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 1g3n_1_E DATA FIRST_RESID 9 DATA SEQUENCE ADQQYECVAE IGEGAYGKVF KARDLKNGGR FVALKRVRVQ TGEEGMPLST DATA SEQUENCE IREVAVLRHL ETFEHPNVVR LFDVCTVSRT DRETKLTLVF EHVDQDLTTY DATA SEQUENCE LDKVPEPGVP TETIKDMMFQ LLRGLDFLHS HRVVHRDLKP QNILVTSSGQ DATA SEQUENCE IKLADFGLAR IYSFQMALTS VVVTLWYRAP EVLLQSSYAT PVDLWSVGCI DATA SEQUENCE FAEMFRRKPL FRGSSDVDQL GKILDVIGLP GEEDWPRDVA LPRQAFHSKS DATA SEQUENCE AQPIEKFVTD IDELGKDLLL KCLTFNPAKR ISAYSALSHP YFQ 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.629 177.584 0.075 0.000 1.274 9 A CA 0.000 52.098 52.037 0.102 0.000 0.836 9 A CB 0.000 19.169 19.000 0.282 0.000 0.831 10 D N -0.858 119.620 120.400 0.129 0.000 2.746 10 D HA -0.085 4.554 4.640 -0.001 0.000 0.236 10 D C 0.305 176.616 176.300 0.019 0.000 1.129 10 D CA 1.426 55.470 54.000 0.074 0.000 0.691 10 D CB -0.374 40.454 40.800 0.047 0.000 1.077 10 D HN 0.540 nan 8.370 nan 0.000 0.432 11 Q N -1.086 118.706 119.800 -0.013 0.000 1.428 11 Q HA -0.010 4.329 4.340 -0.001 0.000 0.141 11 Q C 0.926 176.865 176.000 -0.102 0.000 0.707 11 Q CA 0.545 56.322 55.803 -0.043 0.000 0.663 11 Q CB -0.112 28.604 28.738 -0.037 0.000 1.145 11 Q HN 0.531 nan 8.270 nan 0.000 0.340 12 Q N -0.988 118.698 119.800 -0.190 0.000 2.423 12 Q HA 0.146 4.486 4.340 -0.001 0.000 0.231 12 Q C -0.595 175.098 176.000 -0.512 0.000 0.894 12 Q CA 0.159 55.720 55.803 -0.403 0.000 0.938 12 Q CB 0.726 29.092 28.738 -0.620 0.000 1.079 12 Q HN 0.076 nan 8.270 nan 0.000 0.552 13 Y N 1.355 121.660 120.300 0.008 0.000 2.331 13 Y HA 0.392 4.942 4.550 -0.001 0.000 0.338 13 Y C -0.782 175.119 175.900 0.002 0.000 0.976 13 Y CA -0.950 57.163 58.100 0.022 0.000 1.137 13 Y CB 1.541 40.022 38.460 0.036 0.000 1.172 13 Y HN 0.026 nan 8.280 nan 0.000 0.478 14 E N 3.093 123.383 120.200 0.150 0.000 2.145 14 E HA 0.407 4.756 4.350 -0.001 0.000 0.262 14 E C -1.034 175.611 176.600 0.076 0.000 0.883 14 E CA -0.549 55.896 56.400 0.074 0.000 0.748 14 E CB 0.633 30.363 29.700 0.049 0.000 1.140 14 E HN 0.745 nan 8.360 nan 0.000 0.417 15 C N 3.110 122.408 119.300 -0.002 0.000 2.703 15 C HA 0.087 4.547 4.460 -0.001 0.000 0.411 15 C C 1.723 176.727 174.990 0.023 0.000 1.290 15 C CA -0.253 58.743 59.018 -0.035 0.000 2.054 15 C CB 0.144 27.737 27.740 -0.245 0.000 2.732 15 C HN 0.768 nan 8.230 nan 0.000 0.650 16 V N -0.615 119.332 119.914 0.056 0.000 3.408 16 V HA 0.636 4.755 4.120 -0.001 0.000 0.263 16 V C 0.304 176.430 176.094 0.053 0.000 1.503 16 V CA 0.669 63.009 62.300 0.066 0.000 1.046 16 V CB -0.643 31.243 31.823 0.105 0.000 0.851 16 V HN 1.237 nan 8.190 nan 0.000 0.435 17 A N 0.455 123.322 122.820 0.079 0.000 2.565 17 A HA 0.650 4.970 4.320 -0.001 0.000 0.298 17 A C -0.992 176.704 177.584 0.186 0.000 1.062 17 A CA -0.174 51.916 52.037 0.088 0.000 0.723 17 A CB 1.331 20.327 19.000 -0.006 0.000 1.282 17 A HN 0.434 nan 8.150 nan 0.000 0.400 18 E N 1.731 122.032 120.200 0.168 0.000 2.229 18 E HA 0.464 4.813 4.350 -0.001 0.000 0.283 18 E C -0.242 176.300 176.600 -0.096 0.000 1.030 18 E CA -0.574 55.852 56.400 0.043 0.000 0.836 18 E CB 0.559 30.273 29.700 0.025 0.000 1.068 18 E HN 0.452 nan 8.360 nan 0.000 0.401 19 I N 3.470 123.927 120.570 -0.189 0.000 2.867 19 I HA 0.301 4.470 4.170 -0.001 0.000 0.265 19 I C 1.025 177.034 176.117 -0.179 0.000 1.162 19 I CA 1.122 62.319 61.300 -0.171 0.000 1.471 19 I CB 0.247 38.131 38.000 -0.194 0.000 1.123 19 I HN 0.715 nan 8.210 nan 0.000 0.440 20 G N 0.113 108.781 108.800 -0.220 0.000 2.327 20 G HA2 0.445 4.405 3.960 -0.001 0.000 0.291 20 G HA3 0.445 4.405 3.960 -0.001 0.000 0.291 20 G C -1.632 173.155 174.900 -0.188 0.000 1.290 20 G CA -0.494 44.503 45.100 -0.172 0.000 0.857 20 G HN 0.174 nan 8.290 nan 0.000 0.520 21 E N -1.165 118.957 120.200 -0.129 0.000 2.343 21 E HA 0.745 5.094 4.350 -0.001 0.000 0.278 21 E C -0.042 176.511 176.600 -0.078 0.000 0.910 21 E CA -0.546 55.790 56.400 -0.108 0.000 0.757 21 E CB 1.985 31.623 29.700 -0.102 0.000 1.218 21 E HN 1.527 nan 8.360 nan 0.000 0.435 22 G N 0.675 109.435 108.800 -0.068 0.000 2.793 22 G HA2 0.484 4.443 3.960 -0.001 0.000 0.248 22 G HA3 0.484 4.443 3.960 -0.001 0.000 0.248 22 G C 0.405 175.220 174.900 -0.142 0.000 1.198 22 G CA -0.231 44.813 45.100 -0.093 0.000 0.865 22 G HN 0.634 nan 8.290 nan 0.000 0.534 23 A N -1.184 121.476 122.820 -0.266 0.000 2.084 23 A HA 0.025 4.344 4.320 -0.001 0.000 0.221 23 A C 1.295 178.596 177.584 -0.471 0.000 1.161 23 A CA 1.697 53.472 52.037 -0.436 0.000 0.653 23 A CB -0.656 17.936 19.000 -0.679 0.000 0.802 23 A HN 0.583 nan 8.150 nan 0.000 0.457 24 Y N -1.039 119.260 120.300 -0.000 0.000 2.696 24 Y HA 0.439 4.989 4.550 -0.001 0.000 0.260 24 Y C 1.346 177.257 175.900 0.019 0.000 1.165 24 Y CA -0.064 58.042 58.100 0.010 0.000 1.189 24 Y CB 0.228 38.694 38.460 0.011 0.000 1.180 24 Y HN 0.529 nan 8.280 nan 0.000 0.538 25 G N 0.924 109.778 108.800 0.090 0.000 2.582 25 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.222 25 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.222 25 G C -0.952 173.953 174.900 0.008 0.000 1.311 25 G CA -1.154 43.985 45.100 0.064 0.000 0.915 25 G HN 0.115 nan 8.290 nan 0.000 0.528 26 K N -0.593 119.785 120.400 -0.036 0.000 2.218 26 K HA 0.548 4.868 4.320 -0.001 0.000 0.276 26 K C -0.169 176.235 176.600 -0.326 0.000 1.022 26 K CA -0.502 55.640 56.287 -0.240 0.000 0.946 26 K CB 1.799 34.087 32.500 -0.354 0.000 1.000 26 K HN 0.425 nan 8.250 nan 0.000 0.468 27 V N 4.744 124.394 119.914 -0.439 0.000 2.384 27 V HA 0.397 4.516 4.120 -0.001 0.000 0.287 27 V C -0.714 175.094 176.094 -0.476 0.000 1.020 27 V CA -0.681 61.457 62.300 -0.270 0.000 0.850 27 V CB 0.216 31.988 31.823 -0.085 0.000 0.987 27 V HN 0.541 nan 8.190 nan 0.000 0.436 28 F N 2.408 122.372 119.950 0.023 0.000 2.594 28 F HA 0.636 5.163 4.527 -0.001 0.000 0.335 28 F C 0.198 175.958 175.800 -0.067 0.000 1.058 28 F CA -1.032 56.956 58.000 -0.020 0.000 0.981 28 F CB 1.704 40.705 39.000 0.002 0.000 1.289 28 F HN 0.235 nan 8.300 nan 0.000 0.490 29 K N 1.100 121.564 120.400 0.106 0.000 2.274 29 K HA 0.845 5.164 4.320 -0.001 0.000 0.262 29 K C -1.395 175.212 176.600 0.012 0.000 0.961 29 K CA -0.409 55.800 56.287 -0.129 0.000 0.833 29 K CB 1.414 33.714 32.500 -0.334 0.000 1.102 29 K HN 0.825 nan 8.250 nan 0.000 0.436 30 A N 3.809 126.679 122.820 0.083 0.000 2.569 30 A HA 0.622 4.941 4.320 -0.001 0.000 0.290 30 A C -1.257 176.531 177.584 0.339 0.000 1.136 30 A CA -0.999 51.152 52.037 0.191 0.000 0.710 30 A CB 1.248 20.350 19.000 0.170 0.000 1.303 30 A HN 0.769 nan 8.150 nan 0.000 0.413 31 R N 0.949 121.626 120.500 0.295 0.000 2.368 31 R HA 0.360 4.699 4.340 -0.001 0.000 0.302 31 R C -1.426 175.015 176.300 0.235 0.000 1.002 31 R CA -0.695 55.551 56.100 0.243 0.000 0.929 31 R CB 1.260 31.632 30.300 0.120 0.000 1.073 31 R HN 0.677 nan 8.270 nan 0.000 0.464 32 D N 3.861 124.387 120.400 0.210 0.000 2.441 32 D HA 0.073 4.713 4.640 -0.001 0.000 0.221 32 D C 0.876 177.169 176.300 -0.013 0.000 1.156 32 D CA -0.224 53.887 54.000 0.185 0.000 0.896 32 D CB 0.702 41.634 40.800 0.219 0.000 1.028 32 D HN 0.475 nan 8.370 nan 0.000 0.509 33 L N 2.817 123.979 121.223 -0.101 0.000 2.633 33 L HA -0.019 4.321 4.340 -0.001 0.000 0.235 33 L C 1.686 178.479 176.870 -0.127 0.000 1.163 33 L CA 0.684 55.459 54.840 -0.108 0.000 0.859 33 L CB -0.041 41.950 42.059 -0.114 0.000 0.973 33 L HN 0.202 nan 8.230 nan 0.000 0.451 34 K N -0.052 120.253 120.400 -0.157 0.000 2.414 34 K HA 0.173 4.492 4.320 -0.001 0.000 0.204 34 K C -0.173 176.363 176.600 -0.107 0.000 1.026 34 K CA 0.007 56.214 56.287 -0.133 0.000 1.108 34 K CB 0.390 32.794 32.500 -0.160 0.000 0.855 34 K HN 0.157 nan 8.250 nan 0.000 0.517 35 N N 0.053 118.698 118.700 -0.092 0.000 2.628 35 N HA 0.102 4.842 4.740 -0.001 0.000 0.299 35 N C -0.307 175.164 175.510 -0.065 0.000 1.834 35 N CA 0.071 53.071 53.050 -0.083 0.000 0.871 35 N CB 1.734 40.157 38.487 -0.106 0.000 1.377 35 N HN 0.202 nan 8.380 nan 0.000 0.493 36 G N 0.275 109.036 108.800 -0.065 0.000 2.198 36 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.257 36 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.257 36 G C 0.910 175.764 174.900 -0.078 0.000 1.042 36 G CA 0.427 45.488 45.100 -0.064 0.000 0.791 36 G HN 0.921 nan 8.290 nan 0.000 0.502 37 G N -0.591 108.168 108.800 -0.068 0.000 2.321 37 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.287 37 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.287 37 G C 0.634 175.448 174.900 -0.143 0.000 1.018 37 G CA 1.421 46.474 45.100 -0.078 0.000 0.855 37 G HN 1.980 nan 8.290 nan 0.000 0.507 38 R N -1.251 119.201 120.500 -0.081 0.000 2.643 38 R HA 0.494 4.834 4.340 -0.001 0.000 0.270 38 R C -0.102 176.229 176.300 0.052 0.000 1.061 38 R CA -0.649 55.406 56.100 -0.075 0.000 1.107 38 R CB 0.545 30.857 30.300 0.020 0.000 0.999 38 R HN -0.026 nan 8.270 nan 0.000 0.460 39 F N 1.496 121.547 119.950 0.168 0.000 2.518 39 F HA 0.274 4.800 4.527 -0.001 0.000 0.359 39 F C 0.672 176.625 175.800 0.255 0.000 1.118 39 F CA -0.284 57.827 58.000 0.185 0.000 1.287 39 F CB 0.980 40.115 39.000 0.225 0.000 1.132 39 F HN 0.272 nan 8.300 nan 0.000 0.587 40 V N 1.871 122.037 119.914 0.420 0.000 3.049 40 V HA 0.837 4.956 4.120 -0.001 0.000 0.309 40 V C -1.131 175.073 176.094 0.184 0.000 1.148 40 V CA -0.891 61.633 62.300 0.373 0.000 0.990 40 V CB 2.080 34.149 31.823 0.410 0.000 1.039 40 V HN 0.967 nan 8.190 nan 0.000 0.430 41 A N 6.002 128.956 122.820 0.223 0.000 2.312 41 A HA 0.913 5.232 4.320 -0.001 0.000 0.326 41 A C -1.082 176.647 177.584 0.241 0.000 1.172 41 A CA -0.544 51.605 52.037 0.188 0.000 0.821 41 A CB 0.784 19.963 19.000 0.298 0.000 1.166 41 A HN 0.825 nan 8.150 nan 0.000 0.493 42 L N 1.434 122.800 121.223 0.237 0.000 2.354 42 L HA 0.585 4.925 4.340 -0.001 0.000 0.269 42 L C -0.242 176.810 176.870 0.303 0.000 1.005 42 L CA -0.740 54.253 54.840 0.255 0.000 0.819 42 L CB 2.196 44.386 42.059 0.218 0.000 1.311 42 L HN 0.647 nan 8.230 nan 0.000 0.423 43 K N 2.837 123.411 120.400 0.289 0.000 2.426 43 K HA 0.565 4.885 4.320 -0.001 0.000 0.254 43 K C -1.146 175.584 176.600 0.217 0.000 0.936 43 K CA -0.845 55.590 56.287 0.245 0.000 0.801 43 K CB 2.580 35.243 32.500 0.271 0.000 1.139 43 K HN 0.492 nan 8.250 nan 0.000 0.424 44 R N 2.110 122.741 120.500 0.219 0.000 2.439 44 R HA 