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 2cib_1_A DATA FIRST_RESID 5 DATA SEQUENCE ALPRVSGGHD EHGHLEEFRT DPIGLMQRVR DELGDVGTFQ LAGKQVVLLS DATA SEQUENCE GSHANEFFFR AGDDDLDQAK AYPFMTPIFG XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE LRGEQMKGHA ATIEDQVRRM IADWGEAGEI DLLDFFAELT IYTSSACLIG DATA SEQUENCE KKFRDQLDGR FAKLYHELER GTDPLAYVDP YLPIESFRRR DEARNGLVAL DATA SEQUENCE VADIMNGRIA NPXXXXXDRD MLDVLIAVKA ETGTPRFSAD EITGMFISMM DATA SEQUENCE FAGHHTSSGT ASWTLIELMR HRDAYAAVID ELDELYGDGR SVSFHALRQI DATA SEQUENCE PQLENVLKET LRLHPPLIIL MRVAKGEFEV QGHRIHEGDL VAASPAISNR DATA SEQUENCE IPEDFPDPHD FVPARYEQPR QEDLLNRWTW IPFGAGRHRC VGAAFAIMQI DATA SEQUENCE KAIFSVLLRE YEFEMAQPPE SYRNDHSKMV VQLAQPAAVR YRRRT 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.622 177.584 0.063 0.000 1.274 5 A CA 0.000 52.065 52.037 0.047 0.000 0.836 5 A CB 0.000 19.019 19.000 0.032 0.000 0.831 6 L N 3.460 124.716 121.223 0.056 0.000 2.452 6 L HA 0.362 4.701 4.340 -0.001 0.000 0.267 6 L C -1.475 175.392 176.870 -0.006 0.000 1.188 6 L CA -1.532 53.327 54.840 0.030 0.000 0.821 6 L CB 0.457 42.510 42.059 -0.010 0.000 1.102 6 L HN 0.562 nan 8.230 nan 0.000 0.470 7 P HA 0.042 nan 4.420 nan 0.000 0.265 7 P C -1.022 176.257 177.300 -0.035 0.000 1.193 7 P CA -0.180 62.900 63.100 -0.033 0.000 0.765 7 P CB 0.817 32.477 31.700 -0.067 0.000 0.823 8 R N 2.956 123.459 120.500 0.005 0.000 2.494 8 R HA 0.433 4.773 4.340 -0.001 0.000 0.305 8 R C -1.035 175.287 176.300 0.036 0.000 0.959 8 R CA -1.118 54.996 56.100 0.024 0.000 0.864 8 R CB 0.966 31.303 30.300 0.063 0.000 1.159 8 R HN 0.292 nan 8.270 nan 0.000 0.446 9 V N 4.380 124.298 119.914 0.007 0.000 2.963 9 V HA 0.224 4.344 4.120 -0.001 0.000 0.306 9 V C 0.044 176.196 176.094 0.097 0.000 1.077 9 V CA 0.483 62.784 62.300 0.001 0.000 1.124 9 V CB 1.062 32.825 31.823 -0.100 0.000 0.987 9 V HN 1.101 nan 8.190 nan 0.000 0.487 10 S N 5.063 120.815 115.700 0.086 0.000 2.587 10 S HA 0.566 5.036 4.470 -0.001 0.000 0.260 10 S C 0.670 175.344 174.600 0.123 0.000 1.353 10 S CA 0.123 58.385 58.200 0.102 0.000 0.995 10 S CB 0.611 63.858 63.200 0.079 0.000 0.912 10 S HN 2.594 nan 8.310 nan 0.000 0.568 11 G N 0.685 109.451 108.800 -0.056 0.000 2.542 11 G HA2 0.309 4.269 3.960 -0.001 0.000 0.235 11 G HA3 0.309 4.269 3.960 -0.001 0.000 0.235 11 G C 0.758 175.162 174.900 -0.826 0.000 1.286 11 G CA 0.394 45.308 45.100 -0.309 0.000 0.904 11 G HN 2.557 nan 8.290 nan 0.000 0.577 12 G N -1.848 106.475 108.800 -0.795 0.000 2.246 12 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.273 12 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.273 12 G C 0.506 175.021 174.900 -0.642 0.000 1.055 12 G CA 1.373 45.796 45.100 -1.127 0.000 0.851 12 G HN 1.669 nan 8.290 nan 0.000 0.500 13 H N 0.159 119.123 119.070 -0.178 0.000 2.517 13 H HA 0.169 4.725 4.556 -0.001 0.000 0.282 13 H C 0.711 175.992 175.328 -0.077 0.000 1.023 13 H CA 0.165 56.153 56.048 -0.101 0.000 1.169 13 H CB 0.465 30.190 29.762 -0.061 0.000 1.454 13 H HN 0.464 nan 8.280 nan 0.000 0.556 14 D N 0.571 120.960 120.400 -0.020 0.000 2.423 14 D HA -0.028 4.611 4.640 -0.001 0.000 0.255 14 D C 1.482 177.758 176.300 -0.041 0.000 1.174 14 D CA -0.309 53.683 54.000 -0.014 0.000 1.008 14 D CB 1.556 42.352 40.800 -0.006 0.000 1.101 14 D HN 0.193 nan 8.370 nan 0.000 0.516 15 E N -0.495 119.655 120.200 -0.084 0.000 2.086 15 E HA -0.240 4.110 4.350 -0.001 0.000 0.200 15 E C 0.410 176.855 176.600 -0.259 0.000 1.012 15 E CA 1.335 57.614 56.400 -0.203 0.000 0.812 15 E CB 0.123 29.633 29.700 -0.317 0.000 0.743 15 E HN 0.359 nan 8.360 nan 0.000 0.453 16 H N -0.728 118.358 119.070 0.026 0.000 2.524 16 H HA 0.242 4.797 4.556 -0.001 0.000 0.297 16 H C 0.932 176.276 175.328 0.027 0.000 1.115 16 H CA 0.432 56.504 56.048 0.039 0.000 1.027 16 H CB 0.294 30.096 29.762 0.065 0.000 1.591 16 H HN 0.397 nan 8.280 nan 0.000 0.543 17 G N 1.161 109.991 108.800 0.049 0.000 2.565 17 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.295 17 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.295 17 G C 0.603 175.425 174.900 -0.131 0.000 1.165 17 G CA 0.601 45.663 45.100 -0.064 0.000 0.977 17 G HN 0.581 nan 8.290 nan 0.000 0.546 18 H N 0.691 119.804 119.070 0.072 0.000 2.539 18 H HA 0.357 4.912 4.556 -0.001 0.000 0.267 18 H C 2.189 177.577 175.328 0.100 0.000 0.982 18 H CA 0.592 56.674 56.048 0.057 0.000 1.146 18 H CB 0.273 30.070 29.762 0.058 0.000 1.382 18 H HN 0.393 nan 8.280 nan 0.000 0.577 19 L N 1.197 122.552 121.223 0.220 0.000 2.013 19 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 19 L C 2.266 179.270 176.870 0.224 0.000 1.073 19 L CA 1.903 56.883 54.840 0.233 0.000 0.753 19 L CB -0.322 41.864 42.059 0.212 0.000 0.890 19 L HN 0.156 nan 8.230 nan 0.000 0.432 20 E N -0.034 120.263 120.200 0.161 0.000 2.077 20 E HA -0.281 4.068 4.350 -0.001 0.000 0.193 20 E C 2.199 178.854 176.600 0.092 0.000 0.989 20 E CA 1.761 58.228 56.400 0.113 0.000 0.800 20 E CB -0.274 29.473 29.700 0.077 0.000 0.746 20 E HN 0.688 nan 8.360 nan 0.000 0.452 21 E N -1.357 118.902 120.200 0.099 0.000 2.106 21 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 21 E C 1.766 178.409 176.600 0.073 0.000 0.984 21 E CA 0.748 57.189 56.400 0.067 0.000 0.806 21 E CB -0.276 29.466 29.700 0.070 0.000 0.750 21 E HN 0.334 nan 8.360 nan 0.000 0.458 22 F N 1.634 121.552 119.950 -0.053 0.000 2.216 22 F HA -0.060 4.467 4.527 -0.001 0.000 0.300 22 F C 1.941 177.717 175.800 -0.039 0.000 1.085 22 F CA 1.258 59.203 58.000 -0.092 0.000 1.326 22 F CB 0.109 39.067 39.000 -0.070 0.000 1.027 22 F HN -0.102 nan 8.300 nan 0.000 0.497 23 R N -0.938 119.575 120.500 0.022 0.000 2.299 23 R HA 0.013 4.352 4.340 -0.001 0.000 0.197 23 R C 1.705 177.964 176.300 -0.069 0.000 0.971 23 R CA 1.353 57.423 