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_D 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 0.000 177.608 177.584 0.040 0.000 1.274 37 A CA 0.000 52.060 52.037 0.039 0.000 0.836 37 A CB 0.000 19.032 19.000 0.054 0.000 0.831 38 P HA 0.300 nan 4.420 nan 0.000 0.257 38 P C 1.200 178.523 177.300 0.038 0.000 1.162 38 P CA 2.438 65.555 63.100 0.029 0.000 0.762 38 P CB 0.384 32.098 31.700 0.024 0.000 0.753 39 G N 1.878 110.696 108.800 0.031 0.000 2.175 39 G HA2 -0.222 3.739 3.960 0.001 0.000 0.244 39 G HA3 -0.222 3.739 3.960 0.001 0.000 0.244 39 G C 0.045 174.968 174.900 0.039 0.000 0.982 39 G CA -0.332 44.788 45.100 0.032 0.000 0.641 39 G HN 0.559 nan 8.290 nan 0.000 0.527 40 E N 0.026 120.253 120.200 0.045 0.000 2.277 40 E HA 0.565 4.916 4.350 0.001 0.000 0.274 40 E C 0.587 177.173 176.600 -0.024 0.000 1.022 40 E CA -0.742 55.687 56.400 0.047 0.000 0.853 40 E CB 1.146 30.900 29.700 0.089 0.000 1.086 40 E HN 0.300 nan 8.360 nan 0.000 0.397 41 L N 2.072 123.248 121.223 -0.079 0.000 2.380 41 L HA 0.132 4.473 4.340 0.001 0.000 0.273 41 L C 0.360 177.194 176.870 -0.061 0.000 1.138 41 L CA -0.177 54.521 54.840 -0.237 0.000 0.832 41 L CB 0.416 42.143 42.059 -0.553 0.000 1.124 41 L HN 0.471 nan 8.230 nan 0.000 0.454 42 T N 4.657 119.206 114.554 -0.008 0.000 2.779 42 T HA 0.190 4.541 4.350 0.001 0.000 0.296 42 T C -2.140 172.666 174.700 0.176 0.000 0.938 42 T CA -0.921 61.224 62.100 0.075 0.000 1.119 42 T CB 0.479 69.417 68.868 0.116 0.000 0.891 42 T HN 0.404 nan 8.240 nan 0.000 0.526 43 P HA 0.152 nan 4.420 nan 0.000 0.272 43 P C -0.048 177.067 177.300 -0.309 0.000 1.223 43 P CA -0.386 62.491 63.100 -0.372 0.000 0.784 43 P CB 0.079 30.965 31.700 -1.357 0.000 0.923 44 F N -1.556 118.579 119.950 0.308 0.000 3.071 44 F HA -0.226 4.301 4.527 0.001 0.000 0.295 44 F C 1.182 177.164 175.800 0.303 0.000 0.919 44 F CA 0.123 58.287 58.000 0.273 0.000 1.050 44 F CB -2.413 36.695 39.000 0.179 0.000 1.040 44 F HN 0.391 nan 8.300 nan 0.000 0.692 45 A N -0.600 122.402 122.820 0.303 0.000 2.169 45 A HA 0.696 5.016 4.320 0.001 0.000 0.210 45 A C 1.140 178.800 177.584 0.126 0.000 1.168 45 A CA 0.873 53.011 52.037 0.168 0.000 0.813 45 A CB 0.239 19.244 19.000 0.008 0.000 0.861 45 A HN 0.910 nan 8.150 nan 0.000 0.481 46 A N 0.267 123.096 122.820 0.014 0.000 2.454 46 A HA 0.730 5.050 4.320 0.001 0.000 0.302 46 A C -3.120 174.128 177.584 -0.560 0.000 1.079 46 A CA -2.005 49.939 52.037 -0.156 0.000 0.731 46 A CB 1.145 20.023 19.000 -0.203 0.000 1.299 46 A HN 0.051 nan 8.150 nan 0.000 0.413 47 P HA 0.266 nan 4.420 nan 0.000 0.275 47 P C -0.247 176.785 177.300 -0.446 0.000 1.228 47 P CA -0.287 62.271 63.100 -0.903 0.000 0.786 47 P CB 0.674 32.095 31.700 -0.465 0.000 0.927 48 L N 3.499 124.490 121.223 -0.386 0.000 2.578 48 L HA 0.071 4.411 4.340 0.001 0.000 0.279 48 L C 0.565 177.358 176.870 -0.128 0.000 1.227 48 L CA 1.209 55.930 54.840 -0.199 0.000 0.900 48 L CB -0.326 41.635 42.059 -0.165 0.000 1.144 48 L HN 0.548 nan 8.230 nan 0.000 0.496 49 T N 2.668 117.173 114.554 -0.081 0.000 2.952 49 T HA 0.762 5.113 4.350 0.001 0.000 0.286 49 T C -0.209 174.483 174.700 -0.013 0.000 1.024 49 T CA -0.305 61.770 62.100 -0.041 0.000 1.029 49 T CB 1.657 70.505 68.868 -0.033 0.000 1.094 49 T HN 0.775 nan 8.240 nan 0.000 0.515 50 V N -1.823 118.095 119.914 0.006 0.000 2.823 50 V HA 0.754 4.875 4.120 0.001 0.000 0.312 50 V C -2.965 173.143 176.094 0.024 0.000 1.072 50 V CA -2.701 59.612 62.300 0.023 0.000 0.937 50 V CB 0.720 32.566 31.823 0.038 0.000 1.013 50 V HN 0.791 nan 8.190 nan 0.000 0.430 51 P HA 0.268 nan 4.420 nan 0.000 0.268 51 P C -2.552 174.774 177.300 0.043 0.000 1.208 51 P CA -0.563 62.560 63.100 0.038 0.000 0.777 51 P CB -0.318 31.413 31.700 0.052 0.000 0.875 52 P HA -0.004 nan 4.420 nan 0.000 0.269 52 P C -0.749 176.575 177.300 0.041 0.000 1.215 52 P CA 0.225 63.347 63.100 0.038 0.000 0.780 52 P CB 0.428 32.151 31.700 0.039 0.000 0.898 53 V N 3.480 123.409 119.914 0.025 0.000 2.439 53 V HA 0.210 4.331 4.120 0.001 0.000 0.282 53 V C 0.412 176.506 176.094 -0.001 0.000 1.039 53 V CA -0.495 61.814 62.300 0.014 0.000 0.913 53 V CB 1.096 32.920 31.823 0.003 0.000 0.983 53 V HN 0.399 nan 8.190 nan 0.000 0.460 54 L N 6.628 127.843 121.223 -0.015 0.000 2.313 54 L HA 0.583 4.923 4.340 0.001 0.000 0.283 54 L C -0.023 176.803 176.870 -0.073 0.000 1.013 54 L CA -0.107 54.711 54.840 -0.037 0.000 0.816 54 L CB 1.357 43.394 42.059 -0.038 0.000 1.236 54 L HN 0.545 nan 8.230 nan 0.000 0.419 55 R N 6.334 126.795 120.500 -0.065 0.000 2.312 55 R HA 0.364 4.704 4.340 0.001 0.000 0.310 55 R C -1.788 174.472 176.300 -0.067 0.000 1.064 55 R CA -1.315 54.739 56.100 -0.077 0.000 0.983 55 R CB 0.953 31.218 30.300 -0.057 0.000 1.139 55 R HN 0.529 nan 8.270 nan 0.000 0.536 56 P HA 0.007 nan 4.420 nan 0.000 0.231 56 P C 0.198 177.474 177.300 -0.040 0.000 1.168 56 P CA 0.275 63.337 63.100 -0.063 0.000 0.779 56 P CB 0.375 32.031 31.700 -0.073 0.000 0.844 57 A N 1.076 123.876 122.820 -0.034 0.000 2.524 57 A HA 0.408 4.729 4.320 0.001 0.000 0.250 57 A C 0.739 178.313 177.584 -0.016 0.000 1.078 57 A CA 0.178 52.206 52.037 -0.015 0.000 0.761 57 A CB -0.289 18.704 19.000 -0.011 0.000 1.012 57 A HN 0.373 nan 8.150 nan 0.000 0.500 58 S N 0.949 116.642 115.700 -0.012 0.000 2.704 58 S HA 0.537 5.008 4.470 0.001 0.000 0.296 58 S C -0.147 174.449 174.600 -0.006 0.000 1.138 58 S CA -0.623 57.570 58.200 -0.012 0.000 0.875 58 S CB 1.443 64.633 63.200 -0.017 0.000 1.151 58 S HN 0.538 nan 8.310 nan 0.000 0.500 59 D N 0.306 120.702 120.400 -0.007 0.000 2.340 59 D HA 0.112 4.752 4.640 0.001 0.000 0.220 59 D C -0.307 175.991 176.300 -0.004 0.000 1.039 59 D CA 0.558 54.556 54.000 -0.004 0.000 0.866 59 D CB 0.213 41.010 40.800 -0.004 0.000 0.913 59 D HN 0.602 nan 8.370 nan 0.000 0.523 60 E N 1.260 121.455 120.200 -0.008 0.000 2.070 60 E HA 0.108 4.459 4.350 0.001 0.000 0.261 60 E C 0.733 177.326 176.600 -0.011 0.000 0.926 60 E CA -0.255 56.139 56.400 -0.009 0.000 0.760 60 E CB 2.248 31.941 29.700 -0.012 0.000 1.133 60 E HN -0.177 nan 8.360 nan 0.000 0.420 61 V N 3.391 123.301 119.914 -0.007 0.000 2.594 61 V HA -0.210 3.911 4.120 0.001 0.000 0.253 61 V C 1.976 178.059 176.094 -0.017 0.000 1.069 61 V CA 2.614 64.909 62.300 -0.008 0.000 1.082 61 V CB -0.206 31.617 31.823 -0.000 0.000 0.680 61 V HN 0.740 nan 8.190 nan 0.000 0.469 62 T N -1.759 112.784 114.554 -0.018 0.000 3.118 62 T HA -0.036 4.315 4.350 0.001 0.000 0.260 62 T C 1.183 175.865 174.700 -0.029 0.000 1.139 62 T CA 0.116 62.202 62.100 -0.024 0.000 1.085 62 T CB -0.403 68.453 68.868 -0.019 0.000 0.934 62 T HN 0.506 nan 8.240 nan 0.000 0.518 63 R N 2.057 122.540 120.500 -0.028 0.000 2.248 63 R HA 0.225 4.566 4.340 0.001 0.000 0.337 63 R C -0.624 175.649 176.300 -0.046 0.000 1.106 63 R CA -0.314 55.766 56.100 -0.034 0.000 0.959 63 R CB 0.181 30.464 30.300 -0.028 0.000 1.075 63 R HN 0.428 nan 8.270 nan 0.000 0.480 64 E N 1.775 121.940 120.200 -0.058 0.000 2.404 64 E HA 0.024 4.374 4.350 0.001 0.000 0.261 64 E C -0.440 176.106 176.600 -0.090 0.000 1.074 64 E CA 0.251 56.601 56.400 -0.082 0.000 0.917 64 E CB 0.876 30.518 29.700 -0.096 0.000 0.965 64 E HN 0.439 nan 8.360 nan 0.000 0.433 65 T N 2.218 116.700 114.554 -0.120 0.000 2.743 65 T HA 0.067 4.418 4.350 0.001 0.000 0.293 65 T C -0.080 174.514 174.700 -0.177 0.000 0.945 65 T CA -0.353 61.668 62.100 -0.133 0.000 1.030 65 T CB 0.572 69.352 68.868 -0.147 0.000 0.912 65 T HN 0.377 nan 8.240 nan 0.000 0.483 66 E N 3.712 123.835 120.200 -0.127 0.000 2.316 66 E HA 0.273 4.623 4.350 0.001 0.000 0.275 66 E C -0.800 175.729 176.600 -0.119 0.000 1.029 66 E CA -0.300 56.029 56.400 -0.120 0.000 0.871 66 E CB 0.447 30.110 29.700 -0.063 0.000 1.022 66 E HN 0.545 nan 8.360 nan 0.000 0.418 67 I N 4.059 124.547 120.570 -0.137 0.000 2.411 67 I HA 0.343 4.514 4.170 0.001 0.000 0.284 67 I C -0.463 175.739 176.117 0.142 0.000 1.012 67 I CA -0.660 60.626 61.300 -0.023 0.000 1.119 67 I CB 1.642 39.555 38.000 -0.145 0.000 1.261 67 I HN 0.509 nan 8.210 nan 0.000 0.448 68 A N 7.370 130.274 122.820 0.140 0.000 2.276 68 A HA 0.724 5.045 4.320 0.001 0.000 0.316 68 A C -0.658 177.017 177.584 0.153 0.000 1.229 68 A CA -0.485 51.627 52.037 0.124 0.000 0.851 68 A CB 0.534 19.575 19.000 0.068 0.000 1.165 68 A HN 0.576 nan 8.150 nan 0.000 0.513 69 L N 3.142 124.435 121.223 0.117 0.000 2.360 69 L HA 0.441 4.782 4.340 0.001 0.000 0.276 69 L C 0.694 177.528 176.870 -0.059 0.000 1.121 69 L CA 0.929 55.769 54.840 0.000 0.000 0.845 69 L CB 0.349 42.356 42.059 -0.087 0.000 1.143 69 L HN 0.725 nan 8.230 nan 0.000 0.452 70 R N 3.289 123.750 120.500 -0.065 0.000 2.604 70 R HA 0.460 4.800 4.340 0.001 0.000 0.281 70 R C -2.688 173.589 176.300 -0.039 0.000 1.020 70 R CA -2.063 54.005 56.100 -0.052 0.000 0.899 70 R CB 1.463 31.778 30.300 0.024 0.000 1.205 70 R HN 0.260 nan 8.270 nan 0.000 0.450 71 P HA -0.053 nan 4.420 nan 0.000 0.265 71 P C -0.423 176.905 177.300 0.046 0.000 1.187 71 P CA 0.447 63.605 63.100 0.097 0.000 0.766 71 P CB 0.699 32.451 31.700 0.088 0.000 0.820 72 T N 2.085 116.615 114.554 -0.040 0.000 2.889 72 T HA 0.551 4.902 4.350 0.001 0.000 0.315 72 T C -2.112 172.478 174.700 -0.182 0.000 1.291 72 T CA -0.640 61.456 62.100 -0.007 0.000 1.028 72 T CB 0.517 69.407 68.868 0.037 0.000 1.235 72 T HN 0.132 nan 8.240 nan 0.000 0.491 73 W N 2.847 124.164 121.300 0.029 0.000 2.376 73 W HA 0.672 5.332 4.660 0.001 0.000 0.312 73 W C -0.706 175.813 176.519 0.000 0.000 1.060 73 W CA -0.563 56.788 57.345 0.009 0.000 1.221 73 W CB 1.694 31.156 29.460 0.004 0.000 1.281 73 W HN 0.435 nan 8.180 nan 0.000 0.456 74 V N 4.317 124.321 119.914 0.149 0.000 2.448 74 V HA 0.380 4.501 4.120 0.001 0.000 0.295 74 V C -0.116 176.027 176.094 0.083 0.000 1.025 74 V CA -1.253 61.095 62.300 0.080 0.000 0.859 74 V CB 1.619 33.450 31.823 0.012 0.000 0.988 74 V HN 0.254 nan 8.190 nan 0.000 0.431 75 R N 3.855 124.389 120.500 0.056 0.000 2.325 75 R HA 0.359 4.700 4.340 0.001 0.000 0.323 75 R C 0.693 176.989 176.300 -0.006 0.000 1.177 75 R CA 0.094 56.212 56.100 0.029 0.000 1.018 75 R CB -0.204 30.102 30.300 0.010 0.000 1.070 75 R HN 0.766 nan 8.270 nan 0.000 0.495 76 L N 1.654 122.870 121.223 -0.011 0.000 2.156 76 L HA 0.027 4.367 4.340 0.001 0.000 0.208 76 L C 0.780 177.638 176.870 -0.021 0.000 1.095 76 L CA 0.838 55.654 54.840 -0.040 0.000 0.770 76 L CB -0.128 41.882 42.059 -0.082 0.000 0.914 76 L HN 0.607 nan 8.230 nan 0.000 0.439 77 H N -2.071 116.930 119.070 -0.114 0.000 3.079 77 H HA 0.156 4.713 4.556 0.002 0.000 0.356 77 H C -2.300 172.990 175.328 -0.064 0.000 1.221 77 H CA -1.163 54.821 56.048 -0.107 0.000 1.185 77 H CB 2.455 32.112 29.762 -0.175 0.000 1.882 77 H HN -0.322 nan 8.280 nan 0.000 0.543 78 P HA -0.057 nan 4.420 nan 0.000 0.222 78 P C 0.705 178.050 177.300 0.075 0.000 1.147 78 P CA 1.247 64.296 63.100 -0.085 0.000 0.790 78 P CB 0.319 31.931 31.700 -0.146 0.000 0.780 79 Q N -1.396 118.587 119.800 0.304 0.000 2.403 79 Q HA 0.155 4.495 4.340 0.001 0.000 0.203 79 Q C 0.311 176.355 176.000 0.074 0.000 0.932 79 Q CA 0.059 55.970 55.803 0.181 0.000 0.945 79 Q CB 0.009 28.847 28.738 0.166 0.000 1.045 79 Q HN 0.302 nan 8.270 nan 0.000 0.511 80 L N 1.632 122.898 121.223 0.071 0.000 2.330 80 L HA 0.487 4.828 4.340 0.001 0.000 0.271 80 L C -2.167 174.711 176.870 0.012 0.000 1.013 80 L CA -2.434 52.408 54.840 0.003 0.000 0.816 80 L CB 1.440 43.480 42.059 -0.032 0.000 1.287 80 L HN -0.080 nan 8.230 nan 0.000 0.435 81 P HA 0.209 nan 4.420 nan 0.000 0.274 81 P C -2.712 174.625 177.300 0.061 0.000 1.246 81 P CA -1.478 61.633 63.100 0.020 0.000 0.795 81 P CB -0.173 31.538 31.700 0.017 0.000 1.006 82 P HA 0.086 nan 4.420 nan 0.000 0.268 82 P C -0.281 177.244 177.300 0.374 0.000 1.208 82 P CA 0.503 63.733 63.100 0.216 0.000 0.777 82 P CB 0.033 31.876 31.700 0.238 0.000 0.875 83 T N 2.575 117.298 114.554 0.282 0.000 2.823 83 T HA 0.336 4.687 4.350 0.001 0.000 0.279 83 T C -0.107 174.470 174.700 -0.206 0.000 0.998 83 T CA -0.466 61.686 62.100 0.087 0.000 0.994 83 T CB 0.692 69.543 68.868 -0.029 0.000 0.960 83 T HN 0.199 nan 8.240 nan 0.000 0.448 84 L N 4.958 125.772 121.223 -0.682 0.000 2.360 84 L HA 0.558 4.899 4.340 0.001 0.000 0.276 84 L C -0.570 175.913 176.870 -0.645 0.000 1.121 84 L CA 0.683 54.800 54.840 -1.206 0.000 0.845 84 L CB -0.348 40.973 42.059 -1.231 0.000 1.143 84 L HN 0.666 nan 8.230 nan 0.000 0.452 85 M N 3.492 122.775 119.600 -0.528 0.000 2.716 85 M HA 0.379 4.860 4.480 0.001 0.000 0.278 85 M C -1.622 174.607 176.300 -0.119 0.000 1.281 85 M CA -0.617 54.478 55.300 -0.342 0.000 0.814 85 M CB 2.171 34.661 32.600 -0.183 0.000 1.719 85 M HN 0.396 nan 8.290 nan 0.000 0.457 86 W N 0.755 121.918 121.300 -0.228 0.000 2.475 86 W HA 0.717 5.377 4.660 0.001 0.000 0.317 86 W C -0.153 176.261 176.519 -0.175 0.000 1.046 86 W CA -1.109 56.121 57.345 -0.191 0.000 1.215 86 W CB 1.451 30.797 29.460 -0.189 0.000 1.335 86 W HN 0.674 nan 8.180 nan 0.000 0.471 87 G N 2.157 110.993 108.800 0.059 0.000 2.591 87 G HA2 0.534 4.495 3.960 0.001 0.000 0.306 87 G HA3 0.534 4.495 3.960 0.001 0.000 0.306 87 G C -1.898 173.006 174.900 0.008 0.000 1.334 87 G CA -0.724 44.377 45.100 0.002 0.000 0.981 87 G HN 0.183 nan 8.290 nan 0.000 0.491 88 Y N 1.267 121.670 120.300 0.171 0.000 2.620 88 Y HA 0.077 4.628 4.550 0.001 0.000 0.330 88 Y C 1.048 177.044 175.900 0.160 0.000 1.186 88 Y CA 0.578 58.814 58.100 0.226 0.000 1.467 88 Y CB 0.537 39.235 38.460 0.396 0.000 1.262 88 Y HN 0.612 nan 8.280 nan 0.000 0.550 89 D N 2.329 122.892 120.400 0.272 0.000 2.782 89 D HA -0.208 4.433 4.640 0.001 0.000 0.231 89 D C 1.307 177.681 176.300 0.123 0.000 1.163 89 D CA 1.710 55.806 54.000 0.160 0.000 0.680 89 D CB -1.213 39.670 40.800 0.139 0.000 1.062 89 D HN 1.091 nan 8.370 nan 0.000 0.425 90 G N -1.070 107.795 108.800 0.109 0.000 2.168 90 G HA2 -0.343 3.618 3.960 0.001 0.000 0.257 90 G HA3 -0.343 3.618 3.960 0.001 0.000 0.257 90 G C 0.071 175.018 174.900 0.078 0.000 0.997 90 G CA 0.494 45.643 45.100 0.081 0.000 0.708 90 G HN 0.404 nan 8.290 nan 0.000 0.520 91 Q N -0.635 119.222 119.800 0.095 0.000 2.309 91 Q HA 0.703 5.044 4.340 0.001 0.000 0.264 91 Q C -0.350 175.671 176.000 0.035 0.000 1.008 91 Q CA -0.696 55.150 55.803 0.070 0.000 0.853 91 Q CB 2.626 31.418 28.738 0.090 0.000 1.314 91 Q HN 0.348 nan 8.270 nan 0.000 0.448 92 V N 3.416 123.320 119.914 -0.017 0.000 2.482 92 V HA 0.352 4.473 4.120 0.001 0.000 0.295 92 V C -2.241 173.782 176.094 -0.117 0.000 1.026 92 V CA -1.643 60.593 62.300 -0.108 0.000 0.856 92 V CB 1.893 33.671 31.823 -0.076 0.000 1.001 92 V HN 0.601 nan 8.190 nan 0.000 0.424 93 P HA 0.256 nan 4.420 nan 0.000 0.273 93 P C 0.557 177.779 177.300 -0.131 0.000 1.250 93 P CA 0.138 62.980 63.100 -0.430 0.000 0.793 93 P CB 0.522 31.990 31.700 -0.387 0.000 1.011 94 G N 1.085 109.866 108.800 -0.032 0.000 2.732 94 G HA2 0.204 4.165 3.960 0.001 0.000 0.244 94 G HA3 0.204 4.165 3.960 0.001 0.000 0.244 94 G C -2.400 172.640 174.900 0.232 0.000 1.226 94 G CA -0.690 44.568 45.100 0.263 0.000 0.860 94 G HN 0.333 nan 8.290 nan 0.000 0.583 95 P HA 0.137 nan 4.420 nan 0.000 0.267 95 P C 0.096 177.544 177.300 0.247 0.000 1.200 95 P CA 0.077 63.298 63.100 0.201 0.000 0.772 95 P CB 0.429 32.217 31.700 0.146 0.000 0.855 96 T N 4.077 118.722 114.554 0.152 0.000 2.743 96 T HA 0.231 4.581 4.350 0.001 0.000 0.290 96 T C 0.675 175.416 174.700 0.067 0.000 0.908 96 T CA 0.055 62.240 62.100 0.142 0.000 1.092 96 T CB -0.767 68.153 68.868 0.086 0.000 0.882 96 T HN 0.197 nan 8.240 nan 0.000 0.531 97 I N 3.428 124.031 120.570 0.055 0.000 2.441 97 I HA 0.235 4.405 4.170 0.001 0.000 0.287 97 I C 0.752 176.679 176.117 -0.316 0.000 1.049 97 I CA -0.063 61.128 61.300 -0.182 0.000 1.381 97 I CB 0.724 38.524 38.000 -0.333 0.000 1.409 97 I HN 0.549 nan 8.210 nan 0.000 0.523 98 E N 6.429 126.463 120.200 -0.276 0.000 2.234 98 E HA 0.647 4.997 4.350 0.001 0.000 0.266 98 E C -1.416 175.037 176.600 -0.244 0.000 0.877 98 E CA -0.676 55.576 56.400 -0.246 0.000 0.758 98 E CB 2.022 31.646 29.700 -0.126 0.000 1.170 98 E HN 0.449 nan 8.360 nan 0.000 0.415 99 V N 0.771 120.539 119.914 -0.243 0.000 3.181 99 V HA 0.685 4.806 4.120 0.001 0.000 0.308 99 V C -0.896 175.145 176.094 -0.089 0.000 1.214 99 V CA -1.165 61.047 62.300 -0.146 0.000 1.053 99 V CB 1.950 33.702 31.823 -0.117 0.000 1.069 99 V HN 0.633 nan 8.190 nan 0.000 0.441 100 R N 0.738 121.213 120.500 -0.042 0.000 2.532 100 R HA 0.547 4.888 4.340 0.001 0.000 0.295 100 R C -0.095 176.207 176.300 0.003 0.000 0.968 100 R CA -0.906 55.178 56.100 -0.026 0.000 0.916 100 R CB 1.729 32.019 30.300 -0.017 0.000 1.124 100 R HN 0.896 nan 8.270 nan 0.000 0.463 101 R N 0.812 121.313 120.500 0.001 0.000 2.504 101 R HA -0.175 4.165 4.340 0.001 0.000 0.302 101 R C 0.688 177.015 176.300 0.044 0.000 0.893 101 R CA 1.912 58.029 56.100 0.030 0.000 1.138 101 R CB -0.249 30.060 30.300 0.015 0.000 0.880 101 R HN 0.960 nan 8.270 nan 0.000 0.415 102 G N 2.757 111.603 108.800 0.076 0.000 2.217 102 G HA2 -0.314 3.647 3.960 0.001 0.000 0.246 102 G HA3 -0.314 3.647 3.960 0.001 0.000 0.246 102 G C -0.224 174.716 174.900 0.067 0.000 0.990 102 G CA 0.295 45.437 45.100 0.070 0.000 0.627 102 G HN 0.657 nan 8.290 nan 0.000 0.522 103 Q N 0.923 120.763 119.800 0.065 0.000 2.348 103 Q HA 0.340 4.680 4.340 0.001 0.000 0.251 103 Q C 0.694 176.750 176.000 0.093 0.000 1.113 103 Q CA -0.301 55.538 55.803 0.060 0.000 0.902 103 Q CB 0.614 29.374 28.738 0.036 0.000 1.333 103 Q HN 0.460 nan 8.270 nan 0.000 0.457 104 R N 2.284 122.835 120.500 0.084 0.000 2.449 104 R HA 0.232 4.573 4.340 0.001 0.000 0.296 104 R C -1.060 175.292 176.300 0.086 0.000 1.047 104 R CA 0.033 56.191 56.100 0.096 0.000 1.018 104 R CB 0.490 30.830 30.300 0.066 0.000 0.962 104 R HN 0.348 nan 8.270 nan 0.000 0.428 105 V N 5.504 125.492 119.914 0.123 0.000 2.789 105 V HA 0.478 4.599 4.120 0.001 0.000 0.311 105 V C -0.511 175.623 176.094 0.066 0.000 1.073 105 V CA -0.823 61.544 62.300 0.111 0.000 0.921 105 V CB 2.235 34.176 31.823 0.196 0.000 1.009 105 V HN 0.815 nan 8.190 nan 0.000 0.426 106 R N 4.110 124.608 120.500 -0.005 0.000 2.534 106 R HA 0.739 5.080 4.340 0.001 0.000 0.301 106 R C -1.446 174.777 176.300 -0.129 0.000 0.961 106 R CA -0.607 55.445 56.100 -0.081 0.000 0.871 106 R CB 2.389 32.641 30.300 -0.080 0.000 1.170 106 R HN 0.562 nan 8.270 nan 0.000 0.446 107 I N 1.612 122.051 120.570 -0.218 0.000 2.466 107 I HA 0.339 4.510 4.170 0.001 0.000 0.289 107 I C -0.367 175.480 176.117 -0.450 0.000 1.026 107 I CA -0.613 60.443 61.300 -0.406 0.000 1.078 107 I CB 2.209 39.816 38.000 -0.654 0.000 1.249 107 I HN 0.664 nan 8.210 nan 0.000 0.429 108 A N 6.733 129.335 122.820 -0.364 0.000 2.621 108 A HA 0.361 4.682 4.320 0.001 0.000 0.329 108 A C -1.160 176.297 177.584 -0.211 0.000 1.458 108 A CA -0.402 51.504 52.037 -0.218 0.000 1.052 108 A CB -0.430 18.500 19.000 -0.117 0.000 1.142 108 A HN 0.701 nan 8.150 nan 0.000 0.523 109 W N 2.375 123.687 121.300 0.019 0.000 2.774 109 W HA 0.283 4.944 4.660 0.002 0.000 0.353 109 W C 0.097 176.645 176.519 0.048 0.000 1.373 109 W CA 0.229 57.612 57.345 0.063 0.000 1.432 109 W CB 0.131 29.645 29.460 0.090 0.000 1.545 109 W HN 0.463 nan 8.180 nan 0.000 0.531 110 T N 3.723 118.405 114.554 0.215 0.000 2.772 110 T HA 0.059 4.410 4.350 0.001 0.000 0.288 110 T C -0.111 174.635 174.700 0.077 0.000 0.994 110 T CA -0.853 61.303 62.100 0.094 0.000 0.951 110 T CB 0.528 69.412 68.868 0.026 0.000 0.933 110 T HN 0.185 nan 8.240 nan 0.000 0.447 111 N N 3.183 121.903 118.700 0.035 0.000 2.399 111 N HA 0.054 4.795 4.740 0.001 0.000 0.259 111 N C 0.330 175.839 175.510 -0.002 0.000 1.160 111 N CA -0.308 52.747 53.050 0.009 0.000 0.946 111 N CB 0.381 38.876 38.487 0.014 0.000 1.156 111 N HN 0.397 nan 8.380 nan 0.000 0.489 112 R N 3.972 124.498 120.500 0.043 0.000 2.700 112 R HA 0.280 4.621 4.340 0.001 0.000 0.377 112 R C -0.206 176.219 176.300 0.208 0.000 1.130 112 R CA -0.325 55.882 56.100 0.177 0.000 1.055 112 R CB 0.060 30.427 30.300 