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 3ibg_1_B DATA FIRST_RESID 12 DATA SEQUENCE LMEPTLQSIL SQKTLRWIFV GGKGGVGKTT TSCSLAIQLA KVRKSVLLIS DATA SEQUENCE TDPAHNLSDA FGQKFGKEAR LVDGYSNLSA MEIDPNGSIQ DLLASXXXXX DATA SEQUENCE XXXXXXXXXX XXXQDLAFSI PGVDEAMSFA EVLKQVKSLS YEVIVFDTAP DATA SEQUENCE TGHTLRFLQF PTVLEKALAK LSQLSSQFXX XXXSILGARG GLPGGQNIDE DATA SEQUENCE LLQKMESLRE TISEVNTQFK NPDMTTFVCV CIAEFLSLYE TERMIQELTS DATA SEQUENCE YGIDTHAIVV NQLLFPXXXX GCEQCNARRK MQKKYLEQIE ELYEDFNVVR DATA SEQUENCE MPLLVEEVRG KEKLEKFSEM LVHPYVP 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.892 176.870 0.036 0.000 1.165 12 L CA 0.000 54.861 54.840 0.035 0.000 0.813 12 L CB 0.000 42.078 42.059 0.032 0.000 0.961 13 M N 2.935 122.567 119.600 0.052 0.000 1.996 13 M HA 0.233 4.713 4.480 0.000 0.000 0.268 13 M C -0.540 175.800 176.300 0.067 0.000 0.888 13 M CA -0.659 54.676 55.300 0.058 0.000 0.939 13 M CB 1.580 34.227 32.600 0.078 0.000 1.736 13 M HN 0.547 nan 8.290 nan 0.000 0.407 14 E N 3.627 123.855 120.200 0.048 0.000 2.537 14 E HA -0.026 4.324 4.350 0.000 0.000 0.269 14 E C -2.368 174.266 176.600 0.057 0.000 1.038 14 E CA -0.540 55.886 56.400 0.043 0.000 0.977 14 E CB 0.042 29.754 29.700 0.020 0.000 0.973 14 E HN 0.248 nan 8.360 nan 0.000 0.456 15 P HA 0.199 nan 4.420 nan 0.000 0.225 15 P C -1.184 176.142 177.300 0.044 0.000 1.768 15 P CA 0.020 63.160 63.100 0.066 0.000 0.943 15 P CB 0.073 31.817 31.700 0.073 0.000 1.936 16 T N 0.192 114.767 114.554 0.036 0.000 2.900 16 T HA 0.310 4.660 4.350 0.000 0.000 0.303 16 T C 0.682 175.395 174.700 0.021 0.000 1.142 16 T CA -0.519 61.586 62.100 0.008 0.000 1.007 16 T CB 1.451 70.301 68.868 -0.029 0.000 1.156 16 T HN -0.042 nan 8.240 nan 0.000 0.490 17 L N 1.716 122.942 121.223 0.006 0.000 2.645 17 L HA 0.183 4.523 4.340 0.000 0.000 0.234 17 L C 2.455 179.333 176.870 0.013 0.000 1.165 17 L CA 0.245 55.094 54.840 0.014 0.000 0.944 17 L CB -0.225 41.834 42.059 0.001 0.000 1.149 17 L HN 0.753 nan 8.230 nan 0.000 0.446 18 Q N 0.611 120.409 119.800 -0.004 0.000 2.124 18 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 18 Q C 2.310 178.316 176.000 0.010 0.000 0.977 18 Q CA 2.054 57.847 55.803 -0.017 0.000 0.850 18 Q CB 0.153 28.860 28.738 -0.051 0.000 0.901 18 Q HN 0.609 nan 8.270 nan 0.000 0.429 19 S N -0.176 115.545 115.700 0.035 0.000 2.419 19 S HA -0.151 4.320 4.470 0.000 0.000 0.233 19 S C 1.813 176.454 174.600 0.069 0.000 1.016 19 S CA 1.130 59.358 58.200 0.046 0.000 0.974 19 S CB -0.399 62.837 63.200 0.060 0.000 0.786 19 S HN 0.437 nan 8.310 nan 0.000 0.492 20 I N 1.171 121.795 120.570 0.089 0.000 2.277 20 I HA -0.031 4.139 4.170 0.000 0.000 0.243 20 I C 2.270 178.410 176.117 0.039 0.000 1.094 20 I CA 0.825 62.175 61.300 0.082 0.000 1.393 20 I CB -0.339 37.698 38.000 0.062 0.000 1.078 20 I HN 0.240 nan 8.210 nan 0.000 0.417 21 L N 0.029 121.266 121.223 0.023 0.000 2.187 21 L HA -0.198 4.142 4.340 0.000 0.000 0.213 21 L C 2.427 179.304 176.870 0.011 0.000 1.100 21 L CA 1.055 55.902 54.840 0.011 0.000 0.765 21 L CB -0.589 41.475 42.059 0.008 0.000 0.904 21 L HN 0.170 nan 8.230 nan 0.000 0.437 22 S N -1.524 114.183 115.700 0.013 0.000 2.461 22 S HA -0.030 4.441 4.470 0.000 0.000 0.228 22 S C 0.789 175.396 174.600 0.011 0.000 1.005 22 S CA 0.370 58.575 58.200 0.009 0.000 0.942 22 S CB -0.075 63.128 63.200 0.006 0.000 0.776 22 S HN 0.421 nan 8.310 nan 0.000 0.514 23 Q N 1.351 121.162 119.800 0.018 0.000 2.307 23 Q HA 0.170 4.510 4.340 0.000 0.000 0.261 23 Q C 0.269 176.277 176.000 0.013 0.000 1.051 23 Q CA 0.200 56.014 55.803 0.019 0.000 0.911 23 Q CB 0.517 29.276 28.738 0.035 0.000 1.227 23 Q HN 0.281 nan 8.270 nan 0.000 0.418 24 K N 0.688 121.092 120.400 0.008 0.000 2.404 24 K HA -0.009 4.311 4.320 0.000 0.000 0.194 24 K C 1.478 178.079 176.600 0.002 0.000 1.023 24 K CA 0.662 56.950 56.287 0.001 0.000 1.094 24 K CB 0.507 33.006 32.500 -0.000 0.000 0.841 24 K HN 0.597 nan 8.250 nan 0.000 0.523 25 T N -1.274 113.288 114.554 0.012 0.000 3.065 25 T HA 0.163 4.513 4.350 0.000 0.000 0.252 25 T C 0.822 175.539 174.700 0.028 0.000 1.099 25 T CA -0.204 61.908 62.100 0.020 0.000 1.063 25 T CB -0.043 68.842 68.868 0.030 0.000 0.948 25 T HN -0.031 nan 8.240 nan 0.000 0.506 26 L N 1.800 123.038 121.223 0.026 0.000 2.499 26 L HA 0.278 4.618 4.340 0.000 0.000 0.273 26 L C 1.620 178.479 176.870 -0.018 0.000 1.195 26 L CA 0.026 54.885 54.840 0.031 0.000 0.882 26 L CB 0.599 42.675 42.059 0.028 0.000 1.133 26 L HN 0.181 nan 8.230 nan 0.000 0.483 27 R N 1.893 122.380 120.500 -0.021 0.000 2.310 27 R HA 0.121 4.461 4.340 0.000 0.000 0.199 27 R C -0.781 175.278 176.300 -0.401 0.000 0.891 27 R CA 0.044 56.020 56.100 -0.207 0.000 1.060 27 R CB 0.564 30.743 30.300 -0.202 0.000 1.188 27 R HN 0.490 nan 8.270 nan 0.000 0.607 28 W N 1.503 122.780 121.300 -0.039 0.000 2.475 28 W HA 0.502 5.163 4.660 0.000 0.000 0.320 28 W C -0.836 175.510 176.519 -0.287 0.000 1.022 28 W CA -0.407 56.829 57.345 -0.182 0.000 1.240 28 W CB 1.087 30.433 29.460 -0.189 0.000 1.328 28 W HN -0.166 nan 8.180 nan 0.000 0.439 29 I N 4.659 125.162 120.570 -0.111 0.000 2.390 29 I HA 0.273 4.444 4.170 0.000 0.000 0.283 29 I C -0.607 175.390 176.117 -0.200 0.000 1.016 29 I CA -0.879 60.345 61.300 -0.127 0.000 1.151 29 I CB 0.428 38.386 38.000 -0.071 0.000 1.293 29 I HN 0.136 nan 8.210 nan 0.000 0.458 30 F N 5.407 125.264 119.950 -0.154 0.000 2.418 30 F HA 0.377 4.904 4.527 0.000 0.000 0.341 30 F C 0.442 175.894 175.800 -0.581 0.000 1.120 30 F CA -0.328 57.440 58.000 -0.387 0.000 1.232 30 F CB 1.064 39.645 39.000 -0.698 0.000 1.175 30 F HN 0.026 nan 8.300 nan 0.000 0.569 31 V N 1.910 121.661 119.914 -0.272 0.000 2.525 31 V HA 0.806 4.926 4.120 0.000 0.000 0.299 31 V C 0.007 175.952 176.094 -0.249 0.000 1.034 31 V CA -0.668 61.456 62.300 -0.295 0.000 0.863 31 V CB 1.319 33.085 31.823 -0.094 0.000 0.999 31 V HN 0.945 nan 8.190 nan 0.000 0.423 32 G N 1.963 110.614 108.800 -0.247 0.000 2.672 32 G HA2 0.876 4.836 3.960 0.000 0.000 0.292 32 G HA3 0.876 4.836 3.960 0.000 0.000 0.292 32 G C -0.545 174.425 174.900 0.118 0.000 1.375 32 G CA -0.497 44.641 45.100 0.064 0.000 0.890 32 G HN 1.248 nan 8.290 nan 0.000 0.476 33 G N -0.126 108.728 108.800 0.088 0.000 2.387 33 G HA2 0.441 4.402 3.960 0.000 0.000 0.309 33 G HA3 0.441 4.402 3.960 0.000 0.000 0.309 33 G C -1.456 173.454 174.900 0.016 0.000 1.641 33 G CA -0.797 44.327 45.100 0.040 0.000 0.904 33 G HN 0.554 nan 8.290 nan 0.000 0.661 34 K N 0.593 120.988 120.400 -0.008 0.000 2.159 34 K HA 0.606 4.926 4.320 0.000 0.000 0.266 34 K C 0.841 177.431 176.600 -0.016 0.000 0.975 34 K CA 0.263 56.542 56.287 -0.013 0.000 0.865 34 K CB 1.316 33.798 32.500 -0.029 0.000 1.087 34 K HN 1.929 nan 8.250 nan 0.000 0.446 35 G N 2.238 111.032 108.800 -0.010 0.000 2.270 35 G HA2 -0.139 3.821 3.960 0.000 0.000 0.224 35 G HA3 -0.139 3.821 3.960 0.000 0.000 0.224 35 G C 0.497 175.388 174.900 -0.014 0.000 1.079 35 G CA 0.137 45.230 45.100 -0.011 0.000 0.807 35 G HN 1.185 nan 8.290 nan 0.000 0.492 36 G N -1.933 106.859 108.800 -0.013 0.000 2.273 36 G HA2 -0.010 3.950 3.960 0.000 0.000 0.280 36 G HA3 -0.010 3.950 3.960 0.000 0.000 0.280 36 G C 1.427 176.313 174.900 -0.024 0.000 1.047 36 G CA 1.387 46.476 45.100 -0.018 0.000 0.869 36 G HN 2.268 nan 8.290 nan 0.000 0.502 37 V N -2.988 116.913 119.914 -0.021 0.000 3.623 37 V HA 0.584 4.704 4.120 0.000 0.000 0.271 37 V C 1.747 177.831 176.094 -0.016 0.000 1.248 37 V CA 1.093 63.381 62.300 -0.021 0.000 1.156 37 V CB -0.080 31.731 31.823 -0.021 0.000 0.870 37 V HN 2.276 nan 8.190 nan 0.000 0.453 38 G N 0.689 109.473 108.800 -0.025 0.000 2.173 38 G HA2 -0.234 3.727 3.960 0.000 0.000 0.174 38 G HA3 -0.234 3.727 3.960 0.000 0.000 0.174 38 G C 0.737 175.626 174.900 -0.018 0.000 1.025 38 G CA 0.387 45.462 45.100 -0.041 0.000 0.706 38 G HN 0.524 nan 8.290 nan 0.000 0.499 39 K N -0.167 120.228 120.400 -0.007 0.000 2.009 39 K HA -0.115 4.205 4.320 0.000 0.000 0.210 39 K C 2.363 178.964 176.600 0.001 0.000 1.049 39 K CA 2.167 58.458 56.287 0.007 0.000 0.929 39 K CB -0.445 32.065 32.500 0.017 0.000 0.714 39 K HN 0.306 nan 8.250 nan 0.000 0.440 40 T N 0.614 115.162 114.554 -0.010 0.000 2.684 40 T HA -0.116 4.234 4.350 0.000 0.000 0.267 40 T C 1.809 176.477 174.700 -0.053 0.000 1.036 40 T CA 2.017 64.107 62.100 -0.016 0.000 1.148 40 T CB -0.389 68.471 68.868 -0.014 0.000 0.863 40 T HN 0.395 nan 8.240 nan 0.000 0.436 41 T N 1.656 116.151 114.554 -0.098 0.000 2.759 41 T HA -0.114 4.236 4.350 0.000 0.000 0.269 41 T C 2.199 176.873 174.700 -0.042 0.000 1.042 41 T CA 1.706 63.706 62.100 -0.167 0.000 1.140 41 T CB -0.565 68.102 68.868 -0.335 0.000 0.864 41 T HN 0.455 nan 8.240 nan 0.000 0.455 42 T N 1.426 116.002 114.554 0.036 0.000 2.821 42 T HA -0.042 4.308 4.350 0.000 0.000 0.267 42 T C 2.411 177.142 174.700 0.053 0.000 1.046 42 T CA 1.100 63.266 62.100 0.110 0.000 1.139 42 T CB -0.313 68.611 68.868 0.093 0.000 0.871 42 T HN 0.276 nan 8.240 nan 0.000 0.454 43 S N 0.839 116.550 115.700 0.018 0.000 2.356 43 S HA -0.131 4.340 4.470 0.000 0.000 0.223 43 S C 2.474 177.081 174.600 0.012 0.000 1.032 43 S CA 1.145 59.349 58.200 0.008 0.000 1.005 43 S CB -0.619 62.588 63.200 0.011 0.000 0.867 43 S HN 0.620 nan 8.310 nan 0.000 0.449 44 C N 1.211 120.513 119.300 0.004 0.000 2.453 44 C HA 0.009 4.470 4.460 0.000 0.000 0.277 44 C C 3.051 178.070 174.990 0.048 0.000 1.262 44 C CA 0.589 59.621 59.018 0.024 0.000 1.718 44 C CB -1.462 26.156 27.740 -0.203 0.000 2.031 44 C HN 0.525 nan 8.230 nan 0.000 0.480 45 S N 1.126 116.861 115.700 0.058 0.000 2.370 45 S HA -0.171 4.299 4.470 0.000 0.000 0.226 45 S C 1.738 176.386 174.600 0.081 0.000 1.033 45 S CA 1.416 59.690 58.200 0.123 0.000 1.011 45 S CB -0.492 62.865 63.200 0.261 0.000 0.852 45 S HN 0.536 nan 8.310 nan 0.000 0.457 46 L N 1.729 122.984 121.223 0.053 0.000 2.141 46 L HA 0.093 4.433 4.340 0.000 0.000 0.209 46 L C 2.243 179.111 176.870 -0.002 0.000 1.094 46 L CA 1.633 56.485 54.840 0.020 0.000 0.763 46 L CB -1.100 40.961 42.059 0.002 0.000 0.908 46 L HN 0.225 nan 8.230 nan 0.000 0.437 47 A N -0.121 122.692 122.820 -0.011 0.000 1.855 47 A HA -0.136 4.184 4.320 0.000 0.000 0.215 47 A C 2.257 179.799 177.584 -0.070 0.000 1.191 47 A CA 1.862 53.866 52.037 -0.055 0.000 0.613 47 A CB -0.793 18.167 19.000 -0.067 0.000 0.829 47 A HN 0.454 nan 8.150 nan 0.000 0.442 48 I N -0.774 119.772 120.570 -0.040 0.000 2.151 48 I HA -0.313 3.857 4.170 0.000 0.000 0.243 48 I C 2.740 178.873 176.117 0.026 0.000 1.080 48 I CA 1.965 63.234 61.300 -0.052 0.000 1.339 48 I CB -0.331 37.716 38.000 0.079 0.000 1.039 48 I HN 0.357 nan 8.210 nan 0.000 0.409 49 Q N 0.694 120.521 119.800 0.044 0.000 2.364 49 Q HA -0.064 4.277 4.340 0.000 0.000 0.207 49 Q C 1.991 178.009 176.000 0.029 0.000 0.970 49 Q CA 1.204 57.039 55.803 0.053 0.000 0.888 49 Q CB -0.066 28.703 28.738 0.050 0.000 0.951 49 Q HN 0.513 nan 8.270 nan 0.000 0.469 50 L N -1.117 120.107 121.223 0.002 0.000 2.209 50 L HA 0.061 4.402 4.340 0.000 0.000 0.207 50 L C 2.046 178.910 176.870 -0.009 0.000 1.094 50 L CA 0.713 55.546 54.840 -0.012 0.000 0.790 50 L CB -0.373 41.664 42.059 -0.037 0.000 0.932 50 L HN 0.232 nan 8.230 nan 0.000 0.447 51 A N 0.145 122.956 122.820 -0.015 0.000 2.019 51 A HA -0.200 4.120 4.320 0.000 0.000 0.219 51 A C 2.166 179.776 177.584 0.044 0.000 1.164 51 A CA 1.390 53.429 52.037 0.004 0.000 0.644 51 A CB -0.277 18.717 19.000 -0.010 0.000 0.805 51 A HN 0.338 nan 8.150 nan 0.000 0.449 52 K N -0.822 119.611 120.400 0.055 0.000 2.365 52 K HA 0.064 4.384 4.320 0.000 0.000 0.199 52 K C 1.121 177.746 176.600 0.041 0.000 1.045 52 K CA 1.156 57.480 56.287 0.062 0.000 0.962 52 K CB 0.088 32.632 32.500 0.073 0.000 0.759 52 K HN 0.364 nan 8.250 nan 0.000 0.469 53 V N 0.270 120.201 119.914 0.028 0.000 3.484 53 V HA 0.082 4.202 4.120 0.000 0.000 0.252 53 V C 0.409 176.508 176.094 0.009 0.000 1.282 53 V CA 0.082 62.393 62.300 0.019 0.000 1.104 53 V CB 0.304 32.136 31.823 0.016 0.000 0.868 53 V HN 0.112 nan 8.190 nan 0.000 0.457 54 R N 0.370 120.872 120.500 0.003 0.000 2.720 54 R HA 0.419 4.759 4.340 0.000 0.000 0.272 54 R C 0.979 177.279 176.300 -0.001 0.000 0.991 54 R CA -0.602 55.495 56.100 -0.005 0.000 1.010 54 R CB 1.285 31.574 30.300 -0.019 0.000 1.141 54 R HN 0.033 nan 8.270 nan 0.000 0.494 55 K N 0.692 121.088 120.400 -0.007 0.000 2.009 55 K HA -0.094 4.226 4.320 0.000 0.000 0.210 55 K C 0.059 176.661 176.600 0.003 0.000 1.049 55 K CA 1.621 57.904 56.287 -0.006 0.000 0.929 55 K CB 0.150 32.638 32.500 -0.020 0.000 0.714 55 K HN 0.675 nan 8.250 nan 0.000 0.440 56 S N -0.891 114.816 115.700 0.012 0.000 2.541 56 S HA 0.531 5.001 4.470 0.000 0.000 0.271 56 S C -1.021 173.626 174.600 0.077 0.000 1.133 56 S CA -1.177 57.062 58.200 0.065 0.000 0.876 56 S CB 2.410 65.658 63.200 0.079 0.000 1.105 56 S HN -0.099 nan 8.310 nan 0.000 0.470 57 V N 2.742 122.682 119.914 0.042 0.000 2.483 57 V HA 0.554 4.674 4.120 0.000 0.000 0.297 57 V C -0.956 174.977 176.094 -0.268 0.000 1.027 57 V CA -0.630 61.615 62.300 -0.092 0.000 0.855 57 V CB 1.416 33.167 31.823 -0.119 0.000 0.995 57 V HN 0.912 nan 8.190 nan 0.000 0.424 58 L N 6.004 126.957 121.223 -0.450 0.000 2.295 58 L HA 0.663 5.003 4.340 0.000 0.000 0.285 58 L C -0.795 175.792 176.870 -0.472 0.000 1.035 58 L CA -0.288 54.111 54.840 -0.735 0.000 0.806 58 L CB 1.394 42.812 42.059 -1.068 0.000 1.214 58 L HN 0.613 nan 8.230 nan 0.000 0.426 59 L N 7.345 128.298 121.223 -0.450 0.000 2.313 59 L HA 0.511 4.852 4.340 0.000 0.000 0.273 59 L C -0.398 176.256 176.870 -0.360 0.000 1.028 59 L CA -0.243 54.390 54.840 -0.344 0.000 0.871 59 L CB 0.561 42.438 42.059 -0.304 0.000 1.242 59 L HN 0.618 nan 8.230 nan 0.000 0.434 60 I N 0.622 120.979 120.570 -0.354 0.000 2.428 60 I HA 0.666 4.836 4.170 0.000 0.000 0.296 60 I C -0.331 175.590 176.117 -0.327 0.000 0.985 60 I CA -0.272 60.809 61.300 -0.365 0.000 1.260 60 I CB 1.910 39.648 38.000 -0.436 0.000 1.389 60 I HN 0.557 nan 8.210 nan 0.000 0.484 61 S N 3.210 118.804 115.700 -0.177 0.000 2.605 61 S HA 0.400 4.870 4.470 0.000 0.000 0.308 61 S C 0.375 175.041 174.600 0.109 0.000 1.113 61 S CA -0.483 57.707 58.200 -0.018 0.000 1.049 61 S CB 1.583 64.816 63.200 0.055 0.000 1.001 61 S HN 0.785 nan 8.310 nan 0.000 0.480 62 T N 2.537 117.217 114.554 0.210 0.000 3.081 62 T HA 0.109 4.460 4.350 0.000 0.000 0.250 62 T C 0.208 175.049 174.700 0.235 0.000 1.100 62 T CA 0.073 62.360 62.100 0.313 0.000 1.038 62 T CB -0.194 68.988 68.868 0.523 0.000 0.962 62 T HN 0.634 nan 8.240 nan 0.000 0.516 63 D N 2.595 123.110 120.400 0.192 0.000 2.401 63 D HA 0.039 4.679 4.640 0.000 0.000 0.254 63 D C -1.344 174.944 176.300 -0.021 0.000 1.192 63 D CA -2.015 52.048 54.000 0.105 0.000 0.885 63 D CB 1.533 42.394 40.800 0.101 0.000 1.147 63 D HN 0.101 nan 8.370 nan 0.000 0.478 64 P HA -0.023 nan 4.420 nan 0.000 0.229 64 P C 0.704 177.735 177.300 -0.449 0.000 1.160 64 P CA 0.383 63.297 63.100 -0.311 0.000 0.777 64 P CB 0.284 31.908 31.700 -0.126 0.000 0.814 65 A N -0.574 122.109 122.820 -0.229 0.000 2.119 65 A HA -0.079 4.242 4.320 0.000 0.000 0.216 65 A C 0.580 178.127 177.584 -0.061 0.000 1.152 65 A CA 0.299 52.258 52.037 -0.130 0.000 0.708 65 A CB -1.647 17.331 19.000 -0.037 0.000 0.805 65 A HN 0.289 nan 8.150 nan 0.000 0.460 66 H N -0.797 118.312 119.070 0.064 0.000 2.626 66 H HA -0.148 4.409 4.556 0.000 0.000 0.317 66 H C 0.552 175.931 175.328 0.085 0.000 1.140 66 H CA 0.142 56.239 56.048 0.082 0.000 1.134 66 H CB -1.334 28.479 29.762 0.085 0.000 1.486 66 H HN 0.451 nan 8.280 nan 0.000 0.417 67 N N 0.225 119.015 118.700 0.150 0.000 2.550 67 N HA -0.055 4.685 4.740 0.000 0.000 0.186 67 N C 1.705 177.293 175.510 0.130 0.000 1.110 67 N CA 0.290 53.402 53.050 0.102 0.000 0.912 67 N CB 0.079 38.594 38.487 0.046 0.000 0.968 67 N HN 0.394 nan 8.380 nan 0.000 0.448 68 L N 0.057 121.395 121.223 0.192 0.000 2.191 68 L HA -0.044 4.296 4.340 0.000 0.000 0.212 68 L C 1.958 179.095 176.870 0.444 0.000 1.103 68 L CA 1.298 56.292 54.840 0.257 0.000 0.769 68 L CB -0.581 41.599 42.059 0.202 0.000 0.908 68 L HN 0.034 nan 8.230 nan 0.000 0.438 69 S N -0.762 115.152 115.700 0.356 0.000 2.325 69 S HA -0.115 4.355 4.470 0.000 0.000 0.214 69 S C 1.476 176.155 174.600 0.132 0.000 1.031 69 S CA 0.963 59.300 58.200 0.229 0.000 0.972 69 S CB -0.286 62.975 63.200 0.101 0.000 0.908 69 S HN 0.473 nan 8.310 nan 0.000 0.453 70 D N 2.152 122.606 120.400 0.090 0.000 2.239 70 D HA -0.143 4.497 4.640 0.000 0.000 0.202 70 D C 1.911 178.223 176.300 0.020 0.000 0.993 70 D CA 1.229 55.254 54.000 0.041 0.000 0.874 70 D CB -0.335 40.481 40.800 0.027 0.000 0.922 70 D HN 0.392 nan 8.370 nan 0.000 0.464 71 A N 0.555 123.390 122.820 0.024 0.000 1.841 71 A HA -0.115 4.205 4.320 0.000 0.000 0.214 71 A C 1.782 179.292 177.584 -0.123 0.000 1.195 71 A CA 0.885 52.864 52.037 -0.096 0.000 0.611 71 A CB -0.870 18.030 19.000 -0.166 0.000 0.835 71 A HN 0.144 nan 8.150 nan 0.000 0.443 72 F N 0.331 120.350 119.950 0.115 0.000 2.797 72 F HA 0.313 4.841 4.527 0.000 0.000 0.302 72 F C 1.738 177.561 175.800 0.038 0.000 1.130 72 F CA 0.230 58.303 58.000 0.123 0.000 1.387 72 F CB -0.431 38.722 39.000 0.256 0.000 1.107 72 F HN 0.353 nan 8.300 nan 0.000 0.577 73 G N 1.753 110.634 108.800 0.134 0.000 2.393 73 G HA2 -0.297 3.663 3.960 0.000 0.000 0.299 73 G HA3 -0.297 3.663 3.960 0.000 0.000 0.299 73 G C -0.051 174.840 174.900 -0.015 0.000 0.990 73 G CA 0.666 45.792 45.100 0.044 0.000 1.118 73 G HN 0.484 nan 8.290 nan 0.000 0.513 74 Q N -1.010 118.716 119.800 -0.123 0.000 2.352 74 Q HA 0.405 4.745 4.340 0.000 0.000 0.270 74 Q C -0.705 174.920 176.000 -0.624 0.000 1.006 74 Q CA -0.993 54.606 55.803 -0.340 0.000 0.880 74 Q CB 1.206 29.710 28.738 -0.389 0.000 1.392 74 Q HN 0.242 nan 8.270 nan 0.000 0.401 75 K N 3.245 123.365 120.400 -0.467 0.000 2.297 75 K HA 0.321 4.641 4.320 0.000 0.000 0.286 75 K C -1.342 174.970 176.600 -0.480 0.000 1.053 75 K CA 0.000 56.066 56.287 -0.369 0.000 0.940 75 K CB 0.369 32.767 32.500 -0.171 0.000 1.019 75 K HN 0.319 nan 8.250 nan 0.000 0.475 76 F N 1.190 121.121 119.950 -0.030 0.000 2.507 76 F HA 0.519 5.046 4.527 0.000 0.000 0.327 76 F C 0.989 176.732 175.800 -0.095 0.000 1.068 76 F CA -0.499 57.465 58.000 -0.059 0.000 0.965 76 F CB 1.982 40.948 39.000 -0.057 0.000 1.192 76 F HN 0.633 nan 8.300 nan 0.000 0.476 77 G N 0.761 109.629 108.800 0.114 0.000 3.257 77 G HA2 0.286 4.246 3.960 0.000 0.000 0.205 77 G HA3 0.286 4.246 3.960 0.000 0.000 0.205 77 G C -0.042 174.847 174.900 -0.018 0.000 1.234 77 G CA -0.606 44.497 45.100 0.005 0.000 0.918 77 G HN 0.534 nan 8.290 nan 0.000 0.602 78 K N -0.130 120.257 120.400 -0.022 0.000 2.426 78 K HA 0.144 4.464 4.320 0.000 0.000 0.193 78 K C 0.040 176.627 176.600 -0.021 0.000 1.028 78 K CA 0.386 56.659 56.287 -0.023 0.000 1.047 78 K CB 0.174 32.667 32.500 -0.011 0.000 0.821 78 K HN 0.227 nan 8.250 nan 0.000 0.513 79 E N 0.972 121.169 120.200 -0.006 0.000 2.200 79 E HA 0.159 4.509 4.350 0.000 0.000 0.283 79 E C -0.943 175.658 176.600 0.002 0.000 1.015 79 E CA -0.317 56.083 56.400 0.000 0.000 0.819 79 E CB 1.575 31.282 29.700 0.010 0.000 1.081 79 E HN 0.217 nan 8.360 nan 0.000 0.397 80 A N 5.375 128.188 122.820 -0.012 0.000 2.505 80 A HA 0.081 4.401 4.320 0.000 0.000 0.271 80 A C 0.382 177.977 177.584 0.017 0.000 1.112 80 A CA 0.185 52.201 52.037 -0.035 0.000 0.781 80 A CB -0.050 18.937 19.000 -0.023 0.000 1.059 80 A HN 0.457 nan 8.150 nan 0.000 0.508 81 R N 1.525 122.046 120.500 0.034 0.000 2.691 81 R HA 0.622 4.962 4.340 0.000 0.000 0.259 81 R C -1.047 175.291 176.300 0.064 0.000 1.048 81 R CA -1.048 55.107 56.100 0.093 0.000 1.086 81 R CB 0.832 31.249 30.300 0.196 0.000 1.166 81 R HN 0.535 nan 8.270 nan 0.000 0.526 82 L N 1.428 122.698 121.223 0.079 0.000 2.276 82 L HA 0.187 4.527 4.340 0.000 0.000 0.286 82 L C -0.617 176.300 176.870 0.078 0.000 1.061 82 L CA -0.378 54.493 54.840 0.053 0.000 0.807 82 L CB 1.699 43.791 42.059 0.055 0.000 1.177 82 L HN 0.314 nan 8.230 nan 0.000 0.429 83 V N 5.858 125.771 119.914 -0.001 0.000 2.493 83 V HA -0.048 4.072 4.120 0.000 0.000 0.292 83 V C 1.143 177.292 176.094 0.091 0.000 1.016 83 V CA -0.089 62.188 62.300 -0.037 0.000 1.097 83 V CB 0.250 31.799 31.823 -0.457 0.000 0.947 83 V HN 0.784 nan 8.190 nan 0.000 0.479 84 D N 5.213 125.659 120.400 0.076 0.000 2.160 84 D HA -0.182 4.458 4.640 0.000 0.000 0.189 84 D C 2.033 178.357 176.300 0.040 0.000 1.003 84 D CA 2.139 56.175 54.000 0.058 0.000 0.846 84 D CB -0.289 40.535 40.800 0.040 0.000 0.949 84 D HN 0.785 nan 8.370 nan 0.000 0.446 85 G N -1.577 107.235 