56.100 -0.050 0.000 1.030 23 R CB -0.299 30.017 30.300 0.028 0.000 0.932 23 R HN 0.440 nan 8.270 nan 0.000 0.477 24 T N -3.659 110.860 114.554 -0.058 0.000 3.058 24 T HA 0.024 4.373 4.350 -0.001 0.000 0.247 24 T C 0.386 175.052 174.700 -0.057 0.000 0.987 24 T CA 0.085 62.161 62.100 -0.040 0.000 1.062 24 T CB 0.453 69.311 68.868 -0.015 0.000 1.048 24 T HN -0.025 nan 8.240 nan 0.000 0.468 25 D N 2.380 122.725 120.400 -0.092 0.000 2.846 25 D HA 0.339 4.979 4.640 -0.001 0.000 0.279 25 D C -1.880 174.310 176.300 -0.184 0.000 1.222 25 D CA -1.934 51.987 54.000 -0.131 0.000 0.769 25 D CB 1.422 42.170 40.800 -0.087 0.000 1.299 25 D HN 0.039 nan 8.370 nan 0.000 0.537 26 P HA -0.129 nan 4.420 nan 0.000 0.216 26 P C 1.713 178.884 177.300 -0.216 0.000 1.150 26 P CA 0.741 63.650 63.100 -0.318 0.000 0.837 26 P CB 0.658 31.958 31.700 -0.666 0.000 0.786 27 I N -0.184 120.220 120.570 -0.277 0.000 2.252 27 I HA -0.114 4.056 4.170 -0.001 0.000 0.245 27 I C 2.742 178.766 176.117 -0.154 0.000 1.102 27 I CA 1.620 62.790 61.300 -0.216 0.000 1.385 27 I CB -1.229 36.596 38.000 -0.292 0.000 1.064 27 I HN -0.002 nan 8.210 nan 0.000 0.414 28 G N 1.224 109.931 108.800 -0.154 0.000 2.422 28 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 28 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 28 G C 1.653 176.493 174.900 -0.101 0.000 1.146 28 G CA 0.537 45.574 45.100 -0.106 0.000 0.769 28 G HN 0.252 nan 8.290 nan 0.000 0.547 29 L N 0.499 121.645 121.223 -0.128 0.000 2.017 29 L HA 0.074 4.414 4.340 -0.001 0.000 0.208 29 L C 2.805 179.553 176.870 -0.203 0.000 1.073 29 L CA 1.794 56.531 54.840 -0.172 0.000 0.745 29 L CB -0.462 41.461 42.059 -0.228 0.000 0.894 29 L HN 0.237 nan 8.230 nan 0.000 0.432 30 M N -1.229 118.261 119.600 -0.183 0.000 2.213 30 M HA -0.197 4.282 4.480 -0.001 0.000 0.263 30 M C 2.270 178.533 176.300 -0.061 0.000 1.062 30 M CA 1.686 56.915 55.300 -0.118 0.000 1.105 30 M CB -0.345 32.222 32.600 -0.055 0.000 1.385 30 M HN 0.362 nan 8.290 nan 0.000 0.417 31 Q N 0.772 120.537 119.800 -0.059 0.000 2.119 31 Q HA -0.120 4.220 4.340 -0.001 0.000 0.201 31 Q C 1.916 177.902 176.000 -0.023 0.000 0.972 31 Q CA 1.643 57.430 55.803 -0.027 0.000 0.847 31 Q CB -0.193 28.532 28.738 -0.022 0.000 0.903 31 Q HN 0.358 nan 8.270 nan 0.000 0.433 32 R N -0.942 119.533 120.500 -0.042 0.000 2.115 32 R HA -0.068 4.272 4.340 -0.001 0.000 0.230 32 R C 1.909 178.192 176.300 -0.028 0.000 1.111 32 R CA 1.174 57.256 56.100 -0.031 0.000 0.976 32 R CB -0.101 30.177 30.300 -0.037 0.000 0.870 32 R HN 0.212 nan 8.270 nan 0.000 0.445 33 V N 0.820 120.708 119.914 -0.044 0.000 2.295 33 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 33 V C 2.519 178.609 176.094 -0.006 0.000 1.049 33 V CA 2.218 64.502 62.300 -0.026 0.000 1.024 33 V CB -0.584 31.239 31.823 -0.001 0.000 0.648 33 V HN 0.402 nan 8.190 nan 0.000 0.447 34 R N -0.068 120.433 120.500 0.001 0.000 2.075 34 R HA -0.160 4.180 4.340 -0.001 0.000 0.232 34 R C 2.054 178.365 176.300 0.018 0.000 1.126 34 R CA 1.876 57.984 56.100 0.014 0.000 0.963 34 R CB -0.334 29.979 30.300 0.023 0.000 0.858 34 R HN 0.507 nan 8.270 nan 0.000 0.435 35 D N 0.393 120.802 120.400 0.015 0.000 2.144 35 D HA -0.159 4.481 4.640 -0.001 0.000 0.199 35 D C 1.591 177.902 176.300 0.019 0.000 0.984 35 D CA 1.394 55.406 54.000 0.019 0.000 0.834 35 D CB -0.023 40.787 40.800 0.017 0.000 0.955 35 D HN 0.472 nan 8.370 nan 0.000 0.465 36 E N -0.424 119.784 120.200 0.014 0.000 2.102 36 E HA 0.076 4.426 4.350 -0.001 0.000 0.190 36 E C 2.056 178.666 176.600 0.018 0.000 0.971 36 E CA 0.343 56.753 56.400 0.017 0.000 0.821 36 E CB 0.322 30.030 29.700 0.014 0.000 0.777 36 E HN 0.235 nan 8.360 nan 0.000 0.460 37 L N -0.999 120.231 121.223 0.010 0.000 2.575 37 L HA 0.322 4.662 4.340 -0.001 0.000 0.228 37 L C 1.169 178.050 176.870 0.018 0.000 1.075 37 L CA 0.232 55.076 54.840 0.006 0.000 0.867 37 L CB 0.438 42.481 42.059 -0.027 0.000 1.097 37 L HN 0.200 nan 8.230 nan 0.000 0.485 38 G N 0.603 109.417 108.800 0.023 0.000 2.451 38 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.208 38 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.208 38 G C -0.313 174.609 174.900 0.038 0.000 1.248 38 G CA -0.012 45.112 45.100 0.040 0.000 0.989 38 G HN 0.037 nan 8.290 nan 0.000 0.559 39 D N -0.340 120.097 120.400 0.062 0.000 2.264 39 D HA 0.115 4.755 4.640 -0.001 0.000 0.208 39 D C 1.123 177.446 176.300 0.038 0.000 0.966 39 D CA 1.725 55.766 54.000 0.068 0.000 0.864 39 D CB 0.195 41.062 40.800 0.111 0.000 0.933 39 D HN 0.438 nan 8.370 nan 0.000 0.499 40 V N 0.154 120.068 119.914 0.000 0.000 2.447 40 V HA 0.704 4.823 4.120 -0.001 0.000 0.292 40 V C 0.393 176.362 176.094 -0.209 0.000 1.021 40 V CA -0.717 61.524 62.300 -0.098 0.000 0.850 40 V CB 1.813 33.572 31.823 -0.108 0.000 1.005 40 V HN 0.104 nan 8.190 nan 0.000 0.426 41 G N 2.416 111.134 108.800 -0.136 0.000 2.692 41 G HA2 0.805 4.764 3.960 -0.001 0.000 0.291 41 G HA3 0.805 4.764 3.960 -0.001 0.000 0.291 41 G C -0.724 174.120 174.900 -0.093 0.000 1.423 41 G CA -0.112 44.915 45.100 -0.122 0.000 0.843 41 G HN 0.749 nan 8.290 nan 0.000 0.486 42 T N -1.927 112.576 114.554 -0.085 0.000 2.916 42 T HA 0.849 5.198 4.350 -0.001 0.000 0.292 42 T C -0.776 173.892 174.700 -0.053 0.000 1.064 42 T CA -0.804 61.223 62.100 -0.121 0.000 1.011 42 T CB 1.845 70.635 68.868 -0.131 0.000 1.152 42 T HN 1.466 nan 8.240 nan 0.000 0.510 43 F N -1.012 118.810 119.950 -0.213 0.000 2.626 43 F HA 0.806 5.332 4.527 -0.001 0.000 0.311 43 F C -0.940 174.800 175.800 -0.100 0.000 1.088 43 F CA -1.404 56.389 58.000 -0.345 0.000 0.949 43 F CB 1.808 40.457 39.000 -0.585 0.000 1.322 43 F HN 0.636 nan 8.300 nan 0.000 0.461 44 Q N 1.983 122.038 119.800 0.424 0.000 2.314 44 Q HA 0.543 4.882 4.340 -0.001 0.000 