 0.000 2.807 490 T HA 0.465 4.815 4.350 -0.000 0.000 0.279 490 T C -1.301 173.114 174.700 -0.475 0.000 0.993 490 T CA -0.590 61.351 62.100 -0.264 0.000 0.970 490 T CB 0.293 69.089 68.868 -0.119 0.000 0.950 490 T HN 0.304 nan 8.240 nan 0.000 0.441 491 Y N 1.014 121.343 120.300 0.048 0.000 2.477 491 Y HA 0.624 5.174 4.550 -0.000 0.000 0.347 491 Y C 0.316 176.251 175.900 0.059 0.000 0.981 491 Y CA -1.234 56.894 58.100 0.047 0.000 1.033 491 Y CB 1.791 40.282 38.460 0.052 0.000 1.245 491 Y HN 0.375 nan 8.280 nan 0.000 0.455 492 R N 2.488 123.100 120.500 0.188 0.000 2.589 492 R HA 0.481 4.821 4.340 -0.000 0.000 0.293 492 R C -0.676 175.669 176.300 0.075 0.000 0.963 492 R CA -0.994 55.169 56.100 0.105 0.000 0.905 492 R CB 1.409 31.736 30.300 0.045 0.000 1.144 492 R HN 0.868 nan 8.270 nan 0.000 0.459 493 R N 1.928 122.421 120.500 -0.012 0.000 2.347 493 R HA 0.058 4.397 4.340 -0.000 0.000 0.304 493 R C 0.229 176.449 176.300 -0.133 0.000 1.072 493 R CA 0.476 56.501 56.100 -0.126 0.000 0.980 493 R CB 0.702 30.706 30.300 -0.492 0.000 0.986 493 R HN 0.836 nan 8.270 nan 0.000 0.448 494 T N 0.376 114.881 114.554 -0.083 0.000 2.985 494 T HA 0.388 4.738 4.350 -0.000 0.000 0.254 494 T C 0.194 174.836 174.700 -0.096 0.000 1.021 494 T CA 0.152 62.212 62.100 -0.068 0.000 0.957 494 T CB 0.659 69.522 68.868 -0.009 0.000 1.047 494 T HN 0.545 nan 8.240 nan 0.000 0.511 495 A N 1.581 124.326 122.820 -0.124 0.000 2.589 495 A HA 0.734 5.054 4.320 -0.000 0.000 0.296 495 A C 0.248 177.753 177.584 -0.132 0.000 1.062 495 A CA -0.967 50.999 52.037 -0.118 0.000 0.686 495 A CB 1.244 20.188 19.000 -0.093 0.000 1.282 495 A HN 0.317 nan 8.150 nan 0.000 0.404 496 R N -0.061 120.381 120.500 -0.097 0.000 2.544 496 R HA 0.391 4.730 4.340 -0.000 0.000 0.303 496 R C 0.095 176.468 176.300 0.120 0.000 0.939 496 R CA 0.709 56.808 56.100 -0.003 0.000 1.102 496 R CB 0.882 31.105 30.300 -0.127 0.000 1.440 496 R HN 0.662 nan 8.270 nan 0.000 0.532 497 T N -0.969 113.620 114.554 0.057 0.000 2.821 497 T HA 0.215 4.564 4.350 -0.000 0.000 0.306 497 T C -0.477 174.264 174.700 0.069 0.000 1.313 497 T CA -0.791 61.361 62.100 0.086 0.000 1.012 497 T CB 1.254 70.175 68.868 0.088 0.000 1.298 497 T HN 0.121 nan 8.240 nan 0.000 0.502 498 F N 2.532 122.458 119.950 -0.039 0.000 2.120 498 F HA -0.009 4.517 4.527 -0.000 0.000 0.300 498 F C 1.631 177.418 175.800 -0.022 0.000 1.095 498 F CA 1.712 59.677 58.000 -0.059 0.000 1.249 498 F CB 0.148 39.098 39.000 -0.083 0.000 0.995 498 F HN 0.465 nan 8.300 nan 0.000 0.480 499 N N 0.909 119.490 118.700 -0.199 0.000 2.314 499 N HA -0.007 4.733 4.740 -0.000 0.000 0.200 499 N C -0.579 174.822 175.510 -0.182 0.000 1.135 499 N CA 0.176 53.049 53.050 -0.294 0.000 0.835 499 N CB -0.534 37.900 38.487 -0.087 0.000 0.989 499 N HN 0.309 nan 8.380 nan 0.000 0.478 500 D N -0.005 120.308 120.400 -0.145 0.000 2.368 500 D HA 0.102 4.742 4.640 -0.000 0.000 0.240 500 D C 1.109 177.329 176.300 -0.132 0.000 1.169 500 D CA 0.142 54.075 54.000 -0.112 0.000 0.906 500 D CB 0.494 41.239 40.800 -0.092 0.000 1.187 500 D HN 0.079 nan 8.370 nan 0.000 0.435 501 G N 0.301 109.044 108.800 -0.095 0.000 2.464 501 G HA2 0.102 4.061 3.960 -0.000 0.000 0.231 501 G HA3 0.102 4.061 3.960 -0.000 0.000 0.231 501 G C 0.155 175.005 174.900 -0.083 0.000 1.267 501 G CA -0.373 44.679 45.100 -0.080 0.000 0.863 501 G HN 0.428 nan 8.290 nan 0.000 0.559 502 L N 2.556 123.739 121.223 -0.066 0.000 2.559 502 L HA 0.409 4.748 4.340 -0.000 0.000 0.282 502 L C 1.322 178.181 176.870 -0.018 0.000 1.232 502 L CA 1.509 56.325 54.840 -0.040 0.000 0.885 502 L CB 0.863 42.919 42.059 -0.004 0.000 1.131 502 L HN 0.505 nan 8.230 nan 0.000 0.498 503 G N 3.979 112.756 108.800 -0.040 0.000 2.763 503 G HA2 0.079 4.039 3.960 -0.000 0.000 0.205 503 G HA3 0.079 4.039 3.960 -0.000 0.000 0.205 503 G C -0.086 174.982 174.900 0.280 0.000 1.137 503 G CA -0.189 44.927 45.100 0.026 0.000 0.839 503 G HN 0.427 nan 8.290 nan 0.000 0.596 504 F N 2.427 122.431 119.950 0.090 0.000 2.404 504 F HA 0.587 5.113 4.527 -0.000 0.000 0.358 504 F C 0.023 175.908 175.800 0.141 0.000 1.120 504 F CA -1.279 56.759 58.000 0.063 0.000 1.144 504 F CB 0.976 39.982 39.000 0.010 0.000 1.133 504 F HN -0.263 nan 8.300 nan 0.000 0.495 505 T N 5.550 120.261 114.554 0.262 0.000 2.812 505 T HA 0.716 5.066 4.350 -0.000 0.000 0.282 505 T C -0.264 174.512 174.700 0.127 0.000 0.990 505 T CA -0.410 61.808 62.100 0.197 0.000 0.960 505 T CB 1.212 70.161 68.868 0.134 0.000 0.948 505 T HN 0.294 nan 8.240 nan 0.000 0.438 506 I N 1.968 122.621 120.570 0.139 0.000 2.499 506 I HA 0.457 4.627 4.170 -0.000 0.000 0.288 506 I C 0.780 176.964 176.117 0.113 0.000 1.048 506 I CA -1.086 60.247 61.300 0.055 0.000 1.062 506 I CB 2.010 39.947 38.000 -0.106 0.000 1.238 506 I HN 0.727 nan 8.210 nan 0.000 0.426 507 G N 4.657 