0.111 0.000 1.387 112 R HN 0.520 nan 8.270 nan 0.000 0.580 113 I N 3.373 123.993 120.570 0.082 0.000 2.291 113 I HA 0.185 4.356 4.170 0.001 0.000 0.292 113 I C -2.079 173.946 176.117 -0.155 0.000 1.064 113 I CA -2.087 59.104 61.300 -0.182 0.000 1.269 113 I CB 1.070 38.681 38.000 -0.647 0.000 1.418 113 I HN -0.268 nan 8.210 nan 0.000 0.485 114 P HA 0.023 nan 4.420 nan 0.000 0.267 114 P C -0.533 176.472 177.300 -0.492 0.000 1.200 114 P CA -0.239 62.361 63.100 -0.832 0.000 0.772 114 P CB 0.426 31.831 31.700 -0.491 0.000 0.855 115 K N 1.562 121.640 120.400 -0.537 0.000 2.518 115 K HA 0.167 4.487 4.320 0.001 0.000 0.276 115 K C 1.392 177.919 176.600 -0.121 0.000 0.974 115 K CA 1.226 57.400 56.287 -0.187 0.000 0.986 115 K CB -0.463 31.968 32.500 -0.114 0.000 0.901 115 K HN 0.848 nan 8.250 nan 0.000 0.497 116 G N 1.353 110.137 108.800 -0.028 0.000 2.179 116 G HA2 -0.286 3.675 3.960 0.001 0.000 0.260 116 G HA3 -0.286 3.675 3.960 0.001 0.000 0.260 116 G C 0.047 174.970 174.900 0.038 0.000 0.977 116 G CA 0.294 45.396 45.100 0.004 0.000 0.641 116 G HN 0.547 nan 8.290 nan 0.000 0.533 117 S N 0.534 116.268 115.700 0.056 0.000 2.558 117 S HA 0.287 4.758 4.470 0.001 0.000 0.288 117 S C 0.517 175.237 174.600 0.200 0.000 1.318 117 S CA 0.043 58.325 58.200 0.138 0.000 1.056 117 S CB 1.346 64.660 63.200 0.191 0.000 0.853 117 S HN 0.505 nan 8.310 nan 0.000 0.505 118 E N 1.156 121.451 120.200 0.158 0.000 2.360 118 E HA 0.032 4.382 4.350 0.001 0.000 0.269 118 E C -0.943 175.704 176.600 0.079 0.000 1.022 118 E CA -0.291 56.174 56.400 0.108 0.000 0.887 118 E CB 0.393 30.126 29.700 0.055 0.000 0.990 118 E HN 0.580 nan 8.360 nan 0.000 0.426 119 Y N 6.240 126.495 120.300 -0.075 0.000 2.496 119 Y HA 0.093 4.644 4.550 0.001 0.000 0.334 119 Y C -1.734 173.921 175.900 -0.409 0.000 1.080 119 Y CA -1.806 56.128 58.100 -0.276 0.000 1.355 119 Y CB 0.959 39.277 38.460 -0.236 0.000 1.193 119 Y HN 0.541 nan 8.280 nan 0.000 0.523 120 P HA -0.086 nan 4.420 nan 0.000 0.223 120 P C -0.644 176.307 177.300 -0.581 0.000 1.151 120 P CA 0.979 63.555 63.100 -0.874 0.000 0.787 120 P CB 0.218 31.227 31.700 -1.151 0.000 0.788 121 V N 0.152 119.739 119.914 -0.545 0.000 2.384 121 V HA 0.213 4.334 4.120 0.001 0.000 0.287 121 V C 0.227 176.276 176.094 -0.075 0.000 1.020 121 V CA -0.397 61.776 62.300 -0.213 0.000 0.850 121 V CB 1.454 33.219 31.823 -0.097 0.000 0.987 121 V HN -0.110 nan 8.190 nan 0.000 0.436 122 T N 3.629 118.147 114.554 -0.060 0.000 2.856 122 T HA 0.351 4.702 4.350 0.001 0.000 0.292 122 T C 0.091 174.790 174.700 -0.002 0.000 0.980 122 T CA 0.020 62.094 62.100 -0.043 0.000 1.091 122 T CB 1.242 70.100 68.868 -0.016 0.000 0.936 122 T HN 0.643 nan 8.240 nan 0.000 0.503 123 S N 2.034 117.700 115.700 -0.056 0.000 2.502 123 S HA 0.750 5.221 4.470 0.001 0.000 0.304 123 S C -0.689 173.959 174.600 0.079 0.000 1.097 123 S CA -0.689 57.543 58.200 0.052 0.000 1.045 123 S CB 0.485 63.603 63.200 -0.136 0.000 1.019 123 S HN 0.688 nan 8.310 nan 0.000 0.481 124 V N 1.948 121.962 119.914 0.166 0.000 3.049 124 V HA 0.730 4.851 4.120 0.001 0.000 0.309 124 V C -1.143 175.051 176.094 0.166 0.000 1.148 124 V CA -0.961 61.417 62.300 0.130 0.000 0.990 124 V CB 1.857 33.736 31.823 0.094 0.000 1.039 124 V HN 0.829 nan 8.190 nan 0.000 0.430 125 E N 1.870 122.149 120.200 0.132 0.000 2.158 125 E HA 0.660 5.010 4.350 0.001 0.000 0.271 125 E C -0.657 175.996 176.600 0.088 0.000 0.911 125 E CA -0.786 55.688 56.400 0.124 0.000 0.767 125 E CB 2.453 32.231 29.700 0.129 0.000 1.120 125 E HN 0.955 nan 8.360 nan 0.000 0.405 126 V N 0.514 120.474 119.914 0.077 0.000 2.881 126 V HA 0.648 4.769 4.120 0.001 0.000 0.316 126 V C -2.632 173.491 176.094 0.048 0.000 1.070 126 V CA -2.826 59.508 62.300 0.057 0.000 0.976 126 V CB 1.288 33.141 31.823 0.050 0.000 1.038 126 V HN 0.438 nan 8.190 nan 0.000 0.446 127 P HA 0.280 nan 4.420 nan 0.000 0.272 127 P C 1.024 178.339 177.300 0.024 0.000 1.240 127 P CA -0.295 62.824 63.100 0.031 0.000 0.791 127 P CB 0.682 32.397 31.700 0.025 0.000 0.978 128 L N 0.280 121.515 121.223 0.020 0.000 2.012 128 L HA -0.092 4.249 4.340 0.001 0.000 0.210 128 L C 1.376 178.248 176.870 0.003 0.000 1.073 128 L CA 1.854 56.701 54.840 0.011 0.000 0.748 128 L CB -1.166 40.899 42.059 0.010 0.000 0.891 128 L HN 0.765 nan 8.230 nan 0.000 0.431 129 G N -0.705 108.098 108.800 0.004 0.000 2.907 129 G HA2 -0.247 3.714 3.960 0.001 0.000 0.242 129 G HA3 -0.247 3.714 3.960 0.001 0.000 0.242 129 G C -2.416 172.480 174.900 -0.007 0.000 1.448 129 G CA -0.680 44.419 45.100 -0.001 0.000 0.911 129 G HN 0.205 nan 8.290 nan 0.000 0.553 130 P HA 0.357 nan 4.420 nan 0.000 0.271 130 P C -2.105 175.184 177.300 -0.017 0.000 1.216 130 P CA -0.860 62.233 63.100 -0.012 0.000 0.771 130 P CB 0.380 32.073 31.700 -0.012 0.000 0.864 131 P HA 0.074 nan 4.420 nan 0.000 0.267 131 P C 0.991 178.276 177.300 -0.024 0.000 1.200 131 P CA 0.660 63.749 63.100 -0.019 0.000 0.772 131 P CB 0.229 31.920 31.700 -0.015 0.000 0.855 132 G N 0.912 109.694 108.800 -0.030 0.000 2.168 132 G HA2 -0.216 3.745 3.960 0.001 0.000 0.263 132 G HA3 -0.216 3.745 3.960 0.001 0.000 0.263 132 G C 0.274 175.150 174.900 -0.039 0.000 0.977 132 G CA 0.607 45.687 45.100 -0.034 0.000 0.659 132 G HN 0.925 nan 8.290 nan 0.000 0.533 133 T N -1.570 112.961 114.554 -0.039 0.000 2.925 133 T HA 0.701 5.052 4.350 0.001 0.000 0.285 133 T C -2.418 172.248 174.700 -0.057 0.000 1.021 133 T CA -1.771 60.302 62.100 -0.045 0.000 1.042 133 T CB 2.646 71.493 68.868 -0.036 0.000 1.037 133 T HN 0.019 nan 8.240 nan 0.000 0.481 134 P HA 0.328 nan 4.420 nan 0.000 0.265 134 P C -0.331 176.923 177.300 -0.076 0.000 1.187 134 P CA -0.221 62.827 63.100 -0.088 0.000 0.766 134 P CB 0.038 31.675 31.700 -0.104 0.000 0.820 135 A N 5.311 128.079 122.820 -0.086 0.000 2.313 135 A HA 0.349 4.670 4.320 0.001 0.000 0.261 135 A C -1.412 176.136 177.584 -0.060 0.000 1.090 135 A CA -1.002 50.995 52.037 -0.067 0.000 0.807 135 A CB -0.727 18.228 19.000 -0.075 0.000 1.055 135 A HN 0.393 nan 8.150 nan 0.000 0.492 136 P HA -0.095 nan 4.420 nan 0.000 0.226 136 P C 0.575 177.861 177.300 -0.024 0.000 1.153 136 P CA 1.157 64.246 63.100 -0.020 0.000 0.777 136 P CB -0.069 31.632 31.700 0.002 0.000 0.794 137 N N -1.013 117.661 118.700 -0.044 0.000 2.515 137 N HA -0.060 4.681 4.740 0.001 0.000 0.191 137 N C 0.773 176.218 175.510 -0.107 0.000 1.182 137 N CA 0.931 53.938 53.050 -0.071 0.000 0.879 137 N CB -1.638 36.794 38.487 -0.091 0.000 0.984 137 N HN 0.136 nan 8.380 nan 0.000 0.453 138 T N -3.830 110.661 114.554 -0.106 0.000 3.144 138 T HA 0.209 4.560 4.350 0.001 0.000 0.249 138 T C 0.023 174.657 174.700 -0.110 0.000 1.089 138 T CA -0.218 61.796 62.100 -0.143 0.000 0.989 138 T CB -0.087 68.677 68.868 -0.173 0.000 0.992 138 T HN 0.183 nan 8.240 nan 0.000 0.540 139 E N 2.100 122.275 120.200 -0.041 0.000 2.293 139 E HA 0.417 4.768 4.350 0.001 0.000 0.270 139 E C -2.830 173.821 176.600 0.086 0.000 0.879 139 E CA -2.814 53.600 56.400 0.023 0.000 0.756 139 E CB 2.484 32.196 29.700 0.020 0.000 1.208 139 E HN 0.130 nan 8.360 nan 0.000 0.428 140 P HA 0.171 nan 4.420 nan 0.000 0.273 140 P C 0.242 177.621 177.300 0.131 0.000 1.250 140 P CA 0.270 63.497 63.100 0.212 0.000 0.793 140 P CB 0.546 32.411 31.700 0.275 0.000 1.011 141 G N 0.797 109.667 108.800 0.117 0.000 2.781 141 G HA2 -0.227 3.734 3.960 0.001 0.000 0.683 141 G HA3 -0.227 3.734 3.960 0.001 0.000 0.683 141 G C 0.294 175.240 174.900 0.075 0.000 1.390 141 G CA -0.288 44.861 45.100 0.082 0.000 0.850 141 G HN 0.523 nan 8.290 nan 0.000 0.557 142 R N 0.708 121.244 120.500 0.060 0.000 2.290 142 R HA 0.419 4.760 4.340 0.001 0.000 0.197 142 R C 2.235 178.563 176.300 0.046 0.000 0.913 142 R CA 1.467 57.601 56.100 0.056 0.000 1.040 142 R CB 0.069 30.398 30.300 0.048 0.000 0.992 142 R HN 2.097 nan 8.270 nan 0.000 0.500 143 G N 0.495 109.320 108.800 0.041 0.000 2.660 143 G HA2 -0.436 3.525 3.960 0.001 0.000 0.321 143 G HA3 -0.436 3.525 3.960 0.001 0.000 0.321 143 G C 1.142 176.059 174.900 0.028 0.000 1.246 143 G CA 0.254 45.373 45.100 0.032 0.000 1.000 143 G HN 0.402 nan 8.290 nan 0.000 0.550 144 G N -0.193 108.623 108.800 0.026 0.000 2.529 144 G HA2 0.116 4.076 3.960 0.001 0.000 0.219 144 G HA3 0.116 4.076 3.960 0.001 0.000 0.219 144 G C 0.994 175.908 174.900 0.025 0.000 1.177 144 G CA 2.001 47.115 45.100 0.023 0.000 0.773 144 G HN 1.440 nan 8.290 nan 0.000 0.573 145 V N 1.307 121.239 119.914 0.030 0.000 2.498 145 V HA 0.211 4.332 4.120 0.001 0.000 0.279 145 V C 0.178 176.288 176.094 0.026 0.000 1.048 145 V CA -0.960 61.358 62.300 0.030 0.000 0.967 145 V CB 1.697 33.544 31.823 0.040 0.000 0.988 145 V HN 0.235 nan 8.190 nan 0.000 0.473 146 E N 5.289 125.500 120.200 0.019 0.000 2.415 146 E HA 0.149 4.500 4.350 0.001 0.000 0.263 146 E C -2.234 174.370 176.600 0.007 0.000 0.995 146 E CA -1.452 54.955 56.400 0.011 0.000 0.915 146 E CB 0.769 30.473 29.700 0.006 0.000 0.951 146 E HN 0.434 nan 8.360 nan 0.000 0.449 147 P HA -0.091 nan 4.420 nan 0.000 0.265 147 P C 0.100 177.378 177.300 -0.037 0.000 1.187 147 P CA 0.111 63.201 63.100 -0.017 0.000 0.766 147 P CB 0.358 32.041 31.700 -0.029 0.000 0.820 148 N N 3.357 122.024 118.700 -0.056 0.000 2.429 148 N HA -0.080 4.660 4.740 0.001 0.000 0.271 148 N C 0.992 176.422 175.510 -0.133 0.000 1.272 148 N CA 0.319 53.316 53.050 -0.089 0.000 0.921 148 N CB 0.408 38.827 38.487 -0.114 0.000 1.128 148 N HN 0.213 nan 8.380 nan 0.000 0.481 149 K N 2.764 123.105 120.400 -0.098 0.000 2.148 149 K HA -0.107 4.214 4.320 0.001 0.000 0.204 149 K C 0.589 177.104 176.600 -0.142 0.000 1.050 149 K CA 0.955 57.182 56.287 -0.100 0.000 0.942 149 K CB 0.200 32.661 32.500 -0.065 0.000 0.724 149 K HN 0.563 nan 8.250 nan 0.000 0.446 150 D N 0.837 121.142 120.400 -0.157 0.000 2.144 150 D HA -0.091 4.550 4.640 0.001 0.000 0.200 150 D C 2.076 178.186 176.300 -0.317 0.000 0.978 150 D CA 0.675 54.564 54.000 -0.186 0.000 0.833 150 D CB -0.099 40.620 40.800 -0.135 0.000 0.961 150 D HN -0.084 nan 8.370 nan 0.000 0.470 151 V N 1.686 121.327 119.914 -0.454 0.000 2.270 151 V HA -0.204 3.916 4.120 0.001 0.000 0.245 151 V C 2.633 178.375 176.094 -0.586 0.000 1.043 151 V CA 1.662 63.514 62.300 -0.747 0.000 1.014 151 V CB -0.924 30.275 31.823 -1.040 0.000 0.645 151 V HN 0.161 nan 8.190 nan 0.000 0.447 152 A N 0.217 122.838 122.820 -0.332 0.000 1.958 152 A HA -0.237 4.084 4.320 0.001 0.000 0.221 152 A C 2.221 179.726 177.584 -0.132 0.000 1.178 152 A CA 2.395 54.331 52.037 -0.170 0.000 0.642 152 A CB -0.703 18.232 19.000 -0.109 0.000 0.816 152 A HN 0.665 nan 8.150 nan 0.000 0.453 153 A N -1.111 121.608 122.820 -0.167 0.000 2.238 153 A HA 0.436 4.757 4.320 0.001 0.000 0.208 153 A C 0.824 178.334 177.584 -0.123 0.000 1.177 153 A CA -0.289 51.681 52.037 -0.112 0.000 0.804 153 A CB -0.389 18.551 19.000 -0.100 0.000 0.823 153 A HN 0.439 nan 8.150 nan 0.000 0.482 154 L N 2.198 123.270 121.223 -0.251 0.000 2.540 154 L HA 0.127 4.468 4.340 0.001 0.000 0.276 154 L C -1.687 175.219 176.870 0.060 0.000 1.212 154 L CA -1.200 53.511 54.840 -0.214 0.000 0.893 154 L CB 0.389 42.095 42.059 -0.588 0.000 1.138 154 L HN 0.240 nan 8.230 nan 0.000 0.491 155 P HA 0.189 nan 4.420 nan 0.000 0.279 155 P C -1.052 176.501 177.300 0.422 0.000 1.276 155 P CA -0.741 62.504 63.100 0.242 0.000 0.801 155 P CB 0.867 32.641 31.700 0.124 0.000 1.127 156 A N 0.624 123.632 122.820 0.314 0.000 2.438 156 A HA 0.256 4.577 4.320 0.001 0.000 0.280 156 A C -0.961 176.799 177.584 0.293 0.000 1.160 156 A CA 0.004 52.114 52.037 0.121 0.000 0.821 156 A CB -1.091 17.646 19.000 -0.438 0.000 1.101 156 A HN 0.625 nan 8.150 nan 0.000 0.515 157 W N 3.015 124.401 121.300 0.143 0.000 2.642 157 W HA 0.520 5.181 4.660 0.001 0.000 0.304 157 W C -0.623 175.971 176.519 0.126 0.000 1.023 157 W CA -0.213 57.200 57.345 0.114 0.000 1.290 157 W CB 1.176 30.704 29.460 0.113 0.000 1.190 157 W HN 0.633 nan 8.180 nan 0.000 0.374 158 S N 3.945 119.554 115.700 -0.153 0.000 2.548 158 S HA 0.846 5.317 4.470 0.001 0.000 0.286 158 S C -1.966 172.494 174.600 -0.233 0.000 1.098 158 S CA -0.608 57.502 58.200 -0.149 0.000 0.930 158 S CB 1.636 64.835 63.200 -0.000 0.000 1.070 158 S HN 0.523 nan 8.310 nan 0.000 0.480 159 V N 3.326 123.110 119.914 -0.216 0.000 2.841 159 V HA 0.737 4.857 4.120 0.001 0.000 0.310 159 V C -0.857 175.137 176.094 -0.168 0.000 1.090 159 V CA -0.185 62.003 62.300 -0.186 0.000 0.930 159 V CB 2.384 34.066 31.823 -0.235 0.000 1.014 159 V HN 0.944 nan 8.190 nan 0.000 0.425 160 T N 4.720 119.086 114.554 -0.314 0.000 2.794 160 T HA 0.487 4.838 4.350 0.001 0.000 0.280 160 T C -1.222 173.202 174.700 -0.460 0.000 0.987 160 T CA 0.006 61.775 62.100 -0.551 0.000 0.993 160 T CB 0.541 68.581 68.868 -1.380 0.000 0.939 160 T HN 0.871 nan 8.240 nan 0.000 0.449 161 H N 2.817 121.604 119.070 -0.471 0.000 2.481 161 H HA 0.565 5.122 4.556 0.001 0.000 0.333 161 H C -0.943 174.098 175.328 -0.477 0.000 1.066 161 H CA -1.115 54.713 56.048 -0.367 0.000 1.209 161 H CB 0.736 30.382 29.762 -0.195 0.000 1.445 161 H HN 0.376 nan 8.280 nan 0.000 0.488 162 L N 6.369 127.014 121.223 -0.963 0.000 2.302 162 L HA 0.214 4.555 4.340 0.001 0.000 0.285 162 L C -0.558 175.604 176.870 -1.180 0.000 1.090 162 L CA -0.251 54.054 54.840 -0.891 0.000 0.866 162 L CB -0.650 40.908 42.059 -0.835 0.000 1.244 162 L HN 0.843 nan 8.230 nan 0.000 0.435 163 H N 4.853 123.254 119.070 -1.115 0.000 3.082 163 H HA 0.441 4.997 4.556 0.001 0.000 0.275 163 H C 1.208 176.214 175.328 -0.536 0.000 1.032 163 H CA 1.178 56.791 56.048 -0.725 0.000 1.477 163 H CB 0.368 29.757 29.762 -0.622 0.000 1.520 163 H HN 0.915 nan 8.280 nan 0.000 0.521 164 G N 2.710 111.190 108.800 -0.534 0.000 2.307 164 G HA2 -0.240 3.721 3.960 0.001 0.000 0.210 164 G HA3 -0.240 3.721 3.960 0.001 0.000 0.210 164 G C 0.408 174.445 174.900 -1.439 0.000 1.005 164 G CA -0.212 44.458 45.100 -0.717 0.000 0.634 164 G HN 0.951 nan 8.290 nan 0.000 0.496 165 A N 0.604 122.385 122.820 -1.732 0.000 2.511 165 A HA 0.527 4.848 4.320 0.001 0.000 0.242 165 A C 0.623 177.748 177.584 -0.764 0.000 1.069 165 A CA 1.184 52.112 52.037 -1.848 0.000 0.763 165 A CB 0.287 18.626 19.000 -1.102 0.000 1.001 165 A HN 0.772 nan 8.150 nan 0.000 0.498 166 Q N 1.626 121.152 119.800 -0.457 0.000 2.441 166 Q HA 0.430 4.770 4.340 0.001 0.000 0.234 166 Q C -0.366 175.637 176.000 0.006 0.000 1.078 166 Q CA 0.124 55.864 55.803 -0.106 0.000 0.907 166 Q CB 0.362 29.152 28.738 0.088 0.000 1.269 166 Q HN 0.809 nan 8.270 nan 0.000 0.502 167 T N 1.559 116.145 114.554 0.054 0.000 2.802 167 T HA 0.590 4.941 4.350 0.001 0.000 0.311 167 T C -0.480 174.384 174.700 0.273 0.000 1.405 167 T CA -0.082 62.103 62.100 0.142 0.000 1.016 167 T CB 1.178 70.145 68.868 0.166 0.000 1.352 167 T HN 0.670 nan 8.240 nan 0.000 0.498 168 G N 0.177 109.102 108.800 0.207 0.000 2.594 168 G HA2 0.431 4.392 3.960 0.001 0.000 0.243 168 G HA3 0.431 4.392 3.960 0.001 0.000 0.243 168 G C 1.303 176.234 174.900 0.052 0.000 1.229 168 G CA 0.116 45.354 45.100 0.230 0.000 0.843 168 G HN 1.055 nan 8.290 nan 0.000 0.578 169 G N 0.218 108.787 108.800 -0.385 0.000 2.462 169 G HA2 -0.060 3.901 3.960 0.001 0.000 0.220 169 G HA3 -0.060 3.901 3.960 0.001 0.000 0.220 169 G C 1.724 176.463 174.900 -0.267 0.000 1.121 169 G CA 1.324 45.988 45.100 -0.727 0.000 0.758 169 G HN 0.963 nan 8.290 nan 0.000 0.559 170 G N 0.481 109.184 108.800 -0.162 0.000 2.479 170 G HA2 -0.185 3.775 3.960 0.001 0.000 0.220 170 G HA3 -0.185 3.775 3.960 0.001 0.000 0.220 170 G C 1.493 176.364 174.900 -0.048 0.000 1.115 170 G CA 0.902 45.945 45.100 -0.094 0.000 0.757 170 G HN 0.488 nan 8.290 nan 0.000 0.560 171 N N -0.135 118.548 118.700 -0.029 0.000 2.184 171 N HA 0.032 4.772 4.740 0.001 0.000 0.206 171 N C 0.785 176.336 175.510 0.069 0.000 1.151 171 N CA 0.221 53.249 53.050 -0.036 0.000 0.878 171 N CB 0.545 38.950 38.487 -0.137 0.000 1.014 171 N HN 0.222 nan 8.380 nan 0.000 0.512 172 D N 0.556 121.021 120.400 0.108 0.000 2.355 172 D HA 0.076 4.717 4.640 0.001 0.000 0.218 172 D C 0.696 177.145 176.300 0.248 0.000 1.004 172 D CA 0.381 54.524 54.000 0.238 0.000 0.880 172 D CB 0.034 41.021 40.800 0.313 0.000 0.911 172 D HN 0.274 nan 8.370 nan 0.000 0.528 173 G N 1.014 109.884 108.800 0.117 0.000 2.326 173 G HA2 -0.275 3.685 3.960 0.001 0.000 0.286 173 G HA3 -0.275 3.685 3.960 0.001 0.000 0.286 173 G C -0.021 174.848 174.900 -0.052 0.000 1.096 173 G CA -0.100 45.016 45.100 0.026 0.000 1.003 173 G HN 0.366 nan 8.290 nan 0.000 0.503 174 W N 0.489 121.682 121.300 -0.178 0.000 2.476 174 W HA 0.176 4.837 4.660 0.001 0.000 0.338 174 W C 1.076 177.447 176.519 -0.245 0.000 1.328 174 W CA 0.315 57.526 57.345 -0.224 0.000 1.300 174 W CB 0.369 29.734 29.460 -0.158 0.000 1.252 174 W HN 0.661 nan 8.180 nan 0.000 0.568 175 A N 4.607 126.799 122.820 -1.048 0.000 1.948 175 A HA -0.276 4.045 4.320 0.001 0.000 0.220 175 A C 1.730 178.992 177.584 -0.537 0.000 1.177 175 A CA 2.072 53.645 52.037 -0.775 0.000 0.636 175 A CB -0.448 18.042 19.000 -0.850 0.000 0.815 175 A HN 0.715 nan 8.150 nan 0.000 0.449 176 D N -0.248 119.862 120.400 -0.483 0.000 2.219 176 D HA -0.079 4.561 4.640 0.001 0.000 0.205 176 D C 0.659 177.018 176.300 0.098 0.000 0.970 176 D CA 0.875 54.888 54.000 0.022 0.000 0.851 176 D CB -0.447 40.554 40.800 0.335 0.000 0.943 176 D HN 0.641 nan 8.370 nan 0.000 0.488 177 N N 0.527 119.255 118.700 0.047 0.000 2.389 177 N HA 0.242 4.983 4.740 0.001 0.000 0.237 177 N C -0.009 175.418 175.510 -0.137 0.000 1.148 177 N CA -0.545 52.542 53.050 0.062 0.000 0.854 177 N CB 0.709 39.286 38.487 0.149 0.000 1.115 177 N HN 0.015 nan 8.380 nan 0.000 0.492 178 A N 0.877 123.409 122.820 -0.480 0.000 2.425 178 A HA 0.349 4.670 4.320 0.001 0.000 0.242 178 A C 0.479 177.803 177.584 -0.433 0.000 1.077 178 A CA -0.274 51.300 52.037 -0.771 0.000 0.781 178 A CB 0.326 18.281 19.000 -1.743 0.000 1.020 178 A HN 0.123 nan 8.150 nan 0.000 0.494 179 V N -0.162 119.614 119.914 -0.230 0.000 2.715 179 V HA 0.870 4.991 4.120 0.001 0.000 0.310 179 V C 0.583 176.787 176.094 0.183 0.000 1.054 179 V CA -0.178 62.157 62.300 0.057 0.000 0.928 179 V CB 1.060 32.907 31.823 0.041 0.000 1.007 179 V HN 1.296 nan 8.190 nan 0.000 0.437 180 G N 1.374 110.336 108.800 0.270 0.000 2.588 180 G HA2 0.453 4.413 3.960 0.001 0.000 0.281 180 G HA3 0.453 4.413 3.960 0.001 0.000 0.281 180 G C -0.510 174.481 174.900 0.151 0.000 1.236 180 G CA -0.778 44.475 45.100 0.254 0.000 0.969 180 G HN 0.975 nan 8.290 nan 0.000 0.504 181 F N 0.555 120.531 119.950 0.043 0.000 2.579 181 F HA 0.284 4.812 4.527 0.001 0.000 0.397 181 F C 1.455 177.265 175.800 0.017 0.000 1.027 181 F CA 1.488 59.489 58.000 0.002 0.000 1.217 181 F CB 0.235 39.231 39.000 -0.007 0.000 0.986 181 F HN 1.113 nan 8.300 nan 0.000 0.551 182 G N 3.415 111.668 108.800 -0.912 0.000 2.217 182 G HA2 -0.237 3.723 3.960 0.001 0.000 0.246 182 G HA3 -0.237 3.723 3.960 0.001 0.000 0.246 182 G C -0.130 174.575 174.900 -0.326 0.000 0.990 182 G CA 0.123 44.730 45.100 -0.822 0.000 0.627 182 G HN 0.700 nan 8.290 nan 0.000 0.522 183 D N 0.702 120.994 120.400 -0.180 0.000 2.268 183 D HA 0.747 5.387 4.640 0.001 0.000 0.249 183 D C 0.430 176.713 176.300 -0.029 0.000 1.008 183 D CA 0.672 54.630 54.000 -0.071 0.000 0.939 183 D CB 1.670 42.464 40.800 -0.010 0.000 1.170 183 D HN 0.700 nan 8.370 nan 0.000 0.468 184 A N 0.775 123.593 122.820 -0.003 0.000 2.356 184 A HA 0.478 4.799 4.320 0.001 0.000 0.323 184 A C -0.687 176.935 177.584 0.064 0.000 1.119 184 A CA -0.677 51.380 52.037 0.034 0.000 0.790 184 A CB 1.579 20.585 19.000 0.009 0.000 1.273 184 A HN 0.445 nan 8.150 nan 0.000 0.452 185 Q N 1.660 121.539 119.800 0.132 0.000 2.325 185 Q HA 0.589 4.929 4.340 0.001 0.000 0.262 185 Q C -1.756 174.354 176.000 0.183 0.000 0.968 185 Q CA -0.373 55.527 55.803 0.162 0.000 0.877 185 Q CB 0.817 29.686 28.738 0.219 0.000 1.253 185 Q HN 0.716 nan 8.270 nan 0.000 0.448 186 L N 2.596 123.872 121.223 0.088 0.000 2.282 186 L HA 0.506 4.846 4.340 0.001 0.000 0.288 186 L C -0.431 176.437 176.870 -0.003 0.000 