0.259 44 Q C -1.762 174.371 176.000 0.222 0.000 0.951 44 Q CA -0.554 55.379 55.803 0.215 0.000 0.909 44 Q CB 1.636 30.495 28.738 0.202 0.000 1.236 44 Q HN 0.808 nan 8.270 nan 0.000 0.444 45 L N 4.664 125.901 121.223 0.024 0.000 2.371 45 L HA 0.687 5.027 4.340 -0.001 0.000 0.262 45 L C 0.107 176.996 176.870 0.031 0.000 1.054 45 L CA 0.926 55.767 54.840 0.001 0.000 0.924 45 L CB -0.288 41.637 42.059 -0.224 0.000 1.295 45 L HN 0.873 nan 8.230 nan 0.000 0.441 46 A N 3.821 126.703 122.820 0.104 0.000 5.277 46 A HA -0.254 4.066 4.320 -0.001 0.000 0.304 46 A C 1.284 178.935 177.584 0.112 0.000 1.976 46 A CA 0.955 53.070 52.037 0.129 0.000 0.715 46 A CB -1.950 17.052 19.000 0.005 0.000 1.275 46 A HN 1.236 nan 8.150 nan 0.000 0.367 47 G N -0.499 108.354 108.800 0.088 0.000 3.262 47 G HA2 0.417 4.377 3.960 -0.001 0.000 0.228 47 G HA3 0.417 4.377 3.960 -0.001 0.000 0.228 47 G C 0.281 175.201 174.900 0.033 0.000 1.197 47 G CA 0.954 46.094 45.100 0.067 0.000 0.819 47 G HN 0.554 nan 8.290 nan 0.000 0.531 48 K N 0.530 120.936 120.400 0.011 0.000 2.397 48 K HA 0.284 4.603 4.320 -0.001 0.000 0.253 48 K C -0.791 175.746 176.600 -0.106 0.000 0.932 48 K CA -0.606 55.660 56.287 -0.035 0.000 0.795 48 K CB 2.443 34.928 32.500 -0.027 0.000 1.159 48 K HN 0.302 nan 8.250 nan 0.000 0.424 49 Q N 2.142 121.872 119.800 -0.116 0.000 2.267 49 Q HA 0.322 4.662 4.340 -0.001 0.000 0.255 49 Q C -1.032 174.787 176.000 -0.301 0.000 0.923 49 Q CA -0.525 55.170 55.803 -0.180 0.000 0.925 49 Q CB 1.091 29.767 28.738 -0.104 0.000 1.195 49 Q HN 0.256 nan 8.270 nan 0.000 0.417 50 V N 5.012 124.589 119.914 -0.562 0.000 2.370 50 V HA 0.257 4.377 4.120 -0.001 0.000 0.283 50 V C -0.384 175.374 176.094 -0.561 0.000 1.023 50 V CA -0.777 61.096 62.300 -0.711 0.000 0.857 50 V CB 1.639 32.614 31.823 -1.413 0.000 0.985 50 V HN 0.647 nan 8.190 nan 0.000 0.443 51 V N 6.633 126.369 119.914 -0.296 0.000 2.339 51 V HA 0.263 4.383 4.120 -0.001 0.000 0.261 51 V C -0.047 175.966 176.094 -0.134 0.000 1.058 51 V CA -0.328 61.867 62.300 -0.174 0.000 0.897 51 V CB 1.101 32.881 31.823 -0.073 0.000 1.052 51 V HN 0.646 nan 8.190 nan 0.000 0.480 52 L N 7.524 128.681 121.223 -0.110 0.000 2.278 52 L HA 0.480 4.819 4.340 -0.001 0.000 0.287 52 L C -0.314 176.534 176.870 -0.036 0.000 1.072 52 L CA 0.481 55.301 54.840 -0.033 0.000 0.819 52 L CB 0.524 42.644 42.059 0.102 0.000 1.176 52 L HN 0.461 nan 8.230 nan 0.000 0.435 53 L N 4.935 126.119 121.223 -0.065 0.000 2.334 53 L HA 0.757 5.097 4.340 -0.001 0.000 0.275 53 L C 0.073 176.918 176.870 -0.041 0.000 1.036 53 L CA -0.430 54.386 54.840 -0.039 0.000 0.807 53 L CB 1.660 43.708 42.059 -0.018 0.000 1.231 53 L HN 0.809 nan 8.230 nan 0.000 0.438 54 S N 0.371 116.082 115.700 0.018 0.000 2.596 54 S HA 0.919 5.388 4.470 -0.001 0.000 0.270 54 S C -0.423 174.234 174.600 0.095 0.000 1.155 54 S CA -0.278 57.953 58.200 0.051 0.000 0.827 54 S CB 1.921 65.148 63.200 0.046 0.000 1.130 54 S HN 1.307 nan 8.310 nan 0.000 0.467 55 G N 0.671 109.550 108.800 0.131 0.000 2.690 55 G HA2 0.038 3.997 3.960 -0.001 0.000 0.686 55 G HA3 0.038 3.997 3.960 -0.001 0.000 0.686 55 G C 0.493 175.513 174.900 0.200 0.000 1.277 55 G CA 0.133 45.324 45.100 0.152 0.000 0.799 55 G HN 1.654 nan 8.290 nan 0.000 0.613 56 S N -0.511 115.322 115.700 0.223 0.000 2.353 56 S HA -0.234 4.236 4.470 -0.001 0.000 0.222 56 S C 1.969 176.697 174.600 0.213 0.000 1.035 56 S CA 2.481 60.857 58.200 0.294 0.000 1.025 56 S CB -0.405 62.971 63.200 0.294 0.000 0.902 56 S HN 1.312 nan 8.310 nan 0.000 0.440 57 H N 1.115 120.235 119.070 0.084 0.000 2.290 57 H HA 0.057 4.613 4.556 -0.001 0.000 0.298 57 H C 2.147 177.495 175.328 0.034 0.000 1.087 57 H CA 2.209 58.272 56.048 0.024 0.000 1.291 57 H CB -0.893 28.886 29.762 0.028 0.000 1.369 57 H HN 0.391 nan 8.280 nan 0.000 0.492 58 A N 0.354 123.162 122.820 -0.020 0.000 1.902 58 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 58 A C 2.262 179.886 177.584 0.067 0.000 1.181 58 A CA 1.675 53.694 52.037 -0.030 0.000 0.623 58 A CB -0.438 18.595 19.000 0.055 0.000 0.818 58 A HN 0.545 nan 8.150 nan 0.000 0.443 59 N N -0.237 118.534 118.700 0.118 0.000 2.188 59 N HA -0.141 4.598 4.740 -0.001 0.000 0.184 59 N C 1.665 177.310 175.510 0.225 0.000 1.018 59 N CA 1.405 54.603 53.050 0.247 0.000 0.858 59 N CB -0.367 38.386 38.487 0.443 0.000 0.989 59 N HN 0.757 nan 8.380 nan 0.000 0.426 60 E N -0.350 119.759 120.200 -0.152 0.000 2.077 60 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 60 E C 1.717 178.074 176.600 -0.406 0.000 0.989 60 E CA 0.704 56.619 56.400 -0.809 0.000 0.800 60 E CB -0.146 28.845 29.700 -1.181 0.000 0.746 60 E HN 0.321 nan 8.360 nan 0.000 0.452 61 F N 0.540 120.287 119.950 -0.340 0.000 2.102 61 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 61 F C 1.883 177.571 175.800 -0.186 0.000 1.105 61 F CA 1.587 59.429 58.000 -0.264 0.000 1.239 61 F CB -0.692 38.147 39.000 -0.270 0.000 0.991 61 F HN 0.100 nan 8.300 nan 0.000 0.474 62 F N 0.085 119.737 119.950 -0.496 0.000 2.069 62 F HA -0.225 4.302 4.527 -0.001 0.000 0.298 62 F C 1.880 177.356 175.800 -0.541 0.000 1.113 62 F CA 1.999 59.607 58.000 -0.653 0.000 1.214 62 F CB -0.775 37.892 39.000 -0.555 0.000 0.978 62 F HN -0.031 nan 8.300 nan 0.000 0.474 63 F N 0.235 120.251 119.950 0.111 0.000 2.558 63 F HA 0.081 4.607 4.527 -0.001 0.000 0.298 63 F C 2.147 177.991 175.800 0.073 0.000 1.119 63 F CA 0.819 58.947 58.000 0.213 0.000 1.451 63 F CB -0.482 38.811 39.000 0.489 0.000 1.091 63 F HN -0.138 nan 8.300 nan 0.000 0.563 64 R N -0.072 120.430 120.500 0.003 0.000 2.317 64 R HA 0.328 4.668 4.340 -0.001 0.000 0.208 64 R C 0.629 176.833 176.300 -0.161 0.000 0.914 64 R CA 0.146 56.216 56.100 -0.049 0.000 1.060 64 R CB 0.012 30.247 30.300 -0.109 0.000 1.015 64 R HN 