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 3a75_1_C DATA FIRST_RESID 38 DATA SEQUENCE YKQVDVGKDG MVATAHPLAS EIGADVLKKG GNAIDAAVAI QFALNVTEPM DATA SEQUENCE MSGIGGGGFM MVYDGKTKDT TIIDSRERAP AGATPDMFLD ENGKAIPFSE DATA SEQUENCE RVTKGTAVGV PGTLKGLEEA LDKWGTRSMK QLITPSIKLA EKGFPIDSVL DATA SEQUENCE AEAISDYQEK LSRTAAKDVF LPNGEPLKEG DTLIQKDLAK TFKLIRSKGT DATA SEQUENCE DAFYKGKFAK TLSDTVQDFG GSMTEKDLEN YDITIDEPIW GDYQGYQIAT DATA SEQUENCE TPPPSSGGIF LLQMLKILDH FNLSQYDVRS WEKYQLLAET MHLSYADRAS DATA SEQUENCE YAGDPEFVNV PLKGLLHPDY IKERQQLINL DQVNKKPKAG DPWKYQEGSA DATA SEQUENCE NYKQVEQP 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 38 Y HA 0.000 nan 4.550 nan 0.000 0.201 38 Y C 0.000 175.900 175.900 -0.001 0.000 1.272 38 Y CA 0.000 58.102 58.100 0.003 0.000 1.940 38 Y CB 0.000 38.465 38.460 0.008 0.000 1.050 39 K N 1.111 121.595 120.400 0.140 0.000 2.166 39 K HA 0.399 4.719 4.320 -0.001 0.000 0.245 39 K C 0.088 176.701 176.600 0.021 0.000 0.967 39 K CA -0.566 55.743 56.287 0.036 0.000 0.863 39 K CB 1.460 34.002 32.500 0.070 0.000 1.107 39 K HN 0.215 nan 8.250 nan 0.000 0.436 40 Q N 0.217 120.016 119.800 -0.003 0.000 2.319 40 Q HA 0.124 4.463 4.340 -0.001 0.000 0.202 40 Q C -0.454 175.549 176.000 0.005 0.000 0.896 40 Q CA 0.205 56.007 55.803 -0.002 0.000 0.942 40 Q CB 0.842 29.571 28.738 -0.014 0.000 1.083 40 Q HN 0.201 nan 8.270 nan 0.000 0.510 41 V N 0.796 120.717 119.914 0.011 0.000 2.623 41 V HA 0.383 4.502 4.120 -0.001 0.000 0.304 41 V C -1.030 175.077 176.094 0.022 0.000 1.054 41 V CA -0.844 61.463 62.300 0.012 0.000 0.882 41 V CB 2.261 34.089 31.823 0.008 0.000 1.002 41 V HN -0.036 nan 8.190 nan 0.000 0.424 42 D N 2.048 122.461 120.400 0.021 0.000 2.579 42 D HA 0.795 5.434 4.640 -0.001 0.000 0.257 42 D C -1.362 174.949 176.300 0.018 0.000 1.176 42 D CA -0.173 53.842 54.000 0.025 0.000 0.914 42 D CB 2.727 43.547 40.800 0.032 0.000 1.431 42 D HN 0.305 nan 8.370 nan 0.000 0.454 43 V N -0.192 119.733 119.914 0.018 0.000 3.001 43 V HA 1.017 5.136 4.120 -0.001 0.000 0.314 43 V C 0.346 176.448 176.094 0.014 0.000 1.099 43 V CA -0.477 61.832 62.300 0.014 0.000 0.989 43 V CB 1.960 33.790 31.823 0.013 0.000 1.040 43 V HN 0.718 nan 8.190 nan 0.000 0.434 44 G N 0.927 109.733 108.800 0.011 0.000 2.673 44 G HA2 0.501 4.460 3.960 -0.001 0.000 0.292 44 G HA3 0.501 4.460 3.960 -0.001 0.000 0.292 44 G C -0.537 174.369 174.900 0.010 0.000 1.450 44 G CA -0.345 44.762 45.100 0.011 0.000 0.837 44 G HN 0.619 nan 8.290 nan 0.000 0.505 45 K N -0.768 119.637 120.400 0.009 0.000 2.354 45 K HA 0.165 4.484 4.320 -0.001 0.000 0.194 45 K C 0.199 176.805 176.600 0.010 0.000 1.045 45 K CA 0.323 56.616 56.287 0.009 0.000 1.026 45 K CB 0.417 32.922 32.500 0.009 0.000 0.866 45 K HN 0.401 nan 8.250 nan 0.000 0.530 46 D N 0.190 120.596 120.400 0.010 0.000 2.535 46 D HA 0.194 4.834 4.640 -0.001 0.000 0.229 46 D C 0.040 176.346 176.300 0.011 0.000 1.238 46 D CA 0.182 54.188 54.000 0.011 0.000 0.824 46 D CB 1.482 42.288 40.800 0.010 0.000 1.045 46 D HN 0.328 nan 8.370 nan 0.000 0.500 47 G N 1.029 109.835 108.800 0.010 0.000 2.359 47 G HA2 0.310 4.269 3.960 -0.001 0.000 0.314 47 G HA3 0.310 4.269 3.960 -0.001 0.000 0.314 47 G C -1.867 173.039 174.900 0.009 0.000 1.364 47 G CA -0.933 44.172 45.100 0.009 0.000 0.978 47 G HN 0.008 nan 8.290 nan 0.000 0.615 48 M N -0.079 119.525 119.600 0.007 0.000 2.471 48 M HA 0.745 5.224 4.480 -0.001 0.000 0.284 48 M C -1.131 175.172 176.300 0.006 0.000 1.203 48 M CA -0.766 54.539 55.300 0.007 0.000 0.915 48 M CB 2.182 34.785 32.600 0.006 0.000 1.734 48 M HN 2.050 nan 8.290 nan 0.000 0.485 49 V N 1.204 121.123 119.914 0.009 0.000 2.789 49 V HA 1.098 5.218 4.120 -0.001 0.000 0.311 49 V C -1.274 174.828 176.094 0.012 0.000 1.073 49 V CA -0.357 61.949 62.300 0.009 0.000 0.921 49 V CB 1.448 33.279 31.823 0.012 0.000 1.009 49 V HN 1.418 nan 8.190 nan 0.000 0.426 50 A N 3.154 125.980 122.820 0.009 0.000 2.414 50 A HA 0.942 5.262 4.320 -0.001 0.000 0.286 50 A C -0.185 177.407 177.584 0.013 0.000 1.073 50 A CA 0.123 52.167 52.037 0.011 0.000 0.727 50 A CB 1.448 20.451 19.000 0.005 0.000 1.215 50 A HN 1.981 nan 8.150 nan 0.000 0.430 51 T N -1.659 112.909 114.554 0.022 0.000 2.838 51 T HA 0.689 5.038 4.350 -0.001 0.000 0.292 51 T C 0.768 175.490 174.700 0.037 0.000 1.113 51 T CA 0.165 62.282 62.100 0.029 0.000 1.008 51 T CB 1.531 70.422 68.868 0.039 0.000 1.259 51 T HN 1.488 nan 8.240 nan 0.000 0.520 52 A N 0.023 122.873 122.820 0.049 0.000 2.208 52 A HA 0.200 4.519 4.320 -0.001 0.000 0.209 52 A C 0.859 178.489 177.584 0.077 0.000 1.161 52 A CA 0.515 52.582 52.037 0.051 0.000 0.782 52 A CB -0.694 18.338 19.000 0.053 0.000 0.816 52 A HN 0.870 nan 8.150 nan 0.000 0.477 53 H N -1.218 117.855 119.070 0.006 0.000 2.689 53 H HA 0.325 4.881 4.556 -0.001 0.000 0.346 53 H C -2.542 172.790 175.328 0.005 0.000 1.037 53 H CA -1.732 54.319 56.048 0.005 0.000 1.234 53 H CB 2.297 32.048 29.762 -0.018 0.000 1.572 53 H HN -0.064 nan 8.280 nan 0.000 0.524 54 P HA -0.105 nan 4.420 nan 0.000 0.216 54 P C 1.650 179.059 177.300 0.182 0.000 1.150 54 P CA 0.973 64.126 63.100 0.087 0.000 0.837 54 P CB 0.423 32.143 31.700 0.033 0.000 0.786 55 L N -1.660 119.784 121.223 0.369 0.000 2.291 55 L HA -0.068 4.272 4.340 -0.001 0.000 0.214 55 L C 2.356 179.258 176.870 0.053 0.000 1.120 55 L CA 1.192 56.123 54.840 0.153 0.000 0.799 55 L CB -0.928 41.140 42.059 0.015 0.000 0.925 55 L HN -0.023 nan 8.230 nan 0.000 0.446 56 A N -0.700 122.164 122.820 0.073 0.000 1.903 56 A HA -0.091 4.228 4.320 -0.001 0.000 0.213 56 A C 2.500 180.108 177.584 0.041 0.000 1.185 56 A CA 1.352 53.401 52.037 0.021 0.000 0.628 56 A CB -0.367 18.643 19.000 0.017 0.000 0.830 56 A HN 0.281 nan 8.150 nan 0.000 0.446 57 S N -0.131 115.606 115.700 0.063 0.000 2.370 57 S HA -0.162 4.308 4.470 -0.001 0.000 0.226 57 S C 1.929 176.554 174.600 0.041 0.000 1.033 57 S CA 1.311 59.539 58.200 0.048 0.000 1.011 57 S CB -0.276 62.957 63.200 0.054 0.000 0.852 57 S HN 0.582 nan 8.310 nan 0.000 0.457 58 E N 0.834 121.064 120.200 0.049 0.000 2.038 58 E HA -0.123 4.227 4.350 -0.001 0.000 0.195 58 E C 2.082 178.699 176.600 0.027 0.000 1.000 58 E CA 0.980 57.403 56.400 0.038 0.000 0.803 58 E CB -0.314 29.412 29.700 0.044 0.000 0.750 58 E HN 0.474 nan 8.360 nan 0.000 0.448 59 I N 0.555 121.140 120.570 0.026 0.000 2.151 59 I HA -0.258 3.912 4.170 -0.001 0.000 0.243 59 I C 2.522 178.652 176.117 0.023 0.000 1.080 59 I CA 1.446 62.760 61.300 0.022 0.000 1.339 59 I CB -0.521 37.492 38.000 0.021 0.000 1.039 59 I HN 0.167 nan 8.210 nan 0.000 0.409 60 G N 0.076 108.889 108.800 0.022 0.000 2.418 60 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 60 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 60 G C 1.817 176.727 174.900 0.017 0.000 1.158 60 G CA 0.764 45.875 45.100 0.019 0.000 0.771 60 G HN 0.510 nan 8.290 nan 0.000 0.545 61 A N 0.891 123.722 122.820 0.018 0.000 1.969 61 A HA -0.010 4.309 4.320 -0.001 0.000 0.218 61 A C 2.064 179.657 177.584 0.014 0.000 1.169 61 A CA 2.012 54.058 52.037 0.016 0.000 0.635 61 A CB -0.301 18.709 19.000 0.017 0.000 0.810 61 A HN 0.263 nan 8.150 nan 0.000 0.445 62 D N -0.350 120.059 120.400 0.015 0.000 2.144 62 D HA -0.074 4.566 4.640 -0.001 0.000 0.200 62 D C 2.043 178.351 176.300 0.013 0.000 0.978 62 D CA 1.165 55.173 54.000 0.013 0.000 0.833 62 D CB -0.277 40.531 40.800 0.013 0.000 0.961 62 D HN 0.217 nan 8.370 nan 0.000 0.470 63 V N 1.006 120.930 119.914 0.016 0.000 2.295 63 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 63 V C 2.609 178.712 176.094 0.015 0.000 1.049 63 V CA 1.150 63.460 62.300 0.017 0.000 1.024 63 V CB -0.466 31.370 31.823 0.022 0.000 0.648 63 V HN 0.218 nan 8.190 nan 0.000 0.447 64 L N -0.295 120.936 121.223 0.014 0.000 2.083 64 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 64 L C 2.567 179.444 176.870 0.011 0.000 1.083 64 L CA 1.814 56.661 54.840 0.012 0.000 0.752 64 L CB -0.629 41.436 42.059 0.011 0.000 0.899 64 L HN 0.320 nan 8.230 nan 0.000 0.433 65 K N 0.843 121.249 120.400 0.010 0.000 2.097 65 K HA -0.141 4.179 4.320 -0.001 0.000 0.205 65 K C 1.507 178.112 176.600 0.009 0.000 1.050 65 K CA 1.200 57.492 56.287 0.009 0.000 0.938 65 K CB 0.153 32.657 32.500 0.007 0.000 0.718 65 K HN 0.178 nan 8.250 nan 0.000 0.442 66 K N -0.579 119.827 120.400 0.010 0.000 2.504 66 K HA 0.072 4.392 4.320 -0.001 0.000 0.199 66 K C 0.429 177.036 176.600 0.011 0.000 1.028 66 K CA 0.489 56.782 56.287 0.010 0.000 1.164 66 K CB 0.620 33.126 32.500 0.010 0.000 0.877 66 K HN 0.466 nan 8.250 nan 0.000 0.508 67 G N 0.695 109.503 108.800 0.012 0.000 2.175 67 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.244 67 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.244 67 G C 0.436 175.346 174.900 0.017 0.000 0.982 67 G CA -0.258 44.850 45.100 0.014 0.000 0.641 67 G HN 0.515 nan 8.290 nan 0.000 0.527 68 G N 0.142 108.953 108.800 0.018 0.000 2.599 68 G HA2 0.551 4.511 3.960 -0.001 0.000 0.264 68 G HA3 0.551 4.511 3.960 -0.001 0.000 0.264 68 G C 0.319 175.231 174.900 0.021 0.000 1.200 68 G CA 0.411 45.524 45.100 0.022 0.000 0.896 68 G HN 1.001 nan 8.290 nan 0.000 0.536 69 N N -1.230 117.485 118.700 0.025 0.000 2.538 69 N HA 0.469 5.208 4.740 -0.001 0.000 0.292 69 N C 1.287 176.800 175.510 0.005 0.000 1.262 69 N CA -0.006 53.054 53.050 0.017 0.000 0.976 69 N CB 0.861 39.363 38.487 0.025 0.000 1.161 69 N HN 0.451 nan 8.380 nan 0.000 0.598 70 A N -0.255 122.555 122.820 -0.016 0.000 1.978 70 A HA -0.086 4.233 4.320 -0.001 0.000 0.220 70 A C 1.943 179.504 177.584 -0.038 0.000 1.170 70 A CA 1.317 53.335 52.037 -0.031 0.000 0.636 70 A CB -0.997 17.971 19.000 -0.053 0.000 0.810 70 A HN 0.611 nan 8.150 nan 0.000 0.448 71 I N 0.409 120.955 120.570 -0.040 0.000 2.233 71 I HA -0.165 4.004 4.170 -0.001 0.000 0.243 71 I C 1.822 177.957 176.117 0.030 0.000 1.093 71 I CA 1.381 62.674 61.300 -0.013 0.000 1.380 71 I CB -0.468 37.563 38.000 0.051 0.000 1.067 71 I HN 0.211 nan 8.210 nan 0.000 0.413 72 D N 1.043 121.470 120.400 0.044 0.000 2.116 72 D HA -0.225 4.414 4.640 -0.001 0.000 0.193 72 D C 2.304 178.624 176.300 0.032 0.000 0.998 72 D CA 1.869 55.897 54.000 0.047 0.000 0.836 72 D CB -0.391 40.435 40.800 0.043 0.000 0.951 72 D HN 0.379 nan 8.370 nan 0.000 0.449 73 A N 1.105 123.936 122.820 0.018 0.000 1.902 73 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 73 A C 2.346 179.931 177.584 0.002 0.000 1.181 73 A CA 2.295 54.340 52.037 0.013 0.000 0.623 73 A CB -0.692 18.312 19.000 0.007 0.000 0.818 73 A HN 0.252 nan 8.150 nan 0.000 0.443 74 A N -0.665 122.148 122.820 -0.013 0.000 1.933 74 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 74 A C 2.208 179.759 177.584 -0.056 0.000 1.175 74 A CA 1.702 53.720 52.037 -0.033 0.000 0.628 74 A CB -0.804 18.170 19.000 -0.043 0.000 0.814 74 A HN 0.366 nan 8.150 nan 0.000 0.444 75 V N -0.269 119.619 119.914 -0.042 0.000 2.358 75 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 75 V C 3.032 179.094 176.094 -0.054 0.000 1.047 75 V CA 1.858 64.103 62.300 -0.092 0.000 1.035 75 V CB -1.073 30.745 31.823 -0.010 0.000 0.658 75 V HN 0.607 nan 8.190 nan 0.000 0.452 76 A N -0.252 122.601 122.820 0.056 0.000 1.930 76 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 76 A C 2.165 179.793 177.584 0.073 0.000 1.175 76 A CA 1.682 53.795 52.037 0.127 0.000 0.627 76 A CB -0.504 18.545 19.000 0.081 0.000 0.815 76 A HN 0.504 nan 8.150 nan 0.000 0.443 77 I N -0.698 119.877 120.570 0.009 0.000 2.226 77 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 77 I C 2.733 178.827 176.117 -0.038 0.000 1.100 77 I CA 1.715 63.012 61.300 -0.006 0.000 1.374 77 I CB -0.207 37.786 38.000 -0.012 0.000 1.057 77 I HN 0.432 nan 8.210 nan 0.000 0.413 78 Q N 1.186 120.913 119.800 -0.121 0.000 2.084 78 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 78 Q C 1.990 177.883 176.000 -0.177 0.000 0.978 78 Q CA 2.042 57.726 55.803 -0.199 0.000 0.844 78 Q CB -0.550 27.981 28.738 -0.346 0.000 0.898 78 Q HN 0.492 nan 8.270 nan 0.000 0.426 79 F N -0.182 119.719 119.950 -0.082 0.000 2.171 79 F HA -0.125 4.402 4.527 -0.001 0.000 0.300 79 F C 2.255 178.073 175.800 0.029 0.000 1.090 79 F CA 0.663 58.604 58.000 -0.099 0.000 1.293 79 F CB -0.333 38.513 39.000 -0.257 0.000 1.013 79 F HN 0.254 nan 8.300 nan 0.000 0.486 80 A N 0.086 122.996 122.820 0.150 0.000 1.897 80 A HA -0.082 4.238 4.320 -0.001 0.000 0.215 80 A C 2.128 179.688 177.584 -0.040 0.000 1.181 80 A CA 1.071 53.135 52.037 0.045 0.000 0.620 80 A CB -0.911 18.088 19.000 -0.002 0.000 0.821 80 A HN 0.376 nan 8.150 nan 0.000 0.443 81 L N -0.108 121.102 121.223 -0.021 0.000 2.141 81 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 