108.800 0.020 0.000 3.061 85 G HA2 0.084 4.044 3.960 0.000 0.000 0.208 85 G HA3 0.084 4.044 3.960 0.000 0.000 0.208 85 G C -0.210 174.332 174.900 -0.597 0.000 1.175 85 G CA 0.183 45.113 45.100 -0.284 0.000 0.812 85 G HN 0.226 nan 8.290 nan 0.000 0.523 86 Y N -1.728 118.562 120.300 -0.018 0.000 2.669 86 Y HA 0.444 4.994 4.550 0.000 0.000 0.335 86 Y C 1.088 176.978 175.900 -0.016 0.000 1.116 86 Y CA -0.566 57.524 58.100 -0.017 0.000 1.081 86 Y CB 1.870 40.308 38.460 -0.037 0.000 1.297 86 Y HN 0.009 nan 8.280 nan 0.000 0.484 87 S N -1.300 114.497 115.700 0.162 0.000 2.589 87 S HA 0.030 4.501 4.470 0.000 0.000 0.235 87 S C 0.388 175.035 174.600 0.078 0.000 1.051 87 S CA 0.264 58.514 58.200 0.084 0.000 0.978 87 S CB -0.004 63.225 63.200 0.049 0.000 0.929 87 S HN 0.762 nan 8.310 nan 0.000 0.523 88 N N 0.860 119.616 118.700 0.094 0.000 2.159 88 N HA 0.266 5.006 4.740 0.000 0.000 0.217 88 N C -0.414 175.127 175.510 0.051 0.000 1.223 88 N CA -0.328 52.764 53.050 0.071 0.000 0.896 88 N CB 0.104 38.623 38.487 0.053 0.000 1.064 88 N HN 0.405 nan 8.380 nan 0.000 0.518 89 L N 1.327 122.553 121.223 0.004 0.000 2.287 89 L HA 0.616 4.957 4.340 0.000 0.000 0.287 89 L C -0.797 175.970 176.870 -0.170 0.000 1.022 89 L CA -0.157 54.594 54.840 -0.148 0.000 0.814 89 L CB 1.509 43.348 42.059 -0.366 0.000 1.217 89 L HN 0.004 nan 8.230 nan 0.000 0.420 90 S N 3.258 118.809 115.700 -0.249 0.000 2.568 90 S HA 0.979 5.450 4.470 0.000 0.000 0.293 90 S C -0.941 173.374 174.600 -0.476 0.000 1.089 90 S CA -0.446 57.579 58.200 -0.292 0.000 0.945 90 S CB 1.892 64.978 63.200 -0.191 0.000 1.077 90 S HN 0.905 nan 8.310 nan 0.000 0.485 91 A N 2.306 124.800 122.820 -0.542 0.000 2.486 91 A HA 0.877 5.197 4.320 0.000 0.000 0.300 91 A C -0.813 176.428 177.584 -0.572 0.000 1.048 91 A CA -0.877 50.727 52.037 -0.720 0.000 0.696 91 A CB 1.147 19.413 19.000 -1.224 0.000 1.278 91 A HN 0.896 nan 8.150 nan 0.000 0.405 92 M N 0.125 119.476 119.600 -0.415 0.000 2.550 92 M HA 0.779 5.259 4.480 0.000 0.000 0.292 92 M C -1.228 174.966 176.300 -0.176 0.000 1.221 92 M CA -0.396 54.766 55.300 -0.230 0.000 0.873 92 M CB 2.191 34.687 32.600 -0.173 0.000 1.727 92 M HN 0.482 nan 8.290 nan 0.000 0.459 93 E N 2.726 122.867 120.200 -0.097 0.000 2.145 93 E HA 0.465 4.815 4.350 0.000 0.000 0.262 93 E C -0.916 175.667 176.600 -0.028 0.000 0.883 93 E CA -0.693 55.664 56.400 -0.070 0.000 0.748 93 E CB 1.758 31.344 29.700 -0.191 0.000 1.140 93 E HN 0.526 nan 8.360 nan 0.000 0.417 94 I N 2.249 122.851 120.570 0.053 0.000 2.529 94 I HA 0.150 4.320 4.170 0.000 0.000 0.284 94 I C 0.284 176.511 176.117 0.184 0.000 1.082 94 I CA -0.115 61.252 61.300 0.111 0.000 1.406 94 I CB 0.342 38.455 38.000 0.187 0.000 1.405 94 I HN 0.390 nan 8.210 nan 0.000 0.548 95 D N 7.553 128.045 120.400 0.154 0.000 2.175 95 D HA 0.281 4.921 4.640 0.000 0.000 0.248 95 D C -1.518 174.888 176.300 0.177 0.000 1.047 95 D CA -1.353 52.748 54.000 0.169 0.000 0.883 95 D CB 2.024 42.893 40.800 0.115 0.000 1.180 95 D HN 0.261 nan 8.370 nan 0.000 0.438 96 P HA -0.080 nan 4.420 nan 0.000 0.215 96 P C -0.372 177.000 177.300 0.120 0.000 1.157 96 P CA 0.755 63.953 63.100 0.165 0.000 0.863 96 P CB 0.190 31.960 31.700 0.117 0.000 0.787 97 N N -2.702 116.048 118.700 0.084 0.000 2.780 97 N HA -0.120 4.620 4.740 0.000 0.000 0.248 97 N C 0.304 175.838 175.510 0.041 0.000 1.102 97 N CA -0.120 52.964 53.050 0.056 0.000 0.697 97 N CB -1.478 37.040 38.487 0.053 0.000 1.028 97 N HN 0.233 nan 8.380 nan 0.000 0.554 98 G N 0.337 109.162 108.800 0.041 0.000 2.441 98 G HA2 0.370 4.330 3.960 0.000 0.000 0.243 98 G HA3 0.370 4.330 3.960 0.000 0.000 0.243 98 G C 0.432 175.346 174.900 0.024 0.000 1.281 98 G CA 0.292 45.412 45.100 0.034 0.000 0.854 98 G HN 0.308 nan 8.290 nan 0.000 0.560 99 S N 1.506 117.221 115.700 0.026 0.000 2.745 99 S HA 0.409 4.879 4.470 0.000 0.000 0.292 99 S C 1.482 176.097 174.600 0.025 0.000 1.133 99 S CA -0.942 57.272 58.200 0.022 0.000 0.998 99 S CB 1.509 64.721 63.200 0.021 0.000 1.087 99 S HN 0.409 nan 8.310 nan 0.000 0.551 100 I N 0.678 121.261 120.570 0.022 0.000 2.286 100 I HA -0.183 3.987 4.170 0.000 0.000 0.248 100 I C 2.786 178.923 176.117 0.033 0.000 1.115 100 I CA 1.096 62.411 61.300 0.025 0.000 1.392 100 I CB -0.412 37.600 38.000 0.021 0.000 1.065 100 I HN 0.637 nan 8.210 nan 0.000 0.418 101 Q N 0.692 120.510 119.800 0.030 0.000 2.050 101 Q HA -0.229 4.111 4.340 0.000 0.000 0.202 101 Q C 1.839 177.864 176.000 0.042 0.000 0.980 101 Q CA 1.742 57.564 55.803 0.033 0.000 0.840 101 Q CB -0.418 28.336 28.738 0.027 0.000 0.898 101 Q HN 0.458 nan 8.270 nan 0.000 0.424 102 D N 0.478 120.904 120.400 0.043 0.000 2.157 102 D HA -0.189 4.451 4.640 0.000 0.000 0.191 102 D C 1.872 178.217 176.300 0.076 0.000 1.004 102 D CA 0.877 54.910 54.000 0.056 0.000 0.854 102 D CB -0.233 40.599 40.800 0.053 0.000 0.936 102 D HN 0.090 nan 8.370 nan 0.000 0.446 103 L N 0.189 121.459 121.223 0.078 0.000 2.056 103 L HA -0.020 4.320 4.340 0.000 0.000 0.207 103 L C 2.066 179.003 176.870 0.111 0.000 1.078 103 L CA 1.305 56.215 54.840 0.116 0.000 0.749 103 L CB -0.479 41.633 42.059 0.088 0.000 0.901 103 L HN 0.084 nan 8.230 nan 0.000 0.433 104 L N -0.751 120.517 121.223 0.074 0.000 2.362 104 L HA -0.105 4.235 4.340 0.000 0.000 0.219 104 L C 2.297 179.197 176.870 0.049 0.000 1.134 104 L CA 0.786 55.662 54.840 0.059 0.000 0.807 104 L CB -0.682 41.403 42.059 0.043 0.000 0.927 104 L HN 0.343 nan 8.230 nan 0.000 0.447 105 A N -0.702 122.149 122.820 0.053 0.000 2.178 105 A HA 0.043 4.363 4.320 0.000 0.000 0.211 105 A C 1.507 179.113 177.584 0.036 0.000 1.157 105 A CA 0.538 52.599 52.037 0.041 0.000 0.780 105 A CB -0.165 18.861 19.000 0.043 0.000 0.828 105 A HN 0.425 nan 8.150 nan 0.000 0.476 126 D N 0.290 120.711 120.400 0.036 0.000 2.350 126 D HA 0.010 4.650 4.640 0.000 0.000 0.213 126 D C 0.903 177.263 176.300 0.100 0.000 1.031 126 D CA 0.107 54.164 54.000 0.095 0.000 0.861 126 D CB 0.184 41.042 40.800 0.097 0.000 0.926 126 D HN 0.068 nan 8.370 nan 0.000 0.520 127 L N 0.591 121.831 121.223 0.028 0.000 2.747 127 L HA 0.346 4.686 4.340 0.000 0.000 0.248 127 L C 1.742 178.599 176.870 -0.022 0.000 1.191 127 L CA -0.038 54.814 54.840 0.020 0.000 1.003 127 L CB -0.916 41.135 42.059 -0.013 0.000 1.235 127 L HN 0.175 nan 8.230 nan 0.000 0.426 128 A N -1.704 121.060 122.820 -0.094 0.000 2.044 128 A HA 0.116 4.436 4.320 0.000 0.000 0.213 128 A C 1.226 178.553 177.584 -0.429 0.000 1.169 128 A CA 0.434 52.281 52.037 -0.316 0.000 0.724 128 A CB -0.208 18.486 19.000 -0.509 0.000 0.840 128 A HN 0.289 nan 8.150 nan 0.000 0.463 129 F N 0.454 120.442 119.950 0.063 0.000 2.850 129 F HA 0.163 4.691 4.527 0.000 0.000 0.306 129 F C 1.905 177.740 175.800 0.058 0.000 1.162 129 F CA 0.278 58.302 58.000 0.040 0.000 1.327 129 F CB 0.244 39.248 39.000 0.007 0.000 0.953 129 F HN 0.232 nan 8.300 nan 0.000 0.507 130 S N -0.614 115.206 115.700 0.200 0.000 2.458 130 S HA 0.122 4.592 4.470 0.000 0.000 0.223 130 S C 0.708 175.382 174.600 0.124 0.000 1.019 130 S CA 0.197 58.526 58.200 0.215 0.000 0.937 130 S CB -0.043 63.239 63.200 0.137 0.000 0.788 130 S HN 0.061 nan 8.310 nan 0.000 0.511 131 I N 3.745 124.369 120.570 0.089 0.000 2.325 131 I HA 0.436 4.606 4.170 0.000 0.000 0.291 131 I C -2.604 173.577 176.117 0.106 0.000 1.019 131 I CA -2.639 58.708 61.300 0.078 0.000 1.302 131 I CB -0.044 37.991 38.000 0.058 0.000 1.401 131 I HN 0.039 nan 8.210 nan 0.000 0.485 132 P HA 0.219 nan 4.420 nan 0.000 0.272 132 P C 0.314 177.714 177.300 0.168 0.000 1.223 132 P CA -0.158 63.068 63.100 0.211 0.000 0.784 132 P CB 0.685 32.656 31.700 0.451 0.000 0.923 133 G N 0.069 108.949 108.800 0.133 0.000 2.528 133 G HA2 0.269 4.229 3.960 0.000 0.000 0.289 133 G HA3 0.269 4.229 3.960 0.000 0.000 0.289 133 G C 0.995 175.930 174.900 0.058 0.000 1.192 133 G CA -0.650 44.502 45.100 0.086 0.000 0.921 133 G HN 0.295 nan 8.290 nan 0.000 0.512 134 V N 0.265 120.202 119.914 0.039 0.000 2.515 134 V HA -0.102 4.019 4.120 0.000 0.000 0.250 134 V C 2.317 178.401 176.094 -0.017 0.000 1.058 134 V CA 1.892 64.201 62.300 0.016 0.000 1.064 134 V CB -0.308 31.528 31.823 0.022 0.000 0.675 134 V HN 0.617 nan 8.190 nan 0.000 0.461 135 D N -0.431 119.965 120.400 -0.006 0.000 2.149 135 D HA -0.145 4.495 4.640 0.000 0.000 0.201 135 D C 2.176 178.451 176.300 -0.042 0.000 0.972 135 D CA 1.231 55.222 54.000 -0.015 0.000 0.835 135 D CB 0.075 40.878 40.800 0.005 0.000 0.966 135 D HN 0.593 nan 8.370 nan 0.000 0.476 136 E N 0.568 120.741 120.200 -0.046 0.000 2.072 136 E HA -0.102 4.248 4.350 0.000 0.000 0.190 136 E C 1.992 178.392 176.600 -0.334 0.000 0.982 136 E CA 0.848 57.201 56.400 -0.078 0.000 0.803 136 E CB 0.073 29.788 29.700 0.025 0.000 0.755 136 E HN 0.104 nan 8.360 nan 0.000 0.453 137 A N 1.042 123.573 122.820 -0.481 0.000 1.902 137 A HA -0.196 4.124 4.320 0.000 0.000 0.217 137 A C 2.223 179.548 177.584 -0.432 0.000 1.181 137 A CA 1.668 53.152 52.037 -0.921 0.000 0.623 137 A CB -0.549 18.231 19.000 -0.368 0.000 0.818 137 A HN 0.339 nan 8.150 nan 0.000 0.443 138 M N -0.999 118.484 119.600 -0.195 0.000 2.086 138 M HA -0.149 4.331 4.480 0.000 0.000 0.261 138 M C 2.574 178.833 176.300 -0.069 0.000 1.067 138 M CA 1.799 57.044 55.300 -0.091 0.000 1.116 138 M CB -0.222 32.349 32.600 -0.049 0.000 1.348 138 M HN 0.533 nan 8.290 nan 0.000 0.407 139 S N -0.145 115.518 115.700 -0.063 0.000 2.370 139 S HA -0.205 4.265 4.470 0.000 0.000 0.226 139 S C 1.727 176.336 174.600 0.017 0.000 1.033 139 S CA 1.442 59.633 58.200 -0.014 0.000 1.011 139 S CB -0.401 62.806 63.200 0.012 0.000 0.852 139 S HN 0.477 nan 8.310 nan 0.000 0.457 140 F N 2.184 122.046 119.950 -0.147 0.000 2.134 140 F HA 0.040 4.567 4.527 0.000 0.000 0.299 140 F C 2.354 178.146 175.800 -0.014 0.000 1.097 140 F CA 1.190 59.160 58.000 -0.050 0.000 1.264 140 F CB -0.892 38.081 39.000 -0.046 0.000 1.001 140 F HN 0.270 nan 8.300 nan 0.000 0.479 141 A N -0.004 122.835 122.820 0.032 0.000 1.940 141 A HA -0.205 4.116 4.320 0.000 0.000 0.219 141 A C 2.153 179.695 177.584 -0.071 0.000 1.176 141 A CA 1.877 53.907 52.037 -0.011 0.000 0.631 141 A CB -0.741 18.267 19.000 0.014 0.000 0.814 141 A HN 0.442 nan 8.150 nan 0.000 0.446 142 E N -0.283 119.878 120.200 -0.064 0.000 2.150 142 E HA -0.097 4.253 4.350 0.000 0.000 0.193 