0.068 nan 8.270 nan 0.000 0.498 65 A N 1.132 123.758 122.820 -0.324 0.000 2.409 65 A HA 0.520 4.839 4.320 -0.001 0.000 0.262 65 A C 0.488 177.957 177.584 -0.193 0.000 1.113 65 A CA -0.178 51.618 52.037 -0.402 0.000 0.790 65 A CB 0.644 19.157 19.000 -0.812 0.000 1.046 65 A HN 0.276 nan 8.150 nan 0.000 0.496 66 G N 0.274 108.990 108.800 -0.140 0.000 2.535 66 G HA2 0.384 4.344 3.960 -0.001 0.000 0.303 66 G HA3 0.384 4.344 3.960 -0.001 0.000 0.303 66 G C 0.235 175.106 174.900 -0.047 0.000 1.237 66 G CA -0.233 44.829 45.100 -0.064 0.000 0.986 66 G HN 0.660 nan 8.290 nan 0.000 0.494 67 D N -0.053 120.343 120.400 -0.006 0.000 2.190 67 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 67 D C 1.394 177.686 176.300 -0.013 0.000 0.992 67 D CA 1.072 55.066 54.000 -0.009 0.000 0.854 67 D CB 0.139 40.946 40.800 0.010 0.000 0.936 67 D HN 0.346 nan 8.370 nan 0.000 0.462 68 D N 0.452 120.854 120.400 0.003 0.000 2.348 68 D HA -0.071 4.568 4.640 -0.001 0.000 0.216 68 D C 1.114 177.464 176.300 0.084 0.000 0.970 68 D CA 0.711 54.732 54.000 0.036 0.000 0.889 68 D CB 0.235 41.060 40.800 0.041 0.000 0.912 68 D HN 0.305 nan 8.370 nan 0.000 0.524 69 D N -0.384 120.036 120.400 0.034 0.000 2.856 69 D HA 0.147 4.786 4.640 -0.001 0.000 0.283 69 D C 0.663 176.893 176.300 -0.117 0.000 1.051 69 D CA 0.226 54.266 54.000 0.067 0.000 0.965 69 D CB 1.310 42.001 40.800 -0.181 0.000 1.201 69 D HN 0.098 nan 8.370 nan 0.000 0.474 70 L N 1.671 122.741 121.223 -0.255 0.000 2.372 70 L HA 0.365 4.705 4.340 -0.001 0.000 0.274 70 L C -0.928 175.807 176.870 -0.225 0.000 0.988 70 L CA -0.774 53.887 54.840 -0.298 0.000 0.833 70 L CB 2.330 44.059 42.059 -0.551 0.000 1.236 70 L HN -0.197 nan 8.230 nan 0.000 0.410 71 D N 1.910 122.219 120.400 -0.152 0.000 2.192 71 D HA 0.412 5.052 4.640 -0.001 0.000 0.246 71 D C 0.512 176.722 176.300 -0.149 0.000 1.042 71 D CA -0.006 53.924 54.000 -0.117 0.000 0.847 71 D CB 2.295 43.058 40.800 -0.061 0.000 1.186 71 D HN 0.545 nan 8.370 nan 0.000 0.461 72 Q N 2.135 121.855 119.800 -0.134 0.000 2.356 72 Q HA 0.352 4.692 4.340 -0.001 0.000 0.205 72 Q C 1.802 177.734 176.000 -0.112 0.000 0.901 72 Q CA 0.975 56.684 55.803 -0.156 0.000 0.938 72 Q CB -0.312 28.378 28.738 -0.079 0.000 1.081 72 Q HN 0.651 nan 8.270 nan 0.000 0.517 73 A N 1.974 124.757 122.820 -0.062 0.000 1.915 73 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 73 A C 1.906 179.457 177.584 -0.055 0.000 1.198 73 A CA 1.930 53.947 52.037 -0.034 0.000 0.647 73 A CB -0.138 18.847 19.000 -0.024 0.000 0.825 73 A HN 0.526 nan 8.150 nan 0.000 0.456 74 K N -1.464 118.883 120.400 -0.088 0.000 2.646 74 K HA 0.483 4.802 4.320 -0.001 0.000 0.206 74 K C 0.961 177.476 176.600 -0.141 0.000 1.069 74 K CA 0.410 56.640 56.287 -0.096 0.000 1.067 74 K CB 0.667 33.132 32.500 -0.059 0.000 0.807 74 K HN 0.347 nan 8.250 nan 0.000 0.482 75 A N 0.322 122.988 122.820 -0.256 0.000 2.123 75 A HA 0.028 4.347 4.320 -0.001 0.000 0.214 75 A C 0.012 177.348 177.584 -0.413 0.000 1.152 75 A CA 0.723 52.536 52.037 -0.374 0.000 0.728 75 A CB -0.086 18.538 19.000 -0.627 0.000 0.814 75 A HN 0.261 nan 8.150 nan 0.000 0.464 76 Y N -0.192 120.006 120.300 -0.169 0.000 2.748 76 Y HA 0.298 4.848 4.550 -0.001 0.000 0.359 76 Y C -1.828 173.570 175.900 -0.838 0.000 1.030 76 Y CA -2.978 54.767 58.100 -0.592 0.000 1.169 76 Y CB 0.596 38.604 38.460 -0.754 0.000 1.127 76 Y HN 0.172 nan 8.280 nan 0.000 0.644 77 P HA -0.200 nan 4.420 nan 0.000 0.221 77 P C 1.203 178.231 177.300 -0.454 0.000 1.145 77 P CA 1.301 64.141 63.100 -0.434 0.000 0.795 77 P CB -0.109 31.362 31.700 -0.382 0.000 0.775 78 F N -2.500 117.241 119.950 -0.347 0.000 2.604 78 F HA 0.102 4.628 4.527 -0.001 0.000 0.298 78 F C 1.887 177.430 175.800 -0.428 0.000 1.131 78 F CA 0.415 58.194 58.000 -0.367 0.000 1.457 78 F CB -1.335 37.529 39.000 -0.227 0.000 1.095 78 F HN -0.275 nan 8.300 nan 0.000 0.574 79 M N 0.419 119.568 119.600 -0.751 0.000 2.476 79 M HA 0.013 4.493 4.480 -0.001 0.000 0.262 79 M C 1.891 177.781 176.300 -0.684 0.000 1.111 79 M CA 0.818 55.608 55.300 -0.850 0.000 1.127 79 M CB -1.493 30.517 32.600 -0.984 0.000 1.376 79 M HN 0.153 nan 8.290 nan 0.000 0.465 80 T N 1.763 116.071 114.554 -0.410 0.000 2.665 80 T HA -0.105 4.244 4.350 -0.001 0.000 0.268 80 T C -0.713 173.870 174.700 -0.195 0.000 1.035 80 T CA 1.601 63.575 62.100 -0.210 0.000 1.151 80 T CB -1.326 67.463 68.868 -0.133 0.000 0.862 80 T HN 0.221 nan 8.240 nan 0.000 0.438 81 P HA 0.134 nan 4.420 nan 0.000 0.223 81 P C 1.261 178.427 177.300 -0.224 0.000 1.151 81 P CA 0.690 63.644 63.100 -0.242 0.000 0.787 81 P CB -0.109 31.320 31.700 -0.451 0.000 0.788 82 I N -2.334 118.024 120.570 -0.354 0.000 2.235 82 I HA -0.158 4.012 4.170 -0.001 0.000 0.241 82 I C 1.858 177.853 176.117 -0.204 0.000 1.085 82 I CA 1.192 62.271 61.300 -0.368 0.000 1.378 82 I CB -0.517 37.099 38.000 -0.638 0.000 1.076 82 I HN -0.158 nan 8.210 nan 0.000 0.415 83 F N 1.232 121.073 119.950 -0.182 0.000 2.186 83 F HA 0.174 4.700 4.527 -0.001 0.000 0.299 83 F C 1.489 177.244 175.800 -0.074 0.000 1.090 83 F CA 0.761 58.691 58.000 -0.116 0.000 1.307 83 F CB -1.152 37.776 39.000 -0.119 0.000 1.019 83 F HN 0.186 nan 8.300 nan 0.000 0.489 106 R N 0.880 121.408 120.500 0.047 0.000 2.621 106 R HA 0.430 4.769 4.340 -0.001 0.000 0.284 106 R C 0.932 177.248 176.300 0.026 0.000 0.998 106 R CA -0.475 55.639 56.100 0.024 0.000 0.895 106 R CB 2.208 32.511 30.300 0.005 0.000 1.195 106 R HN 0.788 nan 8.270 nan 0.000 0.450 107 G N 1.998 110.808 108.800 0.016 0.000 2.517 107 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.222 107 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.222 107 G C 1.133 176.026 174.900 -0.011 0.000 1.109 107 G CA 1.298 46.403 45.100 0.008 0.000 0.746 107 G HN 0.824 nan 