81 L C 2.499 179.372 176.870 0.005 0.000 1.094 81 L CA 1.090 55.907 54.840 -0.039 0.000 0.763 81 L CB -0.522 41.530 42.059 -0.012 0.000 0.908 81 L HN 0.454 nan 8.230 nan 0.000 0.437 82 N N 0.232 118.981 118.700 0.080 0.000 2.149 82 N HA -0.153 4.587 4.740 -0.001 0.000 0.188 82 N C 1.643 177.241 175.510 0.148 0.000 1.019 82 N CA 1.489 54.635 53.050 0.159 0.000 0.857 82 N CB 0.079 38.770 38.487 0.340 0.000 0.997 82 N HN 0.117 nan 8.380 nan 0.000 0.426 83 V N -0.020 119.965 119.914 0.118 0.000 2.446 83 V HA -0.084 4.035 4.120 -0.001 0.000 0.244 83 V C 2.335 178.403 176.094 -0.042 0.000 1.039 83 V CA 2.056 64.387 62.300 0.051 0.000 1.045 83 V CB -0.719 31.117 31.823 0.023 0.000 0.681 83 V HN 0.574 nan 8.190 nan 0.000 0.459 84 T N -2.640 111.720 114.554 -0.323 0.000 3.057 84 T HA 0.070 4.420 4.350 -0.001 0.000 0.254 84 T C 0.944 175.534 174.700 -0.184 0.000 1.094 84 T CA 0.545 62.234 62.100 -0.684 0.000 1.088 84 T CB 0.178 68.130 68.868 -1.527 0.000 0.934 84 T HN 0.479 nan 8.240 nan 0.000 0.497 85 E N 1.953 122.123 120.200 -0.050 0.000 4.052 85 E HA 0.227 4.576 4.350 -0.001 0.000 0.219 85 E C -1.874 174.764 176.600 0.062 0.000 1.166 85 E CA -1.921 54.525 56.400 0.076 0.000 1.338 85 E CB 1.169 30.916 29.700 0.079 0.000 1.212 85 E HN 0.228 nan 8.360 nan 0.000 0.432 86 P HA -0.186 nan 4.420 nan 0.000 0.221 86 P C 1.475 178.776 177.300 0.000 0.000 1.145 86 P CA 0.889 64.048 63.100 0.099 0.000 0.795 86 P CB -0.085 31.760 31.700 0.242 0.000 0.775 87 M N -3.451 116.113 119.600 -0.060 0.000 2.492 87 M HA 0.067 4.547 4.480 -0.001 0.000 0.262 87 M C 1.325 177.566 176.300 -0.097 0.000 1.090 87 M CA 1.535 56.748 55.300 -0.144 0.000 1.110 87 M CB -1.080 31.405 32.600 -0.192 0.000 1.407 87 M HN -0.119 nan 8.290 nan 0.000 0.470 88 M N 0.989 120.567 119.600 -0.037 0.000 2.516 88 M HA 0.234 4.714 4.480 -0.001 0.000 0.259 88 M C 0.697 176.992 176.300 -0.009 0.000 1.146 88 M CA 0.592 55.879 55.300 -0.021 0.000 1.122 88 M CB -0.251 32.352 32.600 0.004 0.000 1.341 88 M HN 0.601 nan 8.290 nan 0.000 0.478 89 S N -1.547 114.154 115.700 0.002 0.000 2.656 89 S HA 0.771 5.240 4.470 -0.001 0.000 0.265 89 S C -0.360 174.255 174.600 0.024 0.000 1.132 89 S CA -0.117 58.086 58.200 0.005 0.000 0.819 89 S CB 1.345 64.543 63.200 -0.003 0.000 1.119 89 S HN 0.583 nan 8.310 nan 0.000 0.476 90 G N 0.019 108.829 108.800 0.018 0.000 2.356 90 G HA2 0.314 4.274 3.960 -0.001 0.000 0.288 90 G HA3 0.314 4.274 3.960 -0.001 0.000 0.288 90 G C 0.292 175.211 174.900 0.031 0.000 1.302 90 G CA -0.296 44.837 45.100 0.056 0.000 0.887 90 G HN 1.830 nan 8.290 nan 0.000 0.521 91 I N -1.145 119.479 120.570 0.090 0.000 3.176 91 I HA 0.278 4.447 4.170 -0.001 0.000 0.275 91 I C 1.683 177.860 176.117 0.099 0.000 1.298 91 I CA 1.342 62.637 61.300 -0.007 0.000 1.445 91 I CB -0.148 37.839 38.000 -0.022 0.000 1.075 91 I HN 0.559 nan 8.210 nan 0.000 0.482 92 G N 1.072 109.982 108.800 0.182 0.000 3.088 92 G HA2 0.466 4.425 3.960 -0.001 0.000 0.212 92 G HA3 0.466 4.425 3.960 -0.001 0.000 0.212 92 G C 0.512 175.469 174.900 0.096 0.000 1.173 92 G CA 0.349 45.574 45.100 0.208 0.000 0.779 92 G HN 0.580 nan 8.290 nan 0.000 0.540 93 G N -1.227 107.596 108.800 0.038 0.000 3.264 93 G HA2 0.704 4.664 3.960 -0.001 0.000 0.168 93 G HA3 0.704 4.664 3.960 -0.001 0.000 0.168 93 G C -0.364 174.512 174.900 -0.041 0.000 1.145 93 G CA -0.162 44.938 45.100 0.001 0.000 0.855 93 G HN 0.735 nan 8.290 nan 0.000 0.629 94 G N -2.706 106.066 108.800 -0.047 0.000 2.608 94 G HA2 0.732 4.691 3.960 -0.001 0.000 0.291 94 G HA3 0.732 4.691 3.960 -0.001 0.000 0.291 94 G C -0.659 174.187 174.900 -0.089 0.000 1.425 94 G CA 0.469 45.518 45.100 -0.085 0.000 0.787 94 G HN 1.701 nan 8.290 nan 0.000 0.484 95 G N -1.735 106.958 108.800 -0.178 0.000 2.554 95 G HA2 0.624 4.583 3.960 -0.001 0.000 0.306 95 G HA3 0.624 4.583 3.960 -0.001 0.000 0.306 95 G C -2.170 172.519 174.900 -0.351 0.000 1.320 95 G CA -0.688 44.332 45.100 -0.134 0.000 0.800 95 G HN 0.661 nan 8.290 nan 0.000 0.481 96 F N 0.573 120.530 119.950 0.012 0.000 2.539 96 F HA 0.600 5.127 4.527 -0.001 0.000 0.328 96 F C 0.263 176.063 175.800 -0.000 0.000 1.148 96 F CA -0.554 57.454 58.000 0.014 0.000 0.940 96 F CB 2.510 41.515 39.000 0.009 0.000 1.194 96 F HN 0.302 nan 8.300 nan 0.000 0.438 97 M N 6.314 125.996 119.600 0.137 0.000 2.044 97 M HA 0.446 4.926 4.480 -0.001 0.000 0.333 97 M C -1.219 175.123 176.300 0.070 0.000 1.004 97 M CA -0.495 54.849 55.300 0.074 0.000 0.954 97 M CB 1.028 33.654 32.600 0.044 0.000 1.468 97 M HN 0.752 nan 8.290 nan 0.000 0.414 98 M N 5.955 125.575 119.600 0.034 0.000 2.144 98 M HA 0.484 4.964 4.480 -0.001 0.000 0.356 98 M C -1.820 174.443 176.300 -0.061 0.000 1.217 98 M CA -0.393 54.909 55.300 0.003 0.000 1.087 98 M CB 0.830 33.416 32.600 -0.024 0.000 1.609 98 M HN 0.503 nan 8.290 nan 0.000 0.467 99 V N 6.076 125.928 119.914 -0.102 0.000 2.531 99 V HA 0.313 4.432 4.120 -0.001 0.000 0.301 99 V C -1.403 174.593 176.094 -0.164 0.000 1.034 99 V CA -0.718 61.411 62.300 -0.284 0.000 0.865 99 V CB 1.527 32.857 31.823 -0.822 0.000 0.995 99 V HN 0.751 nan 8.190 nan 0.000 0.424 100 Y N 3.816 123.984 120.300 -0.220 0.000 2.353 100 Y HA 0.507 5.057 4.550 -0.001 0.000 0.340 100 Y C -0.002 175.797 175.900 -0.168 0.000 0.972 100 Y CA -0.701 57.334 58.100 -0.108 0.000 1.157 100 Y CB 1.198 39.634 38.460 -0.039 0.000 1.157 100 Y HN 0.711 nan 8.280 nan 0.000 0.495 101 D N 4.457 124.448 120.400 -0.682 0.000 2.380 101 D HA 0.162 4.802 4.640 -0.001 0.000 0.230 101 D C 1.108 177.011 176.300 -0.661 0.000 1.154 101 D CA 0.328 54.027 54.000 -0.501 0.000 0.859 101 D CB 1.463 42.197 40.800 -0.110 0.000 1.045 101 D HN 0.988 nan 8.370 nan 0.000 0.495 102 G N 3.955 112.527 108.800 -0.379 0.000 2.448 102 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 102 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 102 G C 1.425 176.267 174.900 -0.097 0.000 1.127 102 G CA 0.596 45.597 45.100 -0.165 0.000 0.766 102 G HN 0.462 nan 8.290 nan 0.000 0.552 103 K N -0.041 120.310 120.400 -0.081 0.000 2.021 103 K HA -0.038 4.282 4.320 -0.001 0.000 0.205 103 K C 2.875 179.455 176.600 -0.035 0.000 1.047 103 K CA 1.624 57.896 56.287 -0.025 0.000 0.943 103 K CB -0.387 32.122 32.500 0.014 0.000 0.725 103 K HN 0.404 nan 8.250 nan 0.000 0.439 104 T N -1.247 113.276 114.554 -0.052 0.000 3.054 104 T HA 0.047 4.397 4.350 -0.001 0.000 0.259 104 T C 0.660 175.323 174.700 -0.062 0.000 1.092 104 T CA 0.250 62.330 62.100 -0.033 0.000 1.121 104 T CB 0.112 68.984 68.868 0.007 0.000 0.912 104 T HN 0.063 nan 8.240 nan 0.000 0.489 105 K N 0.163 120.447 120.400 -0.193 0.000 3.512 105 K HA -0.110 4.210 4.320 -0.001 0.000 0.309 105 K C -0.928 175.650 176.600 -0.037 0.000 1.350 105 K CA 1.020 57.219 56.287 -0.147 0.000 0.960 105 K CB -2.244 30.298 32.500 0.070 0.000 1.290 105 K HN 0.498 nan 8.250 nan 0.000 0.454 106 D N 1.048 121.403 120.400 -0.076 0.000 2.225 106 D HA 0.338 4.978 4.640 -0.001 0.000 0.249 106 D C -0.029 176.351 176.300 0.134 0.000 1.052 106 D CA 0.147 54.201 54.000 0.090 0.000 0.909 106 D CB 1.159 42.019 40.800 0.100 0.000 1.186 106 D HN -0.088 nan 8.370 nan 0.000 0.431 107 T N 0.973 115.715 114.554 0.314 0.000 2.797 107 T HA 0.648 4.998 4.350 -0.001 0.000 0.279 107 T C 0.083 174.929 174.700 0.243 0.000 0.991 107 T CA -0.675 61.607 62.100 0.303 0.000 0.979 107 T CB 1.341 70.447 68.868 0.398 0.000 0.943 107 T HN 0.458 nan 8.240 nan 0.000 0.444 108 T N 0.035 114.703 114.554 0.191 0.000 2.841 108 T HA 0.798 5.147 4.350 -0.001 0.000 0.296 108 T C -0.948 173.853 174.700 0.168 0.000 1.166 108 T CA -0.880 61.343 62.100 0.205 0.000 1.007 108 T CB 1.090 70.126 68.868 0.281 0.000 1.253 108 T HN 0.449 nan 8.240 nan 0.000 0.511 109 I N 1.402 122.074 120.570 0.170 0.000 2.466 109 I HA 0.381 4.551 4.170 -0.001 0.000 0.289 109 I C -0.780 175.441 176.117 0.173 0.000 1.026 109 I CA -1.251 60.146 61.300 0.162 0.000 1.078 109 I CB 1.874 39.971 38.000 0.162 0.000 1.249 109 I HN 0.504 nan 8.210 nan 0.000 0.429 110 I N 5.004 125.674 120.570 0.167 0.000 2.301 110 I HA 0.155 4.325 4.170 -0.001 0.000 0.292 110 I C 0.003 176.149 176.117 0.049 0.000 1.046 110 I CA -0.131 61.239 61.300 0.117 0.000 1.282 110 I CB 0.586 38.662 38.000 0.126 0.000 1.409 110 I HN 0.514 nan 8.210 nan 0.000 0.484 111 D N 5.082 125.488 120.400 0.010 0.000 2.396 111 D HA 0.169 4.808 4.640 -0.001 0.000 0.225 111 D C 0.563 176.756 176.300 -0.179 0.000 1.121 111 D CA -0.203 53.712 54.000 -0.141 0.000 0.853 111 D CB 1.018 41.822 40.800 0.006 0.000 1.043 111 D HN 0.486 nan 8.370 nan 0.000 0.500 112 S N 3.119 118.658 115.700 -0.269 0.000 2.588 112 S HA 0.181 4.650 4.470 -0.001 0.000 0.245 112 S C 0.757 175.295 174.600 -0.103 0.000 1.021 112 S CA -0.825 57.327 58.200 -0.080 0.000 1.006 112 S CB 0.124 63.292 63.200 -0.054 0.000 0.830 112 S HN 0.261 nan 8.310 nan 0.000 0.468 113 R N 2.799 123.138 120.500 -0.269 0.000 2.537 113 R HA 0.150 4.490 4.340 -0.001 0.000 0.281 113 R C -0.240 176.097 176.300 0.062 0.000 0.988 113 R CA 0.226 56.226 56.100 -0.166 0.000 1.077 113 R CB -0.322 29.882 30.300 -0.160 0.000 0.932 113 R HN 0.438 nan 8.270 nan 0.000 0.409 114 E N 2.805 123.031 120.200 0.043 0.000 2.409 114 E HA 0.168 4.518 4.350 -0.001 0.000 0.257 114 E C -0.107 176.586 176.600 0.154 0.000 1.150 114 E CA 0.312 56.753 56.400 0.068 0.000 0.942 114 E CB 0.496 30.208 29.700 0.020 0.000 0.979 114 E HN 0.402 nan 8.360 nan 0.000 0.447 115 R N 0.438 121.059 120.500 0.202 0.000 2.740 115 R HA 0.629 4.968 4.340 -0.001 0.000 0.282 115 R C -0.834 175.534 176.300 0.113 0.000 0.969 115 R CA -1.145 55.060 56.100 0.175 0.000 0.918 115 R CB 1.915 32.371 30.300 0.259 0.000 1.175 115 R HN 0.581 nan 8.270 nan 0.000 0.464 116 A N 3.477 126.332 122.820 0.057 0.000 2.425 116 A HA 0.358 4.678 4.320 -0.001 0.000 0.249 116 A C -2.048 175.565 177.584 0.049 0.000 1.084 116 A CA -1.011 51.045 52.037 0.033 0.000 0.781 116 A CB -0.254 18.735 19.000 -0.017 0.000 1.019 116 A HN 0.379 nan 8.150 nan 0.000 0.490 117 P HA 0.222 nan 4.420 nan 0.000 0.271 117 P C 0.918 178.243 177.300 0.041 0.000 1.233 117 P CA 0.464 63.596 63.100 0.052 0.000 0.789 117 P CB 0.601 32.321 31.700 0.033 0.000 0.951 118 A N 2.011 124.862 122.820 0.052 0.000 1.978 118 A HA -0.109 4.211 4.320 -0.001 0.000 0.220 118 A C 2.124 179.724 177.584 0.026 0.000 1.170 118 A CA 2.102 54.168 52.037 0.048 0.000 0.636 118 A CB -1.696 17.335 19.000 0.052 0.000 0.810 118 A HN 0.671 nan 8.150 nan 0.000 0.448 119 G N -0.976 107.833 108.800 0.014 0.000 2.744 119 G HA2 0.362 4.322 3.960 -0.001 0.000 0.211 119 G HA3 0.362 4.322 3.960 -0.001 0.000 0.211 119 G C 0.698 175.583 174.900 -0.026 0.000 1.143 119 G CA 0.590 45.688 45.100 -0.003 0.000 0.788 119 G HN 0.804 nan 8.290 nan 0.000 0.534 120 A N 0.423 123.222 122.820 -0.035 0.000 2.425 120 A HA 0.588 4.908 4.320 -0.001 0.000 0.242 120 A C 0.700 178.240 177.584 -0.073 0.000 1.077 120 A CA 0.702 52.692 52.037 -0.078 0.000 0.781 120 A CB 0.205 19.155 19.000 -0.083 0.000 1.020 120 A HN 0.648 nan 8.150 nan 0.000 0.494 121 T N -1.098 113.390 114.554 -0.109 0.000 2.903 121 T HA 0.596 4.946 4.350 -0.001 0.000 0.299 121 T C -2.345 172.301 174.700 -0.090 0.000 1.093 121 T CA -1.465 60.590 62.100 -0.076 0.000 1.002 121 T CB 1.553 70.385 68.868 -0.061 0.000 1.127 121 T HN 0.240 nan 8.240 nan 0.000 0.488 122 P HA -0.123 nan 4.420 nan 0.000 0.216 122 P C 0.578 177.868 177.300 -0.017 0.000 1.154 122 P CA 1.488 64.578 63.100 -0.016 0.000 0.865 122 P CB -0.069 31.639 31.700 0.013 0.000 0.789 123 D N -1.434 118.949 120.400 -0.030 0.000 2.427 123 D HA 0.004 4.644 4.640 -0.001 0.000 0.224 123 D C 1.323 177.581 176.300 -0.070 0.000 1.157 123 D CA -0.133 53.858 54.000 -0.016 0.000 0.828 123 D CB -1.301 39.503 40.800 0.006 0.000 0.974 123 D HN 0.273 nan 8.370 nan 0.000 0.498 124 M N -2.240 117.241 119.600 -0.198 0.000 2.446 124 M HA 0.063 4.543 4.480 -0.001 0.000 0.263 124 M C 0.173 176.271 176.300 -0.336 0.000 1.066 124 M CA 1.013 56.126 55.300 -0.312 0.000 1.087 124 M CB -0.483 31.831 32.600 -0.475 0.000 1.406 124 M HN -0.152 nan 8.290 nan 0.000 0.459 125 F N 1.620 121.576 119.950 0.009 0.000 2.660 125 F HA 0.468 4.994 4.527 -0.001 0.000 0.302 125 F C 0.296 176.105 175.800 0.015 0.000 1.103 125 F CA -0.501 57.505 58.000 0.010 0.000 1.340 125 F CB -0.215 38.794 39.000 0.014 0.000 1.048 125 F HN 0.037 nan 8.300 nan 0.000 0.551 126 L N 0.782 122.087 121.223 0.136 0.000 2.322 126 L HA 0.324 4.664 4.340 -0.001 0.000 0.279 126 L C 0.104 177.014 176.870 0.067 0.000 1.036 126 L CA -1.098 53.800 54.840 0.096 0.000 0.807 126 L CB 1.001 43.099 42.059 0.066 0.000 1.226 126 L HN 0.028 nan 8.230 nan 0.000 0.433 127 D N 0.590 