142 E C 2.149 178.697 176.600 -0.086 0.000 0.985 142 E CA 1.242 57.608 56.400 -0.058 0.000 0.814 142 E CB -0.347 29.331 29.700 -0.038 0.000 0.752 142 E HN 0.443 nan 8.360 nan 0.000 0.466 143 V N 1.285 121.111 119.914 -0.147 0.000 2.407 143 V HA -0.176 3.944 4.120 0.000 0.000 0.245 143 V C 2.492 178.468 176.094 -0.197 0.000 1.041 143 V CA 0.960 63.153 62.300 -0.178 0.000 1.040 143 V CB -0.404 31.279 31.823 -0.233 0.000 0.671 143 V HN 0.183 nan 8.190 nan 0.000 0.455 144 L N -0.260 120.794 121.223 -0.283 0.000 2.079 144 L HA -0.224 4.117 4.340 0.000 0.000 0.210 144 L C 2.583 179.430 176.870 -0.037 0.000 1.081 144 L CA 1.708 56.464 54.840 -0.141 0.000 0.752 144 L CB -0.531 41.441 42.059 -0.146 0.000 0.896 144 L HN 0.304 nan 8.230 nan 0.000 0.433 145 K N -0.230 120.139 120.400 -0.051 0.000 1.991 145 K HA -0.248 4.072 4.320 0.000 0.000 0.212 145 K C 2.163 178.753 176.600 -0.016 0.000 1.049 145 K CA 1.709 57.983 56.287 -0.022 0.000 0.932 145 K CB -0.105 32.379 32.500 -0.026 0.000 0.717 145 K HN 0.291 nan 8.250 nan 0.000 0.441 146 Q N 0.023 119.805 119.800 -0.029 0.000 2.047 146 Q HA -0.231 4.109 4.340 0.000 0.000 0.211 146 Q C 2.080 178.078 176.000 -0.003 0.000 1.005 146 Q CA 2.275 58.066 55.803 -0.020 0.000 0.866 146 Q CB -0.316 28.405 28.738 -0.029 0.000 0.938 146 Q HN 0.175 nan 8.270 nan 0.000 0.414 147 V N 1.133 121.044 119.914 -0.004 0.000 2.453 147 V HA -0.297 3.823 4.120 0.000 0.000 0.252 147 V C 2.250 178.366 176.094 0.037 0.000 1.068 147 V CA 1.925 64.239 62.300 0.023 0.000 1.070 147 V CB -0.524 31.305 31.823 0.009 0.000 0.664 147 V HN 0.338 nan 8.190 nan 0.000 0.461 148 K N -0.349 120.069 120.400 0.031 0.000 2.097 148 K HA -0.130 4.190 4.320 0.000 0.000 0.205 148 K C 2.394 178.993 176.600 -0.002 0.000 1.050 148 K CA 1.440 57.741 56.287 0.024 0.000 0.938 148 K CB -0.116 32.407 32.500 0.039 0.000 0.718 148 K HN 0.450 nan 8.250 nan 0.000 0.442 149 S N 1.403 117.099 115.700 -0.006 0.000 2.382 149 S HA -0.087 4.384 4.470 0.000 0.000 0.228 149 S C 1.740 176.311 174.600 -0.048 0.000 1.027 149 S CA 0.942 59.127 58.200 -0.024 0.000 0.991 149 S CB -0.137 63.050 63.200 -0.020 0.000 0.823 149 S HN 0.278 nan 8.310 nan 0.000 0.469 150 L N 1.281 122.481 121.223 -0.038 0.000 2.275 150 L HA -0.004 4.336 4.340 0.000 0.000 0.215 150 L C 0.638 177.368 176.870 -0.234 0.000 1.119 150 L CA 0.297 55.069 54.840 -0.113 0.000 0.790 150 L CB -0.625 41.447 42.059 0.022 0.000 0.919 150 L HN 0.161 nan 8.230 nan 0.000 0.443 151 S N -0.842 114.782 115.700 -0.127 0.000 3.608 151 S HA -0.214 4.256 4.470 0.000 0.000 0.382 151 S C -0.185 174.293 174.600 -0.203 0.000 0.945 151 S CA 0.245 58.364 58.200 -0.136 0.000 1.256 151 S CB -1.630 61.492 63.200 -0.131 0.000 0.913 151 S HN 0.253 nan 8.310 nan 0.000 0.518 152 Y N 0.700 120.923 120.300 -0.129 0.000 2.319 152 Y HA 0.275 4.825 4.550 0.000 0.000 0.328 152 Y C 1.596 177.395 175.900 -0.168 0.000 1.133 152 Y CA -0.181 57.830 58.100 -0.148 0.000 1.265 152 Y CB 0.585 38.937 38.460 -0.179 0.000 1.218 152 Y HN 0.383 nan 8.280 nan 0.000 0.508 153 E N 1.817 122.027 120.200 0.017 0.000 2.038 153 E HA -0.109 4.241 4.350 0.000 0.000 0.195 153 E C -0.455 176.086 176.600 -0.098 0.000 1.000 153 E CA 1.293 57.665 56.400 -0.046 0.000 0.803 153 E CB 0.162 29.843 29.700 -0.032 0.000 0.750 153 E HN 0.342 nan 8.360 nan 0.000 0.448 154 V N -0.304 119.541 119.914 -0.115 0.000 3.049 154 V HA 0.437 4.557 4.120 0.000 0.000 0.309 154 V C -1.406 174.527 176.094 -0.269 0.000 1.148 154 V CA -0.895 61.284 62.300 -0.202 0.000 0.990 154 V CB 1.907 33.648 31.823 -0.136 0.000 1.039 154 V HN 0.149 nan 8.190 nan 0.000 0.430 155 I N 5.141 125.482 120.570 -0.382 0.000 2.418 155 I HA 0.432 4.602 4.170 0.000 0.000 0.287 155 I C -0.663 175.325 176.117 -0.215 0.000 1.008 155 I CA -0.888 60.184 61.300 -0.379 0.000 1.104 155 I CB 2.003 39.634 38.000 -0.615 0.000 1.264 155 I HN 0.270 nan 8.210 nan 0.000 0.438 156 V N 6.790 126.597 119.914 -0.178 0.000 2.406 156 V HA 0.197 4.317 4.120 0.000 0.000 0.272 156 V C -0.375 175.687 176.094 -0.052 0.000 1.043 156 V CA -0.232 62.008 62.300 -0.101 0.000 0.915 156 V CB 1.130 32.893 31.823 -0.099 0.000 0.988 156 V HN 0.462 nan 8.190 nan 0.000 0.466 157 F N 3.913 123.790 119.950 -0.123 0.000 2.303 157 F HA 0.348 4.876 4.527 0.000 0.000 0.368 157 F C 0.541 176.370 175.800 0.048 0.000 1.105 157 F CA -0.763 57.223 58.000 -0.024 0.000 1.153 157 F CB 0.778 39.710 39.000 -0.114 0.000 1.362 157 F HN 0.554 nan 8.300 nan 0.000 0.511 158 D N 4.671 125.177 120.400 0.177 0.000 2.416 158 D HA 0.038 4.678 4.640 0.000 0.000 0.240 158 D C 0.430 176.925 176.300 0.324 0.000 1.250 158 D CA 0.076 54.183 54.000 0.179 0.000 0.967 158 D CB 0.450 41.292 40.800 0.070 0.000 1.059 158 D HN 0.497 nan 8.370 nan 0.000 0.512 159 T N 0.531 115.311 114.554 0.377 0.000 2.802 159 T HA 0.451 4.801 4.350 0.000 0.000 0.305 159 T C 0.452 175.297 174.700 0.242 0.000 1.053 159 T CA -0.874 61.465 62.100 0.399 0.000 1.058 159 T CB 1.205 70.254 68.868 0.303 0.000 0.988 159 T HN 0.334 nan 8.240 nan 0.000 0.539 160 A N 2.744 125.692 122.820 0.215 0.000 2.309 160 A HA 0.537 4.858 4.320 0.000 0.000 0.290 160 A C -1.878 175.756 177.584 0.083 0.000 1.206 160 A CA -1.835 50.282 52.037 0.133 0.000 0.850 160 A CB -0.031 19.046 19.000 0.128 0.000 1.118 160 A HN 0.712 nan 8.150 nan 0.000 0.523 161 P HA 0.055 nan 4.420 nan 0.000 0.258 161 P C 0.577 177.888 177.300 0.019 0.000 1.559 161 P CA 0.487 63.608 63.100 0.035 0.000 0.855 161 P CB -0.247 31.469 31.700 0.027 0.000 1.594 162 T N -4.815 109.756 114.554 0.028 0.000 2.906 162 T HA 0.417 4.768 4.350 0.000 0.000 0.283 162 T C 1.684 176.357 174.700 -0.044 0.000 1.098 162 T CA -0.010 62.107 62.100 0.027 0.000 0.960 162 T CB -0.088 68.847 68.868 0.113 0.000 1.776 162 T HN -0.046 nan 8.240 nan 0.000 0.594 163 G N -1.165 107.565 108.800 -0.117 0.000 2.650 163 G HA2 0.035 3.995 3.960 0.000 0.000 0.214 163 G HA3 0.035 3.995 3.960 0.000 0.000 0.214 163 G C 0.855 175.442 174.900 -0.522 0.000 1.136 163 G CA 0.019 44.908 45.100 -0.352 0.000 0.789 163 G HN 0.868 nan 8.290 nan 0.000 0.536 164 H N 0.267 119.291 119.070 -0.078 0.000 2.481 164 H HA 0.175 4.731 4.556 0.000 0.000 0.273 164 H C 1.403 176.611 175.328 -0.200 0.000 1.145 164 H CA 0.153 56.123 56.048 -0.129 0.000 0.964 164 H CB 0.106 29.816 29.762 -0.086 0.000 1.722 164 H HN 0.095 nan 8.280 nan 0.000 0.573 165 T N 0.908 115.381 114.554 -0.134 0.000 2.653 165 T HA -0.133 4.217 4.350 0.000 0.000 0.268 165 T C 1.635 176.054 174.700 -0.470 0.000 1.035 165 T CA 1.061 63.057 62.100 -0.173 0.000 1.154 165 T CB 0.061 68.852 68.868 -0.128 0.000 0.862 165 T HN 0.347 nan 8.240 nan 0.000 0.441 166 L N 1.169 122.022 121.223 -0.617 0.000 2.984 166 L HA 0.359 4.699 4.340 0.000 0.000 0.246 166 L C 2.100 178.342 176.870 -1.047 0.000 1.268 166 L CA -0.267 53.925 54.840 -1.079 0.000 1.054 166 L CB -0.122 41.420 42.059 -0.861 0.000 1.393 166 L HN 0.145 nan 8.230 nan 0.000 0.532 167 R N 1.437 121.459 120.500 -0.797 0.000 2.115 167 R HA -0.175 4.165 4.340 0.000 0.000 0.230 167 R C 1.953 177.723 176.300 -0.883 0.000 1.111 167 R CA 1.721 57.476 56.100 -0.575 0.000 0.976 167 R CB -0.250 29.885 30.300 -0.276 0.000 0.870 167 R HN 0.427 nan 8.270 nan 0.000 0.445 168 F N -0.064 119.364 119.950 -0.870 0.000 2.641 168 F HA 0.109 4.636 4.527 0.000 0.000 0.298 168 F C 1.204 176.429 175.800 -0.958 0.000 1.146 168 F CA 0.138 57.269 58.000 -1.449 0.000 1.464 168 F CB -0.494 37.920 39.000 -0.977 0.000 1.101 168 F HN -0.060 nan 8.300 nan 0.000 0.585 169 L N 0.059 120.922 121.223 -0.599 0.000 2.591 169 L HA 0.077 4.417 4.340 0.000 0.000 0.228 169 L C 1.647 178.416 176.870 -0.169 0.000 1.133 169 L CA 0.420 55.046 54.840 -0.357 0.000 0.880 169 L CB -0.467 41.031 42.059 -0.935 0.000 1.033 169 L HN 0.269 nan 8.230 nan 0.000 0.450 170 Q N -1.315 118.341 119.800 -0.240 0.000 2.356 170 Q HA 0.056 4.396 4.340 0.000 0.000 0.205 170 Q C 1.546 177.621 176.000 0.125 0.000 0.901 170 Q CA 0.128 55.918 55.803 -0.020 0.000 0.938 170 Q CB 0.284 29.009 28.738 -0.021 0.000 1.081 170 Q HN 0.319 nan 8.270 nan 0.000 0.517 171 F N 1.346 121.326 119.950 0.050 0.000 2.171 171 F HA -0.053 4.474 4.527 0.000 0.000 0.300 171 F C -0.613 175.227 175.800 0.067 0.000 1.090 171 F CA 0.169 58.208 58.000 0.065 0.000 1.293 171 F CB -1.862 37.191 39.000 0.089 0.000 1.013 171 F HN 0.089 nan 8.300 nan 0.000 0.486 172 P HA -0.118 nan 4.420 nan 0.000 0.215 172 P C 1.787 179.159 177.300 0.121 0.000 1.157 172 P CA 2.672 65.860 63.100 0.148 0.000 0.863 172 P CB -0.428 31.337 31.700 0.109 0.000 0.787 173 T N -3.217 111.408 114.554 0.118 0.000 2.915 173 T HA -0.063 4.287 4.350 0.000 0.000 0.269 173 T C 1.834 176.592 174.700 0.095 0.000 1.071 173 T CA 0.894 63.049 62.100 0.091 0.000 1.132 173 T CB -1.433 67.482 68.868 0.078 0.000 0.878 173 T HN -0.138 nan 8.240 nan 0.000 0.479 174 V N 1.242 121.236 119.914 0.132 0.000 2.379 174 V HA 0.033 4.153 4.120 0.000 0.000 0.245 174 V C 2.656 178.806 176.094 0.092 0.000 1.044 174 V CA 1.265 63.640 62.300 0.125 0.000 1.036 174 V CB -0.562 31.372 31.823 0.185 0.000 0.664 174 V HN 0.455 nan 8.190 nan 0.000 0.453 175 L N -0.657 120.623 121.223 0.095 0.000 2.179 175 L HA -0.093 4.247 4.340 0.000 0.000 0.208 175 L C 2.498 179.399 176.870 0.052 0.000 1.096 175 L CA 1.242 56.120 54.840 0.063 0.000 0.779 175 L CB -0.444 41.652 42.059 0.062 0.000 0.922 175 L HN 0.359 nan 8.230 nan 0.000 0.443 176 E N 0.333 120.567 120.200 0.057 0.000 2.077 176 E HA -0.218 4.133 4.350 0.000 0.000 0.193 176 E C 2.134 178.757 176.600 0.039 0.000 0.989 176 E CA 1.096 57.523 56.400 0.045 0.000 0.800 176 E CB 0.097 29.824 29.700 0.046 0.000 0.746 176 E HN 0.356 nan 8.360 nan 0.000 0.452 177 K N 0.207 120.633 120.400 0.044 0.000 2.147 177 K HA -0.105 4.215 4.320 0.000 0.000 0.205 177 K C 2.082 178.703 176.600 0.034 0.000 1.049 177 K CA 0.992 57.302 56.287 0.038 0.000 0.936 177 K CB -0.039 32.485 32.500 0.041 0.000 0.722 177 K HN 0.052 nan 8.250 nan 0.000 0.446 178 A N 1.217 124.059 122.820 0.037 0.000 1.897 178 A HA -0.102 4.218 4.320 0.000 0.000 0.215 178 A C 2.043 179.643 177.584 0.027 0.000 1.181 178 A CA 0.829 52.885 52.037 0.031 0.000 0.620 178 A CB -0.410 18.608 19.000 0.030 0.000 0.821 178 A HN 0.227 nan 8.150 nan 0.000 0.443 179 L N -0.378 120.862 121.223 0.028 