113.514 108.800 0.095 0.000 2.354 507 G HA2 0.076 4.036 3.960 -0.000 0.000 0.266 507 G HA3 0.076 4.036 3.960 -0.000 0.000 0.266 507 G C 0.028 175.028 174.900 0.166 0.000 1.242 507 G CA -0.197 44.983 45.100 0.132 0.000 0.923 507 G HN 0.654 nan 8.290 nan 0.000 0.476 508 E N 1.476 121.815 120.200 0.230 0.000 2.502 508 E HA 0.153 4.503 4.350 -0.000 0.000 0.261 508 E C 1.440 178.128 176.600 0.148 0.000 0.974 508 E CA 1.518 58.045 56.400 0.212 0.000 0.936 508 E CB 0.510 30.378 29.700 0.279 0.000 0.926 508 E HN 1.063 nan 8.360 nan 0.000 0.459 509 G N 3.202 112.057 108.800 0.093 0.000 2.217 509 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 509 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 509 G C 0.497 175.433 174.900 0.061 0.000 0.990 509 G CA 0.663 45.796 45.100 0.054 0.000 0.627 509 G HN 0.821 nan 8.290 nan 0.000 0.522 510 T N -1.300 113.316 114.554 0.103 0.000 2.849 510 T HA 0.626 4.976 4.350 -0.000 0.000 0.284 510 T C 0.004 174.776 174.700 0.120 0.000 1.004 510 T CA -0.106 62.080 62.100 0.145 0.000 1.021 510 T CB 1.655 70.604 68.868 0.135 0.000 1.013 510 T HN 0.364 nan 8.240 nan 0.000 0.527 511 H N -0.327 118.814 119.070 0.118 0.000 2.499 511 H HA 0.671 5.227 4.556 -0.000 0.000 0.340 511 H C -0.123 175.315 175.328 0.184 0.000 1.148 511 H CA -0.623 55.501 56.048 0.127 0.000 1.215 511 H CB 1.207 31.000 29.762 0.050 0.000 1.529 511 H HN 0.692 nan 8.280 nan 0.000 0.510 512 E N 1.083 121.494 120.200 0.353 0.000 2.331 512 E HA 0.157 4.506 4.350 -0.000 0.000 0.275 512 E C -1.152 175.619 176.600 0.285 0.000 0.895 512 E CA -0.900 55.698 56.400 0.330 0.000 0.753 512 E CB 2.897 32.882 29.700 0.474 0.000 1.216 512 E HN 0.471 nan 8.360 nan 0.000 0.434 513 Q N 2.868 122.762 119.800 0.157 0.000 2.314 513 Q HA 0.247 4.587 4.340 -0.000 0.000 0.259 513 Q C -1.502 174.664 176.000 0.276 0.000 0.951 513 Q CA -0.690 55.197 55.803 0.140 0.000 0.909 513 Q CB 0.766 29.520 28.738 0.026 0.000 1.236 513 Q HN 0.363 nan 8.270 nan 0.000 0.444 514 W N 2.394 123.571 121.300 -0.205 0.000 2.478 514 W HA 0.374 5.034 4.660 -0.000 0.000 0.318 514 W C -0.395 175.836 176.519 -0.480 0.000 1.062 514 W CA -0.644 56.447 57.345 -0.423 0.000 1.210 514 W CB 1.895 30.974 29.460 -0.634 0.000 1.325 514 W HN 0.394 nan 8.180 nan 0.000 0.496 515 T N 4.265 118.653 114.554 -0.276 0.000 2.771 515 T HA 0.447 4.797 4.350 -0.000 0.000 0.281 515 T C -0.846 173.599 174.700 -0.425 0.000 0.982 515 T CA -0.429 61.516 62.100 -0.258 0.000 0.978 515 T CB 0.223 69.010 68.868 -0.135 0.000 0.930 515 T HN -0.026 nan 8.240 nan 0.000 0.447 516 F N 3.287 123.233 119.950 -0.007 0.000 2.350 516 F HA 0.413 4.940 4.527 -0.000 0.000 0.365 516 F C 0.138 175.906 175.800 -0.054 0.000 1.122 516 F CA -1.047 56.954 58.000 0.001 0.000 1.139 516 F CB 0.719 39.753 39.000 0.057 0.000 1.220 516 F HN 0.273 nan 8.300 nan 0.000 0.499 517 L N 5.316 126.538 121.223 -0.003 0.000 2.287 517 L HA 0.385 4.724 4.340 -0.000 0.000 0.280 517 L C -0.347 176.452 176.870 -0.118 0.000 1.055 517 L CA -0.278 54.474 54.840 -0.147 0.000 0.863 517 L CB -0.042 41.828 42.059 -0.314 0.000 1.245 517 L HN 0.411 nan 8.230 nan 0.000 0.432 518 N N 4.550 123.220 118.700 -0.049 0.000 2.408 518 N HA 0.179 4.919 4.740 -0.000 0.000 0.257 518 N C 0.330 175.782 175.510 -0.097 0.000 1.064 518 N CA -0.009 53.020 53.050 -0.036 0.000 0.952 518 N CB 0.785 39.317 38.487 0.075 0.000 1.093 518 N HN 0.719 nan 8.380 nan 0.000 0.490 519 L N 1.318 122.425 121.223 -0.192 0.000 2.607 519 L HA 0.162 4.502 4.340 -0.000 0.000 0.228 519 L C 0.882 177.676 176.870 -0.127 0.000 1.123 519 L CA -0.114 54.591 54.840 -0.225 0.000 0.890 519 L CB -0.302 41.458 42.059 -0.497 0.000 1.103 519 L HN 0.459 nan 8.230 nan 0.000 0.468 520 S N -0.948 114.715 115.700 -0.062 0.000 2.766 520 S HA 0.543 5.013 4.470 -0.000 0.000 0.307 520 S C -2.248 172.372 174.600 0.033 0.000 1.121 520 S CA -1.175 57.023 58.200 -0.004 0.000 0.980 520 S CB 1.715 64.931 63.200 0.025 0.000 1.159 520 S HN -0.172 nan 8.310 nan 0.000 0.546 521 P HA 0.388 nan 4.420 nan 0.000 0.268 521 P C -0.311 177.005 177.300 0.028 0.000 1.329 521 P CA -0.025 63.096 63.100 0.034 0.000 0.899 521 P CB -0.142 31.574 31.700 0.026 0.000 1.378 522 I N 1.243 121.835 120.570 0.035 0.000 2.342 522 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 522 I C 0.785 176.856 176.117 -0.077 0.000 1.010 522 I CA -0.933 60.354 61.300 -0.022 0.000 1.308 522 I CB 1.392 39.383 38.000 -0.014 0.000 1.400 522 I HN -0.130 nan 8.210 nan 0.000 0.488 523 L N 7.380 128.546 121.223 -0.095 0.000 2.361 523 L HA 0.223 4.563 4.340 -0.000 0.000 0.278 523 L C -0.491 176.270 176.870 -0.182 0.000 1.113 523 L CA -0.117 54.693 54.840 -0.050 0.000 0.849 523 L CB -0.046 42.014 42.059 0.001 0.000 1.155 523 L HN 0.561 nan 8.230 nan 0.000 0.452 524 H N 5.668 124.800 119.070 0.103 0.000 2.551 524 