121.026 120.400 0.060 0.000 2.440 127 D HA -0.020 4.620 4.640 -0.001 0.000 0.269 127 D C 0.997 177.315 176.300 0.030 0.000 1.249 127 D CA -0.477 53.549 54.000 0.043 0.000 1.055 127 D CB 0.338 41.163 40.800 0.041 0.000 1.104 127 D HN 0.689 nan 8.370 nan 0.000 0.561 128 E N -0.732 119.482 120.200 0.023 0.000 2.233 128 E HA -0.307 4.042 4.350 -0.001 0.000 0.199 128 E C 0.649 177.259 176.600 0.018 0.000 1.004 128 E CA 1.159 57.569 56.400 0.017 0.000 0.819 128 E CB -0.487 29.221 29.700 0.014 0.000 0.738 128 E HN 0.339 nan 8.360 nan 0.000 0.478 129 N N 0.242 118.954 118.700 0.021 0.000 2.251 129 N HA 0.075 4.815 4.740 -0.001 0.000 0.217 129 N C 0.528 176.052 175.510 0.023 0.000 1.124 129 N CA 0.679 53.741 53.050 0.020 0.000 0.843 129 N CB 1.262 39.760 38.487 0.018 0.000 1.024 129 N HN 0.447 nan 8.380 nan 0.000 0.501 130 G N 1.371 110.188 108.800 0.027 0.000 2.162 130 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 130 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 130 G C 0.185 175.108 174.900 0.038 0.000 0.976 130 G CA 0.277 45.396 45.100 0.031 0.000 0.655 130 G HN 0.378 nan 8.290 nan 0.000 0.533 131 K N 0.694 121.117 120.400 0.039 0.000 2.156 131 K HA 0.720 5.039 4.320 -0.001 0.000 0.271 131 K C 0.827 177.462 176.600 0.058 0.000 0.995 131 K CA -0.136 56.176 56.287 0.043 0.000 0.890 131 K CB 0.919 33.440 32.500 0.034 0.000 1.073 131 K HN 0.562 nan 8.250 nan 0.000 0.454 132 A N 4.732 127.591 122.820 0.064 0.000 2.520 132 A HA 0.139 4.459 4.320 -0.001 0.000 0.245 132 A C 0.113 177.744 177.584 0.078 0.000 1.072 132 A CA -0.150 51.938 52.037 0.085 0.000 0.761 132 A CB -0.318 18.730 19.000 0.079 0.000 1.004 132 A HN 0.775 nan 8.150 nan 0.000 0.499 133 I N 3.807 124.435 120.570 0.096 0.000 2.648 133 I HA 0.090 4.260 4.170 -0.001 0.000 0.284 133 I C -1.824 174.327 176.117 0.056 0.000 1.153 133 I CA -1.281 60.064 61.300 0.075 0.000 1.426 133 I CB 0.405 38.462 38.000 0.095 0.000 1.381 133 I HN 0.450 nan 8.210 nan 0.000 0.571 134 P HA -0.139 nan 4.420 nan 0.000 0.261 134 P C 0.405 177.748 177.300 0.073 0.000 1.173 134 P CA 0.332 63.472 63.100 0.066 0.000 0.760 134 P CB 0.307 32.037 31.700 0.051 0.000 0.783 135 F N 3.920 123.847 119.950 -0.039 0.000 2.065 135 F HA -0.314 4.213 4.527 -0.001 0.000 0.298 135 F C 2.351 178.127 175.800 -0.040 0.000 1.112 135 F CA 2.657 60.619 58.000 -0.062 0.000 1.212 135 F CB -0.747 38.216 39.000 -0.062 0.000 0.975 135 F HN 0.358 nan 8.300 nan 0.000 0.476 136 S N -0.936 114.842 115.700 0.130 0.000 2.402 136 S HA -0.310 4.160 4.470 -0.001 0.000 0.233 136 S C 1.953 176.522 174.600 -0.052 0.000 1.030 136 S CA 1.696 59.924 58.200 0.047 0.000 1.003 136 S CB -0.803 62.450 63.200 0.088 0.000 0.813 136 S HN 0.717 nan 8.310 nan 0.000 0.477 137 E N 1.522 121.694 120.200 -0.047 0.000 2.086 137 E HA -0.064 4.286 4.350 -0.001 0.000 0.190 137 E C 2.506 179.059 176.600 -0.077 0.000 0.975 137 E CA 0.665 57.042 56.400 -0.037 0.000 0.813 137 E CB -0.022 29.680 29.700 0.003 0.000 0.768 137 E HN 0.794 nan 8.360 nan 0.000 0.457 138 R N 0.641 121.054 120.500 -0.144 0.000 2.115 138 R HA -0.082 4.258 4.340 -0.001 0.000 0.230 138 R C 2.265 178.432 176.300 -0.223 0.000 1.111 138 R CA 1.407 57.425 56.100 -0.138 0.000 0.976 138 R CB -1.091 29.093 30.300 -0.193 0.000 0.870 138 R HN 0.173 nan 8.270 nan 0.000 0.445 139 V N 0.286 119.949 119.914 -0.418 0.000 2.688 139 V HA -0.162 3.958 4.120 -0.001 0.000 0.256 139 V C 1.915 177.906 176.094 -0.171 0.000 1.084 139 V CA 2.004 64.081 62.300 -0.372 0.000 1.103 139 V CB -0.989 30.540 31.823 -0.490 0.000 0.688 139 V HN 0.570 nan 8.190 nan 0.000 0.480 140 T N -3.814 110.678 114.554 -0.103 0.000 3.086 140 T HA 0.259 4.608 4.350 -0.001 0.000 0.250 140 T C 0.707 175.414 174.700 0.011 0.000 1.074 140 T CA -0.352 61.720 62.100 -0.046 0.000 0.988 140 T CB -0.025 68.841 68.868 -0.002 0.000 0.988 140 T HN 0.369 nan 8.240 nan 0.000 0.530 141 K N 1.414 121.838 120.400 0.039 0.000 2.154 141 K HA 0.461 4.780 4.320 -0.001 0.000 0.264 141 K C 1.682 178.341 176.600 0.098 0.000 1.008 141 K CA -0.127 56.224 56.287 0.106 0.000 0.937 141 K CB 0.822 33.395 32.500 0.122 0.000 1.002 141 K HN 0.177 nan 8.250 nan 0.000 0.469 142 G N 0.605 109.492 108.800 0.145 0.000 2.462 142 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.220 142 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.220 142 G C 1.236 176.178 174.900 0.070 0.000 1.121 142 G CA 1.519 46.685 45.100 0.111 0.000 0.758 142 G HN 0.684 nan 8.290 nan 0.000 0.559 143 T N -0.791 113.806 114.554 0.073 0.000 2.929 143 T HA 0.188 4.538 4.350 -0.001 0.000 0.271 143 T C 2.376 177.151 174.700 0.125 0.000 1.085 143 T CA 1.331 63.448 62.100 0.028 0.000 1.125 143 T CB -0.150 68.674 68.868 -0.073 0.000 0.874 143 T HN 0.318 nan 8.240 nan 0.000 0.494 144 A N 1.037 123.978 122.820 0.201 0.000 2.167 144 A HA 0.393 4.713 4.320 -0.001 0.000 0.214 144 A C 1.135 178.784 177.584 0.107 0.000 1.151 144 A CA -0.040 52.129 52.037 0.220 0.000 0.735 144 A CB -0.388 18.659 19.000 0.079 0.000 0.802 144 A HN 0.432 nan 8.150 nan 0.000 0.467 145 V N 1.126 121.076 119.914 0.060 0.000 2.439 145 V HA 0.430 4.550 4.120 -0.001 0.000 0.271 145 V C 1.034 177.154 176.094 0.044 0.000 1.040 145 V CA -0.043 62.275 62.300 0.031 0.000 1.002 145 V CB 0.416 32.240 31.823 0.003 0.000 1.000 145 V HN 0.383 nan 8.190 nan 0.000 0.477 146 G N 3.566 112.393 108.800 0.045 0.000 2.451 146 G HA2 0.486 4.445 3.960 -0.001 0.000 0.303 146 G HA3 0.486 4.445 3.960 -0.001 0.000 0.303 146 G C -0.396 174.526 174.900 0.036 0.000 1.166 146 G CA -0.644 44.486 45.100 0.050 0.000 0.884 146 G HN 0.557 nan 8.290 nan 0.000 0.514 147 V N 2.778 122.719 119.914 0.044 0.000 2.485 147 V HA 0.089 4.208 4.120 -0.001 0.000 0.287 147 V C -1.715 174.303 176.094 -0.128 0.000 1.022 147 V CA -0.740 61.572 62.300 0.019 0.000 1.067 147 V CB 0.934 32.823 31.823 0.110 0.000 0.967 147 V HN 0.505 nan 8.190 nan 0.000 0.479 148 P HA 0.153 nan 4.420 nan 0.000 0.267 148 P C 0.757 177.880 177.300 -0.296 0.000 1.205 148 P CA 0.355 63.426 63.100 -0.048 0.000 0.765 148 P CB 0.847 32.676 31.700 0.216 0.000 0.828 149 G N 1.515 110.127 108.800 -0.314 0.000 2.944 149 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.223 149 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.223 149 G C 1.204 176.057 174.900 -0.079 0.000 1.071 149 G CA 0.169 45.095 45.100 -0.289 0.000 0.806 149 G HN 0.329 nan 8.290 nan 0.000 0.538 150 T N 1.668 116.145 114.554 -0.127 0.000 2.624 150 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 150 T C 2.244 176.839 174.700 -0.175 0.000 1.041 150 T CA 1.573 63.585 62.100 -0.146 0.000 1.159 150 T CB -0.223 68.550 68.868 -0.158 0.000 0.863 150 T HN 0.147 nan 8.240 nan 0.000 0.434 151 L N 0.997 122.069 121.223 -0.252 0.000 2.046 151 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 151 L C 2.283 179.127 176.870 -0.044 0.000 1.077 151 L CA 1.849 56.554 54.840 -0.225 0.000 0.747 151 L CB -0.519 41.258 42.059 -0.470 0.000 0.896 151 L HN 0.020 nan 8.230 nan 0.000 0.432 152 K N -0.208 120.225 120.400 0.054 0.000 2.063 152 K HA -0.089 4.231 4.320 -0.001 0.000 0.208 152 K C 1.996 178.595 176.600 -0.002 0.000 1.048 152 K CA 1.579 57.872 56.287 0.011 0.000 0.928 152 K CB -1.056 31.442 32.500 -0.004 0.000 0.713 152 K HN 0.431 nan 8.250 nan 0.000 0.442 153 G N 0.517 109.317 108.800 -0.001 0.000 2.418 153 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 153 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 153 G C 1.484 176.371 174.900 -0.021 0.000 1.158 153 G CA 0.968 46.061 45.100 -0.011 0.000 0.771 153 G HN 0.282 nan 8.290 nan 0.000 0.545 154 L N 0.207 121.388 121.223 -0.071 0.000 2.046 154 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 154 L C 2.762 179.625 176.870 -0.011 0.000 1.077 154 L CA 1.694 56.485 54.840 -0.081 0.000 0.747 154 L CB -0.464 41.465 42.059 -0.216 0.000 0.896 154 L HN 0.400 nan 8.230 nan 0.000 0.432 155 E N 0.593 120.791 120.200 -0.003 0.000 2.051 155 E HA -0.302 4.048 4.350 -0.001 0.000 0.192 155 E C 2.047 178.643 176.600 -0.008 0.000 0.991 155 E CA 1.545 57.951 56.400 0.011 0.000 0.799 155 E CB 0.083 29.792 29.700 0.016 0.000 0.748 155 E HN 0.358 nan 8.360 nan 0.000 0.449 156 E N 0.684 120.872 120.200 -0.020 0.000 2.058 156 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 156 E C 1.790 178.361 176.600 -0.049 0.000 0.997 156 E CA 1.748 58.117 56.400 -0.051 0.000 0.801 156 E CB -0.470 29.203 29.700 -0.044 0.000 0.746 156 E HN 0.353 nan 8.360 nan 0.000 0.450 157 A N 0.544 123.402 122.820 0.062 0.000 1.908 157 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 157 A C 2.381 180.078 177.584 0.189 0.000 1.181 157 A CA 1.566 53.747 52.037 0.241 0.000 0.627 157 A CB -0.762 18.400 19.000 0.270 0.000 0.818 157 A HN 0.362 nan 8.150 nan 0.000 0.445 158 L N -0.851 120.428 121.223 0.093 0.000 2.093 158 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 158 L C 2.395 179.272 176.870 0.012 0.000 1.085 158 L CA 1.679 56.565 54.840 0.076 0.000 0.755 158 L CB -0.575 41.519 42.059 0.057 0.000 0.904 158 L HN 0.469 nan 8.230 nan 0.000 0.435 159 D N 0.350 120.725 120.400 -0.042 0.000 2.117 159 D HA -0.255 4.385 4.640 -0.001 0.000 0.197 159 D C 2.163 178.357 176.300 -0.176 0.000 0.987 159 D CA 1.469 55.414 54.000 -0.090 0.000 0.829 159 D CB 0.198 40.939 40.800 -0.098 0.000 0.961 159 D HN 0.055 nan 8.370 nan 0.000 0.460 160 K N -1.262 118.944 120.400 -0.324 0.000 2.044 160 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 160 K C 1.195 177.464 176.600 -0.553 0.000 1.049 160 K CA 1.050 56.952 56.287 -0.642 0.000 0.945 160 K CB -0.008 31.716 32.500 -1.293 0.000 0.724 160 K HN 0.246 nan 8.250 nan 0.000 0.440 161 W N 0.379 121.671 121.300 -0.014 0.000 2.725 161 W HA 0.398 5.058 4.660 -0.001 0.000 0.336 161 W C 0.387 176.900 176.519 -0.009 0.000 1.012 161 W CA -0.252 57.084 57.345 -0.014 0.000 1.566 161 W CB -0.571 28.880 29.460 -0.016 0.000 1.068 161 W HN 0.060 nan 8.180 nan 0.000 0.546 162 G N 1.416 110.333 108.800 0.194 0.000 2.414 162 G HA2 0.212 4.172 3.960 -0.001 0.000 0.236 162 G HA3 0.212 4.172 3.960 -0.001 0.000 0.236 162 G C 0.866 175.815 174.900 0.082 0.000 1.293 162 G CA 0.890 46.064 45.100 0.123 0.000 0.869 162 G HN 0.051 nan 8.290 nan 0.000 0.556 163 T N -1.612 112.983 114.554 0.068 0.000 3.043 163 T HA 0.340 4.690 4.350 -0.001 0.000 0.272 163 T C 0.681 175.403 174.700 0.036 0.000 0.990 163 T CA -0.407 61.721 62.100 0.047 0.000 0.897 163 T CB 0.442 69.337 68.868 0.045 0.000 1.111 163 T HN 0.383 nan 8.240 nan 0.000 0.529 164 R N 1.968 122.491 120.500 0.039 0.000 2.744 164 R HA 0.628 4.967 4.340 -0.001 0.000 0.279 164 R C -0.312 176.006 176.300 0.030 0.000 0.977 164 R CA -0.473 55.644 56.100 0.029 0.000 0.906 164 R CB 1.698 32.016 30.300 0.029 0.000 1.197 164 R HN 0.419 nan 8.270 nan 0.000 0.463 165 S N 0.615 116.326 115.700 0.018 0.000 2.592 165 S HA 0.111 4.581 4.470 -0.001 0.000 0.271 165 S C 1.376 175.985 174.600 0.014 0.000 1.326 165 S CA -0.593 57.615 58.200 0.014 0.000 1.024 165 S CB 0.996 64.197 63.200 0.002 0.000 0.921 165 S HN 0.767 nan 8.310 nan 0.000 0.527 166 M N 1.419 121.029 119.600 0.018 0.000 2.144 166 M HA -0.177 4.302 4.480 -0.001 0.000 0.260 166 M C 2.231 178.491 176.300 -0.067 0.000 1.067 166 M CA 1.981 57.292 55.300 0.019 0.000 1.095 166 M CB -0.350 32.267 32.600 0.028 0.000 1.365 166 M HN 0.952 nan 8.290 nan 0.000 0.406 167 K N -0.124 120.239 120.400 -0.062 0.000 2.032 167 K HA -0.288 4.031 4.320 -0.001 0.000 0.209 167 K C 2.025 178.579 176.600 -0.077 0.000 1.048 167 K CA 2.158 58.396 56.287 -0.083 0.000 0.927 167 K CB -0.355 32.117 32.500 -0.047 0.000 0.712 167 K HN 0.553 nan 8.250 nan 0.000 0.441 168 Q N 0.436 120.212 119.800 -0.041 0.000 2.079 168 Q HA -0.112 4.228 4.340 -0.001 0.000 0.200 168 Q C 2.103 178.084 176.000 -0.032 0.000 0.974 168 Q CA 1.429 57.215 55.803 -0.028 0.000 0.840 168 Q CB 0.003 28.736 28.738 -0.007 0.000 0.898 168 Q HN 0.413 nan 8.270 nan 0.000 0.430 169 L N 0.133 121.344 121.223 -0.020 0.000 2.291 169 L HA -0.043 4.297 4.340 -0.001 0.000 0.214 169 L C 2.244 179.088 176.870 -0.043 0.000 1.120 169 L CA 0.411 55.259 54.840 0.012 0.000 0.799 169 L CB -0.087 42.025 42.059 0.087 0.000 0.925 169 L HN 0.319 nan 8.230 nan 0.000 0.446 170 I N -0.885 119.542 120.570 -0.238 0.000 3.226 170 I HA -0.155 4.014 4.170 -0.001 0.000 0.277 170 I C 2.128 178.082 176.117 -0.271 0.000 1.243 170 I CA 0.505 61.472 61.300 -0.555 0.000 1.459 170 I CB 0.172 37.543 38.000 -1.048 0.000 1.093 170 I HN 0.159 nan 8.210 nan 0.000 0.453 171 T N 2.241 116.708 114.554 -0.145 0.000 2.720 171 T HA -0.098 4.251 4.350 -0.001 0.000 0.268 171 T C -0.666 174.021 174.700 -0.022 0.000 1.037 171 