0.482 4.822 4.340 -0.001 0.000 0.310 44 R C -0.741 175.648 176.300 0.148 0.000 0.955 44 R CA -0.831 55.392 56.100 0.205 0.000 0.853 44 R CB 1.805 32.293 30.300 0.314 0.000 1.171 44 R HN 0.261 nan 8.270 nan 0.000 0.449 45 V N 2.825 122.810 119.914 0.118 0.000 2.769 45 V HA 0.445 4.564 4.120 -0.001 0.000 0.312 45 V C 0.062 176.201 176.094 0.074 0.000 1.061 45 V CA -1.023 61.333 62.300 0.093 0.000 0.931 45 V CB 2.371 34.249 31.823 0.092 0.000 1.010 45 V HN 0.530 nan 8.190 nan 0.000 0.433 46 R N 2.681 123.218 120.500 0.061 0.000 2.233 46 R HA 0.457 4.796 4.340 -0.001 0.000 0.334 46 R C -1.278 175.046 176.300 0.040 0.000 1.037 46 R CA -0.264 55.865 56.100 0.048 0.000 0.920 46 R CB 0.870 31.196 30.300 0.044 0.000 1.137 46 R HN 0.538 nan 8.270 nan 0.000 0.492 47 V N 5.244 125.180 119.914 0.037 0.000 2.530 47 V HA 0.143 4.262 4.120 -0.001 0.000 0.282 47 V C 0.042 176.150 176.094 0.023 0.000 1.048 47 V CA -0.620 61.698 62.300 0.030 0.000 0.997 47 V CB 1.441 33.282 31.823 0.029 0.000 0.987 47 V HN 0.566 nan 8.190 nan 0.000 0.477 48 Q N 2.546 122.358 119.800 0.020 0.000 2.296 48 Q HA 0.416 4.756 4.340 -0.001 0.000 0.257 48 Q C 0.049 176.057 176.000 0.012 0.000 0.942 48 Q CA -0.108 55.704 55.803 0.015 0.000 0.939 48 Q CB 0.679 29.425 28.738 0.013 0.000 1.198 48 Q HN 0.759 nan 8.270 nan 0.000 0.429 49 T N 1.834 116.394 114.554 0.011 0.000 2.884 49 T HA 0.568 4.917 4.350 -0.001 0.000 0.298 49 T C 0.473 175.178 174.700 0.007 0.000 0.998 49 T CA -0.194 61.912 62.100 0.009 0.000 1.124 49 T CB 0.828 69.701 68.868 0.009 0.000 0.931 49 T HN 0.697 nan 8.240 nan 0.000 0.531 50 G N 0.964 109.767 108.800 0.006 0.000 2.887 50 G HA2 0.462 4.421 3.960 -0.001 0.000 0.277 50 G HA3 0.462 4.421 3.960 -0.001 0.000 0.277 50 G C 0.594 175.496 174.900 0.003 0.000 1.346 50 G CA -0.717 44.386 45.100 0.004 0.000 1.058 50 G HN 0.639 nan 8.290 nan 0.000 0.535 51 E N -0.559 119.642 120.200 0.002 0.000 2.489 51 E HA 0.025 4.374 4.350 -0.001 0.000 0.193 51 E C 0.700 177.301 176.600 0.002 0.000 1.057 51 E CA 0.390 56.791 56.400 0.002 0.000 0.866 51 E CB 0.749 30.450 29.700 0.001 0.000 0.916 51 E HN 0.403 nan 8.360 nan 0.000 0.500 52 E N 0.501 120.702 120.200 0.002 0.000 2.498 52 E HA 0.238 4.587 4.350 -0.001 0.000 0.203 52 E C 0.633 177.235 176.600 0.002 0.000 1.013 52 E CA 0.526 56.927 56.400 0.001 0.000 0.927 52 E CB 0.569 30.269 29.700 0.000 0.000 1.012 52 E HN 0.355 nan 8.360 nan 0.000 0.482 53 G N 0.719 109.521 108.800 0.003 0.000 2.578 53 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.232 53 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.232 53 G C -0.268 174.635 174.900 0.005 0.000 1.176 53 G CA -0.146 44.957 45.100 0.004 0.000 0.968 53 G HN 0.208 nan 8.290 nan 0.000 0.583 54 M N 2.959 122.563 119.600 0.005 0.000 2.180 54 M HA 0.600 5.079 4.480 -0.001 0.000 0.358 54 M C -2.173 174.131 176.300 0.006 0.000 1.233 54 M CA -1.896 53.408 55.300 0.007 0.000 1.114 54 M CB 0.836 33.440 32.600 0.007 0.000 1.594 54 M HN 0.283 nan 8.290 nan 0.000 0.467 55 P HA -0.008 nan 4.420 nan 0.000 0.262 55 P C 0.305 177.609 177.300 0.007 0.000 1.199 55 P CA -0.169 62.936 63.100 0.008 0.000 0.763 55 P CB 0.330 32.037 31.700 0.011 0.000 0.790 56 L N 3.247 124.472 121.223 0.003 0.000 1.997 56 L HA -0.362 3.977 4.340 -0.001 0.000 0.227 56 L C 2.517 179.389 176.870 0.003 0.000 1.087 56 L CA 2.924 57.764 54.840 0.001 0.000 0.797 56 L CB -1.969 40.089 42.059 -0.002 0.000 0.902 56 L HN 0.469 nan 8.230 nan 0.000 0.441 57 S N -2.280 113.423 115.700 0.006 0.000 2.365 57 S HA -0.266 4.203 4.470 -0.001 0.000 0.225 57 S C 1.973 176.583 174.600 0.016 0.000 1.039 57 S CA 1.866 60.072 58.200 0.011 0.000 1.033 57 S CB -1.290 61.920 63.200 0.016 0.000 0.887 57 S HN 0.518 nan 8.310 nan 0.000 0.447 58 T N 3.166 117.733 114.554 0.020 0.000 2.607 58 T HA -0.049 4.300 4.350 -0.001 0.000 0.267 58 T C 1.778 176.485 174.700 0.012 0.000 1.049 58 T CA 1.820 63.933 62.100 0.023 0.000 1.162 58 T CB -0.659 68.224 68.868 0.024 0.000 0.863 58 T HN 0.412 nan 8.240 nan 0.000 0.424 59 I N 0.726 121.301 120.570 0.008 0.000 2.118 59 I HA -0.259 3.910 4.170 -0.001 0.000 0.241 59 I C 2.855 178.972 176.117 -0.001 0.000 1.070 59 I CA 1.610 62.911 61.300 0.002 0.000 1.327 59 I CB -0.428 37.572 38.000 0.000 0.000 1.034 59 I HN 0.195 nan 8.210 nan 0.000 0.405 60 R N 0.605 121.103 120.500 -0.002 0.000 2.091 60 R HA -0.190 4.150 4.340 -0.001 0.000 0.238 60 R C 2.199 178.495 176.300 -0.007 0.000 1.136 60 R CA 1.625 57.721 56.100 -0.007 0.000 0.959 60 R CB -0.352 29.944 30.300 -0.008 0.000 0.856 60 R HN 0.510 nan 8.270 nan 0.000 0.437 61 E N 0.158 120.356 120.200 -0.004 0.000 2.047 61 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 61 E C 2.111 178.701 176.600 -0.018 0.000 0.987 61 E CA 1.340 57.732 56.400 -0.014 0.000 0.799 61 E CB -0.042 29.651 29.700 -0.011 0.000 0.752 61 E HN 0.080 nan 8.360 nan 0.000 0.449 62 V N 1.685 121.593 119.914 -0.011 0.000 2.343 62 V HA -0.290 3.829 4.120 -0.001 0.000 0.247 62 V C 2.396 178.490 176.094 -0.000 0.000 1.051 62 V CA 1.825 64.116 62.300 -0.014 0.000 1.036 62 V CB -0.836 30.980 31.823 -0.013 0.000 0.654 62 V HN 0.321 nan 8.190 nan 0.000 0.451 63 A N -0.163 122.659 122.820 0.005 0.000 1.917 63 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 63 A C 2.392 180.003 177.584 0.046 0.000 1.182 63 A CA 2.354 54.401 52.037 0.016 0.000 0.633 63 A CB -0.698 18.298 19.000 -0.006 0.000 0.819 63 A HN 0.364 nan 8.150 nan 0.000 0.448 64 V N -0.077 119.855 119.914 0.031 0.000 2.379 64 V HA -0.203 3.916 4.120 -0.001 0.000 0.245 64 V C 2.547 178.686 176.094 0.075 0.000 1.044 64 V CA 1.697 64.030 62.300 0.056 0.000 1.036 64 V CB -0.740 31.091 31.823 0.012 0.000 0.664 64 V HN 0.557 nan 8.190 nan 0.000 0.453 65 L N -0.667 120.577 121.223 0.036 0.000 1.989 65 L HA -0.169 4.170 4.340 -0.001 0.000 0.211 65 L C 2.896 179.799 176.870 0.055 0.000 1.071 65 L CA 1.506 56.369 54.840 0.038 0.000 0.749 65 L CB -0.720 41.348 42.059 0.014 0.000 0.890 65 L HN 0.195 nan 8.230 nan 0.000 0.431 66 R N -0.597 119.927 120.500 0.041 0.000 2.117 66 R HA -0.231 4.108 4.340 -0.001 0.000 0.243 66 R C 2.199 178.558 176.300 0.099 0.000 1.143 66 R CA 1.647 57.774 56.100 0.045 0.000 0.968 66 R CB -1.026 29.299 30.300 0.042 0.000 0.863 66 R HN 0.456 nan 8.270 nan 0.000 0.444 67 H N 0.450 119.550 119.070 0.051 0.000 2.333 67 H HA 0.078 4.634 4.556 -0.001 0.000 0.302 67 H C 2.016 177.475 175.328 0.217 0.000 1.075 67 H CA 1.429 57.536 56.048 0.098 0.000 1.348 67 H CB -0.197 29.623 29.762 0.097 0.000 1.393 67 H HN 0.030 nan 8.280 nan 0.000 0.509 68 L N 0.253 121.603 121.223 0.211 0.000 2.265 68 L HA -0.122 4.218 4.340 -0.001 0.000 0.215 68 L C 2.341 179.427 176.870 0.360 0.000 1.117 68 L CA 1.347 56.351 54.840 0.274 0.000 0.782 68 L CB -0.285 41.861 42.059 0.145 0.000 0.914 68 L HN 0.332 nan 8.230 nan 0.000 0.441 69 E N 0.352 120.653 120.200 0.167 0.000 2.150 69 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 69 E C 1.939 178.567 176.600 0.046 0.000 0.985 69 E CA 1.785 58.239 56.400 0.091 0.000 0.814 69 E CB -0.186 29.534 29.700 0.034 0.000 0.752 69 E HN 0.348 nan 8.360 nan 0.000 0.466 70 T N 0.170 114.699 114.554 -0.042 0.000 2.685 70 T HA -0.198 4.151 4.350 -0.001 0.000 0.268 70 T C 1.319 175.873 174.700 -0.242 0.000 1.034 70 T CA 1.724 63.684 62.100 -0.232 0.000 1.149 70 T CB -0.552 67.994 68.868 -0.536 0.000 0.860 70 T HN 0.209 nan 8.240 nan 0.000 0.449 71 F N 1.232 121.141 119.950 -0.068 0.000 2.604 71 F HA 0.159 4.685 4.527 -0.001 0.000 0.298 71 F C 1.148 176.868 175.800 -0.134 0.000 1.131 71 F CA -0.085 57.885 58.000 -0.051 0.000 1.457 71 F CB -0.910 38.139 39.000 0.081 0.000 1.095 71 F HN 0.158 nan 8.300 nan 0.000 0.574 72 E N 0.152 120.378 120.200 0.043 0.000 2.149 72 E HA -0.326 4.023 4.350 -0.001 0.000 0.191 72 E C -0.107 176.406 176.600 -0.145 0.000 1.384 72 E CA 0.181 56.557 56.400 -0.041 0.000 0.698 72 E CB -1.776 27.903 29.700 -0.035 0.000 1.086 72 E HN 0.550 nan 8.360 nan 0.000 0.338 73 H N 0.893 119.718 119.070 -0.408 0.000 2.803 73 H HA 0.051 4.606 4.556 -0.001 0.000 0.330 73 H C -0.924 174.225 175.328 -0.298 0.000 1.057 73 H CA -1.176 54.545 56.048 -0.545 0.000 1.458 73 H CB 0.996 30.066 29.762 -1.154 0.000 1.470 73 H HN 0.007 nan 8.280 nan 0.000 0.560 74 P HA -0.140 nan 4.420 nan 0.000 0.225 74 P C -0.105 177.201 177.300 0.009 0.000 1.148 74 P CA 1.002 64.024 63.100 -0.131 0.000 0.779 74 P CB 0.514 32.100 31.700 -0.190 0.000 0.780 75 N N -0.346 118.493 118.700 0.232 0.000 2.238 75 N HA 0.134 4.873 4.740 -0.001 0.000 0.222 75 N C -0.232 175.281 175.510 0.006 0.000 1.133 75 N CA 0.070 53.187 53.050 0.112 0.000 0.854 75 N CB 1.388 39.942 38.487 0.112 0.000 1.041 75 N HN 0.070 nan 8.380 nan 0.000 0.510 76 V N 0.853 120.768 119.914 0.001 0.000 2.735 76 V HA 0.254 4.374 4.120 -0.001 0.000 0.310 76 V C 0.284 176.357 176.094 -0.036 0.000 1.061 76 V CA -1.058 61.222 62.300 -0.034 0.000 0.913 76 V CB 2.891 34.705 31.823 -0.015 0.000 1.005 76 V HN -0.153 nan 8.190 nan 0.000 0.428 77 V N 5.652 125.526 119.914 -0.066 0.000 2.673 77 V HA 0.248 4.367 4.120 -0.001 0.000 0.303 77 V C 0.579 176.648 176.094 -0.042 0.000 1.046 77 V CA -0.165 62.089 62.300 -0.077 0.000 1.126 77 V CB 0.817 32.542 31.823 -0.163 0.000 0.934 77 V HN 0.817 nan 8.190 nan 0.000 0.487 78 R N 4.614 125.056 120.500 -0.097 0.000 2.543 78 R HA 0.267 4.607 4.340 -0.001 0.000 0.277 78 R C -0.449 175.685 176.300 -0.276 0.000 1.074 78 R CA -0.424 55.575 56.100 -0.169 0.000 1.076 78 R CB 0.566 30.736 30.300 -0.216 0.000 0.993 78 R HN 0.674 nan 8.270 nan 0.000 0.459 79 L N 4.336 125.434 121.223 -0.209 0.000 2.283 79 L HA 0.269 4.608 4.340 -0.001 0.000 0.281 79 L C 0.087 176.802 176.870 -0.258 0.000 1.033 79 L CA 0.066 54.672 54.840 -0.388 0.000 0.848 79 L CB 0.353 42.225 42.059 -0.312 0.000 1.226 79 L HN 0.442 nan 8.230 nan 0.000 0.429 80 F N 1.367 121.224 119.950 -0.156 0.000 2.206 80 F HA 0.194 4.721 4.527 -0.001 0.000 0.298 80 F C 1.036 176.779 175.800 -0.095 0.000 1.090 80 F CA 0.199 58.151 58.000 -0.078 0.000 1.323 80 F CB -0.254 38.741 39.000 -0.009 0.000 1.028 80 F HN 0.502 nan 8.300 nan 0.000 0.492 81 D N -2.257 118.135 120.400 -0.013 0.000 2.639 81 D HA 0.476 5.115 4.640 -0.001 0.000 0.271 81 D C -1.571 174.650 176.300 -0.132 0.000 1.254 81 D CA -0.304 53.680 54.000 -0.026 0.000 0.810 