H HA 0.330 4.886 4.556 -0.000 0.000 0.321 524 H C -2.329 173.051 175.328 0.087 0.000 1.028 524 H CA -2.074 54.045 56.048 0.119 0.000 1.215 524 H CB 1.453 31.281 29.762 0.111 0.000 1.414 524 H HN 0.441 nan 8.280 nan 0.000 0.480 525 P HA 0.078 nan 4.420 nan 0.000 0.279 525 P C -0.024 177.358 177.300 0.137 0.000 1.318 525 P CA -0.346 62.838 63.100 0.140 0.000 0.819 525 P CB 0.334 32.111 31.700 0.128 0.000 0.927 526 M N 3.420 123.041 119.600 0.035 0.000 2.216 526 M HA 0.270 4.750 4.480 -0.000 0.000 0.356 526 M C 0.150 176.445 176.300 -0.008 0.000 1.205 526 M CA -0.181 55.084 55.300 -0.057 0.000 1.122 526 M CB 0.028 32.296 32.600 -0.552 0.000 1.571 526 M HN 0.442 nan 8.290 nan 0.000 0.464 527 H N 2.621 121.655 119.070 -0.061 0.000 2.679 527 H HA 0.708 5.264 4.556 -0.000 0.000 0.360 527 H C -1.772 173.647 175.328 0.152 0.000 1.105 527 H CA -0.606 55.411 56.048 -0.052 0.000 1.196 527 H CB 1.151 30.926 29.762 0.022 0.000 1.636 527 H HN 0.684 nan 8.280 nan 0.000 0.531 528 I N 5.239 125.560 120.570 -0.415 0.000 2.418 528 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 528 I C 0.314 176.343 176.117 -0.147 0.000 1.008 528 I CA -0.696 60.550 61.300 -0.091 0.000 1.104 528 I CB 1.357 39.294 38.000 -0.105 0.000 1.264 528 I HN 0.589 nan 8.210 nan 0.000 0.438 529 H N 4.750 123.803 119.070 -0.027 0.000 2.822 529 H HA 0.095 4.651 4.556 -0.000 0.000 0.373 529 H C 0.883 176.260 175.328 0.083 0.000 1.223 529 H CA -0.104 55.997 56.048 0.088 0.000 1.436 529 H CB 1.145 31.073 29.762 0.276 0.000 1.439 529 H HN 0.673 nan 8.280 nan 0.000 0.618 530 L N -0.238 120.982 121.223 -0.004 0.000 3.153 530 L HA -0.321 4.019 4.340 -0.000 0.000 0.369 530 L C 0.093 176.842 176.870 -0.201 0.000 3.110 530 L CA 2.273 56.956 54.840 -0.262 0.000 2.423 530 L CB -1.549 40.067 42.059 -0.738 0.000 2.474 530 L HN 0.727 nan 8.230 nan 0.000 0.797 531 A N -0.280 122.412 122.820 -0.213 0.000 2.264 531 A HA 0.602 4.922 4.320 -0.000 0.000 0.304 531 A C -0.452 176.929 177.584 -0.338 0.000 1.100 531 A CA 0.278 52.004 52.037 -0.519 0.000 0.839 531 A CB 0.236 18.427 19.000 -1.349 0.000 1.121 531 A HN 0.492 nan 8.150 nan 0.000 0.496 532 D N -0.606 119.540 120.400 -0.423 0.000 2.181 532 D HA 0.629 5.269 4.640 -0.000 0.000 0.248 532 D C -1.000 175.003 176.300 -0.495 0.000 1.020 532 D CA 0.433 54.341 54.000 -0.153 0.000 0.891 532 D CB 1.078 41.903 40.800 0.042 0.000 1.187 532 D HN 0.338 nan 8.370 nan 0.000 0.443 533 F N 0.150 120.173 119.950 0.122 0.000 2.629 533 F HA 0.427 4.954 4.527 -0.000 0.000 0.316 533 F C -0.060 175.837 175.800 0.162 0.000 1.081 533 F CA -0.896 57.155 58.000 0.084 0.000 0.954 533 F CB 1.752 40.833 39.000 0.135 0.000 1.337 533 F HN 0.059 nan 8.300 nan 0.000 0.474 534 Q N 0.748 120.715 119.800 0.278 0.000 2.365 534 Q HA 0.585 4.924 4.340 -0.000 0.000 0.269 534 Q C -1.375 174.699 176.000 0.122 0.000 1.061 534 Q CA -1.159 54.762 55.803 0.197 0.000 0.816 534 Q CB 3.052 31.862 28.738 0.121 0.000 1.325 534 Q HN 0.364 nan 8.270 nan 0.000 0.446 535 V N 4.157 124.136 119.914 0.107 0.000 2.427 535 V HA 0.024 4.144 4.120 -0.000 0.000 0.268 535 V C 0.953 177.074 176.094 0.045 0.000 1.046 535 V CA 0.414 62.737 62.300 0.038 0.000 0.970 535 V CB 0.385 32.252 31.823 0.073 0.000 1.001 535 V HN 0.769 nan 8.190 nan 0.000 0.476 536 L N 4.093 125.329 121.223 0.021 0.000 2.298 536 L HA 0.470 4.810 4.340 -0.000 0.000 0.209 536 L C 1.072 177.953 176.870 0.019 0.000 1.084 536 L CA 0.895 55.749 54.840 0.024 0.000 0.816 536 L CB 0.060 42.129 42.059 0.016 0.000 0.967 536 L HN 0.817 nan 8.230 nan 0.000 0.460 537 G N -0.143 108.670 108.800 0.021 0.000 2.442 537 G HA2 0.497 4.457 3.960 -0.000 0.000 0.296 537 G HA3 0.497 4.457 3.960 -0.000 0.000 0.296 537 G C -1.567 173.361 174.900 0.047 0.000 1.564 537 G CA -0.794 44.322 45.100 0.028 0.000 0.828 537 G HN -0.099 nan 8.290 nan 0.000 0.571 538 R N 0.609 121.141 120.500 0.055 0.000 2.686 538 R HA 0.633 4.973 4.340 -0.000 0.000 0.286 538 R C -1.565 174.775 176.300 0.066 0.000 0.969 538 R CA -0.959 55.189 56.100 0.079 0.000 0.898 538 R CB 2.702 33.050 30.300 0.080 0.000 1.183 538 R HN 0.503 nan 8.270 nan 0.000 0.456 539 D N 0.844 121.305 120.400 0.100 0.000 2.732 539 D HA 0.364 5.004 4.640 -0.000 0.000 0.229 539 D C -0.933 175.390 176.300 0.038 0.000 1.152 539 D CA -0.561 53.447 54.000 0.013 0.000 0.854 539 D CB 2.467 43.228 40.800 -0.064 0.000 1.590 539 D HN 0.547 nan 8.370 nan 0.000 0.468 540 A N 1.831 124.614 122.820 -0.061 0.000 2.327 540 A HA 0.576 4.896 4.320 -0.000 0.000 0.283 540 A C -1.299 176.184 177.584 -0.167 0.000 1.127 540 A CA -0.171 51.863 52.037 -0.004 0.000 0.810 540 A CB 0.397 19.397 19.000 -0.001 0.000 1.066 540 A HN 0.509 nan 8.150 nan 0.000 0.492 541 Y N -0.042 120.271 120.300 0.022 0.000 2.524 541 Y HA 0.399 4.949 4.550 -0.000 0.000 0.344 541 Y C -0.096 175.819 