T CA 1.650 63.710 62.100 -0.066 0.000 1.144 171 T CB -1.064 67.776 68.868 -0.046 0.000 0.864 171 T HN 0.315 nan 8.240 nan 0.000 0.444 172 P HA 0.056 nan 4.420 nan 0.000 0.219 172 P C 1.564 178.884 177.300 0.033 0.000 1.150 172 P CA 0.869 63.976 63.100 0.012 0.000 0.814 172 P CB -0.011 31.698 31.700 0.015 0.000 0.787 173 S N -1.050 114.680 115.700 0.049 0.000 2.414 173 S HA 0.003 4.473 4.470 -0.001 0.000 0.227 173 S C 1.798 176.506 174.600 0.179 0.000 1.022 173 S CA 0.643 58.921 58.200 0.130 0.000 0.958 173 S CB -0.870 62.465 63.200 0.226 0.000 0.797 173 S HN 0.114 nan 8.310 nan 0.000 0.493 174 I N 1.358 122.016 120.570 0.147 0.000 2.286 174 I HA -0.201 3.969 4.170 -0.001 0.000 0.248 174 I C 2.427 178.583 176.117 0.064 0.000 1.115 174 I CA 1.125 62.503 61.300 0.130 0.000 1.392 174 I CB -0.115 37.932 38.000 0.078 0.000 1.065 174 I HN 0.185 nan 8.210 nan 0.000 0.418 175 K N 0.876 121.306 120.400 0.051 0.000 2.026 175 K HA -0.124 4.196 4.320 -0.001 0.000 0.208 175 K C 2.076 178.710 176.600 0.057 0.000 1.048 175 K CA 1.287 57.600 56.287 0.042 0.000 0.929 175 K CB -0.071 32.450 32.500 0.034 0.000 0.713 175 K HN 0.204 nan 8.250 nan 0.000 0.439 176 L N -0.094 121.167 121.223 0.063 0.000 2.083 176 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 176 L C 2.436 179.380 176.870 0.123 0.000 1.083 176 L CA 1.248 56.138 54.840 0.085 0.000 0.752 176 L CB -0.429 41.626 42.059 -0.006 0.000 0.899 176 L HN 0.278 nan 8.230 nan 0.000 0.433 177 A N -0.471 122.390 122.820 0.068 0.000 1.897 177 A HA -0.182 4.138 4.320 -0.001 0.000 0.215 177 A C 2.176 179.765 177.584 0.009 0.000 1.181 177 A CA 1.393 53.441 52.037 0.019 0.000 0.620 177 A CB -0.322 18.614 19.000 -0.107 0.000 0.821 177 A HN 0.397 nan 8.150 nan 0.000 0.443 178 E N -0.315 119.892 120.200 0.011 0.000 2.016 178 E HA -0.117 4.233 4.350 -0.001 0.000 0.190 178 E C 1.896 178.504 176.600 0.014 0.000 0.985 178 E CA 1.159 57.560 56.400 0.002 0.000 0.802 178 E CB -0.110 29.593 29.700 0.005 0.000 0.762 178 E HN 0.495 nan 8.360 nan 0.000 0.448 179 K N -0.046 120.375 120.400 0.034 0.000 2.418 179 K HA 0.070 4.390 4.320 -0.001 0.000 0.195 179 K C 0.615 177.246 176.600 0.051 0.000 1.035 179 K CA 0.400 56.709 56.287 0.037 0.000 1.003 179 K CB 0.554 33.080 32.500 0.043 0.000 0.793 179 K HN 0.212 nan 8.250 nan 0.000 0.494 180 G N 1.416 110.270 108.800 0.089 0.000 2.795 180 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.664 180 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.664 180 G C -0.597 174.437 174.900 0.224 0.000 1.381 180 G CA -0.353 44.812 45.100 0.109 0.000 0.853 180 G HN 0.291 nan 8.290 nan 0.000 0.545 181 F N -2.215 117.746 119.950 0.019 0.000 2.719 181 F HA 0.815 5.342 4.527 -0.001 0.000 0.309 181 F C -2.816 173.017 175.800 0.054 0.000 1.138 181 F CA -2.093 55.932 58.000 0.042 0.000 0.943 181 F CB 1.720 40.750 39.000 0.049 0.000 1.304 181 F HN 0.553 nan 8.300 nan 0.000 0.445 182 P HA 0.329 nan 4.420 nan 0.000 0.287 182 P C -0.297 176.989 177.300 -0.024 0.000 1.294 182 P CA 0.129 63.180 63.100 -0.082 0.000 0.776 182 P CB 1.519 33.251 31.700 0.054 0.000 0.889 183 I N 4.114 124.571 120.570 -0.187 0.000 2.710 183 I HA -0.026 4.144 4.170 -0.001 0.000 0.286 183 I C 1.551 177.760 176.117 0.154 0.000 1.181 183 I CA 0.438 61.743 61.300 0.009 0.000 1.430 183 I CB 0.230 38.194 38.000 -0.060 0.000 1.367 183 I HN 0.475 nan 8.210 nan 0.000 0.577 184 D N 4.183 124.741 120.400 0.263 0.000 2.451 184 D HA 0.051 4.691 4.640 -0.001 0.000 0.259 184 D C 1.034 177.396 176.300 0.103 0.000 1.201 184 D CA -0.196 53.894 54.000 0.150 0.000 1.028 184 D CB 1.005 41.861 40.800 0.094 0.000 1.095 184 D HN 0.538 nan 8.370 nan 0.000 0.539 185 S N -0.356 115.380 115.700 0.059 0.000 2.399 185 S HA -0.139 4.330 4.470 -0.001 0.000 0.231 185 S C 2.031 176.665 174.600 0.057 0.000 1.022 185 S CA 1.165 59.394 58.200 0.048 0.000 0.983 185 S CB -0.816 62.399 63.200 0.026 0.000 0.803 185 S HN 0.409 nan 8.310 nan 0.000 0.480 186 V N 1.755 121.707 119.914 0.063 0.000 2.379 186 V HA -0.054 4.066 4.120 -0.001 0.000 0.245 186 V C 2.459 178.605 176.094 0.088 0.000 1.044 186 V CA 1.513 63.854 62.300 0.068 0.000 1.036 186 V CB -0.930 30.931 31.823 0.064 0.000 0.664 186 V HN 0.453 nan 8.190 nan 0.000 0.453 187 L N 1.294 122.591 121.223 0.124 0.000 1.994 187 L HA -0.049 4.290 4.340 -0.001 0.000 0.208 187 L C 2.490 179.421 176.870 0.102 0.000 1.071 187 L CA 2.432 57.351 54.840 0.132 0.000 0.745 187 L CB -1.248 40.945 42.059 0.222 0.000 0.892 187 L HN 0.209 nan 8.230 nan 0.000 0.431 188 A N -0.593 122.285 122.820 0.097 0.000 1.883 188 A HA -0.315 4.005 4.320 -0.001 0.000 0.217 188 A C 2.335 179.958 177.584 0.066 0.000 1.186 188 A CA 1.994 54.077 52.037 0.076 0.000 0.624 188 A CB -0.905 18.131 19.000 0.058 0.000 0.822 188 A HN 0.659 nan 8.150 nan 0.000 0.444 189 E N -0.202 120.035 120.200 0.062 0.000 2.085 189 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 189 E C 2.070 178.718 176.600 0.081 0.000 0.994 189 E CA 1.252 57.686 56.400 0.056 0.000 0.801 189 E CB -0.301 29.430 29.700 0.050 0.000 0.743 189 E HN 0.545 nan 8.360 nan 0.000 0.453 190 A N 0.837 123.718 122.820 0.102 0.000 1.902 190 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 190 A C 2.166 179.845 177.584 0.158 0.000 1.181 190 A CA 1.405 53.540 52.037 0.163 0.000 0.623 190 A CB -0.596 18.445 19.000 0.069 0.000 0.818 190 A HN 0.359 nan 8.150 nan 0.000 0.443 191 I N -0.658 119.954 120.570 0.070 0.000 2.286 191 I HA -0.205 3.965 4.170 -0.001 0.000 0.248 191 I C 2.823 178.988 176.117 0.079 0.000 1.115 191 I CA 1.470 62.803 61.300 0.054 0.000 1.392 191 I CB -0.212 37.842 38.000 0.090 0.000 1.065 191 I HN 0.428 nan 8.210 nan 0.000 0.418 192 S N 0.686 116.425 115.700 0.064 0.000 2.357 192 S HA -0.190 4.280 4.470 -0.001 0.000 0.221 192 S C 1.725 176.323 174.600 -0.002 0.000 1.031 192 S CA 1.595 59.815 58.200 0.033 0.000 0.982 192 S CB -0.238 62.976 63.200 0.023 0.000 0.853 192 S HN 0.345 nan 8.310 nan 0.000 0.458 193 D N -0.072 120.318 120.400 -0.016 0.000 2.178 193 D HA -0.051 4.589 4.640 -0.001 0.000 0.201 193 D C 0.289 176.359 176.300 -0.383 0.000 0.980 193 D CA 1.119 55.008 54.000 -0.185 0.000 0.842 193 D CB -0.183 40.495 40.800 -0.202 0.000 0.948 193 D HN 0.592 nan 8.370 nan 0.000 0.472 194 Y N 0.367 120.653 120.300 -0.023 0.000 2.734 194 Y HA 0.228 4.778 4.550 -0.001 0.000 0.278 194 Y C 1.593 177.480 175.900 -0.022 0.000 1.108 194 Y CA -0.369 57.714 58.100 -0.028 0.000 1.211 194 Y CB 0.075 38.503 38.460 -0.053 0.000 1.182 194 Y HN -0.137 nan 8.280 nan 0.000 0.547 195 Q N 0.565 120.404 119.800 0.065 0.000 2.096 195 Q HA -0.260 4.079 4.340 -0.001 0.000 0.204 195 Q C 2.002 178.038 176.000 0.060 0.000 0.982 195 Q CA 2.010 57.851 55.803 0.063 0.000 0.850 195 Q CB 0.005 28.767 28.738 0.040 0.000 0.901 195 Q HN 0.638 nan 8.270 nan 0.000 0.422 196 E N 1.468 121.692 120.200 0.040 0.000 2.038 196 E HA -0.268 4.082 4.350 -0.001 0.000 0.195 196 E C 2.047 178.682 176.600 0.059 0.000 1.000 196 E CA 1.318 57.741 56.400 0.038 0.000 0.803 196 E CB 0.005 29.715 29.700 0.016 0.000 0.750 196 E HN 0.163 nan 8.360 nan 0.000 0.448 197 K N 0.314 120.762 120.400 0.079 0.000 2.009 197 K HA -0.180 4.139 4.320 -0.001 0.000 0.210 197 K C 2.341 178.979 176.600 0.063 0.000 1.049 197 K CA 1.639 57.975 56.287 0.080 0.000 0.929 197 K CB -0.211 32.367 32.500 0.130 0.000 0.714 197 K HN 0.233 nan 8.250 nan 0.000 0.440 198 L N 1.082 122.348 121.223 0.072 0.000 2.141 198 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 198 L C 2.536 179.459 176.870 0.090 0.000 1.094 198 L CA 1.397 56.282 54.840 0.074 0.000 0.763 198 L CB -0.513 41.599 42.059 0.089 0.000 0.908 198 L HN 0.327 nan 8.230 nan 0.000 0.437 199 S N -0.028 115.720 115.700 0.081 0.000 2.474 199 S HA -0.141 4.328 4.470 -0.001 0.000 0.235 199 S C 1.859 176.508 174.600 0.082 0.000 0.997 199 S CA 0.536 58.781 58.200 0.076 0.000 0.949 199 S CB -0.332 62.904 63.200 0.060 0.000 0.766 199 S HN 0.454 nan 8.310 nan 0.000 0.517 200 R N 1.406 121.962 120.500 0.094 0.000 2.299 200 R HA 0.162 4.501 4.340 -0.001 0.000 0.197 200 R C 1.019 177.434 176.300 0.192 0.000 0.971 200 R CA 0.937 57.113 56.100 0.127 0.000 1.030 200 R CB -0.114 30.271 30.300 0.142 0.000 0.932 200 R HN 0.692 nan 8.270 nan 0.000 0.477 201 T N -4.719 109.926 114.554 0.152 0.000 2.742 201 T HA 0.519 4.869 4.350 -0.001 0.000 0.282 201 T C 0.950 175.723 174.700 0.123 0.000 1.025 201 T CA -0.375 61.834 62.100 0.180 0.000 1.020 201 T CB 1.671 70.563 68.868 0.040 0.000 1.317 201 T HN -0.097 nan 8.240 nan 0.000 0.538 202 A N -0.066 122.821 122.820 0.111 0.000 2.178 202 A HA 0.342 4.662 4.320 -0.001 0.000 0.218 202 A C 2.419 180.045 177.584 0.070 0.000 1.157 202 A CA 1.615 53.696 52.037 0.075 0.000 0.689 202 A CB -1.498 17.538 19.000 0.059 0.000 0.787 202 A HN 1.290 nan 8.150 nan 0.000 0.465 203 A N 1.295 124.174 122.820 0.098 0.000 2.019 203 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 203 A C 2.050 179.751 177.584 0.196 0.000 1.164 203 A CA 1.758 53.905 52.037 0.184 0.000 0.644 203 A CB -0.496 18.633 19.000 0.215 0.000 0.805 203 A HN 0.764 nan 8.150 nan 0.000 0.449 204 K N -0.355 120.124 120.400 0.132 0.000 2.152 204 K HA -0.203 4.117 4.320 -0.001 0.000 0.206 204 K C 0.737 177.371 176.600 0.056 0.000 1.048 204 K CA 1.659 58.013 56.287 0.110 0.000 0.933 204 K CB -0.478 32.070 32.500 0.082 0.000 0.721 204 K HN 0.286 nan 8.250 nan 0.000 0.447 205 D N 0.906 121.319 120.400 0.021 0.000 2.264 205 D HA -0.079 4.560 4.640 -0.001 0.000 0.208 205 D C 1.915 178.163 176.300 -0.088 0.000 0.966 205 D CA 0.894 54.880 54.000 -0.024 0.000 0.864 205 D CB 0.191 40.977 40.800 -0.025 0.000 0.933 205 D HN 0.176 nan 8.370 nan 0.000 0.499 206 V N -0.294 119.527 119.914 -0.155 0.000 2.490 206 V HA -0.047 4.072 4.120 -0.001 0.000 0.238 206 V C 1.783 177.590 176.094 -0.477 0.000 1.056 206 V CA 0.791 62.850 62.300 -0.402 0.000 1.075 206 V CB -0.408 30.992 31.823 -0.705 0.000 0.746 206 V HN -0.006 nan 8.190 nan 0.000 0.479 207 F N -0.057 119.894 119.950 0.001 0.000 2.569 207 F HA 0.289 4.816 4.527 -0.001 0.000 0.295 207 F C 1.147 176.950 175.800 0.006 0.000 1.115 207 F CA 0.752 58.755 58.000 0.005 0.000 1.450 207 F CB -0.050 38.961 39.000 0.018 0.000 1.107 207 F HN 0.005 nan 8.300 nan 0.000 0.563 208 L N 0.284 121.590 121.223 0.138 0.000 2.892 208 L HA 0.289 4.629 4.340 -0.001 0.000 0.251 208 L C -1.766 175.126 176.870 0.036 0.000 1.339 208 L CA -1.426 53.467 54.840 0.087 0.000 0.900 208 L CB 0.208 42.323 42.059 0.094 0.000 1.246 208 L HN -0.155 nan 8.230 nan 0.000 0.524 209 P HA -0.251 nan 4.420 nan 0.000 0.224 209 P C 0.253 177.550 177.300 -0.004 0.000 1.153 209 P CA 1.652 64.742 63.100 -0.015 0.000 0.947 209 P CB 0.087 31.772 31.700 -0.025 0.000 0.790 210 N N -2.272 116.429 118.700 0.003 0.000 2.696 210 N HA 0.245 4.984 4.740 -0.001 0.000 0.308 210 N C 0.541 176.057 175.510 0.011 0.000 1.915 210 N CA 0.577 53.630 53.050 0.004 0.000 0.906 210 N CB 0.544 39.031 38.487 -0.000 0.000 1.284 210 N HN 0.182 nan 8.380 nan 0.000 0.488 211 G N 0.801 109.612 108.800 0.019 0.000 2.166 211 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.260 211 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.260 211 G C -0.071 174.844 174.900 0.025 0.000 0.986 211 G CA 0.450 45.564 45.100 0.023 0.000 0.683 211 G HN 0.355 nan 8.290 nan 0.000 0.527 212 E N 0.031 120.246 120.200 0.026 0.000 2.256 212 E HA 0.425 4.775 4.350 -0.001 0.000 0.268 212 E C -2.722 173.901 176.600 0.038 0.000 0.877 212 E CA -2.050 54.366 56.400 0.027 0.000 0.757 212 E CB 2.223 31.933 29.700 0.016 0.000 1.183 212 E HN 0.039 nan 8.360 nan 0.000 0.418 213 P HA 0.114 nan 4.420 nan 0.000 0.271 213 P C -0.011 177.321 177.300 0.053 0.000 1.216 213 P CA -0.101 63.038 63.100 0.066 0.000 0.771 213 P CB 0.521 32.256 31.700 0.059 0.000 0.864 214 L N 3.276 124.539 121.223 0.067 0.000 2.483 214 L HA 0.117 4.457 4.340 -0.001 0.000 0.276 214 L C 1.168 178.060 176.870 0.036 0.000 1.213 214 L CA 0.138 55.000 54.840 0.036 0.000 0.843 214 L CB 0.096 42.174 42.059 0.031 0.000 1.107 214 L HN 0.268 nan 8.230 nan 0.000 0.487 215 K N 1.799 122.209 120.400 0.016 0.000 2.139 215 K HA 0.252 4.572 4.320 -0.001 0.000 0.243 215 K C -0.465 176.144 176.600 0.015 0.000 0.983 215 K CA -0.854 55.444 56.287 0.018 0.000 0.890 215 K CB 1.082 33.589 32.500 0.011 0.000 1.090 215 K HN 0.485 nan 8.250 nan 0.000 0.445 216 E N 0.028 120.241 120.200 0.023 0.000 2.608 216 E HA -0.014 4.335 4.350 -0.001 0.000 0.259 216 E C 0.622 177.231 176.600 0.015 0.000 0.951 216 E CA 1.306 57.721 56.400 0.026 0.000 0.945 216 E CB -0.048 29.670 29.700 0.029 0.000 0.916 216 E HN 0.729 nan 8.360 nan 0.000 0.477 217 G N 