81 D CB 2.415 43.272 40.800 0.095 0.000 1.351 81 D HN -0.323 nan 8.370 nan 0.000 0.427 82 V N 1.182 121.060 119.914 -0.061 0.000 2.488 82 V HA 0.406 4.526 4.120 -0.001 0.000 0.293 82 V C -0.412 175.678 176.094 -0.007 0.000 1.027 82 V CA -0.723 61.538 62.300 -0.065 0.000 0.862 82 V CB 1.378 33.165 31.823 -0.059 0.000 1.008 82 V HN 0.701 nan 8.190 nan 0.000 0.428 83 C N 3.269 122.571 119.300 0.003 0.000 2.376 83 C HA 0.827 5.287 4.460 -0.001 0.000 0.335 83 C C 0.645 175.652 174.990 0.028 0.000 1.229 83 C CA -0.311 58.730 59.018 0.037 0.000 1.867 83 C CB 1.526 29.311 27.740 0.075 0.000 2.319 83 C HN 0.875 nan 8.230 nan 0.000 0.515 84 T N 1.930 116.501 114.554 0.029 0.000 2.861 84 T HA 0.574 4.924 4.350 -0.001 0.000 0.287 84 T C -0.791 173.924 174.700 0.025 0.000 1.003 84 T CA -0.326 61.789 62.100 0.025 0.000 0.977 84 T CB 1.432 70.311 68.868 0.018 0.000 0.996 84 T HN 0.422 nan 8.240 nan 0.000 0.448 85 V N 3.489 123.418 119.914 0.025 0.000 2.443 85 V HA 0.284 4.403 4.120 -0.001 0.000 0.272 85 V C 0.214 176.320 176.094 0.020 0.000 1.002 85 V CA -1.035 61.278 62.300 0.022 0.000 0.840 85 V CB 1.172 33.009 31.823 0.024 0.000 1.042 85 V HN 1.057 nan 8.190 nan 0.000 0.446 86 S N 3.827 119.536 115.700 0.017 0.000 2.443 86 S HA 0.332 4.802 4.470 -0.001 0.000 0.284 86 S C 0.850 175.458 174.600 0.014 0.000 1.206 86 S CA -0.378 57.831 58.200 0.015 0.000 1.074 86 S CB 1.342 64.549 63.200 0.012 0.000 0.963 86 S HN 0.714 nan 8.310 nan 0.000 0.501 87 R N 2.894 123.403 120.500 0.015 0.000 2.072 87 R HA 0.013 4.353 4.340 -0.001 0.000 0.221 87 R C 1.295 177.602 176.300 0.011 0.000 1.166 87 R CA 1.835 57.943 56.100 0.014 0.000 0.917 87 R CB -0.495 29.815 30.300 0.016 0.000 0.815 87 R HN 0.869 nan 8.270 nan 0.000 0.444 88 T N -3.261 111.300 114.554 0.011 0.000 2.573 88 T HA 0.235 4.584 4.350 -0.001 0.000 0.259 88 T C 0.467 175.173 174.700 0.009 0.000 0.886 88 T CA -0.724 61.382 62.100 0.009 0.000 1.110 88 T CB 0.600 69.473 68.868 0.009 0.000 1.421 88 T HN 0.027 nan 8.240 nan 0.000 0.523 89 D N 0.279 120.684 120.400 0.008 0.000 2.084 89 D HA 0.019 4.659 4.640 -0.001 0.000 0.199 89 D C 2.205 178.511 176.300 0.009 0.000 0.981 89 D CA 0.981 54.985 54.000 0.008 0.000 0.841 89 D CB -0.191 40.612 40.800 0.006 0.000 0.997 89 D HN 0.437 nan 8.370 nan 0.000 0.454 90 R N 0.516 121.021 120.500 0.009 0.000 2.261 90 R HA -0.047 4.293 4.340 -0.001 0.000 0.236 90 R C 0.359 176.667 176.300 0.013 0.000 1.141 90 R CA 0.794 56.899 56.100 0.010 0.000 1.001 90 R CB 0.084 30.390 30.300 0.009 0.000 0.866 90 R HN 0.378 nan 8.270 nan 0.000 0.468 91 E N -0.315 119.893 120.200 0.014 0.000 2.293 91 E HA 0.285 4.635 4.350 -0.001 0.000 0.270 91 E C -1.092 175.519 176.600 0.019 0.000 0.879 91 E CA -0.439 55.972 56.400 0.017 0.000 0.756 91 E CB 2.654 32.366 29.700 0.019 0.000 1.208 91 E HN -0.180 nan 8.360 nan 0.000 0.428 92 T N 2.174 116.742 114.554 0.022 0.000 3.011 92 T HA 0.233 4.582 4.350 -0.001 0.000 0.303 92 T C -0.705 174.014 174.700 0.030 0.000 0.997 92 T CA -0.777 61.337 62.100 0.023 0.000 1.007 92 T CB 1.113 69.993 68.868 0.021 0.000 1.017 92 T HN 0.179 nan 8.240 nan 0.000 0.443 93 K N 3.086 123.505 120.400 0.033 0.000 2.273 93 K HA 0.389 4.708 4.320 -0.001 0.000 0.287 93 K C -0.516 176.109 176.600 0.043 0.000 1.089 93 K CA -0.372 55.941 56.287 0.042 0.000 0.909 93 K CB 0.833 33.358 32.500 0.042 0.000 1.123 93 K HN 0.433 nan 8.250 nan 0.000 0.473 94 L N 2.920 124.173 121.223 0.049 0.000 2.289 94 L HA 0.310 4.649 4.340 -0.001 0.000 0.285 94 L C -0.632 176.271 176.870 0.055 0.000 1.049 94 L CA -0.110 54.755 54.840 0.043 0.000 0.804 94 L CB 1.449 43.532 42.059 0.040 0.000 1.195 94 L HN 0.558 nan 8.230 nan 0.000 0.428 95 T N 5.708 120.285 114.554 0.037 0.000 2.881 95 T HA 0.462 4.811 4.350 -0.001 0.000 0.291 95 T C -0.417 174.268 174.700 -0.025 0.000 0.990 95 T CA -0.406 61.716 62.100 0.037 0.000 0.976 95 T CB 1.237 70.129 68.868 0.040 0.000 0.970 95 T HN 0.344 nan 8.240 nan 0.000 0.438 96 L N 3.307 124.514 121.223 -0.027 0.000 2.282 96 L HA 0.649 4.988 4.340 -0.001 0.000 0.288 96 L C -0.370 176.345 176.870 -0.258 0.000 1.033 96 L CA -1.120 53.597 54.840 -0.205 0.000 0.807 96 L CB 1.572 43.498 42.059 -0.222 0.000 1.209 96 L HN 0.322 nan 8.230 nan 0.000 0.423 97 V N 3.867 123.513 119.914 -0.446 0.000 2.398 97 V HA 0.472 4.591 4.120 -0.001 0.000 0.286 97 V C -0.342 175.457 176.094 -0.492 0.000 1.026 97 V CA -0.277 61.806 62.300 -0.362 0.000 0.868 97 V CB 1.279 32.815 31.823 -0.478 0.000 0.982 97 V HN 0.416 nan 8.190 nan 0.000 0.443 98 F N 1.623 121.457 119.950 -0.194 0.000 2.631 98 F HA 0.517 5.044 4.527 -0.001 0.000 0.328 98 F C 0.545 176.049 175.800 -0.494 0.000 1.067 98 F CA -1.120 56.642 58.000 -0.397 0.000 0.969 98 F CB 1.377 40.231 39.000 -0.243 0.000 1.332 98 F HN 0.596 nan 8.300 nan 0.000 0.490 99 E N -0.172 119.698 120.200 -0.550 0.000 2.383 99 E HA 0.186 4.535 4.350 -0.001 0.000 0.264 99 E C -1.335 175.350 176.600 0.141 0.000 1.050 99 E CA -0.417 55.858 56.400 -0.208 0.000 0.896 99 E CB 0.933 30.556 29.700 -0.129 0.000 0.982 99 E HN 0.620 nan 8.360 nan 0.000 0.424 100 H N 1.637 120.812 119.070 0.175 0.000 2.466 100 H HA 0.413 4.968 4.556 -0.001 0.000 0.338 100 H C -1.531 173.891 175.328 0.158 0.000 1.091 100 H CA -0.915 55.239 56.048 0.177 0.000 1.207 100 H CB 1.363 31.259 29.762 0.223 0.000 1.466 100 H HN 0.324 nan 8.280 nan 0.000 0.493 101 V N 5.354 125.039 119.914 -0.382 0.000 2.376 101 V HA 0.099 4.218 4.120 -0.001 0.000 0.287 101 V C 0.308 176.109 176.094 -0.488 0.000 1.015 101 V CA -0.837 61.283 62.300 -0.300 0.000 0.834 101 V CB 1.480 33.242 31.823 -0.102 0.000 1.001 101 V HN 0.868 nan 8.190 nan 0.000 0.428 102 D N 3.998 124.133 120.400 -0.441 0.000 2.494 102 D HA 0.060 4.700 4.640 -0.001 0.000 0.249 102 D C 0.369 176.622 176.300 -0.078 0.000 1.223 102 D CA 0.687 54.546 54.000 -0.237 0.000 0.865 102 D CB 0.262 41.054 40.800 -0.012 0.000 0.974 102 D HN 0.742 nan 8.370 nan 0.000 0.491 103 Q N 0.936 120.692 119.800 -0.074 0.000 2.352 103 Q HA 0.257 4.596 4.340 -0.001 0.000 0.270 103 Q C -2.001 173.999 176.000 -0.001 0.000 1.006 103 Q CA -0.846 54.949 55.803 -0.013 0.000 0.880 103 Q CB 1.595 30.339 28.738 0.011 0.000 1.392 103 Q HN -0.000 nan 8.270 nan 0.000 0.401 104 D N 1.654 122.068 120.400 0.025 0.000 2.497 104 D HA 0.266 4.905 4.640 -0.001 0.000 0.243 104 D C 0.633 176.974 176.300 0.068 0.000 1.039 104 D CA -0.836 53.187 54.000 0.037 0.000 1.052 104 D CB 0.778 41.599 40.800 0.035 0.000 1.344 104 D HN 0.417 nan 8.370 nan 0.000 0.553 105 L N 0.083 121.344 121.223 0.062 0.000 2.013 105 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 105 L C 1.922 178.874 176.870 0.136 0.000 1.073 105 L CA 2.270 57.175 54.840 0.109 0.000 0.753 105 L CB -1.224 40.873 42.059 0.063 0.000 0.890 105 L HN 0.701 nan 8.230 nan 0.000 0.432 106 T N -1.073 113.529 114.554 0.081 0.000 2.652 106 T HA -0.201 4.149 4.350 -0.001 0.000 0.267 106 T C 1.756 176.496 174.700 0.066 0.000 1.039 106 T CA 2.226 64.368 62.100 0.070 0.000 1.153 106 T CB -0.640 68.261 68.868 0.056 0.000 0.863 106 T HN 0.713 nan 8.240 nan 0.000 0.428 107 T N -0.149 114.447 114.554 0.070 0.000 2.881 107 T HA -0.159 4.190 4.350 -0.001 0.000 0.270 107 T C 1.750 176.506 174.700 0.093 0.000 1.068 107 T CA 1.177 63.316 62.100 0.064 0.000 1.131 107 T CB -0.614 68.285 68.868 0.053 0.000 0.871 107 T HN 0.487 nan 8.240 nan 0.000 0.479 108 Y N 1.892 122.195 120.300 0.005 0.000 2.153 108 Y HA 0.222 4.772 4.550 -0.001 0.000 0.289 108 Y C 2.148 178.053 175.900 0.007 0.000 1.119 108 Y CA 0.473 58.577 58.100 0.005 0.000 1.116 108 Y CB -0.636 37.826 38.460 0.003 0.000 1.004 108 Y HN 0.094 nan 8.280 nan 0.000 0.501 109 L N 0.511 121.631 121.223 -0.171 0.000 1.997 109 L HA -0.261 4.078 4.340 -0.001 0.000 0.216 109 L C 1.397 178.132 176.870 -0.226 0.000 1.074 109 L CA 2.170 56.852 54.840 -0.265 0.000 0.763 109 L CB -0.936 41.099 42.059 -0.039 0.000 0.890 109 L HN 0.435 nan 8.230 nan 0.000 0.434 110 D N -0.996 119.340 120.400 -0.107 0.000 2.519 110 D HA -0.066 4.573 4.640 -0.001 0.000 0.238 110 D C 1.113 177.364 176.300 -0.081 0.000 1.192 110 D CA 0.212 54.167 54.000 -0.075 0.000 0.835 110 D CB 0.120 40.909 40.800 -0.019 0.000 0.975 110 D HN 0.271 nan 8.370 nan 0.000 0.490 111 K N 0.100 120.412 120.400 -0.146 0.000 2.511 111 K HA 0.062 4.382 4.320 -0.001 0.000 0.209 111 K C 0.391 176.906 176.600 -0.142 0.000 1.301 111 K CA 0.010 56.232 56.287 -0.108 0.000 0.967 111 K CB 0.872 33.335 32.500 -0.062 0.000 1.109 111 K HN 0.105 nan 8.250 nan 0.000 0.561 112 V N 2.343 122.098 119.914 -0.266 0.000 2.999 112 V HA 0.225 4.344 4.120 -0.001 0.000 0.307 112 V C -2.093 173.935 176.094 -0.111 0.000 1.084 112 V CA -1.487 60.681 62.300 -0.219 0.000 1.155 112 V CB -0.106 31.528 31.823 -0.315 0.000 0.975 112 V HN 0.145 nan 8.190 nan 0.000 0.490 113 P HA 0.056 nan 4.420 nan 0.000 0.270 113 P C 0.565 177.843 177.300 -0.036 0.000 1.227 113 P CA 0.061 63.140 63.100 -0.035 0.000 0.788 113 P CB 0.748 32.438 31.700 -0.016 0.000 0.926 114 E N 2.243 122.430 120.200 -0.023 0.000 2.114 114 E HA -0.193 4.157 4.350 -0.001 0.000 0.199 114 E C -0.640 175.952 176.600 -0.014 0.000 1.008 114 E CA 2.277 58.666 56.400 -0.018 0.000 0.810 114 E CB -2.065 27.629 29.700 -0.010 0.000 0.739 114 E HN 0.389 nan 8.360 nan 0.000 0.456 115 P HA -0.114 nan 4.420 nan 0.000 0.217 115 P C 0.868 178.169 177.300 0.000 0.000 1.158 115 P CA 2.117 65.218 63.100 0.001 0.000 0.887 115 P CB -0.205 31.499 31.700 0.007 0.000 0.792 116 G N -2.024 106.766 108.800 -0.015 0.000 2.316 116 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.349 116 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.349 116 G C -1.272 173.608 174.900 -0.034 0.000 1.274 116 G CA -0.422 44.661 45.100 -0.029 0.000 1.018 116 G HN 0.112 nan 8.290 nan 0.000 0.486 117 V N 2.216 122.106 119.914 -0.041 0.000 2.555 117 V HA 0.405 4.525 4.120 -0.001 0.000 0.286 117 V C -1.497 174.612 176.094 0.025 0.000 1.044 117 V CA -0.656 61.646 62.300 0.002 0.000 1.026 117 V CB 1.130 32.970 31.823 0.029 0.000 0.981 117 V HN 0.607 nan 8.190 nan 0.000 0.480 118 P HA 0.015 nan 4.420 nan 0.000 0.264 118 P C 1.196 178.527 177.300 0.052 0.000 1.183 118 P CA 0.326 63.459 63.100 0.054 0.000 0.763 118 P CB 0.440 32.176 31.700 0.060 0.000 0.807 119 T N -0.450 114.145 114.554 0.069 0.000 2.803 