175.900 0.025 0.000 1.012 541 Y CA -0.611 57.502 58.100 0.022 0.000 1.068 541 Y CB 1.937 40.408 38.460 0.017 0.000 1.249 541 Y HN 0.741 nan 8.280 nan 0.000 0.468 542 D N 1.494 121.991 120.400 0.162 0.000 2.313 542 D HA 0.401 5.040 4.640 -0.000 0.000 0.239 542 D C -0.178 176.215 176.300 0.156 0.000 1.142 542 D CA -0.064 54.012 54.000 0.126 0.000 0.847 542 D CB 1.374 42.224 40.800 0.083 0.000 1.082 542 D HN 0.634 nan 8.370 nan 0.000 0.480 543 A N 2.933 125.830 122.820 0.129 0.000 2.500 543 A HA 0.137 4.456 4.320 -0.000 0.000 0.267 543 A C 1.689 179.357 177.584 0.140 0.000 1.290 543 A CA 0.238 52.347 52.037 0.120 0.000 0.928 543 A CB -0.291 18.746 19.000 0.062 0.000 1.066 543 A HN 0.523 nan 8.150 nan 0.000 0.516 544 S N -0.832 114.937 115.700 0.116 0.000 2.423 544 S HA -0.045 4.424 4.470 -0.000 0.000 0.231 544 S C 1.865 176.531 174.600 0.111 0.000 1.014 544 S CA 1.164 59.426 58.200 0.103 0.000 0.965 544 S CB -0.696 62.548 63.200 0.073 0.000 0.785 544 S HN 0.637 nan 8.310 nan 0.000 0.495 545 G N 0.565 109.440 108.800 0.124 0.000 2.498 545 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.219 545 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.219 545 G C 0.228 175.214 174.900 0.142 0.000 1.119 545 G CA -0.095 45.075 45.100 0.117 0.000 0.766 545 G HN 0.560 nan 8.290 nan 0.000 0.552 546 F N 1.631 121.602 119.950 0.033 0.000 2.467 546 F HA 0.346 4.873 4.527 -0.000 0.000 0.362 546 F C -0.308 175.506 175.800 0.023 0.000 1.090 546 F CA -1.074 56.941 58.000 0.025 0.000 1.202 546 F CB 0.986 39.983 39.000 -0.005 0.000 1.113 546 F HN -0.090 nan 8.300 nan 0.000 0.541 547 D N 7.246 127.243 120.400 -0.671 0.000 2.453 547 D HA 0.165 4.805 4.640 -0.000 0.000 0.238 547 D C 0.817 176.767 176.300 -0.584 0.000 1.088 547 D CA -0.325 53.417 54.000 -0.429 0.000 0.854 547 D CB 1.021 41.682 40.800 -0.232 0.000 1.076 547 D HN 0.646 nan 8.370 nan 0.000 0.533 548 L N 2.578 123.597 121.223 -0.339 0.000 2.141 548 L HA -0.035 4.304 4.340 -0.000 0.000 0.209 548 L C 2.305 179.112 176.870 -0.105 0.000 1.094 548 L CA 0.921 55.643 54.840 -0.196 0.000 0.763 548 L CB -0.559 41.503 42.059 0.005 0.000 0.908 548 L HN 0.366 nan 8.230 nan 0.000 0.437 549 A N 0.368 123.132 122.820 -0.092 0.000 1.969 549 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 549 A C 2.238 179.796 177.584 -0.044 0.000 1.169 549 A CA 1.354 53.364 52.037 -0.044 0.000 0.635 549 A CB -0.343 18.636 19.000 -0.036 0.000 0.810 549 A HN 0.355 nan 8.150 nan 0.000 0.445 550 L N -1.427 119.740 121.223 -0.094 0.000 2.168 550 L HA 0.350 4.689 4.340 -0.000 0.000 0.203 550 L C 1.519 178.371 176.870 -0.030 0.000 1.078 550 L CA 1.983 56.782 54.840 -0.069 0.000 0.780 550 L CB -0.260 41.741 42.059 -0.096 0.000 0.939 550 L HN 0.724 nan 8.230 nan 0.000 0.451 551 G N -1.078 107.662 108.800 -0.100 0.000 2.142 551 G HA2 0.034 3.993 3.960 -0.000 0.000 0.225 551 G HA3 0.034 3.993 3.960 -0.000 0.000 0.225 551 G C 0.360 175.421 174.900 0.269 0.000 1.015 551 G CA 0.176 45.374 45.100 0.163 0.000 0.716 551 G HN 0.994 nan 8.290 nan 0.000 0.508 552 G N -1.617 107.138 108.800 -0.073 0.000 2.608 552 G HA2 0.862 4.821 3.960 -0.000 0.000 0.291 552 G HA3 0.862 4.821 3.960 -0.000 0.000 0.291 552 G C -0.243 174.638 174.900 -0.031 0.000 1.425 552 G CA 0.676 45.856 45.100 0.133 0.000 0.787 552 G HN 1.431 nan 8.290 nan 0.000 0.484 553 T N -1.495 113.158 114.554 0.165 0.000 2.889 553 T HA 0.465 4.815 4.350 -0.000 0.000 0.291 553 T C 1.000 175.735 174.700 0.057 0.000 0.995 553 T CA -0.447 61.731 62.100 0.129 0.000 1.092 553 T CB 2.360 71.352 68.868 0.207 0.000 0.954 553 T HN 0.525 nan 8.240 nan 0.000 0.506 554 R N 0.754 121.273 120.500 0.032 0.000 2.074 554 R HA 0.114 4.454 4.340 -0.000 0.000 0.218 554 R C 1.875 178.201 176.300 0.043 0.000 1.137 554 R CA 1.001 57.117 56.100 0.025 0.000 0.998 554 R CB -0.403 29.900 30.300 0.005 0.000 0.895 554 R HN 0.899 nan 8.270 nan 0.000 0.442 555 T N -0.042 114.545 114.554 0.054 0.000 3.560 555 T HA 0.333 4.683 4.350 -0.000 0.000 0.350 555 T C -2.484 172.268 174.700 0.087 0.000 1.264 555 T CA -1.137 61.001 62.100 0.063 0.000 0.924 555 T CB 0.421 69.326 68.868 0.061 0.000 1.997 555 T HN -0.048 nan 8.240 nan 0.000 0.553 556 P HA 0.519 nan 4.420 nan 0.000 0.328 556 P C -1.234 176.149 177.300 0.138 0.000 1.512 556 P CA -0.885 62.289 63.100 0.123 0.000 1.268 556 P CB 1.811 33.576 31.700 0.109 0.000 1.766 557 V N 2.982 122.992 119.914 0.159 0.000 2.584 557 V HA -0.027 4.093 4.120 -0.000 0.000 0.303 557 V C 1.052 177.282 176.094 0.227 0.000 1.035 557 V CA 0.724 63.129 62.300 0.174 0.000 1.172 557 V CB -0.762 31.127 31.823 0.111 0.000 0.896 557 V HN 0.460 nan 8.190 nan 0.000 0.486 558 R N 4.172 124.808 120.500 0.226 0.000 2.437 558 R HA 0.450 4.790 4.340 -0.000 0.000 0.310 558 R C -0.504 175.863 176.300 0.111 0.000 0.955 558 R CA -0.969 