1.033 186 L CA -0.572 54.277 54.840 0.016 0.000 0.807 186 L CB 1.861 43.906 42.059 -0.023 0.000 1.209 186 L HN 0.556 nan 8.230 nan 0.000 0.423 187 S N 2.104 117.756 115.700 -0.080 0.000 2.647 187 S HA 0.276 4.747 4.470 0.001 0.000 0.300 187 S C -0.726 173.583 174.600 -0.485 0.000 1.129 187 S CA -0.640 57.415 58.200 -0.241 0.000 1.029 187 S CB 1.924 65.079 63.200 -0.076 0.000 1.007 187 S HN 0.604 nan 8.310 nan 0.000 0.484 188 E N 2.633 122.566 120.200 -0.445 0.000 2.175 188 E HA 0.372 4.723 4.350 0.001 0.000 0.278 188 E C -1.635 174.670 176.600 -0.491 0.000 0.969 188 E CA -0.533 55.644 56.400 -0.373 0.000 0.796 188 E CB 0.636 30.248 29.700 -0.147 0.000 1.104 188 E HN 0.570 nan 8.360 nan 0.000 0.395 189 Y N 4.955 125.305 120.300 0.083 0.000 2.447 189 Y HA 0.283 4.833 4.550 0.001 0.000 0.325 189 Y C -1.942 174.041 175.900 0.139 0.000 0.976 189 Y CA -2.604 55.565 58.100 0.114 0.000 1.280 189 Y CB 1.628 40.190 38.460 0.170 0.000 1.104 189 Y HN 0.577 nan 8.280 nan 0.000 0.486 190 P HA -0.145 nan 4.420 nan 0.000 0.222 190 P C -0.470 176.966 177.300 0.227 0.000 1.147 190 P CA 1.318 64.527 63.100 0.182 0.000 0.790 190 P CB 0.119 31.901 31.700 0.138 0.000 0.780 191 N N -1.890 117.008 118.700 0.329 0.000 2.735 191 N HA -0.194 4.547 4.740 0.001 0.000 0.248 191 N C -0.456 175.212 175.510 0.263 0.000 1.083 191 N CA 0.324 53.590 53.050 0.359 0.000 0.703 191 N CB -1.601 37.065 38.487 0.299 0.000 1.005 191 N HN 0.193 nan 8.380 nan 0.000 0.550 192 D N 0.636 121.188 120.400 0.254 0.000 2.631 192 D HA 0.095 4.735 4.640 0.001 0.000 0.227 192 D C -0.724 175.711 176.300 0.227 0.000 1.146 192 D CA 0.331 54.438 54.000 0.179 0.000 1.009 192 D CB -0.067 40.806 40.800 0.121 0.000 1.057 192 D HN 0.392 nan 8.370 nan 0.000 0.509 193 H N 1.102 120.230 119.070 0.098 0.000 3.079 193 H HA 0.155 4.712 4.556 0.001 0.000 0.356 193 H C -0.658 174.661 175.328 -0.015 0.000 1.221 193 H CA -0.556 55.540 56.048 0.080 0.000 1.185 193 H CB 1.640 31.558 29.762 0.260 0.000 1.882 193 H HN 0.307 nan 8.280 nan 0.000 0.543 194 Q N 1.998 121.606 119.800 -0.320 0.000 2.535 194 Q HA 0.498 4.839 4.340 0.001 0.000 0.228 194 Q C -0.186 175.820 176.000 0.010 0.000 1.062 194 Q CA -0.379 55.345 55.803 -0.132 0.000 0.967 194 Q CB 0.670 29.294 28.738 -0.191 0.000 1.273 194 Q HN 0.554 nan 8.270 nan 0.000 0.554 195 A N 0.856 123.663 122.820 -0.021 0.000 2.540 195 A HA 0.368 4.688 4.320 0.001 0.000 0.239 195 A C 0.173 177.731 177.584 -0.043 0.000 1.061 195 A CA 0.948 52.957 52.037 -0.045 0.000 0.758 195 A CB 0.226 19.208 19.000 -0.030 0.000 0.991 195 A HN 0.735 nan 8.150 nan 0.000 0.502 196 T N 0.293 114.759 114.554 -0.147 0.000 2.663 196 T HA 0.354 4.705 4.350 0.001 0.000 0.305 196 T C -1.591 172.983 174.700 -0.211 0.000 1.660 196 T CA -0.504 61.511 62.100 -0.142 0.000 0.976 196 T CB 0.949 69.764 68.868 -0.087 0.000 1.705 196 T HN 0.863 nan 8.240 nan 0.000 0.494 197 Q N 1.612 121.363 119.800 -0.081 0.000 2.368 197 Q HA 0.434 4.775 4.340 0.001 0.000 0.256 197 Q C -1.143 174.974 176.000 0.195 0.000 0.980 197 Q CA -0.704 55.116 55.803 0.028 0.000 0.887 197 Q CB 0.564 29.347 28.738 0.076 0.000 1.221 197 Q HN 0.497 nan 8.270 nan 0.000 0.458 198 W N 3.933 125.350 121.300 0.195 0.000 2.481 198 W HA 0.534 5.194 4.660 0.001 0.000 0.369 198 W C -0.188 176.540 176.519 0.347 0.000 1.235 198 W CA -0.908 56.549 57.345 0.187 0.000 1.344 198 W CB 0.843 30.280 29.460 -0.038 0.000 1.360 198 W HN 0.620 nan 8.180 nan 0.000 0.658 199 W N 1.638 123.097 121.300 0.265 0.000 3.118 199 W HA 0.537 5.198 4.660 0.001 0.000 0.328 199 W C -2.191 174.417 176.519 0.148 0.000 1.239 199 W CA -2.124 55.330 57.345 0.182 0.000 1.176 199 W CB -0.157 29.348 29.460 0.075 0.000 1.433 199 W HN 0.545 nan 8.180 nan 0.000 0.562 200 Y N 0.649 120.933 120.300 -0.028 0.000 2.446 200 Y HA 0.784 5.335 4.550 0.001 0.000 0.345 200 Y C -0.699 175.063 175.900 -0.230 0.000 0.984 200 Y CA -1.191 56.674 58.100 -0.391 0.000 1.058 200 Y CB 1.652 39.870 38.460 -0.402 0.000 1.220 200 Y HN 0.709 nan 8.280 nan 0.000 0.455 201 H N -1.213 117.712 119.070 -0.241 0.000 3.014 201 H HA 0.320 4.877 4.556 0.001 0.000 0.337 201 H C -1.653 173.677 175.328 0.004 0.000 1.320 201 H CA -1.204 54.807 56.048 -0.061 0.000 1.128 201 H CB 1.124 30.740 29.762 -0.242 0.000 1.862 201 H HN 0.813 nan 8.280 nan 0.000 0.536 202 D N -0.263 120.290 120.400 0.256 0.000 2.423 202 D HA -0.067 4.574 4.640 0.001 0.000 0.238 202 D C -0.280 176.110 176.300 0.150 0.000 1.142 202 D CA 0.490 54.576 54.000 0.143 0.000 0.884 202 D CB 0.467 41.348 40.800 0.135 0.000 1.199 202 D HN 0.750 nan 8.370 nan 0.000 0.438 203 H N 1.419 120.446 119.070 -0.072 0.000 2.985 203 H HA 0.252 4.808 4.556 0.001 0.000 0.246 203 H C -0.649 174.524 175.328 -0.258 0.000 1.181 203 H CA -0.202 55.760 56.048 -0.143 0.000 0.972 203 H CB 0.249 29.904 29.762 -0.180 0.000 2.016 203 H HN 0.460 nan 8.280 nan 0.000 0.672 204 A N 1.579 124.334 122.820 -0.108 0.000 2.567 204 A HA 0.101 4.422 4.320 0.001 0.000 0.240 204 A C 0.798 178.287 177.584 -0.157 0.000 1.053 204 A CA -0.157 51.712 52.037 -0.280 0.000 0.755 204 A CB -0.262 18.588 19.000 -0.249 0.000 0.978 204 A HN 0.471 nan 8.150 nan 0.000 0.507 205 M N 3.381 122.871 119.600 -0.183 0.000 2.284 205 M HA 0.072 4.553 4.480 0.001 0.000 0.351 205 M C 0.814 177.150 176.300 0.059 0.000 1.443 205 M CA 1.177 56.422 55.300 -0.092 0.000 1.031 205 M CB -0.712 31.864 32.600 -0.041 0.000 1.893 205 M HN 0.853 nan 8.290 nan 0.000 0.456 206 N N 2.393 121.049 118.700 -0.074 0.000 2.951 206 N HA -0.264 4.477 4.740 0.001 0.000 0.218 206 N C 0.360 175.842 175.510 -0.047 0.000 0.858 206 N CA 2.181 55.202 53.050 -0.049 0.000 1.050 206 N CB -1.676 36.835 38.487 0.040 0.000 1.012 206 N HN 0.866 nan 8.380 nan 0.000 0.611 207 I N -4.106 116.487 120.570 0.038 0.000 4.050 207 I HA 0.322 4.493 4.170 0.001 0.000 0.327 207 I C 1.189 177.307 176.117 0.002 0.000 1.473 207 I CA -0.210 61.158 61.300 0.114 0.000 1.124 207 I CB 0.436 38.665 38.000 0.382 0.000 1.129 207 I HN -0.234 nan 8.210 nan 0.000 0.428 208 T N 2.342 116.821 114.554 -0.125 0.000 2.759 208 T HA -0.202 4.148 4.350 0.001 0.000 0.269 208 T C 1.998 176.568 174.700 -0.216 0.000 1.042 208 T CA 2.340 64.353 62.100 -0.146 0.000 1.140 208 T CB -0.358 68.365 68.868 -0.241 0.000 0.864 208 T HN 0.604 nan 8.240 nan 0.000 0.455 209 R N -0.192 120.053 120.500 -0.425 0.000 2.193 209 R HA -0.106 4.234 4.340 0.001 0.000 0.229 209 R C 1.828 177.823 176.300 -0.508 0.000 1.110 209 R CA 1.298 57.072 56.100 -0.543 0.000 0.988 209 R CB -0.351 29.456 30.300 -0.821 0.000 0.871 209 R HN 0.448 nan 8.270 nan 0.000 0.458 210 W N 0.759 121.966 121.300 -0.155 0.000 2.630 210 W HA 0.204 4.865 4.660 0.001 0.000 0.275 210 W C 1.522 178.044 176.519 0.004 0.000 1.192 210 W CA -0.326 56.964 57.345 -0.091 0.000 1.410 210 W CB -0.873 28.579 29.460 -0.013 0.000 1.075 210 W HN 0.111 nan 8.180 nan 0.000 0.581 211 N N 0.938 119.816 118.700 0.297 0.000 2.104 211 N HA -0.139 4.602 4.740 0.001 0.000 0.190 211 N C 1.783 177.374 175.510 0.135 0.000 1.024 211 N CA 1.541 54.735 53.050 0.241 0.000 0.853 211 N CB -0.803 37.841 38.487 0.262 0.000 1.008 211 N HN -0.140 nan 8.380 nan 0.000 0.424 212 V N 1.138 121.099 119.914 0.078 0.000 2.307 212 V HA -0.160 3.961 4.120 0.001 0.000 0.245 212 V C 2.325 178.442 176.094 0.037 0.000 1.045 212 V CA 1.428 63.774 62.300 0.075 0.000 1.024 212 V CB -0.478 31.335 31.823 -0.016 0.000 0.651 212 V HN 0.322 nan 8.190 nan 0.000 0.449 213 M N 0.491 120.065 119.600 -0.042 0.000 2.149 213 M HA -0.173 4.307 4.480 0.001 0.000 0.261 213 M C 2.065 178.323 176.300 -0.070 0.000 1.064 213 M CA 2.136 57.384 55.300 -0.086 0.000 1.102 213 M CB -0.330 32.195 32.600 -0.125 0.000 1.369 213 M HN 0.323 nan 8.290 nan 0.000 0.408 214 A N -0.322 122.434 122.820 -0.108 0.000 2.076 214 A HA 0.050 4.370 4.320 0.001 0.000 0.220 214 A C 1.733 179.253 177.584 -0.106 0.000 1.160 214 A CA 1.514 53.391 52.037 -0.267 0.000 0.653 214 A CB -0.982 17.709 19.000 -0.515 0.000 0.801 214 A HN 0.898 nan 8.150 nan 0.000 0.455 215 G N -2.469 106.384 108.800 0.089 0.000 2.200 215 G HA2 -0.078 3.882 3.960 0.001 0.000 0.145 215 G HA3 -0.078 3.882 3.960 0.001 0.000 0.145 215 G C 0.004 175.026 174.900 0.204 0.000 1.021 215 G CA -0.106 45.121 45.100 0.212 0.000 0.720 215 G HN 0.358 nan 8.290 nan 0.000 0.494 216 L N 1.936 123.300 121.223 0.235 0.000 2.422 216 L HA 0.571 4.912 4.340 0.001 0.000 0.256 216 L C 0.135 177.320 176.870 0.525 0.000 1.202 216 L CA -0.914 53.989 54.840 0.105 0.000 1.119 216 L CB -0.542 41.489 42.059 -0.047 0.000 1.383 216 L HN 0.419 nan 8.230 nan 0.000 0.411 217 Y N -0.688 119.809 120.300 0.328 0.000 2.552 217 Y HA 0.901 5.452 4.550 0.002 0.000 0.337 217 Y C -0.241 175.667 175.900 0.013 0.000 1.094 217 Y CA -1.075 57.165 58.100 0.233 0.000 1.028 217 Y CB 1.609 40.260 38.460 0.318 0.000 1.321 217 Y HN 0.147 nan 8.280 nan 0.000 0.456 218 G N 0.293 108.828 108.800 -0.443 0.000 2.608 218 G HA2 0.507 4.468 3.960 0.001 0.000 0.291 218 G HA3 0.507 4.468 3.960 0.001 0.000 0.291 218 G C -1.890 172.785 174.900 -0.376 0.000 1.425 218 G CA -0.621 44.104 45.100 -0.625 0.000 0.787 218 G HN 0.786 nan 8.290 nan 0.000 0.484 219 T N -1.539 113.057 114.554 0.070 0.000 2.926 219 T HA 0.738 5.088 4.350 0.001 0.000 0.289 219 T C -1.930 173.079 174.700 0.515 0.000 1.054 219 T CA -0.598 61.703 62.100 0.336 0.000 1.015 219 T CB 1.506 70.519 68.868 0.241 0.000 1.167 219 T HN 0.837 nan 8.240 nan 0.000 0.526 220 Y N 2.232 122.714 120.300 0.304 0.000 2.287 220 Y HA 0.533 5.084 4.550 0.002 0.000 0.321 220 Y C -1.877 174.079 175.900 0.092 0.000 1.173 220 Y CA -0.917 57.327 58.100 0.240 0.000 1.124 220 Y CB 0.848 39.505 38.460 0.328 0.000 1.201 220 Y HN 0.524 nan 8.280 nan 0.000 0.421 221 L N 7.014 128.244 121.223 0.011 0.000 2.307 221 L HA 0.685 5.026 4.340 0.001 0.000 0.284 221 L C -0.762 176.012 176.870 -0.160 0.000 1.023 221 L CA -1.348 53.463 54.840 -0.048 0.000 0.810 221 L CB 1.639 43.673 42.059 -0.041 0.000 1.231 221 L HN 0.347 nan 8.230 nan 0.000 0.423 222 V N 3.622 123.412 119.914 -0.208 0.000 2.427 222 V HA 0.494 4.615 4.120 0.001 0.000 0.286 222 V C 0.086 176.099 176.094 -0.136 0.000 1.034 222 V CA -0.786 61.388 62.300 -0.210 0.000 0.893 222 V CB 1.466 33.074 31.823 -0.359 0.000 0.982 222 V HN 0.644 nan 8.190 nan 0.000 0.452 223 R N 3.445 123.889 120.500 -0.092 0.000 2.668 223 R HA 0.717 5.057 4.340 0.001 0.000 0.279 223 R C -0.829 175.446 176.300 -0.042 0.000 0.976 223 R CA -0.719 55.345 56.100 -0.060 0.000 0.978 223 R CB 1.831 32.100 30.300 -0.051 0.000 1.133 223 R HN 0.987 nan 8.270 nan 0.000 0.484 224 D N -1.533 118.849 120.400 -0.029 0.000 2.664 224 D HA 0.186 4.826 4.640 0.001 0.000 0.292 224 D C -0.274 176.018 176.300 -0.013 0.000 1.214 224 D CA -0.581 53.407 54.000 -0.019 0.000 0.932 224 D CB 0.384 41.173 40.800 -0.018 0.000 1.420 224 D HN 0.129 nan 8.370 nan 0.000 0.471 225 D N -0.433 119.961 120.400 -0.010 0.000 2.183 225 D HA -0.106 4.535 4.640 0.001 0.000 0.203 225 D C 1.371 177.669 176.300 -0.005 0.000 0.969 225 D CA 0.925 54.920 54.000 -0.007 0.000 0.842 225 D CB 0.161 40.957 40.800 -0.006 0.000 0.957 225 D HN 0.658 nan 8.370 nan 0.000 0.484 226 E N 0.977 121.175 120.200 -0.002 0.000 2.047 226 E HA -0.195 4.156 4.350 0.001 0.000 0.191 226 E C 1.918 178.521 176.600 0.005 0.000 0.987 226 E CA 0.792 57.194 56.400 0.003 0.000 0.799 226 E CB 0.113 29.819 29.700 0.011 0.000 0.752 226 E HN 0.236 nan 8.360 nan 0.000 0.449 227 E N 0.206 120.409 120.200 0.004 0.000 2.058 227 E HA -0.234 4.117 4.350 0.001 0.000 0.194 227 E C 1.622 178.224 176.600 0.004 0.000 0.997 227 E CA 1.657 58.060 56.400 0.006 0.000 0.801 227 E CB 0.010 29.709 29.700 -0.001 0.000 0.746 227 E HN 0.255 nan 8.360 nan 0.000 0.450 228 D N 0.259 120.657 120.400 -0.003 0.000 2.123 228 D HA -0.158 4.483 4.640 0.001 0.000 0.196 228 D C 1.737 178.037 176.300 -0.001 0.000 0.992 228 D CA 1.364 55.362 54.000 -0.004 0.000 0.833 228 D CB -0.400 40.394 40.800 -0.008 0.000 0.954 228 D HN 0.307 nan 8.370 nan 0.000 0.455 229 A N 0.084 122.903 122.820 -0.003 0.000 2.178 229 A HA -0.107 4.213 4.320 0.001 0.000 0.218 229 A C 1.779 179.358 177.584 -0.008 0.000 1.157 229 A CA 0.604 52.637 52.037 -0.008 0.000 0.689 229 A CB -0.295 18.698 19.000 -0.010 0.000 0.787 229 A HN 0.144 nan 8.150 nan 0.000 0.465 230 L N -0.796 120.431 121.223 0.006 0.000 2.592 230 L HA 0.248 4.589 4.340 0.001 0.000 0.227 230 L C 1.593 178.504 176.870 0.069 0.000 1.127 230 L CA 0.630 55.481 54.840 0.018 0.000 0.884 230 L CB -1.072 41.008 42.059 0.035 0.000 1.065 230 L HN 0.518 nan 8.230 nan 0.000 0.457 231 G N 0.930 109.760 108.800 0.051 0.000 2.441 231 G HA2 -0.302 3.659 3.960 0.001 0.000 0.298 231 G HA3 -0.302 3.659 3.960 0.001 0.000 0.298 231 G C 0.518 175.503 174.900 0.142 0.000 0.949 231 G CA 0.446 45.592 45.100 0.076 0.000 1.072 231 G HN 0.358 nan 8.290 nan 0.000 0.512 232 L N -0.151 121.110 121.223 0.063 0.000 2.473 232 L HA 0.267 4.607 4.340 0.001 0.000 0.268 232 L C -1.256 175.485 176.870 -0.215 0.000 1.215 232 L CA -1.856 52.928 54.840 -0.094 0.000 0.823 232 L CB 0.080 42.093 42.059 -0.076 0.000 1.099 232 L HN 0.020 nan 8.230 nan 0.000 0.483 233 P HA 0.048 nan 4.420 nan 0.000 0.266 233 P C -0.804 176.397 177.300 -0.164 0.000 1.195 233 P CA 0.021 62.953 63.100 -0.279 0.000 0.768 233 P CB 0.807 32.319 31.700 -0.314 0.000 0.838 234 S N 0.694 116.317 115.700 -0.128 0.000 2.794 234 S HA 0.800 5.270 4.470 0.001 0.000 0.299 234 S C 0.476 175.035 174.600 -0.068 0.000 1.179 234 S CA -0.059 58.093 58.200 -0.079 0.000 0.838 234 S CB 1.243 64.410 63.200 -0.055 0.000 1.206 234 S HN 0.797 nan 8.310 nan 0.000 0.523 235 G N 1.503 110.281 108.800 -0.036 0.000 2.591 235 G HA2 -0.337 3.623 3.960 0.001 0.000 0.298 235 G HA3 -0.337 3.623 3.960 0.001 0.000 0.298 235 G C 0.339 175.235 174.900 -0.007 0.000 1.195 235 G CA 0.905 45.993 45.100 -0.020 0.000 0.989 235 G HN 0.812 nan 8.290 nan 0.000 0.551 236 D N 1.021 121.419 120.400 -0.003 0.000 2.190 236 D HA -0.089 4.552 4.640 0.001 0.000 0.200 236 D C 2.470 178.779 176.300 0.016 0.000 0.992 236 D CA 1.406 55.425 54.000 0.031 0.000 0.854 236 D CB -0.122 40.699 40.800 0.035 0.000 0.936 236 D HN 0.444 nan 8.370 nan 0.000 0.462 237 R N 0.679 121.094 120.500 -0.142 0.000 2.320 237 R HA 0.131 4.472 4.340 0.001 0.000 0.211 237 R C 0.492 176.699 176.300 -0.156 0.000 0.931 237 R CA -0.000 55.844 56.100 -0.427 0.000 1.071 237 R CB 0.114 30.039 30.300 -0.625 0.000 1.025 237 R HN 0.309 nan 8.270 nan 0.000 0.495 238 E N 1.316 121.507 120.200 -0.014 0.000 2.165 238 E HA 0.386 4.737 4.350 0.001 0.000 0.266 238 E C -1.084 175.579 176.600 0.106 0.000 0.889 238 E CA -0.444 55.984 56.400 0.046 0.000 0.756 238 E CB 1.018 30.722 29.700 0.006 0.000 1.131 238 E HN 0.021 nan 8.360 nan 0.000 0.411 239 I N 6.320 126.981 120.570 0.152 0.000 2.468 239 I HA 0.331 4.502 4.170 0.001 0.000 0.284 239 I C -2.402 173.790 176.117 0.126 0.000 1.038 239 I CA -2.479 58.915 61.300 0.156 0.000 1.083 239 I CB 1.892 40.029 38.000 0.229 0.000 1.223 239 I HN 0.374 nan 8.210 nan 0.000 0.443 240 P HA 0.368 nan 4.420 nan 0.000 0.278 240 P C -0.992 176.355 177.300 0.079 0.000 1.238 240 P CA -0.290 62.861 63.100 0.085 0.000 0.794 240 P CB 0.857 32.604 31.700 0.078 0.000 0.955 241 L N 3.067 124.330 121.223 0.068 0.000 2.457 241 L HA 0.356 4.697 4.340 0.001 0.000 0.266 241 L C -0.812 176.067 176.870 0.015 0.000 0.979 241 L CA -0.597 54.271 54.840 0.047 0.000 0.857 241 L CB 1.140 43.234 42.059 0.058 0.000 1.213 241 L HN 0.167 nan 8.230 nan 0.000 0.418 242 L N 5.325 126.567 121.223 0.032 0.000 2.272 242 L HA 0.481 4.822 4.340 0.001 0.000 0.284 242 L C 0.183 177.065 176.870 0.021 0.000 1.045 242 L CA -0.058 54.804 54.840 0.037 0.000 0.842 242 L CB 0.954 43.128 42.059 0.190 0.000 1.224 242 L HN 0.442 nan 8.230 nan 0.000 0.430 243 I N 0.580 121.090 120.570 -0.100 0.000 2.488 243 I HA 0.984 5.154 4.170 0.001 0.000 0.299 243 I C -0.190 175.835 176.117 -0.153 0.000 0.984 243 I CA -0.561 60.643 61.300 -0.160 0.000 1.250 243 I CB 1.890 39.678 38.000 -0.352 0.000 1.389 243 I HN 0.602 nan 8.210 nan 0.000 0.488 244 A N 4.232 127.011 122.820 -0.069 0.000 2.532 244 A HA 0.444 4.765 4.320 0.001 0.000 0.296 244 A C -1.318 176.360 177.584 0.158 0.000 1.058 244 A CA -0.762 51.278 52.037 0.005 0.000 0.729 244 A CB 1.112 20.003 19.000 -0.181 0.000 1.285 244 A HN 0.879 nan 8.150 nan 0.000 0.396 245 D N 1.914 122.499 120.400 0.309 0.000 2.313 245 D HA 0.630 5.270 4.640 0.001 0.000 0.247 245 D C -0.194 176.323 176.300 0.361 0.000 1.094 245 D CA -0.202 54.011 54.000 0.355 0.000 0.925 245 D CB 0.890 41.889 40.800 0.332 0.000 1.188 245 D HN 0.380 nan 8.370 nan 0.000 0.430 246 R N 1.102 121.819 120.500 0.362 0.000 2.808 246 R HA 0.482 4.823 4.340 0.001 0.000 0.272 246 R C -0.748 175.864 176.300 0.521 0.000 0.995 246 R CA -0.870 55.452 56.100 0.371 0.000 0.917 246 R CB 1.467 31.867 30.300 0.165 0.000 1.217 246 R HN 0.535 nan 8.270 nan 0.000 0.471 247 N N 0.691 119.711 118.700 0.533 0.000 2.362 247 N HA 0.607 5.348 4.740 0.001 0.000 0.299 247 N C -1.132 174.542 175.510 0.273 0.000 1.170 247 N CA -0.521 52.808 53.050 0.466 0.000 0.825 247 N CB 1.498 40.248 38.487 0.439 0.000 1.299 247 N HN 0.384 nan 8.380 nan 0.000 0.502 248 L N 0.456 121.825 121.223 0.244 0.000 2.354 248 L HA 0.441 4.782 4.340 0.001 0.000 0.264 248 L C -0.104 176.819 176.870 0.088 0.000 1.008 248 L CA -0.994 53.891 54.840 0.074 0.000 0.819 248 L CB 1.933 43.934 42.059 -0.097 0.000 1.339 248 L HN 0.425 nan 8.230 nan 0.000 0.420 249 D N 0.482 120.908 120.400 0.044 0.000 2.383 249 D HA 0.447 5.087 4.640 0.001 0.000 0.248 249 D C -0.566 175.755 176.300 0.035 0.000 1.170 249 D CA 0.122 54.150 54.000 0.046 0.000 0.977 249 D CB 1.574 42.392 40.800 0.030 0.000 1.120 249 D HN 0.620 nan 8.370 nan 0.000 0.481 250 T N -1.301 113.276 114.554 0.038 0.000 2.907 250 T HA 0.469 4.819 4.350 0.001 0.000 0.292 250 T C -0.396 174.318 174.700 0.025 0.000 1.043 250 T CA -1.050 61.069 62.100 0.031 0.000 1.003 250 T CB 1.574 70.467 68.868 0.042 0.000 1.084 250 T HN 0.098 nan 8.240 nan 0.000 0.483 251 D N 0.825 121.236 120.400 0.019 0.000 2.398 251 D HA 0.210 4.850 4.640 0.001 0.000 0.247 251 D C 1.331 177.642 176.300 0.018 0.000 1.227 251 D CA -0.570 53.440 54.000 0.017 0.000 0.980 251 D CB 0.779 41.587 40.800 0.012 0.000 1.106 251 D HN 0.746 nan 8.370 nan 0.000 0.493 252 E N 0.043 120.253 120.200 0.016 0.000 2.209 252 E HA -0.185 4.166 4.350 0.001 0.000 0.196 252 E C 0.993 177.603 176.600 0.016 0.000 0.993 252 E CA 1.049 57.458 56.400 0.016 0.000 0.819 252 E CB 0.022 29.730 29.700 0.013 0.000 0.745 252 E HN 0.420 nan 8.360 nan 0.000 0.477 253 D N -0.590 119.818 120.400 0.015 0.000 2.363 253 D HA -0.024 4.617 4.640 0.001 0.000 0.226 253 D C 1.298 177.609 176.300 0.019 0.000 1.020 253 D CA 0.831 54.840 54.000 0.015 0.000 0.892 253 D CB 0.098 40.905 40.800 0.012 0.000 0.900 253 D HN 0.250 nan 8.370 nan 0.000 0.531 254 G N 0.343 109.156 108.800 0.023 0.000 2.175 254 G HA2 -0.304 3.656 3.960 0.001 0.000 0.244 254 G HA3 -0.304 3.656 3.960 0.001 0.000 0.244 254 G C 0.278 175.197 174.900 0.031 0.000 0.982 254 G CA -0.154 44.964 45.100 0.030 0.000 0.641 254 G HN 0.432 nan 8.290 nan 0.000 0.527 255 R N 0.005 120.517 120.500 0.021 0.000 2.491 255 R HA 0.439 4.779 4.340 0.001 0.000 0.283 255 R C 0.860 177.165 176.300 0.007 0.000 1.072 255 R CA -0.445 55.663 56.100 0.013 0.000 1.048 255 R CB 0.491 30.794 30.300 0.007 0.000 0.983 255 R HN 0.285 nan 8.270 nan 0.000 0.450 256 L N 3.709 124.928 121.223 -0.007 0.000 2.513 256 L HA -0.058 4.283 4.340 0.001 0.000 0.272 256 L C 1.158 178.008 176.870 -0.034 0.000 1.187 256 L CA 0.213 55.033 54.840 -0.033 0.000 0.895 256 L CB 0.228 42.230 42.059 -0.096 0.000 1.147 256 L HN 0.760 nan 8.230 nan 0.000 0.483 257 N N 1.003 119.689 118.700 -0.024 0.000 2.187 257 N HA 0.123 4.863 4.740 0.001 0.000 0.212 257 N C 0.977 176.483 175.510 -0.006 0.000 1.152 257 N CA 0.299 53.344 53.050 -0.009 0.000 0.872 257 N CB 1.043 39.535 38.487 0.008 0.000 1.025 257 N HN 