119 T HA -0.228 4.122 4.350 -0.001 0.000 0.269 119 T C 1.524 176.280 174.700 0.093 0.000 1.052 119 T CA 1.296 63.459 62.100 0.105 0.000 1.136 119 T CB -0.446 68.517 68.868 0.159 0.000 0.864 119 T HN 0.250 nan 8.240 nan 0.000 0.467 120 E N 1.064 121.300 120.200 0.060 0.000 2.152 120 E HA -0.014 4.335 4.350 -0.001 0.000 0.192 120 E C 2.353 178.981 176.600 0.048 0.000 0.983 120 E CA 1.200 57.622 56.400 0.037 0.000 0.818 120 E CB -0.838 28.873 29.700 0.019 0.000 0.758 120 E HN 0.617 nan 8.360 nan 0.000 0.467 121 T N 0.468 115.056 114.554 0.056 0.000 2.857 121 T HA -0.024 4.325 4.350 -0.001 0.000 0.266 121 T C 1.891 176.637 174.700 0.077 0.000 1.048 121 T CA 0.993 63.128 62.100 0.058 0.000 1.139 121 T CB -0.152 68.763 68.868 0.079 0.000 0.874 121 T HN 0.147 nan 8.240 nan 0.000 0.455 122 I N 0.925 121.542 120.570 0.079 0.000 2.226 122 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 122 I C 2.647 178.903 176.117 0.232 0.000 1.100 122 I CA 1.282 62.635 61.300 0.089 0.000 1.374 122 I CB -0.314 37.635 38.000 -0.085 0.000 1.057 122 I HN 0.202 nan 8.210 nan 0.000 0.413 123 K N 0.969 121.518 120.400 0.249 0.000 2.025 123 K HA -0.263 4.057 4.320 -0.001 0.000 0.207 123 K C 1.832 178.614 176.600 0.305 0.000 1.049 123 K CA 2.175 58.650 56.287 0.313 0.000 0.933 123 K CB -0.146 32.363 32.500 0.015 0.000 0.714 123 K HN 0.158 nan 8.250 nan 0.000 0.438 124 D N 0.392 120.889 120.400 0.161 0.000 2.104 124 D HA -0.185 4.455 4.640 -0.001 0.000 0.194 124 D C 1.998 178.381 176.300 0.138 0.000 0.994 124 D CA 1.689 55.764 54.000 0.124 0.000 0.830 124 D CB 0.046 40.877 40.800 0.052 0.000 0.959 124 D HN 0.219 nan 8.370 nan 0.000 0.452 125 M N -0.894 118.765 119.600 0.098 0.000 2.086 125 M HA -0.126 4.354 4.480 -0.001 0.000 0.261 125 M C 2.203 178.543 176.300 0.066 0.000 1.067 125 M CA 1.125 56.456 55.300 0.051 0.000 1.116 125 M CB -0.253 32.362 32.600 0.026 0.000 1.348 125 M HN 0.140 nan 8.290 nan 0.000 0.407 126 M N -0.001 119.678 119.600 0.132 0.000 2.149 126 M HA -0.183 4.297 4.480 -0.001 0.000 0.261 126 M C 1.822 178.157 176.300 0.059 0.000 1.064 126 M CA 1.806 57.167 55.300 0.102 0.000 1.102 126 M CB -0.525 32.163 32.600 0.147 0.000 1.369 126 M HN 0.224 nan 8.290 nan 0.000 0.408 127 F N 0.092 119.994 119.950 -0.079 0.000 2.163 127 F HA -0.190 4.337 4.527 -0.001 0.000 0.297 127 F C 2.128 177.765 175.800 -0.271 0.000 1.094 127 F CA 1.706 59.434 58.000 -0.453 0.000 1.290 127 F CB -0.227 38.491 39.000 -0.470 0.000 1.017 127 F HN 0.208 nan 8.300 nan 0.000 0.483 128 Q N 0.353 120.087 119.800 -0.109 0.000 2.119 128 Q HA -0.189 4.150 4.340 -0.001 0.000 0.201 128 Q C 2.362 178.257 176.000 -0.174 0.000 0.972 128 Q CA 1.664 57.388 55.803 -0.131 0.000 0.847 128 Q CB -0.353 28.377 28.738 -0.014 0.000 0.903 128 Q HN 0.529 nan 8.270 nan 0.000 0.433 129 L N 0.645 121.782 121.223 -0.144 0.000 1.970 129 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 129 L C 2.140 178.892 176.870 -0.197 0.000 1.071 129 L CA 1.289 56.046 54.840 -0.139 0.000 0.751 129 L CB -0.175 41.826 42.059 -0.098 0.000 0.889 129 L HN 0.272 nan 8.230 nan 0.000 0.432 130 L N -0.767 120.307 121.223 -0.249 0.000 2.265 130 L HA -0.189 4.150 4.340 -0.001 0.000 0.215 130 L C 2.827 179.506 176.870 -0.319 0.000 1.117 130 L CA 0.564 55.242 54.840 -0.270 0.000 0.782 130 L CB -0.543 41.348 42.059 -0.280 0.000 0.914 130 L HN 0.272 nan 8.230 nan 0.000 0.441 131 R N 0.052 120.314 120.500 -0.396 0.000 2.062 131 R HA -0.065 4.274 4.340 -0.001 0.000 0.231 131 R C 2.310 178.476 176.300 -0.222 0.000 1.136 131 R CA 1.548 57.470 56.100 -0.297 0.000 0.948 131 R CB -1.150 29.002 30.300 -0.246 0.000 0.845 131 R HN 0.384 nan 8.270 nan 0.000 0.430 132 G N 1.115 109.761 108.800 -0.256 0.000 2.422 132 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 132 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 132 G C 1.437 176.160 174.900 -0.294 0.000 1.140 132 G CA 0.218 45.064 45.100 -0.424 0.000 0.775 132 G HN 0.167 nan 8.290 nan 0.000 0.545 133 L N 0.923 121.984 121.223 -0.270 0.000 2.072 133 L HA 0.058 4.397 4.340 -0.001 0.000 0.205 133 L C 2.252 178.859 176.870 -0.438 0.000 1.079 133 L CA 2.186 56.813 54.840 -0.354 0.000 0.752 133 L CB -0.485 41.381 42.059 -0.322 0.000 0.906 133 L HN 0.236 nan 8.230 nan 0.000 0.436 134 D N -1.178 119.066 120.400 -0.261 0.000 2.117 134 D HA -0.308 4.331 4.640 -0.001 0.000 0.197 134 D C 2.159 178.386 176.300 -0.121 0.000 0.987 134 D CA 1.501 55.413 54.000 -0.146 0.000 0.829 134 D CB -0.321 40.446 40.800 -0.055 0.000 0.961 134 D HN 0.388 nan 8.370 nan 0.000 0.460 135 F N 0.779 120.555 119.950 -0.290 0.000 2.043 135 F HA -0.211 4.316 4.527 -0.001 0.000 0.297 135 F C 2.088 177.797 175.800 -0.152 0.000 1.121 135 F CA 1.581 59.430 58.000 -0.251 0.000 1.199 135 F CB -0.292 38.372 39.000 -0.561 0.000 0.968 135 F HN -0.014 nan 8.300 nan 0.000 0.478 136 L N -0.491 120.518 121.223 -0.356 0.000 2.042 136 L HA -0.279 4.060 4.340 -0.001 0.000 0.210 136 L C 2.649 179.427 176.870 -0.153 0.000 1.076 136 L CA 1.320 55.958 54.840 -0.337 0.000 0.749 136 L CB -1.204 40.754 42.059 -0.169 0.000 0.893 136 L HN 0.255 nan 8.230 nan 0.000 0.432 137 H N -0.044 118.937 119.070 -0.149 0.000 2.270 137 H HA -0.134 4.421 4.556 -0.001 0.000 0.299 137 H C 2.624 177.852 175.328 -0.167 0.000 1.077 137 H CA 1.605 57.583 56.048 -0.116 0.000 1.294 137 H CB -0.824 28.897 29.762 -0.070 0.000 1.371 137 H HN 0.380 nan 8.280 nan 0.000 0.491 138 S N 0.452 116.104 115.700 -0.080 0.000 2.461 138 S HA -0.205 4.264 4.470 -0.001 0.000 0.246 138 S C 1.086 175.434 174.600 -0.421 0.000 1.007 138 S CA 1.526 59.584 58.200 -0.237 0.000 0.976 138 S CB -0.522 62.510 63.200 -0.282 0.000 0.763 138 S HN 0.545 nan 8.310 nan 0.000 0.508 139 H N 0.865 119.743 119.070 -0.320 0.000 2.469 139 H HA 0.471 5.027 4.556 -0.001 0.000 0.286 139 H C 0.197 175.413 175.328 -0.186 0.000 1.106 139 H CA -0.451 55.411 56.048 -0.310 0.000 1.055 139 H CB 0.242 29.690 29.762 -0.523 0.000 1.618 139 H HN 0.069 nan 8.280 nan 0.000 0.559 140 R N -0.290 120.163 120.500 -0.078 0.000 3.525 140 R HA -0.122 4.217 4.340 -0.001 0.000 0.276 140 R C -1.087 175.200 176.300 -0.021 0.000 1.116 140 R CA 0.233 56.305 56.100 -0.046 0.000 0.745 140 R CB -2.464 27.808 30.300 -0.046 0.000 1.185 140 R HN 0.139 nan 8.270 nan 0.000 0.454 141 V N 1.018 120.929 119.914 -0.004 0.000 2.417 141 V HA 0.434 4.553 4.120 -0.001 0.000 0.291 141 V C 0.489 176.646 176.094 0.105 0.000 1.024 141 V CA -0.705 61.601 62.300 0.010 0.000 0.861 141 V CB 2.386 34.183 31.823 -0.043 0.000 0.985 141 V HN -0.020 nan 8.190 nan 0.000 0.436 142 V N 4.361 124.324 119.914 0.083 0.000 2.435 142 V HA 0.323 4.442 4.120 -0.001 0.000 0.290 142 V C 0.929 177.099 176.094 0.127 0.000 1.030 142 V CA -0.393 61.995 62.300 0.148 0.000 0.881 142 V CB 1.432 33.299 31.823 0.074 0.000 0.983 142 V HN 0.959 nan 8.190 nan 0.000 0.445 143 H N 4.590 123.723 119.070 0.106 0.000 2.307 143 H HA 0.026 4.581 4.556 -0.001 0.000 0.303 143 H C 1.560 176.933 175.328 0.075 0.000 1.073 143 H CA 1.591 57.676 56.048 0.062 0.000 1.338 143 H CB 0.388 30.173 29.762 0.039 0.000 1.389 143 H HN 0.623 nan 8.280 nan 0.000 0.503 144 R N 0.054 120.736 120.500 0.304 0.000 3.884 144 R HA -0.195 4.144 4.340 -0.001 0.000 0.464 144 R C -0.426 176.029 176.300 0.260 0.000 0.963 144 R CA 1.422 57.656 56.100 0.224 0.000 1.408 144 R CB -2.003 28.377 30.300 0.134 0.000 2.054 144 R HN 0.535 nan 8.270 nan 0.000 0.522 145 D N 0.012 120.684 120.400 0.454 0.000 3.078 145 D HA 0.164 4.803 4.640 -0.001 0.000 0.363 145 D C -1.062 175.350 176.300 0.188 0.000 1.391 145 D CA -0.376 53.813 54.000 0.314 0.000 0.754 145 D CB 0.183 41.134 40.800 0.251 0.000 1.238 145 D HN -0.035 nan 8.370 nan 0.000 0.500 146 L N 2.514 123.725 121.223 -0.020 0.000 2.433 146 L HA 0.301 4.640 4.340 -0.001 0.000 0.284 146 L C 0.062 176.816 176.870 -0.194 0.000 1.120 146 L CA 0.429 55.100 54.840 -0.281 0.000 0.879 146 L CB -0.270 41.647 42.059 -0.237 0.000 1.232 146 L HN 0.163 nan 8.230 nan 0.000 0.454 147 K N 4.858 125.104 120.400 -0.256 0.000 2.385 147 K HA 0.604 4.924 4.320 -0.001 0.000 0.248 147 K C -2.460 173.931 176.600 -0.348 0.000 0.955 147 K CA -1.799 54.197 56.287 -0.485 0.000 0.816 147 K CB 1.617 33.965 32.500 -0.254 0.000 1.250 147 K HN 0.032 nan 8.250 nan 0.000 0.434 148 P HA -0.206 nan 4.420 nan 0.000 0.219 148 P C 0.433 177.698 177.300 -0.058 0.000 1.146 148 P CA 1.429 64.437 63.100 -0.153 0.000 0.808 148 P CB 0.241 31.890 31.700 -0.085 0.000 0.779 149 Q N -0.899 118.873 119.800 -0.047 0.000 2.472 149 Q HA 0.013 4.352 4.340 -0.001 0.000 0.208 149 Q C 1.455 177.518 176.000 0.106 0.000 0.958 149 Q CA 0.644 56.455 55.803 0.013 0.000 0.932 149 Q CB -0.758 27.977 28.738 -0.005 0.000 1.007 149 Q HN 0.224 nan 8.270 nan 0.000 0.508 150 N N -0.305 118.440 118.700 0.074 0.000 2.230 150 N HA 0.191 4.930 4.740 -0.001 0.000 0.202 150 N C -0.790 174.735 175.510 0.026 0.000 1.119 150 N CA 0.114 53.240 53.050 0.127 0.000 0.851 150 N CB 0.753 39.282 38.487 0.069 0.000 0.990 150 N HN 0.217 nan 8.380 nan 0.000 0.497 151 I N 1.853 122.429 120.570 0.009 0.000 2.405 151 I HA 0.243 4.412 4.170 -0.001 0.000 0.280 151 I C -0.307 175.815 176.117 0.008 0.000 1.027 151 I CA -0.499 60.788 61.300 -0.022 0.000 1.161 151 I CB 1.214 39.185 38.000 -0.049 0.000 1.300 151 I HN -0.285 nan 8.210 nan 0.000 0.463 152 L N 6.672 127.898 121.223 0.006 0.000 2.395 152 L HA 0.496 4.835 4.340 -0.001 0.000 0.269 152 L C -0.364 176.487 176.870 -0.032 0.000 1.133 152 L CA -0.734 54.110 54.840 0.006 0.000 0.812 152 L CB 1.345 43.411 42.059 0.011 0.000 1.125 152 L HN 0.258 nan 8.230 nan 0.000 0.452 153 V N 0.775 120.663 119.914 -0.044 0.000 2.447 153 V HA 0.231 4.350 4.120 -0.001 0.000 0.292 153 V C 0.351 176.397 176.094 -0.080 0.000 1.021 153 V CA -0.770 61.476 62.300 -0.090 0.000 0.850 153 V CB 1.550 33.282 31.823 -0.152 0.000 1.005 153 V HN 0.921 nan 8.190 nan 0.000 0.426 154 T N 1.147 115.659 114.554 -0.070 0.000 2.766 154 T HA 0.131 4.480 4.350 -0.001 0.000 0.295 154 T C 1.509 176.176 174.700 -0.055 0.000 1.024 154 T CA 0.272 62.344 62.100 -0.047 0.000 1.018 154 T CB 1.142 69.993 68.868 -0.028 0.000 1.002 154 T HN 0.823 nan 8.240 nan 0.000 0.532 155 S N 0.402 116.087 115.700 -0.025 0.000 2.447 155 S HA -0.099 4.371 4.470 -0.001 0.000 0.233 155 S C 2.021 176.606 174.600 -0.024 0.000 1.006 155 S CA 0.833 59.024 58.200 -0.015 0.000 0.957 155 S CB -0.923 62.283 63.200 0.010 0.000 0.773 155 S HN 0.719 nan 8.310 nan 0.000 0.507 156 S N 1.090 116.774 115.700 -0.026 0.000 2.453 156 S HA 0.345 4.815 4.470 -0.001 0.000 0.231 156 S C 1.608 176.179 174.600 -0.048 0.000 1.005 156 S CA 0.622 58.807 58.200 -0.026 0.000 0.949 156 S CB -0.495 62.694 63.200 -0.018 0.000 0.774 156 S HN 1.167 nan 8.310 nan 0.000 0.510 157 G N 1.148 109.899 108.800 -0.083 0.000 2.138 157 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.193 157 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.193 157 G C -0.198 174.641 174.900 -0.100 0.000 0.998 157 G CA -0.063 44.962 45.100 -0.126 0.000 0.668 157 G HN 0.545 nan 8.290 nan 0.000 0.516 158 Q N 0.406 120.162 119.800 -0.074 0.000 2.243 158 Q HA 0.620 4.960 4.340 -0.001 0.000 0.252 158 Q C 0.099 176.063 176.000 -0.059 0.000 0.909 158 Q CA -0.905 54.867 55.803 -0.052 0.000 0.922 158 Q CB 0.598 29.317 28.738 -0.032 0.000 1.215 158 Q HN 0.165 nan 8.270 nan 0.000 0.427 159 I N 3.860 124.402 120.570 -0.048 0.000 2.342 159 I HA 0.309 4.479 4.170 -0.001 0.000 0.291 159 I C -0.382 175.710 176.117 -0.041 0.000 1.010 159 I CA -0.105 61.165 61.300 -0.050 0.000 1.308 159 I CB 1.044 39.014 38.000 -0.050 0.000 1.400 159 I HN 0.661 nan 8.210 nan 0.000 0.488 160 K N 6.848 127.221 120.400 -0.045 0.000 2.579 160 K HA 0.504 4.824 4.320 -0.001 0.000 0.250 160 K C -0.949 175.613 176.600 -0.063 0.000 0.952 160 K CA -0.625 55.634 56.287 -0.047 0.000 0.857 160 K CB 2.199 34.674 32.500 -0.040 0.000 1.123 160 K HN 0.425 nan 8.250 nan 0.000 0.433 161 L N 2.899 124.078 121.223 -0.073 0.000 2.462 161 L HA 0.318 4.658 4.340 -0.001 0.000 0.272 161 L C 0.468 177.274 176.870 -0.107 0.000 1.166 161 L CA -0.034 54.758 54.840 -0.080 0.000 0.880 161 L CB 0.609 42.628 42.059 -0.067 0.000 1.142 161 L HN 0.717 nan 8.230 nan 0.000 0.473 162 A N 2.623 125.362 122.820 -0.135 0.000 2.464 162 A HA 0.730 5.049 4.320 -0.001 0.000 0.268 162 A C -0.885 176.566 177.584 -0.222 0.000 1.244 162 A CA -0.298 51.519 52.037 -0.366 0.000 0.871 162 A CB 1.544 20.134 19.000 -0.683 0.000 1.400 162 A HN 0.648 nan 8.150 nan 0.000 0.455 163 D N -1.777 118.306 120.400 -0.529 0.000 3.443 163 D HA 0.215 4.854 4.640 -0.001 0.000 0.243 163 D C -0.642 175.560 176.300 -0.162 0.000 1.446 163 D CA -0.251 53.632 54.000 -0.196 0.000 0.880 163 D CB -0.720 39.923 40.800 -0.262 0.000 1.470 163 D HN 0.188 nan 8.370 nan 0.000 0.658 164 F N 1.001 120.973 119.950 0.038 0.000 2.407 164 F HA 0.210 4.736 4.527 -0.001 0.000 0.299 164 F C 2.374 178.282 175.800 0.180 0.000 1.097 164 F CA 0.918 58.954 58.000 0.060 0.000 1.422 164 F CB 0.153 39.144 39.000 -0.016 0.000 1.067 164 F HN 0.462 nan 8.300 nan 0.000 0.539 165 G N 0.949 109.927 108.800 0.296 0.000 2.143 165 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.248 165 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.248 165 G C 0.004 174.888 174.900 -0.027 0.000 0.991 165 G CA -0.079 44.998 45.100 -0.037 0.000 0.689 165 G HN 0.294 nan 8.290 nan 0.000 0.522 166 L N 0.538 121.799 121.223 0.063 0.000 2.272 166 L HA 0.722 5.061 4.340 -0.001 0.000 0.289 166 L C 0.814 177.674 176.870 -0.016 0.000 1.032 166 L CA -0.424 54.414 54.840 -0.004 0.000 0.810 166 L CB 1.568 43.608 42.059 -0.032 0.000 1.205 166 L HN 0.272 nan 8.230 nan 0.000 0.422 167 A N 4.666 127.462 122.820 -0.041 0.000 2.316 167 A HA 0.627 4.946 4.320 -0.001 0.000 0.284 167 A C -0.238 177.316 177.584 -0.051 0.000 1.115 167 A CA -0.495 51.516 52.037 -0.043 0.000 0.812 167 A CB 0.837 19.807 19.000 -0.051 0.000 1.064 167 A HN 0.836 nan 8.150 nan 0.000 0.489 168 R N 2.376 122.843 120.500 -0.055 0.000 2.534 168 R HA 0.628 4.967 4.340 -0.001 0.000 0.301 168 R C -1.444 174.812 176.300 -0.074 0.000 0.961 168 R CA -0.549 55.518 56.100 -0.055 0.000 0.871 168 R CB 0.870 31.147 30.300 -0.038 0.000 1.170 168 R HN 0.701 nan 8.270 nan 0.000 0.446 169 I N 4.117 124.650 120.570 -0.062 0.000 2.385 169 I HA 0.275 4.444 4.170 -0.001 0.000 0.294 169 I C -0.815 175.273 176.117 -0.048 0.000 0.988 169 I CA -0.924 60.335 61.300 -0.069 0.000 1.265 169 I CB 1.332 39.296 38.000 -0.059 0.000 1.388 169 I HN 0.596 nan 8.210 nan 0.000 0.480 170 Y N 4.634 124.804 120.300 -0.217 0.000 2.393 170 Y HA 0.469 5.019 4.550 -0.001 0.000 0.341 170 Y C -0.574 175.183 175.900 -0.237 0.000 0.988 170 Y CA -0.511 57.457 58.100 -0.221 0.000 1.078 170 Y CB 1.798 40.080 38.460 -0.297 0.000 1.203 170 Y HN 0.487 nan 8.280 nan 0.000 0.453 171 S N 6.558 121.717 115.700 -0.902 0.000 2.474 171 S HA 0.418 4.888 4.470 -0.001 0.000 0.321 171 S C -1.094 173.091 174.600 -0.690 0.000 1.080 171 S CA -0.538 57.319 58.200 -0.571 0.000 1.106 171 S CB -0.025 62.993 63.200 -0.304 0.000 0.984 171 S HN 0.540 nan 8.310 nan 0.000 0.464 172 F N 4.244 124.155 119.950 -0.065 0.000 2.506 172 F HA 0.082 4.609 4.527 -0.001 0.000 0.371 172 F C 2.154 177.968 175.800 0.023 0.000 1.078 172 F CA -0.309 57.751 58.000 0.101 0.000 1.195 172 F CB 0.662 39.791 39.000 0.214 0.000 1.099 172 F HN 0.612 nan 8.300 nan 0.000 0.548 173 Q N 3.772 123.684 119.800 0.187 0.000 1.861 173 Q HA -0.278 4.061 4.340 -0.001 0.000 0.242 173 Q C 1.769 177.838 176.000 0.115 0.000 1.025 173 Q CA 2.093 57.962 55.803 0.110 0.000 0.886 173 Q CB -0.762 28.045 28.738 0.115 0.000 0.969 173 Q HN 0.750 nan 8.270 nan 0.000 0.418 174 M N 0.933 120.610 119.600 0.127 0.000 2.086 174 M HA -0.076 4.403 4.480 -0.001 0.000 0.261 174 M C 2.509 178.861 176.300 0.088 0.000 1.067 174 M CA 1.960 57.315 55.300 0.091 0.000 1.116 174 M CB -0.540 32.108 32.600 0.080 0.000 1.348 174 M HN 0.454 nan 8.290 nan 0.000 0.407 175 A N -0.058 122.832 122.820 0.118 0.000 2.019 175 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 175 A C 1.446 179.090 177.584 0.099 0.000 1.164 175 A CA 0.952 53.043 52.037 0.089 0.000 0.644 175 A CB -0.517 18.515 19.000 0.053 0.000 0.805 175 A HN 0.568 nan 8.150 nan 0.000 0.449 176 L N -0.691 120.607 121.223 0.125 0.000 3.597 176 L HA -0.154 4.185 4.340 -0.001 0.000 0.440 176 L C -0.289 176.646 176.870 0.109 0.000 1.277 176 L CA 1.193 56.088 54.840 0.093 0.000 0.852 176 L CB -2.289 39.804 42.059 0.057 0.000 1.708 176 L HN 0.411 nan 8.230 nan 0.000 0.885 177 T N -0.565 114.101 114.554 0.187 0.000 2.864 177 T HA 0.945 5.294 4.350 -0.001 0.000 0.289 177 T C -0.316 174.570 174.700 0.311 0.000 1.082 177 T CA -0.038 62.187 62.100 0.208 0.000 1.009 177 T CB 2.153 71.139 68.868 0.197 0.000 1.234 177 T HN 0.546 nan 8.240 nan 0.000 0.526 178 S N -0.334 115.530 115.700 0.273 0.000 2.596 178 S HA 0.893 5.362 4.470 -0.001 0.000 0.270 178 S C -0.924 173.808 174.600 0.219 0.000 1.155 178 S CA -0.878 57.453 58.200 0.217 0.000 0.827 178 S CB 1.369 64.602 63.200 0.056 0.000 1.130 178 S HN 1.167 nan 8.310 nan 0.000 0.467 179 V N -2.338 117.660 119.914 0.140 0.000 3.181 179 V HA 0.874 4.993 4.120 -0.001 0.000 0.308 179 V C -1.074 174.948 176.094 -0.119 0.000 1.214 179 V CA -1.002 61.329 62.300 0.052 0.000 1.053 179 V CB 1.442 33.329 31.823 0.108 0.000 1.069 179 V HN 0.830 nan 8.190 nan 0.000 0.441 180 V N 1.955 121.776 119.914 -0.155 0.000 2.364 180 V HA 0.211 4.331 4.120 -0.001 0.000 0.272 180 V C 1.395 177.276 176.094 -0.355 0.000 1.036 180 V CA 0.163 62.352 62.300 -0.186 0.000 0.880 180 V CB 1.137 32.902 31.823 -0.096 0.000 0.991 180 V HN 0.856 nan 8.190 nan 0.000 0.460 181 V N 3.821 123.456 119.914 -0.465 0.000 2.428 181 V HA -0.301 3.818 4.120 -0.001 0.000 0.255 181 V C 2.518 178.505 176.094 -0.179 0.000 1.080 181 V CA 2.696 64.604 62.300 -0.654 0.000 1.083 181 V CB -0.947 30.697 31.823 -0.298 0.000 0.665 181 V HN 1.060 nan 8.190 nan 0.000 0.461 182 T N -0.320 114.228 114.554 -0.009 0.000 2.849 182 T HA -0.214 4.135 4.350 -0.001 0.000 0.270 182 T C 1.831 176.656 174.700 0.207 0.000 1.066 182 T CA 1.750 63.965 62.100 0.192 0.000 1.130 182 T CB -0.337 68.592 68.868 0.103 0.000 0.864 182 T HN 0.431 nan 8.240 nan 0.000 0.481 183 L N 0.262 121.496 121.223 0.019 0.000 2.043 183 L HA -0.088 4.252 4.340 -0.001 0.000 0.212 183 L C 1.760 178.754 176.870 0.207 0.000 1.075 183 L CA 1.860 56.738 54.840 0.062 0.000 0.752 183 L CB -0.830 41.221 42.059 -0.013 0.000 0.891 183 L HN 0.423 nan 8.230 nan 0.000 0.432 184 W N -1.021 120.284 121.300 0.009 0.000 2.747 184 W HA -0.098 4.561 4.660 -0.001 0.000 0.244 184 W C 1.205 177.415 176.519 -0.515 0.000 1.270 184 W CA 0.473 57.672 57.345 -0.243 0.000 1.333 184 W CB -1.182 28.028 29.460 -0.416 0.000 1.139 184 W HN 0.367 nan 8.180 nan 0.000 0.662 185 Y N -1.260 119.276 120.300 0.393 0.000 2.563 185 Y HA 0.270 4.819 4.550 -0.001 0.000 0.250 185 Y C 1.233 177.342 175.900 0.348 0.000 1.126 185 Y CA -0.888 57.432 58.100 0.366 0.000 1.231 185 Y CB -0.180 38.434 38.460 0.255 0.000 1.288 185 Y HN -0.466 nan 8.280 nan 0.000 0.537 186 R N 2.010 122.694 120.500 0.306 0.000 2.489 186 R HA 0.390 4.729 4.340 -0.001 0.000 0.287 186 R C 0.382 176.629 176.300 -0.088 0.000 1.053 186 R CA -0.049 56.134 56.100 0.138 0.000 1.036 186 R CB 0.430 30.773 30.300 0.071 0.000 0.966 186 R HN 0.236 nan 8.270 nan 0.000 0.432 187 A N 5.825 128.508 122.820 -0.229 0.000 2.406 187 A HA 0.256 4.576 4.320 -0.001 0.000 0.243 187 A C -1.342 175.757 177.584 -0.807 0.000 1.082 187 A CA -1.064 50.501 52.037 -0.786 0.000 0.786 187 A CB 0.051 18.805 19.000 -0.411 0.000 1.029 187 A HN 0.433 nan 8.150 nan 0.000 0.495 188 P HA -0.133 nan 4.420 nan 0.000 0.216 188 P C 0.775 177.613 177.300 -0.770 0.000 1.153 188 P CA 1.572 64.085 63.100 -0.978 0.000 0.848 188 P CB 0.108 30.941 31.700 -1.446 0.000 0.787 189 E N -0.513 119.229 120.200 -0.764 0.000 2.097 189 E HA -0.150 4.200 4.350 -0.001 0.000 0.196 189 E C 1.935 178.165 176.600 -0.617 0.000 1.000 189 E CA 1.229 57.247 56.400 -0.637 0.000 0.804 189 E CB -1.478 27.884 29.700 -0.563 0.000 0.740 189 E HN 0.099 nan 8.360 nan 0.000 0.454 190 V N 0.901 120.491 119.914 -0.540 0.000 2.270 190 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 190 V C 2.304 178.274 176.094 -0.207 0.000 1.043 190 V CA 1.594 63.660 62.300 -0.390 0.000 1.014 190 V CB -0.718 31.020 31.823 -0.142 0.000 0.645 190 V HN 0.213 nan 8.190 nan 0.000 0.447 191 L N -0.484 120.603 121.223 -0.226 0.000 2.127 191 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 191 L C 2.138 178.949 176.870 -0.098 0.000 1.089 