8.290 nan 0.000 0.576 108 E N -0.084 120.104 120.200 -0.020 0.000 2.110 108 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 108 E C 2.116 178.678 176.600 -0.064 0.000 0.988 108 E CA 1.230 57.610 56.400 -0.034 0.000 0.804 108 E CB -0.376 29.306 29.700 -0.029 0.000 0.745 108 E HN 0.546 nan 8.360 nan 0.000 0.458 109 Q N -0.768 118.976 119.800 -0.092 0.000 2.392 109 Q HA 0.119 4.458 4.340 -0.001 0.000 0.203 109 Q C 1.968 177.786 176.000 -0.303 0.000 0.917 109 Q CA 0.016 55.679 55.803 -0.234 0.000 0.939 109 Q CB 0.226 28.791 28.738 -0.288 0.000 1.063 109 Q HN 0.329 nan 8.270 nan 0.000 0.516 110 M N 0.807 120.368 119.600 -0.065 0.000 2.108 110 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 110 M C 2.047 178.366 176.300 0.032 0.000 1.066 110 M CA 1.602 56.942 55.300 0.067 0.000 1.107 110 M CB -0.722 31.930 32.600 0.087 0.000 1.356 110 M HN 0.116 nan 8.290 nan 0.000 0.406 111 K N -0.129 120.261 120.400 -0.016 0.000 2.032 111 K HA -0.136 4.183 4.320 -0.001 0.000 0.209 111 K C 1.994 178.595 176.600 0.002 0.000 1.048 111 K CA 1.724 58.011 56.287 0.000 0.000 0.927 111 K CB -0.406 32.091 32.500 -0.005 0.000 0.712 111 K HN 0.373 nan 8.250 nan 0.000 0.441 112 G N 0.284 109.046 108.800 -0.064 0.000 2.418 112 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 112 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 112 G C 1.179 176.093 174.900 0.024 0.000 1.158 112 G CA 0.862 45.925 45.100 -0.061 0.000 0.771 112 G HN 0.351 nan 8.290 nan 0.000 0.545 113 H N 0.859 119.979 119.070 0.084 0.000 2.389 113 H HA 0.076 4.632 4.556 -0.001 0.000 0.299 113 H C 2.892 178.268 175.328 0.080 0.000 1.081 113 H CA 0.992 57.117 56.048 0.129 0.000 1.345 113 H CB -0.667 29.257 29.762 0.270 0.000 1.393 113 H HN 0.379 nan 8.280 nan 0.000 0.520 114 A N 1.087 124.007 122.820 0.167 0.000 1.902 114 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 114 A C 2.684 180.316 177.584 0.081 0.000 1.181 114 A CA 1.836 53.925 52.037 0.087 0.000 0.623 114 A CB -0.810 18.231 19.000 0.068 0.000 0.818 114 A HN 0.436 nan 8.150 nan 0.000 0.443 115 A N -1.210 121.659 122.820 0.081 0.000 1.930 115 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 115 A C 2.286 179.905 177.584 0.058 0.000 1.175 115 A CA 2.174 54.250 52.037 0.065 0.000 0.627 115 A CB -1.138 17.894 19.000 0.053 0.000 0.815 115 A HN 0.421 nan 8.150 nan 0.000 0.443 116 T N 0.353 114.958 114.554 0.084 0.000 2.708 116 T HA -0.086 4.263 4.350 -0.001 0.000 0.266 116 T C 1.789 176.521 174.700 0.052 0.000 1.037 116 T CA 1.536 63.682 62.100 0.077 0.000 1.146 116 T CB -0.393 68.556 68.868 0.135 0.000 0.865 116 T HN 0.425 nan 8.240 nan 0.000 0.435 117 I N 0.964 121.569 120.570 0.058 0.000 2.226 117 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 117 I C 2.748 178.865 176.117 -0.000 0.000 1.100 117 I CA 1.420 62.731 61.300 0.019 0.000 1.374 117 I CB -0.369 37.622 38.000 -0.014 0.000 1.057 117 I HN 0.360 nan 8.210 nan 0.000 0.413 118 E N 1.122 121.329 120.200 0.011 0.000 2.085 118 E HA -0.337 4.012 4.350 -0.001 0.000 0.194 118 E C 1.760 178.348 176.600 -0.021 0.000 0.994 118 E CA 2.087 58.486 56.400 -0.001 0.000 0.801 118 E CB -0.085 29.629 29.700 0.023 0.000 0.743 118 E HN 0.436 nan 8.360 nan 0.000 0.453 119 D N -0.397 119.996 120.400 -0.013 0.000 2.117 119 D HA -0.185 4.455 4.640 -0.001 0.000 0.197 119 D C 2.045 178.311 176.300 -0.055 0.000 0.987 119 D CA 1.179 55.160 54.000 -0.031 0.000 0.829 119 D CB 0.051 40.838 40.800 -0.021 0.000 0.961 119 D HN 0.143 nan 8.370 nan 0.000 0.460 120 Q N -0.106 119.667 119.800 -0.045 0.000 2.119 120 Q HA -0.059 4.280 4.340 -0.001 0.000 0.201 120 Q C 2.481 178.433 176.000 -0.079 0.000 0.972 120 Q CA 0.608 56.375 55.803 -0.059 0.000 0.847 120 Q CB -0.438 28.294 28.738 -0.010 0.000 0.903 120 Q HN 0.313 nan 8.270 nan 0.000 0.433 121 V N 1.059 120.928 119.914 -0.076 0.000 2.358 121 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 121 V C 2.361 178.370 176.094 -0.142 0.000 1.047 121 V CA 1.636 63.874 62.300 -0.104 0.000 1.035 121 V CB -0.478 31.295 31.823 -0.084 0.000 0.658 121 V HN 0.303 nan 8.190 nan 0.000 0.452 122 R N -0.193 120.237 120.500 -0.117 0.000 2.096 122 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 122 R C 2.510 178.725 176.300 -0.142 0.000 1.127 122 R CA 1.584 57.608 56.100 -0.127 0.000 0.968 122 R CB -0.378 29.871 30.300 -0.085 0.000 0.861 122 R HN 0.435 nan 8.270 nan 0.000 0.440 123 R N 0.271 120.693 120.500 -0.129 0.000 2.092 123 R HA -0.048 4.291 4.340 -0.001 0.000 0.231 123 R C 2.091 178.305 176.300 -0.144 0.000 1.119 123 R CA 1.092 57.111 56.100 -0.135 0.000 0.970 123 R CB 0.053 30.259 30.300 -0.156 0.000 0.864 123 R HN 0.076 nan 8.270 nan 0.000 0.440 124 M N 0.859 120.367 119.600 -0.153 0.000 2.229 124 M HA -0.086 4.393 4.480 -0.001 0.000 0.264 124 M C 1.985 178.158 176.300 -0.211 0.000 1.063 124 M CA 1.306 56.532 55.300 -0.124 0.000 1.114 124 M CB -0.231 32.258 32.600 -0.184 0.000 1.387 124 M HN 0.336 nan 8.290 nan 0.000 0.420 125 I N -3.691 116.600 120.570 -0.464 0.000 3.928 125 I HA 0.269 4.438 4.170 -0.001 0.000 0.335 125 I C 1.860 177.703 176.117 -0.457 0.000 1.325 125 I CA 0.129 60.808 61.300 -1.035 0.000 1.107 125 I CB -0.515 36.630 38.000 -1.426 0.000 1.014 125 I HN -0.047 nan 8.210 nan 0.000 0.400 126 A N 2.552 125.249 122.820 -0.206 0.000 1.978 126 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 126 A C 1.770 179.367 177.584 0.021 0.000 1.170 126 A CA 2.182 54.178 52.037 -0.069 0.000 0.636 126 A CB -0.610 18.356 19.000 -0.057 0.000 0.810 126 A HN 0.741 nan 8.150 nan 0.000 0.448 127 D N -3.048 117.393 120.400 0.069 0.000 2.368 127 D HA -0.012 4.628 4.640 -0.001 0.000 0.218 127 D C 0.976 177.447 176.300 0.284 0.000 1.112 127 D CA -0.360 53.731 54.000 0.152 0.000 0.834 127 D CB -0.530 