55.230 56.100 0.166 0.000 0.851 558 R CB 1.398 31.752 30.300 0.090 0.000 1.161 558 R HN 0.737 nan 8.270 nan 0.000 0.446 559 L N 3.443 124.642 121.223 -0.040 0.000 2.540 559 L HA -0.038 4.302 4.340 -0.000 0.000 0.276 559 L C -0.235 176.486 176.870 -0.249 0.000 1.212 559 L CA 0.696 55.249 54.840 -0.478 0.000 0.893 559 L CB 0.379 42.178 42.059 -0.433 0.000 1.138 559 L HN 0.571 nan 8.230 nan 0.000 0.491 560 D N 6.547 126.786 120.400 -0.268 0.000 2.479 560 D HA 0.308 4.948 4.640 -0.000 0.000 0.247 560 D C -1.865 174.369 176.300 -0.110 0.000 1.119 560 D CA -2.200 51.725 54.000 -0.125 0.000 0.922 560 D CB 1.231 41.987 40.800 -0.073 0.000 1.014 560 D HN 0.251 nan 8.370 nan 0.000 0.510 561 P HA -0.026 nan 4.420 nan 0.000 0.222 561 P C 0.513 177.785 177.300 -0.047 0.000 1.147 561 P CA 0.638 63.695 63.100 -0.072 0.000 0.790 561 P CB 0.459 32.126 31.700 -0.054 0.000 0.780 562 D N -1.419 118.959 120.400 -0.036 0.000 2.264 562 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 562 D C 0.247 176.535 176.300 -0.019 0.000 0.966 562 D CA 1.127 55.114 54.000 -0.022 0.000 0.864 562 D CB -0.766 40.025 40.800 -0.015 0.000 0.933 562 D HN 0.141 nan 8.370 nan 0.000 0.499 563 T N 2.832 117.371 114.554 -0.025 0.000 3.016 563 T HA 0.352 4.702 4.350 -0.000 0.000 0.335 563 T C -2.504 172.184 174.700 -0.020 0.000 1.176 563 T CA -1.536 60.555 62.100 -0.016 0.000 0.987 563 T CB 1.315 70.178 68.868 -0.008 0.000 1.073 563 T HN -0.065 nan 8.240 nan 0.000 0.547 564 P HA 0.342 nan 4.420 nan 0.000 0.275 564 P C -0.805 176.496 177.300 0.002 0.000 1.228 564 P CA -0.556 62.538 63.100 -0.011 0.000 0.786 564 P CB 0.750 32.446 31.700 -0.007 0.000 0.927 565 V N 3.975 123.893 119.914 0.007 0.000 2.327 565 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 565 V C -1.975 174.136 176.094 0.027 0.000 1.019 565 V CA -1.681 60.634 62.300 0.024 0.000 0.814 565 V CB 0.809 32.655 31.823 0.039 0.000 1.040 565 V HN 0.589 nan 8.190 nan 0.000 0.440 566 P HA 0.263 nan 4.420 nan 0.000 0.272 566 P C -0.320 177.002 177.300 0.037 0.000 1.223 566 P CA -0.235 62.881 63.100 0.026 0.000 0.784 566 P CB 1.171 32.884 31.700 0.021 0.000 0.923 567 L N 1.087 122.333 121.223 0.039 0.000 2.439 567 L HA 0.340 4.680 4.340 -0.000 0.000 0.269 567 L C 1.157 178.057 176.870 0.049 0.000 1.179 567 L CA -0.830 54.040 54.840 0.050 0.000 0.828 567 L CB 0.005 42.094 42.059 0.050 0.000 1.106 567 L HN 0.417 nan 8.230 nan 0.000 0.467 568 A N 3.769 126.627 122.820 0.063 0.000 2.511 568 A HA 0.256 4.576 4.320 -0.000 0.000 0.242 568 A C -1.515 176.100 177.584 0.052 0.000 1.069 568 A CA -0.985 51.090 52.037 0.063 0.000 0.763 568 A CB -0.104 18.951 19.000 0.091 0.000 1.001 568 A HN 0.639 nan 8.150 nan 0.000 0.498 569 P HA -0.131 nan 4.420 nan 0.000 0.221 569 P C 0.605 177.918 177.300 0.022 0.000 1.145 569 P CA 1.518 64.630 63.100 0.020 0.000 0.795 569 P CB 0.049 31.753 31.700 0.006 0.000 0.775 570 N N -0.689 118.041 118.700 0.050 0.000 2.238 570 N HA -0.031 4.709 4.740 -0.000 0.000 0.222 570 N C 0.552 176.099 175.510 0.062 0.000 1.133 570 N CA 0.034 53.120 53.050 0.060 0.000 0.854 570 N CB -0.626 37.928 38.487 0.113 0.000 1.041 570 N HN 0.282 nan 8.380 nan 0.000 0.510 571 E N 0.129 120.368 120.200 0.065 0.000 2.651 571 E HA 0.156 4.506 4.350 -0.000 0.000 0.208 571 E C 0.374 177.018 176.600 0.073 0.000 0.997 571 E CA -0.306 56.147 56.400 0.088 0.000 1.020 571 E CB -0.215 29.563 29.700 0.130 0.000 1.052 571 E HN 0.196 nan 8.360 nan 0.000 0.465 572 L N 0.515 121.748 121.223 0.017 0.000 2.591 572 L HA 0.308 4.648 4.340 -0.000 0.000 0.228 572 L C 1.240 178.073 176.870 -0.061 0.000 1.133 572 L CA 0.130 54.970 54.840 0.000 0.000 0.880 572 L CB 0.027 42.065 42.059 -0.036 0.000 1.033 572 L HN 0.232 nan 8.230 nan 0.000 0.450 573 G N -1.224 107.524 108.800 -0.087 0.000 2.945 573 G HA2 0.252 4.211 3.960 -0.000 0.000 0.156 573 G HA3 0.252 4.211 3.960 -0.000 0.000 0.156 573 G C -0.957 173.972 174.900 0.047 0.000 1.375 573 G CA -0.546 44.449 45.100 -0.175 0.000 1.039 573 G HN 0.226 nan 8.290 nan 0.000 0.586 574 H N 0.414 119.655 119.070 0.285 0.000 2.620 574 H HA 0.514 5.070 4.556 -0.000 0.000 0.313 574 H C -0.096 175.374 175.328 0.237 0.000 1.075 574 H CA -0.081 56.133 56.048 0.277 0.000 1.397 574 H CB 1.234 31.152 29.762 0.260 0.000 1.446 574 H HN 0.007 nan 8.280 nan 0.000 0.493 575 K N 2.013 122.662 120.400 0.416 0.000 2.477 575 K HA 0.145 4.465 4.320 -0.000 0.000 0.255 575 K C -0.372 176.435 176.600 0.346 0.000 0.952 575 K CA -0.686 55.803 56.287 0.336 0.000 0.826 575 K CB 2.266 35.015 32.500 0.414 0.000 1.331 575 K HN 0.832 nan 8.250 nan 0.000 0.437 576 D N -1.727 118.696 120.400 0.038 0.000 2.525 576 D HA 0.107 4.746 4.640 -0.000 0.000 0.231 576 D C -0.340 175.741 176.300 -0.365 0.000 1.216 576 D CA -0.031 53.977 54.000 0.013 0.000 0.813 576 D CB 0.587 41.564 