0.000 2.191 179 L HA -0.038 4.303 4.340 0.000 0.000 0.212 179 L C 2.481 179.365 176.870 0.023 0.000 1.103 179 L CA 1.890 56.745 54.840 0.024 0.000 0.769 179 L CB -0.476 41.597 42.059 0.024 0.000 0.908 179 L HN 0.342 nan 8.230 nan 0.000 0.438 180 A N -0.393 122.442 122.820 0.025 0.000 1.855 180 A HA -0.160 4.160 4.320 0.000 0.000 0.213 180 A C 2.295 179.893 177.584 0.023 0.000 1.195 180 A CA 1.374 53.425 52.037 0.023 0.000 0.610 180 A CB -0.573 18.441 19.000 0.023 0.000 0.837 180 A HN 0.373 nan 8.150 nan 0.000 0.444 181 K N -0.591 119.823 120.400 0.024 0.000 2.280 181 K HA -0.049 4.271 4.320 0.000 0.000 0.202 181 K C 1.476 178.092 176.600 0.026 0.000 1.047 181 K CA 1.137 57.439 56.287 0.024 0.000 0.942 181 K CB -0.367 32.148 32.500 0.024 0.000 0.739 181 K HN 0.321 nan 8.250 nan 0.000 0.457 182 L N -0.410 120.829 121.223 0.026 0.000 2.202 182 L HA 0.124 4.464 4.340 0.000 0.000 0.205 182 L C 2.227 179.114 176.870 0.030 0.000 1.083 182 L CA 1.340 56.197 54.840 0.028 0.000 0.790 182 L CB -0.644 41.429 42.059 0.024 0.000 0.942 182 L HN 0.234 nan 8.230 nan 0.000 0.452 183 S N -1.192 114.523 115.700 0.026 0.000 2.387 183 S HA -0.212 4.258 4.470 0.000 0.000 0.226 183 S C 1.938 176.556 174.600 0.030 0.000 1.026 183 S CA 1.100 59.316 58.200 0.026 0.000 0.972 183 S CB -0.238 62.975 63.200 0.021 0.000 0.814 183 S HN 0.567 nan 8.310 nan 0.000 0.477 184 Q N 0.027 119.843 119.800 0.027 0.000 2.368 184 Q HA -0.073 4.267 4.340 0.000 0.000 0.210 184 Q C 1.628 177.647 176.000 0.033 0.000 0.982 184 Q CA 1.052 56.872 55.803 0.027 0.000 0.884 184 Q CB -0.081 28.671 28.738 0.023 0.000 0.933 184 Q HN 0.553 nan 8.270 nan 0.000 0.460 185 L N -0.568 120.679 121.223 0.040 0.000 2.477 185 L HA 0.042 4.382 4.340 0.000 0.000 0.220 185 L C 2.311 179.228 176.870 0.078 0.000 1.106 185 L CA 0.173 55.045 54.840 0.052 0.000 0.851 185 L CB 0.020 42.111 42.059 0.052 0.000 0.994 185 L HN 0.090 nan 8.230 nan 0.000 0.462 186 S N -0.510 115.230 115.700 0.067 0.000 2.447 186 S HA -0.118 4.352 4.470 0.000 0.000 0.233 186 S C 2.031 176.689 174.600 0.096 0.000 1.006 186 S CA 1.320 59.568 58.200 0.079 0.000 0.957 186 S CB 0.028 63.254 63.200 0.044 0.000 0.773 186 S HN 0.404 nan 8.310 nan 0.000 0.507 187 S N 0.809 116.552 115.700 0.072 0.000 2.489 187 S HA 0.093 4.564 4.470 0.000 0.000 0.228 187 S C 0.864 175.507 174.600 0.071 0.000 0.995 187 S CA 0.370 58.608 58.200 0.065 0.000 0.934 187 S CB -0.130 63.094 63.200 0.041 0.000 0.771 187 S HN 0.430 nan 8.310 nan 0.000 0.522 188 Q N 0.492 120.339 119.800 0.078 0.000 3.170 188 Q HA 0.581 4.921 4.340 0.000 0.000 0.346 188 Q C -0.775 175.271 176.000 0.076 0.000 1.333 188 Q CA 0.069 55.896 55.803 0.041 0.000 0.958 188 Q CB -0.520 28.225 28.738 0.012 0.000 1.600 188 Q HN 0.439 nan 8.270 nan 0.000 0.482 196 I N 1.747 122.340 120.570 0.038 0.000 2.500 196 I HA 0.025 4.195 4.170 0.000 0.000 0.252 196 I C 1.989 178.122 176.117 0.028 0.000 1.142 196 I CA 0.880 62.196 61.300 0.027 0.000 1.451 196 I CB -0.536 37.476 38.000 0.019 0.000 1.093 196 I HN 0.616 nan 8.210 nan 0.000 0.430 197 L N 0.405 121.649 121.223 0.034 0.000 2.376 197 L HA -0.020 4.320 4.340 0.000 0.000 0.219 197 L C 1.635 178.527 176.870 0.035 0.000 1.133 197 L CA 0.648 55.508 54.840 0.032 0.000 0.816 197 L CB -0.695 41.384 42.059 0.033 0.000 0.933 197 L HN 0.423 nan 8.230 nan 0.000 0.449 198 G N 0.016 108.840 108.800 0.041 0.000 2.614 198 G HA2 -0.471 3.489 3.960 0.000 0.000 0.303 198 G HA3 -0.471 3.489 3.960 0.000 0.000 0.303 198 G C 0.987 175.911 174.900 0.040 0.000 1.270 198 G CA 0.583 45.705 45.100 0.035 0.000 0.988 198 G HN 0.376 nan 8.290 nan 0.000 0.551 199 A N -0.533 122.305 122.820 0.029 0.000 1.986 199 A HA -0.095 4.225 4.320 0.000 0.000 0.220 199 A C 2.347 179.953 177.584 0.036 0.000 1.171 199 A CA 2.409 54.463 52.037 0.029 0.000 0.640 199 A CB -0.371 18.641 19.000 0.019 0.000 0.811 199 A HN 0.686 nan 8.150 nan 0.000 0.451 200 R N -0.946 119.575 120.500 0.034 0.000 2.313 200 R HA 0.061 4.401 4.340 0.000 0.000 0.199 200 R C 1.532 177.859 176.300 0.045 0.000 0.958 200 R CA 0.448 56.568 56.100 0.033 0.000 1.047 200 R CB -0.071 30.242 30.300 0.023 0.000 0.955 200 R HN 0.449 nan 8.270 nan 0.000 0.481 201 G N 0.096 108.935 108.800 0.066 0.000 3.337 201 G HA2 0.148 4.108 3.960 0.000 0.000 0.246 201 G HA3 0.148 4.108 3.960 0.000 0.000 0.246 201 G C 0.366 175.372 174.900 0.177 0.000 1.131 201 G CA -0.142 45.014 45.100 0.093 0.000 0.773 201 G HN 0.267 nan 8.290 nan 0.000 0.544 202 G N -0.274 108.621 108.800 0.159 0.000 2.531 202 G HA2 0.524 4.484 3.960 0.000 0.000 0.313 202 G HA3 0.524 4.484 3.960 0.000 0.000 0.313 202 G C -0.082 174.925 174.900 0.179 0.000 1.238 202 G CA -0.973 44.265 45.100 0.229 0.000 0.994 202 G HN 0.208 nan 8.290 nan 0.000 0.493 203 L N 1.160 122.510 121.223 0.213 0.000 2.514 203 L HA 0.160 4.500 4.340 0.000 0.000 0.280 203 L C -1.744 175.171 176.870 0.074 0.000 1.223 203 L CA -1.104 53.815 54.840 0.132 0.000 0.864 203 L CB 0.352 42.499 42.059 0.146 0.000 1.118 203 L HN 0.272 nan 8.230 nan 0.000 0.494 204 P HA 0.196 nan 4.420 nan 0.000 0.276 204 P C 0.686 178.006 177.300 0.032 0.000 1.230 204 P CA 0.223 63.342 63.100 0.032 0.000 0.776 204 P CB 1.259 32.971 31.700 0.019 0.000 0.888 205 G N 1.814 110.631 108.800 0.028 0.000 2.232 205 G HA2 -0.083 3.877 3.960 0.000 0.000 0.226 205 G HA3 -0.083 3.877 3.960 0.000 0.000 0.226 205 G C 0.879 175.795 174.900 0.028 0.000 0.996 205 G CA 0.258 45.374 45.100 0.026 0.000 0.626 205 G HN 1.077 nan 8.290 nan 0.000 0.509 206 G N -0.942 107.878 108.800 0.035 0.000 2.225 206 G HA2 -0.197 3.763 3.960 0.000 0.000 0.254 206 G HA3 -0.197 3.763 3.960 0.000 0.000 0.254 206 G C 0.365 175.283 174.900 0.030 0.000 0.988 206 G CA 1.194 46.313 45.100 0.032 0.000 0.625 206 G HN 1.523 nan 8.290 nan 0.000 0.527 207 Q N 0.591 120.412 119.800 0.034 0.000 2.304 207 Q HA 0.367 4.707 4.340 0.000 0.000 0.301 207 Q C 0.304 176.320 176.000 0.027 0.000 1.063 207 Q CA 0.495 56.315 55.803 0.029 0.000 0.947 207 Q CB 0.417 29.177 28.738 0.035 0.000 1.201 207 Q HN 0.362 nan 8.270 nan 0.000 0.389 208 N N 2.870 121.572 118.700 0.003 0.000 2.485 208 N HA 0.158 4.898 4.740 0.000 0.000 0.243 208 N C 0.145 175.638 175.510 -0.029 0.000 0.987 208 N CA -0.077 52.957 53.050 -0.027 0.000 0.940 208 N CB 0.449 38.911 38.487 -0.042 0.000 1.122 208 N HN 0.679 nan 8.380 nan 0.000 0.509 209 I N 1.352 121.905 120.570 -0.028 0.000 2.127 209 I HA -0.273 3.897 4.170 0.000 0.000 0.241 209 I C 0.906 177.007 176.117 -0.028 0.000 1.075 209 I CA 1.226 62.522 61.300 -0.006 0.000 1.334 209 I CB 0.027 38.048 38.000 0.036 0.000 1.040 209 I HN 0.506 nan 8.210 nan 0.000 0.405 210 D N 0.152 120.512 120.400 -0.067 0.000 2.309 210 D HA -0.201 4.439 4.640 0.000 0.000 0.212 210 D C 1.935 178.209 176.300 -0.042 0.000 0.968 210 D CA 0.965 54.931 54.000 -0.057 0.000 0.882 210 D CB -0.088 40.661 40.800 -0.086 0.000 0.918 210 D HN 0.507 nan 8.370 nan 0.000 0.503 211 E N 0.016 120.191 120.200 -0.042 0.000 2.190 211 E HA 0.005 4.356 4.350 0.000 0.000 0.191 211 E C 2.115 178.704 176.600 -0.017 0.000 0.978 211 E CA 0.045 56.427 56.400 -0.031 0.000 0.839 211 E CB 0.208 29.888 29.700 -0.033 0.000 0.787 211 E HN 0.177 nan 8.360 nan 0.000 0.473 212 L N 0.487 121.703 121.223 -0.012 0.000 2.179 212 L HA -0.065 4.275 4.340 0.000 0.000 0.208 212 L C 2.291 179.161 176.870 -0.001 0.000 1.096 212 L CA 0.071 54.909 54.840 -0.003 0.000 0.779 212 L CB -0.097 41.964 42.059 0.003 0.000 0.922 212 L HN 0.216 nan 8.230 nan 0.000 0.443 213 L N -0.270 120.951 121.223 -0.003 0.000 2.261 213 L HA -0.218 4.122 4.340 0.000 0.000 0.216 213 L C 2.481 179.351 176.870 -0.001 0.000 1.114 213 L CA 1.683 56.524 54.840 0.001 0.000 0.777 213 L CB -0.416 41.643 42.059 -0.001 0.000 0.910 213 L HN 0.299 nan 8.230 nan 0.000 0.440 214 Q N -1.228 118.568 119.800 -0.005 0.000 2.036 214 Q HA -0.168 4.172 4.340 0.000 0.000 0.195 214 Q C 2.194 178.192 176.000 -0.003 0.000 0.971 214 Q CA 1.140 56.940 55.803 -0.005 0.000 0.826 214 Q CB -0.074 28.658 28.738 -0.010 0.000 0.896 214 Q HN 0.379 nan 8.270 nan 0.000 0.449 215 K N 0.374 120.772 120.400 -0.004 0.000 2.044 215 K HA -0.206 4.114 4.320 0.000 0.000 0.210 215 K C 1.986 178.586 176.600 0.000 0.000 1.049 215 K CA 1.665 57.950 56.287 -0.003 0.000 0.927 215 K CB -0.129 32.369 32.500 -0.004 0.000 0.713 215 K HN 0.057 nan 8.250 nan 0.000 0.443 216 M N 0.946 120.547 119.600 0.003 0.000 2.132 216 M HA -0.132 4.348 4.480 0.000 0.000 0.263 216 M C 1.854 178.160 176.300 0.010 0.000 1.065 216 M CA 1.624 56.929 55.300 0.007 0.000 1.122 216 M CB -0.082 32.524 32.600 0.010 0.000 1.365 216 M HN -0.009 nan 8.290 nan 0.000 0.411 217 E N -0.877 119.328 120.200 0.008 0.000 2.106 217 E HA -0.144 4.207 4.350 0.000 0.000 0.192 217 E C 2.155 178.760 176.600 0.009 0.000 0.984 217 E CA 1.375 57.781 56.400 0.009 0.000 0.806 217 E CB -0.387 29.317 29.700 0.007 0.000 0.750 217 E HN 0.533 nan 8.360 nan 0.000 0.458 218 S N -0.317 115.386 115.700 0.005 0.000 2.387 218 S HA -0.020 4.450 4.470 0.000 0.000 0.226 218 S C 2.105 176.708 174.600 0.005 0.000 1.026 218 S CA 0.579 58.781 58.200 0.004 0.000 0.972 218 S CB -0.072 63.128 63.200 -0.000 0.000 0.814 218 S HN 0.220 nan 8.310 nan 0.000 0.477 219 L N 0.843 122.069 121.223 0.005 0.000 2.109 219 L HA 0.050 4.390 4.340 0.000 0.000 0.207 219 L C 2.982 179.863 176.870 0.018 0.000 1.086 219 L CA 1.098 55.942 54.840 0.007 0.000 0.760 219 L CB -0.513 41.547 42.059 0.002 0.000 0.910 219 L HN 0.295 nan 8.230 nan 0.000 0.437 220 R N 0.445 120.958 120.500 0.021 0.000 2.096 220 R HA -0.211 4.130 4.340 0.000 0.000 0.235 220 R C 2.145 178.459 176.300 0.024 0.000 1.127 220 R CA 1.646 57.763 56.100 0.029 0.000 0.968 220 R CB -0.041 30.276 30.300 0.028 0.000 0.861 220 R HN 0.426 nan 8.270 nan 0.000 0.440 221 E N -0.795 119.415 120.200 0.017 0.000 2.072 221 E HA -0.117 4.233 4.350 0.000 0.000 0.190 221 E C 1.387 177.993 176.600 0.010 0.000 0.982 221 E CA 1.450 57.858 56.400 0.013 0.000 0.803 221 E CB 0.103 29.809 29.700 0.011 0.000 0.755 221 E HN 0.206 nan 8.360 nan 0.000 0.453 222 T N 1.709 116.269 114.554 0.010 0.000 2.708 222 T HA -0.118 4.233 4.350 0.000 0.000 0.266 222 T C 1.840 176.540 174.700 -0.000 0.000 1.037 222 T CA 0.917 63.022 62.100 0.008 0.000 1.146 222 T CB -0.081 68.791 68.868 0.006 0.000 