3.921 112.729 108.800 0.014 0.000 2.253 217 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.251 217 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.251 217 G C -0.079 174.807 174.900 -0.024 0.000 0.998 217 G CA 0.236 45.340 45.100 0.006 0.000 0.621 217 G HN 0.667 nan 8.290 nan 0.000 0.524 218 D N 1.274 121.651 120.400 -0.038 0.000 2.382 218 D HA 0.462 5.102 4.640 -0.001 0.000 0.240 218 D C 0.755 176.983 176.300 -0.120 0.000 1.146 218 D CA 0.578 54.542 54.000 -0.058 0.000 0.897 218 D CB 0.676 41.447 40.800 -0.048 0.000 1.197 218 D HN 0.093 nan 8.370 nan 0.000 0.432 219 T N 1.563 116.044 114.554 -0.122 0.000 2.814 219 T HA 0.269 4.619 4.350 -0.001 0.000 0.297 219 T C 0.000 174.558 174.700 -0.237 0.000 0.956 219 T CA -0.392 61.599 62.100 -0.182 0.000 1.123 219 T CB 0.317 69.122 68.868 -0.105 0.000 0.902 219 T HN 0.104 nan 8.240 nan 0.000 0.528 220 L N 5.990 126.966 121.223 -0.411 0.000 2.287 220 L HA 0.637 4.977 4.340 -0.001 0.000 0.287 220 L C -0.989 175.749 176.870 -0.219 0.000 1.022 220 L CA -0.329 54.306 54.840 -0.341 0.000 0.814 220 L CB 0.460 42.270 42.059 -0.415 0.000 1.217 220 L HN 0.594 nan 8.230 nan 0.000 0.420 221 I N 4.726 125.206 120.570 -0.151 0.000 2.441 221 I HA 0.382 4.552 4.170 -0.001 0.000 0.295 221 I C -0.292 175.755 176.117 -0.116 0.000 0.994 221 I CA -0.369 60.878 61.300 -0.088 0.000 1.144 221 I CB 1.718 39.671 38.000 -0.077 0.000 1.314 221 I HN 0.599 nan 8.210 nan 0.000 0.445 222 Q N 5.535 125.284 119.800 -0.084 0.000 3.122 222 Q HA 0.255 4.595 4.340 -0.001 0.000 0.282 222 Q C 0.337 176.271 176.000 -0.110 0.000 0.947 222 Q CA -0.306 55.424 55.803 -0.121 0.000 0.812 222 Q CB 1.215 29.887 28.738 -0.112 0.000 1.333 222 Q HN 0.514 nan 8.270 nan 0.000 0.430 223 K N 0.144 120.490 120.400 -0.090 0.000 2.147 223 K HA -0.156 4.164 4.320 -0.001 0.000 0.205 223 K C 0.784 177.340 176.600 -0.073 0.000 1.049 223 K CA 1.193 57.438 56.287 -0.070 0.000 0.936 223 K CB 0.288 32.756 32.500 -0.052 0.000 0.722 223 K HN 0.335 nan 8.250 nan 0.000 0.446 224 D N 0.942 121.296 120.400 -0.076 0.000 2.117 224 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 224 D C 1.815 178.065 176.300 -0.083 0.000 0.982 224 D CA 0.709 54.677 54.000 -0.054 0.000 0.828 224 D CB -0.189 40.590 40.800 -0.035 0.000 0.967 224 D HN 0.000 nan 8.370 nan 0.000 0.464 225 L N 0.972 122.105 121.223 -0.150 0.000 2.083 225 L HA -0.090 4.250 4.340 -0.001 0.000 0.209 225 L C 2.101 178.706 176.870 -0.442 0.000 1.083 225 L CA 1.645 56.299 54.840 -0.310 0.000 0.752 225 L CB -0.660 41.176 42.059 -0.371 0.000 0.899 225 L HN -0.028 nan 8.230 nan 0.000 0.433 226 A N -0.744 121.908 122.820 -0.280 0.000 1.933 226 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 226 A C 2.446 179.991 177.584 -0.066 0.000 1.175 226 A CA 1.997 53.931 52.037 -0.172 0.000 0.628 226 A CB -0.604 18.348 19.000 -0.081 0.000 0.814 226 A HN 0.506 nan 8.150 nan 0.000 0.444 227 K N -0.893 119.474 120.400 -0.055 0.000 2.026 227 K HA -0.133 4.187 4.320 -0.001 0.000 0.208 227 K C 2.024 178.638 176.600 0.024 0.000 1.048 227 K CA 1.859 58.143 56.287 -0.005 0.000 0.929 227 K CB -0.319 32.181 32.500 0.001 0.000 0.713 227 K HN 0.453 nan 8.250 nan 0.000 0.439 228 T N 0.926 115.488 114.554 0.014 0.000 2.746 228 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 228 T C 1.484 176.289 174.700 0.175 0.000 1.039 228 T CA 1.175 63.305 62.100 0.051 0.000 1.142 228 T CB -0.244 68.642 68.868 0.030 0.000 0.866 228 T HN 0.111 nan 8.240 nan 0.000 0.444 229 F N 1.693 121.597 119.950 -0.076 0.000 2.186 229 F HA 0.100 4.627 4.527 -0.001 0.000 0.299 229 F C 2.235 177.953 175.800 -0.138 0.000 1.090 229 F CA 0.340 58.256 58.000 -0.140 0.000 1.307 229 F CB -0.681 38.220 39.000 -0.166 0.000 1.019 229 F HN 0.156 nan 8.300 nan 0.000 0.489 230 K N -0.121 120.347 120.400 0.113 0.000 2.211 230 K HA -0.107 4.212 4.320 -0.001 0.000 0.203 230 K C 2.181 178.791 176.600 0.017 0.000 1.050 230 K CA 0.580 56.888 56.287 0.035 0.000 0.945 230 K CB -0.207 32.310 32.500 0.028 0.000 0.732 230 K HN 0.270 nan 8.250 nan 0.000 0.451 231 L N 0.653 121.894 121.223 0.030 0.000 2.044 231 L HA -0.140 4.200 4.340 -0.001 0.000 0.205 231 L C 2.264 179.136 176.870 0.004 0.000 1.075 231 L CA 1.156 56.008 54.840 0.020 0.000 0.747 231 L CB -0.264 41.808 42.059 0.023 0.000 0.903 231 L HN 0.178 nan 8.230 nan 0.000 0.435 232 I N -0.424 120.140 120.570 -0.009 0.000 2.179 232 I HA -0.344 3.825 4.170 -0.001 0.000 0.242 232 I C 2.828 178.907 176.117 -0.063 0.000 1.088 232 I CA 1.198 62.475 61.300 -0.039 0.000 1.357 232 I CB -0.403 37.541 38.000 -0.093 0.000 1.051 232 I HN 0.271 nan 8.210 nan 0.000 0.409 233 R N 0.609 121.054 120.500 -0.092 0.000 2.103 233 R HA -0.189 4.151 4.340 -0.001 0.000 0.242 233 R C 2.247 178.522 176.300 -0.042 0.000 1.142 233 R CA 2.212 58.258 56.100 -0.090 0.000 0.960 233 R CB -0.185 30.062 30.300 -0.090 0.000 0.858 233 R HN 0.266 nan 8.270 nan 0.000 0.439 234 S N 0.264 115.952 115.700 -0.021 0.000 2.348 234 S HA 0.001 4.471 4.470 -0.001 0.000 0.219 234 S C 1.521 176.124 174.600 0.005 0.000 1.033 234 S CA 1.161 59.358 58.200 -0.005 0.000 0.974 234 S CB 0.120 63.322 63.200 0.004 0.000 0.868 234 S HN 0.410 nan 8.310 nan 0.000 0.459 235 K N 0.720 121.128 120.400 0.013 0.000 2.367 235 K HA 0.366 4.686 4.320 -0.001 0.000 0.194 235 K C 0.916 177.536 176.600 0.035 0.000 1.027 235 K CA 0.344 56.647 56.287 0.027 0.000 1.075 235 K CB 0.449 32.972 32.500 0.039 0.000 0.845 235 K HN 0.381 nan 8.250 nan 0.000 0.529 236 G N 1.393 110.208 108.800 0.025 0.000 2.760 236 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.246 236 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.246 236 G C 0.673 175.614 174.900 0.068 0.000 1.359 236 G CA -0.093 45.030 45.100 0.038 0.000 0.861 236 G HN 0.147 nan 8.290 nan 0.000 0.541 237 T N -2.752 111.862 114.554 0.099 0.000 3.051 237 T HA 0.022 4.371 4.350 -0.001 0.000 0.269 237 T C 1.471 176.338 174.700 0.279 0.000 1.127 237 T CA 1.973 64.177 62.100 0.174 0.000 1.107 237 T CB -0.059 68.928 68.868 0.198 0.000 0.898 237 T HN 0.513 nan 8.240 nan 0.000 0.517 238 D N 1.329 121.854 120.400 0.208 0.000 2.310 238 D HA 0.069 4.708 4.640 -0.001 0.000 0.212 238 D C 2.089 178.508 176.300 0.199 0.000 0.965 238 D CA 0.918 55.053 54.000 0.225 0.000 0.879 238 D CB -0.060 40.827 40.800 0.144 0.000 0.921 238 D HN 0.646 nan 8.370 nan 0.000 0.510 239 A N -0.374 122.536 122.820 0.151 0.000 2.167 239 A HA -0.066 4.253 4.320 -0.001 0.000 0.214 239 A C 1.708 179.353 177.584 0.100 0.000 1.151 239 A CA 0.341 52.443 52.037 0.110 0.000 0.735 239 A CB -0.373 18.664 19.000 0.062 0.000 0.802 239 A HN 0.250 nan 8.150 nan 0.000 0.467 240 F N -2.040 117.849 119.950 -0.101 0.000 2.383 240 F HA 0.150 4.677 4.527 -0.001 0.000 0.287 240 F C 1.639 177.331 175.800 -0.181 0.000 1.069 240 F CA 0.758 58.576 58.000 -0.304 0.000 1.402 240 F CB 0.305 38.977 39.000 -0.547 0.000 1.116 240 F HN 0.204 nan 8.300 nan 0.000 0.549 241 Y N 0.714 121.268 120.300 0.424 0.000 2.523 241 Y HA 0.261 4.810 4.550 -0.001 0.000 0.279 241 Y C 0.278 176.291 175.900 0.189 0.000 1.139 241 Y CA 0.342 58.634 58.100 0.319 0.000 1.296 241 Y CB -0.054 38.582 38.460 0.293 0.000 1.045 241 Y HN -0.201 nan 8.280 nan 0.000 0.538 242 K N -1.153 119.396 120.400 0.249 0.000 2.482 242 K HA 0.550 4.870 4.320 -0.001 0.000 0.257 242 K C 0.140 176.814 176.600 0.124 0.000 0.969 242 K CA -0.243 56.145 56.287 0.168 0.000 0.842 242 K CB 2.618 35.211 32.500 0.156 0.000 1.359 242 K HN 0.119 nan 8.250 nan 0.000 0.441 243 G N 1.485 110.337 108.800 0.088 0.000 2.584 243 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.229 243 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.229 243 G C 0.523 175.453 174.900 0.049 0.000 1.320 243 G CA 0.396 45.537 45.100 0.068 0.000 0.891 243 G HN 0.664 nan 8.290 nan 0.000 0.573 244 K N -0.754 119.677 120.400 0.051 0.000 2.063 244 K HA -0.046 4.273 4.320 -0.001 0.000 0.208 244 K C 2.404 179.007 176.600 0.006 0.000 1.048 244 K CA 2.599 58.902 56.287 0.026 0.000 0.928 244 K CB -0.287 32.237 32.500 0.039 0.000 0.713 244 K HN 0.476 nan 8.250 nan 0.000 0.442 245 F N 0.803 120.709 119.950 -0.074 0.000 2.146 245 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 245 F C 1.949 177.626 175.800 -0.205 0.000 1.096 245 F CA 1.453 59.370 58.000 -0.139 0.000 1.275 245 F CB -0.427 38.475 39.000 -0.165 0.000 1.008 245 F HN 0.089 nan 8.300 nan 0.000 0.480 246 A N 0.535 123.314 122.820 -0.067 0.000 1.902 246 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 246 A C 2.339 179.809 177.584 -0.189 0.000 1.181 246 A CA 1.962 53.913 52.037 -0.143 0.000 0.623 246 A CB -0.922 18.086 19.000 0.015 0.000 0.818 246 A HN 0.493 nan 8.150 nan 0.000 0.443 247 K N -0.831 119.495 120.400 -0.124 0.000 2.057 247 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 247 K C 1.921 178.420 176.600 -0.167 0.000 1.049 247 K CA 1.872 58.094 56.287 -0.107 0.000 0.931 247 K CB -0.366 32.098 32.500 -0.060 0.000 0.714 247 K HN 0.451 nan 8.250 nan 0.000 0.440 248 T N 2.136 116.544 114.554 -0.243 0.000 2.788 248 T HA -0.137 4.213 4.350 -0.001 0.000 0.268 248 T C 1.773 176.270 174.700 -0.338 0.000 1.044 248 T CA 1.193 63.133 62.100 -0.268 0.000 1.139 248 T CB -0.130 68.558 68.868 -0.301 0.000 0.867 248 T HN 0.238 nan 8.240 nan 0.000 0.454 249 L N 0.612 121.515 121.223 -0.533 0.000 2.027 249 L HA -0.073 4.266 4.340 -0.001 0.000 0.206 249 L C 2.741 179.469 176.870 -0.237 0.000 1.074 249 L CA 1.409 55.960 54.840 -0.481 0.000 0.745 249 L CB -0.446 41.193 42.059 -0.700 0.000 0.898 249 L HN 0.256 nan 8.230 nan 0.000 0.433 250 S N -0.354 115.231 115.700 -0.192 0.000 2.356 250 S HA -0.235 4.234 4.470 -0.001 0.000 0.223 250 S C 1.649 176.209 174.600 -0.066 0.000 1.032 250 S CA 1.813 59.956 58.200 -0.095 0.000 1.005 250 S CB -0.387 62.773 63.200 -0.068 0.000 0.867 250 S HN 0.525 nan 8.310 nan 0.000 0.449 251 D N 0.420 120.771 120.400 -0.080 0.000 2.178 251 D HA -0.030 4.610 4.640 -0.001 0.000 0.201 251 D C 2.002 178.291 176.300 -0.019 0.000 0.980 251 D CA 1.345 55.316 54.000 -0.049 0.000 0.842 251 D CB -0.654 40.112 40.800 -0.058 0.000 0.948 251 D HN 0.442 nan 8.370 nan 0.000 0.472 252 T N 0.009 114.548 114.554 -0.025 0.000 2.851 252 T HA -0.043 4.307 4.350 -0.001 0.000 0.262 252 T C 2.248 177.039 174.700 0.151 0.000 1.043 252 T CA 0.389 62.530 62.100 0.069 0.000 1.140 252 T CB -0.131 68.742 68.868 0.007 0.000 0.872 252 T HN -0.037 nan 8.240 nan 0.000 0.446 253 V N 1.763 121.707 119.914 0.050 0.000 2.332 253 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 253 V C 2.604 178.758 176.094 0.099 0.000 1.055 253 V CA 1.702 64.041 62.300 0.064 0.000 1.038 253 V CB -0.664 31.163 31.823 0.007 0.000 0.651 253 V HN 0.517 nan 8.190 nan 0.000 0.450 254 Q N -0.595 119.238 119.800 0.054 0.000 2.050 254 Q HA -0.222 4.118 4.340 -0.001 0.000 0.202 254 Q C 2.140 178.158 176.000 0.030 0.000 0.980 254 Q CA 1.732 57.554 55.803 0.032 0.000 0.840 254 Q CB -0.282 28.458 28.738 0.003 0.000 0.898 254 Q HN 0.603 nan 8.270 nan 0.000 0.424 255 D N 0.214 120.632 120.400 0.029 0.000 2.133 255 D HA -0.167 4.472 4.640 -0.001 0.000 0.195 255 D C 1.130 177.330 176.300 -0.166 0.000 0.997 255 D CA 1.226 55.181 54.000 -0.076 0.000 0.840 255 D CB -0.173 40.569 40.800 -0.097 0.000 0.947 255 D HN 0.212 nan 8.370 nan 0.000 0.452 256 F N -0.602 119.334 119.950 -0.023 0.000 2.773 256 F HA 0.249 4.776 4.527 -0.001 0.000 0.304 256 F C 1.844 177.638 175.800 -0.011 0.000 1.129 256 F CA 0.379 58.370 58.000 -0.014 0.000 1.378 256 F CB 0.471 39.463 39.000 -0.013 0.000 1.095 256 F HN 0.042 nan 8.300 nan 0.000 0.565 257 G N -0.030 108.825 108.800 0.093 0.000 2.176 257 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.232 257 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.232 257 G C 0.589 175.514 174.900 0.042 0.000 0.986 257 G CA -0.304 44.826 45.100 0.051 0.000 0.643 257 G HN 0.705 nan 8.290 nan 0.000 0.522 258 G N -0.278 108.555 108.800 0.055 0.000 2.477 258 G HA2 0.608 4.568 3.960 -0.001 0.000 0.304 258 G HA3 0.608 4.568 3.960 -0.001 0.000 0.304 258 G C 1.043 175.949 174.900 0.010 0.000 1.175 258 G CA 0.855 45.970 45.100 0.025 0.000 0.907 258 G HN 1.251 nan 8.290 nan 0.000 0.509 259 S N 0.267 115.965 115.700 -0.004 0.000 2.575 259 S HA 0.128 4.597 4.470 -0.001 0.000 0.215 259 S C 1.127 175.731 174.600 0.007 0.000 0.966 259 S CA -0.274 57.924 58.200 -0.003 0.000 0.911 259 S CB -0.266 62.926 63.200 -0.013 0.000 0.780 259 S HN 0.524 nan 8.310 nan 0.000 0.514 260 M N 3.927 123.534 119.600 0.012 0.000 2.261 260 M HA 0.078 4.558 4.480 -0.001 0.000 0.350 260 M C 0.144 176.452 176.300 0.014 0.000 1.343 260 M CA 0.577 55.889 55.300 0.019 0.000 1.003 260 