40.800 0.296 0.000 1.108 576 D HN 0.056 nan 8.370 nan 0.000 0.524 577 V N 1.149 120.683 119.914 -0.634 0.000 2.577 577 V HA 0.562 4.682 4.120 -0.000 0.000 0.303 577 V C -1.466 174.197 176.094 -0.719 0.000 1.042 577 V CA -0.770 61.193 62.300 -0.561 0.000 0.872 577 V CB 1.333 33.053 31.823 -0.172 0.000 0.998 577 V HN 0.037 nan 8.190 nan 0.000 0.423 578 F N 1.640 121.619 119.950 0.048 0.000 2.518 578 F HA 0.517 5.044 4.527 -0.000 0.000 0.323 578 F C 0.351 176.160 175.800 0.016 0.000 1.129 578 F CA -0.908 57.107 58.000 0.026 0.000 0.920 578 F CB 1.490 40.489 39.000 -0.001 0.000 1.160 578 F HN 0.380 nan 8.300 nan 0.000 0.440 579 Q N 2.061 121.982 119.800 0.202 0.000 2.263 579 Q HA 0.273 4.613 4.340 -0.000 0.000 0.289 579 Q C -0.625 175.471 176.000 0.161 0.000 1.061 579 Q CA 0.091 55.988 55.803 0.157 0.000 0.927 579 Q CB 1.199 30.023 28.738 0.142 0.000 1.154 579 Q HN 0.529 nan 8.270 nan 0.000 0.378 580 V N 6.169 126.166 119.914 0.138 0.000 2.266 580 V HA 0.224 4.343 4.120 -0.000 0.000 0.266 580 V C -2.176 173.999 176.094 0.135 0.000 1.036 580 V CA -1.757 60.626 62.300 0.139 0.000 0.828 580 V CB 0.689 32.586 31.823 0.123 0.000 1.081 580 V HN 0.645 nan 8.190 nan 0.000 0.449 581 P HA 0.179 nan 4.420 nan 0.000 0.272 581 P C 0.853 178.210 177.300 0.095 0.000 1.254 581 P CA 0.355 63.507 63.100 0.088 0.000 0.795 581 P CB 0.607 32.353 31.700 0.077 0.000 1.022 582 G N 0.056 108.900 108.800 0.074 0.000 2.479 582 G HA2 0.158 4.118 3.960 -0.000 0.000 0.275 582 G HA3 0.158 4.118 3.960 -0.000 0.000 0.275 582 G C -2.123 172.822 174.900 0.075 0.000 1.421 582 G CA -1.030 44.111 45.100 0.068 0.000 1.059 582 G HN 0.376 nan 8.290 nan 0.000 0.535 583 P HA -0.084 nan 4.420 nan 0.000 0.185 583 P C -0.414 176.972 177.300 0.144 0.000 0.860 583 P CA 1.241 64.391 63.100 0.084 0.000 1.176 583 P CB -0.326 31.425 31.700 0.086 0.000 1.233 584 Q N 1.669 121.560 119.800 0.151 0.000 2.503 584 Q HA 0.513 4.852 4.340 -0.000 0.000 0.268 584 Q C -1.093 175.019 176.000 0.186 0.000 0.982 584 Q CA -0.776 55.169 55.803 0.236 0.000 0.907 584 Q CB 1.822 30.656 28.738 0.160 0.000 1.467 584 Q HN 0.367 nan 8.270 nan 0.000 0.394 585 G N 1.750 110.736 108.800 0.309 0.000 2.371 585 G HA2 0.593 4.553 3.960 -0.000 0.000 0.326 585 G HA3 0.593 4.553 3.960 -0.000 0.000 0.326 585 G C -1.503 173.506 174.900 0.181 0.000 1.127 585 G CA -0.427 44.770 45.100 0.162 0.000 0.885 585 G HN 0.448 nan 8.290 nan 0.000 0.477 586 L N 1.118 122.435 121.223 0.157 0.000 2.365 586 L HA 0.756 5.096 4.340 -0.000 0.000 0.273 586 L C -0.202 176.719 176.870 0.084 0.000 1.000 586 L CA -0.863 54.060 54.840 0.138 0.000 0.819 586 L CB 1.802 43.960 42.059 0.166 0.000 1.284 586 L HN 0.497 nan 8.230 nan 0.000 0.418 587 R N 4.165 124.686 120.500 0.034 0.000 2.343 587 R HA 0.715 5.054 4.340 -0.000 0.000 0.320 587 R C -1.082 175.182 176.300 -0.060 0.000 0.956 587 R CA -0.698 55.398 56.100 -0.005 0.000 0.836 587 R CB 1.820 32.134 30.300 0.024 0.000 1.151 587 R HN 0.647 nan 8.270 nan 0.000 0.450 588 V N 0.395 120.232 119.914 -0.128 0.000 2.960 588 V HA 0.710 4.830 4.120 -0.000 0.000 0.315 588 V C -0.412 175.671 176.094 -0.017 0.000 1.087 588 V CA -1.072 61.127 62.300 -0.168 0.000 0.982 588 V CB 2.167 33.666 31.823 -0.541 0.000 1.039 588 V HN 0.766 nan 8.190 nan 0.000 0.437 589 M N 2.247 121.907 119.600 0.099 0.000 2.457 589 M HA 0.864 5.343 4.480 -0.000 0.000 0.300 589 M C -0.364 176.049 176.300 0.188 0.000 1.141 589 M CA -0.109 55.274 55.300 0.139 0.000 0.901 589 M CB 2.138 34.742 32.600 0.007 0.000 1.687 589 M HN 1.250 nan 8.290 nan 0.000 0.449 590 G N 2.495 111.299 108.800 0.008 0.000 2.692 590 G HA2 0.425 4.385 3.960 -0.000 0.000 0.291 590 G HA3 0.425 4.385 3.960 -0.000 0.000 0.291 590 G C -2.328 172.241 174.900 -0.552 0.000 1.423 590 G CA -0.702 44.032 45.100 -0.610 0.000 0.843 590 G HN 0.676 nan 8.290 nan 0.000 0.486 591 K N 0.646 120.588 120.400 -0.764 0.000 2.265 591 K HA 0.492 4.811 4.320 -0.000 0.000 0.267 591 K C -1.127 175.088 176.600 -0.642 0.000 0.994 591 K CA -0.670 55.171 56.287 -0.743 0.000 0.860 591 K CB 0.741 32.729 32.500 -0.855 0.000 1.099 591 K HN 0.267 nan 8.250 nan 0.000 0.448 592 F N 3.500 123.265 119.950 -0.308 0.000 2.406 592 F HA 0.168 4.694 4.527 -0.000 0.000 0.358 592 F C 0.140 175.858 175.800 -0.136 0.000 1.161 592 F CA -0.405 57.489 58.000 -0.177 0.000 1.185 592 F CB 0.585 39.571 39.000 -0.024 0.000 1.421 592 F HN 0.533 nan 8.300 nan 0.000 0.576 593 D N 0.942 121.292 120.400 -0.084 0.000 2.879 593 D HA 0.524 5.164 4.640 -0.000 0.000 0.236 593 D C 0.471 176.700 176.300 -0.118 0.000 1.171 593 D CA 0.069 54.005 54.000 -0.107 0.000 0.868 593 D CB 1.710 42.406 40.800 -0.174 0.000 1.598 593 D HN 0.554 nan 8.370 nan 0.000 0.497 594 G N 1.517 110.233 108.800 -0.139 0.000 2.176 594 G HA2 0.234 4.194 3.960 -0.000 0.000 0.253 594 G HA3 