0.865 222 T HN 0.155 nan 8.240 nan 0.000 0.435 223 I N 1.221 121.801 120.570 0.017 0.000 2.208 223 I HA -0.128 4.042 4.170 0.000 0.000 0.245 223 I C 2.615 178.718 176.117 -0.023 0.000 1.097 223 I CA 1.313 62.630 61.300 0.028 0.000 1.363 223 I CB -1.051 37.004 38.000 0.092 0.000 1.051 223 I HN 0.192 nan 8.210 nan 0.000 0.413 224 S N 0.049 115.745 115.700 -0.006 0.000 2.383 224 S HA -0.155 4.315 4.470 0.000 0.000 0.227 224 S C 1.801 176.377 174.600 -0.040 0.000 1.026 224 S CA 0.941 59.132 58.200 -0.015 0.000 0.981 224 S CB -0.052 63.153 63.200 0.008 0.000 0.818 224 S HN 0.424 nan 8.310 nan 0.000 0.472 225 E N 0.470 120.653 120.200 -0.029 0.000 2.021 225 E HA -0.159 4.192 4.350 0.000 0.000 0.200 225 E C 2.106 178.661 176.600 -0.074 0.000 1.015 225 E CA 1.634 58.022 56.400 -0.020 0.000 0.824 225 E CB -0.300 29.406 29.700 0.010 0.000 0.762 225 E HN 0.265 nan 8.360 nan 0.000 0.454 226 V N 2.145 121.967 119.914 -0.154 0.000 2.392 226 V HA -0.280 3.840 4.120 0.000 0.000 0.249 226 V C 2.207 177.831 176.094 -0.784 0.000 1.059 226 V CA 1.731 63.779 62.300 -0.420 0.000 1.051 226 V CB -0.655 30.864 31.823 -0.507 0.000 0.658 226 V HN 0.359 nan 8.190 nan 0.000 0.455 227 N N 0.558 118.957 118.700 -0.501 0.000 2.188 227 N HA -0.157 4.584 4.740 0.000 0.000 0.184 227 N C 1.931 177.371 175.510 -0.118 0.000 1.018 227 N CA 2.052 54.880 53.050 -0.370 0.000 0.858 227 N CB 0.048 38.459 38.487 -0.127 0.000 0.989 227 N HN 0.687 nan 8.380 nan 0.000 0.426 228 T N -1.848 112.669 114.554 -0.062 0.000 3.055 228 T HA 0.029 4.379 4.350 0.000 0.000 0.265 228 T C 1.767 176.507 174.700 0.068 0.000 1.111 228 T CA 0.594 62.710 62.100 0.026 0.000 1.118 228 T CB 0.025 68.910 68.868 0.028 0.000 0.909 228 T HN 0.211 nan 8.240 nan 0.000 0.501 229 Q N -0.299 119.527 119.800 0.043 0.000 2.049 229 Q HA 0.040 4.380 4.340 0.000 0.000 0.198 229 Q C 1.865 178.048 176.000 0.305 0.000 0.971 229 Q CA 1.042 56.946 55.803 0.168 0.000 0.833 229 Q CB -0.237 28.633 28.738 0.219 0.000 0.896 229 Q HN 0.442 nan 8.270 nan 0.000 0.434 230 F N 1.542 121.498 119.950 0.010 0.000 2.120 230 F HA -0.190 4.337 4.527 0.000 0.000 0.300 230 F C 1.804 177.675 175.800 0.118 0.000 1.095 230 F CA 1.289 59.327 58.000 0.063 0.000 1.249 230 F CB -0.412 38.607 39.000 0.032 0.000 0.995 230 F HN 0.003 nan 8.300 nan 0.000 0.480 231 K N -0.146 120.425 120.400 0.285 0.000 2.505 231 K HA -0.048 4.272 4.320 0.000 0.000 0.192 231 K C 0.326 177.019 176.600 0.155 0.000 1.025 231 K CA -0.034 56.368 56.287 0.191 0.000 1.086 231 K CB -0.311 32.276 32.500 0.146 0.000 0.840 231 K HN -0.001 nan 8.250 nan 0.000 0.514 232 N N 1.169 119.975 118.700 0.176 0.000 2.469 232 N HA 0.128 4.869 4.740 0.000 0.000 0.253 232 N C -2.315 173.285 175.510 0.150 0.000 0.970 232 N CA -2.451 50.685 53.050 0.144 0.000 0.940 232 N CB 1.615 40.186 38.487 0.139 0.000 1.128 232 N HN -0.227 nan 8.380 nan 0.000 0.503 233 P HA -0.051 nan 4.420 nan 0.000 0.219 233 P C 0.249 177.612 177.300 0.104 0.000 1.146 233 P CA 0.977 64.144 63.100 0.111 0.000 0.808 233 P CB 0.434 32.178 31.700 0.074 0.000 0.779 234 D N -1.642 118.813 120.400 0.091 0.000 2.219 234 D HA -0.042 4.598 4.640 0.000 0.000 0.205 234 D C 1.694 178.053 176.300 0.099 0.000 0.970 234 D CA 1.224 55.270 54.000 0.078 0.000 0.851 234 D CB -0.265 40.573 40.800 0.063 0.000 0.943 234 D HN 0.282 nan 8.370 nan 0.000 0.488 235 M N -1.152 118.532 119.600 0.140 0.000 2.449 235 M HA 0.100 4.580 4.480 0.000 0.000 0.262 235 M C -0.076 176.366 176.300 0.236 0.000 1.152 235 M CA 0.549 55.957 55.300 0.179 0.000 1.104 235 M CB 1.173 33.908 32.600 0.224 0.000 1.416 235 M HN -0.309 nan 8.290 nan 0.000 0.519 236 T N 0.181 114.875 114.554 0.234 0.000 2.991 236 T HA 0.434 4.784 4.350 0.000 0.000 0.303 236 T C -0.798 174.029 174.700 0.212 0.000 1.015 236 T CA -0.411 61.835 62.100 0.244 0.000 1.007 236 T CB 2.705 71.758 68.868 0.309 0.000 1.034 236 T HN -0.002 nan 8.240 nan 0.000 0.446 237 T N 1.971 116.639 114.554 0.189 0.000 2.896 237 T HA 0.747 5.098 4.350 0.000 0.000 0.297 237 T C -1.908 172.941 174.700 0.249 0.000 1.108 237 T CA -0.603 61.620 62.100 0.206 0.000 1.004 237 T CB 1.128 70.089 68.868 0.156 0.000 1.159 237 T HN 0.438 nan 8.240 nan 0.000 0.499 238 F N 3.271 123.275 119.950 0.091 0.000 2.467 238 F HA 0.696 5.223 4.527 0.000 0.000 0.336 238 F C -0.782 175.021 175.800 0.006 0.000 1.123 238 F CA -0.596 57.464 58.000 0.100 0.000 0.964 238 F CB 1.386 40.405 39.000 0.032 0.000 1.136 238 F HN 0.302 nan 8.300 nan 0.000 0.447 239 V N 5.795 125.645 119.914 -0.106 0.000 2.347 239 V HA 0.208 4.328 4.120 0.000 0.000 0.280 239 V C -0.333 175.775 176.094 0.023 0.000 1.021 239 V CA -0.760 61.519 62.300 -0.035 0.000 0.847 239 V CB 0.850 32.620 31.823 -0.089 0.000 0.990 239 V HN 0.853 nan 8.190 nan 0.000 0.444 240 C N 5.616 125.001 119.300 0.142 0.000 2.452 240 C HA 0.628 5.088 4.460 0.000 0.000 0.379 240 C C 0.474 175.481 174.990 0.027 0.000 1.275 240 C CA -0.589 58.504 59.018 0.125 0.000 2.056 240 C CB 0.598 28.361 27.740 0.039 0.000 2.506 240 C HN 0.658 nan 8.230 nan 0.000 0.560 241 V N 2.626 122.554 119.914 0.024 0.000 2.667 241 V HA 0.799 4.919 4.120 0.000 0.000 0.308 241 V C 0.114 176.197 176.094 -0.018 0.000 1.048 241 V CA -0.372 61.931 62.300 0.005 0.000 0.928 241 V CB 1.405 33.239 31.823 0.018 0.000 1.004 241 V HN 1.181 nan 8.190 nan 0.000 0.444 242 C N 2.970 122.254 119.300 -0.026 0.000 3.307 242 C HA 0.732 5.192 4.460 0.000 0.000 0.333 242 C C -0.793 174.172 174.990 -0.042 0.000 1.291 242 C CA -0.913 58.077 59.018 -0.048 0.000 1.273 242 C CB 0.282 27.975 27.740 -0.079 0.000 1.580 242 C HN 0.798 nan 8.230 nan 0.000 0.481 243 I N 1.630 122.164 120.570 -0.059 0.000 2.934 243 I HA 0.557 4.727 4.170 0.000 0.000 0.315 243 I C 1.069 177.126 176.117 -0.099 0.000 0.997 243 I CA -0.316 60.944 61.300 -0.066 0.000 1.184 243 I CB 1.214 39.172 38.000 -0.071 0.000 1.400 243 I HN 0.953 nan 8.210 nan 0.000 0.549 244 A N 3.105 125.866 122.820 -0.098 0.000 3.215 244 A HA 0.307 4.628 4.320 0.000 0.000 0.269 244 A C -0.039 177.338 177.584 -0.346 0.000 1.517 244 A CA -0.284 51.675 52.037 -0.129 0.000 1.221 244 A CB -0.683 18.320 19.000 0.005 0.000 1.160 244 A HN 0.621 nan 8.150 nan 0.000 0.620 245 E N -0.946 118.984 120.200 -0.449 0.000 2.334 245 E HA 0.355 4.706 4.350 0.000 0.000 0.256 245 E C 0.130 176.314 176.600 -0.694 0.000 0.958 245 E CA -0.715 55.322 56.400 -0.604 0.000 0.821 245 E CB 0.670 30.238 29.700 -0.220 0.000 1.269 245 E HN 0.294 nan 8.360 nan 0.000 0.413 246 F N 0.881 120.489 119.950 -0.571 0.000 2.074 246 F HA -0.031 4.496 4.527 0.000 0.000 0.293 246 F C 2.044 177.796 175.800 -0.079 0.000 1.116 246 F CA 1.271 59.137 58.000 -0.223 0.000 1.212 246 F CB -0.198 38.809 39.000 0.012 0.000 0.998 246 F HN 0.315 nan 8.300 nan 0.000 0.471 247 L N -0.563 120.682 121.223 0.037 0.000 2.189 247 L HA -0.272 4.069 4.340 0.000 0.000 0.214 247 L C 2.655 179.487 176.870 -0.062 0.000 1.097 247 L CA 1.552 56.390 54.840 -0.002 0.000 0.764 247 L CB -0.849 41.247 42.059 0.062 0.000 0.900 247 L HN 0.274 nan 8.230 nan 0.000 0.436 248 S N -0.380 115.250 115.700 -0.117 0.000 2.371 248 S HA -0.062 4.409 4.470 0.000 0.000 0.221 248 S C 1.858 176.368 174.600 -0.149 0.000 1.036 248 S CA 0.438 58.570 58.200 -0.114 0.000 0.965 248 S CB -0.032 63.102 63.200 -0.110 0.000 0.845 248 S HN 0.171 nan 8.310 nan 0.000 0.475 249 L N 1.059 122.161 121.223 -0.202 0.000 2.129 249 L HA -0.068 4.272 4.340 0.000 0.000 0.212 249 L C 2.077 178.836 176.870 -0.184 0.000 1.087 249 L CA 1.720 56.460 54.840 -0.167 0.000 0.757 249 L CB -1.047 40.921 42.059 -0.151 0.000 0.896 249 L HN 0.536 nan 8.230 nan 0.000 0.434 250 Y N 0.208 120.244 120.300 -0.439 0.000 2.153 250 Y HA -0.202 4.348 4.550 0.000 0.000 0.289 250 Y C 2.580 178.343 175.900 -0.227 0.000 1.127 250 Y CA 1.700 59.550 58.100 -0.416 0.000 1.131 250 Y CB -0.113 37.983 38.460 -0.607 0.000 0.995 250 Y HN 0.168 nan 8.280 nan 0.000 0.505 251 E N -0.481 119.585 120.200 -0.223 0.000 2.265 251 E HA -0.132 4.218 4.350 0.000 0.000 0.196 251 E C 1.995 178.441 176.600 -0.257 0.000 0.996 251 E CA 1.743 57.990 56.400 -0.255 0.000 0.832 251 E CB -0.232 29.413 29.700 -0.092 0.000 0.756 251 E HN 0.509 nan 8.360 nan 0.000 0.491 252 T N 0.001 114.424 114.554 -0.218 0.000 2.809 252 T HA -0.138 4.212 4.350 0.000 0.000 0.260 252 T C 1.595 176.177 174.700 -0.197 0.000 1.039 252 T CA 1.301 63.286 62.100 -0.191 0.000 1.141 252 T CB -0.231 68.531 68.868 -0.178 0.000 0.869 252 T HN 0.495 nan 8.240 nan 0.000 0.437 253 E N 1.522 121.626 120.200 -0.160 0.000 2.204 253 E HA -0.167 4.183 4.350 0.000 0.000 0.194 253 E C 2.211 178.691 176.600 -0.200 0.000 0.989 253 E CA 0.952 57.295 56.400 -0.095 0.000 0.824 253 E CB -0.195 29.467 29.700 -0.064 0.000 0.756 253 E HN 0.353 nan 8.360 nan 0.000 0.477 254 R N 0.072 120.365 120.500 -0.344 0.000 2.148 254 R HA 0.010 4.350 4.340 0.000 0.000 0.223 254 R C 2.229 178.373 176.300 -0.259 0.000 1.088 254 R CA 1.300 57.185 56.100 -0.359 0.000 0.985 254 R CB -0.117 29.850 30.300 -0.556 0.000 0.880 254 R HN 0.340 nan 8.270 nan 0.000 0.451 255 M N -0.077 119.373 119.600 -0.251 0.000 2.476 255 M HA 0.061 4.541 4.480 0.000 0.000 0.262 255 M C 1.397 177.526 176.300 -0.284 0.000 1.111 255 M CA 1.012 56.154 55.300 -0.263 0.000 1.127 255 M CB 0.348 32.797 32.600 -0.251 0.000 1.376 255 M HN 0.176 nan 8.290 nan 0.000 0.465 256 I N -0.151 120.293 120.570 -0.210 0.000 2.617 256 I HA -0.218 3.952 4.170 0.000 0.000 0.256 256 I C 2.121 178.183 176.117 -0.092 0.000 1.167 256 I CA 0.742 61.956 61.300 -0.142 0.000 1.469 256 I CB -0.232 37.741 38.000 -0.046 0.000 1.098 256 I HN 0.387 nan 8.210 nan 0.000 0.436 257 Q N 0.652 120.391 119.800 -0.101 0.000 2.016 257 Q HA -0.245 4.096 4.340 0.000 0.000 0.200 257 Q C 2.142 178.084 176.000 -0.096 0.000 0.978 257 Q CA 1.564 57.318 55.803 -0.083 0.000 0.833 257 Q CB -0.120 28.561 28.738 -0.095 0.000 0.895 257 Q HN 0.420 nan 8.270 nan 0.000 0.427 258 E N 0.511 120.636 120.200 -0.124 0.000 2.085 258 E HA -0.207 4.144 4.350 0.000 0.000 0.194 258 E C 2.033 178.608 176.600 -0.042 0.000 0.994 258 E CA 0.795 57.141 56.400 -0.090 0.000 0.801 258 E CB -0.015 29.619 29.700 -0.110 0.000 0.743 258 E HN 0.301 nan 8.360 nan 0.000 0.453 259 L N 0.016 121.143 121.223 -0.160 0.000 2.017 259 L HA -0.174 4.166 4.340 0.000 