40.349 40.800 0.131 0.000 0.953 127 D HN 0.465 nan 8.370 nan 0.000 0.505 128 W N 2.225 123.504 121.300 -0.035 0.000 2.388 128 W HA 0.246 4.905 4.660 -0.001 0.000 0.294 128 W C 1.810 178.423 176.519 0.156 0.000 1.212 128 W CA 1.470 58.765 57.345 -0.083 0.000 1.271 128 W CB -0.696 28.385 29.460 -0.631 0.000 1.126 128 W HN 0.312 nan 8.180 nan 0.000 0.535 129 G N 0.040 109.075 108.800 0.393 0.000 2.598 129 G HA2 -0.426 3.534 3.960 -0.001 0.000 0.244 129 G HA3 -0.426 3.534 3.960 -0.001 0.000 0.244 129 G C 0.662 175.810 174.900 0.413 0.000 1.302 129 G CA 0.490 45.777 45.100 0.311 0.000 0.903 129 G HN 0.176 nan 8.290 nan 0.000 0.575 130 E N -0.027 120.330 120.200 0.260 0.000 2.072 130 E HA 0.406 4.755 4.350 -0.001 0.000 0.191 130 E C 1.324 178.084 176.600 0.268 0.000 0.985 130 E CA 2.446 58.978 56.400 0.220 0.000 0.801 130 E CB -0.162 29.594 29.700 0.092 0.000 0.750 130 E HN 1.720 nan 8.360 nan 0.000 0.452 131 A N -1.916 120.988 122.820 0.140 0.000 2.610 131 A HA 0.778 5.097 4.320 -0.001 0.000 0.291 131 A C -0.104 177.133 177.584 -0.578 0.000 1.086 131 A CA -0.344 51.581 52.037 -0.187 0.000 0.677 131 A CB 1.392 20.285 19.000 -0.178 0.000 1.278 131 A HN 0.314 nan 8.150 nan 0.000 0.414 132 G N -0.659 107.328 108.800 -1.354 0.000 2.325 132 G HA2 0.524 4.483 3.960 -0.001 0.000 0.295 132 G HA3 0.524 4.483 3.960 -0.001 0.000 0.295 132 G C -1.700 172.498 174.900 -1.169 0.000 1.274 132 G CA 0.133 44.548 45.100 -1.141 0.000 0.857 132 G HN 0.954 nan 8.290 nan 0.000 0.499 133 E N -0.800 119.018 120.200 -0.636 0.000 2.314 133 E HA 0.669 5.018 4.350 -0.001 0.000 0.272 133 E C -0.817 175.636 176.600 -0.245 0.000 0.884 133 E CA -0.946 55.223 56.400 -0.385 0.000 0.753 133 E CB 2.188 31.738 29.700 -0.249 0.000 1.213 133 E HN 0.810 nan 8.360 nan 0.000 0.432 134 I N -0.305 120.151 120.570 -0.189 0.000 3.042 134 I HA 0.579 4.748 4.170 -0.001 0.000 0.310 134 I C -1.073 175.005 176.117 -0.065 0.000 1.117 134 I CA -0.970 60.243 61.300 -0.144 0.000 1.003 134 I CB 2.215 40.056 38.000 -0.265 0.000 1.228 134 I HN 0.376 nan 8.210 nan 0.000 0.443 135 D N 3.735 124.124 120.400 -0.017 0.000 2.303 135 D HA 0.341 4.981 4.640 -0.001 0.000 0.236 135 D C 0.794 177.124 176.300 0.049 0.000 1.068 135 D CA -0.461 53.546 54.000 0.011 0.000 0.830 135 D CB 2.064 42.867 40.800 0.005 0.000 1.109 135 D HN 0.737 nan 8.370 nan 0.000 0.496 136 L N 3.419 124.682 121.223 0.067 0.000 2.042 136 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 136 L C 2.373 179.357 176.870 0.189 0.000 1.076 136 L CA 0.767 55.694 54.840 0.145 0.000 0.749 136 L CB -0.356 41.793 42.059 0.151 0.000 0.893 136 L HN 0.468 nan 8.230 nan 0.000 0.432 137 L N 0.015 121.294 121.223 0.095 0.000 2.017 137 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 137 L C 2.113 179.005 176.870 0.038 0.000 1.073 137 L CA 1.923 56.802 54.840 0.065 0.000 0.745 137 L CB -0.680 41.386 42.059 0.010 0.000 0.894 137 L HN 0.185 nan 8.230 nan 0.000 0.432 138 D N -0.906 119.506 120.400 0.019 0.000 2.097 138 D HA -0.245 4.394 4.640 -0.001 0.000 0.195 138 D C 2.016 178.335 176.300 0.032 0.000 0.989 138 D CA 1.687 55.689 54.000 0.003 0.000 0.827 138 D CB -0.387 40.425 40.800 0.018 0.000 0.966 138 D HN 0.398 nan 8.370 nan 0.000 0.456 139 F N 0.567 120.462 119.950 -0.091 0.000 2.051 139 F HA -0.177 4.349 4.527 -0.001 0.000 0.296 139 F C 2.097 177.767 175.800 -0.217 0.000 1.122 139 F CA 1.305 59.199 58.000 -0.178 0.000 1.201 139 F CB -0.414 38.400 39.000 -0.309 0.000 0.978 139 F HN -0.181 nan 8.300 nan 0.000 0.472 140 F N 0.427 120.377 119.950 -0.000 0.000 2.325 140 F HA 0.028 4.554 4.527 -0.001 0.000 0.299 140 F C 2.493 178.192 175.800 -0.168 0.000 1.090 140 F CA 0.882 58.797 58.000 -0.141 0.000 1.392 140 F CB -1.468 37.528 39.000 -0.008 0.000 1.053 140 F HN 0.082 nan 8.300 nan 0.000 0.521 141 A N -0.307 122.548 122.820 0.058 0.000 1.902 141 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 141 A C 2.232 179.858 177.584 0.070 0.000 1.181 141 A CA 1.848 53.935 52.037 0.083 0.000 0.623 141 A CB -0.789 18.262 19.000 0.085 0.000 0.818 141 A HN 0.412 nan 8.150 nan 0.000 0.443 142 E N -0.624 119.502 120.200 -0.124 0.000 2.046 142 E HA -0.170 4.180 4.350 -0.001 0.000 0.190 142 E C 1.945 178.244 176.600 -0.501 0.000 0.982 142 E CA 1.182 57.389 56.400 -0.322 0.000 0.800 142 E CB -0.196 29.349 29.700 -0.258 0.000 0.756 142 E HN 0.419 nan 8.360 nan 0.000 0.449 143 L N 1.054 122.035 121.223 -0.402 0.000 2.042 143 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 143 L C 2.207 178.990 176.870 -0.146 0.000 1.076 143 L CA 2.232 56.889 54.840 -0.305 0.000 0.749 143 L CB -0.876 40.889 42.059 -0.490 0.000 0.893 143 L HN 0.100 nan 8.230 nan 0.000 0.432 144 T N 0.021 114.527 114.554 -0.079 0.000 2.962 144 T HA -0.071 4.278 4.350 -0.001 0.000 0.270 144 T C 1.961 176.697 174.700 0.059 0.000 1.088 144 T CA 1.150 63.260 62.100 0.016 0.000 1.127 144 T CB -0.179 68.671 68.868 -0.030 0.000 0.883 144 T HN 0.195 nan 8.240 nan 0.000 0.493 145 I N 0.367 120.885 120.570 -0.085 0.000 2.286 145 I HA -0.063 4.106 4.170 -0.001 0.000 0.245 145 I C 2.047 178.039 176.117 -0.208 0.000 1.104 145 I CA 1.383 62.532 61.300 -0.252 0.000 1.397 145 I CB -0.909 36.834 38.000 -0.427 0.000 1.072 145 I HN 0.252 nan 8.210 nan 0.000 0.417 146 Y N 1.421 121.660 120.300 -0.103 0.000 2.200 146 Y HA -0.183 4.366 4.550 -0.001 0.000 0.290 146 Y C 2.959 178.809 175.900 -0.084 0.000 1.137 146 Y CA 1.536 59.561 58.100 -0.125 0.000 1.163 146 Y CB -1.706 36.677 38.460 -0.129 0.000 0.988 146 Y HN 0.293 nan 8.280 nan 0.000 0.518 147 T N -3.210 111.403 114.554 0.099 0.000 2.777 147 T HA -0.154 4.195 4.350 -0.001 0.000 0.266 147 T C 2.138 176.887 174.700 0.082 0.000 1.040 147 T CA 1.588 63.736 62.100 0.080 0.000 1.141 147 T CB -0.846 68.060 