0.730 nan 8.380 nan 0.000 0.514 258 G N 0.371 109.147 108.800 -0.041 0.000 2.212 258 G HA2 -0.356 3.605 3.960 0.001 0.000 0.266 258 G HA3 -0.356 3.605 3.960 0.001 0.000 0.266 258 G C -0.035 174.847 174.900 -0.030 0.000 0.978 258 G CA 0.086 45.162 45.100 -0.041 0.000 0.632 258 G HN 0.426 nan 8.290 nan 0.000 0.537 259 R N 0.408 120.898 120.500 -0.016 0.000 2.421 259 R HA 0.322 4.663 4.340 0.001 0.000 0.305 259 R C 0.882 177.156 176.300 -0.043 0.000 1.039 259 R CA -0.315 55.767 56.100 -0.030 0.000 1.003 259 R CB 0.334 30.628 30.300 -0.010 0.000 0.959 259 R HN 0.347 nan 8.270 nan 0.000 0.427 260 L N 4.422 125.595 121.223 -0.082 0.000 2.559 260 L HA -0.031 4.310 4.340 0.001 0.000 0.274 260 L C 0.007 176.861 176.870 -0.027 0.000 1.205 260 L CA 0.264 55.061 54.840 -0.072 0.000 0.907 260 L CB 0.046 42.024 42.059 -0.136 0.000 1.153 260 L HN 0.362 nan 8.230 nan 0.000 0.490 261 L N 4.620 125.862 121.223 0.032 0.000 2.372 261 L HA 0.308 4.649 4.340 0.001 0.000 0.274 261 L C -0.323 176.635 176.870 0.147 0.000 0.988 261 L CA -0.163 54.734 54.840 0.095 0.000 0.833 261 L CB 1.153 43.285 42.059 0.122 0.000 1.236 261 L HN 0.432 nan 8.230 nan 0.000 0.410 262 H N 5.601 124.712 119.070 0.068 0.000 2.787 262 H HA 0.274 4.830 4.556 0.001 0.000 0.275 262 H C -1.078 174.418 175.328 0.281 0.000 1.183 262 H CA -0.252 55.864 56.048 0.113 0.000 1.290 262 H CB 0.668 30.561 29.762 0.219 0.000 1.438 262 H HN 0.641 nan 8.280 nan 0.000 0.487 263 K N 4.699 125.241 120.400 0.236 0.000 2.425 263 K HA 0.228 4.548 4.320 0.001 0.000 0.259 263 K C -0.838 175.821 176.600 0.098 0.000 0.978 263 K CA -0.602 55.794 56.287 0.181 0.000 0.883 263 K CB 0.783 33.384 32.500 0.168 0.000 1.110 263 K HN 0.609 nan 8.250 nan 0.000 0.436 264 T N -0.591 114.026 114.554 0.104 0.000 2.940 264 T HA 0.482 4.833 4.350 0.001 0.000 0.288 264 T C -0.211 174.540 174.700 0.085 0.000 1.033 264 T CA -0.824 61.321 62.100 0.075 0.000 1.033 264 T CB 1.637 70.571 68.868 0.110 0.000 1.079 264 T HN 0.147 nan 8.240 nan 0.000 0.496 265 V N 2.277 122.237 119.914 0.076 0.000 2.427 265 V HA 0.390 4.511 4.120 0.001 0.000 0.286 265 V C 0.230 176.371 176.094 0.078 0.000 1.034 265 V CA -0.958 61.382 62.300 0.065 0.000 0.893 265 V CB 1.017 32.866 31.823 0.043 0.000 0.982 265 V HN 0.824 nan 8.190 nan 0.000 0.452 266 I N 4.952 125.564 120.570 0.070 0.000 2.452 266 I HA 0.099 4.270 4.170 0.001 0.000 0.287 266 I C 1.057 177.209 176.117 0.058 0.000 1.079 266 I CA 0.144 61.487 61.300 0.072 0.000 1.387 266 I CB 1.343 39.382 38.000 0.064 0.000 1.404 266 I HN 0.636 nan 8.210 nan 0.000 0.522 267 V N 2.167 122.119 119.914 0.064 0.000 3.661 267 V HA 0.225 4.346 4.120 0.001 0.000 0.271 267 V C 0.349 176.468 176.094 0.041 0.000 1.315 267 V CA 0.159 62.489 62.300 0.050 0.000 1.072 267 V CB -0.272 31.586 31.823 0.057 0.000 0.830 267 V HN 0.861 nan 8.190 nan 0.000 0.443 268 Q N 0.412 120.237 119.800 0.042 0.000 2.275 268 Q HA 0.313 4.653 4.340 0.001 0.000 0.258 268 Q C 0.269 176.288 176.000 0.032 0.000 0.960 268 Q CA -0.415 55.406 55.803 0.030 0.000 0.801 268 Q CB 2.155 30.906 28.738 0.021 0.000 1.302 268 Q HN 0.195 nan 8.270 nan 0.000 0.433 269 Q N 1.799 121.615 119.800 0.028 0.000 2.172 269 Q HA 0.135 4.476 4.340 0.001 0.000 0.200 269 Q C -0.411 175.606 176.000 0.028 0.000 0.964 269 Q CA 1.237 57.058 55.803 0.031 0.000 0.855 269 Q CB 0.546 29.299 28.738 0.026 0.000 0.918 269 Q HN 0.359 nan 8.270 nan 0.000 0.444 270 S N 0.145 115.858 115.700 0.021 0.000 2.706 270 S HA 0.384 4.855 4.470 0.001 0.000 0.270 270 S C -1.518 173.088 174.600 0.010 0.000 1.163 270 S CA -0.902 57.309 58.200 0.018 0.000 1.042 270 S CB 0.226 63.436 63.200 0.017 0.000 1.079 270 S HN 0.421 nan 8.310 nan 0.000 0.474 271 N N 5.240 123.942 118.700 0.003 0.000 2.470 271 N HA 0.379 5.120 4.740 0.001 0.000 0.268 271 N C -1.571 173.938 175.510 -0.002 0.000 1.136 271 N CA -1.592 51.452 53.050 -0.010 0.000 0.961 271 N CB 1.107 39.571 38.487 -0.038 0.000 1.067 271 N HN 0.242 nan 8.380 nan 0.000 0.468 272 P HA -0.221 nan 4.420 nan 0.000 0.218 272 P C 0.246 177.550 177.300 0.007 0.000 1.152 272 P CA 1.638 64.741 63.100 0.005 0.000 0.857 272 P CB 0.236 31.940 31.700 0.006 0.000 0.787 273 E N -1.469 118.734 120.200 0.005 0.000 2.075 273 E HA -0.013 4.338 4.350 0.001 0.000 0.190 273 E C 0.917 177.525 176.600 0.013 0.000 0.969 273 E CA 1.008 57.415 56.400 0.011 0.000 0.815 273 E CB -0.162 29.546 29.700 0.014 0.000 0.776 273 E HN 0.346 nan 8.360 nan 0.000 0.457 274 T N -3.147 111.413 114.554 0.009 0.000 2.948 274 T HA 0.404 4.754 4.350 0.001 0.000 0.285 274 T C 1.288 175.998 174.700 0.018 0.000 1.019 274 T CA -0.347 61.764 62.100 0.019 0.000 1.013 274 T CB 1.576 70.460 68.868 0.026 0.000 1.117 274 T HN 0.041 nan 8.240 nan 0.000 0.533 275 G N 0.233 109.047 108.800 0.025 0.000 2.479 275 G HA2 -0.031 3.929 3.960 0.001 0.000 0.220 275 G HA3 -0.031 3.929 3.960 0.001 0.000 0.220 275 G C 0.381 175.296 174.900 0.025 0.000 1.115 275 G CA 0.478 45.592 45.100 0.024 0.000 0.757 275 G HN 0.709 nan 8.290 nan 0.000 0.560 276 K N 0.640 121.057 120.400 0.028 0.000 2.123 276 K HA 0.423 4.744 4.320 0.001 0.000 0.248 276 K C -2.622 174.002 176.600 0.041 0.000 0.969 276 K CA -2.225 54.088 56.287 0.042 0.000 0.882 276 K CB 1.672 34.210 32.500 0.064 0.000 1.080 276 K HN -0.130 nan 8.250 nan 0.000 0.441 277 P HA 0.060 nan 4.420 nan 0.000 0.275 277 P C -0.804 176.546 177.300 0.083 0.000 1.227 277 P CA -0.333 62.805 63.100 0.062 0.000 0.781 277 P CB 0.774 32.516 31.700 0.070 0.000 0.906 278 V N 2.941 122.899 119.914 0.073 0.000 2.409 278 V HA 0.385 4.506 4.120 0.001 0.000 0.291 278 V C 0.516 176.687 176.094 0.128 0.000 1.020 278 V CA -0.186 62.175 62.300 0.101 0.000 0.848 278 V CB 1.337 33.175 31.823 0.027 0.000 0.990 278 V HN 0.777 nan 8.190 nan 0.000 0.430 279 S N 5.394 121.200 115.700 0.176 0.000 2.600 279 S HA 0.818 5.289 4.470 0.001 0.000 0.300 279 S C -0.314 174.391 174.600 0.175 0.000 1.087 279 S CA -0.860 57.434 58.200 0.156 0.000 0.965 279 S CB 2.009 65.301 63.200 0.153 0.000 1.089 279 S HN 0.740 nan 8.310 nan 0.000 0.496 280 I N -1.660 119.000 120.570 0.151 0.000 3.156 280 I HA 0.571 4.742 4.170 0.001 0.000 0.306 280 I C -2.704 173.468 176.117 0.091 0.000 1.048 280 I CA -2.526 58.874 61.300 0.166 0.000 1.207 280 I CB -0.351 37.765 38.000 0.194 0.000 1.456 280 I HN 0.326 nan 8.210 nan 0.000 0.616 281 P HA 0.066 nan 4.420 nan 0.000 0.272 281 P C -0.989 176.025 177.300 -0.477 0.000 1.254 281 P CA -0.079 62.853 63.100 -0.279 0.000 0.795 281 P CB 0.217 31.622 31.700 -0.491 0.000 1.022 282 F N 1.364 120.885 119.950 -0.714 0.000 2.438 282 F HA 0.458 4.986 4.527 0.001 0.000 0.356 282 F C -0.986 174.225 175.800 -0.982 0.000 1.099 282 F CA 0.062 57.653 58.000 -0.681 0.000 1.185 282 F CB -0.283 38.381 39.000 -0.560 0.000 1.115 282 F HN 0.044 nan 8.300 nan 0.000 0.526 283 F N 4.033 123.261 119.950 -1.204 0.000 2.547 283 F HA 0.676 5.204 4.527 0.001 0.000 0.316 283 F C 0.326 175.377 175.800 -1.247 0.000 1.121 283 F CA -0.936 56.471 58.000 -0.988 0.000 0.911 283 F CB 1.840 40.547 39.000 -0.488 0.000 1.179 283 F HN 0.647 nan 8.300 nan 0.000 0.443 284 G N 1.500 109.883 108.800 -0.695 0.000 2.569 284 G HA2 0.627 4.588 3.960 0.001 0.000 0.300 284 G HA3 0.627 4.588 3.960 0.001 0.000 0.300 284 G C -2.612 172.235 174.900 -0.088 0.000 1.269 284 G CA -1.729 43.197 45.100 -0.290 0.000 0.959 284 G HN 0.311 nan 8.290 nan 0.000 0.478 285 P HA 0.097 nan 4.420 nan 0.000 0.235 285 P C -0.573 176.675 177.300 -0.088 0.000 1.177 285 P CA 0.465 63.452 63.100 -0.187 0.000 0.785 285 P CB 0.198 31.683 31.700 -0.358 0.000 0.885 286 Y N -0.371 120.070 120.300 0.235 0.000 2.341 286 Y HA 0.406 4.957 4.550 0.001 0.000 0.337 286 Y C 0.797 176.741 175.900 0.074 0.000 1.014 286 Y CA -0.767 57.347 58.100 0.023 0.000 1.111 286 Y CB 0.974 39.243 38.460 -0.319 0.000 1.194 286 Y HN -0.372 nan 8.280 nan 0.000 0.462 287 T N 2.510 117.223 114.554 0.265 0.000 2.744 287 T HA 0.303 4.654 4.350 0.001 0.000 0.291 287 T C 0.111 174.830 174.700 0.032 0.000 0.957 287 T CA -0.845 61.429 62.100 0.289 0.000 1.002 287 T CB 0.420 69.606 68.868 0.531 0.000 0.919 287 T HN 0.716 nan 8.240 nan 0.000 0.468 288 T N 0.266 114.847 114.554 0.045 0.000 2.907 288 T HA 0.681 5.032 4.350 0.001 0.000 0.284 288 T C -0.438 174.274 174.700 0.019 0.000 1.004 288 T CA -0.709 61.396 62.100 0.008 0.000 1.063 288 T CB 0.940 69.822 68.868 0.024 0.000 0.992 288 T HN 0.281 nan 8.240 nan 0.000 0.483 289 V N 3.685 123.612 119.914 0.021 0.000 2.447 289 V HA 0.385 4.505 4.120 0.001 0.000 0.292 289 V C -0.329 175.777 176.094 0.020 0.000 1.021 289 V CA -1.157 61.150 62.300 0.012 0.000 0.850 289 V CB 0.865 32.688 31.823 0.000 0.000 1.005 289 V HN 1.036 nan 8.190 nan 0.000 0.426 290 N N 3.751 122.480 118.700 0.050 0.000 2.727 290 N HA -0.206 4.535 4.740 0.001 0.000 0.249 290 N C 1.176 176.701 175.510 0.025 0.000 1.048 290 N CA 1.827 54.901 53.050 0.040 0.000 0.714 290 N CB -1.111 37.385 38.487 0.014 0.000 0.959 290 N HN 1.635 nan 8.380 nan 0.000 0.544 291 G N -1.501 107.335 108.800 0.061 0.000 2.159 291 G HA2 -0.353 3.607 3.960 0.001 0.000 0.256 291 G HA3 -0.353 3.607 3.960 0.001 0.000 0.256 291 G C 0.061 174.963 174.900 0.003 0.000 0.977 291 G CA 0.488 45.614 45.100 0.043 0.000 0.652 291 G HN 0.580 nan 8.290 nan 0.000 0.531 292 R N -0.359 120.134 120.500 -0.013 0.000 2.534 292 R HA 0.592 4.932 4.340 0.001 0.000 0.301 292 R C 0.515 176.779 176.300 -0.060 0.000 0.961 292 R CA -0.992 55.082 56.100 -0.043 0.000 0.871 292 R CB 1.372 31.637 30.300 -0.058 0.000 1.170 292 R HN 0.243 nan 8.270 nan 0.000 0.446 293 I N 3.630 124.126 120.570 -0.123 0.000 2.668 293 I HA -0.105 4.065 4.170 0.001 0.000 0.285 293 I C 0.066 176.136 176.117 -0.078 0.000 1.168 293 I CA 0.275 61.396 61.300 -0.299 0.000 1.424 293 I CB 0.217 37.897 38.000 -0.534 0.000 1.377 293 I HN 0.621 nan 8.210 nan 0.000 0.560 294 W N 5.500 126.858 121.300 0.095 0.000 6.880 294 W HA -0.151 4.509 4.660 0.001 0.000 0.423 294 W C -2.336 174.306 176.519 0.206 0.000 1.695 294 W CA -0.885 56.531 57.345 0.119 0.000 1.126 294 W CB -2.319 27.090 29.460 -0.085 0.000 2.925 294 W HN 0.337 nan 8.180 nan 0.000 1.530 295 P HA 0.369 nan 4.420 nan 0.000 0.278 295 P C -0.471 176.902 177.300 0.121 0.000 1.266 295 P CA -0.141 63.015 63.100 0.094 0.000 0.807 295 P CB 1.158 32.814 31.700 -0.074 0.000 1.094 296 Y N -1.358 118.959 120.300 0.028 0.000 2.487 296 Y HA 0.801 5.352 4.550 0.001 0.000 0.337 296 Y C -1.064 174.718 175.900 -0.195 0.000 1.076 296 Y CA -1.853 56.156 58.100 -0.152 0.000 1.115 296 Y CB 0.977 39.368 38.460 -0.115 0.000 1.235 296 Y HN 0.519 nan 8.280 nan 0.000 0.468 297 A N 2.458 125.201 122.820 -0.127 0.000 2.343 297 A HA 0.469 4.790 4.320 0.001 0.000 0.308 297 A C -1.490 176.090 177.584 -0.007 0.000 1.092 297 A CA -0.869 51.096 52.037 -0.120 0.000 0.751 297 A CB 0.572 19.424 19.000 -0.247 0.000 1.203 297 A HN 0.763 nan 8.150 nan 0.000 0.452 298 D N 2.200 122.640 120.400 0.066 0.000 2.325 298 D HA 0.404 5.045 4.640 0.001 0.000 0.251 298 D C 0.300 176.582 176.300 -0.030 0.000 1.196 298 D CA 0.455 54.469 54.000 0.023 0.000 0.866 298 D CB 1.423 42.265 40.800 0.070 0.000 1.101 298 D HN 0.534 nan 8.370 nan 0.000 0.476 299 V N -0.137 119.690 119.914 -0.145 0.000 3.046 299 V HA 0.591 4.712 4.120 0.001 0.000 0.316 299 V C -0.109 175.923 176.094 -0.104 0.000 1.104 299 V CA -0.995 61.173 62.300 -0.219 0.000 1.006 299 V CB 2.517 33.884 31.823 -0.761 0.000 1.058 299 V HN 0.120 nan 8.190 nan 0.000 0.440 300 D N 1.534 122.016 120.400 0.137 0.000 2.387 300 D HA 0.276 4.917 4.640 0.001 0.000 0.251 300 D C -0.299 176.096 176.300 0.158 0.000 1.141 300 D CA 0.024 54.114 54.000 0.149 0.000 0.987 300 D CB 1.120 42.052 40.800 0.220 0.000 1.116 300 D HN 0.932 nan 8.370 nan 0.000 0.491 301 D N -0.159 120.309 120.400 0.113 0.000 2.801 301 D HA 0.274 4.915 4.640 0.001 0.000 0.232 301 D C 0.361 176.768 176.300 0.178 0.000 1.128 301 D CA -0.552 53.523 54.000 0.126 0.000 1.003 301 D CB -0.204 40.632 40.800 0.060 0.000 1.110 301 D HN 0.319 nan 8.370 nan 0.000 0.477 302 G N -0.468 108.507 108.800 0.292 0.000 2.921 302 G HA2 0.435 4.395 3.960 0.001 0.000 0.291 302 G HA3 0.435 4.395 3.960 0.001 0.000 0.291 302 G C -1.513 173.544 174.900 0.261 0.000 1.370 302 G CA -1.262 43.983 45.100 0.241 0.000 0.847 302 G HN 0.157 nan 8.290 nan 0.000 0.532 303 W N 0.025 121.377 121.300 0.087 0.000 2.253 303 W HA 0.580 5.240 4.660 0.001 0.000 0.322 303 W C -0.661 175.809 176.519 -0.081 0.000 1.342 303 W CA 0.339 57.671 57.345 -0.023 0.000 1.218 303 W CB 0.498 29.831 29.460 -0.212 0.000 1.205 303 W HN 0.278 nan 8.180 nan 0.000 0.551 304 Y N 1.319 121.663 120.300 0.072 0.000 2.598 304 Y HA 0.542 5.093 4.550 0.001 0.000 0.340 304 Y C -0.031 175.877 175.900 0.012 0.000 1.038 304 Y CA -1.977 56.157 58.100 0.058 0.000 1.100 304 Y CB 1.886 40.422 38.460 0.126 0.000 1.281 304 Y HN 0.276 nan 8.280 nan 0.000 0.488 305 R N 2.329 122.914 120.500 0.142 0.000 2.476 305 R HA 0.658 4.998 4.340 0.001 0.000 0.305 305 R C -2.239 174.145 176.300 0.139 0.000 0.965 305 R CA -0.450 55.701 56.100 0.085 0.000 0.867 305 R CB 0.695 30.994 30.300 -0.002 0.000 1.176 305 R HN 0.749 nan 8.270 nan 0.000 0.447 306 L N 5.079 126.382 121.223 0.134 0.000 2.313 306 L HA 0.561 4.902 4.340 0.001 0.000 0.283 306 L C -0.033 176.909 176.870 0.120 0.000 1.013 306 L CA -1.169 53.760 54.840 0.149 0.000 0.816 306 L CB 1.736 43.891 42.059 0.161 0.000 1.236 306 L HN 0.466 nan 8.230 nan 0.000 0.419 307 R N 4.329 124.894 120.500 0.107 0.000 2.565 307 R HA 0.320 4.661 4.340 0.001 0.000 0.286 307 R C -0.635 175.718 176.300 0.088 0.000 1.256 307 R CA -0.534 55.621 56.100 0.092 0.000 1.238 307 R CB 0.630 30.975 30.300 0.075 0.000 1.153 307 R HN 0.461 nan 8.270 nan 0.000 0.553 308 L N 3.618 124.908 121.223 0.113 0.000 2.278 308 L HA 0.345 4.686 4.340 0.001 0.000 0.287 308 L C -0.706 176.205 176.870 0.068 0.000 1.072 308 L CA -0.252 54.645 54.840 0.094 0.000 0.819 308 L CB 1.452 43.581 42.059 0.117 0.000 1.176 308 L HN 0.163 nan 8.230 nan 0.000 0.435 309 V N 6.909 126.786 119.914 -0.061 0.000 2.495 309 V HA 0.393 4.514 4.120 0.001 0.000 0.298 309 V C -0.128 175.779 176.094 -0.311 0.000 1.031 309 V CA -0.860 61.295 62.300 -0.241 0.000 0.871 309 V CB 1.942 33.478 31.823 -0.479 0.000 0.988 309 V HN 0.876 nan 8.190 nan 0.000 0.432 310 N N 5.496 124.018 118.700 -0.297 0.000 2.402 310 N HA 0.331 5.072 4.740 0.001 0.000 0.252 310 N C 0.486 175.698 175.510 -0.497 0.000 1.118 310 N CA 0.482 53.373 53.050 -0.265 0.000 0.945 310 N CB 1.633 40.085 38.487 -0.058 0.000 1.147 310 N HN 0.804 nan 8.380 nan 0.000 0.495 311 A N 2.579 125.110 122.820 -0.482 0.000 2.337 311 A HA 0.177 4.498 4.320 0.001 0.000 0.227 311 A C 0.707 178.125 177.584 -0.277 0.000 1.259 311 A CA -0.305 51.394 52.037 -0.563 0.000 0.870 311 A CB -0.146 18.505 19.000 -0.582 0.000 0.927 311 A HN 0.555 nan 8.150 nan 0.000 0.497 312 S N 0.622 116.248 115.700 -0.123 0.000 2.584 312 S HA 0.046 4.517 4.470 0.001 0.000 0.270 312 S C 1.096 175.699 174.600 0.005 0.000 1.346 312 S CA -0.207 57.995 58.200 0.002 0.000 1.018 312 S CB 0.474 63.763 63.200 0.148 0.000 0.899 312 S HN 0.582 nan 8.310 nan 0.000 0.542 313 N N 1.328 120.036 118.700 0.014 0.000 2.104 313 N HA -0.057 4.683 4.740 0.001 0.000 0.190 313 N C 1.132 176.610 175.510 -0.053 0.000 1.024 313 N CA 1.629 54.663 53.050 -0.027 0.000 0.853 313 N CB -0.088 38.391 38.487 -0.015 0.000 1.008 313 N HN 0.676 nan 8.380 nan 0.000 0.424 314 A N -1.241 121.518 122.820 -0.101 0.000 2.212 314 A HA 0.167 4.487 4.320 0.001 0.000 0.169 314 A C 0.587 178.171 177.584 0.001 0.000 1.802 314 A CA -0.440 51.495 52.037 -0.170 0.000 1.344 314 A CB 0.004 18.677 19.000 -0.546 0.000 1.566 314 A HN 0.118 nan 8.150 nan 0.000 0.419 315 R N 1.090 121.607 120.500 0.028 0.000 2.484 315 R HA 0.309 4.649 4.340 0.001 0.000 0.293 315 R C -1.064 175.263 176.300 0.046 0.000 1.023 315 R CA 0.136 56.325 56.100 0.148 0.000 1.037 315 R CB -0.023 30.251 30.300 -0.044 0.000 0.951 315 R HN 0.364 nan 8.270 nan 0.000 0.418 316 I N 5.799 126.384 120.570 0.025 0.000 2.337 316 I HA 0.079 4.250 4.170 0.001 0.000 0.291 316 I C -0.485 175.584 176.117 -0.080 0.000 1.046 316 I CA -0.390 60.920 61.300 0.016 0.000 1.324 316 I CB 0.536 38.553 38.000 0.029 0.000 1.409 316 I HN 0.552 nan 8.210 nan 0.000 0.494 317 Y N 5.129 125.434 120.300 0.008 0.000 2.393 317 Y HA 0.159 4.709 4.550 0.002 0.000 0.338 317 Y C 0.292 176.171 175.900 -0.035 0.000 1.029 317 Y CA -0.078 58.016 58.100 -0.010 0.000 1.239 317 Y CB 0.402 38.850 38.460 -0.019 0.000 1.170 317 Y HN 0.498 nan 8.280 nan 0.000 0.515 318 N N 4.767 123.513 118.700 0.076 0.000 2.678 318 N HA 0.333 5.073 4.740 0.001 0.000 0.231 318 N C -1.367 174.182 175.510 0.065 0.000 1.038 318 N CA -0.318 52.761 53.050 0.048 0.000 0.932 318 N CB 0.529 39.024 38.487 0.013 0.000 1.176 318 N HN 0.411 nan 8.380 nan 0.000 0.511 319 L N 1.839 123.101 121.223 0.065 0.000 2.326 319 L HA 0.550 4.891 4.340 0.001 0.000 0.278 319 L C -0.286 176.611 176.870 0.045 0.000 1.092 319 L CA -0.829 54.045 54.840 0.057 0.000 0.810 319 L CB 0.960 43.036 42.059 0.028 0.000 1.153 319 L HN 0.118 nan 8.230 nan 0.000 0.439 320 V N 3.854 123.689 119.914 -0.133 0.000 2.709 320 V HA 0.319 4.440 4.120 0.001 0.000 0.308 320 V C -0.467 175.237 176.094 -0.651 0.000 1.062 320 V CA -0.643 61.326 62.300 -0.551 0.000 0.901 320 V CB 2.325 33.937 31.823 -0.351 0.000 1.003 320 V HN 0.441 nan 8.190 nan 0.000 0.425 321 L N 6.876 127.375 121.223 -1.206 0.000 2.260 321 L HA 0.630 4.971 4.340 0.001 0.000 0.289 321 L C -0.248 176.355 176.870 -0.445 0.000 1.057 321 L CA 0.357 54.864 54.840 -0.556 0.000 0.811 321 L CB 0.411 42.289 42.059 -0.301 0.000 1.184 321 L HN 0.665 nan 8.230 nan 0.000 0.429 322 I N 1.143 121.576 120.570 -0.229 0.000 2.797 322 I HA 0.669 4.840 4.170 0.001 0.000 0.307 322 I C -0.523 175.547 176.117 -0.079 0.000 1.033 322 I CA -0.890 60.322 61.300 -0.147 0.000 1.071 322 I CB 1.796 39.726 38.000 -0.117 0.000 1.255 322 I HN 0.577 nan 8.210 nan 0.000 0.445 323 D N 2.449 122.815 120.400 -0.058 0.000 2.511 323 D HA 0.148 4.789 4.640 0.001 0.000 0.276 323 D C 0.554 176.832 176.300 -0.037 0.000 1.220 323 D CA -0.259 53.718 54.000 -0.039 0.000 1.077 323 D CB 0.473 41.256 40.800 -0.028 0.000 1.126 323 D HN 0.650 nan 8.370 nan 0.000 0.583 324 E N -1.067 119.113 120.200 -0.033 0.000 2.333 324 E HA -0.071 4.279 4.350 0.001 0.000 0.198 324 E C 0.326 176.913 176.600 -0.022 0.000 1.007 324 E CA 1.046 57.429 56.400 -0.028 0.000 0.845 324 E CB -0.105 29.578 29.700 -0.029 0.000 0.766 324 E HN 0.351 nan 8.360 nan 0.000 0.507 325 D N -0.384 120.002 120.400 -0.023 0.000 2.368 325 D HA 0.037 4.678 4.640 0.001 0.000 0.218 325 D C -0.404 175.881 176.300 -0.025 0.000 1.112 325 D CA 0.072 54.059 54.000 -0.021 0.000 0.834 325 D CB 0.329 41.118 40.800 -0.019 0.000 0.953 325 D HN -0.062 nan 8.370 nan 0.000 0.505 326 D N -0.370 120.011 120.400 -0.030 0.000 2.946 326 D HA -0.205 4.436 4.640 0.001 0.000 0.202 326 D C 0.392 176.665 176.300 -0.045 0.000 1.068 326 D CA 0.514 54.492 54.000 -0.038 0.000 1.011 326 D CB -0.788 39.992 40.800 -0.032 0.000 1.105 326 D HN 0.280 nan 8.370 nan 0.000 0.425 327 R N 0.894 121.370 120.500 -0.039 0.000 2.347 327 R HA 0.296 4.637 4.340 0.001 0.000 0.304 327 R C -2.519 173.750 176.300 -0.053 0.000 1.072 327 R CA -1.255 54.824 56.100 -0.036 0.000 0.980 327 R CB 0.596 30.884 30.300 -0.021 0.000 0.986 327 R HN -0.127 nan 8.270 nan 0.000 0.448 328 P HA -0.045 nan 4.420 nan 0.000 0.266 328 P C -0.987 176.307 177.300 -0.011 0.000 1.195 328 P CA -0.043 63.006 63.100 -0.085 0.000 0.768 328 P CB 0.643 32.335 31.700 -0.014 0.000 0.838 329 V N 5.575 125.482 119.914 -0.011 0.000 2.294 329 V HA 0.269 4.390 4.120 0.001 0.000 0.272 329 V C -1.730 174.465 176.094 0.168 0.000 1.027 329 V CA -1.741 60.590 62.300 0.051 0.000 0.823 329 V CB 0.653 32.479 31.823 0.005 0.000 1.030 329 V HN 0.564 nan 8.190 nan 0.000 0.457 330 P HA 0.331 nan 4.420 nan 0.000 0.276 330 P C 0.827 178.113 177.300 -0.023 0.000 1.252 330 P