0.000 0.208 259 L C 2.599 179.434 176.870 -0.058 0.000 1.073 259 L CA 1.393 56.119 54.840 -0.190 0.000 0.745 259 L CB -0.403 41.421 42.059 -0.393 0.000 0.894 259 L HN 0.159 nan 8.230 nan 0.000 0.432 260 T N -0.906 113.620 114.554 -0.046 0.000 2.833 260 T HA -0.159 4.191 4.350 0.000 0.000 0.269 260 T C 2.102 176.794 174.700 -0.015 0.000 1.054 260 T CA 1.433 63.529 62.100 -0.007 0.000 1.135 260 T CB -0.153 68.721 68.868 0.008 0.000 0.869 260 T HN 0.558 nan 8.240 nan 0.000 0.466 261 S N 0.860 116.531 115.700 -0.047 0.000 2.345 261 S HA -0.144 4.326 4.470 0.000 0.000 0.220 261 S C 1.825 176.359 174.600 -0.110 0.000 1.031 261 S CA 0.917 59.054 58.200 -0.106 0.000 0.996 261 S CB -1.048 62.041 63.200 -0.186 0.000 0.882 261 S HN 0.500 nan 8.310 nan 0.000 0.445 262 Y N 2.623 122.871 120.300 -0.087 0.000 2.483 262 Y HA 0.181 4.731 4.550 0.000 0.000 0.291 262 Y C 2.091 177.974 175.900 -0.027 0.000 1.143 262 Y CA 0.587 58.645 58.100 -0.069 0.000 1.289 262 Y CB -0.647 37.747 38.460 -0.109 0.000 0.983 262 Y HN 0.595 nan 8.280 nan 0.000 0.556 263 G N 0.285 109.147 108.800 0.103 0.000 2.132 263 G HA2 -0.270 3.690 3.960 0.000 0.000 0.228 263 G HA3 -0.270 3.690 3.960 0.000 0.000 0.228 263 G C -0.021 174.938 174.900 0.099 0.000 1.000 263 G CA -0.047 45.103 45.100 0.083 0.000 0.693 263 G HN 0.276 nan 8.290 nan 0.000 0.515 264 I N 1.308 121.928 120.570 0.083 0.000 2.315 264 I HA 0.233 4.404 4.170 0.000 0.000 0.291 264 I C 0.495 176.661 176.117 0.081 0.000 1.006 264 I CA -0.682 60.670 61.300 0.086 0.000 1.265 264 I CB 1.091 39.097 38.000 0.009 0.000 1.387 264 I HN 0.189 nan 8.210 nan 0.000 0.475 265 D N 4.764 125.240 120.400 0.126 0.000 2.493 265 D HA 0.048 4.688 4.640 0.000 0.000 0.240 265 D C -0.295 176.094 176.300 0.149 0.000 1.142 265 D CA 0.754 54.829 54.000 0.125 0.000 0.872 265 D CB 0.755 41.642 40.800 0.145 0.000 1.173 265 D HN 0.501 nan 8.370 nan 0.000 0.467 266 T N 2.286 116.901 114.554 0.101 0.000 2.991 266 T HA 0.435 4.785 4.350 0.000 0.000 0.303 266 T C -0.707 173.913 174.700 -0.134 0.000 1.015 266 T CA -0.645 61.511 62.100 0.093 0.000 1.007 266 T CB 0.482 69.457 68.868 0.178 0.000 1.034 266 T HN 0.667 nan 8.240 nan 0.000 0.446 267 H N 2.118 121.025 119.070 -0.273 0.000 3.109 267 H HA 0.735 5.291 4.556 0.000 0.000 0.248 267 H C -0.546 174.624 175.328 -0.264 0.000 1.177 267 H CA -0.211 55.370 56.048 -0.778 0.000 0.977 267 H CB -0.056 29.431 29.762 -0.458 0.000 2.165 267 H HN 0.642 nan 8.280 nan 0.000 0.693 268 A N 1.443 124.217 122.820 -0.077 0.000 2.429 268 A HA 0.600 4.920 4.320 0.000 0.000 0.289 268 A C -1.281 176.392 177.584 0.149 0.000 1.043 268 A CA -0.600 51.470 52.037 0.055 0.000 0.722 268 A CB 0.816 19.702 19.000 -0.190 0.000 1.243 268 A HN 0.345 nan 8.150 nan 0.000 0.415 269 I N 2.875 123.523 120.570 0.130 0.000 2.389 269 I HA 0.354 4.524 4.170 0.000 0.000 0.288 269 I C -0.635 175.482 176.117 0.000 0.000 0.999 269 I CA -0.986 60.303 61.300 -0.019 0.000 1.129 269 I CB 1.999 39.867 38.000 -0.220 0.000 1.288 269 I HN 0.306 nan 8.210 nan 0.000 0.444 270 V N 7.434 127.347 119.914 -0.003 0.000 2.348 270 V HA 0.196 4.316 4.120 0.000 0.000 0.270 270 V C 0.171 176.270 176.094 0.009 0.000 1.037 270 V CA -0.575 61.734 62.300 0.015 0.000 0.872 270 V CB 1.526 33.366 31.823 0.028 0.000 1.002 270 V HN 0.402 nan 8.190 nan 0.000 0.464 271 V N 5.385 125.308 119.914 0.016 0.000 2.320 271 V HA 0.303 4.423 4.120 0.000 0.000 0.265 271 V C 0.354 176.459 176.094 0.018 0.000 1.048 271 V CA -0.399 61.906 62.300 0.008 0.000 0.865 271 V CB 0.863 32.694 31.823 0.014 0.000 1.043 271 V HN 0.867 nan 8.190 nan 0.000 0.474 272 N N 2.767 121.480 118.700 0.021 0.000 2.458 272 N HA 0.294 5.034 4.740 0.000 0.000 0.271 272 N C 0.386 175.901 175.510 0.008 0.000 1.210 272 N CA -0.269 52.811 53.050 0.050 0.000 0.978 272 N CB 0.773 39.309 38.487 0.080 0.000 1.206 272 N HN 0.637 nan 8.380 nan 0.000 0.536 273 Q N -1.000 118.813 119.800 0.022 0.000 2.481 273 Q HA -0.217 4.123 4.340 0.000 0.000 0.272 273 Q C -0.724 175.231 176.000 -0.075 0.000 1.157 273 Q CA 0.376 56.169 55.803 -0.018 0.000 0.935 273 Q CB -1.885 26.841 28.738 -0.020 0.000 1.338 273 Q HN 0.484 nan 8.270 nan 0.000 0.494 274 L N 0.881 122.021 121.223 -0.138 0.000 2.417 274 L HA 0.286 4.626 4.340 0.000 0.000 0.268 274 L C 0.648 177.293 176.870 -0.376 0.000 1.158 274 L CA -0.254 54.416 54.840 -0.284 0.000 0.819 274 L CB 0.445 42.244 42.059 -0.434 0.000 1.112 274 L HN 0.134 nan 8.230 nan 0.000 0.458 275 L N 2.614 123.637 121.223 -0.333 0.000 2.312 275 L HA 0.427 4.768 4.340 0.000 0.000 0.281 275 L C -0.656 175.999 176.870 -0.359 0.000 1.070 275 L CA -0.238 54.461 54.840 -0.234 0.000 0.805 275 L CB 0.908 42.914 42.059 -0.088 0.000 1.174 275 L HN 0.343 nan 8.230 nan 0.000 0.434 276 F N 1.297 121.296 119.950 0.082 0.000 2.556 276 F HA 0.598 5.125 4.527 0.000 0.000 0.327 276 F C -1.406 174.449 175.800 0.092 0.000 1.059 276 F CA -1.983 56.086 58.000 0.114 0.000 0.953 276 F CB 0.390 39.516 39.000 0.211 0.000 1.227 276 F HN 0.325 nan 8.300 nan 0.000 0.478 283 C N 0.394 119.708 119.300 0.023 0.000 2.293 283 C HA 0.764 5.224 4.460 0.000 0.000 0.323 283 C C 1.095 176.097 174.990 0.020 0.000 1.240 283 C CA -0.545 58.485 59.018 0.021 0.000 1.497 283 C CB 1.036 28.789 27.740 0.023 0.000 2.171 283 C HN 0.451 nan 8.230 nan 0.000 0.465 284 E N 1.891 122.101 120.200 0.017 0.000 2.016 284 E HA -0.250 4.100 4.350 0.000 0.000 0.190 284 E C 2.083 178.692 176.600 0.015 0.000 0.985 284 E CA 1.490 57.900 56.400 0.015 0.000 0.802 284 E CB -0.102 29.605 29.700 0.012 0.000 0.762 284 E HN 0.929 nan 8.360 nan 0.000 0.448 285 Q N 0.067 119.875 119.800 0.014 0.000 2.234 285 Q HA -0.192 4.148 4.340 0.000 0.000 0.206 285 Q C 2.179 178.188 176.000 0.015 0.000 0.980 285 Q CA 1.563 57.373 55.803 0.013 0.000 0.869 285 Q CB -0.279 28.466 28.738 0.011 0.000 0.912 285 Q HN 0.395 nan 8.270 nan 0.000 0.436 286 C N 0.662 119.972 119.300 0.018 0.000 2.446 286 C HA -0.007 4.453 4.460 0.000 0.000 0.279 286 C C 2.282 177.285 174.990 0.022 0.000 1.366 286 C CA 0.670 59.700 59.018 0.020 0.000 1.763 286 C CB -1.191 26.563 27.740 0.024 0.000 1.929 286 C HN 0.590 nan 8.230 nan 0.000 0.509 287 N N 1.088 119.802 118.700 0.023 0.000 2.142 287 N HA -0.056 4.684 4.740 0.000 0.000 0.186 287 N C 1.947 177.468 175.510 0.019 0.000 1.023 287 N CA 1.648 54.712 53.050 0.024 0.000 0.852 287 N CB -0.481 38.020 38.487 0.024 0.000 0.998 287 N HN 0.609 nan 8.380 nan 0.000 0.424 288 A N 1.336 124.165 122.820 0.015 0.000 1.858 288 A HA -0.169 4.151 4.320 0.000 0.000 0.216 288 A C 2.238 179.830 177.584 0.013 0.000 1.190 288 A CA 1.789 53.833 52.037 0.011 0.000 0.617 288 A CB -0.605 18.400 19.000 0.008 0.000 0.827 288 A HN 0.252 nan 8.150 nan 0.000 0.443 289 R N -0.022 120.488 120.500 0.018 0.000 2.170 289 R HA -0.138 4.203 4.340 0.000 0.000 0.242 289 R C 2.180 178.495 176.300 0.024 0.000 1.145 289 R CA 2.054 58.169 56.100 0.024 0.000 0.984 289 R CB -0.462 29.851 30.300 0.021 0.000 0.869 289 R HN 0.571 nan 8.270 nan 0.000 0.455 290 R N -0.042 120.469 120.500 0.017 0.000 2.127 290 R HA 0.025 4.365 4.340 0.000 0.000 0.217 290 R C 1.662 177.972 176.300 0.016 0.000 1.074 290 R CA 1.018 57.125 56.100 0.012 0.000 0.991 290 R CB 0.036 30.346 30.300 0.016 0.000 0.895 290 R HN 0.144 nan 8.270 nan 0.000 0.450 291 K N 0.111 120.519 120.400 0.013 0.000 2.147 291 K HA -0.121 4.199 4.320 0.000 0.000 0.205 291 K C 2.043 178.636 176.600 -0.012 0.000 1.049 291 K CA 1.602 57.891 56.287 0.003 0.000 0.936 291 K CB -0.007 32.491 32.500 -0.003 0.000 0.722 291 K HN 0.277 nan 8.250 nan 0.000 0.446 292 M N 0.282 119.879 119.600 -0.006 0.000 2.156 292 M HA -0.169 4.311 4.480 0.000 0.000 0.264 292 M C 2.181 178.497 176.300 0.027 0.000 1.067 292 M CA 1.510 56.793 55.300 -0.028 0.000 1.131 292 M CB -0.312 32.303 32.600 0.026 0.000 1.368 292 M HN 0.130 nan 8.290 nan 0.000 0.416 293 Q N 0.504 120.359 119.800 0.092 0.000 2.112 293 Q HA -0.234 4.106 4.340 0.000 0.000 0.206 293 Q C 2.082 178.134 176.000 0.087 0.000 0.987 293 Q CA 1.591 57.468 55.803 0.124 0.000 0.858 293 Q CB -0.213 28.547 28.738 0.037 0.000 0.905 293 Q HN 0.428 nan 8.270 nan 0.000 0.420 294 K N 0.894 121.317 120.400 0.038 0.000 2.063 294 K HA -0.209 4.111 4.320 0.000 0.000 0.208 294 K C 1.879 178.491 176.600 0.019 0.000 1.048 294 K CA 1.410 57.717 56.287 0.033 0.000 0.928 294 K CB 0.120 32.634 32.500 0.023 0.000 0.713 294 K HN -0.009 nan 8.250 nan 0.000 0.442 295 K N -0.556 119.823 120.400 -0.035 0.000 1.985 295 K HA -0.149 4.172 4.320 0.000 0.000 0.210 295 K C 2.081 178.649 176.600 -0.054 0.000 1.047 295 K CA 1.811 58.040 56.287 -0.097 0.000 0.932 295 K CB -0.266 32.099 32.500 -0.224 0.000 0.716 295 K HN 0.115 nan 8.250 nan 0.000 0.439 296 Y N 0.444 120.768 120.300 0.040 0.000 2.256 296 Y HA -0.196 4.355 4.550 0.000 0.000 0.288 296 Y C 1.977 177.903 175.900 0.042 0.000 1.155 296 Y CA 0.790 58.920 58.100 0.050 0.000 1.203 296 Y CB -0.315 38.176 38.460 0.052 0.000 0.980 296 Y HN 0.037 nan 8.280 nan 0.000 0.530 297 L N 0.129 121.460 121.223 0.181 0.000 2.156 297 L HA -0.121 4.220 4.340 0.000 0.000 0.208 297 L C 1.978 178.908 176.870 0.100 0.000 1.095 297 L CA 1.599 56.514 54.840 0.124 0.000 0.770 297 L CB -0.729 41.386 42.059 0.093 0.000 0.914 297 L HN 0.213 nan 8.230 nan 0.000 0.439 298 E N -1.305 118.941 120.200 0.076 0.000 2.072 298 E HA -0.229 4.122 4.350 0.000 0.000 0.191 298 E C 2.084 178.715 176.600 0.052 0.000 0.985 298 E CA 0.948 57.381 56.400 0.055 0.000 0.801 298 E CB -0.067 29.652 29.700 0.032 0.000 0.750 298 E HN 0.573 nan 8.360 nan 0.000 0.452 299 Q N 0.516 120.354 119.800 0.064 0.000 2.045 299 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 299 Q C 2.339 178.361 176.000 0.036 0.000 0.991 299 Q CA 1.480 57.315 55.803 0.053 0.000 0.851 299 Q CB -0.242 28.561 28.738 0.110 0.000 0.911 299 Q HN 0.354 nan 8.270 nan 0.000 0.418 300 I N 0.866 121.495 120.570 0.099 0.000 2.163 300 I HA -0.268 3.902 4.170 0.000 0.000 0.243 300 I C 2.177 178.376 176.117 0.138 0.000 1.085 300 I CA 1.037 62.432 61.300 0.158 0.000 1.347 300 I CB -0.405 37.702 38.000 0.178 0.000 1.044 300 I HN 0.186 nan 8.210 nan 0.000 0.408 301 E N 0.520 120.783 120.200 0.105 0.000 2.204 301 E HA -0.249 4.101 4.350 0.000 0.000 0.195 301 E C 1.924 178.561 176.600 0.061 0.000 0.990 301 E CA 