191 L CA 1.455 56.215 54.840 -0.134 0.000 0.757 191 L CB -0.467 41.489 42.059 -0.171 0.000 0.899 191 L HN 0.313 nan 8.230 nan 0.000 0.434 192 L N -0.578 120.535 121.223 -0.184 0.000 2.627 192 L HA 0.036 4.375 4.340 -0.001 0.000 0.232 192 L C 0.464 177.285 176.870 -0.081 0.000 1.150 192 L CA -0.029 54.749 54.840 -0.105 0.000 0.917 192 L CB -0.297 41.649 42.059 -0.188 0.000 1.104 192 L HN 0.301 nan 8.230 nan 0.000 0.445 193 Q N 0.069 119.819 119.800 -0.084 0.000 2.431 193 Q HA -0.248 4.092 4.340 -0.001 0.000 0.344 193 Q C 0.555 176.525 176.000 -0.050 0.000 1.384 193 Q CA 0.591 56.422 55.803 0.047 0.000 0.984 193 Q CB -0.962 27.856 28.738 0.133 0.000 1.204 193 Q HN 0.509 nan 8.270 nan 0.000 0.392 194 S N -0.951 114.556 115.700 -0.323 0.000 4.355 194 S HA 0.485 4.955 4.470 -0.001 0.000 0.201 194 S C 0.176 174.525 174.600 -0.418 0.000 1.044 194 S CA 0.152 58.195 58.200 -0.262 0.000 1.777 194 S CB 0.655 63.686 63.200 -0.282 0.000 0.797 194 S HN 0.511 nan 8.310 nan 0.000 0.774 195 S N 0.282 115.733 115.700 -0.414 0.000 2.603 195 S HA 0.416 4.886 4.470 -0.001 0.000 0.268 195 S C -0.943 173.276 174.600 -0.635 0.000 1.317 195 S CA -0.176 57.821 58.200 -0.338 0.000 1.012 195 S CB 0.175 63.257 63.200 -0.197 0.000 0.926 195 S HN 0.646 nan 8.310 nan 0.000 0.539 196 Y N -0.564 119.691 120.300 -0.076 0.000 2.721 196 Y HA 0.518 5.067 4.550 -0.001 0.000 0.251 196 Y C 0.943 176.807 175.900 -0.058 0.000 1.136 196 Y CA -0.533 57.527 58.100 -0.066 0.000 1.142 196 Y CB -0.341 38.090 38.460 -0.048 0.000 1.212 196 Y HN 0.929 nan 8.280 nan 0.000 0.565 197 A N -0.060 122.762 122.820 0.003 0.000 2.310 197 A HA 0.190 4.509 4.320 -0.001 0.000 0.260 197 A C 1.842 179.389 177.584 -0.062 0.000 1.112 197 A CA 0.607 52.627 52.037 -0.028 0.000 0.804 197 A CB 0.074 19.042 19.000 -0.054 0.000 1.081 197 A HN 0.353 nan 8.150 nan 0.000 0.499 198 T N -0.056 114.424 114.554 -0.124 0.000 2.751 198 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 198 T C -0.570 174.000 174.700 -0.216 0.000 1.045 198 T CA 2.411 64.349 62.100 -0.269 0.000 1.142 198 T CB -1.158 67.434 68.868 -0.461 0.000 0.851 198 T HN 0.507 nan 8.240 nan 0.000 0.474 199 P HA 0.001 nan 4.420 nan 0.000 0.219 199 P C 1.677 179.006 177.300 0.049 0.000 1.146 199 P CA 0.331 63.417 63.100 -0.022 0.000 0.808 199 P CB -0.170 31.514 31.700 -0.026 0.000 0.779 200 V N 0.636 120.559 119.914 0.016 0.000 2.277 200 V HA -0.335 3.785 4.120 -0.001 0.000 0.255 200 V C 1.911 178.106 176.094 0.169 0.000 1.074 200 V CA 2.365 64.698 62.300 0.056 0.000 1.058 200 V CB -0.981 30.861 31.823 0.031 0.000 0.656 200 V HN 0.184 nan 8.190 nan 0.000 0.449 201 D N -0.685 119.823 120.400 0.179 0.000 2.144 201 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 201 D C 2.079 178.499 176.300 0.200 0.000 0.978 201 D CA 1.092 55.222 54.000 0.217 0.000 0.833 201 D CB -0.199 40.782 40.800 0.301 0.000 0.961 201 D HN 0.402 nan 8.370 nan 0.000 0.470 202 L N 0.125 121.471 121.223 0.204 0.000 2.083 202 L HA -0.135 4.204 4.340 -0.001 0.000 0.209 202 L C 2.536 179.494 176.870 0.147 0.000 1.083 202 L CA 0.842 55.774 54.840 0.154 0.000 0.752 202 L CB -0.373 41.771 42.059 0.141 0.000 0.899 202 L HN 0.227 nan 8.230 nan 0.000 0.433 203 W N 0.868 122.202 121.300 0.058 0.000 2.342 203 W HA -0.202 4.457 4.660 -0.001 0.000 0.297 203 W C 2.331 178.925 176.519 0.126 0.000 1.213 203 W CA 1.877 59.260 57.345 0.063 0.000 1.251 203 W CB -0.146 29.316 29.460 0.003 0.000 1.136 203 W HN 0.146 nan 8.180 nan 0.000 0.526 204 S N 0.636 116.510 115.700 0.290 0.000 2.387 204 S HA -0.151 4.319 4.470 -0.001 0.000 0.226 204 S C 1.899 176.587 174.600 0.147 0.000 1.026 204 S CA 1.405 59.772 58.200 0.279 0.000 0.972 204 S CB -0.651 62.712 63.200 0.271 0.000 0.814 204 S HN 0.095 nan 8.310 nan 0.000 0.477 205 V N 2.037 122.000 119.914 0.082 0.000 2.287 205 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 205 V C 2.674 178.810 176.094 0.071 0.000 1.053 205 V CA 2.053 64.380 62.300 0.045 0.000 1.027 205 V CB -1.598 30.232 31.823 0.011 0.000 0.646 205 V HN 0.587 nan 8.190 nan 0.000 0.447 206 G N -1.240 107.560 108.800 0.000 0.000 2.469 206 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.219 206 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.219 206 G C 1.727 176.616 174.900 -0.018 0.000 1.150 206 G CA 1.432 46.514 45.100 -0.029 0.000 0.763 206 G HN 0.548 nan 8.290 nan 0.000 0.561 207 C N 0.249 119.523 119.300 -0.042 0.000 2.446 207 C HA 0.091 4.551 4.460 -0.001 0.000 0.277 207 C C 2.855 177.957 174.990 0.187 0.000 1.275 207 C CA 0.439 59.492 59.018 0.059 0.000 1.727 207 C CB -0.938 26.934 27.740 0.220 0.000 2.010 207 C HN 0.476 nan 8.230 nan 0.000 0.486 208 I N -0.088 120.630 120.570 0.247 0.000 2.252 208 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 208 I C 2.421 178.679 176.117 0.235 0.000 1.102 208 I CA 1.639 63.068 61.300 0.213 0.000 1.385 208 I CB -0.605 37.461 38.000 0.111 0.000 1.064 208 I HN 0.357 nan 8.210 nan 0.000 0.414 209 F N 1.878 121.853 119.950 0.042 0.000 2.065 209 F HA -0.348 4.179 4.527 -0.001 0.000 0.298 209 F C 2.630 178.511 175.800 0.135 0.000 1.112 209 F CA 1.377 59.412 58.000 0.057 0.000 1.212 209 F CB 0.018 39.034 39.000 0.026 0.000 0.975 209 F HN 0.057 nan 8.300 nan 0.000 0.476 210 A N -0.256 122.608 122.820 0.073 0.000 1.972 210 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 210 A C 2.008 179.629 177.584 0.061 0.000 1.169 210 A CA 1.870 53.886 52.037 -0.036 0.000 0.635 210 A CB -0.917 17.984 19.000 -0.165 0.000 0.810 210 A HN 0.614 nan 8.150 nan 0.000 0.446 211 E N -0.711 119.531 120.200 0.071 0.000 2.204 211 E HA -0.128 4.222 4.350 -0.001 0.000 0.194 211 E C 1.972 178.605 176.600 0.054 0.000 0.989 211 E CA 0.896 57.336 56.400 0.067 0.000 0.824 211 E CB -0.173 29.603 29.700 0.127 0.000 0.756 211 E HN 0.677 nan 8.360 nan 0.000 0.477 212 M N -0.457 119.165 119.600 0.037 0.000 2.159 212 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 212 M C 1.653 177.853 176.300 -0.166 0.000 1.063 212 M CA 1.366 56.628 55.300 -0.063 0.000 1.110 212 M CB -0.251 32.299 32.600 -0.084 0.000 1.374 212 M HN 0.155 nan 8.290 nan 0.000 0.411 213 F N 0.198 120.130 119.950 -0.031 0.000 2.074 213 F HA -0.121 4.406 4.527 -0.001 0.000 0.293 213 F C 2.558 178.325 175.800 -0.055 0.000 1.116 213 F CA 1.377 59.342 58.000 -0.059 0.000 1.212 213 F CB -0.497 38.423 39.000 -0.133 0.000 0.998 213 F HN -0.012 nan 8.300 nan 0.000 0.471 214 R N -0.024 120.556 120.500 0.134 0.000 2.115 214 R HA -0.028 4.312 4.340 -0.001 0.000 0.230 214 R C 0.620 176.928 176.300 0.013 0.000 1.111 214 R CA 0.837 56.964 56.100 0.046 0.000 0.976 214 R CB -0.315 29.985 30.300 0.001 0.000 0.870 214 R HN 0.108 nan 8.270 nan 0.000 0.445 215 R N 0.007 120.512 120.500 0.008 0.000 3.863 215 R HA -0.201 4.138 4.340 -0.001 0.000 0.313 215 R C -0.554 175.742 176.300 -0.006 0.000 1.202 215 R CA 1.283 57.377 56.100 -0.009 0.000 0.852 215 R CB -1.382 28.899 30.300 -0.031 0.000 1.292 215 R HN 0.233 nan 8.270 nan 0.000 0.519 216 K N -0.214 120.178 120.400 -0.013 0.000 2.542 216 K HA 0.416 4.735 4.320 -0.001 0.000 0.259 216 K C -2.953 173.602 176.600 -0.075 0.000 0.932 216 K CA -2.243 54.018 56.287 -0.042 0.000 0.820 216 K CB 2.154 34.622 32.500 -0.054 0.000 1.345 216 K HN -0.309 nan 8.250 nan 0.000 0.432 217 P HA 0.026 nan 4.420 nan 0.000 0.271 217 P C 0.066 177.162 177.300 -0.340 0.000 1.218 217 P CA -0.556 62.430 63.100 -0.190 0.000 0.780 217 P CB 0.645 32.192 31.700 -0.256 0.000 0.901 218 L N 3.206 124.186 121.223 -0.405 0.000 2.034 218 L HA 0.169 4.508 4.340 -0.001 0.000 0.203 218 L C 0.417 176.857 176.870 -0.718 0.000 1.074 218 L CA 1.652 56.094 54.840 -0.663 0.000 0.748 218 L CB -0.576 40.900 42.059 -0.971 0.000 0.905 218 L HN 0.237 nan 8.230 nan 0.000 0.439 219 F N 0.815 120.569 119.950 -0.327 0.000 2.307 219 F HA 0.422 4.948 4.527 -0.001 0.000 0.369 219 F C 0.495 175.976 175.800 -0.532 0.000 1.076 219 F CA -0.645 57.169 58.000 -0.310 0.000 1.149 219 F CB 0.309 39.235 39.000 -0.125 0.000 1.410 219 F HN -0.218 nan 8.300 nan 0.000 0.481 220 R N 2.270 122.445 120.500 -0.542 0.000 4.138 220 R HA 0.199 4.538 4.340 -0.001 0.000 0.206 220 R C 0.745 176.982 176.300 -0.105 0.000 1.667 220 R CA -0.465 55.017 56.100 -1.030 0.000 1.481 220 R CB 0.089 29.834 30.300 -0.926 0.000 1.388 220 R HN 0.739 nan 8.270 nan 0.000 0.776 221 G N -0.274 108.638 108.800 0.187 0.000 2.594 221 G HA2 0.034 3.994 3.960 -0.001 0.000 0.243 221 G HA3 0.034 3.994 3.960 -0.001 0.000 0.243 221 G C 0.458 175.656 174.900 0.497 0.000 1.229 221 G CA -0.476 44.805 45.100 0.301 0.000 0.843 221 G HN 0.325 nan 8.290 nan 0.000 0.578 222 S N -0.809 114.987 115.700 0.159 0.000 2.523 222 S HA 0.295 4.764 4.470 -0.001 0.000 0.217 222 S C 0.883 175.570 174.600 0.145 0.000 0.996 222 S CA 0.304 58.562 58.200 0.096 0.000 0.921 222 S CB 0.118 63.143 63.200 -0.291 0.000 0.829 222 S HN 1.093 nan 8.310 nan 0.000 0.495 223 S N 0.892 116.669 115.700 0.128 0.000 2.703 223 S HA 0.308 4.777 4.470 -0.001 0.000 0.273 223 S C -0.526 174.134 174.600 0.099 0.000 1.178 223 S CA -0.360 57.899 58.200 0.098 0.000 0.838 223 S CB 0.679 63.916 63.200 0.062 0.000 1.178 223 S HN 0.062 nan 8.310 nan 0.000 0.494 224 D N 0.142 120.589 120.400 0.078 0.000 2.289 224 D HA -0.000 4.639 4.640 -0.001 0.000 0.207 224 D C 1.586 177.937 176.300 0.085 0.000 0.966 224 D CA 0.877 54.919 54.000 0.071 0.000 0.868 224 D CB -0.261 40.571 40.800 0.053 0.000 0.943 224 D HN 0.363 nan 8.370 nan 0.000 0.514 225 V N 0.239 120.211 119.914 0.098 0.000 2.878 225 V HA -0.078 4.042 4.120 -0.001 0.000 0.250 225 V C 1.636 177.816 176.094 0.144 0.000 1.075 225 V CA 1.587 63.975 62.300 0.146 0.000 1.096 225 V CB -0.012 31.859 31.823 0.080 0.000 0.724 225 V HN -0.038 nan 8.190 nan 0.000 0.467 226 D N -0.482 119.971 120.400 0.088 0.000 2.123 226 D HA -0.167 4.473 4.640 -0.001 0.000 0.200 226 D C 2.070 178.412 176.300 0.069 0.000 0.976 226 D CA 1.545 55.585 54.000 0.066 0.000 0.831 226 D CB -0.014 40.805 40.800 0.032 0.000 0.974 226 D HN 0.497 nan 8.370 nan 0.000 0.469 227 Q N 0.271 120.119 119.800 0.080 0.000 2.030 227 Q HA -0.096 4.243 4.340 -0.001 0.000 0.204 227 Q C 2.369 178.349 176.000 -0.035 0.000 0.986 227 Q CA 1.339 57.176 55.803 0.057 0.000 0.843 227 Q CB -0.639 28.150 28.738 0.086 0.000 0.904 227 Q HN 0.359 nan 8.270 nan 0.000 0.420 