M CB 0.387 32.998 32.600 0.018 0.000 1.848 260 M HN 0.516 nan 8.290 nan 0.000 0.456 261 T N 0.524 115.094 114.554 0.027 0.000 2.940 261 T HA 0.376 4.725 4.350 -0.001 0.000 0.288 261 T C 0.638 175.358 174.700 0.034 0.000 1.045 261 T CA -0.907 61.206 62.100 0.023 0.000 1.018 261 T CB 1.339 70.224 68.868 0.029 0.000 1.151 261 T HN 0.744 nan 8.240 nan 0.000 0.529 262 E N 0.370 120.586 120.200 0.025 0.000 2.118 262 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 262 E C 1.828 178.474 176.600 0.076 0.000 0.992 262 E CA 1.484 57.908 56.400 0.041 0.000 0.804 262 E CB -0.146 29.572 29.700 0.029 0.000 0.741 262 E HN 0.771 nan 8.360 nan 0.000 0.458 263 K N 1.059 121.499 120.400 0.067 0.000 2.211 263 K HA -0.114 4.205 4.320 -0.001 0.000 0.203 263 K C 1.331 177.994 176.600 0.105 0.000 1.050 263 K CA 1.438 57.773 56.287 0.080 0.000 0.945 263 K CB 0.011 32.547 32.500 0.060 0.000 0.732 263 K HN -0.036 nan 8.250 nan 0.000 0.451 264 D N 1.001 121.465 120.400 0.106 0.000 2.117 264 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 264 D C 1.898 178.324 176.300 0.211 0.000 0.987 264 D CA 1.243 55.326 54.000 0.138 0.000 0.829 264 D CB -0.073 40.797 40.800 0.116 0.000 0.961 264 D HN 0.231 nan 8.370 nan 0.000 0.460 265 L N 0.659 122.012 121.223 0.217 0.000 2.056 265 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 265 L C 2.479 179.588 176.870 0.398 0.000 1.078 265 L CA 0.987 56.040 54.840 0.354 0.000 0.749 265 L CB -0.306 41.915 42.059 0.271 0.000 0.901 265 L HN -0.005 nan 8.230 nan 0.000 0.433 266 E N 0.153 120.505 120.200 0.255 0.000 2.204 266 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 266 E C 1.610 178.295 176.600 0.143 0.000 0.989 266 E CA 1.002 57.523 56.400 0.201 0.000 0.824 266 E CB 0.159 29.942 29.700 0.138 0.000 0.756 266 E HN 0.411 nan 8.360 nan 0.000 0.477 267 N N -0.372 118.415 118.700 0.144 0.000 2.446 267 N HA -0.069 4.671 4.740 -0.001 0.000 0.179 267 N C -0.427 175.121 175.510 0.063 0.000 1.054 267 N CA 0.228 53.331 53.050 0.089 0.000 0.905 267 N CB -0.129 38.413 38.487 0.092 0.000 0.973 267 N HN 0.214 nan 8.380 nan 0.000 0.448 268 Y N 1.684 121.997 120.300 0.022 0.000 2.511 268 Y HA 0.108 4.658 4.550 -0.001 0.000 0.332 268 Y C 0.031 175.849 175.900 -0.137 0.000 1.177 268 Y CA 0.423 58.507 58.100 -0.028 0.000 1.422 268 Y CB 0.363 38.834 38.460 0.019 0.000 1.271 268 Y HN -0.069 nan 8.280 nan 0.000 0.550 269 D N 4.411 124.158 120.400 -1.088 0.000 2.661 269 D HA 0.244 4.884 4.640 -0.001 0.000 0.228 269 D C -0.773 174.987 176.300 -0.901 0.000 1.210 269 D CA -0.470 53.085 54.000 -0.741 0.000 0.826 269 D CB 1.717 42.303 40.800 -0.357 0.000 1.542 269 D HN 0.494 nan 8.370 nan 0.000 0.447 270 I N -0.791 119.548 120.570 -0.386 0.000 3.322 270 I HA 0.526 4.695 4.170 -0.001 0.000 0.296 270 I C 0.654 176.676 176.117 -0.158 0.000 1.101 270 I CA -0.180 61.007 61.300 -0.189 0.000 1.166 270 I CB 0.272 38.248 38.000 -0.039 0.000 1.475 270 I HN 0.295 nan 8.210 nan 0.000 0.665 271 T N 0.125 114.634 114.554 -0.076 0.000 2.907 271 T HA 0.673 5.022 4.350 -0.001 0.000 0.292 271 T C -0.416 174.288 174.700 0.006 0.000 1.043 271 T CA -0.693 61.385 62.100 -0.037 0.000 1.003 271 T CB 1.411 70.278 68.868 -0.002 0.000 1.084 271 T HN 0.496 nan 8.240 nan 0.000 0.483 272 I N 2.915 123.496 120.570 0.017 0.000 2.307 272 I HA 0.371 4.541 4.170 -0.001 0.000 0.289 272 I C -0.536 175.625 176.117 0.073 0.000 1.021 272 I CA -0.436 60.895 61.300 0.051 0.000 1.224 272 I CB 0.818 38.837 38.000 0.032 0.000 1.376 272 I HN 0.707 nan 8.210 nan 0.000 0.470 273 D N 4.580 125.042 120.400 0.105 0.000 2.217 273 D HA 0.297 4.936 4.640 -0.001 0.000 0.248 273 D C 0.038 176.406 176.300 0.114 0.000 1.008 273 D CA -0.374 53.693 54.000 0.112 0.000 0.914 273 D CB 1.690 42.577 40.800 0.144 0.000 1.182 273 D HN 0.344 nan 8.370 nan 0.000 0.451 274 E N 1.301 121.566 120.200 0.107 0.000 2.227 274 E HA 0.339 4.689 4.350 -0.001 0.000 0.282 274 E C -2.507 174.152 176.600 0.099 0.000 1.015 274 E CA -1.923 54.554 56.400 0.128 0.000 0.823 274 E CB 0.831 30.608 29.700 0.129 0.000 1.081 274 E HN 0.005 nan 8.360 nan 0.000 0.396 275 P HA 0.061 nan 4.420 nan 0.000 0.270 275 P C -0.586 176.660 177.300 -0.090 0.000 1.223 275 P CA -0.187 62.848 63.100 -0.107 0.000 0.785 275 P CB 0.445 31.927 31.700 -0.362 0.000 0.923 276 I N 1.866 122.330 120.570 -0.177 0.000 2.342 276 I HA 0.212 4.382 4.170 -0.001 0.000 0.291 276 I C -0.177 175.842 176.117 -0.164 0.000 1.010 276 I CA -0.547 60.708 61.300 -0.074 0.000 1.308 276 I CB 0.016 37.958 38.000 -0.096 0.000 1.400 276 I HN 0.388 nan 8.210 nan 0.000 0.488 277 W N 4.605 125.896 121.300 -0.016 0.000 2.578 277 W HA 0.696 5.356 4.660 -0.001 0.000 0.346 277 W C 0.450 176.963 176.519 -0.011 0.000 1.075 277 W CA -0.350 56.992 57.345 -0.006 0.000 1.233 277 W CB 1.925 31.390 29.460 0.008 0.000 1.358 277 W HN 0.588 nan 8.180 nan 0.000 0.574 278 G N 0.781 109.736 108.800 0.258 0.000 2.692 278 G HA2 0.428 4.388 3.960 -0.001 0.000 0.291 278 G HA3 0.428 4.388 3.960 -0.001 0.000 0.291 278 G C -1.975 173.043 174.900 0.197 0.000 1.423 278 G CA -0.777 44.421 45.100 0.163 0.000 0.843 278 G HN 0.283 nan 8.290 nan 0.000 0.486 279 D N -0.191 120.306 120.400 0.163 0.000 2.192 279 D HA 0.508 5.148 4.640 -0.001 0.000 0.246 279 D C -1.587 174.858 176.300 0.243 0.000 1.042 279 D CA 0.132 54.236 54.000 0.172 0.000 0.847 279 D CB 2.537 43.396 40.800 0.098 0.000 1.186 279 D HN 0.297 nan 8.370 nan 0.000 0.461 280 Y N 2.107 122.470 120.300 0.104 0.000 2.358 280 Y HA 0.020 4.570 4.550 -0.000 0.000 0.324 280 Y C -0.449 175.553 175.900 0.170 0.000 1.123 280 Y CA -0.712 57.449 58.100 0.102 0.000 1.067 280 Y CB 0.924 39.429 38.460 0.075 0.000 1.230 280 Y HN 0.202 nan 8.280 nan 0.000 0.429 281 Q N 4.445 123.934 119.800 -0.518 0.000 2.411 281 Q HA -0.244 4.096 4.340 -0.001 0.000 0.305 281 Q C 1.173 177.113 176.000 -0.101 0.000 1.273 281 Q CA 1.867 57.449 55.803 -0.367 0.000 0.895 281 Q CB -1.668 26.724 28.738 -0.576 0.000 1.198 281 Q HN 1.651 nan 8.270 nan 0.000 0.470 282 G N -2.376 106.363 108.800 -0.102 0.000 2.217 282 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.246 282 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.246 282 G C -0.088 174.631 174.900 -0.301 0.000 0.990 282 G CA 0.361 45.344 45.100 -0.195 0.000 0.627 282 G HN 0.380 nan 8.290 nan 0.000 0.522 283 Y N 0.460 120.752 120.300 -0.014 0.000 2.458 283 Y HA 0.686 5.236 4.550 -0.001 0.000 0.322 283 Y C 0.929 176.885 175.900 0.094 0.000 1.259 283 Y CA -0.606 57.521 58.100 0.045 0.000 1.302 283 Y CB 0.938 39.444 38.460 0.077 0.000 1.314 283 Y HN 0.121 nan 8.280 nan 0.000 0.509 284 Q N 1.620 121.589 119.800 0.281 0.000 2.333 284 Q HA 0.532 4.871 4.340 -0.001 0.000 0.267 284 Q C -1.306 174.886 176.000 0.320 0.000 1.012 284 Q CA -0.522 55.467 55.803 0.310 0.000 0.824 284 Q CB 2.250 31.188 28.738 0.333 0.000 1.290 284 Q HN 0.507 nan 8.270 nan 0.000 0.449 285 I N 1.679 122.399 120.570 0.251 0.000 2.377 285 I HA 0.538 4.707 4.170 -0.001 0.000 0.293 285 I C -0.358 175.637 176.117 -0.203 0.000 0.987 285 I CA -0.785 60.539 61.300 0.041 0.000 1.185 285 I CB 1.651 39.657 38.000 0.011 0.000 1.341 285 I HN 0.550 nan 8.210 nan 0.000 0.455 286 A N 5.199 127.687 122.820 -0.552 0.000 2.287 286 A HA 0.832 5.152 4.320 -0.001 0.000 0.317 286 A C -0.255 176.992 177.584 -0.562 0.000 1.220 286 A CA -0.272 51.088 52.037 -1.128 0.000 0.835 286 A CB 0.864 18.984 19.000 -1.466 0.000 1.180 286 A HN 0.732 nan 8.150 nan 0.000 0.500 287 T N 0.275 114.552 114.554 -0.463 0.000 2.804 287 T HA 0.646 4.996 4.350 -0.001 0.000 0.290 287 T C 0.100 174.652 174.700 -0.247 0.000 1.099 287 T CA -0.224 61.703 62.100 -0.288 0.000 1.011 287 T CB 1.305 70.039 68.868 -0.224 0.000 1.291 287 T HN 0.872 nan 8.240 nan 0.000 0.523 288 T N 1.404 115.829 114.554 -0.215 0.000 2.832 288 T HA 0.543 4.892 4.350 -0.001 0.000 0.296 288 T C -2.540 172.045 174.700 -0.192 0.000 0.968 288 T CA -1.339 60.633 62.100 -0.214 0.000 1.107 288 T CB 0.702 69.364 68.868 -0.344 0.000 0.916 288 T HN 0.302 nan 8.240 nan 0.000 0.517 289 P HA 0.480 nan 4.420 nan 0.000 0.287 289 P C -2.861 174.411 177.300 -0.048 0.000 1.296 289 P CA -2.270 60.784 63.100 -0.076 0.000 0.811 289 P CB -0.178 31.512 31.700 -0.016 0.000 1.211 290 P HA 0.040 nan 4.420 nan 0.000 0.267 290 P C -1.497 175.874 177.300 0.120 0.000 1.200 290 P CA -0.667 62.463 63.100 0.050 0.000 0.772 290 P CB -0.766 30.973 31.700 0.065 0.000 0.855 291 P HA -0.076 nan 4.420 nan 0.000 0.242 291 P C 0.155 177.543 177.300 0.147 0.000 1.198 291 P CA 0.942 64.161 63.100 0.199 0.000 0.756 291 P CB 0.335 32.193 31.700 0.263 0.000 0.911 292 S N 0.114 115.803 115.700 -0.018 0.000 2.541 292 S HA 0.321 4.791 4.470 -0.001 0.000 0.283 292 S C 1.308 175.866 174.600 -0.069 0.000 1.196 292 S CA -0.378 57.716 58.200 -0.177 0.000 1.062 292 S CB 0.799 63.643 63.200 -0.594 0.000 1.009 292 S HN 0.111 nan 8.310 nan 0.000 0.502 293 S N 3.157 118.863 115.700 0.009 0.000 2.548 293 S HA 0.160 4.630 4.470 -0.001 0.000 0.215 293 S C 1.824 176.489 174.600 0.107 0.000 0.976 293 S CA 0.268 58.553 58.200 0.141 0.000 0.908 293 S CB -0.326 63.017 63.200 0.240 0.000 0.781 293 S HN 0.821 nan 8.310 nan 0.000 0.519 294 G N 2.365 111.144 108.800 -0.035 0.000 2.514 294 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.217 294 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.217 294 G C 1.397 176.239 174.900 -0.096 0.000 1.198 294 G CA 0.741 45.801 45.100 -0.066 0.000 0.780 294 G HN 0.612 nan 8.290 nan 0.000 0.565 295 G N 0.808 109.513 108.800 -0.157 0.000 2.421 295 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.216 295 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.216 295 G C 1.818 176.597 174.900 -0.202 0.000 1.171 295 G CA 0.845 45.839 45.100 -0.176 0.000 0.775 295 G HN 0.437 nan 8.290 nan 0.000 0.543 296 I N -0.200 120.202 120.570 -0.279 0.000 2.127 296 I HA -0.174 3.995 4.170 -0.001 0.000 0.241 296 I C 2.391 178.178 176.117 -0.550 0.000 1.075 296 I CA 1.192 62.200 61.300 -0.486 0.000 1.334 296 I CB -0.238 37.285 38.000 -0.794 0.000 1.040 296 I HN 0.091 nan 8.210 nan 0.000 0.405 297 F N -0.163 119.716 119.950 -0.118 0.000 2.558 297 F HA -0.085 4.442 4.527 -0.001 0.000 0.298 297 F C 2.028 177.733 175.800 -0.158 0.000 1.119 297 F CA 0.508 58.419 58.000 -0.148 0.000 1.451 297 F CB -0.579 38.287 39.000 -0.225 0.000 1.091 297 F HN 0.044 nan 8.300 nan 0.000 0.563 298 L N 0.175 121.369 121.223 -0.049 0.000 2.027 298 L HA -0.113 4.227 4.340 -0.001 0.000 0.206 298 L C 1.899 178.699 176.870 -0.116 0.000 1.074 298 L CA 1.860 56.646 54.840 -0.089 0.000 0.745 298 L CB -0.860 41.131 42.059 -0.114 0.000 0.898 298 L HN 0.117 nan 8.230 nan 0.000 0.433 299 L N -0.679 120.468 121.223 -0.127 0.000 2.093 299 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 299 L C 2.740 179.565 176.870 -0.075 0.000 1.085 299 L CA 1.567 56.340 54.840 -0.112 0.000 0.755 299 L CB -0.684 41.313 42.059 -0.103 0.000 0.904 299 L HN 0.498 nan 8.230 nan 0.000 0.435 300 Q N 0.074 119.833 119.800 -0.069 0.000 2.079 300 Q HA -0.193 4.146 4.340 -0.001 0.000 0.200 300 Q C 2.387 178.411 176.000 0.040 0.000 0.974 300 Q CA 1.399 57.204 55.803 0.003 0.000 0.840 300 Q CB 0.048 28.822 28.738 0.059 0.000 0.898 300 Q HN 0.484 nan 8.270 nan 0.000 0.430 301 M N 0.102 119.718 119.600 0.027 0.000 2.159 301 M HA -0.181 4.299 4.480 -0.001 0.000 0.263 301 M C 2.174 178.474 176.300 -0.000 0.000 1.063 301 M CA 1.168 56.480 55.300 0.022 0.000 1.110 301 M CB -0.214 32.383 32.600 -0.007 0.000 1.374 301 M HN 0.290 nan 8.290 nan 0.000 0.411 302 L N 0.024 121.204 121.223 -0.072 0.000 2.017 302 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 302 L C 2.483 179.372 176.870 0.031 0.000 1.073 302 L CA 1.435 56.199 54.840 -0.126 0.000 0.745 302 L CB -0.607 41.222 42.059 -0.384 0.000 0.894 302 L HN 0.270 nan 8.230 nan 0.000 0.432 303 K N 0.089 120.513 120.400 0.040 0.000 2.103 303 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 303 K C 2.048 178.705 176.600 0.095 0.000 1.048 303 K CA 1.350 57.683 56.287 0.076 0.000 0.930 303 K CB -0.226 32.299 32.500 0.042 0.000 0.716 303 K HN 0.278 nan 8.250 nan 0.000 0.444 304 I N 1.025 121.656 120.570 0.103 0.000 2.202 304 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 304 I C 2.156 178.442 176.117 0.282 0.000 1.091 304 I CA 1.103 62.497 61.300 0.156 0.000 1.368 304 I CB -0.146 37.944 38.000 0.149 0.000 1.058 304 I HN 0.082 nan 8.210 nan 0.000 0.410 305 L N 0.123 121.492 121.223 0.243 0.000 2.201 305 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 305 L C 1.849 178.910 176.870 0.319 0.000 1.105 305 L CA 1.036 56.072 54.840 0.327 0.000 0.775 305 L CB -0.562 41.604 42.059 