1.073 57.532 56.400 0.098 0.000 0.821 301 E CB -0.135 29.616 29.700 0.085 0.000 0.750 301 E HN 0.599 nan 8.360 nan 0.000 0.477 302 E N 0.410 120.619 120.200 0.014 0.000 2.042 302 E HA -0.043 4.307 4.350 0.000 0.000 0.189 302 E C 2.318 178.862 176.600 -0.093 0.000 0.974 302 E CA 0.113 56.501 56.400 -0.021 0.000 0.806 302 E CB 0.124 29.810 29.700 -0.024 0.000 0.769 302 E HN 0.124 nan 8.360 nan 0.000 0.451 303 L N 0.100 121.185 121.223 -0.231 0.000 2.017 303 L HA -0.162 4.179 4.340 0.000 0.000 0.208 303 L C 0.861 177.404 176.870 -0.546 0.000 1.073 303 L CA 1.113 55.650 54.840 -0.505 0.000 0.745 303 L CB -0.289 41.227 42.059 -0.905 0.000 0.894 303 L HN 0.243 nan 8.230 nan 0.000 0.432 304 Y N -0.585 119.678 120.300 -0.061 0.000 2.783 304 Y HA 0.159 4.709 4.550 0.000 0.000 0.382 304 Y C 1.465 177.461 175.900 0.160 0.000 1.076 304 Y CA -0.528 57.545 58.100 -0.044 0.000 1.530 304 Y CB -0.292 37.909 38.460 -0.431 0.000 1.546 304 Y HN 0.103 nan 8.280 nan 0.000 0.537 305 E N 0.568 120.899 120.200 0.218 0.000 2.110 305 E HA -0.184 4.167 4.350 0.000 0.000 0.193 305 E C 0.731 177.473 176.600 0.235 0.000 0.988 305 E CA 1.426 57.936 56.400 0.184 0.000 0.804 305 E CB 0.266 30.030 29.700 0.108 0.000 0.745 305 E HN 0.498 nan 8.360 nan 0.000 0.458 306 D N -0.659 119.926 120.400 0.309 0.000 2.363 306 D HA 0.002 4.642 4.640 0.000 0.000 0.226 306 D C -0.394 176.031 176.300 0.208 0.000 1.020 306 D CA 0.512 54.645 54.000 0.221 0.000 0.892 306 D CB -0.039 40.860 40.800 0.164 0.000 0.900 306 D HN 0.100 nan 8.370 nan 0.000 0.531 307 F N 0.870 120.916 119.950 0.161 0.000 2.432 307 F HA 0.261 4.788 4.527 0.000 0.000 0.329 307 F C 1.024 176.905 175.800 0.135 0.000 1.076 307 F CA -1.256 56.841 58.000 0.162 0.000 1.018 307 F CB 0.924 40.005 39.000 0.136 0.000 1.201 307 F HN -0.355 nan 8.300 nan 0.000 0.489 308 N N 1.756 120.633 118.700 0.295 0.000 2.442 308 N HA 0.155 4.895 4.740 0.000 0.000 0.265 308 N C -0.947 174.679 175.510 0.193 0.000 1.138 308 N CA 0.004 53.176 53.050 0.203 0.000 0.956 308 N CB 1.442 40.026 38.487 0.161 0.000 1.067 308 N HN 0.185 nan 8.380 nan 0.000 0.474 309 V N 3.344 123.352 119.914 0.157 0.000 2.275 309 V HA 0.164 4.284 4.120 0.000 0.000 0.272 309 V C 0.371 176.521 176.094 0.093 0.000 1.028 309 V CA -0.783 61.589 62.300 0.120 0.000 0.810 309 V CB 1.167 33.066 31.823 0.127 0.000 1.043 309 V HN 0.284 nan 8.190 nan 0.000 0.453 310 V N 6.268 126.224 119.914 0.071 0.000 2.461 310 V HA 0.383 4.504 4.120 0.000 0.000 0.275 310 V C 0.509 176.643 176.094 0.067 0.000 1.047 310 V CA -0.441 61.895 62.300 0.060 0.000 0.955 310 V CB 1.159 33.001 31.823 0.031 0.000 0.988 310 V HN 0.775 nan 8.190 nan 0.000 0.471 311 R N 5.704 126.266 120.500 0.102 0.000 2.265 311 R HA 0.610 4.950 4.340 0.000 0.000 0.328 311 R C -0.836 175.555 176.300 0.152 0.000 0.969 311 R CA -0.582 55.607 56.100 0.149 0.000 0.832 311 R CB 1.283 31.741 30.300 0.262 0.000 1.139 311 R HN 0.513 nan 8.270 nan 0.000 0.457 312 M N 3.963 123.611 119.600 0.079 0.000 2.364 312 M HA 0.438 4.918 4.480 0.000 0.000 0.334 312 M C -2.458 173.861 176.300 0.032 0.000 1.107 312 M CA -3.205 52.103 55.300 0.013 0.000 0.988 312 M CB 1.518 34.103 32.600 -0.024 0.000 1.673 312 M HN 0.221 nan 8.290 nan 0.000 0.441 313 P HA 0.321 nan 4.420 nan 0.000 0.282 313 P C -0.581 176.697 177.300 -0.038 0.000 1.249 313 P CA -0.769 62.281 63.100 -0.084 0.000 0.806 313 P CB 0.648 32.067 31.700 -0.469 0.000 0.984 314 L N 3.607 124.805 121.223 -0.042 0.000 2.462 314 L HA 0.126 4.467 4.340 0.000 0.000 0.272 314 L C -0.707 176.169 176.870 0.009 0.000 1.166 314 L CA 0.538 55.376 54.840 -0.005 0.000 0.880 314 L CB -0.720 41.327 42.059 -0.021 0.000 1.142 314 L HN 0.204 nan 8.230 nan 0.000 0.473 315 L N 5.275 126.516 121.223 0.030 0.000 2.387 315 L HA 0.313 4.654 4.340 0.000 0.000 0.266 315 L C 1.099 177.982 176.870 0.021 0.000 1.059 315 L CA -0.913 53.948 54.840 0.036 0.000 0.801 315 L CB 1.430 43.527 42.059 0.065 0.000 1.223 315 L HN 0.475 nan 8.230 nan 0.000 0.456 316 V N -0.298 119.633 119.914 0.028 0.000 2.951 316 V HA 0.001 4.122 4.120 0.000 0.000 0.255 316 V C 0.682 176.782 176.094 0.010 0.000 1.088 316 V CA 1.085 63.398 62.300 0.021 0.000 1.109 316 V CB -0.456 31.385 31.823 0.031 0.000 0.724 316 V HN 0.714 nan 8.190 nan 0.000 0.471 317 E N -0.542 119.662 120.200 0.007 0.000 2.299 317 E HA 0.391 4.741 4.350 0.000 0.000 0.265 317 E C -0.638 175.945 176.600 -0.028 0.000 0.911 317 E CA -0.737 55.660 56.400 -0.006 0.000 0.789 317 E CB 1.675 31.375 29.700 0.001 0.000 1.246 317 E HN 0.355 nan 8.360 nan 0.000 0.427 318 E N 0.573 120.749 120.200 -0.040 0.000 2.452 318 E HA 0.014 4.365 4.350 0.000 0.000 0.261 318 E C -0.507 176.038 176.600 -0.092 0.000 0.987 318 E CA -0.021 56.337 56.400 -0.071 0.000 0.926 318 E CB 0.715 30.379 29.700 -0.061 0.000 0.934 318 E HN 0.115 nan 8.360 nan 0.000 0.452 319 V N 4.980 124.797 119.914 -0.162 0.000 2.055 319 V HA 0.050 4.170 4.120 0.000 0.000 0.248 319 V C 1.169 177.154 176.094 -0.183 0.000 1.476 319 V CA 0.502 62.678 62.300 -0.207 0.000 1.417 319 V CB -0.361 31.192 31.823 -0.451 0.000 1.465 319 V HN 0.624 nan 8.190 nan 0.000 0.502 320 R N 2.392 122.824 120.500 -0.112 0.000 2.119 320 R HA 0.300 4.640 4.340 0.000 0.000 0.202 320 R C 1.509 177.766 176.300 -0.071 0.000 1.114 320 R CA 0.660 56.701 56.100 -0.098 0.000 1.089 320 R CB 0.059 30.323 30.300 -0.060 0.000 1.000 320 R HN 0.695 nan 8.270 nan 0.000 0.487 321 G N 0.777 109.562 108.800 -0.025 0.000 2.690 321 G HA2 -0.132 3.828 3.960 0.000 0.000 0.239 321 G HA3 -0.132 3.828 3.960 0.000 0.000 0.239 321 G C 0.200 175.126 174.900 0.044 0.000 1.233 321 G CA -0.207 44.905 45.100 0.020 0.000 0.847 321 G HN 0.273 nan 8.290 nan 0.000 0.588 322 K N 0.045 120.519 120.400 0.124 0.000 2.097 322 K HA -0.115 4.205 4.320 0.000 0.000 0.205 322 K C 2.313 179.011 176.600 0.164 0.000 1.050 322 K CA 1.796 58.216 56.287 0.222 0.000 0.938 322 K CB -0.124 32.554 32.500 0.296 0.000 0.718 322 K HN 0.774 nan 8.250 nan 0.000 0.442 323 E N 0.661 120.922 120.200 0.102 0.000 2.150 323 E HA -0.173 4.177 4.350 0.000 0.000 0.193 323 E C 1.618 178.270 176.600 0.086 0.000 0.985 323 E CA 1.071 57.520 56.400 0.082 0.000 0.814 323 E CB 0.026 29.759 29.700 0.053 0.000 0.752 323 E HN 0.232 nan 8.360 nan 0.000 0.466 324 K N 0.538 120.980 120.400 0.070 0.000 2.116 324 K HA 0.039 4.359 4.320 0.000 0.000 0.203 324 K C 2.242 178.899 176.600 0.095 0.000 1.052 324 K CA 0.877 57.205 56.287 0.067 0.000 0.952 324 K CB -0.078 32.437 32.500 0.024 0.000 0.729 324 K HN 0.154 nan 8.250 nan 0.000 0.446 325 L N 1.005 122.266 121.223 0.063 0.000 2.131 325 L HA -0.203 4.137 4.340 0.000 0.000 0.210 325 L C 2.379 179.356 176.870 0.179 0.000 1.092 325 L CA 1.101 55.985 54.840 0.073 0.000 0.759 325 L CB -0.144 41.888 42.059 -0.046 0.000 0.903 325 L HN 0.212 nan 8.230 nan 0.000 0.435 326 E N 0.527 120.834 120.200 0.179 0.000 2.016 326 E HA -0.263 4.087 4.350 0.000 0.000 0.190 326 E C 2.026 178.719 176.600 0.155 0.000 0.985 326 E CA 1.395 57.904 56.400 0.181 0.000 0.802 326 E CB 0.012 29.812 29.700 0.166 0.000 0.762 326 E HN 0.198 nan 8.360 nan 0.000 0.448 327 K N -0.004 120.480 120.400 0.140 0.000 2.113 327 K HA -0.209 4.111 4.320 0.000 0.000 0.208 327 K C 1.942 178.633 176.600 0.151 0.000 1.047 327 K CA 1.799 58.161 56.287 0.126 0.000 0.928 327 K CB -0.818 31.751 32.500 0.115 0.000 0.716 327 K HN 0.248 nan 8.250 nan 0.000 0.446 328 F N 1.415 121.391 119.950 0.043 0.000 2.146 328 F HA -0.124 4.403 4.527 0.000 0.000 0.298 328 F C 2.215 178.042 175.800 0.045 0.000 1.096 328 F CA 1.845 59.865 58.000 0.032 0.000 1.275 328 F CB -0.559 38.444 39.000 0.004 0.000 1.008 328 F HN 0.266 nan 8.300 nan 0.000 0.480 329 S N -0.434 115.363 115.700 0.162 0.000 2.423 329 S HA -0.169 4.301 4.470 0.000 0.000 0.231 329 S C 1.794 176.407 174.600 0.021 0.000 1.014 329 S CA 1.088 59.337 58.200 0.082 0.000 0.965 329 S CB -0.618 62.666 63.200 0.141 0.000 0.785 329 S HN 0.450 nan 8.310 nan 0.000 0.495 330 E N 1.512 121.739 120.200 0.046 0.000 2.160 330 E HA -0.037 4.313 4.350 0.000 0.000 0.195 330 E C 1.831 178.472 176.600 0.069 0.000 0.991 330 E CA 1.065 57.512 56.400 0.078 0.000 0.810 330 E CB -0.432 29.308 29.700 0.067 0.000 0.742 330 E HN 0.673 nan 8.360 nan 0.000 0.466 331 M N 0.123 119.699 119.600 -0.040 0.000 2.686 331 M HA -0.002 4.478 4.480 0.000 0.000 0.246 331 M C 1.833 178.087 176.300 -0.078 0.000 1.096 331 M CA 0.434 55.703 55.300 -0.050 0.000 1.076 331 M CB 0.047 32.559 32.600 -0.146 0.000 1.504 331 M HN 0.016 nan 8.290 nan 0.000 0.524 332 L N -1.200 119.970 121.223 -0.088 0.000 2.418 332 L HA -0.019 4.322 4.340 0.000 0.000 0.218 332 L C 1.965 178.816 176.870 -0.031 0.000 1.125 332 L CA 0.372 55.175 54.840 -0.062 0.000 0.835 332 L CB 0.070 42.101 42.059 -0.046 0.000 0.953 332 L HN 0.183 nan 8.230 nan 0.000 0.454 333 V N -2.398 117.504 119.914 -0.020 0.000 3.548 333 V HA 0.179 4.299 4.120 0.000 0.000 0.279 333 V C -0.035 175.885 176.094 -0.290 0.000 1.446 333 V CA -0.106 62.127 62.300 -0.111 0.000 1.023 333 V CB 0.265 32.039 31.823 -0.082 0.000 0.820 333 V HN 0.311 nan 8.190 nan 0.000 0.438 334 H N 1.613 120.681 119.070 -0.003 0.000 2.953 334 H HA 0.378 4.934 4.556 0.000 0.000 0.290 334 H C -2.674 172.655 175.328 0.002 0.000 1.113 334 H CA -1.727 54.320 56.048 -0.002 0.000 1.454 334 H CB 1.464 31.224 29.762 -0.004 0.000 1.525 334 H HN 0.259 nan 8.280 nan 0.000 0.505 335 P HA -0.172 nan 4.420 nan 0.000 0.261 335 P C -0.101 177.235 177.300 0.060 0.000 1.165 335 P CA 0.547 63.685 63.100 0.064 0.000 0.759 335 P CB 0.196 31.917 31.700 0.035 0.000 0.772 336 Y N 5.070 125.332 120.300 -0.063 0.000 2.497 336 Y HA 0.330 4.880 4.550 0.000 0.000 0.334 336 Y C 0.053 175.794 175.900 -0.265 0.000 1.199 336 Y CA 0.035 58.053 58.100 -0.136 0.000 1.425 336 Y CB 0.559 38.950 38.460 -0.115 0.000 1.291 336 Y HN 0.245 nan 8.280 nan 0.000 0.562 337 V N 4.696 124.004 119.914 -1.010 0.000 2.760 337 V HA 0.580 4.700 4.120 0.000 0.000 0.309 337 V C -2.380 173.064 176.094 -1.084 0.000 1.077 337 V CA -2.253 59.520 62.300 -0.878 0.000 0.910 337 V CB 0.843 32.413 31.823 -0.420 0.000 1.008 337 V HN 0.781 nan 8.190 nan 0.000 0.424 338 P HA 0.000 nan 4.420 nan 0.000 0.216 338 P CA 0.000 62.876 63.100 -0.374 0.000 0.800 338 P CB 0.000 31.605 31.700 -0.159 0.000 0.726