68.868 0.064 0.000 0.868 147 T HN 0.193 nan 8.240 nan 0.000 0.444 148 S N 2.163 117.899 115.700 0.059 0.000 2.356 148 S HA -0.124 4.345 4.470 -0.001 0.000 0.223 148 S C 2.619 177.181 174.600 -0.062 0.000 1.032 148 S CA 1.633 59.841 58.200 0.014 0.000 1.005 148 S CB -0.664 62.538 63.200 0.004 0.000 0.867 148 S HN 0.876 nan 8.310 nan 0.000 0.449 149 S N 2.419 118.077 115.700 -0.070 0.000 2.368 149 S HA 0.008 4.478 4.470 -0.001 0.000 0.225 149 S C 2.067 176.645 174.600 -0.037 0.000 1.030 149 S CA 0.946 59.100 58.200 -0.076 0.000 0.999 149 S CB -0.677 62.475 63.200 -0.080 0.000 0.844 149 S HN 0.501 nan 8.310 nan 0.000 0.459 150 A N 0.736 123.551 122.820 -0.007 0.000 1.902 150 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 150 A C 2.479 180.066 177.584 0.005 0.000 1.181 150 A CA 1.495 53.538 52.037 0.009 0.000 0.623 150 A CB -1.403 17.610 19.000 0.022 0.000 0.818 150 A HN 0.707 nan 8.150 nan 0.000 0.443 151 C N -1.129 118.151 119.300 -0.033 0.000 2.486 151 C HA 0.147 4.606 4.460 -0.001 0.000 0.279 151 C C 2.589 177.459 174.990 -0.200 0.000 1.302 151 C CA 0.749 59.682 59.018 -0.142 0.000 1.720 151 C CB -1.250 26.279 27.740 -0.352 0.000 2.030 151 C HN 0.600 nan 8.230 nan 0.000 0.490 152 L N -0.167 120.926 121.223 -0.217 0.000 2.202 152 L HA 0.099 4.438 4.340 -0.001 0.000 0.205 152 L C 2.093 178.840 176.870 -0.206 0.000 1.083 152 L CA 1.321 56.030 54.840 -0.218 0.000 0.790 152 L CB -0.264 41.658 42.059 -0.229 0.000 0.942 152 L HN 0.328 nan 8.230 nan 0.000 0.452 153 I N -1.444 118.975 120.570 -0.252 0.000 3.300 153 I HA 0.295 4.464 4.170 -0.001 0.000 0.279 153 I C 0.773 176.782 176.117 -0.180 0.000 1.172 153 I CA 0.391 61.468 61.300 -0.372 0.000 1.431 153 I CB 0.531 38.044 38.000 -0.811 0.000 1.240 153 I HN 0.206 nan 8.210 nan 0.000 0.453 154 G N 0.777 109.534 108.800 -0.072 0.000 2.318 154 G HA2 0.012 3.971 3.960 -0.001 0.000 0.302 154 G HA3 0.012 3.971 3.960 -0.001 0.000 0.302 154 G C -0.302 174.622 174.900 0.041 0.000 1.633 154 G CA -0.704 44.398 45.100 0.003 0.000 0.965 154 G HN -0.025 nan 8.290 nan 0.000 0.698 155 K N 0.293 120.712 120.400 0.030 0.000 2.147 155 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 155 K C 2.410 179.013 176.600 0.006 0.000 1.049 155 K CA 1.444 57.737 56.287 0.010 0.000 0.936 155 K CB 0.082 32.585 32.500 0.005 0.000 0.722 155 K HN 0.463 nan 8.250 nan 0.000 0.446 156 K N 0.652 121.071 120.400 0.032 0.000 2.063 156 K HA -0.200 4.119 4.320 -0.001 0.000 0.208 156 K C 1.993 178.627 176.600 0.057 0.000 1.048 156 K CA 1.431 57.741 56.287 0.038 0.000 0.928 156 K CB -0.156 32.379 32.500 0.059 0.000 0.713 156 K HN 0.066 nan 8.250 nan 0.000 0.442 157 F N 1.967 121.874 119.950 -0.071 0.000 2.113 157 F HA -0.113 4.414 4.527 -0.001 0.000 0.297 157 F C 2.491 178.217 175.800 -0.124 0.000 1.103 157 F CA 1.289 59.233 58.000 -0.092 0.000 1.248 157 F CB -0.290 38.614 39.000 -0.160 0.000 0.999 157 F HN -0.054 nan 8.300 nan 0.000 0.475 158 R N 0.899 121.325 120.500 -0.124 0.000 2.105 158 R HA -0.178 4.161 4.340 -0.001 0.000 0.239 158 R C 1.410 177.551 176.300 -0.264 0.000 1.135 158 R CA 2.066 58.029 56.100 -0.228 0.000 0.967 158 R CB -1.147 29.096 30.300 -0.095 0.000 0.861 158 R HN 0.272 nan 8.270 nan 0.000 0.442 159 D N 0.695 120.981 120.400 -0.190 0.000 2.351 159 D HA -0.109 4.530 4.640 -0.001 0.000 0.216 159 D C 1.155 177.348 176.300 -0.178 0.000 0.968 159 D CA 0.851 54.745 54.000 -0.176 0.000 0.899 159 D CB 0.025 40.758 40.800 -0.111 0.000 0.907 159 D HN 0.448 nan 8.370 nan 0.000 0.514 160 Q N -0.409 119.254 119.800 -0.230 0.000 2.280 160 Q HA 0.219 4.558 4.340 -0.001 0.000 0.201 160 Q C 0.191 176.046 176.000 -0.241 0.000 0.890 160 Q CA -0.004 55.678 55.803 -0.202 0.000 0.947 160 Q CB 0.984 29.616 28.738 -0.176 0.000 1.081 160 Q HN 0.230 nan 8.270 nan 0.000 0.502 161 L N 0.964 122.014 121.223 -0.288 0.000 2.334 161 L HA 0.417 4.756 4.340 -0.001 0.000 0.270 161 L C -0.384 176.468 176.870 -0.030 0.000 1.018 161 L CA -0.768 53.955 54.840 -0.194 0.000 0.811 161 L CB 1.293 43.160 42.059 -0.321 0.000 1.271 161 L HN 0.096 nan 8.230 nan 0.000 0.443 162 D N -0.482 119.981 120.400 0.106 0.000 2.867 162 D HA 0.257 4.896 4.640 -0.001 0.000 0.308 162 D C 0.878 177.325 176.300 0.245 0.000 1.202 162 D CA -0.234 53.861 54.000 0.159 0.000 1.035 162 D CB 0.591 41.436 40.800 0.074 0.000 1.427 162 D HN 0.430 nan 8.370 nan 0.000 0.570 163 G N -0.761 108.156 108.800 0.196 0.000 2.462 163 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.220 163 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.220 163 G C 1.271 176.242 174.900 0.119 0.000 1.121 163 G CA 0.727 45.913 45.100 0.142 0.000 0.758 163 G HN 0.362 nan 8.290 nan 0.000 0.559 164 R N -0.938 119.639 120.500 0.128 0.000 2.091 164 R HA -0.055 4.284 4.340 -0.001 0.000 0.238 164 R C 2.237 178.624 176.300 0.143 0.000 1.136 164 R CA 1.275 57.444 56.100 0.115 0.000 0.959 164 R CB -0.538 29.824 30.300 0.104 0.000 0.856 164 R HN 0.407 nan 8.270 nan 0.000 0.437 165 F N 1.392 121.369 119.950 0.045 0.000 2.095 165 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 165 F C 2.342 178.169 175.800 0.044 0.000 1.104 165 F CA 1.506 59.539 58.000 0.055 0.000 1.232 165 F CB -0.361 38.656 39.000 0.028 0.000 0.987 165 F HN 0.007 nan 8.300 nan 0.000 0.475 166 A N 0.148 123.107 122.820 0.232 0.000 1.902 166 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 166 A C 2.263 179.913 177.584 0.111 0.000 1.181 166 A CA 1.538 53.633 52.037 0.096 0.000 0.623 166 A CB -0.544 18.425 19.000 -0.052 0.000 0.818 166 A HN 0.252 nan 8.150 nan 0.000 0.443 167 K N -0.142 120.312 120.400 0.090 0.000 2.057 167 K HA -0.028 4.291 4.320 -0.001 0.000 0.207 167 K C 1.894 178.559 176.600 0.107 0.000 1.049 167 K CA 1.151 57.495 56.287 0.096 0.000 0.931 167 K CB -0.685 