0.179 0.000 0.913 305 L HN 0.215 nan 8.230 nan 0.000 0.440 306 D N -1.004 119.532 120.400 0.227 0.000 2.311 306 D HA -0.242 4.398 4.640 -0.001 0.000 0.212 306 D C 2.068 178.421 176.300 0.088 0.000 0.972 306 D CA 0.799 54.903 54.000 0.172 0.000 0.887 306 D CB 0.027 40.925 40.800 0.164 0.000 0.915 306 D HN 0.335 nan 8.370 nan 0.000 0.497 307 H N -1.101 117.931 119.070 -0.064 0.000 2.470 307 H HA -0.054 4.501 4.556 -0.001 0.000 0.289 307 H C 0.860 175.970 175.328 -0.364 0.000 1.033 307 H CA 0.734 56.603 56.048 -0.298 0.000 1.331 307 H CB -0.041 29.394 29.762 -0.544 0.000 1.414 307 H HN 0.178 nan 8.280 nan 0.000 0.545 308 F N 0.987 120.935 119.950 -0.004 0.000 2.773 308 F HA 0.133 4.659 4.527 -0.000 0.000 0.304 308 F C 0.522 176.311 175.800 -0.018 0.000 1.129 308 F CA 0.016 58.009 58.000 -0.011 0.000 1.378 308 F CB -0.638 38.427 39.000 0.109 0.000 1.095 308 F HN 0.040 nan 8.300 nan 0.000 0.565 309 N N 1.112 119.833 118.700 0.036 0.000 2.689 309 N HA -0.247 4.493 4.740 -0.001 0.000 0.263 309 N C 1.292 176.800 175.510 -0.003 0.000 0.987 309 N CA -0.062 52.974 53.050 -0.023 0.000 0.782 309 N CB -0.812 37.604 38.487 -0.119 0.000 0.903 309 N HN 0.371 nan 8.380 nan 0.000 0.547 310 L N -0.105 121.187 121.223 0.114 0.000 2.064 310 L HA -0.288 4.051 4.340 -0.001 0.000 0.216 310 L C 2.247 179.160 176.870 0.072 0.000 1.077 310 L CA 2.239 57.176 54.840 0.163 0.000 0.766 310 L CB -0.478 41.654 42.059 0.121 0.000 0.890 310 L HN 0.661 nan 8.230 nan 0.000 0.435 311 S N -1.176 114.516 115.700 -0.015 0.000 2.701 311 S HA -0.104 4.365 4.470 -0.001 0.000 0.220 311 S C 1.480 176.002 174.600 -0.130 0.000 0.954 311 S CA 0.321 58.491 58.200 -0.051 0.000 0.936 311 S CB -0.138 63.039 63.200 -0.038 0.000 0.777 311 S HN 0.667 nan 8.310 nan 0.000 0.518 312 Q N -0.570 119.067 119.800 -0.272 0.000 2.389 312 Q HA 0.117 4.457 4.340 -0.001 0.000 0.204 312 Q C -0.485 175.247 176.000 -0.448 0.000 0.944 312 Q CA 0.202 55.772 55.803 -0.388 0.000 0.908 312 Q CB -0.331 28.085 28.738 -0.536 0.000 1.002 312 Q HN 0.655 nan 8.270 nan 0.000 0.493 313 Y N 1.725 121.963 120.300 -0.103 0.000 2.376 313 Y HA 0.270 4.820 4.550 -0.000 0.000 0.325 313 Y C 0.349 176.172 175.900 -0.128 0.000 1.199 313 Y CA -1.575 56.441 58.100 -0.141 0.000 1.206 313 Y CB 0.666 38.999 38.460 -0.210 0.000 1.229 313 Y HN -0.024 nan 8.280 nan 0.000 0.480 314 D N 0.610 121.039 120.400 0.048 0.000 2.400 314 D HA 0.007 4.646 4.640 -0.001 0.000 0.238 314 D C 1.187 177.458 176.300 -0.048 0.000 1.157 314 D CA 0.290 54.287 54.000 -0.004 0.000 0.889 314 D CB 1.603 42.407 40.800 0.006 0.000 1.199 314 D HN 0.409 nan 8.370 nan 0.000 0.436 315 V N 2.464 122.342 119.914 -0.058 0.000 2.469 315 V HA -0.209 3.910 4.120 -0.001 0.000 0.251 315 V C 1.759 177.740 176.094 -0.188 0.000 1.064 315 V CA 1.547 63.782 62.300 -0.109 0.000 1.066 315 V CB -0.506 31.279 31.823 -0.065 0.000 0.667 315 V HN 0.443 nan 8.190 nan 0.000 0.461 316 R N 0.582 121.031 120.500 -0.086 0.000 2.586 316 R HA 0.240 4.579 4.340 -0.001 0.000 0.336 316 R C 0.669 177.037 176.300 0.113 0.000 1.060 316 R CA 0.144 56.246 56.100 0.004 0.000 1.079 316 R CB 0.521 30.914 30.300 0.155 0.000 1.317 316 R HN 0.626 nan 8.270 nan 0.000 0.568 317 S N 0.442 116.122 115.700 -0.033 0.000 2.576 317 S HA 0.004 4.474 4.470 -0.001 0.000 0.276 317 S C 1.423 176.030 174.600 0.012 0.000 1.339 317 S CA -1.007 57.188 58.200 -0.008 0.000 1.039 317 S CB 0.567 63.687 63.200 -0.135 0.000 0.902 317 S HN 0.527 nan 8.310 nan 0.000 0.516 318 W N 2.184 123.545 121.300 0.101 0.000 2.331 318 W HA -0.198 4.462 4.660 -0.001 0.000 0.291 318 W C 0.700 177.214 176.519 -0.008 0.000 1.214 318 W CA 1.448 58.857 57.345 0.107 0.000 1.228 318 W CB -1.143 28.333 29.460 0.027 0.000 1.135 318 W HN 0.712 nan 8.180 nan 0.000 0.537 319 E N 1.199 120.662 120.200 -1.227 0.000 2.051 319 E HA -0.221 4.128 4.350 -0.001 0.000 0.192 319 E C 2.230 178.355 176.600 -0.791 0.000 0.991 319 E CA 2.243 57.779 56.400 -1.441 0.000 0.799 319 E CB -0.593 27.954 29.700 -1.921 0.000 0.748 319 E HN 0.180 nan 8.360 nan 0.000 0.449 320 K N -0.070 119.969 120.400 -0.603 0.000 2.032 320 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 320 K C 1.883 178.299 176.600 -0.307 0.000 1.048 320 K CA 1.462 57.498 56.287 -0.419 0.000 0.927 320 K CB -0.240 32.005 32.500 -0.425 0.000 0.712 320 K HN 0.190 nan 8.250 nan 0.000 0.441 321 Y N 1.050 121.260 120.300 -0.150 0.000 2.333 321 Y HA -0.188 4.362 4.550 -0.001 0.000 0.290 321 Y C 2.626 178.463 175.900 -0.105 0.000 1.144 321 Y CA 1.474 59.520 58.100 -0.090 0.000 1.228 321 Y CB -0.490 37.950 38.460 -0.033 0.000 0.985 321 Y HN 0.326 nan 8.280 nan 0.000 0.542 322 Q N 0.706 120.523 119.800 0.029 0.000 2.046 322 Q HA -0.127 4.213 4.340 -0.001 0.000 0.200 322 Q C 1.905 177.823 176.000 -0.137 0.000 0.975 322 Q CA 1.733 57.528 55.803 -0.014 0.000 0.836 322 Q CB -0.641 28.114 28.738 0.029 0.000 0.896 322 Q HN 0.546 nan 8.270 nan 0.000 0.428 323 L N -0.216 120.861 121.223 -0.244 0.000 2.046 323 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 323 L C 2.449 179.191 176.870 -0.213 0.000 1.077 323 L CA 0.956 55.595 54.840 -0.336 0.000 0.747 323 L CB -0.486 41.335 42.059 -0.395 0.000 0.896 323 L HN 0.299 nan 8.230 nan 0.000 0.432 324 L N -0.453 120.692 121.223 -0.131 0.000 1.994 324 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 324 L C 2.936 179.757 176.870 -0.082 0.000 1.071 324 L CA 1.347 56.146 54.840 -0.068 0.000 0.745 324 L CB -0.813 41.237 42.059 -0.015 0.000 0.892 324 L HN 0.250 nan 8.230 nan 0.000 0.431 325 A N -0.266 122.488 122.820 -0.110 0.000 1.892 325 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 325 A C 2.191 179.545 177.584 -0.384 0.000 1.188 325 A CA 1.769 53.663 52.037 -0.239 0.000 0.631 325 A CB -0.467 18.402 19.000 -0.220 0.000 0.822 325 A HN 0.406 nan 8.150 nan 0.000 0.447 326 E N -0.558 119.492 120.200 -0.250 0.000 2.110 326 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 326 E C 2.158 178.713 176.600 -0.076 0.000 0.988 326 E CA 1.683 57.983 56.400 -0.168 0.000 0.804 326 E CB -0.795 28.828 29.700 -0.128 0.000 0.745 326 E HN 0.625 nan 8.360 nan 0.000 0.458 327 T N 1.369 115.878 114.554 -0.075 0.000 2.777 327 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 327 T C 2.050 176.785 174.700 0.058 0.000 1.040 327 T CA 1.144 63.246 62.100 0.005 0.000 1.141 327 T CB -0.135 68.736 68.868 0.005 0.000 0.868 327 T HN 0.107 nan 8.240 nan 0.000 0.444 328 M N 0.285 119.920 119.600 0.059 0.000 2.117 328 M HA -0.101 4.378 4.480 -0.001 0.000 0.262 328 M C 2.146 178.653 176.300 0.346 0.000 1.065 328 M CA 1.648 57.083 55.300 0.224 0.000 1.114 328 M CB -0.542 32.210 32.600 0.253 0.000 1.361 328 M HN 0.432 nan 8.290 nan 0.000 0.408 329 H N 0.017 119.163 119.070 0.126 0.000 2.352 329 H HA -0.127 4.429 4.556 -0.001 0.000 0.299 329 H C 2.120 177.499 175.328 0.084 0.000 1.097 329 H CA 1.124 57.224 56.048 0.088 0.000 1.311 329 H CB -0.003 29.782 29.762 0.038 0.000 1.377 329 H HN 0.334 nan 8.280 nan 0.000 0.504 330 L N -0.341 121.005 121.223 0.205 0.000 2.044 330 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 330 L C 2.612 179.550 176.870 0.114 0.000 1.075 330 L CA 0.743 55.666 54.840 0.138 0.000 0.747 330 L CB -0.304 41.820 42.059 0.109 0.000 0.903 330 L HN 0.161 nan 8.230 nan 0.000 0.435 331 S N -0.999 114.753 115.700 0.086 0.000 2.368 331 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 331 S C 1.896 176.294 174.600 -0.337 0.000 1.030 331 S CA 1.257 59.444 58.200 -0.022 0.000 0.999 331 S CB -0.358 62.831 63.200 -0.019 0.000 0.844 331 S HN 0.325 nan 8.310 nan 0.000 0.459 332 Y N 1.456 121.654 120.300 -0.170 0.000 2.421 332 Y HA 0.002 4.552 4.550 -0.001 0.000 0.292 332 Y C 2.476 178.242 175.900 -0.224 0.000 1.136 332 Y CA 0.566 58.516 58.100 -0.251 0.000 1.255 332 Y CB -0.354 38.036 38.460 -0.117 0.000 0.991 332 Y HN 0.282 nan 8.280 nan 0.000 0.552 333 A N -0.095 122.730 122.820 0.009 0.000 1.897 333 A HA -0.156 4.163 4.320 -0.001 0.000 0.215 333 A C 1.796 179.341 177.584 -0.065 0.000 1.181 333 A CA 1.842 53.869 52.037 -0.017 0.000 0.620 333 A CB -0.496 18.521 19.000 0.030 0.000 0.821 333 A HN 0.279 nan 8.150 nan 0.000 0.443 334 D N -0.680 119.702 120.400 -0.030 0.000 2.144 334 D HA -0.135 4.505 4.640 -0.001 0.000 0.200 334 D C 2.068 178.331 176.300 -0.061 0.000 0.978 334 D CA 1.143 55.216 54.000 0.123 0.000 0.833 334 D CB -0.308 40.774 40.800 0.470 0.000 0.961 334 D HN 0.519 nan 8.370 nan 0.000 0.470 335 R N 0.727 120.865 120.500 -0.604 0.000 2.091 335 R HA -0.124 4.215 4.340 -0.001 0.000 0.238 335 R C 2.038 178.230 176.300 -0.180 0.000 1.136 335 R CA 1.589 57.319 56.100 -0.617 0.000 0.959 335 R CB -0.178 29.554 30.300 -0.947 0.000 0.856 335 R HN 0.093 nan 8.270 nan 0.000 0.437 336 A N -0.182 122.540 122.820 -0.163 0.000 1.972 336 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 336 A C 2.142 179.653 177.584 -0.121 0.000 1.169 336 A CA 1.843 53.820 52.037 -0.101 0.000 0.635 336 A CB -0.298 18.654 19.000 -0.081 0.000 0.810 336 A HN 0.435 nan 8.150 nan 0.000 0.446 337 S N -2.069 113.496 115.700 -0.225 0.000 2.406 337 S HA 0.055 4.525 4.470 -0.001 0.000 0.224 337 S C 1.109 175.510 174.600 -0.331 0.000 1.030 337 S CA 0.937 58.894 58.200 -0.405 0.000 0.958 337 S CB -0.247 62.428 63.200 -0.876 0.000 0.811 337 S HN 0.699 nan 8.310 nan 0.000 0.489 338 Y N 0.438 120.855 120.300 0.195 0.000 2.500 338 Y HA 0.583 5.133 4.550 -0.001 0.000 0.246 338 Y C 0.566 176.544 175.900 0.131 0.000 1.146 338 Y CA -1.094 57.152 58.100 0.244 0.000 1.230 338 Y CB -0.069 38.535 38.460 0.240 0.000 1.214 338 Y HN 0.103 nan 8.280 nan 0.000 0.526 339 A N 0.581 123.522 122.820 0.203 0.000 2.290 339 A HA 0.803 5.123 4.320 -0.001 0.000 0.310 339 A C 0.540 178.147 177.584 0.038 0.000 1.202 339 A CA 0.325 52.460 52.037 0.165 0.000 0.837 339 A CB 0.167 19.314 19.000 0.244 0.000 1.139 339 A HN 0.358 nan 8.150 nan 0.000 0.509 340 G N 0.538 109.365 108.800 0.044 0.000 2.548 340 G HA2 0.443 4.402 3.960 -0.001 0.000 0.301 340 G HA3 0.443 4.402 3.960 -0.001 0.000 0.301 340 G C -1.645 173.310 174.900 0.091 0.000 1.349 340 G CA -0.619 44.496 45.100 0.026 0.000 0.792 340 G HN 0.608 nan 8.290 nan 0.000 0.481 341 D N 1.002 121.471 120.400 0.115 0.000 2.412 341 D HA 0.176 4.816 4.640 -0.001 0.000 0.257 341 D C -0.705 175.736 176.300 0.235 0.000 1.217 341 D CA -1.601 52.512 54.000 0.187 0.000 0.897 341 D CB 1.715 42.638 40.800 0.206 0.000 1.132 341 D HN 0.048 nan 8.370 nan 0.000 0.493 342 P HA -0.107 nan 4.420 nan 0.000 0.230 342 P C 0.613 178.009 177.300 0.161 0.000 1.158 342 P CA 0.795 63.997 63.100 0.171 0.000 0.769 342 P CB 0.341 32.117 31.700 0.127 0.000 0.807 343 E N -1.437 118.880 120.200 0.194 0.000 2.347 343 E HA -0.054 4.296 4.350 -0.001 0.000 0.196 343 E C 1.095 177.607 176.600 -0.147 0.000 1.008 343 E CA 0.840 57.261 56.400 0.035 0.000 0.852 343 E CB -0.285 29.437 29.700 0.037 0.000 0.783 343 E HN 0.394 nan 8.360 nan 0.000 0.505 344 F N -0.578 119.422 119.950 0.082 0.000 2.711 344 F HA 0.089 4.615 4.527 -0.001 0.000 0.296 344 F C 0.665 176.539 175.800 0.124 0.000 1.096 344 F CA -0.489 57.565 58.000 0.089 0.000 1.280 344 F CB 1.025 40.072 39.000 0.078 0.000 1.060 344 F HN -0.198 nan 8.300 nan 0.000 0.608 345 V N -2.046 118.056 119.914 0.313 0.000 2.962 345 V HA 0.545 4.665 4.120 -0.001 0.000 0.313 345 V C -0.984 175.321 176.094 0.351 0.000 1.099 345 V CA -1.195 61.308 62.300 0.338 0.000 0.971 345 V CB 1.671 33.615 31.823 0.202 0.000 1.028 345 V HN -0.018 nan 8.190 nan 0.000 0.430 346 N N 1.851 120.847 118.700 0.495 0.000 2.415 346 N HA 0.404 5.143 4.740 -0.001 0.000 0.246 346 N C -0.508 175.355 175.510 0.589 0.000 1.078 346 N CA -0.127 53.200 53.050 0.460 0.000 0.942 346 N CB 1.491 40.222 38.487 0.407 0.000 1.140 346 N HN 0.641 nan 8.380 nan 0.000 0.501 347 V N 4.495 124.611 119.914 0.335 0.000 2.406 347 V HA 0.222 4.341 4.120 -0.001 0.000 0.272 347 V C -1.483 174.616 176.094 0.008 0.000 1.043 347 V CA -1.281 61.147 62.300 0.213 0.000 0.915 347 V CB 1.431 33.327 31.823 0.122 0.000 0.988 347 V HN 0.519 nan 8.190 nan 0.000 0.466 348 P HA 0.108 nan 4.420 nan 0.000 0.225 348 P C 1.110 178.144 177.300 -0.443 0.000 1.768 348 P CA 0.031 62.716 63.100 -0.692 0.000 0.943 348 P CB 0.468 31.149 31.700 -1.699 0.000 1.936 349 L N 0.854 121.933 121.223 -0.240 0.000 1.990 349 L HA -0.219 4.120 4.340 -0.001 0.000 0.213 349 L C 2.577 179.335 176.870 -0.186 0.000 1.072 349 L CA 1.846 56.566 54.840 -0.200 0.000 0.755 349 L CB -0.309 41.682 42.059 -0.113 0.000 0.889 349 L HN 0.101 nan 8.230 nan 0.000 0.432 350 K N -0.551 119.770 120.400 -0.132 0.000 2.032 350 K HA -0.186 4.134 4.320 -0.001 0.000 0.209 350 K C 1.851 178.400 