CA 0.461 63.591 63.100 0.050 0.000 0.802 330 P CB 1.290 33.004 31.700 0.023 0.000 1.035 331 G N -0.395 108.349 108.800 -0.094 0.000 2.148 331 G HA2 -0.220 3.741 3.960 0.001 0.000 0.254 331 G HA3 -0.220 3.741 3.960 0.001 0.000 0.254 331 G C 0.454 175.278 174.900 -0.127 0.000 0.981 331 G CA 0.181 45.225 45.100 -0.094 0.000 0.670 331 G HN 0.431 nan 8.290 nan 0.000 0.528 332 V N -1.044 118.748 119.914 -0.205 0.000 3.250 332 V HA 0.265 4.386 4.120 0.001 0.000 0.240 332 V C 1.184 177.099 176.094 -0.299 0.000 1.275 332 V CA 1.065 63.221 62.300 -0.239 0.000 1.206 332 V CB 1.199 32.898 31.823 -0.207 0.000 0.976 332 V HN 0.218 nan 8.190 nan 0.000 0.467 333 V N 1.280 120.991 119.914 -0.337 0.000 2.427 333 V HA 0.484 4.604 4.120 0.001 0.000 0.286 333 V C -0.938 174.888 176.094 -0.446 0.000 1.034 333 V CA -0.437 61.709 62.300 -0.256 0.000 0.893 333 V CB 1.038 32.791 31.823 -0.117 0.000 0.982 333 V HN 0.556 nan 8.190 nan 0.000 0.452 334 H N 2.415 121.487 119.070 0.004 0.000 2.658 334 H HA 0.436 4.992 4.556 0.001 0.000 0.337 334 H C -0.325 175.035 175.328 0.054 0.000 1.009 334 H CA -0.414 55.662 56.048 0.047 0.000 1.231 334 H CB 1.320 31.170 29.762 0.147 0.000 1.508 334 H HN 0.654 nan 8.280 nan 0.000 0.517 335 Q N 3.176 123.049 119.800 0.122 0.000 2.288 335 Q HA 0.264 4.605 4.340 0.001 0.000 0.254 335 Q C 0.456 176.525 176.000 0.116 0.000 0.932 335 Q CA -0.177 55.702 55.803 0.127 0.000 0.902 335 Q CB 0.652 29.468 28.738 0.130 0.000 1.203 335 Q HN 0.907 nan 8.270 nan 0.000 0.415 336 I N -0.114 120.518 120.570 0.104 0.000 4.338 336 I HA 0.583 4.754 4.170 0.001 0.000 0.329 336 I C 0.350 176.494 176.117 0.046 0.000 1.378 336 I CA -0.375 60.967 61.300 0.070 0.000 1.170 336 I CB 1.165 39.213 38.000 0.079 0.000 1.206 336 I HN 0.490 nan 8.210 nan 0.000 0.432 337 G N 0.665 109.497 108.800 0.053 0.000 2.677 337 G HA2 0.655 4.616 3.960 0.001 0.000 0.291 337 G HA3 0.655 4.616 3.960 0.001 0.000 0.291 337 G C -1.206 173.701 174.900 0.013 0.000 1.435 337 G CA 0.074 45.198 45.100 0.041 0.000 0.826 337 G HN 0.304 nan 8.290 nan 0.000 0.491 338 S N -1.014 114.692 115.700 0.011 0.000 2.840 338 S HA 0.529 5.000 4.470 0.001 0.000 0.307 338 S C 0.340 174.936 174.600 -0.007 0.000 1.180 338 S CA -0.171 57.982 58.200 -0.079 0.000 0.846 338 S CB 1.354 64.515 63.200 -0.065 0.000 1.233 338 S HN 0.358 nan 8.310 nan 0.000 0.548 339 D N 1.466 121.843 120.400 -0.037 0.000 2.191 339 D HA -0.101 4.540 4.640 0.001 0.000 0.190 339 D C 1.685 178.114 176.300 0.215 0.000 1.007 339 D CA 2.276 56.324 54.000 0.079 0.000 0.865 339 D CB -0.941 39.908 40.800 0.083 0.000 0.929 339 D HN 0.785 nan 8.370 nan 0.000 0.447 340 G N -1.292 107.671 108.800 0.271 0.000 3.088 340 G HA2 0.463 4.424 3.960 0.001 0.000 0.217 340 G HA3 0.463 4.424 3.960 0.001 0.000 0.217 340 G C 0.669 175.764 174.900 0.325 0.000 1.159 340 G CA 0.489 45.806 45.100 0.362 0.000 0.760 340 G HN 0.681 nan 8.290 nan 0.000 0.550 341 G N -0.474 108.475 108.800 0.248 0.000 2.315 341 G HA2 0.018 3.979 3.960 0.001 0.000 0.296 341 G HA3 0.018 3.979 3.960 0.001 0.000 0.296 341 G C -0.544 174.465 174.900 0.182 0.000 1.289 341 G CA -1.003 44.212 45.100 0.192 0.000 0.996 341 G HN 0.440 nan 8.290 nan 0.000 0.487 342 L N 0.919 122.227 121.223 0.142 0.000 2.653 342 L HA 0.081 4.422 4.340 0.001 0.000 0.288 342 L C 1.231 178.131 176.870 0.051 0.000 1.243 342 L CA 0.086 54.981 54.840 0.092 0.000 0.906 342 L CB -0.144 41.962 42.059 0.079 0.000 1.154 342 L HN 0.401 nan 8.230 nan 0.000 0.498 343 L N 6.007 127.200 121.223 -0.050 0.000 2.472 343 L HA 0.121 4.462 4.340 0.001 0.000 0.260 343 L C -0.996 175.679 176.870 -0.325 0.000 1.209 343 L CA -1.397 53.312 54.840 -0.219 0.000 0.817 343 L CB 0.244 42.216 42.059 -0.146 0.000 1.106 343 L HN 0.493 nan 8.230 nan 0.000 0.479 344 P HA -0.058 nan 4.420 nan 0.000 0.216 344 P C -0.082 177.098 177.300 -0.201 0.000 1.153 344 P CA 1.373 64.190 63.100 -0.472 0.000 0.844 344 P CB 0.342 31.640 31.700 -0.671 0.000 0.787 345 R N -0.774 119.620 120.500 -0.177 0.000 2.744 345 R HA 0.507 4.848 4.340 0.001 0.000 0.279 345 R C -2.760 173.509 176.300 -0.052 0.000 0.977 345 R CA -2.587 53.461 56.100 -0.087 0.000 0.906 345 R CB 1.021 31.281 30.300 -0.067 0.000 1.197 345 R HN -0.101 nan 8.270 nan 0.000 0.463 346 P HA 0.040 nan 4.420 nan 0.000 0.268 346 P C -0.831 176.500 177.300 0.050 0.000 1.205 346 P CA -0.219 62.907 63.100 0.043 0.000 0.771 346 P CB 0.614 32.355 31.700 0.068 0.000 0.858 347 V N 5.586 125.537 119.914 0.062 0.000 2.378 347 V HA 0.314 4.434 4.120 0.001 0.000 0.288 347 V C -2.206 173.890 176.094 0.004 0.000 1.016 347 V CA -2.125 60.190 62.300 0.025 0.000 0.840 347 V CB 1.534 33.362 31.823 0.008 0.000 0.994 347 V HN 0.492 nan 8.190 nan 0.000 0.431 348 P HA 0.142 nan 4.420 nan 0.000 0.268 348 P C -0.690 176.464 177.300 -0.244 0.000 1.204 348 P CA 0.072 63.078 63.100 -0.158 0.000 0.768 348 P CB 0.616 32.249 31.700 -0.112 0.000 0.842 349 V N 3.846 123.526 119.914 -0.391 0.000 2.284 349 V HA 0.185 4.306 4.120 0.001 0.000 0.274 349 V C 0.200 175.760 176.094 -0.890 0.000 1.023 349 V CA 0.045 61.994 62.300 -0.585 0.000 0.808 349 V CB 1.127 32.612 31.823 -0.562 0.000 1.035 349 V HN 0.455 nan 8.190 nan 0.000 0.445 350 D N 3.227 123.224 120.400 -0.672 0.000 2.433 350 D HA 0.230 4.871 4.640 0.001 0.000 0.211 350 D C 0.687 176.868 176.300 -0.199 0.000 1.114 350 D CA -0.091 53.675 54.000 -0.390 0.000 0.837 350 D CB 0.265 40.955 40.800 -0.183 0.000 0.984 350 D HN 0.513 nan 8.370 nan 0.000 0.505 351 F N 1.098 121.016 119.950 -0.053 0.000 3.067 351 F HA -0.284 4.244 4.527 0.001 0.000 0.279 351 F C 0.850 176.630 175.800 -0.032 0.000 0.945 351 F CA 0.284 58.260 58.000 -0.041 0.000 0.948 351 F CB -1.822 37.152 39.000 -0.043 0.000 0.898 351 F HN 0.086 nan 8.300 nan 0.000 0.746 352 D N -0.918 119.512 120.400 0.050 0.000 2.910 352 D HA 0.182 4.822 4.640 0.001 0.000 0.241 352 D C 1.257 177.572 176.300 0.024 0.000 1.346 352 D CA 1.110 55.131 54.000 0.035 0.000 1.227 352 D CB -0.082 40.720 40.800 0.004 0.000 0.926 352 D HN 0.054 nan 8.370 nan 0.000 0.212 353 D N -1.829 118.574 120.400 0.003 0.000 2.331 353 D HA -0.003 4.638 4.640 0.001 0.000 0.300 353 D C 1.663 177.960 176.300 -0.003 0.000 1.090 353 D CA 0.777 54.780 54.000 0.004 0.000 0.905 353 D CB -0.260 40.542 40.800 0.004 0.000 1.600 353 D HN 0.334 nan 8.370 nan 0.000 0.511 354 T N 0.013 114.559 114.554 -0.014 0.000 2.946 354 T HA -0.091 4.259 4.350 0.001 0.000 0.271 354 T C 0.377 175.061 174.700 -0.026 0.000 1.104 354 T CA 0.924 63.012 62.100 -0.019 0.000 1.114 354 T CB -0.002 68.850 68.868 -0.026 0.000 0.867 354 T HN -0.024 nan 8.240 nan 0.000 0.513 355 L N 1.261 122.463 121.223 -0.035 0.000 2.572 355 L HA 0.368 4.709 4.340 0.001 0.000 0.249 355 L C -2.339 174.515 176.870 -0.027 0.000 1.114 355 L CA -0.951 53.861 54.840 -0.045 0.000 0.933 355 L CB 1.740 43.738 42.059 -0.102 0.000 1.131 355 L HN -0.208 nan 8.230 nan 0.000 0.507 356 P HA 0.007 nan 4.420 nan 0.000 0.220 356 P C 0.265 177.675 177.300 0.182 0.000 1.152 356 P CA 1.111 64.267 63.100 0.093 0.000 0.812 356 P CB 0.278 32.014 31.700 0.059 0.000 0.792 357 V N -3.242 116.748 119.914 0.127 0.000 2.914 357 V HA 0.560 4.681 4.120 0.001 0.000 0.314 357 V C -0.650 175.500 176.094 0.092 0.000 1.084 357 V CA -1.734 60.663 62.300 0.160 0.000 0.963 357 V CB 2.017 33.889 31.823 0.083 0.000 1.025 357 V HN -0.168 nan 8.190 nan 0.000 0.432 358 L N 3.519 124.806 121.223 0.106 0.000 2.295 358 L HA 0.581 4.921 4.340 0.001 0.000 0.288 358 L C 0.520 177.328 176.870 -0.103 0.000 1.079 358 L CA 0.630 55.443 54.840 -0.045 0.000 0.830 358 L CB 0.940 42.939 42.059 -0.099 0.000 1.200 358 L HN 0.992 nan 8.230 nan 0.000 0.438 359 S N 4.666 120.327 115.700 -0.065 0.000 2.430 359 S HA 0.757 5.228 4.470 0.001 0.000 0.289 359 S C -0.120 174.469 174.600 -0.018 0.000 1.143 359 S CA -0.304 57.888 58.200 -0.014 0.000 1.067 359 S CB 0.396 63.627 63.200 0.052 0.000 0.964 359 S HN 0.847 nan 8.310 nan 0.000 0.485 360 A N 4.627 127.422 122.820 -0.041 0.000 2.328 360 A HA 0.771 5.092 4.320 0.001 0.000 0.318 360 A C 0.305 177.989 177.584 0.167 0.000 1.347 360 A CA -0.567 51.497 52.037 0.046 0.000 0.842 360 A CB 0.353 19.209 19.000 -0.239 0.000 1.148 360 A HN 1.127 nan 8.150 nan 0.000 0.499 361 A N 3.708 126.644 122.820 0.194 0.000 2.287 361 A HA 0.770 5.091 4.320 0.001 0.000 0.273 361 A C -2.531 175.091 177.584 0.063 0.000 1.091 361 A CA -1.739 50.370 52.037 0.119 0.000 0.817 361 A CB -0.297 18.768 19.000 0.109 0.000 1.069 361 A HN 0.532 nan 8.150 nan 0.000 0.492 362 P HA 0.147 nan 4.420 nan 0.000 0.261 362 P C 0.616 177.769 177.300 -0.244 0.000 1.165 362 P CA 2.276 65.344 63.100 -0.053 0.000 0.759 362 P CB 0.634 32.381 31.700 0.078 0.000 0.772 363 A N 2.467 125.017 122.820 -0.449 0.000 3.553 363 A HA -0.255 4.065 4.320 0.001 0.000 0.261 363 A C 0.592 177.897 177.584 -0.465 0.000 1.096 363 A CA 0.846 52.517 52.037 -0.609 0.000 1.308 363 A CB -2.381 16.037 19.000 -0.971 0.000 1.084 363 A HN 0.569 nan 8.150 nan 0.000 0.914 364 E N -0.232 119.803 120.200 -0.274 0.000 2.383 364 E HA 0.439 4.790 4.350 0.001 0.000 0.264 364 E C 0.219 176.653 176.600 -0.276 0.000 1.050 364 E CA -0.176 56.082 56.400 -0.237 0.000 0.896 364 E CB 0.362 30.009 29.700 -0.088 0.000 0.982 364 E HN 0.506 nan 8.360 nan 0.000 0.424 365 R N 1.527 121.789 120.500 -0.396 0.000 2.637 365 R HA 0.463 4.803 4.340 0.001 0.000 0.291 365 R C -1.090 174.896 176.300 -0.523 0.000 0.963 365 R CA -0.487 55.453 56.100 -0.267 0.000 0.901 365 R CB 1.142 31.378 30.300 -0.106 0.000 1.160 365 R HN 0.348 nan 8.270 nan 0.000 0.457 366 F N 0.660 120.602 119.950 -0.012 0.000 2.499 366 F HA 0.219 4.746 4.527 0.001 0.000 0.333 366 F C -0.184 175.630 175.800 0.024 0.000 1.138 366 F CA -0.976 57.032 58.000 0.014 0.000 0.945 366 F CB 1.759 40.766 39.000 0.012 0.000 1.181 366 F HN 0.316 nan 8.300 nan 0.000 0.435 367 D N 5.026 125.517 120.400 0.151 0.000 2.365 367 D HA 0.381 5.022 4.640 0.001 0.000 0.237 367 D C -0.890 175.491 176.300 0.136 0.000 1.190 367 D CA 0.137 54.207 54.000 0.117 0.000 0.867 367 D CB 0.627 41.471 40.800 0.074 0.000 1.050 367 D HN 0.452 nan 8.370 nan 0.000 0.491 368 L N 4.142 125.445 121.223 0.133 0.000 2.341 368 L HA 0.444 4.785 4.340 0.001 0.000 0.278 368 L C -0.109 176.828 176.870 0.112 0.000 1.005 368 L CA -0.948 53.968 54.840 0.125 0.000 0.818 368 L CB 1.860 43.984 42.059 0.108 0.000 1.259 368 L HN 0.174 nan 8.230 nan 0.000 0.418 369 L N 4.105 125.420 121.223 0.153 0.000 2.307 369 L HA 0.574 4.915 4.340 0.001 0.000 0.282 369 L C -0.387 176.572 176.870 0.148 0.000 1.051 369 L CA -0.959 53.998 54.840 0.195 0.000 0.804 369 L CB 1.846 44.094 42.059 0.316 0.000 1.197 369 L HN 0.367 nan 8.230 nan 0.000 0.431 370 V N -1.240 118.646 119.914 -0.047 0.000 2.409 370 V HA 0.357 4.477 4.120 0.001 0.000 0.290 370 V C -0.665 174.975 176.094 -0.756 0.000 1.017 370 V CA -0.763 61.260 62.300 -0.461 0.000 0.841 370 V CB 1.557 32.905 31.823 -0.792 0.000 1.003 370 V HN 0.619 nan 8.190 nan 0.000 0.426 371 D N 3.919 123.787 120.400 -0.887 0.000 2.374 371 D HA 0.334 4.975 4.640 0.001 0.000 0.240 371 D C 0.107 175.959 176.300 -0.747 0.000 1.229 371 D CA -0.408 52.852 54.000 -1.234 0.000 0.895 371 D CB 0.658 40.598 40.800 -1.433 0.000 1.046 371 D HN 0.491 nan 8.370 nan 0.000 0.498 372 F N 2.263 121.985 119.950 -0.381 0.000 2.732 372 F HA 0.261 4.789 4.527 0.001 0.000 0.303 372 F C 2.135 177.835 175.800 -0.166 0.000 1.110 372 F CA -0.249 57.614 58.000 -0.228 0.000 1.355 372 F CB -0.001 38.898 39.000 -0.168 0.000 1.081 372 F HN 0.286 nan 8.300 nan 0.000 0.565 373 R N 0.412 120.864 120.500 -0.081 0.000 2.117 373 R HA -0.109 4.232 4.340 0.001 0.000 0.243 373 R C 1.695 178.000 176.300 0.008 0.000 1.143 373 R CA 1.362 57.450 56.100 -0.020 0.000 0.968 373 R CB -0.349 29.927 30.300 -0.041 0.000 0.863 373 R HN 0.195 nan 8.270 nan 0.000 0.444 374 A N 0.071 122.885 122.820 -0.010 0.000 2.640 374 A HA 0.233 4.554 4.320 0.001 0.000 0.282 374 A C 0.838 178.429 177.584 0.012 0.000 1.357 374 A CA -0.033 52.006 52.037 0.004 0.000 0.946 374 A CB 0.181 19.179 19.000 -0.003 0.000 1.065 374 A HN 0.191 nan 8.150 nan 0.000 0.541 375 L N -0.888 120.349 121.223 0.024 0.000 3.410 375 L HA 0.246 4.587 4.340 0.001 0.000 0.309 375 L C 1.207 178.067 176.870 -0.016 0.000 1.254 375 L CA -0.401 54.450 54.840 0.019 0.000 1.048 375 L CB 0.745 42.847 42.059 0.072 0.000 1.442 375 L HN 0.434 nan 8.230 nan 0.000 0.615 376 G N -0.502 108.292 108.800 -0.010 0.000 2.391 376 G HA2 0.311 4.272 3.960 0.001 0.000 0.234 376 G HA3 0.311 4.272 3.960 0.001 0.000 0.234 376 G C 1.161 176.040 174.900 -0.034 0.000 1.284 376 G CA 0.651 45.736 45.100 -0.025 0.000 0.873 376 G HN 0.442 nan 8.290 nan 0.000 0.549 377 G N 1.048 109.819 108.800 -0.048 0.000 2.155 377 G HA2 -0.258 3.703 3.960 0.001 0.000 0.257 377 G HA3 -0.258 3.703 3.960 0.001 0.000 0.257 377 G C 0.623 175.488 174.900 -0.058 0.000 0.983 377 G CA 0.591 45.661 45.100 -0.049 0.000 0.676 377 G HN 0.790 nan 8.290 nan 0.000 0.528 378 R N -0.648 119.809 120.500 -0.072 0.000 2.787 378 R HA 0.721 5.062 4.340 0.001 0.000 0.271 378 R C 0.112 176.352 176.300 -0.099 0.000 0.993 378 R CA -0.877 55.181 56.100 -0.071 0.000 0.993 378 R CB 1.101 31.371 30.300 -0.049 0.000 1.155 378 R HN 0.268 nan 8.270 nan 0.000 0.486 379 R N 1.032 121.479 120.500 -0.089 0.000 2.494 379 R HA 0.574 4.914 4.340 0.001 0.000 0.305 379 R C -0.633 175.619 176.300 -0.080 0.000 0.959 379 R CA -0.430 55.604 56.100 -0.109 0.000 0.864 379 R CB 1.393 31.619 30.300 -0.124 0.000 1.159 379 R HN 0.352 nan 8.270 nan 0.000 0.446 380 L N 2.689 123.880 121.223 -0.054 0.000 2.381 380 L HA 0.638 4.979 4.340 0.001 0.000 0.268 380 L C -0.309 176.564 176.870 0.005 0.000 0.997 380 L CA -1.027 53.815 54.840 0.003 0.000 0.818 380 L CB 2.385 44.493 42.059 0.082 0.000 1.310 380 L HN 0.425 nan 8.230 nan 0.000 0.416 381 R N 1.669 122.151 120.500 -0.030 0.000 2.562 381 R HA 0.571 4.911 4.340 0.001 0.000 0.298 381 R C -1.253 175.055 176.300 0.014 0.000 0.961 381 R CA -0.981 55.083 56.100 -0.060 0.000 0.881 381 R CB 2.227 32.481 30.300 -0.077 0.000 1.159 381 R HN 0.257 nan 8.270 nan 0.000 0.450 382 L N 4.337 125.601 121.223 0.068 0.000 2.281 382 L HA 0.321 4.662 4.340 0.001 0.000 0.285 382 L C -0.395 176.503 176.870 0.048 0.000 1.074 382 L CA -0.170 54.707 54.840 0.061 0.000 0.817 382 L CB 1.365 43.504 42.059 0.134 0.000 1.168 382 L HN 0.504 nan 8.230 nan 0.000 0.434 383 V N 0.973 120.892 119.914 0.009 0.000 3.046 383 V HA 0.669 4.790 4.120 0.001 0.000 0.316 383 V C -0.660 175.476 176.094 0.070 0.000 1.104 383 V CA -1.008 61.317 62.300 0.042 0.000 1.006 383 V CB 2.018 33.841 31.823 0.001 0.000 1.058 383 V HN 0.661 nan 8.190 nan 0.000 0.440 384 D N 1.800 122.272 120.400 0.120 0.000 2.280 384 D HA 0.281 4.922 4.640 0.001 0.000 0.243 384 D C -0.338 175.978 176.300 0.027 0.000 1.129 384 D CA -0.120 53.956 54.000 0.126 0.000 0.848 384 D CB 1.451 42.362 40.800 0.184 0.000 1.107 384 D HN 0.818 nan 8.370 nan 0.000 0.471 385 K N 2.766 123.168 120.400 0.003 0.000 2.248 385 K HA 0.533 4.854 4.320 0.001 0.000 0.281 385 K C 0.269 176.842 176.600 -0.045 0.000 1.054 385 K CA -0.714 55.558 56.287 -0.025 0.000 0.903 385 K CB 0.821 33.309 32.500 -0.020 0.000 1.077 385 K HN 0.469 nan 8.250 nan 0.000 0.474 386 G N 3.897 112.660 108.800 -0.061 0.000 2.503 386 G HA2 0.145 4.106 3.960 0.001 0.000 0.257 386 G HA3 0.145 4.106 3.960 0.001 0.000 0.257 386 G C -1.497 173.362 174.900 -0.069 0.000 1.214 386 G CA -1.331 43.720 45.100 -0.082 0.000 0.839 386 G HN 0.586 nan 8.290 nan 0.000 0.559 387 P HA -0.039 nan 4.420 nan 0.000 0.225 387 P C 1.306 178.574 177.300 -0.054 0.000 1.148 387 P CA 1.410 64.473 63.100 -0.061 0.000 0.779 387 P CB 0.338 31.996 31.700 -0.070 0.000 0.780 388 G N -1.537 107.226 108.800 -0.062 0.000 3.159 388 G HA2 0.496 4.457 3.960 0.001 0.000 0.232 388 G HA3 0.496 4.457 3.960 0.001 0.000 0.232 388 G C 0.257 175.126 174.900 -0.051 0.000 1.116 388 G CA 0.481 45.547 45.100 -0.056 0.000 0.767 388 G HN 0.531 nan 8.290 nan 0.000 0.547 389 A N -0.142 122.648 122.820 -0.051 0.000 2.606 389 A HA 0.807 5.128 4.320 0.001 0.000 0.293 389 A C -3.065 174.495 177.584 -0.041 0.000 1.082 389 A CA -1.220 50.789 52.037 -0.046 0.000 0.685 389 A CB 1.201 20.168 19.000 -0.054 0.000 1.284 389 A HN -0.027 nan 8.150 nan 0.000 0.408 390 P HA 0.344 nan 4.420 nan 0.000 0.269 390 P C -0.007 177.270 177.300 -0.039 0.000 1.217 390 P CA 0.206 63.286 63.100 -0.033 0.000 0.783 390 P CB 0.458 32.140 31.700 -0.030 0.000 0.898 391 A N 1.813 124.609 122.820 -0.040 0.000 2.524 391 A HA 0.419 4.740 4.320 0.001 0.000 0.250 391 A C 1.515 179.068 177.584 -0.052 0.000 1.078 391 A CA 0.827 52.833 52.037 -0.052 0.000 0.761 391 A CB -1.496 17.461 19.000 -0.073 0.000 1.012 391 A HN 0.871 nan 8.150 nan 0.000 0.500 392 G N 2.083 110.855 108.800 -0.047 0.000 2.234 392 G HA2 -0.200 3.760 3.960 0.001 0.000 0.235 392 G HA3 -0.200 3.760 3.960 0.001 0.000 0.235 392 G C 0.437 175.312 174.900 -0.043 0.000 0.997 392 G CA 0.408 45.484 45.100 -0.041 0.000 0.623 392 G HN 1.189 nan 8.290 nan 0.000 0.514 393 T N 3.686 118.213 114.554 -0.046 0.000 2.771 393 T HA 0.547 4.898 4.350 0.001 0.000 0.291 393 T C -2.238 172.424 174.700 -0.063 0.000 0.954 393 T CA -0.768 61.301 62.100 -0.050 0.000 1.045 393 T CB 2.019 70.860 68.868 -0.046 0.000 0.917 393 T HN 0.076 nan 8.240 nan 0.000 0.484 394 P HA 0.186 nan 4.420 nan 0.000 0.266 394 P C -0.463 176.772 177.300 -0.107 0.000 1.195 394 P CA -0.012 63.026 63.100 -0.103 0.000 0.768 394 P CB 0.406 32.033 31.700 -0.121 0.000 0.838 395 D N 3.196 123.521 120.400 -0.125 0.000 2.735 395 D HA 0.159 4.800 4.640 0.001 0.000 0.291 395 D C -1.782 174.429 176.300 -0.148 0.000 1.205 395 D CA -2.028 51.900 54.000 -0.120 0.000 0.777 395 D CB 0.388 41.127 40.800 -0.101 0.000 1.234 395 D HN 0.040 nan 8.370 nan 0.000 0.520 396 P HA -0.156 nan 4.420 nan 0.000 0.215 396 P C 1.902 179.107 177.300 -0.157 0.000 1.153 396 P CA 0.624 63.610 63.100 -0.190 0.000 0.853 396 P CB 0.607 32.190 31.700 -0.194 0.000 0.788 397 L N -0.788 120.358 121.223 -0.129 0.000 2.127 397 L HA -0.089 4.252 4.340 0.001 0.000 0.211 397 L C 2.437 179.232 176.870 -0.125 0.000 1.089 397 L CA 1.723 56.496 54.840 -0.113 0.000 0.757 397 L CB -1.130 40.875 42.059 -0.090 0.000 0.899 397 L HN 0.077 nan 8.230 nan 0.000 0.434 398 G N -2.061 106.659 108.800 -0.133 0.000 3.141 398 G HA2 0.290 4.251 3.960 0.001 0.000 0.218 398 G HA3 0.290 4.251 3.960 0.001 0.000 0.218 398 G C 1.117 175.904 174.900 -0.189 0.000 1.170 398 G CA 0.412 45.424 45.100 -0.147 0.000 0.769 398 G HN 0.487 nan 8.290 nan 0.000 0.546 399 G N -1.214 107.464 108.800 -0.203 0.000 2.141 399 G HA2 -0.208 3.753 3.960 0.001 0.000 0.242 399 G HA3 -0.208 3.753 3.960 0.001 0.000 0.242 399 G C 0.103 174.872 174.900 -0.218 0.000 0.982 399 G CA 0.147 45.098 45.100 -0.248 0.000 0.662 399 G HN 0.911 nan 8.290 nan 0.000 0.527 400 V N 0.905 120.708 119.914 -0.186 0.000 2.383 400 V HA 0.371 4.492 4.120 0.001 0.000 0.261 400 V C 1.399 177.382 176.094 -0.185 0.000 0.987 400 V CA 0.253 62.461 62.300 -0.154 0.000 0.853 400 V CB 0.787 32.539 31.823 -0.119 0.000 1.095 400 V HN 0.418 nan 8.190 nan 0.000 0.461 401 R N 2.540 122.878 120.500 -0.271 0.000 2.096 401 R HA -0.044 4.297 4.340 0.001 0.000 0.235 401 R C -0.196 175.783 176.300 -0.535 0.000 1.127 401 R CA 1.584 57.389 56.100 -0.491 0.000 0.968 401 R CB 0.136 29.997 30.300 -0.732 0.000 0.861 401 R HN 0.576 nan 8.270 nan 0.000 0.440 402 Y N -0.649 119.601 120.300 -0.084 0.000 2.426 402 Y HA 0.333 4.883 4.550 0.001 0.000 0.325 402 Y C -1.886 173.942 175.900 -0.120 0.000 0.989 402 Y CA -2.715 55.305 58.100 -0.133 0.000 1.284 402 Y CB 2.140 40.570 38.460 -0.050 0.000 1.104 402 Y HN 0.065 nan 8.280 nan 0.000 0.481 403 P HA -0.165 nan 4.420 nan 0.000 0.220 403 P C -0.029 177.264 177.300 -0.012 0.000 1.148 403 P CA 1.071 64.165 63.100 -0.011 0.000 0.803 403 P CB 0.190 31.867 31.700 -0.038 0.000 0.782 404 E N -0.050 120.031 120.200 -0.198 0.000 2.414 404 E HA 0.010 4.360 4.350 0.001 0.000 