0.234 4.194 3.960 -0.000 0.000 0.253 594 G C 0.299 175.093 174.900 -0.177 0.000 0.979 594 G CA 0.223 45.244 45.100 -0.131 0.000 0.641 594 G HN 1.223 nan 8.290 nan 0.000 0.530 595 A N -1.601 121.048 122.820 -0.284 0.000 2.564 595 A HA 0.853 5.173 4.320 -0.000 0.000 0.291 595 A C -1.397 176.002 177.584 -0.308 0.000 1.102 595 A CA -0.662 51.225 52.037 -0.250 0.000 0.660 595 A CB 0.894 19.939 19.000 0.076 0.000 1.283 595 A HN 1.128 nan 8.150 nan 0.000 0.430 596 Y N -0.766 119.711 120.300 0.296 0.000 2.576 596 Y HA 0.797 5.346 4.550 -0.001 0.000 0.346 596 Y C 0.835 176.888 175.900 0.255 0.000 1.018 596 Y CA 0.063 58.331 58.100 0.280 0.000 1.050 596 Y CB 2.240 40.784 38.460 0.140 0.000 1.280 596 Y HN 2.030 nan 8.280 nan 0.000 0.474 597 G N 1.004 110.000 108.800 0.326 0.000 2.280 597 G HA2 0.080 4.039 3.960 -0.000 0.000 0.277 597 G HA3 0.080 4.039 3.960 -0.000 0.000 0.277 597 G C -1.785 172.960 174.900 -0.258 0.000 1.288 597 G CA -1.283 43.765 45.100 -0.087 0.000 1.075 597 G HN 0.649 nan 8.290 nan 0.000 0.480 598 R N -0.249 119.920 120.500 -0.552 0.000 2.295 598 R HA 0.745 5.085 4.340 -0.000 0.000 0.324 598 R C -0.937 174.995 176.300 -0.613 0.000 0.968 598 R CA -0.383 55.435 56.100 -0.470 0.000 0.837 598 R CB 0.417 30.373 30.300 -0.574 0.000 1.133 598 R HN 0.345 nan 8.270 nan 0.000 0.450 599 F N 2.216 121.996 119.950 -0.283 0.000 2.740 599 F HA 0.587 5.114 4.527 -0.000 0.000 0.357 599 F C 0.051 175.720 175.800 -0.218 0.000 1.141 599 F CA -1.005 56.793 58.000 -0.336 0.000 1.044 599 F CB 1.430 39.939 39.000 -0.818 0.000 1.430 599 F HN 0.117 nan 8.300 nan 0.000 0.518 600 M N 0.913 120.430 119.600 -0.139 0.000 2.644 600 M HA 0.403 4.883 4.480 -0.000 0.000 0.304 600 M C -1.462 175.067 176.300 0.381 0.000 1.215 600 M CA -0.732 54.526 55.300 -0.071 0.000 0.871 600 M CB 2.199 34.463 32.600 -0.560 0.000 1.740 600 M HN 0.671 nan 8.290 nan 0.000 0.464 601 Y N -0.405 120.186 120.300 0.485 0.000 2.524 601 Y HA 0.822 5.372 4.550 -0.000 0.000 0.347 601 Y C -1.065 175.098 175.900 0.439 0.000 1.005 601 Y CA -0.939 57.436 58.100 0.459 0.000 1.025 601 Y CB 1.351 40.179 38.460 0.615 0.000 1.275 601 Y HN 0.882 nan 8.280 nan 0.000 0.460 602 H N -0.060 119.232 119.070 0.371 0.000 2.950 602 H HA 0.461 5.017 4.556 -0.000 0.000 0.307 602 H C -1.568 173.930 175.328 0.282 0.000 1.403 602 H CA -1.480 54.691 56.048 0.206 0.000 1.145 602 H CB 0.635 30.447 29.762 0.083 0.000 1.844 602 H HN 1.102 nan 8.280 nan 0.000 0.515 603 C N 1.511 120.985 119.300 0.290 0.000 2.644 603 C HA 0.144 4.604 4.460 -0.000 0.000 0.417 603 C C 1.032 176.245 174.990 0.372 0.000 1.304 603 C CA -0.040 59.153 59.018 0.291 0.000 2.035 603 C CB -0.640 27.312 27.740 0.353 0.000 2.673 603 C HN 0.988 nan 8.230 nan 0.000 0.602 604 H N 4.545 123.756 119.070 0.235 0.000 2.507 604 H HA 0.293 4.848 4.556 -0.000 0.000 0.294 604 H C -0.157 175.248 175.328 0.128 0.000 1.064 604 H CA 0.144 56.337 56.048 0.240 0.000 1.138 604 H CB -0.022 29.862 29.762 0.203 0.000 1.515 604 H HN 0.584 nan 8.280 nan 0.000 0.547 605 L N 2.149 123.464 121.223 0.152 0.000 2.283 605 L HA 0.094 4.434 4.340 -0.000 0.000 0.287 605 L C 1.515 178.319 176.870 -0.109 0.000 1.073 605 L CA -0.266 54.556 54.840 -0.030 0.000 0.822 605 L CB 1.286 43.232 42.059 -0.189 0.000 1.186 605 L HN 0.165 nan 8.230 nan 0.000 0.436 606 L N 1.833 122.961 121.223 -0.158 0.000 2.127 606 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 606 L C 1.947 178.672 176.870 -0.241 0.000 1.089 606 L CA 1.146 55.843 54.840 -0.238 0.000 0.757 606 L CB -0.226 41.670 42.059 -0.271 0.000 0.899 606 L HN 0.657 nan 8.230 nan 0.000 0.434 607 E N -0.811 119.258 120.200 -0.219 0.000 2.150 607 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 607 E C 2.007 178.587 176.600 -0.033 0.000 0.985 607 E CA 1.058 57.356 56.400 -0.170 0.000 0.814 607 E CB -0.202 29.426 29.700 -0.119 0.000 0.752 607 E HN 0.576 nan 8.360 nan 0.000 0.466 608 H N -0.484 118.559 119.070 -0.045 0.000 2.372 608 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 608 H C 2.015 177.310 175.328 -0.055 0.000 1.065 608 H CA 0.863 56.911 56.048 -0.000 0.000 1.364 608 H CB 0.238 30.067 29.762 0.113 0.000 1.406 608 H HN 0.158 nan 8.280 nan 0.000 0.521 609 E N 0.913 121.136 120.200 0.038 0.000 2.058 609 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 609 E C 1.236 177.712 176.600 -0.208 0.000 0.997 609 E CA 1.509 57.841 56.400 -0.113 0.000 0.801 609 E CB 0.098 29.657 29.700 -0.236 0.000 0.746 609 E HN 0.392 nan 8.360 nan 0.000 0.450 610 D N -0.470 119.794 120.400 -0.226 0.000 2.310 610 D HA -0.086 4.554 4.640 -0.000 0.000 0.212 610 D C 0.687 176.879 176.300 -0.180 0.000 0.965 610 D CA 0.869 54.721 54.000 -0.247 0.000 0.879 610 D CB 0.097 40.698 40.800 -0.332 0.000 0.921 610 D HN 0.290 nan 8.370 nan 0.000 0.510 611 M N -0.921 118.590 119.600 -0.149 0.000 3.123 611 M HA 0.307 4.787 4.480 -0.000 0.000 0.283 611 M C 0.856 177.079 176.300 -0.129 0.000 1.191 611 M CA -0.203 54.990 55.300 -0.179 0.000 1.012 611 M CB 0.948 33.362 32.600 -0.310 0.000 1.247 611 M HN 0.006 nan 8.290 nan 0.000 0.542 612 G N 1.454 110.205 108.800 -0.082 0.000 2.179 612 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 612 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 612 G C 0.369 175.289 174.900 0.032 0.000 0.977 612 G CA 0.086 45.187 45.100 0.001 0.000 0.641 612 G HN 0.579 nan 8.290 nan 0.000 0.533 613 M N 0.803 120.409 119.600 0.009 0.000 3.709 613 M HA 0.673 5.153 4.480 -0.000 0.000 0.197 613 M C 0.250 176.589 176.300 0.065 0.000 1.511 613 M CA 0.401 55.731 55.300 0.049 0.000 1.688 613 M CB -0.353 32.287 32.600 0.066 0.000 1.109 613 M HN 0.413 nan 8.290 nan 0.000 0.561 614 M N 0.955 120.579 119.600 0.040 0.000 2.465 614 M HA 0.538 5.018 4.480 -0.000 0.000 0.284 614 M C -1.760 174.586 176.300 0.077 0.000 1.212 614 M CA -0.700 54.606 55.300 0.009 0.000 0.910 614 M CB 1.757 34.228 32.600 -0.215 0.000 1.725 614 M HN 0.156 nan 8.290 nan 0.000 0.477 615 R N 3.097 123.516 120.500 -0.134 0.000 2.725 615 R HA 0.675 5.015 4.340 -0.000 0.000 0.277 615 R C -2.930 173.418 176.300 0.081 0.000 0.987 615 R CA -1.609 54.401 56.100 -0.150 0.000 0.901 615 R CB 2.261 32.174 30.300 -0.645 0.000 1.207 615 R HN 0.437 nan 8.270 nan 0.000 0.463 616 P HA 0.371 nan 4.420 nan 0.000 0.281 616 P C -0.973 176.594 177.300 0.444 0.000 1.249 616 P CA -0.220 63.084 63.100 0.340 0.000 0.810 616 P CB 0.626 32.460 31.700 0.224 0.000 1.008 617 F N -0.537 119.648 119.950 0.392 0.000 2.626 617 F HA 0.702 5.229 4.527 -0.000 0.000 0.311 617 F C -1.828 174.199 175.800 0.379 0.000 1.088 617 F CA -1.430 56.811 58.000 0.402 0.000 0.949 617 F CB 1.030 40.392 39.000 0.603 0.000 1.322 617 F HN 0.007 nan 8.300 nan 0.000 0.461 618 V N 2.840 123.011 119.914 0.429 0.000 2.487 618 V HA 0.615 4.735 4.120 -0.000 0.000 0.298 618 V C -0.808 175.515 176.094 0.381 0.000 1.028 618 V CA -0.814 61.650 62.300 0.274 0.000 0.860 618 V CB 1.564 33.479 31.823 0.153 0.000 0.991 618 V HN 0.780 nan 8.190 nan 0.000 0.427 619 V N 6.766 126.929 119.914 0.416 0.000 2.417 619 V HA 0.659 4.778 4.120 -0.000 0.000 0.291 619 V C -0.054 176.283 176.094 0.405 0.000 1.024 619 V CA -0.358 62.191 62.300 0.415 0.000 0.861 619 V CB 1.507 33.614 31.823 0.473 0.000 0.985 619 V HN 0.962 nan 8.190 nan 0.000 0.436 620 M N 5.030 124.835 119.600 0.342 0.000 2.618 620 M HA 0.773 5.253 4.480 -0.000 0.000 0.281 620 M C -3.113 173.343 176.300 0.259 0.000 1.267 620 M CA -2.180 53.279 55.300 0.264 0.000 0.845 620 M CB 2.647 35.322 32.600 0.124 0.000 1.732 620 M HN 0.223 nan 8.290 nan 0.000 0.461 621 P HA 0.211 nan 4.420 nan 0.000 0.266 621 P C -2.267 175.100 177.300 0.112 0.000 1.195 621 P CA -0.696 62.475 63.100 0.119 0.000 0.768 621 P CB -0.168 31.485 31.700 -0.078 0.000 0.838 622 P HA -0.222 nan 4.420 nan 0.000 0.217 622 P C 1.019 178.352 177.300 0.055 0.000 1.151 622 P CA 1.671 64.821 63.100 0.082 0.000 0.849 622 P CB -0.031 31.715 31.700 0.078 0.000 0.787 623 E N -0.755 119.483 120.200 0.064 0.000 2.204 623 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 623 E C 2.016 178.698 176.600 0.136 0.000 0.989 623 E CA 1.318 57.761 56.400 0.071 0.000 0.824 623 E CB -0.943 28.810 29.700 0.088 0.000 0.756 623 E HN 0.201 nan 8.360 nan 0.000 0.477 624 A N 0.192 123.096 122.820 0.139 0.000 2.072 624 A HA 0.009 4.328 4.320 -0.000 0.000 0.216 624 A C 1.922 179.629 177.584 0.205 0.000 1.156 624 A CA 0.270 52.450 52.037 0.238 0.000 0.701 624 A CB -0.276 18.781 19.000 0.095 0.000 0.816 624 A HN 0.184 nan 8.150 nan 0.000 0.458 625 L N 0.206 121.483 121.223 0.090 0.000 2.079 625 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 625 L C 2.103 178.948 176.870 -0.041 0.000 1.081 625 L CA 1.719 56.584 54.840 0.042 0.000 0.752 625 L CB -0.334 41.744 42.059 0.031 0.000 0.896 625 L HN 0.240 nan 8.230 nan 0.000 0.433 626 K N -0.893 119.399 120.400 -0.180 0.000 2.362 626 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 626 K C 1.234 177.513 176.600 -0.534 0.000 1.045 626 K CA 1.274 57.300 56.287 -0.434 0.000 0.936 626 K CB -0.416 31.657 32.500 -0.712 0.000 0.747 626 K HN 0.354 nan 8.250 nan 0.000 0.467 627 F N 0.696 120.646 119.950 -0.001 0.000 2.647 627 F HA 0.198 4.725 4.527 -0.000 0.000 0.300 627 F C -0.401 175.397 175.800 -0.004 0.000 1.106 627 F CA -0.671 57.326 58.000 -0.005 0.000 1.313 627 F CB 0.257 39.251 39.000 -0.011 0.000 1.007 627 F HN -0.130 nan 8.300 nan 0.000 0.536 628 D N 0.000 120.458 120.400 0.097 0.000 6.856 628 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 628 D CA 0.000 54.041 54.000 0.068 0.000 0.868 628 D CB 0.000 40.840 40.800 0.066 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683