176.600 -0.085 0.000 1.048 350 K CA 1.629 57.873 56.287 -0.070 0.000 0.927 350 K CB -0.391 32.101 32.500 -0.014 0.000 0.712 350 K HN 0.501 nan 8.250 nan 0.000 0.441 351 G N 1.204 109.881 108.800 -0.204 0.000 2.422 351 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.218 351 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.218 351 G C 1.506 176.150 174.900 -0.426 0.000 1.140 351 G CA 0.389 45.336 45.100 -0.255 0.000 0.775 351 G HN 0.230 nan 8.290 nan 0.000 0.545 352 L N -0.376 120.567 121.223 -0.467 0.000 2.275 352 L HA 0.137 4.477 4.340 -0.001 0.000 0.215 352 L C 2.129 178.952 176.870 -0.078 0.000 1.119 352 L CA 0.535 55.138 54.840 -0.395 0.000 0.790 352 L CB -0.035 41.831 42.059 -0.322 0.000 0.919 352 L HN 0.199 nan 8.230 nan 0.000 0.443 353 L N -2.491 118.682 121.223 -0.084 0.000 2.766 353 L HA 0.137 4.477 4.340 -0.001 0.000 0.242 353 L C 0.527 177.395 176.870 -0.002 0.000 1.136 353 L CA -0.470 54.355 54.840 -0.025 0.000 0.933 353 L CB -0.145 41.873 42.059 -0.068 0.000 1.241 353 L HN 0.102 nan 8.230 nan 0.000 0.522 354 H N 3.100 122.124 119.070 -0.077 0.000 3.034 354 H HA 0.004 4.559 4.556 -0.001 0.000 0.324 354 H C -1.317 173.933 175.328 -0.131 0.000 1.015 354 H CA -0.751 55.236 56.048 -0.101 0.000 1.429 354 H CB 1.046 30.724 29.762 -0.140 0.000 1.429 354 H HN -0.122 nan 8.280 nan 0.000 0.585 355 P HA -0.209 nan 4.420 nan 0.000 0.216 355 P C 0.471 177.701 177.300 -0.116 0.000 1.150 355 P CA 1.438 64.412 63.100 -0.210 0.000 0.843 355 P CB 0.427 31.979 31.700 -0.248 0.000 0.787 356 D N -1.837 118.560 120.400 -0.006 0.000 2.277 356 D HA -0.116 4.524 4.640 -0.001 0.000 0.208 356 D C 1.929 177.962 176.300 -0.445 0.000 0.962 356 D CA 0.629 54.551 54.000 -0.130 0.000 0.865 356 D CB -0.586 40.232 40.800 0.030 0.000 0.939 356 D HN 0.220 nan 8.370 nan 0.000 0.510 357 Y N 1.684 121.509 120.300 -0.791 0.000 2.220 357 Y HA -0.123 4.426 4.550 -0.001 0.000 0.291 357 Y C 2.079 177.871 175.900 -0.182 0.000 1.129 357 Y CA 0.861 58.631 58.100 -0.550 0.000 1.161 357 Y CB -0.122 38.112 38.460 -0.376 0.000 0.997 357 Y HN -0.194 nan 8.280 nan 0.000 0.522 358 I N 0.744 121.237 120.570 -0.128 0.000 2.208 358 I HA -0.309 3.861 4.170 -0.001 0.000 0.245 358 I C 2.132 178.145 176.117 -0.173 0.000 1.097 358 I CA 1.603 62.827 61.300 -0.127 0.000 1.363 358 I CB -1.142 36.832 38.000 -0.044 0.000 1.051 358 I HN 0.281 nan 8.210 nan 0.000 0.413 359 K N 0.440 120.738 120.400 -0.170 0.000 2.097 359 K HA -0.162 4.157 4.320 -0.001 0.000 0.205 359 K C 2.004 178.504 176.600 -0.166 0.000 1.050 359 K CA 1.055 57.236 56.287 -0.177 0.000 0.938 359 K CB -0.049 32.372 32.500 -0.132 0.000 0.718 359 K HN 0.366 nan 8.250 nan 0.000 0.442 360 E N 0.205 120.303 120.200 -0.170 0.000 2.077 360 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 360 E C 2.066 178.572 176.600 -0.156 0.000 0.989 360 E CA 0.851 57.172 56.400 -0.132 0.000 0.800 360 E CB 0.190 29.823 29.700 -0.113 0.000 0.746 360 E HN 0.147 nan 8.360 nan 0.000 0.452 361 R N 0.686 121.033 120.500 -0.255 0.000 2.075 361 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 361 R C 2.199 178.475 176.300 -0.040 0.000 1.126 361 R CA 1.036 57.032 56.100 -0.172 0.000 0.963 361 R CB -0.611 29.551 30.300 -0.230 0.000 0.858 361 R HN 0.350 nan 8.270 nan 0.000 0.435 362 Q N 0.479 120.250 119.800 -0.049 0.000 2.124 362 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 362 Q C 2.049 178.076 176.000 0.045 0.000 0.977 362 Q CA 1.341 57.164 55.803 0.033 0.000 0.850 362 Q CB -0.121 28.471 28.738 -0.243 0.000 0.901 362 Q HN 0.130 nan 8.270 nan 0.000 0.429 363 Q N 0.747 120.512 119.800 -0.058 0.000 2.297 363 Q HA -0.089 4.251 4.340 -0.001 0.000 0.208 363 Q C 1.500 177.529 176.000 0.049 0.000 0.981 363 Q CA 1.156 56.947 55.803 -0.020 0.000 0.876 363 Q CB -0.031 28.683 28.738 -0.041 0.000 0.921 363 Q HN 0.398 nan 8.270 nan 0.000 0.446 364 L N -0.487 120.767 121.223 0.053 0.000 2.554 364 L HA 0.149 4.488 4.340 -0.001 0.000 0.226 364 L C 0.177 177.098 176.870 0.085 0.000 1.137 364 L CA -0.058 54.819 54.840 0.062 0.000 0.863 364 L CB 0.118 42.204 42.059 0.044 0.000 0.985 364 L HN 0.107 nan 8.230 nan 0.000 0.451 365 I N 0.457 121.107 120.570 0.133 0.000 2.336 365 I HA 0.197 4.367 4.170 -0.001 0.000 0.292 365 I C -0.414 175.787 176.117 0.140 0.000 0.991 365 I CA -0.254 61.105 61.300 0.100 0.000 1.227 365 I CB 1.204 39.232 38.000 0.046 0.000 1.366 365 I HN 0.071 nan 8.210 nan 0.000 0.466 366 N N 6.357 125.097 118.700 0.068 0.000 2.314 366 N HA 0.265 5.004 4.740 -0.001 0.000 0.294 366 N C 0.630 176.170 175.510 0.051 0.000 1.029 366 N CA -0.596 52.515 53.050 0.101 0.000 0.845 366 N CB 2.956 41.499 38.487 0.094 0.000 1.321 366 N HN 0.617 nan 8.380 nan 0.000 0.481 367 L N 1.186 122.454 121.223 0.075 0.000 2.042 367 L HA -0.123 4.217 4.340 -0.001 0.000 0.210 367 L C 0.740 177.710 176.870 0.168 0.000 1.076 367 L CA 1.746 56.606 54.840 0.034 0.000 0.749 367 L CB 0.193 42.275 42.059 0.039 0.000 0.893 367 L HN 0.443 nan 8.230 nan 0.000 0.432 368 D N -0.900 119.604 120.400 0.173 0.000 2.339 368 D HA 0.049 4.688 4.640 -0.001 0.000 0.217 368 D C 0.211 176.562 176.300 0.086 0.000 1.050 368 D CA 0.360 54.463 54.000 0.172 0.000 0.856 368 D CB 0.588 41.470 40.800 0.137 0.000 0.922 368 D HN 0.321 nan 8.370 nan 0.000 0.518 369 Q N -0.472 119.372 119.800 0.075 0.000 2.501 369 Q HA 0.391 4.731 4.340 -0.001 0.000 0.288 369 Q C -1.328 174.698 176.000 0.042 0.000 1.051 369 Q CA -0.740 55.090 55.803 0.044 0.000 0.788 369 Q CB 2.997 31.759 28.738 0.040 0.000 1.469 369 Q HN -0.237 nan 8.270 nan 0.000 0.416 370 V N 2.798 122.733 119.914 0.035 0.000 2.394 370 V HA 0.372 4.492 4.120 -0.001 0.000 0.282 370 V C -0.312 175.812 176.094 0.050 0.000 1.031 370 V CA -0.864 61.462 62.300 0.043 0.000 0.881 370 V CB 1.413 33.262 31.823 0.043 0.000 0.982 370 V HN 0.718 nan 8.190 nan 0.000 0.451 371 N N 4.375 123.114 118.700 0.065 0.000 2.448 371 N HA 0.124 4.864 4.740 -0.001 0.000 0.250 371 N C 0.762 176.314 175.510 0.070 0.000 1.136 371 N CA 0.024 53.112 53.050 0.063 0.000 0.953 371 N CB 0.490 39.019 38.487 0.069 0.000 1.251 371 N HN 0.563 nan 8.380 nan 0.000 0.502 372 K N 1.882 122.308 120.400 0.044 0.000 2.555 372 K HA 0.026 4.346 4.320 -0.001 0.000 0.193 372 K C -0.088 176.514 176.600 0.003 0.000 1.032 372 K CA 0.758 57.060 56.287 0.025 0.000 1.004 372 K CB 0.222 32.731 32.500 0.014 0.000 0.804 372 K HN 0.431 nan 8.250 nan 0.000 0.496 373 K N 1.446 121.853 120.400 0.012 0.000 3.029 373 K HA 0.168 4.488 4.320 -0.001 0.000 0.169 373 K C -2.748 173.859 176.600 0.012 0.000 1.090 373 K CA -1.293 54.994 56.287 0.001 0.000 0.883 373 K CB 1.425 33.931 32.500 0.009 0.000 1.080 373 K HN -0.031 nan 8.250 nan 0.000 0.613 374 P HA 0.121 nan 4.420 nan 0.000 0.271 374 P C -0.852 176.460 177.300 0.020 0.000 1.216 374 P CA -0.153 62.965 63.100 0.032 0.000 0.771 374 P CB 1.109 32.834 31.700 0.041 0.000 0.864 375 K N 1.164 121.594 120.400 0.050 0.000 2.512 375 K HA 0.653 4.973 4.320 -0.001 0.000 0.263 375 K C -0.545 176.113 176.600 0.096 0.000 0.966 375 K CA -0.970 55.351 56.287 0.056 0.000 0.851 375 K CB 2.261 34.798 32.500 0.062 0.000 1.395 375 K HN 0.447 nan 8.250 nan 0.000 0.440 376 A N 0.845 123.725 122.820 0.101 0.000 2.445 376 A HA 0.495 4.814 4.320 -0.001 0.000 0.242 376 A C 0.454 178.209 177.584 0.285 0.000 1.075 376 A CA 0.488 52.637 52.037 0.187 0.000 0.777 376 A CB 0.029 19.079 19.000 0.083 0.000 1.013 376 A HN 0.752 nan 8.150 nan 0.000 0.493 377 G N -0.369 108.682 108.800 0.419 0.000 2.531 377 G HA2 0.450 4.410 3.960 -0.001 0.000 0.281 377 G HA3 0.450 4.410 3.960 -0.001 0.000 0.281 377 G C -0.862 174.352 174.900 0.522 0.000 1.382 377 G CA 0.050 45.412 45.100 0.437 0.000 1.045 377 G HN 0.711 nan 8.290 nan 0.000 0.533 378 D N -0.566 120.132 120.400 0.498 0.000 2.462 378 D HA 0.341 4.981 4.640 -0.001 0.000 0.249 378 D C -1.405 174.958 176.300 0.106 0.000 1.117 378 D CA -2.085 52.098 54.000 0.305 0.000 0.900 378 D CB 1.734 42.695 40.800 0.269 0.000 1.039 378 D HN 0.010 nan 8.370 nan 0.000 0.516 379 P HA -0.027 nan 4.420 nan 0.000 0.233 379 P C 0.987 177.957 177.300 -0.549 0.000 1.167 379 P CA 0.340 62.928 63.100 -0.852 0.000 0.770 379 P CB 0.053 31.006 31.700 -1.246 0.000 0.837 380 W N 1.460 122.615 121.300 -0.241 0.000 2.465 380 W HA 0.051 4.711 4.660 -0.001 0.000 0.268 380 W C 2.207 178.616 176.519 -0.183 0.000 1.242 380 W CA 0.397 57.631 57.345 -0.185 0.000 1.248 380 W CB -0.638 28.732 29.460 -0.149 0.000 1.118 380 W HN -0.050 nan 8.180 nan 0.000 0.587 381 K N -0.628 119.735 120.400 -0.061 0.000 2.280 381 K HA -0.143 4.176 4.320 -0.001 0.000 0.202 381 K C 0.411 176.657 176.600 -0.590 0.000 1.047 381 K CA 0.966 57.053 56.287 -0.333 0.000 0.942 381 K CB -0.315 31.855 32.500 -0.550 0.000 0.739 381 K HN 0.266 nan 8.250 nan 0.000 0.457 382 Y N 0.854 121.064 120.300 -0.150 0.000 2.607 382 Y HA 0.113 4.662 4.550 -0.001 0.000 0.266 382 Y C 0.198 175.974 175.900 -0.207 0.000 1.178 382 Y CA -0.513 57.413 58.100 -0.289 0.000 1.226 382 Y CB 0.299 38.522 38.460 -0.395 0.000 1.144 382 Y HN 0.096 nan 8.280 nan 0.000 0.528 383 Q N -2.621 117.167 119.800 -0.020 0.000 2.738 383 Q HA 0.388 4.728 4.340 -0.001 0.000 0.301 383 Q C -1.242 174.806 176.000 0.080 0.000 0.901 383 Q CA -1.170 54.650 55.803 0.028 0.000 0.756 383 Q CB 1.366 30.103 28.738 -0.003 0.000 1.463 383 Q HN -0.160 nan 8.270 nan 0.000 0.432 384 E N 0.079 120.335 120.200 0.093 0.000 2.345 384 E HA 0.595 4.945 4.350 -0.001 0.000 0.259 384 E C 0.491 177.195 176.600 0.173 0.000 1.117 384 E CA 0.958 57.416 56.400 0.097 0.000 0.913 384 E CB 1.033 30.771 29.700 0.063 0.000 1.057 384 E HN 0.955 nan 8.360 nan 0.000 0.432 385 G N 0.649 109.501 108.800 0.088 0.000 2.660 385 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.215 385 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.215 385 G C -0.576 174.185 174.900 -0.230 0.000 1.345 385 G CA -0.192 44.918 45.100 0.016 0.000 0.877 385 G HN 1.098 nan 8.290 nan 0.000 0.549 386 S N -1.595 113.703 115.700 -0.670 0.000 2.587 386 S HA 0.905 5.375 4.470 -0.001 0.000 0.269 386 S C -0.090 173.634 174.600 -1.460 0.000 1.154 386 S CA 0.513 57.837 58.200 -1.459 0.000 0.824 386 S CB 1.214 63.954 63.200 -0.766 0.000 1.118 386 S HN 2.584 nan 8.310 nan 0.000 0.462 387 A N 1.858 123.751 122.820 -1.545 0.000 2.477 387 A HA 0.447 4.767 4.320 -0.001 0.000 0.246 387 A C 0.709 177.872 177.584 -0.702 0.000 1.078 387 A CA -0.333 51.125 52.037 -0.965 0.000 0.770 387 A CB -0.435 17.938 19.000 -1.045 0.000 1.011 387 A HN 0.913 nan 8.150 nan 0.000 0.494 388 N N 1.422 119.865 118.700 -0.429 0.000 2.714 388 N HA 0.323 5.062 4.740 -0.001 0.000 0.298 388 N C -0.905 174.639 175.510 0.056 0.000 1.298 388 N CA -0.183 52.795 53.050 -0.120 0.000 1.007 388 N CB -0.513 38.009 38.487 0.057 0.000 1.318 388 N HN 0.639 nan 8.380 nan 0.000 0.516 389 Y N -2.728 117.614 120.300 0.069 0.000 2.750 389 Y HA 0.547 5.097 4.550 -0.001 0.000 0.335 389 Y C -0.746 175.201 175.900 0.078 0.000 1.252 389 Y CA -1.441 56.711 58.100 0.086 0.000 1.064 389 Y CB 0.736 39.271 38.460 0.125 0.000 1.321 389 Y HN -0.238 nan 8.280 nan 0.000 0.451 390 K N 0.223 120.790 120.400 0.278 0.000 2.267 390 K HA 0.480 4.800 4.320 -0.001 0.000 0.236 390 K C -0.972 175.769 176.600 0.236 0.000 1.030 390 K CA -1.288 55.104 56.287 0.176 0.000 0.930 390 K CB 0.681 33.249 32.500 0.113 0.000 1.182 390 K HN 0.483 nan 8.250 nan 0.000 0.474 391 Q N 1.498 121.385 119.800 0.144 0.000 2.372 391 Q HA 0.335 4.674 4.340 -0.001 0.000 0.259 391 Q C -1.106 174.938 176.000 0.073 0.000 0.993 391 Q CA -0.411 55.457 55.803 0.108 0.000 0.854 391 Q CB 1.504 30.288 28.738 0.077 0.000 1.231 391 Q HN 0.257 nan 8.270 nan 0.000 0.462 392 V N 2.152 122.103 119.914 0.063 0.000 2.531 392 V HA 0.199 4.318 4.120 -0.001 0.000 0.301 392 V C 0.093 176.204 176.094 0.027 0.000 1.034 392 V CA -1.033 61.295 62.300 0.047 0.000 0.865 392 V CB 2.057 33.914 31.823 0.057 0.000 0.995 392 V HN 0.676 nan 8.190 nan 0.000 0.424 393 E N 4.510 124.722 120.200 0.020 0.000 2.413 393 E HA 0.190 4.540 4.350 -0.001 0.000 0.263 393 E C -0.487 176.119 176.600 0.010 0.000 1.015 393 E CA 0.166 56.570 56.400 0.007 0.000 0.916 393 E CB 0.624 30.327 29.700 0.005 0.000 0.947 393 E HN 0.549 nan 8.360 nan 0.000 0.440 394 Q N 3.782 123.582 119.800 0.000 0.000 2.351 394 Q HA 0.455 4.795 4.340 -0.001 0.000 0.273 394 Q C -1.913 174.084 176.000 -0.005 0.000 1.077 394 Q CA -1.895 53.911 55.803 0.004 0.000 0.843 394 Q CB 0.965 29.703 28.738 -0.001 0.000 1.367 394 Q HN 0.675 nan 8.270 nan 0.000 0.449 395 P HA 0.000 nan 4.420 nan 0.000 0.216 395 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 395 P CB 0.000 31.709 31.700 0.015 0.000 0.726