0.263 404 E C 0.404 177.030 176.600 0.043 0.000 1.000 404 E CA 0.139 56.413 56.400 -0.210 0.000 0.914 404 E CB 1.084 30.381 29.700 -0.673 0.000 0.948 404 E HN -0.015 nan 8.360 nan 0.000 0.444 405 V N 2.741 122.791 119.914 0.227 0.000 2.870 405 V HA 0.174 4.295 4.120 0.001 0.000 0.232 405 V C 0.762 177.068 176.094 0.354 0.000 1.161 405 V CA 1.420 63.900 62.300 0.301 0.000 1.204 405 V CB -0.038 31.866 31.823 0.135 0.000 1.003 405 V HN 0.890 nan 8.190 nan 0.000 0.499 406 M N -0.813 118.919 119.600 0.220 0.000 2.880 406 M HA 0.633 5.114 4.480 0.001 0.000 0.269 406 M C -1.464 174.624 176.300 -0.354 0.000 1.248 406 M CA -0.594 54.753 55.300 0.077 0.000 0.821 406 M CB 2.681 35.193 32.600 -0.147 0.000 1.650 406 M HN 0.060 nan 8.290 nan 0.000 0.479 407 E N 0.996 120.784 120.200 -0.687 0.000 2.210 407 E HA 0.611 4.962 4.350 0.001 0.000 0.266 407 E C -2.117 174.114 176.600 -0.615 0.000 0.883 407 E CA -0.616 55.305 56.400 -0.799 0.000 0.761 407 E CB 1.826 30.752 29.700 -1.289 0.000 1.156 407 E HN 0.575 nan 8.360 nan 0.000 0.412 408 F N 2.736 122.525 119.950 -0.268 0.000 2.408 408 F HA 0.448 4.975 4.527 0.001 0.000 0.344 408 F C 0.528 176.130 175.800 -0.330 0.000 1.112 408 F CA -0.661 57.157 58.000 -0.303 0.000 1.096 408 F CB 1.312 40.075 39.000 -0.395 0.000 1.129 408 F HN 0.233 nan 8.300 nan 0.000 0.486 409 R N 2.802 123.211 120.500 -0.151 0.000 2.310 409 R HA 0.471 4.812 4.340 0.001 0.000 0.316 409 R C -1.469 174.703 176.300 -0.214 0.000 1.004 409 R CA -0.708 55.286 56.100 -0.176 0.000 0.900 409 R CB 1.479 31.680 30.300 -0.164 0.000 1.152 409 R HN 0.379 nan 8.270 nan 0.000 0.513 410 V N 3.803 123.565 119.914 -0.254 0.000 2.432 410 V HA 0.218 4.338 4.120 0.001 0.000 0.271 410 V C 0.831 176.839 176.094 -0.142 0.000 1.046 410 V CA -0.499 61.634 62.300 -0.278 0.000 0.945 410 V CB 0.894 32.522 31.823 -0.326 0.000 0.992 410 V HN 0.563 nan 8.190 nan 0.000 0.471 411 R N 3.635 124.075 120.500 -0.100 0.000 2.340 411 R HA 0.201 4.542 4.340 0.001 0.000 0.300 411 R C 0.135 176.422 176.300 -0.021 0.000 1.069 411 R CA -0.377 55.695 56.100 -0.047 0.000 0.984 411 R CB 0.666 30.954 30.300 -0.020 0.000 1.003 411 R HN 0.844 nan 8.270 nan 0.000 0.459 412 E N 2.633 122.823 120.200 -0.015 0.000 2.265 412 E HA 0.050 4.401 4.350 0.001 0.000 0.272 412 E C -0.802 175.807 176.600 0.014 0.000 1.067 412 E CA 0.211 56.611 56.400 0.001 0.000 0.900 412 E CB 0.732 30.430 29.700 -0.003 0.000 1.017 412 E HN 0.479 nan 8.360 nan 0.000 0.431 413 T N 2.761 117.332 114.554 0.028 0.000 2.949 413 T HA 0.181 4.532 4.350 0.001 0.000 0.287 413 T C 0.335 175.055 174.700 0.034 0.000 1.034 413 T CA -0.788 61.332 62.100 0.034 0.000 1.018 413 T CB 1.404 70.301 68.868 0.048 0.000 1.135 413 T HN 0.558 nan 8.240 nan 0.000 0.532 414 C N 1.148 120.467 119.300 0.032 0.000 2.693 414 C HA 0.236 4.697 4.460 0.001 0.000 0.286 414 C C 0.979 175.992 174.990 0.039 0.000 1.277 414 C CA -0.119 58.918 59.018 0.031 0.000 1.705 414 C CB -1.613 26.142 27.740 0.025 0.000 1.879 414 C HN 0.735 nan 8.230 nan 0.000 0.607 415 E N 1.273 121.502 120.200 0.048 0.000 2.277 415 E HA 0.205 4.556 4.350 0.001 0.000 0.274 415 E C -0.190 176.451 176.600 0.069 0.000 1.022 415 E CA -0.077 56.356 56.400 0.054 0.000 0.853 415 E CB 0.700 30.434 29.700 0.056 0.000 1.086 415 E HN 0.282 nan 8.360 nan 0.000 0.397 416 E N 2.169 122.411 120.200 0.069 0.000 2.109 416 E HA 0.102 4.452 4.350 0.001 0.000 0.278 416 E C -1.183 175.482 176.600 0.108 0.000 0.954 416 E CA -0.414 56.037 56.400 0.084 0.000 0.779 416 E CB 1.184 30.924 29.700 0.066 0.000 1.093 416 E HN 0.353 nan 8.360 nan 0.000 0.401 417 D N 1.606 122.101 120.400 0.159 0.000 2.347 417 D HA 0.080 4.720 4.640 0.001 0.000 0.235 417 D C 0.504 176.942 176.300 0.230 0.000 1.149 417 D CA -0.155 53.976 54.000 0.220 0.000 0.850 417 D CB 0.813 41.821 40.800 0.347 0.000 1.061 417 D HN 0.234 nan 8.370 nan 0.000 0.487 418 S N 3.452 119.239 115.700 0.145 0.000 2.557 418 S HA 0.070 4.541 4.470 0.001 0.000 0.223 418 S C 0.831 175.434 174.600 0.005 0.000 0.969 418 S CA -0.700 57.549 58.200 0.081 0.000 0.927 418 S CB -0.454 62.767 63.200 0.034 0.000 0.806 418 S HN 0.422 nan 8.310 nan 0.000 0.489 419 F N 3.608 123.462 119.950 -0.160 0.000 2.568 419 F HA 0.247 4.775 4.527 0.001 0.000 0.394 419 F C 0.411 175.942 175.800 -0.449 0.000 1.032 419 F CA -0.236 57.536 58.000 -0.380 0.000 1.242 419 F CB 0.021 38.638 39.000 -0.639 0.000 0.966 419 F HN 0.296 nan 8.300 nan 0.000 0.560 420 A N 7.409 129.507 122.820 -1.202 0.000 2.318 420 A HA 0.618 4.939 4.320 0.001 0.000 0.324 420 A C -1.555 175.249 177.584 -1.301 0.000 1.170 420 A CA -0.798 50.682 52.037 -0.928 0.000 0.810 420 A CB 1.162 19.851 19.000 -0.517 0.000 1.198 420 A HN 0.821 nan 8.150 nan 0.000 0.484 421 L N 5.240 125.956 121.223 -0.846 0.000 2.276 421 L HA 0.611 4.951 4.340 0.001 0.000 0.286 421 L C -2.069 174.616 176.870 -0.309 0.000 1.024 421 L CA -1.442 53.057 54.840 -0.568 0.000 0.826 421 L CB 1.009 42.834 42.059 -0.389 0.000 1.211 421 L HN 0.557 nan 8.230 nan 0.000 0.422 422 P HA 0.323 nan 4.420 nan 0.000 0.278 422 P C -0.101 177.142 177.300 -0.096 0.000 1.258 422 P CA -0.441 62.565 63.100 -0.157 0.000 0.811 422 P CB 1.005 32.621 31.700 -0.140 0.000 1.063 423 E N -0.312 119.848 120.200 -0.068 0.000 2.152 423 E HA 0.017 4.368 4.350 0.001 0.000 0.192 423 E C 0.250 176.827 176.600 -0.038 0.000 0.983 423 E CA 0.930 57.306 56.400 -0.041 0.000 0.818 423 E CB -0.035 29.647 29.700 -0.031 0.000 0.758 423 E HN 0.199 nan 8.360 nan 0.000 0.467 424 V N 2.322 122.211 119.914 -0.041 0.000 2.398 424 V HA 0.127 4.248 4.120 0.001 0.000 0.286 424 V C 1.263 177.333 176.094 -0.039 0.000 1.026 424 V CA -0.145 62.134 62.300 -0.035 0.000 0.868 424 V CB 1.849 33.660 31.823 -0.020 0.000 0.982 424 V HN 0.080 nan 8.190 nan 0.000 0.443 425 L N 2.627 123.827 121.223 -0.038 0.000 2.130 425 L HA 0.196 4.537 4.340 0.001 0.000 0.200 425 L C 1.289 178.155 176.870 -0.007 0.000 1.075 425 L CA 0.957 55.780 54.840 -0.029 0.000 0.768 425 L CB 0.423 42.465 42.059 -0.029 0.000 0.933 425 L HN 0.661 nan 8.230 nan 0.000 0.451 426 S N -0.745 114.959 115.700 0.007 0.000 2.438 426 S HA 0.375 4.846 4.470 0.001 0.000 0.316 426 S C 0.892 175.540 174.600 0.080 0.000 1.084 426 S CA -0.344 57.891 58.200 0.057 0.000 1.107 426 S CB 1.638 64.902 63.200 0.107 0.000 0.981 426 S HN 0.331 nan 8.310 nan 0.000 0.466 427 G N 2.642 111.478 108.800 0.059 0.000 2.443 427 G HA2 -0.138 3.823 3.960 0.001 0.000 0.219 427 G HA3 -0.138 3.823 3.960 0.001 0.000 0.219 427 G C 1.470 176.417 174.900 0.079 0.000 1.131 427 G CA 0.925 46.059 45.100 0.056 0.000 0.775 427 G HN 0.875 nan 8.290 nan 0.000 0.547 428 S N -0.532 115.227 115.700 0.099 0.000 2.496 428 S HA 0.208 4.679 4.470 0.001 0.000 0.224 428 S C 0.807 175.484 174.600 0.128 0.000 0.996 428 S CA -0.622 57.630 58.200 0.088 0.000 0.927 428 S CB -0.277 62.963 63.200 0.067 0.000 0.774 428 S HN 0.151 nan 8.310 nan 0.000 0.524 429 F N 4.560 124.536 119.950 0.043 0.000 2.571 429 F HA 0.362 4.889 4.527 0.001 0.000 0.384 429 F C 0.382 176.194 175.800 0.020 0.000 1.058 429 F CA -0.448 57.581 58.000 0.048 0.000 1.200 429 F CB 0.431 39.430 39.000 -0.003 0.000 1.077 429 F HN -0.039 nan 8.300 nan 0.000 0.558 430 R N 5.076 125.161 120.500 -0.693 0.000 2.393 430 R HA 0.260 4.600 4.340 0.001 0.000 0.315 430 R C -0.675 175.138 176.300 -0.811 0.000 0.952 430 R CA -1.255 54.540 56.100 -0.509 0.000 0.842 430 R CB 1.396 31.550 30.300 -0.244 0.000 1.163 430 R HN 0.615 nan 8.270 nan 0.000 0.450 431 R N 3.076 123.320 120.500 -0.426 0.000 2.421 431 R HA 0.083 4.424 4.340 0.001 0.000 0.305 431 R C 0.142 176.345 176.300 -0.163 0.000 1.039 431 R CA 0.097 56.074 56.100 -0.205 0.000 1.003 431 R CB 0.321 30.660 30.300 0.066 0.000 0.959 431 R HN 0.406 nan 8.270 nan 0.000 0.427 432 M N 3.449 122.967 119.600 -0.136 0.000 2.338 432 M HA -0.037 4.444 4.480 0.001 0.000 0.360 432 M C 0.100 176.368 176.300 -0.054 0.000 1.547 432 M CA 0.856 56.105 55.300 -0.084 0.000 1.001 432 M CB 0.142 32.717 32.600 -0.041 0.000 2.008 432 M HN 0.688 nan 8.290 nan 0.000 0.464 433 S N 2.739 118.393 115.700 -0.076 0.000 2.480 433 S HA 0.138 4.609 4.470 0.001 0.000 0.286 433 S C 1.221 175.790 174.600 -0.051 0.000 1.180 433 S CA -0.514 57.663 58.200 -0.038 0.000 1.075 433 S CB 0.456 63.633 63.200 -0.039 0.000 0.996 433 S HN 0.754 nan 8.310 nan 0.000 0.487 434 H N 3.228 122.255 119.070 -0.072 0.000 2.541 434 H HA -0.071 4.486 4.556 0.001 0.000 0.289 434 H C 0.192 175.549 175.328 0.047 0.000 1.054 434 H CA 1.459 57.470 56.048 -0.062 0.000 1.250 434 H CB 0.228 29.990 29.762 -0.000 0.000 1.369 434 H HN 0.659 nan 8.280 nan 0.000 0.578 435 D N 0.350 120.770 120.400 0.032 0.000 2.363 435 D HA 0.026 4.666 4.640 0.001 0.000 0.220 435 D C 0.782 177.053 176.300 -0.048 0.000 0.994 435 D CA 0.157 54.165 54.000 0.014 0.000 0.890 435 D CB 0.287 41.097 40.800 0.018 0.000 0.906 435 D HN 0.389 nan 8.370 nan 0.000 0.530 436 I N 1.649 122.149 120.570 -0.118 0.000 2.575 436 I HA 0.096 4.266 4.170 0.001 0.000 0.285 436 I C -2.058 174.024 176.117 -0.058 0.000 1.085 436 I CA -1.886 59.307 61.300 -0.177 0.000 1.403 436 I CB 0.599 38.328 38.000 -0.451 0.000 1.409 436 I HN -0.362 nan 8.210 nan 0.000 0.557 437 P HA 0.069 nan 4.420 nan 0.000 0.267 437 P C -1.161 176.146 177.300 0.012 0.000 1.209 437 P CA 0.477 63.548 63.100 -0.048 0.000 0.763 437 P CB 0.279 31.959 31.700 -0.034 0.000 0.816 438 H N 0.843 119.843 119.070 -0.118 0.000 3.046 438 H HA 0.611 5.167 4.556 0.001 0.000 0.361 438 H C -0.439 174.794 175.328 -0.159 0.000 1.235 438 H CA -1.153 54.828 56.048 -0.111 0.000 1.146 438 H CB 0.916 30.567 29.762 -0.185 0.000 1.859 438 H HN 0.440 nan 8.280 nan 0.000 0.548 439 G N 0.155 108.925 108.800 -0.049 0.000 2.547 439 G HA2 0.426 4.387 3.960 0.001 0.000 0.291 439 G HA3 0.426 4.387 3.960 0.001 0.000 0.291 439 G C -1.230 173.560 174.900 -0.184 0.000 1.211 439 G CA -0.493 44.553 45.100 -0.088 0.000 0.950 439 G HN 0.690 nan 8.290 nan 0.000 0.504 440 H N -0.421 118.654 119.070 0.008 0.000 2.589 440 H HA 0.533 5.090 4.556 0.001 0.000 0.351 440 H C -0.182 175.005 175.328 -0.235 0.000 1.074 440 H CA -0.751 55.293 56.048 -0.006 0.000 1.203 440 H CB 1.709 31.485 29.762 0.023 0.000 1.558 440 H HN 0.195 nan 8.280 nan 0.000 0.522 441 R N 2.006 122.313 120.500 -0.322 0.000 2.637 441 R HA 0.429 4.769 4.340 0.001 0.000 0.291 441 R C -1.177 174.867 176.300 -0.427 0.000 0.963 441 R CA -1.245 54.440 56.100 -0.691 0.000 0.901 441 R CB 2.354 31.640 30.300 -1.690 0.000 1.160 441 R HN 0.419 nan 8.270 nan 0.000 0.457 442 L N 3.466 124.492 121.223 -0.328 0.000 2.305 442 L HA 0.491 4.832 4.340 0.001 0.000 0.284 442 L C -1.090 175.661 176.870 -0.198 0.000 1.013 442 L CA -0.402 54.267 54.840 -0.285 0.000 0.819 442 L CB 1.105 42.950 42.059 -0.356 0.000 1.227 442 L HN 0.411 nan 8.230 nan 0.000 0.417 443 I N 6.756 127.199 120.570 -0.212 0.000 2.411 443 I HA 0.333 4.504 4.170 0.001 0.000 0.284 443 I C -0.280 175.844 176.117 0.011 0.000 1.012 443 I CA -0.607 60.667 61.300 -0.044 0.000 1.119 443 I CB 1.542 39.510 38.000 -0.053 0.000 1.261 443 I HN 0.220 nan 8.210 nan 0.000 0.448 444 V N 7.125 127.062 119.914 0.038 0.000 2.465 444 V HA 0.365 4.486 4.120 0.001 0.000 0.279 444 V C 0.340 176.383 176.094 -0.085 0.000 1.045 444 V CA -0.536 61.730 62.300 -0.057 0.000 0.938 444 V CB 1.898 33.658 31.823 -0.105 0.000 0.986 444 V HN 0.412 nan 8.190 nan 0.000 0.467 445 L N 5.656 126.788 121.223 -0.150 0.000 2.276 445 L HA 0.474 4.815 4.340 0.001 0.000 0.286 445 L C 0.500 177.156 176.870 -0.356 0.000 1.024 445 L CA -0.356 54.354 54.840 -0.216 0.000 0.826 445 L CB 1.349 43.338 42.059 -0.116 0.000 1.211 445 L HN 0.738 nan 8.230 nan 0.000 0.422 446 T N 0.635 114.891 114.554 -0.496 0.000 2.928 446 T HA 0.551 4.902 4.350 0.001 0.000 0.284 446 T C -2.474 172.062 174.700 -0.273 0.000 1.008 446 T CA -2.052 59.692 62.100 -0.593 0.000 1.057 446 T CB 1.606 69.902 68.868 -0.954 0.000 1.018 446 T HN 0.263 nan 8.240 nan 0.000 0.493 447 P HA 0.271 nan 4.420 nan 0.000 0.274 447 P C -2.156 175.149 177.300 0.008 0.000 1.237 447 P CA -1.708 61.380 63.100 -0.021 0.000 0.793 447 P CB 0.240 31.961 31.700 0.034 0.000 0.977 448 P HA -0.112 nan 4.420 nan 0.000 0.215 448 P C 1.354 178.682 177.300 0.046 0.000 1.153 448 P CA 1.860 64.990 63.100 0.049 0.000 0.853 448 P CB -0.480 31.259 31.700 0.065 0.000 0.788 449 G N -0.878 107.953 108.800 0.051 0.000 3.332 449 G HA2 0.009 3.969 3.960 0.001 0.000 0.242 449 G HA3 0.009 3.969 3.960 0.001 0.000 0.242 449 G C 0.010 174.952 174.900 0.070 0.000 1.276 449 G CA 0.033 45.162 45.100 0.048 0.000 0.988 449 G HN 0.165 nan 8.290 nan 0.000 0.517 450 T N 0.681 115.297 114.554 0.103 0.000 2.832 450 T HA 0.211 4.562 4.350 0.001 0.000 0.296 450 T C 0.597 175.398 174.700 0.169 0.000 0.968 450 T CA -0.394 61.804 62.100 0.163 0.000 1.107 450 T CB 1.515 70.516 68.868 0.220 0.000 0.916 450 T HN 0.417 nan 8.240 nan 0.000 0.517 451 K N 1.925 122.413 120.400 0.146 0.000 2.543 451 K HA 0.080 4.401 4.320 0.001 0.000 0.279 451 K C 1.395 178.098 176.600 0.171 0.000 1.001 451 K CA 1.194 57.556 56.287 0.125 0.000 1.088 451 K CB -0.438 32.118 32.500 0.092 0.000 0.863 451 K HN 0.883 nan 8.250 nan 0.000 0.488 452 G N 2.065 110.934 108.800 0.115 0.000 2.212 452 G HA2 -0.362 3.599 3.960 0.001 0.000 0.266 452 G HA3 -0.362 3.599 3.960 0.001 0.000 0.266 452 G C 0.698 175.681 174.900 0.138 0.000 0.978 452 G CA 0.869 46.037 45.100 0.113 0.000 0.632 452 G HN 0.901 nan 8.290 nan 0.000 0.537 453 S N -0.018 115.776 115.700 0.157 0.000 2.548 453 S HA 0.409 4.879 4.470 0.001 0.000 0.215 453 S C 2.179 176.828 174.600 0.082 0.000 0.976 453 S CA 1.352 59.650 58.200 0.163 0.000 0.908 453 S CB 0.069 63.379 63.200 0.184 0.000 0.781 453 S HN 2.326 nan 8.310 nan 0.000 0.519 454 G N 0.758 109.572 108.800 0.024 0.000 2.203 454 G HA2 0.020 3.981 3.960 0.001 0.000 0.263 454 G HA3 0.020 3.981 3.960 0.001 0.000 0.263 454 G C 1.121 175.875 174.900 -0.244 0.000 1.012 454 G CA 0.482 45.544 45.100 -0.062 0.000 0.749 454 G HN 1.887 nan 8.290 nan 0.000 0.512 455 G N -2.044 106.656 108.800 -0.166 0.000 2.176 455 G HA2 -0.197 3.764 3.960 0.001 0.000 0.232 455 G HA3 -0.197 3.764 3.960 0.001 0.000 0.232 455 G C 0.121 174.918 174.900 -0.172 0.000 0.986 455 G CA 0.614 45.604 45.100 -0.183 0.000 0.643 455 G HN 1.265 nan 8.290 nan 0.000 0.522 456 H N 1.422 120.528 119.070 0.060 0.000 2.479 456 H HA 0.469 5.026 4.556 0.001 0.000 0.335 456 H C -2.168 173.157 175.328 -0.005 0.000 1.142 456 H CA -1.676 54.392 56.048 0.034 0.000 1.234 456 H CB 1.587 31.375 29.762 0.043 0.000 1.503 456 H HN 0.185 nan 8.280 nan 0.000 0.510 457 P HA 0.109 nan 4.420 nan 0.000 0.272 457 P C -0.468 176.785 177.300 -0.079 0.000 1.230 457 P CA -0.054 63.005 63.100 -0.070 0.000 0.788 457 P CB 1.579 33.187 31.700 -0.154 0.000 0.949 458 E N 0.379 120.509 120.200 -0.116 0.000 2.429 458 E HA 0.493 4.844 4.350 0.001 0.000 0.276 458 E C -0.609 175.965 176.600 -0.044 0.000 0.953 458 E CA -0.964 55.432 56.400 -0.006 0.000 0.787 458 E CB 1.750 31.584 29.700 0.223 0.000 1.307 458 E HN 0.338 nan 8.360 nan 0.000 0.458 459 I N 1.592 122.223 120.570 0.102 0.000 2.342 459 I HA 0.206 4.376 4.170 0.001 0.000 0.291 459 I C -0.906 175.451 176.117 0.400 0.000 1.010 459 I CA -0.267 61.142 61.300 0.182 0.000 1.308 459 I CB 0.496 38.608 38.000 0.186 0.000 1.400 459 I HN 0.249 nan 8.210 nan 0.000 0.488 460 W N 5.325 126.637 121.300 0.020 0.000 2.411 460 W HA 0.409 5.070 4.660 0.001 0.000 0.317 460 W C -0.090 176.438 176.519 0.014 0.000 1.030 460 W CA -0.998 56.353 57.345 0.009 0.000 1.239 460 W CB 0.803 30.260 29.460 -0.006 0.000 1.304 460 W HN 0.394 nan 8.180 nan 0.000 0.437 461 E N 3.463 123.757 120.200 0.157 0.000 2.289 461 E HA 0.339 4.690 4.350 0.001 0.000 0.278 461 E C 0.089 176.751 176.600 0.102 0.000 1.032 461 E CA -0.305 56.154 56.400 0.099 0.000 0.854 461 E CB 0.901 30.569 29.700 -0.054 0.000 1.046 461 E HN 0.068 nan 8.360 nan 0.000 0.409 462 M N 1.580 121.247 119.600 0.112 0.000 2.598 462 M HA 0.606 5.087 4.480 0.001 0.000 0.317 462 M C -0.559 175.818 176.300 0.129 0.000 1.179 462 M CA -0.960 54.407 55.300 0.111 0.000 0.936 462 M CB 1.626 34.263 32.600 0.061 0.000 1.713 462 M HN 0.516 nan 8.290 nan 0.000 0.460 463 A N 1.339 124.258 122.820 0.165 0.000 2.371 463 A HA 0.558 4.878 4.320 0.001 0.000 0.311 463 A C -0.518 177.197 177.584 0.218 0.000 1.068 463 A CA -0.699 51.435 52.037 0.163 0.000 0.744 463 A CB 1.089 20.144 19.000 0.091 0.000 1.239 463 A HN 0.863 nan 8.150 nan 0.000 0.435 464 E N 1.712 122.042 120.200 0.217 0.000 2.414 464 E HA 0.331 4.682 4.350 0.001 0.000 0.263 464 E C -0.576 175.987 176.600 -0.061 0.000 1.000 464 E CA -0.121 56.273 56.400 -0.011 0.000 0.914 464 E CB 0.531 30.201 29.700 -0.050 0.000 0.948 464 E HN 0.425 nan 8.360 nan 0.000 0.444 465 V N 4.185 124.021 119.914 -0.130 0.000 2.567 465 V HA 0.298 4.419 4.120 0.001 0.000 0.289 465 V C 0.122 176.163 176.094 -0.087 0.000 1.049 465 V CA -0.282 61.971 62.300 -0.078 0.000 0.969 465 V CB 1.405 33.189 31.823 -0.064 0.000 0.995 465 V HN 0.806 nan 8.190 nan 0.000 0.471 473 V N 3.791 123.715 119.914 0.017 0.000 2.924 473 V HA 0.381 4.502 4.120 0.001 0.000 0.305 473 V C -1.640 174.465 176.094 0.019 0.000 1.073 473 V CA -0.620 61.696 62.300 0.026 0.000 1.098 473 V CB 0.952 32.795 31.823 0.034 0.000 1.000 473 V HN 0.531 nan 8.190 nan 0.000 0.484 474 P HA 0.710 nan 4.420 nan 0.000 0.292 474 P C -1.309 176.003 177.300 0.020 0.000 1.283 474 P CA -0.473 62.641 63.100 0.023 0.000 0.835 474 P CB 1.753 33.461 31.700 0.013 0.000 1.017 475 A N 0.951 123.790 122.820 0.032 0.000 2.566 475 A HA 0.402 4.723 4.320 0.001 0.000 0.297 475 A C -0.450 177.162 177.584 0.046 0.000 1.059 475 A CA -0.796 51.258 52.037 0.028 0.000 0.691 475 A CB 0.920 19.934 19.000 0.024 0.000 1.282 475 A HN 0.632 nan 8.150 nan 0.000 0.401 476 E N 0.924 121.144 120.200 0.033 0.000 2.694 476 E HA 0.281 4.632 4.350 0.001 0.000 0.250 476 E C 1.222 177.849 176.600 0.044 0.000 0.963 476 E CA 1.538 57.967 56.400 0.047 0.000 0.949 476 E CB -0.030 29.682 29.700 0.019 0.000 0.911 476 E HN 2.192 nan 8.360 nan 0.000 0.500 477 G N 2.673 111.539 108.800 0.109 0.000 2.176 477 G HA2 -0.261 3.700 3.960 0.001 0.000 0.253 477 G HA3 -0.261 3.700 3.960 0.001 0.000 0.253 477 G C 0.022 175.009 174.900 0.146 0.000 0.979 477 G CA 0.106 45.212 45.100 0.010 0.000 0.641 477 G HN 0.561 nan 8.290 nan 0.000 0.530 478 V N 1.738 121.765 119.914 0.188 0.000 2.370 478 V HA 0.679 4.800 4.120 0.001 0.000 0.279 478 V C 0.417 176.671 176.094 0.268 0.000 1.029 478 V CA -0.505 61.907 62.300 0.186 0.000 0.870 478 V CB 1.550 33.437 31.823 0.107 0.000 0.984 478 V HN 0.309 nan 8.190 nan 0.000 0.451 479 I N 4.757 125.505 120.570 0.296 0.000 2.436 479 I HA 0.466 4.636 4.170 0.001 0.000 0.289 479 I C -0.239 176.052 176.117 0.290 0.000 1.010 479 I CA -0.468 61.022 61.300 0.316 0.000 1.098 479 I CB 1.987 40.174 38.000 0.311 0.000 1.266 479 I HN 0.555 nan 8.210 nan 0.000 0.434 480 Q N 4.878 124.816 119.800 0.230 0.000 2.309 480 Q HA 0.728 5.068 4.340 0.001 0.000 0.264 480 Q C -1.300 174.826 176.000 0.209 0.000 1.008 480 Q CA -0.898 55.024 55.803 0.198 0.000 0.853 480 Q CB 3.379 32.190 28.738 0.121 0.000 1.314 480 Q HN 0.394 nan 8.270 nan 0.000 0.448 481 V N 1.517 121.574 119.914 0.238 0.000 2.569 481 V HA 0.289 4.409 4.120 0.001 0.000 0.301 481 V C -0.565 175.647 176.094 0.198 0.000 1.044 481 V CA -0.778 61.658 62.300 0.227 0.000 0.874 481 V CB 2.087 34.055 31.823 0.242 0.000 1.002 481 V HN 0.780 nan 8.190 nan 0.000 0.424 482 T N 4.247 118.906 114.554 0.175 0.000 2.762 482 T HA 0.467 4.818 4.350 0.001 0.000 0.303 482 T C 0.769 175.551 174.700 0.138 0.000 0.977 482 T CA 0.014 62.191 62.100 0.129 0.000 0.961 482 T CB 1.042 69.967 68.868 0.094 0.000 0.944 482 T HN 0.937 nan 8.240 nan 0.000 0.481 483 G N 1.598 110.471 108.800 0.122 0.000 2.683 483 G HA2 0.400 4.360 3.960 0.001 0.000 0.260 483 G HA3 0.400 4.360 3.960 0.001 0.000 0.260 483 G C 1.272 176.204 174.900 0.053 0.000 1.238 483 G CA -0.232 44.929 45.100 0.101 