228 L N -0.593 120.618 121.223 -0.020 0.000 1.997 228 L HA -0.244 4.095 4.340 -0.001 0.000 0.216 228 L C 2.242 179.050 176.870 -0.102 0.000 1.074 228 L CA 1.610 56.395 54.840 -0.092 0.000 0.763 228 L CB -1.036 41.030 42.059 0.010 0.000 0.890 228 L HN 0.546 nan 8.230 nan 0.000 0.434 229 G N -0.658 108.179 108.800 0.060 0.000 2.446 229 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.217 229 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.217 229 G C 1.593 176.486 174.900 -0.012 0.000 1.168 229 G CA 0.458 45.602 45.100 0.072 0.000 0.771 229 G HN 0.171 nan 8.290 nan 0.000 0.551 230 K N 0.326 120.714 120.400 -0.021 0.000 2.113 230 K HA -0.052 4.267 4.320 -0.001 0.000 0.208 230 K C 2.398 178.939 176.600 -0.100 0.000 1.047 230 K CA 0.876 57.154 56.287 -0.016 0.000 0.928 230 K CB -0.420 32.096 32.500 0.027 0.000 0.716 230 K HN 0.451 nan 8.250 nan 0.000 0.446 231 I N 0.570 120.943 120.570 -0.329 0.000 2.333 231 I HA -0.206 3.964 4.170 -0.001 0.000 0.246 231 I C 2.128 178.130 176.117 -0.191 0.000 1.106 231 I CA 0.745 61.689 61.300 -0.593 0.000 1.411 231 I CB -0.196 37.459 38.000 -0.576 0.000 1.082 231 I HN 0.007 nan 8.210 nan 0.000 0.420 232 L N 0.290 121.434 121.223 -0.132 0.000 2.275 232 L HA -0.171 4.169 4.340 -0.001 0.000 0.215 232 L C 1.810 178.680 176.870 0.000 0.000 1.119 232 L CA 0.797 55.596 54.840 -0.069 0.000 0.790 232 L CB -0.649 41.333 42.059 -0.130 0.000 0.919 232 L HN 0.233 nan 8.230 nan 0.000 0.443 233 D N -0.355 120.053 120.400 0.012 0.000 2.178 233 D HA -0.114 4.525 4.640 -0.001 0.000 0.202 233 D C 2.223 178.568 176.300 0.076 0.000 0.974 233 D CA 0.984 55.017 54.000 0.054 0.000 0.841 233 D CB 0.139 40.965 40.800 0.044 0.000 0.953 233 D HN 0.101 nan 8.370 nan 0.000 0.478 234 V N 1.236 121.196 119.914 0.077 0.000 2.391 234 V HA -0.065 4.055 4.120 -0.001 0.000 0.237 234 V C 2.406 178.594 176.094 0.156 0.000 1.046 234 V CA 0.948 63.322 62.300 0.124 0.000 1.053 234 V CB -0.414 31.481 31.823 0.121 0.000 0.704 234 V HN 0.188 nan 8.190 nan 0.000 0.475 235 I N -0.391 120.270 120.570 0.152 0.000 2.830 235 I HA 0.386 4.555 4.170 -0.001 0.000 0.263 235 I C 1.013 177.183 176.117 0.089 0.000 1.230 235 I CA 0.982 62.365 61.300 0.139 0.000 1.480 235 I CB -0.863 37.250 38.000 0.188 0.000 1.095 235 I HN 0.410 nan 8.210 nan 0.000 0.455 236 G N 1.734 110.571 108.800 0.061 0.000 2.705 236 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 236 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 236 G C -0.927 173.963 174.900 -0.017 0.000 1.285 236 G CA -0.388 44.732 45.100 0.034 0.000 0.800 236 G HN 0.383 nan 8.290 nan 0.000 0.611 237 L N 3.005 124.214 121.223 -0.023 0.000 2.534 237 L HA 0.475 4.815 4.340 -0.001 0.000 0.271 237 L C -1.139 175.674 176.870 -0.095 0.000 1.178 237 L CA -0.735 54.066 54.840 -0.066 0.000 0.907 237 L CB -0.022 42.016 42.059 -0.034 0.000 1.164 237 L HN 0.527 nan 8.230 nan 0.000 0.482 238 P HA 0.245 nan 4.420 nan 0.000 0.271 238 P C -0.421 176.842 177.300 -0.062 0.000 1.244 238 P CA -0.344 62.635 63.100 -0.201 0.000 0.793 238 P CB 0.435 31.786 31.700 -0.582 0.000 0.984 239 G N 0.058 108.846 108.800 -0.021 0.000 2.448 239 G HA2 0.121 4.081 3.960 -0.001 0.000 0.285 239 G HA3 0.121 4.081 3.960 -0.001 0.000 0.285 239 G C 0.769 175.696 174.900 0.046 0.000 1.176 239 G CA -0.187 44.918 45.100 0.009 0.000 0.852 239 G HN 0.408 nan 8.290 nan 0.000 0.530 240 E N 0.003 120.222 120.200 0.032 0.000 2.197 240 E HA -0.249 4.100 4.350 -0.001 0.000 0.205 240 E C 2.070 178.723 176.600 0.088 0.000 1.029 240 E CA 2.051 58.480 56.400 0.049 0.000 0.828 240 E CB 0.016 29.727 29.700 0.018 0.000 0.737 240 E HN 0.760 nan 8.360 nan 0.000 0.464 241 E N -0.619 119.621 120.200 0.068 0.000 2.204 241 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 241 E C 0.719 177.374 176.600 0.092 0.000 0.989 241 E CA 1.227 57.668 56.400 0.070 0.000 0.824 241 E CB 0.086 29.816 29.700 0.049 0.000 0.756 241 E HN 0.291 nan 8.360 nan 0.000 0.477 242 D N -0.554 119.908 120.400 0.104 0.000 2.360 242 D HA -0.057 4.582 4.640 -0.001 0.000 0.210 242 D C -0.004 176.412 176.300 0.194 0.000 1.047 242 D CA 0.032 54.109 54.000 0.128 0.000 0.854 242 D CB -0.003 40.859 40.800 0.103 0.000 0.936 242 D HN 0.230 nan 8.370 nan 0.000 0.514 243 W N 2.878 124.199 121.300 0.036 0.000 2.316 243 W HA 0.247 4.906 4.660 -0.001 0.000 0.321 243 W C -2.416 174.166 176.519 0.106 0.000 1.203 243 W CA -1.923 55.478 57.345 0.094 0.000 1.214 243 W CB 0.838 30.283 29.460 -0.026 0.000 1.169 243 W HN -0.202 nan 8.180 nan 0.000 0.561 244 P HA 0.079 nan 4.420 nan 0.000 0.268 244 P C -0.304 177.113 177.300 0.196 0.000 1.204 244 P CA 0.466 63.588 63.100 0.037 0.000 0.768 244 P CB 0.515 32.139 31.700 -0.128 0.000 0.842 245 R N 2.146 122.719 120.500 0.122 0.000 2.582 245 R HA 0.115 4.455 4.340 -0.001 0.000 0.271 245 R C -0.167 176.193 176.300 0.101 0.000 1.078 245 R CA -0.366 55.806 56.100 0.120 0.000 1.127 245 R CB 0.080 30.425 30.300 0.076 0.000 1.038 245 R HN 0.523 nan 8.270 nan 0.000 0.500 246 D N 0.219 120.677 120.400 0.097 0.000 2.803 246 D HA -0.147 4.493 4.640 -0.001 0.000 0.233 246 D C -1.193 175.159 176.300 0.087 0.000 1.182 246 D CA 0.736 54.782 54.000 0.077 0.000 0.726 246 D CB -0.731 40.100 40.800 0.052 0.000 0.987 246 D HN 0.059 nan 8.370 nan 0.000 0.412 247 V N 0.117 120.107 119.914 0.127 0.000 2.735 247 V HA 0.623 4.742 4.120 -0.001 0.000 0.310 247 V C 1.364 177.544 176.094 0.142 0.000 1.061 247 V CA -0.042 62.340 62.300 0.137 0.000 0.913 247 V CB 2.030 33.964 31.823 0.185 0.000 1.005 247 V HN 0.316 nan 8.190 nan 0.000 0.428 248 A N 5.132 128.019 122.820 0.112 0.000 1.986 248 A HA -0.042 4.278 4.320 -0.001 0.000 0.220 248 A C 0.868 178.516 177.584 0.107 0.000 1.171 248 A CA 1.509 53.600 52.037 0.090 0.000 0.640 248 A CB -0.312 18.730 19.000 0.072 0.000 0.811 248 A HN 0.605 nan 8.150 nan 0.000 0.451 249 L N 1.582 122.921 121.223 0.193 0.000 2.313 249 L HA 0.299 4.638 4.340 -0.001 0.000 0.273 249 L C -2.322 174.759 176.870 0.352 0.000 1.028 249 L CA -2.184 52.797 54.840 0.236 0.000 0.871 249 L CB 1.692 43.961 42.059 0.351 0.000 1.242 249 L HN 0.149 nan 8.230 nan 0.000 0.434 250 P HA 0.076 nan 4.420 nan 0.000 0.274 250 P C 0.334 177.237 177.300 -0.662 0.000 1.237 250 P CA -0.513 62.475 63.100 -0.188 0.000 0.793 250 P CB 1.237 32.850 31.700 -0.145 0.000 0.977 251 R N 1.600 121.254 120.500 -1.410 0.000 2.133 251 R HA -0.226 4.114 4.340 -0.001 0.000 0.247 251 R C 2.284 178.205 176.300 -0.633 0.000 1.151 251 R CA 2.311 57.457 56.100 -1.589 0.000 0.971 251 R CB -0.351 29.362 30.300 -0.979 0.000 0.866 251 R HN 0.569 nan 8.270 nan 0.000 0.447 252 Q N -1.040 118.515 119.800 -0.408 0.000 2.291 252 Q HA -0.042 4.297 4.340 -0.001 0.000 0.205 252 Q C 1.837 177.704 176.000 -0.221 0.000 0.970 252 Q CA 1.188 56.850 55.803 -0.234 0.000 0.876 252 Q CB -0.165 28.467 28.738 -0.176 0.000 0.935 252 Q HN 0.324 nan 8.270 nan 0.000 0.455 253 A N 0.691 123.335 122.820 -0.294 0.000 2.125 253 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 253 A C 0.031 177.198 177.584 -0.695 0.000 1.156 253 A CA 0.596 52.344 52.037 -0.482 0.000 0.671 253 A CB -0.269 18.359 19.000 -0.619 0.000 0.794 253 A HN 0.339 nan 8.150 nan 0.000 0.459 254 F N 0.227 120.024 119.950 -0.255 0.000 2.449 254 F HA 0.455 4.981 4.527 -0.001 0.000 0.342 254 F C 0.626 176.294 175.800 -0.219 0.000 1.127 254 F CA -1.554 56.287 58.000 -0.266 0.000 0.975 254 F CB 0.608 39.484 39.000 -0.205 0.000 1.146 254 F HN 0.316 nan 8.300 nan 0.000 0.444 255 H N -0.644 118.455 119.070 0.049 0.000 2.801 255 H HA 0.289 4.845 4.556 -0.001 0.000 0.377 255 H C 0.290 175.635 175.328 0.030 0.000 1.304 255 H CA -1.231 54.824 56.048 0.013 0.000 1.451 255 H CB -0.327 29.433 29.762 -0.003 0.000 1.474 255 H HN 0.547 nan 8.280 nan 0.000 0.620 256 S N 0.894 116.740 115.700 0.243 0.000 2.702 256 S HA 0.013 4.482 4.470 -0.001 0.000 0.314 256 S C -0.289 174.427 174.600 0.193 0.000 1.244 256 S CA -0.338 57.948 58.200 0.144 0.000 1.058 256 S CB -0.146 63.092 63.200 0.062 0.000 0.783 256 S HN 0.598 nan 8.310 nan 0.000 0.503 257 K N 2.577 123.047 120.400 0.117 0.000 2.471 257 K HA 0.340 4.659 4.320 -0.001 0.000 0.252 257 K C 0.971 177.611 176.600 0.066 0.000 0.938 257 K CA -0.426 55.924 56.287 0.105 0.000 0.796 257 K CB 1.962 34.508 32.500 0.077 0.000 1.161 257 K HN 0.771 nan 8.250 nan 0.000 0.425 258 S N 2.026 117.766 115.700 0.067 0.000 2.407 258 S HA 0.222 4.692 4.470 -0.001 0.000 0.192 258 S C 0.515 175.148 174.600 0.056 0.000 1.169 258 S CA 0.617 58.849 58.200 0.053 0.000 1.496 258 S CB -0.162 63.070 63.200 0.053 0.000 0.918 258 S HN 0.866 nan 8.310 nan 0.000 0.388 259 A N 0.069 122.932 122.820 0.071 0.000 1.609 259 A HA 0.305 4.624 4.320 -0.001 0.000 0.234 259 A C -0.574 177.066 177.584 0.095 0.000 1.966 259 A CA -0.753 51.333 52.037 0.081 0.000 1.907 259 A CB -1.189 17.847 19.000 0.060 0.000 0.504 259 A HN 0.522 nan 8.150 nan 0.000 0.880 260 Q N 2.457 122.342 119.800 0.142 0.000 2.395 260 Q HA 0.307 4.647 4.340 -0.001 0.000 0.271 260 Q C -1.916 174.162 176.000 0.130 0.000 1.026 260 Q CA -0.961 54.934 55.803 0.153 0.000 0.900 260 Q CB 0.648 29.561 28.738 0.292 0.000 1.266 260 Q HN 0.582 nan 8.270 nan 0.000 0.430 261 P HA -0.072 nan 4.420 nan 0.000 0.269 261 P C 0.334 177.630 177.300 -0.006 0.000 1.252 261 P CA 0.080 63.176 63.100 -0.006 0.000 0.780 261 P CB 0.590 32.255 31.700 -0.059 0.000 0.829 262 I N 4.793 125.391 120.570 0.046 0.000 2.181 262 I HA -0.323 3.846 4.170 -0.001 0.000 0.247 262 I C 2.163 178.263 176.117 -0.029 0.000 1.081 262 I CA 1.910 63.257 61.300 0.079 0.000 1.340 262 I CB -0.553 37.448 38.000 0.001 0.000 1.036 262 I HN 0.449 nan 8.210 nan 0.000 0.417 263 E N 0.948 121.067 120.200 -0.134 0.000 2.331 263 E HA -0.328 4.021 4.350 -0.001 0.000 0.199 263 E C 2.006 178.447 176.600 -0.266 0.000 1.008 263 E CA 1.519 57.797 56.400 -0.204 0.000 0.843 263 E CB -0.879 28.708 29.700 -0.189 0.000 0.761 263 E HN 0.675 nan 8.360 nan 0.000 0.507 264 K N 0.046 120.211 120.400 -0.391 0.000 2.280 264 K HA -0.105 4.214 4.320 -0.001 0.000 0.202 264 K C 1.009 177.100 176.600 -0.849 0.000 1.047 264 K CA 1.262 57.144 56.287 -0.676 0.000 0.942 264 K CB -0.038 31.892 32.500 -0.951 0.000 0.739 264 K HN 0.170 nan 8.250 nan 0.000 0.457 265 F N -0.986 118.889 119.950 -0.125 0.000 2.577 265 F HA 0.147 4.673 4.527 -0.001 0.000 0.276 265 F C 0.734 176.430 175.800 -0.172 0.000 1.032 265 F CA -0.626 57.288 58.000 -0.143 0.000 1.297 265 F CB 0.520 39.421 39.000 -0.166 0.000 1.061 265 F HN -0.326 nan 8.300 nan 0.000 0.680 266 V N 1.796 121.676 119.914 -0.057 0.000 2.008 266 V HA 0.073 4.193 4.120 -0.001 0.000 0.262 266 V C 0.672 176.610 176.094 -0.261 0.000 1.580 266 V CA -0.201 61.984 62.300 -0.192 0.000 1.515 266 V CB -0.837 30.778 31.823 -0.347 0.000 1.474 266 V HN 0.218 nan 8.190 nan 0.000 0.504 267 T N 2.049 116.513 114.554 -0.149 0.000 2.933 267 T HA 0.039 4.389 4.350 -0.001 0.000 0.306 267 T C 0.981 175.600 174.700 -0.135 0.000 1.045 267 T CA 1.313 63.331 62.100 -0.137 0.000 1.143 267 T CB -0.244 68.580 68.868 -0.074 0.000 1.003 267 T HN 0.973 nan 8.240 nan 0.000 0.540 268 D N 1.695 122.010 120.400 -0.142 0.000 3.006 268 D HA -0.176 4.464 4.640 -0.001 0.000 0.205 268 D C 0.157 176.343 176.300 -0.189 0.000 1.075 268 D CA 1.094 55.038 54.000 -0.092 0.000 1.000 268 D CB -1.642 39.171 40.800 0.023 0.000 1.097 268 D HN 0.709 nan 8.370 nan 0.000 0.426 269 I N 0.553 120.824 120.570 -0.498 0.000 3.138 269 I HA 0.155 4.324 4.170 -0.001 0.000 0.288 269 I C 0.712 176.635 176.117 -0.324 0.000 1.148 269 I CA 0.107 60.915 61.300 -0.820 0.000 1.315 269 I CB 0.439 37.742 38.000 -1.161 0.000 1.426 269 I HN 0.171 nan 8.210 nan 0.000 0.615 270 D N 3.359 123.645 120.400 -0.192 0.000 2.506 270 D HA 0.086 4.725 4.640 -0.001 0.000 0.254 270 D C 0.400 176.672 176.300 -0.046 0.000 1.089 270 D CA -0.503 53.471 54.000 -0.043 0.000 1.050 270 D CB 1.211 42.064 40.800 0.089 0.000 1.221 270 D HN 0.718 nan 8.370 nan 0.000 0.589 271 E N -0.653 119.547 120.200 0.001 0.000 2.058 271 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 271 E C 1.899 178.529 176.600 0.050 0.000 0.997 271 E CA 1.179 57.584 56.400 0.009 0.000 0.801 271 E CB 0.001 29.712 29.700 0.018 0.000 0.746 271 E HN 0.380 nan 8.360 nan 0.000 0.450 272 L N 0.147 121.446 121.223 0.126 0.000 2.240 272 L HA 0.058 4.398 4.340 -0.001 0.000 0.211 272 L C 2.364 179.329 176.870 0.158 0.000 1.106 272 L CA 1.357 56.335 54.840 0.229 0.000 0.793 272 L CB -0.552 41.703 42.059 0.328 0.000 0.927 272 L HN 0.232 nan 8.230 nan 0.000 0.446 273 G N -0.494 108.338 108.800 0.052 0.000 2.404 273 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.215 273 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.215 273 G C 1.692 176.458 174.900 -0.224 0.000 1.174 273 G CA 0.759 45.703 45.100 -0.260 0.000 0.780 273 G HN 0.347 nan 8.290 nan 0.000 0.537 274 K N 0.364 120.653 120.400 -0.185 0.000 2.103 274 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 274 K C 2.058 178.607 176.600 -0.085 0.000 1.048 274 K CA 1.819 58.001 56.287 -0.174 0.000 0.930 274 K CB -0.275 32.141 32.500 -0.140 0.000 0.716 274 K HN 0.287 nan 8.250 nan 0.000 0.444 275 D N 0.260 120.651 120.400 -0.015 0.000 2.084 275 D HA -0.200 4.440 4.640 -0.001 0.000 0.194 275 D C 1.943 178.253 176.300 0.016 0.000 0.990 275 D CA 1.185 55.221 54.000 0.061 0.000 0.826 275 D CB -0.075 40.847 40.800 0.204 0.000 0.971 275 D HN 0.174 nan 8.370 nan 0.000 0.453 276 L N 0.245 121.368 121.223 -0.167 0.000 1.989 276 L HA -0.095 4.244 4.340 -0.001 0.000 0.211 276 L C 2.203 179.018 176.870 -0.092 0.000 1.071 276 L CA 1.597 56.218 54.840 -0.366 0.000 0.749 276 L CB -1.231 40.343 42.059 -0.808 0.000 0.890 276 L HN 0.264 nan 8.230 nan 0.000 0.431 277 L N -0.525 120.709 121.223 0.017 0.000 2.021 277 L HA -0.263 4.077 4.340 -0.001 0.000 0.215 277 L C 2.316 179.167 176.870 -0.033 0.000 1.074 277 L CA 2.126 56.999 54.840 0.055 0.000 0.760 277 L CB -0.702 41.273 42.059 -0.140 0.000 0.889 277 L HN 0.374 nan 8.230 nan 0.000 0.433 278 L N -1.175 120.026 121.223 -0.037 0.000 2.291 278 L HA -0.133 4.206 4.340 -0.001 0.000 0.214 278 L C 2.394 179.272 176.870 0.013 0.000 1.120 278 L CA 0.785 55.617 54.840 -0.013 0.000 0.799 278 L CB -0.559 41.505 42.059 0.008 0.000 0.925 278 L HN 0.257 nan 8.230 nan 0.000 0.446 279 K N -0.756 119.654 120.400 0.017 0.000 2.296 279 K HA -0.043 4.276 4.320 -0.001 0.000 0.200 279 K C 2.054 178.677 176.600 0.038 0.000 1.048 279 K CA 0.776 57.089 56.287 0.043 0.000 0.966 279 K CB -0.006 32.530 32.500 0.060 0.000 0.754 279 K HN 0.369 nan 8.250 nan 0.000 0.466 280 C N 0.353 119.652 119.300 -0.002 0.000 2.564 280 C HA 0.063 4.523 4.460 -0.001 0.000 0.281 280 C C 1.314 176.243 174.990 -0.101 0.000 1.314 280 C CA -0.106 58.898 59.018 -0.023 0.000 1.706 280 C CB -0.303 27.411 27.740 -0.043 0.000 2.109 280 C HN 0.269 nan 8.230 nan 0.000 0.502 281 L N 2.284 123.373 121.223 -0.222 0.000 2.821 281 L HA 0.194 4.534 4.340 -0.001 0.000 0.239 281 L C 0.320 177.203 176.870 0.021 0.000 1.391 281 L CA 0.972 55.525 54.840 -0.477 0.000 1.231 281 L CB -1.781 40.011 42.059 -0.445 0.000 1.598 281 L HN 0.267 nan 8.230 nan 0.000 0.428 282 T N -0.458 114.228 114.554 0.220 0.000 2.749 282 T HA 0.116 4.466 4.350 -0.001 0.000 0.287 282 T C 1.064 175.998 174.700 0.392 0.000 0.970 282 T CA -0.349 61.922 62.100 0.286 0.000 0.980 282 T CB 0.901 69.869 68.868 0.168 0.000 0.924 282 T HN 0.198 nan 8.240 nan 0.000 0.456 283 F N 3.704 123.768 119.950 0.189 0.000 2.043 283 F HA -0.108 4.419 4.527 -0.001 0.000 0.297 283 F C 1.510 177.245 175.800 -0.108 0.000 1.121 283 F CA 1.262 59.243 58.000 -0.032 0.000 1.199 283 F CB 0.054 38.985 39.000 -0.115 0.000 0.968 283 F HN 0.460 nan 8.300 nan 0.000 0.478 284 N N 2.356 121.175 118.700 0.198 0.000 2.423 284 N HA -0.014 4.725 4.740 -0.001 0.000 0.275 284 N C -1.734 173.761 175.510 -0.025 0.000 1.283 284 N CA -1.315 51.772 53.050 0.061 0.000 0.932 284 N CB 0.616 39.168 38.487 0.109 0.000 1.185 284 N HN 0.135 nan 8.380 nan 0.000 0.483 285 P HA -0.165 nan 4.420 nan 0.000 0.218 285 P C 0.615 177.895 177.300 -0.034 0.000 1.146 285 P CA 1.055 64.100 63.100 -0.092 0.000 0.813 285 P CB 0.215 31.814 31.700 -0.168 0.000 0.778 286 A N -0.080 122.726 122.820 -0.024 0.000 2.169 286 A HA -0.017 4.302 4.320 -0.001 0.000 0.212 286 A C 1.908 179.504 177.584 0.020 0.000 1.153 286 A CA 0.803 52.838 52.037 -0.004 0.000 0.756 286 A CB -0.511 18.486 19.000 -0.004 0.000 0.813 286 A HN 0.197 nan 8.150 nan 0.000 0.471 287 K N -0.666 119.754 120.400 0.034 0.000 2.387 287 K HA 0.157 4.476 4.320 -0.001 0.000 0.203 287 K C 0.545 177.183 176.600 0.063 0.000 1.030 287 K CA -0.302 56.015 56.287 0.050 0.000 1.099 287 K CB 0.632 33.169 32.500 0.060 0.000 0.863 287 K HN 0.303 nan 8.250 nan 0.000 0.529 288 R N 1.801 122.338 120.500 0.062 0.000 2.410 288 R HA 0.267 4.606 4.340 -0.001 0.000 0.288 288 R C 0.019 176.362 176.300 0.072 0.000 1.051 288 R CA -0.334 55.815 56.100 0.081 0.000 1.021 288 R CB 0.618 30.977 30.300 0.097 0.000 1.032 288 R HN 0.048 nan 8.270 nan 0.000 0.481 289 I N 1.961 122.578 120.570 0.078 0.000 3.246 289 I HA -0.066 4.103 4.170 -0.001 0.000 0.280 289 I C 0.180 176.350 176.117 0.087 0.000 1.239 289 I CA 0.617 61.965 61.300 0.080 0.000 1.336 289 I CB 0.774 38.823 38.000 0.082 0.000 1.383 289 I HN 0.843 nan 8.210 nan 0.000 0.617 290 S N 4.237 119.996 115.700 0.099 0.000 2.718 290 S HA 0.608 5.077 4.470 -0.001 0.000 0.300 290 S C 0.692 175.380 174.600 0.147 0.000 1.117 290 S CA -0.232 58.044 58.200 0.127 0.000 1.002 290 S CB 1.593 64.878 63.200 0.142 0.000 1.092 290 S HN 0.794 nan 8.310 nan 0.000 0.542 291 A N 0.742 123.672 122.820 0.184 0.000 1.858 291 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 291 A C 1.970 179.647 177.584 0.154 0.000 1.190 291 A CA 1.733 53.846 52.037 0.127 0.000 0.617 291 A CB -1.559 17.490 19.000 0.081 0.000 0.827 291 A HN 1.011 nan 8.150 nan 0.000 0.443 292 Y N 1.572 121.895 120.300 0.038 0.000 2.165 292 Y HA -0.192 4.358 4.550 -0.001 0.000 0.286 292 Y C 2.750 178.694 175.900 0.074 0.000 1.155 292 Y CA 1.347 59.469 58.100 0.037 0.000 1.164 292 Y CB -0.718 37.765 38.460 0.039 0.000 0.978 292 Y HN 0.315 nan 8.280 nan 0.000 0.513 293 S N 0.406 116.132 115.700 0.043 0.000 2.343 293 S HA -0.207 4.262 4.470 -0.001 0.000 0.219 293 S C 2.355 177.005 174.600 0.083 0.000 1.033 293 S CA 1.338 59.519 58.200 -0.032 0.000 1.014 293 S CB -1.107 62.116 63.200 0.038 0.000 0.915 293 S HN 0.626 nan 8.310 nan 0.000 0.435 294 A N 1.367 124.271 122.820 0.141 0.000 1.958 294 A HA -0.162 4.157 4.320 -0.001 0.000 0.221 294 A C 2.083 179.909 177.584 0.402 0.000 1.178 294 A CA 1.551 53.719 52.037 0.219 0.000 0.642 294 A CB -0.816 18.265 19.000 0.135 0.000 0.816 294 A HN 0.383 nan 8.150 nan 0.000 0.453 295 L N -0.010 121.346 121.223 0.222 0.000 2.083 295 L HA -0.073 4.267 4.340 -0.001 0.000 0.209 295 L C 2.163 179.250 176.870 0.362 0.000 1.083 295 L CA 2.367 57.291 54.840 0.139 0.000 0.752 295 L CB -0.535 41.522 42.059 -0.004 0.000 0.899 295 L HN 0.324 nan 8.230 nan 0.000 0.433 296 S N -1.812 114.030 115.700 0.237 0.000 2.631 296 S HA 0.025 4.495 4.470 -0.001 0.000 0.217 296 S C 0.629 175.388 174.600 0.264 0.000 0.958 296 S CA -0.373 57.943 58.200 0.194 0.000 0.920 296 S CB -0.700 62.483 63.200 -0.028 0.000 0.776 296 S HN 0.416 nan 8.310 nan 0.000 0.517 297 H N 3.824 123.069 119.070 0.291 0.000 2.815 297 H HA 0.082 4.637 4.556 -0.001 0.000 0.350 297 H C -1.834 173.583 175.328 0.149 0.000 1.080 297 H CA -1.189 54.966 56.048 0.180 0.000 1.433 297 H CB 1.198 31.043 29.762 0.139 0.000 1.432 297 H HN 0.009 nan 8.280 nan 0.000 0.592 298 P HA -0.182 nan 4.420 nan 0.000 0.234 298 P C 1.011 178.378 177.300 0.112 0.000 1.162 298 P CA 0.852 63.927 63.100 -0.042 0.000 0.759 298 P CB -0.257 31.342 31.700 -0.168 0.000 0.813 299 Y N 0.673 121.088 120.300 0.191 0.000 2.263 299 Y HA -0.063 4.486 4.550 -0.001 0.000 0.292 299 Y C 1.583 177.359 175.900 -0.207 0.000 1.130 299 Y CA 1.242 59.307 58.100 -0.057 0.000 1.179 299 Y CB -0.777 37.490 38.460 -0.322 0.000 0.998 299 Y HN -0.251 nan 8.280 nan 0.000 0.532 300 F N 1.650 121.668 119.950 0.113 0.000 2.731 300 F HA 0.193 4.719 4.527 -0.001 0.000 0.304 300 F C 0.356 176.090 175.800 -0.111 0.000 1.133 300 F CA 0.143 58.092 58.000 -0.085 0.000 1.380 300 F CB -0.959 38.077 39.000 0.061 0.000 1.079 300 F HN 0.101 nan 8.300 nan 0.000 0.550 301 Q N 0.000 119.823 119.800 0.038 0.000 2.315 301 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 301 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 301 Q CB 0.000 28.721 28.738 -0.028 0.000 1.108 301 Q HN 0.000 nan 8.270 nan 0.000 0.481