0.000 0.934 483 G HN 0.778 nan 8.290 nan 0.000 0.534 484 A N -0.045 122.794 122.820 0.032 0.000 1.940 484 A HA -0.108 4.213 4.320 0.001 0.000 0.219 484 A C 1.894 179.483 177.584 0.008 0.000 1.176 484 A CA 2.256 54.296 52.037 0.004 0.000 0.631 484 A CB -0.451 18.546 19.000 -0.004 0.000 0.814 484 A HN 0.680 nan 8.150 nan 0.000 0.446 485 D N -1.961 118.449 120.400 0.016 0.000 2.352 485 D HA 0.270 4.910 4.640 0.001 0.000 0.232 485 D C 1.164 177.473 176.300 0.015 0.000 1.055 485 D CA 0.897 54.904 54.000 0.013 0.000 0.891 485 D CB -0.760 40.048 40.800 0.013 0.000 0.897 485 D HN 0.780 nan 8.370 nan 0.000 0.529 486 G N 0.454 109.266 108.800 0.021 0.000 2.184 486 G HA2 -0.383 3.578 3.960 0.001 0.000 0.264 486 G HA3 -0.383 3.578 3.960 0.001 0.000 0.264 486 G C 0.366 175.281 174.900 0.026 0.000 0.975 486 G CA 0.198 45.311 45.100 0.022 0.000 0.642 486 G HN 0.690 nan 8.290 nan 0.000 0.536 487 R N 0.746 121.262 120.500 0.027 0.000 2.441 487 R HA 0.546 4.886 4.340 0.001 0.000 0.284 487 R C -0.558 175.763 176.300 0.037 0.000 1.070 487 R CA 0.185 56.300 56.100 0.024 0.000 1.047 487 R CB 0.540 30.849 30.300 0.016 0.000 1.016 487 R HN 0.063 nan 8.270 nan 0.000 0.477 488 T N 4.671 119.242 114.554 0.028 0.000 2.758 488 T HA 0.299 4.649 4.350 0.001 0.000 0.285 488 T C -0.612 174.089 174.700 0.002 0.000 0.981 488 T CA -0.583 61.540 62.100 0.038 0.000 0.965 488 T CB 1.037 69.926 68.868 0.035 0.000 0.927 488 T HN 0.488 nan 8.240 nan 0.000 0.448 489 K N 1.625 122.025 120.400 -0.001 0.000 2.139 489 K HA 0.681 5.001 4.320 0.001 0.000 0.243 489 K C -0.213 176.229 176.600 -0.262 0.000 0.983 489 K CA -0.784 55.406 56.287 -0.161 0.000 0.890 489 K CB 1.316 33.675 32.500 -0.235 0.000 1.090 489 K HN 0.375 nan 8.250 nan 0.000 0.445 490 T N 1.562 115.840 114.554 -0.459 0.000 2.812 490 T HA 0.439 4.790 4.350 0.001 0.000 0.282 490 T C -1.392 172.991 174.700 -0.527 0.000 0.990 490 T CA -0.626 61.277 62.100 -0.328 0.000 0.960 490 T CB 0.285 69.073 68.868 -0.134 0.000 0.948 490 T HN 0.285 nan 8.240 nan 0.000 0.438 491 Y N 1.296 121.625 120.300 0.048 0.000 2.446 491 Y HA 0.652 5.203 4.550 0.001 0.000 0.345 491 Y C 0.368 176.306 175.900 0.062 0.000 0.984 491 Y CA -1.263 56.865 58.100 0.048 0.000 1.058 491 Y CB 1.740 40.231 38.460 0.052 0.000 1.220 491 Y HN 0.426 nan 8.280 nan 0.000 0.455 492 R N 2.556 123.170 120.500 0.189 0.000 2.562 492 R HA 0.476 4.817 4.340 0.001 0.000 0.298 492 R C -0.668 175.681 176.300 0.082 0.000 0.961 492 R CA -0.978 55.187 56.100 0.108 0.000 0.881 492 R CB 1.240 31.568 30.300 0.048 0.000 1.159 492 R HN 0.844 nan 8.270 nan 0.000 0.450 493 R N 2.353 122.858 120.500 0.010 0.000 2.421 493 R HA 0.018 4.358 4.340 0.001 0.000 0.305 493 R C 0.206 176.436 176.300 -0.117 0.000 1.039 493 R CA 0.740 56.780 56.100 -0.101 0.000 1.003 493 R CB 0.630 30.675 30.300 -0.426 0.000 0.959 493 R HN 0.890 nan 8.270 nan 0.000 0.427 494 T N 0.612 115.122 114.554 -0.073 0.000 3.015 494 T HA 0.348 4.699 4.350 0.001 0.000 0.250 494 T C 0.352 174.992 174.700 -0.100 0.000 1.057 494 T CA 0.229 62.289 62.100 -0.066 0.000 1.066 494 T CB 0.583 69.445 68.868 -0.011 0.000 0.959 494 T HN 0.538 nan 8.240 nan 0.000 0.488 495 A N 1.408 124.153 122.820 -0.125 0.000 2.594 495 A HA 0.754 5.075 4.320 0.001 0.000 0.295 495 A C 0.322 177.820 177.584 -0.144 0.000 1.071 495 A CA -0.967 50.992 52.037 -0.130 0.000 0.685 495 A CB 1.346 20.278 19.000 -0.115 0.000 1.285 495 A HN 0.339 nan 8.150 nan 0.000 0.405 496 R N -0.218 120.212 120.500 -0.116 0.000 2.556 496 R HA 0.365 4.705 4.340 0.001 0.000 0.276 496 R C 0.072 176.430 176.300 0.096 0.000 0.931 496 R CA 0.712 56.793 56.100 -0.031 0.000 1.061 496 R CB 0.814 31.005 30.300 -0.182 0.000 1.432 496 R HN 0.633 nan 8.270 nan 0.000 0.547 497 T N -1.010 113.567 114.554 0.038 0.000 2.843 497 T HA 0.234 4.585 4.350 0.001 0.000 0.302 497 T C -0.281 174.454 174.700 0.058 0.000 1.232 497 T CA -0.806 61.339 62.100 0.074 0.000 1.009 497 T CB 1.289 70.206 68.868 0.082 0.000 1.254 497 T HN 0.128 nan 8.240 nan 0.000 0.504 498 F N 2.808 122.736 119.950 -0.036 0.000 2.087 498 F HA -0.133 4.395 4.527 0.001 0.000 0.299 498 F C 1.649 177.434 175.800 -0.025 0.000 1.100 498 F CA 2.163 60.129 58.000 -0.056 0.000 1.226 498 F CB 0.046 39.002 39.000 -0.074 0.000 0.983 498 F HN 0.644 nan 8.300 nan 0.000 0.479 499 N N -0.050 118.565 118.700 -0.141 0.000 2.314 499 N HA -0.018 4.723 4.740 0.001 0.000 0.200 499 N C -0.648 174.760 175.510 -0.169 0.000 1.135 499 N CA -0.299 52.601 53.050 -0.250 0.000 0.835 499 N CB -0.047 38.412 38.487 -0.047 0.000 0.989 499 N HN 0.181 nan 8.380 nan 0.000 0.478 500 D N 0.258 120.573 120.400 -0.141 0.000 2.368 500 D HA 0.048 4.688 4.640 0.001 0.000 0.240 500 D C 0.938 177.156 176.300 -0.137 0.000 1.169 500 D CA 0.200 54.132 54.000 -0.114 0.000 0.906 500 D CB 0.464 41.206 40.800 -0.098 0.000 1.187 500 D HN 0.134 nan 8.370 nan 0.000 0.435 501 G N 0.566 109.307 108.800 -0.099 0.000 2.257 501 G HA2 0.063 4.023 3.960 0.001 0.000 0.235 501 G HA3 0.063 4.023 3.960 0.001 0.000 0.235 501 G C 0.263 175.108 174.900 -0.092 0.000 1.225 501 G CA -0.324 44.724 45.100 -0.085 0.000 0.878 501 G HN 0.423 nan 8.290 nan 0.000 0.505 502 L N 2.890 124.067 121.223 -0.076 0.000 2.593 502 L HA 0.324 4.665 4.340 0.001 0.000 0.287 502 L C 1.347 178.202 176.870 -0.025 0.000 1.243 502 L CA 1.618 56.430 54.840 -0.046 0.000 0.890 502 L CB 0.705 42.760 42.059 -0.006 0.000 1.134 502 L HN 0.509 nan 8.230 nan 0.000 0.502 503 G N 4.031 112.803 108.800 -0.046 0.000 2.853 503 G HA2 0.070 4.030 3.960 0.001 0.000 0.202 503 G HA3 0.070 4.030 3.960 0.001 0.000 0.202 503 G C -0.081 174.987 174.900 0.281 0.000 1.118 503 G CA -0.184 44.925 45.100 0.016 0.000 0.831 503 G HN 0.427 nan 8.290 nan 0.000 0.613 504 F N 2.841 122.847 119.950 0.092 0.000 2.350 504 F HA 0.527 5.055 4.527 0.001 0.000 0.365 504 F C 0.112 176.001 175.800 0.148 0.000 1.122 504 F CA -1.358 56.685 58.000 0.071 0.000 1.139 504 F CB 0.631 39.654 39.000 0.038 0.000 1.220 504 F HN -0.245 nan 8.300 nan 0.000 0.499 505 T N 5.139 119.849 114.554 0.259 0.000 2.824 505 T HA 0.746 5.097 4.350 0.001 0.000 0.280 505 T C -0.009 174.762 174.700 0.118 0.000 0.995 505 T CA -0.475 61.740 62.100 0.192 0.000 1.009 505 T CB 1.495 70.441 68.868 0.130 0.000 0.955 505 T HN 0.275 nan 8.240 nan 0.000 0.452 506 I N 1.677 122.324 120.570 0.129 0.000 2.534 506 I HA 0.415 4.586 4.170 0.001 0.000 0.288 506 I C 0.721 176.901 176.117 0.106 0.000 1.077 506 I CA -1.139 60.187 61.300 0.044 0.000 1.051 506 I CB 2.008 39.930 38.000 -0.130 0.000 1.234 506 I HN 0.753 nan 8.210 nan 0.000 0.425 507 G N 4.540 113.392 108.800 0.087 0.000 2.361 507 G HA2 0.082 4.043 3.960 0.001 0.000 0.260 507 G HA3 0.082 4.043 3.960 0.001 0.000 0.260 507 G C 0.032 175.026 174.900 0.156 0.000 1.261 507 G CA -0.156 45.017 45.100 0.122 0.000 0.897 507 G HN 0.667 nan 8.290 nan 0.000 0.499 508 E N 1.499 121.831 120.200 0.221 0.000 2.442 508 E HA 0.201 4.552 4.350 0.001 0.000 0.262 508 E C 1.429 178.109 176.600 0.133 0.000 1.004 508 E CA 1.315 57.839 56.400 0.208 0.000 0.928 508 E CB 0.618 30.501 29.700 0.304 0.000 0.937 508 E HN 1.083 nan 8.360 nan 0.000 0.446 509 G N 3.293 112.135 108.800 0.069 0.000 2.199 509 G HA2 -0.298 3.662 3.960 0.001 0.000 0.254 509 G HA3 -0.298 3.662 3.960 0.001 0.000 0.254 509 G C 0.505 175.404 174.900 -0.002 0.000 0.982 509 G CA 0.770 45.879 45.100 0.016 0.000 0.632 509 G HN 0.821 nan 8.290 nan 0.000 0.529 510 T N -1.489 113.096 114.554 0.051 0.000 2.849 510 T HA 0.620 4.971 4.350 0.001 0.000 0.284 510 T C -0.031 174.685 174.700 0.026 0.000 1.004 510 T CA -0.117 62.033 62.100 0.083 0.000 1.021 510 T CB 1.635 70.566 68.868 0.105 0.000 1.013 510 T HN 0.375 nan 8.240 nan 0.000 0.527 511 H N -0.306 118.824 119.070 0.100 0.000 2.472 511 H HA 0.612 5.169 4.556 0.001 0.000 0.338 511 H C -0.155 175.271 175.328 0.163 0.000 1.133 511 H CA -0.668 55.436 56.048 0.094 0.000 1.216 511 H CB 1.236 31.007 29.762 0.016 0.000 1.497 511 H HN 0.668 nan 8.280 nan 0.000 0.500 512 E N 1.394 121.796 120.200 0.337 0.000 2.293 512 E HA 0.157 4.508 4.350 0.001 0.000 0.270 512 E C -1.034 175.727 176.600 0.268 0.000 0.879 512 E CA -0.973 55.623 56.400 0.326 0.000 0.756 512 E CB 2.918 32.915 29.700 0.495 0.000 1.208 512 E HN 0.495 nan 8.360 nan 0.000 0.428 513 Q N 2.659 122.550 119.800 0.151 0.000 2.274 513 Q HA 0.222 4.562 4.340 0.001 0.000 0.256 513 Q C -1.483 174.719 176.000 0.336 0.000 0.927 513 Q CA -0.570 55.315 55.803 0.136 0.000 0.939 513 Q CB 0.733 29.477 28.738 0.011 0.000 1.201 513 Q HN 0.378 nan 8.270 nan 0.000 0.426 514 W N 2.505 123.730 121.300 -0.125 0.000 2.478 514 W HA 0.384 5.045 4.660 0.001 0.000 0.318 514 W C -0.542 175.754 176.519 -0.372 0.000 1.062 514 W CA -0.706 56.435 57.345 -0.339 0.000 1.210 514 W CB 2.008 31.140 29.460 -0.547 0.000 1.325 514 W HN 0.438 nan 8.180 nan 0.000 0.496 515 T N 4.296 118.735 114.554 -0.191 0.000 2.771 515 T HA 0.472 4.823 4.350 0.001 0.000 0.281 515 T C -0.916 173.589 174.700 -0.326 0.000 0.982 515 T CA -0.360 61.640 62.100 -0.166 0.000 0.978 515 T CB 0.245 69.061 68.868 -0.087 0.000 0.930 515 T HN -0.022 nan 8.240 nan 0.000 0.447 516 F N 3.425 123.383 119.950 0.013 0.000 2.361 516 F HA 0.477 5.005 4.527 0.001 0.000 0.364 516 F C -0.038 175.738 175.800 -0.039 0.000 1.120 516 F CA -1.040 56.969 58.000 0.015 0.000 1.102 516 F CB 0.992 40.033 39.000 0.069 0.000 1.183 516 F HN 0.258 nan 8.300 nan 0.000 0.476 517 L N 5.411 126.657 121.223 0.038 0.000 2.301 517 L HA 0.449 4.790 4.340 0.001 0.000 0.278 517 L C -0.635 176.170 176.870 -0.107 0.000 1.022 517 L CA -0.394 54.373 54.840 -0.122 0.000 0.854 517 L CB 0.420 42.305 42.059 -0.290 0.000 1.226 517 L HN 0.422 nan 8.230 nan 0.000 0.429 518 N N 4.812 123.483 118.700 -0.048 0.000 2.414 518 N HA 0.224 4.965 4.740 0.001 0.000 0.256 518 N C 0.257 175.714 175.510 -0.088 0.000 1.029 518 N CA -0.105 52.929 53.050 -0.028 0.000 0.948 518 N CB 0.885 39.422 38.487 0.083 0.000 1.102 518 N HN 0.768 nan 8.380 nan 0.000 0.496 519 L N 1.437 122.552 121.223 -0.180 0.000 2.611 519 L HA 0.149 4.490 4.340 0.001 0.000 0.229 519 L C 0.776 177.585 176.870 -0.100 0.000 1.137 519 L CA -0.082 54.635 54.840 -0.206 0.000 0.901 519 L CB -0.357 41.421 42.059 -0.469 0.000 1.098 519 L HN 0.477 nan 8.230 nan 0.000 0.456 520 S N -1.386 114.290 115.700 -0.040 0.000 2.751 520 S HA 0.575 5.046 4.470 0.001 0.000 0.310 520 S C -2.399 172.222 174.600 0.035 0.000 1.128 520 S CA -1.155 57.051 58.200 0.010 0.000 0.931 520 S CB 1.922 65.142 63.200 0.033 0.000 1.177 520 S HN -0.187 nan 8.310 nan 0.000 0.530 521 P HA 0.406 nan 4.420 nan 0.000 0.266 521 P C -0.424 176.881 177.300 0.008 0.000 1.381 521 P CA -0.084 63.032 63.100 0.026 0.000 0.940 521 P CB -0.229 31.484 31.700 0.021 0.000 1.435 522 I N 1.033 121.606 120.570 0.005 0.000 2.325 522 I HA 0.167 4.338 4.170 0.001 0.000 0.291 522 I C 0.814 176.803 176.117 -0.213 0.000 1.019 522 I CA -0.974 60.275 61.300 -0.085 0.000 1.302 522 I CB 1.360 39.313 38.000 -0.079 0.000 1.401 522 I HN -0.145 nan 8.210 nan 0.000 0.485 523 L N 7.501 128.618 121.223 -0.176 0.000 2.433 523 L HA 0.139 4.479 4.340 0.001 0.000 0.275 523 L C -0.368 176.346 176.870 -0.259 0.000 1.128 523 L CA 0.059 54.824 54.840 -0.125 0.000 0.875 523 L CB -0.218 41.822 42.059 -0.031 0.000 1.171 523 L HN 0.548 nan 8.230 nan 0.000 0.463 524 H N 6.016 125.151 119.070 0.108 0.000 2.504 524 H HA 0.345 4.901 4.556 0.001 0.000 0.322 524 H C -2.322 173.064 175.328 0.098 0.000 1.055 524 H CA -2.112 54.014 56.048 0.129 0.000 1.231 524 H CB 1.299 31.132 29.762 0.119 0.000 1.417 524 H HN 0.437 nan 8.280 nan 0.000 0.472 525 P HA 0.101 nan 4.420 nan 0.000 0.286 525 P C -0.147 177.251 177.300 0.164 0.000 1.321 525 P CA -0.399 62.794 63.100 0.155 0.000 0.790 525 P CB 0.616 32.401 31.700 0.143 0.000 0.897 526 M N 3.603 123.240 119.600 0.061 0.000 2.188 526 M HA 0.273 4.754 4.480 0.001 0.000 0.357 526 M C 0.084 176.412 176.300 0.047 0.000 1.204 526 M CA -0.399 54.892 55.300 -0.015 0.000 1.095 526 M CB 0.290 32.593 32.600 -0.495 0.000 1.604 526 M HN 0.444 nan 8.290 nan 0.000 0.464 527 H N 2.886 121.945 119.070 -0.018 0.000 2.589 527 H HA 0.681 5.237 4.556 0.001 0.000 0.351 527 H C -1.695 173.685 175.328 0.086 0.000 1.074 527 H CA -0.566 55.460 56.048 -0.037 0.000 1.203 527 H CB 1.034 30.828 29.762 0.052 0.000 1.558 527 H HN 0.681 nan 8.280 nan 0.000 0.522 528 I N 5.535 125.904 120.570 -0.336 0.000 2.355 528 I HA 0.211 4.382 4.170 0.001 0.000 0.288 528 I C 0.445 176.435 176.117 -0.212 0.000 0.999 528 I CA -0.630 60.583 61.300 -0.144 0.000 1.163 528 I CB 1.043 38.883 38.000 -0.267 0.000 1.316 528 I HN 0.585 nan 8.210 nan 0.000 0.454 529 H N 4.922 123.911 119.070 -0.135 0.000 2.822 529 H HA 0.060 4.617 4.556 0.001 0.000 0.373 529 H C 0.963 176.334 175.328 0.072 0.000 1.223 529 H CA 0.073 56.133 56.048 0.020 0.000 1.436 529 H CB 1.086 30.997 29.762 0.249 0.000 1.439 529 H HN 0.695 nan 8.280 nan 0.000 0.618 530 L N -0.025 121.198 121.223 0.001 0.000 3.153 530 L HA -0.328 4.013 4.340 0.001 0.000 0.369 530 L C 0.048 176.815 176.870 -0.172 0.000 3.110 530 L CA 2.240 56.931 54.840 -0.249 0.000 2.423 530 L CB -1.471 40.118 42.059 -0.784 0.000 2.474 530 L HN 0.714 nan 8.230 nan 0.000 0.797 531 A N 0.319 123.056 122.820 -0.138 0.000 2.279 531 A HA 0.589 4.909 4.320 0.001 0.000 0.303 531 A C -0.393 177.057 177.584 -0.223 0.000 1.108 531 A CA 0.108 51.901 52.037 -0.407 0.000 0.830 531 A CB 0.270 18.586 19.000 -1.140 0.000 1.106 531 A HN 0.393 nan 8.150 nan 0.000 0.493 532 D N 0.065 120.267 120.400 -0.330 0.000 2.210 532 D HA 0.600 5.241 4.640 0.001 0.000 0.249 532 D C -1.133 174.947 176.300 -0.366 0.000 1.078 532 D CA 0.701 54.643 54.000 -0.097 0.000 0.875 532 D CB 0.961 41.773 40.800 0.018 0.000 1.175 532 D HN 0.274 nan 8.370 nan 0.000 0.440 533 F N 0.411 120.435 119.950 0.124 0.000 2.611 533 F HA 0.353 4.880 4.527 0.001 0.000 0.324 533 F C 0.428 176.348 175.800 0.200 0.000 1.061 533 F CA -0.803 57.264 58.000 0.111 0.000 0.954 533 F CB 1.589 40.697 39.000 0.181 0.000 1.301 533 F HN 0.002 nan 8.300 nan 0.000 0.482 534 Q N 0.715 120.692 119.800 0.294 0.000 2.365 534 Q HA 0.584 4.925 4.340 0.001 0.000 0.269 534 Q C -1.324 174.756 176.000 0.133 0.000 1.061 534 Q CA -1.175 54.763 55.803 0.225 0.000 0.816 534 Q CB 2.966 31.794 28.738 0.150 0.000 1.325 534 Q HN 0.358 nan 8.270 nan 0.000 0.446 535 V N 3.906 123.890 119.914 0.116 0.000 2.521 535 V HA 0.009 4.129 4.120 0.001 0.000 0.286 535 V C 0.867 176.992 176.094 0.052 0.000 1.034 535 V CA 0.542 62.863 62.300 0.035 0.000 1.045 535 V CB 0.317 32.185 31.823 0.076 0.000 0.974 535 V HN 0.774 nan 8.190 nan 0.000 0.480 536 L N 3.724 124.967 121.223 0.033 0.000 2.537 536 L HA 0.528 4.869 4.340 0.001 0.000 0.224 536 L C 0.972 177.863 176.870 0.035 0.000 1.065 536 L CA 0.673 55.537 54.840 0.040 0.000 0.860 536 L CB 0.439 42.523 42.059 0.042 0.000 1.086 536 L HN 0.829 nan 8.230 nan 0.000 0.482 537 G N 0.240 109.062 108.800 0.037 0.000 2.473 537 G HA2 0.454 4.415 3.960 0.001 0.000 0.298 537 G HA3 0.454 4.415 3.960 0.001 0.000 0.298 537 G C -1.556 173.380 174.900 0.059 0.000 1.575 537 G CA -0.750 44.375 45.100 0.042 0.000 0.846 537 G HN -0.120 nan 8.290 nan 0.000 0.585 538 R N 0.528 121.066 120.500 0.063 0.000 2.803 538 R HA 0.704 5.044 4.340 0.001 0.000 0.276 538 R C -1.474 174.872 176.300 0.076 0.000 0.978 538 R CA -0.951 55.200 56.100 0.086 0.000 0.939 538 R CB 2.459 32.808 30.300 0.081 0.000 1.179 538 R HN 0.495 nan 8.270 nan 0.000 0.472 539 D N 0.559 121.026 120.400 0.112 0.000 2.859 539 D HA 0.250 4.891 4.640 0.001 0.000 0.223 539 D C -1.008 175.325 176.300 0.056 0.000 1.218 539 D CA -0.530 53.489 54.000 0.031 0.000 0.850 539 D CB 2.348 43.112 40.800 -0.060 0.000 1.656 539 D HN 0.582 nan 8.370 nan 0.000 0.484 540 A N 2.020 124.822 122.820 -0.029 0.000 2.425 540 A HA 0.451 4.772 4.320 0.001 0.000 0.249 540 A C -1.122 176.383 177.584 -0.133 0.000 1.084 540 A CA 0.235 52.278 52.037 0.010 0.000 0.781 540 A CB 0.133 19.131 19.000 -0.003 0.000 1.019 540 A HN 0.484 nan 8.150 nan 0.000 0.490 541 Y N 0.147 120.462 120.300 0.024 0.000 2.509 541 Y HA 0.344 4.895 4.550 0.001 0.000 0.341 541 Y C 0.214 176.130 175.900 0.026 0.000 1.038 541 Y CA -0.624 57.490 58.100 0.024 0.000 1.089 541 Y CB 1.795 40.267 38.460 0.021 0.000 1.241 541 Y HN 0.696 nan 8.280 nan 0.000 0.468 542 D N 1.799 122.301 120.400 0.170 0.000 2.347 542 D HA 0.294 4.935 4.640 0.001 0.000 0.235 542 D C -0.165 176.232 176.300 0.161 0.000 1.149 542 D CA 0.108 54.187 54.000 0.131 0.000 0.850 542 D CB 1.427 42.279 40.800 0.086 0.000 1.061 542 D HN 0.713 nan 8.370 nan 0.000 0.487 543 A N 2.996 125.896 122.820 0.134 0.000 2.460 543 A HA 0.064 4.384 4.320 0.001 0.000 0.258 543 A C 1.753 179.420 177.584 0.139 0.000 1.300 543 A CA 0.186 52.296 52.037 0.121 0.000 0.913 543 A CB -0.218 18.820 19.000 0.063 0.000 1.031 543 A HN 0.527 nan 8.150 nan 0.000 0.512 544 S N -0.892 114.878 115.700 0.116 0.000 2.447 544 S HA -0.034 4.437 4.470 0.001 0.000 0.233 544 S C 1.857 176.521 174.600 0.107 0.000 1.006 544 S CA 1.152 59.413 58.200 0.102 0.000 0.957 544 S CB -0.664 62.580 63.200 0.073 0.000 0.773 544 S HN 0.614 nan 8.310 nan 0.000 0.507 545 G N 0.547 109.419 108.800 0.121 0.000 2.470 545 G HA2 -0.028 3.933 3.960 0.001 0.000 0.220 545 G HA3 -0.028 3.933 3.960 0.001 0.000 0.220 545 G C 0.246 175.235 174.900 0.147 0.000 1.121 545 G CA -0.006 45.164 45.100 0.118 0.000 0.766 545 G HN 0.575 nan 8.290 nan 0.000 0.553 546 F N 1.592 121.562 119.950 0.034 0.000 2.456 546 F HA 0.346 4.874 4.527 0.001 0.000 0.358 546 F C -0.252 175.562 175.800 0.022 0.000 1.095 546 F CA -1.102 56.914 58.000 0.026 0.000 1.216 546 F CB 1.040 40.037 39.000 -0.006 0.000 1.125 546 F HN -0.067 nan 8.300 nan 0.000 0.549 547 D N 7.583 127.573 120.400 -0.685 0.000 2.461 547 D HA 0.137 4.778 4.640 0.001 0.000 0.240 547 D C 1.008 176.976 176.300 -0.555 0.000 1.094 547 D CA -0.284 53.468 54.000 -0.415 0.000 0.868 547 D CB 0.955 41.612 40.800 -0.239 0.000 1.062 547 D HN 0.682 nan 8.370 nan 0.000 0.530 548 L N 2.672 123.708 121.223 -0.311 0.000 2.081 548 L HA -0.182 4.158 4.340 0.001 0.000 0.212 548 L C 2.398 179.203 176.870 -0.109 0.000 1.080 548 L CA 1.527 56.266 54.840 -0.169 0.000 0.754 548 L CB -0.607 41.454 42.059 0.004 0.000 0.893 548 L HN 0.386 nan 8.230 nan 0.000 0.433 549 A N -0.011 122.754 122.820 -0.092 0.000 1.968 549 A HA -0.124 4.196 4.320 0.001 0.000 0.217 549 A C 2.221 179.776 177.584 -0.048 0.000 1.169 549 A CA 1.118 53.128 52.037 -0.044 0.000 0.638 549 A CB -0.402 18.579 19.000 -0.030 0.000 0.812 549 A HN 0.347 nan 8.150 nan 0.000 0.446 550 L N -0.726 120.439 121.223 -0.097 0.000 2.179 550 L HA 0.235 4.576 4.340 0.001 0.000 0.208 550 L C 1.532 178.375 176.870 -0.046 0.000 1.096 550 L CA 1.787 56.582 54.840 -0.075 0.000 0.779 550 L CB -0.430 41.569 42.059 -0.101 0.000 0.922 550 L HN 0.689 nan 8.230 nan 0.000 0.443 551 G N -1.001 107.729 108.800 -0.116 0.000 2.198 551 G HA2 -0.048 3.912 3.960 0.001 0.000 0.257 551 G HA3 -0.048 3.912 3.960 0.001 0.000 0.257 551 G C 0.412 175.428 174.900 0.193 0.000 1.042 551 G CA 0.355 45.523 45.100 0.114 0.000 0.791 551 G HN 1.002 nan 8.290 nan 0.000 0.502 552 G N -2.361 106.323 108.800 -0.194 0.000 2.606 552 G HA2 0.733 4.693 3.960 0.001 0.000 0.300 552 G HA3 0.733 4.693 3.960 0.001 0.000 0.300 552 G C -0.703 174.139 174.900 -0.097 0.000 1.360 552 G CA 0.498 45.641 45.100 0.070 0.000 0.783 552 G HN 0.878 nan 8.290 nan 0.000 0.484 553 T N -0.719 113.924 114.554 0.148 0.000 2.875 553 T HA 0.451 4.802 4.350 0.001 0.000 0.284 553 T C 1.211 175.949 174.700 0.062 0.000 0.995 553 T CA -0.321 61.866 62.100 0.144 0.000 1.060 553 T CB 1.146 70.165 68.868 0.251 0.000 0.967 553 T HN 0.443 nan 8.240 nan 0.000 0.476 554 R N 1.387 121.909 120.500 0.038 0.000 2.103 554 R HA 0.161 4.502 4.340 0.001 0.000 0.212 554 R C 0.785 177.112 176.300 0.045 0.000 1.107 554 R CA 0.596 56.712 56.100 0.027 0.000 1.025 554 R CB 0.147 30.450 30.300 0.006 0.000 0.929 554 R HN 0.762 nan 8.270 nan 0.000 0.456 555 T N -0.635 113.954 114.554 0.059 0.000 2.942 555 T HA 0.481 4.831 4.350 0.001 0.000 0.289 555 T C -2.824 171.932 174.700 0.094 0.000 1.044 555 T CA -2.520 59.619 62.100 0.066 0.000 1.023 555 T CB 2.438 71.340 68.868 0.056 0.000 1.123 555 T HN -0.237 nan 8.240 nan 0.000 0.512 556 P HA 0.240 nan 4.420 nan 0.000 0.269 556 P C -0.277 177.106 177.300 0.139 0.000 1.209 556 P CA -0.525 62.647 63.100 0.121 0.000 0.776 556 P CB 0.320 32.084 31.700 0.108 0.000 0.876 557 V N 4.524 124.533 119.914 0.159 0.000 2.673 557 V HA 0.048 4.169 4.120 0.001 0.000 0.303 557 V C 0.990 177.223 176.094 0.230 0.000 1.046 557 V CA 0.708 63.114 62.300 0.176 0.000 1.126 557 V CB -0.395 31.489 31.823 0.102 0.000 0.934 557 V HN 0.507 nan 8.190 nan 0.000 0.487 558 R N 3.454 124.114 120.500 0.266 0.000 2.795 558 R HA 0.612 4.953 4.340 0.001 0.000 0.275 558 R C -1.322 175.036 176.300 0.096 0.000 0.981 558 R CA -1.095 55.118 56.100 0.188 0.000 0.917 558 R CB 1.817 32.173 30.300 0.093 0.000 1.202 558 R HN 0.496 nan 8.270 nan 0.000 0.469 559 L N 1.403 122.534 121.223 -0.153 0.000 2.416 559 L HA 0.099 4.439 4.340 0.001 0.000 0.272 559 L C 0.303 177.041 176.870 -0.220 0.000 1.161 559 L CA 0.013 54.569 54.840 -0.474 0.000 0.845 559 L CB 0.224 42.026 42.059 -0.428 0.000 1.119 559 L HN 0.442 nan 8.230 nan 0.000 0.464 560 D N 5.204 125.477 120.400 -0.213 0.000 2.365 560 D HA 0.145 4.786 4.640 0.001 0.000 0.237 560 D C -1.515 174.735 176.300 -0.082 0.000 1.190 560 D CA -2.013 51.933 54.000 -0.090 0.000 0.867 560 D CB 1.383 42.156 40.800 -0.045 0.000 1.050 560 D HN 0.255 nan 8.370 nan 0.000 0.491 561 P HA 0.014 nan 4.420 nan 0.000 0.233 561 P C 0.034 177.316 177.300 -0.029 0.000 1.167 561 P CA 0.479 63.552 63.100 -0.044 0.000 0.770 561 P CB 0.628 32.309 31.700 -0.031 0.000 0.837 562 D N -0.831 119.556 120.400 -0.022 0.000 2.369 562 D HA 0.057 4.697 4.640 0.001 0.000 0.211 562 D C 0.032 176.326 176.300 -0.009 0.000 1.077 562 D CA 0.571 54.564 54.000 -0.012 0.000 0.842 562 D CB 0.403 41.200 40.800 -0.005 0.000 0.947 562 D HN 0.101 nan 8.370 nan 0.000 0.509 563 T N 3.533 118.079 114.554 -0.013 0.000 2.912 563 T HA 0.308 4.659 4.350 0.001 0.000 0.326 563 T C -2.540 172.156 174.700 -0.007 0.000 1.080 563 T CA -1.319 60.778 62.100 -0.005 0.000 1.000 563 T CB 2.321 71.191 68.868 0.003 0.000 1.008 563 T HN -0.082 nan 8.240 nan 0.000 0.473 564 P HA 0.282 nan 4.420 nan 0.000 0.271 564 P C -0.745 176.561 177.300 0.010 0.000 1.220 564 P CA -0.341 62.759 63.100 0.000 0.000 0.768 564 P CB 0.803 32.504 31.700 0.002 0.000 0.848 565 V N 4.835 124.757 119.914 0.013 0.000 2.383 565 V HA 0.206 4.327 4.120 0.001 0.000 0.261 565 V C -1.830 174.281 176.094 0.029 0.000 0.987 565 V CA -1.461 60.855 62.300 0.027 0.000 0.853 565 V CB 0.710 32.557 31.823 0.040 0.000 1.095 565 V HN 0.578 nan 8.190 nan 0.000 0.461 566 P HA 0.263 nan 4.420 nan 0.000 0.272 566 P C -0.091 177.231 177.300 0.037 0.000 1.230 566 P CA -0.280 62.836 63.100 0.026 0.000 0.788 566 P CB 1.345 33.058 31.700 0.020 0.000 0.949 567 L N 0.741 121.987 121.223 0.039 0.000 2.456 567 L HA 0.229 4.570 4.340 0.001 0.000 0.272 567 L C 1.164 178.063 176.870 0.048 0.000 1.189 567 L CA -0.651 54.218 54.840 0.049 0.000 0.846 567 L CB 0.098 42.185 42.059 0.047 0.000 1.111 567 L HN 0.480 nan 8.230 nan 0.000 0.475 568 A N 4.686 127.543 122.820 0.062 0.000 2.511 568 A HA 0.247 4.568 4.320 0.001 0.000 0.242 568 A C -1.555 176.058 177.584 0.049 0.000 1.069 568 A CA -0.980 51.094 52.037 0.062 0.000 0.763 568 A CB -0.065 18.989 19.000 0.091 0.000 1.001 568 A HN 0.623 nan 8.150 nan 0.000 0.498 569 P HA -0.094 nan 4.420 nan 0.000 0.225 569 P C 0.532 177.843 177.300 0.018 0.000 1.148 569 P CA 1.215 64.325 63.100 0.016 0.000 0.779 569 P CB 0.059 31.759 31.700 0.000 0.000 0.780 570 N N -0.487 118.241 118.700 0.046 0.000 2.235 570 N HA -0.040 4.701 4.740 0.001 0.000 0.209 570 N C 0.600 176.144 175.510 0.055 0.000 1.122 570 N CA 0.061 53.145 53.050 0.057 0.000 0.845 570 N CB -0.693 37.866 38.487 0.119 0.000 1.004 570 N HN 0.283 nan 8.380 nan 0.000 0.499 571 E N 0.166 120.403 120.200 0.062 0.000 2.569 571 E HA 0.166 4.516 4.350 0.001 0.000 0.205 571 E C 0.228 176.873 176.600 0.076 0.000 1.006 571 E CA -0.282 56.168 56.400 0.085 0.000 0.985 571 E CB -0.240 29.537 29.700 0.129 0.000 1.060 571 E HN 0.218 nan 8.360 nan 0.000 0.460 572 L N 0.439 121.674 121.223 0.019 0.000 2.653 572 L HA 0.382 4.723 4.340 0.001 0.000 0.231 572 L C 1.118 177.958 176.870 -0.050 0.000 1.153 572 L CA -0.177 54.669 54.840 0.010 0.000 0.933 572 L CB 0.408 42.452 42.059 -0.025 0.000 1.175 572 L HN 0.237 nan 8.230 nan 0.000 0.473 573 G N -1.379 107.377 108.800 -0.073 0.000 2.945 573 G HA2 0.274 4.235 3.960 0.001 0.000 0.156 573 G HA3 0.274 4.235 3.960 0.001 0.000 0.156 573 G C -0.982 173.980 174.900 0.103 0.000 1.375 573 G CA -0.540 44.470 45.100 -0.149 0.000 1.039 573 G HN 0.227 nan 8.290 nan 0.000 0.586 574 H N 0.489 119.741 119.070 0.304 0.000 2.604 574 H HA 0.482 5.039 4.556 0.001 0.000 0.306 574 H C -0.057 175.410 175.328 0.231 0.000 1.075 574 H CA -0.216 56.006 56.048 0.290 0.000 1.357 574 H CB 1.284 31.212 29.762 0.276 0.000 1.426 574 H HN 0.005 nan 8.280 nan 0.000 0.470 575 K N 1.947 122.587 120.400 0.399 0.000 2.395 575 K HA 0.155 4.475 4.320 0.001 0.000 0.247 575 K C -0.258 176.479 176.600 0.228 0.000 0.973 575 K CA -0.695 55.749 56.287 0.262 0.000 0.828 575 K CB 2.140 34.822 32.500 0.304 0.000 1.272 575 K HN 0.800 nan 8.250 nan 0.000 0.439 576 D N -1.925 118.442 120.400 -0.055 0.000 2.525 576 D HA 0.108 4.748 4.640 0.001 0.000 0.231 576 D C -0.343 175.705 176.300 -0.420 0.000 1.216 576 D CA -0.072 53.876 54.000 -0.086 0.000 0.813 576 D CB 0.564 41.503 40.800 0.231 0.000 1.108 576 D HN 0.034 nan 8.370 nan 0.000 0.524 577 V N 1.228 120.758 119.914 -0.639 0.000 2.483 577 V HA 0.526 4.647 4.120 0.001 0.000 0.297 577 V C -1.384 174.297 176.094 -0.687 0.000 1.027 577 V CA -0.730 61.253 62.300 -0.529 0.000 0.855 577 V CB 1.371 33.088 31.823 -0.177 0.000 0.995 577 V HN 0.051 nan 8.190 nan 0.000 0.424 578 F N 2.032 121.999 119.950 0.029 0.000 2.493 578 F HA 0.526 5.054 4.527 0.001 0.000 0.329 578 F C 0.439 176.240 175.800 0.003 0.000 1.126 578 F CA -0.808 57.196 58.000 0.007 0.000 0.937 578 F CB 1.549 40.530 39.000 -0.032 0.000 1.146 578 F HN 0.362 nan 8.300 nan 0.000 0.442 579 Q N 1.922 121.842 119.800 0.200 0.000 2.337 579 Q HA 0.366 4.707 4.340 0.001 0.000 0.270 579 Q C -0.746 175.339 176.000 0.143 0.000 1.002 579 Q CA -0.135 55.757 55.803 0.148 0.000 0.888 579 Q CB 1.606 30.423 28.738 0.132 0.000 1.222 579 Q HN 0.503 nan 8.270 nan 0.000 0.400 580 V N 4.897 124.882 119.914 0.118 0.000 2.380 580 V HA 0.236 4.357 4.120 0.001 0.000 0.268 580 V C -2.287 173.874 176.094 0.110 0.000 1.008 580 V CA -1.726 60.644 62.300 0.117 0.000 0.823 580 V CB 0.899 32.786 31.823 0.107 0.000 1.053 580 V HN 0.680 nan 8.190 nan 0.000 0.446 581 P HA 0.274 nan 4.420 nan 0.000 0.276 581 P C 0.343 177.691 177.300 0.079 0.000 1.243 581 P CA 0.619 63.759 63.100 0.066 0.000 0.768 581 P CB 1.543 33.278 31.700 0.059 0.000 0.856 582 G N 3.960 112.803 108.800 0.071 0.000 2.491 582 G HA2 0.553 4.514 3.960 0.001 0.000 0.327 582 G HA3 0.553 4.514 3.960 0.001 0.000 0.327 582 G C -2.613 172.323 174.900 0.060 0.000 1.189 582 G CA -1.797 43.347 45.100 0.073 0.000 0.956 582 G HN 0.324 nan 8.290 nan 0.000 0.491 583 P HA 0.182 nan 4.420 nan 0.000 0.280 583 P C -0.785 176.598 177.300 0.137 0.000 1.386 583 P CA 0.164 63.311 63.100 0.078 0.000 0.899 583 P CB 1.026 32.775 31.700 0.081 0.000 1.098 584 Q N 2.311 122.192 119.800 0.134 0.000 2.511 584 Q HA 0.643 4.984 4.340 0.001 0.000 0.289 584 Q C -1.349 174.759 176.000 0.180 0.000 1.021 584 Q CA -0.925 55.013 55.803 0.224 0.000 0.785 584 Q CB 2.300 31.133 28.738 0.158 0.000 1.472 584 Q HN 0.414 nan 8.270 nan 0.000 0.411 585 G N 1.375 110.356 108.800 0.302 0.000 2.470 585 G HA2 0.554 4.514 3.960 0.001 0.000 0.320 585 G HA3 0.554 4.514 3.960 0.001 0.000 0.320 585 G C -1.812 173.202 174.900 0.191 0.000 1.245 585 G CA -0.418 44.797 45.100 0.191 0.000 0.935 585 G HN 0.417 nan 8.290 nan 0.000 0.476 586 L N 1.836 123.161 121.223 0.170 0.000 2.333 586 L HA 0.698 5.038 4.340 0.001 0.000 0.280 586 L C -0.077 176.870 176.870 0.128 0.000 1.004 586 L CA -0.834 54.098 54.840 0.154 0.000 0.820 586 L CB 1.433 43.596 42.059 0.174 0.000 1.247 586 L HN 0.497 nan 8.230 nan 0.000 0.416 587 R N 4.473 125.019 120.500 0.075 0.000 2.295 587 R HA 0.713 5.054 4.340 0.001 0.000 0.324 587 R C -0.983 175.313 176.300 -0.006 0.000 0.968 587 R CA -0.664 55.466 56.100 0.050 0.000 0.837 587 R CB 1.670 32.010 30.300 0.067 0.000 1.133 587 R HN 0.617 nan 8.270 nan 0.000 0.450 588 V N 0.415 120.302 119.914 -0.044 0.000 2.864 588 V HA 0.682 4.803 4.120 0.001 0.000 0.314 588 V C -0.388 175.740 176.094 0.056 0.000 1.073 588 V CA -1.122 61.120 62.300 -0.096 0.000 0.956 588 V CB 2.076 33.627 31.823 -0.455 0.000 1.023 588 V HN 0.766 nan 8.190 nan 0.000 0.435 589 M N 2.582 122.257 119.600 0.126 0.000 2.465 589 M HA 0.879 5.360 4.480 0.001 0.000 0.316 589 M C -0.260 176.096 176.300 0.093 0.000 1.121 589 M CA -0.095 55.270 55.300 0.108 0.000 0.934 589 M CB 2.051 34.633 32.600 -0.031 0.000 1.692 589 M HN 1.215 nan 8.290 nan 0.000 0.444 590 G N 2.564 111.271 108.800 -0.155 0.000 2.690 590 G HA2 0.443 4.403 3.960 0.001 0.000 0.293 590 G HA3 0.443 4.403 3.960 0.001 0.000 0.293 590 G C -2.259 172.230 174.900 -0.685 0.000 1.399 590 G CA -0.736 43.826 45.100 -0.897 0.000 0.890 590 G HN 0.704 nan 8.290 nan 0.000 0.485 591 K N 0.683 120.590 120.400 -0.822 0.000 2.240 591 K HA 0.493 4.814 4.320 0.001 0.000 0.271 591 K C -1.113 175.057 176.600 -0.716 0.000 1.018 591 K CA -0.661 55.172 56.287 -0.757 0.000 0.874 591 K CB 0.667 32.739 32.500 -0.713 0.000 1.098 591 K HN 0.248 nan 8.250 nan 0.000 0.458 592 F N 3.604 123.349 119.950 -0.342 0.000 2.406 592 F HA 0.179 4.706 4.527 0.001 0.000 0.358 592 F C 0.146 175.857 175.800 -0.148 0.000 1.161 592 F CA -0.365 57.519 58.000 -0.193 0.000 1.185 592 F CB 0.554 39.522 39.000 -0.053 0.000 1.421 592 F HN 0.457 nan 8.300 nan 0.000 0.576 593 D N 0.950 121.296 120.400 -0.090 0.000 2.896 593 D HA 0.482 5.123 4.640 0.001 0.000 0.241 593 D C 0.553 176.783 176.300 -0.116 0.000 1.188 593 D CA 0.011 53.941 54.000 -0.117 0.000 0.879 593 D CB 1.887 42.578 40.800 -0.181 0.000 1.553 593 D HN 0.541 nan 8.370 nan 0.000 0.515 594 G N 1.379 110.100 108.800 -0.131 0.000 2.175 594 G HA2 0.284 4.245 3.960 0.001 0.000 0.244 594 G HA3 0.284 4.245 3.960 0.001 0.000 0.244 594 G C 0.315 175.102 174.900 -0.187 0.000 0.982 594 G CA 0.324 45.350 45.100 -0.123 0.000 0.641 594 G HN 1.310 nan 8.290 nan 0.000 0.527 595 A N -1.729 120.890 122.820 -0.335 0.000 2.515 595 A HA 0.797 5.117 4.320 0.001 0.000 0.292 595 A C -1.455 175.890 177.584 -0.398 0.000 1.065 595 A CA -0.576 51.267 52.037 -0.324 0.000 0.641 595 A CB 0.705 19.722 19.000 0.028 0.000 1.306 595 A HN 1.227 nan 8.150 nan 0.000 0.441 596 Y N -0.704 119.766 120.300 0.283 0.000 2.581 596 Y HA 0.818 5.368 4.550 0.001 0.000 0.345 596 Y C 0.831 176.866 175.900 0.225 0.000 1.036 596 Y CA 0.029 58.287 58.100 0.262 0.000 1.042 596 Y CB 2.254 40.790 38.460 0.126 0.000 1.289 596 Y HN 2.100 nan 8.280 nan 0.000 0.471 597 G N 0.903 109.878 108.800 0.291 0.000 2.293 597 G HA2 0.097 4.058 3.960 0.001 0.000 0.282 597 G HA3 0.097 4.058 3.960 0.001 0.000 0.282 597 G C -1.841 172.866 174.900 -0.322 0.000 1.299 597 G CA -1.288 43.729 45.100 -0.138 0.000 1.018 597 G HN 0.671 nan 8.290 nan 0.000 0.478 598 R N -0.382 119.764 120.500 -0.591 0.000 2.346 598 R HA 0.752 5.093 4.340 0.001 0.000 0.311 598 R C -1.056 174.826 176.300 -0.695 0.000 0.983 598 R CA -0.458 55.328 56.100 -0.523 0.000 0.880 598 R CB 0.503 30.456 30.300 -0.579 0.000 1.100 598 R HN 0.356 nan 8.270 nan 0.000 0.453 599 F N 2.083 121.829 119.950 -0.341 0.000 2.664 599 F HA 0.535 5.062 4.527 0.001 0.000 0.329 599 F C -0.159 175.471 175.800 -0.284 0.000 1.090 599 F CA -1.106 56.667 58.000 -0.378 0.000 0.978 599 F CB 1.597 40.126 39.000 -0.785 0.000 1.378 599 F HN 0.163 nan 8.300 nan 0.000 0.495 600 M N 1.306 120.786 119.600 -0.199 0.000 2.578 600 M HA 0.402 4.883 4.480 0.001 0.000 0.321 600 M C -1.045 175.494 176.300 0.397 0.000 1.182 600 M CA -0.819 54.436 55.300 -0.074 0.000 0.965 600 M CB 1.551 33.877 32.600 -0.458 0.000 1.694 600 M HN 0.658 nan 8.290 nan 0.000 0.461 601 Y N -0.574 120.036 120.300 0.518 0.000 2.570 601 Y HA 0.846 5.396 4.550 0.001 0.000 0.345 601 Y C -0.909 175.229 175.900 0.398 0.000 1.014 601 Y CA -1.007 57.344 58.100 0.419 0.000 1.063 601 Y CB 1.440 40.263 38.460 0.606 0.000 1.272 601 Y HN 0.883 nan 8.280 nan 0.000 0.477 602 H N -0.613 118.677 119.070 0.367 0.000 2.969 602 H HA 0.387 4.944 4.556 0.001 0.000 0.304 602 H C -1.594 173.904 175.328 0.282 0.000 1.400 602 H CA -1.532 54.640 56.048 0.207 0.000 1.182 602 H CB 0.336 30.148 29.762 0.083 0.000 1.865 602 H HN 1.135 nan 8.280 nan 0.000 0.512 603 C N 1.672 121.177 119.300 0.342 0.000 2.662 603 C HA 0.135 4.596 4.460 0.001 0.000 0.420 603 C C 1.076 176.330 174.990 0.440 0.000 1.314 603 C CA 0.015 59.234 59.018 0.335 0.000 1.963 603 C CB -0.608 27.331 27.740 0.332 0.000 2.686 603 C HN 1.000 nan 8.230 nan 0.000 0.609 604 H N 4.344 123.590 119.070 0.293 0.000 2.507 604 H HA 0.290 4.847 4.556 0.001 0.000 0.294 604 H C -0.134 175.277 175.328 0.139 0.000 1.064 604 H CA 0.112 56.324 56.048 0.273 0.000 1.138 604 H CB 0.008 29.915 29.762 0.242 0.000 1.515 604 H HN 0.585 nan 8.280 nan 0.000 0.547 605 L N 2.304 123.643 121.223 0.193 0.000 2.295 605 L HA 0.078 4.419 4.340 0.001 0.000 0.288 605 L C 1.565 178.381 176.870 -0.090 0.000 1.079 605 L CA -0.233 54.611 54.840 0.006 0.000 0.830 605 L CB 1.190 43.178 42.059 -0.119 0.000 1.200 605 L HN 0.185 nan 8.230 nan 0.000 0.438 606 L N 1.810 122.948 121.223 -0.141 0.000 2.081 606 L HA -0.240 4.101 4.340 0.001 0.000 0.212 606 L C 2.061 178.784 176.870 -0.244 0.000 1.080 606 L CA 1.320 56.025 54.840 -0.225 0.000 0.754 606 L CB -0.242 41.670 42.059 -0.245 0.000 0.893 606 L HN 0.655 nan 8.230 nan 0.000 0.433 607 E N -0.583 119.474 120.200 -0.238 0.000 2.118 607 E HA -0.197 4.154 4.350 0.001 0.000 0.195 607 E C 2.010 178.546 176.600 -0.105 0.000 0.992 607 E CA 1.310 57.582 56.400 -0.213 0.000 0.804 607 E CB -0.316 29.278 29.700 -0.176 0.000 0.741 607 E HN 0.586 nan 8.360 nan 0.000 0.458 608 H N -0.415 118.615 119.070 -0.068 0.000 2.357 608 H HA -0.041 4.516 4.556 0.001 0.000 0.301 608 H C 2.120 177.396 175.328 -0.087 0.000 1.082 608 H CA 1.045 57.069 56.048 -0.038 0.000 1.342 608 H CB 0.134 29.944 29.762 0.080 0.000 1.389 608 H HN 0.195 nan 8.280 nan 0.000 0.511 609 E N 0.897 121.106 120.200 0.014 0.000 2.085 609 E HA -0.209 4.141 4.350 0.001 0.000 0.194 609 E C 1.167 177.644 176.600 -0.204 0.000 0.994 609 E CA 1.411 57.740 56.400 -0.117 0.000 0.801 609 E CB 0.094 29.654 29.700 -0.232 0.000 0.743 609 E HN 0.402 nan 8.360 nan 0.000 0.453 610 D N -0.356 119.910 120.400 -0.223 0.000 2.348 610 D HA -0.058 4.582 4.640 0.001 0.000 0.216 610 D C 0.724 176.914 176.300 -0.184 0.000 0.970 610 D CA 0.830 54.684 54.000 -0.242 0.000 0.889 610 D CB 0.131 40.735 40.800 -0.327 0.000 0.912 610 D HN 0.314 nan 8.370 nan 0.000 0.524 611 M N -1.039 118.463 119.600 -0.163 0.000 2.972 611 M HA 0.293 4.774 4.480 0.001 0.000 0.323 611 M C 0.842 177.075 176.300 -0.111 0.000 1.213 611 M CA -0.204 54.988 55.300 -0.181 0.000 0.935 611 M CB 1.237 33.621 32.600 -0.360 0.000 1.289 611 M HN 0.008 nan 8.290 nan 0.000 0.525 612 G N 1.200 109.959 108.800 -0.068 0.000 2.217 612 G HA2 -0.283 3.678 3.960 0.001 0.000 0.246 612 G HA3 -0.283 3.678 3.960 0.001 0.000 0.246 612 G C 0.337 175.258 174.900 0.034 0.000 0.990 612 G CA -0.173 44.935 45.100 0.014 0.000 0.627 612 G HN 0.532 nan 8.290 nan 0.000 0.522 613 M N 0.931 120.535 119.600 0.008 0.000 3.593 613 M HA 0.679 5.159 4.480 0.001 0.000 0.204 613 M C 0.152 176.493 176.300 0.069 0.000 1.569 613 M CA 0.577 55.903 55.300 0.042 0.000 1.694 613 M CB -0.398 32.228 32.600 0.044 0.000 1.149 613 M HN 0.424 nan 8.290 nan 0.000 0.552 614 M N 1.201 120.831 119.600 0.049 0.000 2.449 614 M HA 0.475 4.955 4.480 0.001 0.000 0.291 614 M C -1.863 174.495 176.300 0.097 0.000 1.148 614 M CA -0.653 54.667 55.300 0.034 0.000 0.925 614 M CB 1.628 34.132 32.600 -0.160 0.000 1.767 614 M HN 0.218 nan 8.290 nan 0.000 0.503 615 R N 2.946 123.392 120.500 -0.090 0.000 2.707 615 R HA 0.676 5.017 4.340 0.001 0.000 0.272 615 R C -3.009 173.342 176.300 0.084 0.000 1.011 615 R CA -1.537 54.490 56.100 -0.121 0.000 0.893 615 R CB 2.300 32.255 30.300 -0.575 0.000 1.233 615 R HN 0.405 nan 8.270 nan 0.000 0.464 616 P HA 0.414 nan 4.420 nan 0.000 0.281 616 P C -1.020 176.548 177.300 0.446 0.000 1.249 616 P CA -0.279 63.015 63.100 0.323 0.000 0.810 616 P CB 0.685 32.504 31.700 0.198 0.000 1.008 617 F N -0.488 119.699 119.950 0.396 0.000 2.643 617 F HA 0.750 5.278 4.527 0.001 0.000 0.314 617 F C -1.752 174.263 175.800 0.359 0.000 1.096 617 F CA -1.453 56.788 58.000 0.401 0.000 0.953 617 F CB 0.972 40.335 39.000 0.605 0.000 1.345 617 F HN 0.012 nan 8.300 nan 0.000 0.468 618 V N 2.422 122.597 119.914 0.434 0.000 2.588 618 V HA 0.654 4.775 4.120 0.001 0.000 0.304 618 V C -0.793 175.526 176.094 0.376 0.000 1.042 618 V CA -0.790 61.666 62.300 0.260 0.000 0.877 618 V CB 1.619 33.526 31.823 0.140 0.000 0.996 618 V HN 0.796 nan 8.190 nan 0.000 0.425 619 V N 5.886 126.045 119.914 0.409 0.000 2.581 619 V HA 0.716 4.837 4.120 0.001 0.000 0.303 619 V C -0.220 176.113 176.094 0.398 0.000 1.041 619 V CA -0.473 62.076 62.300 0.414 0.000 0.907 619 V CB 1.730 33.847 31.823 0.490 0.000 0.994 619 V HN 0.945 nan 8.190 nan 0.000 0.442 620 M N 6.165 125.985 119.600 0.366 0.000 2.414 620 M HA 0.577 5.057 4.480 0.001 0.000 0.287 620 M C -3.083 173.364 176.300 0.244 0.000 1.181 620 M CA -1.545 53.910 55.300 0.257 0.000 0.933 620 M CB 2.863 35.550 32.600 0.144 0.000 1.732 620 M HN 0.350 nan 8.290 nan 0.000 0.486 621 P HA 0.134 nan 4.420 nan 0.000 0.264 621 P C -2.366 174.996 177.300 0.103 0.000 1.183 621 P CA -0.564 62.597 63.100 0.101 0.000 0.763 621 P CB -0.099 31.542 31.700 -0.098 0.000 0.807 622 P HA -0.215 nan 4.420 nan 0.000 0.217 622 P C 1.053 178.387 177.300 0.056 0.000 1.148 622 P CA 1.616 64.763 63.100 0.078 0.000 0.834 622 P CB -0.019 31.724 31.700 0.072 0.000 0.783 623 E N -0.817 119.422 120.200 0.065 0.000 2.204 623 E HA -0.062 4.288 4.350 0.001 0.000 0.194 623 E C 2.056 178.746 176.600 0.148 0.000 0.989 623 E CA 1.256 57.704 56.400 0.080 0.000 0.824 623 E CB -0.839 28.914 29.700 0.088 0.000 0.756 623 E HN 0.196 nan 8.360 nan 0.000 0.477 624 A N 0.207 123.106 122.820 0.132 0.000 2.021 624 A HA -0.018 4.303 4.320 0.001 0.000 0.216 624 A C 1.946 179.652 177.584 0.202 0.000 1.163 624 A CA 0.393 52.554 52.037 0.207 0.000 0.676 624 A CB -0.288 18.752 19.000 0.067 0.000 0.818 624 A HN 0.201 nan 8.150 nan 0.000 0.453 625 L N -0.082 121.198 121.223 0.095 0.000 2.187 625 L HA -0.132 4.209 4.340 0.001 0.000 0.213 625 L C 1.993 178.842 176.870 -0.036 0.000 1.100 625 L CA 1.532 56.400 54.840 0.046 0.000 0.765 625 L CB -0.300 41.780 42.059 0.035 0.000 0.904 625 L HN 0.176 nan 8.230 nan 0.000 0.437 626 K N -0.913 119.396 120.400 -0.151 0.000 2.281 626 K HA -0.128 4.193 4.320 0.001 0.000 0.203 626 K C 1.449 177.686 176.600 -0.604 0.000 1.046 626 K CA 1.281 57.309 56.287 -0.432 0.000 0.938 626 K CB -0.411 31.681 32.500 -0.680 0.000 0.737 626 K HN 0.348 nan 8.250 nan 0.000 0.458 627 F N 0.372 120.320 119.950 -0.003 0.000 2.664 627 F HA 0.184 4.712 4.527 0.001 0.000 0.303 627 F C -0.258 175.539 175.800 -0.005 0.000 1.092 627 F CA -0.425 57.571 58.000 -0.007 0.000 1.305 627 F CB 0.473 39.465 39.000 -0.013 0.000 1.054 627 F HN -0.143 nan 8.300 nan 0.000 0.565 628 D N 0.000 120.452 120.400 0.087 0.000 6.856 628 D HA 0.000 4.641 4.640 0.001 0.000 0.175 628 D CA 0.000 54.033 54.000 0.055 0.000 0.868 628 D CB 0.000 40.837 40.800 0.062 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683