31.856 32.500 0.068 0.000 0.714 167 K HN 0.560 nan 8.250 nan 0.000 0.440 168 L N -0.763 120.486 121.223 0.044 0.000 2.056 168 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 168 L C 2.456 179.317 176.870 -0.016 0.000 1.078 168 L CA 1.054 55.885 54.840 -0.014 0.000 0.749 168 L CB -0.477 41.523 42.059 -0.099 0.000 0.901 168 L HN 0.069 nan 8.230 nan 0.000 0.433 169 Y N -0.229 119.989 120.300 -0.136 0.000 2.224 169 Y HA -0.322 4.227 4.550 -0.001 0.000 0.289 169 Y C 2.829 178.743 175.900 0.023 0.000 1.146 169 Y CA 1.898 59.938 58.100 -0.099 0.000 1.182 169 Y CB -0.133 38.228 38.460 -0.164 0.000 0.983 169 Y HN 0.214 nan 8.280 nan 0.000 0.524 170 H N 0.114 119.261 119.070 0.127 0.000 2.387 170 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 170 H C 1.973 177.328 175.328 0.045 0.000 1.090 170 H CA 2.071 58.188 56.048 0.114 0.000 1.332 170 H CB 0.035 29.858 29.762 0.103 0.000 1.386 170 H HN 0.235 nan 8.280 nan 0.000 0.516 171 E N 0.317 120.514 120.200 -0.006 0.000 2.153 171 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 171 E C 2.533 179.073 176.600 -0.101 0.000 0.988 171 E CA 0.754 57.111 56.400 -0.071 0.000 0.811 171 E CB -0.171 29.520 29.700 -0.014 0.000 0.746 171 E HN 0.543 nan 8.360 nan 0.000 0.466 172 L N 0.664 121.815 121.223 -0.121 0.000 2.027 172 L HA -0.176 4.164 4.340 -0.001 0.000 0.206 172 L C 2.317 179.154 176.870 -0.055 0.000 1.074 172 L CA 1.280 56.042 54.840 -0.129 0.000 0.745 172 L CB -0.413 41.495 42.059 -0.251 0.000 0.898 172 L HN 0.093 nan 8.230 nan 0.000 0.433 173 E N -0.129 120.042 120.200 -0.049 0.000 2.153 173 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 173 E C 2.155 178.689 176.600 -0.110 0.000 0.988 173 E CA 0.661 57.054 56.400 -0.012 0.000 0.811 173 E CB -0.022 29.652 29.700 -0.043 0.000 0.746 173 E HN 0.382 nan 8.360 nan 0.000 0.466 174 R N 0.231 120.611 120.500 -0.200 0.000 2.307 174 R HA -0.001 4.339 4.340 -0.001 0.000 0.199 174 R C 1.626 177.885 176.300 -0.068 0.000 1.000 174 R CA 0.697 56.688 56.100 -0.181 0.000 1.023 174 R CB 0.097 30.251 30.300 -0.242 0.000 0.908 174 R HN 0.070 nan 8.270 nan 0.000 0.473 175 G N 1.074 109.861 108.800 -0.022 0.000 3.440 175 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.263 175 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.263 175 G C 0.602 175.580 174.900 0.129 0.000 1.236 175 G CA -0.078 45.077 45.100 0.092 0.000 0.927 175 G HN 0.224 nan 8.290 nan 0.000 0.530 176 T N -2.517 112.059 114.554 0.036 0.000 3.275 176 T HA 0.196 4.546 4.350 -0.001 0.000 0.265 176 T C 0.021 174.659 174.700 -0.103 0.000 0.978 176 T CA -0.661 61.400 62.100 -0.065 0.000 0.923 176 T CB 0.487 69.211 68.868 -0.241 0.000 1.126 176 T HN 0.082 nan 8.240 nan 0.000 0.538 177 D N 2.410 122.873 120.400 0.105 0.000 2.488 177 D HA 0.069 4.708 4.640 -0.001 0.000 0.238 177 D C -1.524 174.852 176.300 0.127 0.000 1.138 177 D CA -1.605 52.417 54.000 0.038 0.000 0.873 177 D CB 1.685 42.434 40.800 -0.085 0.000 1.183 177 D HN 0.056 nan 8.370 nan 0.000 0.458 178 P HA -0.049 nan 4.420 nan 0.000 0.226 178 P C 1.424 178.958 177.300 0.390 0.000 1.146 178 P CA 0.558 63.876 63.100 0.362 0.000 0.773 178 P CB 0.153 32.104 31.700 0.418 0.000 0.772 179 L N -1.352 120.015 121.223 0.239 0.000 2.450 179 L HA -0.144 4.195 4.340 -0.001 0.000 0.224 179 L C 2.203 179.238 176.870 0.276 0.000 1.149 179 L CA 0.752 55.704 54.840 0.187 0.000 0.816 179 L CB -0.743 41.344 42.059 0.046 0.000 0.932 179 L HN 0.012 nan 8.230 nan 0.000 0.449 180 A N -0.896 122.134 122.820 0.349 0.000 2.070 180 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 180 A C 1.796 179.377 177.584 -0.005 0.000 1.159 180 A CA 1.155 53.283 52.037 0.152 0.000 0.656 180 A CB -0.641 18.401 19.000 0.070 0.000 0.800 180 A HN 0.440 nan 8.150 nan 0.000 0.453 181 Y N -1.130 119.264 120.300 0.156 0.000 2.571 181 Y HA -0.030 4.520 4.550 -0.001 0.000 0.294 181 Y C 2.200 178.118 175.900 0.030 0.000 1.141 181 Y CA 0.945 59.103 58.100 0.098 0.000 1.308 181 Y CB 0.036 38.558 38.460 0.103 0.000 1.002 181 Y HN 0.152 nan 8.280 nan 0.000 0.551 182 V N -0.879 119.100 119.914 0.109 0.000 2.403 182 V HA -0.018 4.101 4.120 -0.001 0.000 0.239 182 V C -0.216 175.910 176.094 0.053 0.000 1.041 182 V CA 1.291 63.597 62.300 0.010 0.000 1.051 182 V CB 0.170 31.918 31.823 -0.125 0.000 0.704 182 V HN 0.216 nan 8.190 nan 0.000 0.472 183 D N -2.124 118.326 120.400 0.083 0.000 2.795 183 D HA 0.274 4.913 4.640 -0.001 0.000 0.206 183 D C -2.645 173.687 176.300 0.053 0.000 1.278 183 D CA -1.006 53.047 54.000 0.088 0.000 0.839 183 D CB 2.082 42.962 40.800 0.133 0.000 1.700 183 D HN -0.078 nan 8.370 nan 0.000 0.549 184 P HA 0.034 nan 4.420 nan 0.000 0.234 184 P C -0.084 176.630 177.300 -0.978 0.000 1.167 184 P CA 0.831 63.513 63.100 -0.697 0.000 0.763 184 P CB 0.003 31.211 31.700 -0.821 0.000 0.835 185 Y N -1.665 118.570 120.300 -0.108 0.000 2.681 185 Y HA 0.255 4.804 4.550 -0.001 0.000 0.267 185 Y C 0.878 176.868 175.900 0.151 0.000 1.166 185 Y CA -0.718 57.372 58.100 -0.018 0.000 1.209 185 Y CB -0.453 37.987 38.460 -0.033 0.000 1.161 185 Y HN -0.189 nan 8.280 nan 0.000 0.534 186 L N 4.043 125.497 121.223 0.385 0.000 2.483 186 L HA 0.066 4.406 4.340 -0.001 0.000 0.276 186 L C -1.615 175.417 176.870 0.270 0.000 1.213 186 L CA -1.438 53.582 54.840 0.299 0.000 0.843 186 L CB 0.468 42.673 42.059 0.245 0.000 1.107 186 L HN 0.016 nan 8.230 nan 0.000 0.487 187 P HA 0.117 nan 4.420 nan 0.000 0.226 187 P C -0.677 176.651 177.300 0.046 0.000 1.783 187 P CA 0.150 63.313 63.100 0.106 0.000 0.980 187 P CB -0.609 31.138 31.700 0.078 0.000 1.967 188 I N -2.869 117.706 120.570 0.008 0.000 2.648 188 I HA 0.461 4.630 4.170 -0.001 0.000 0.304 188 I C 1.463 177.540 176.117 -0.067 0.000 1.009 188 I CA -1.173 60.066 61.300 -0.102 0.000 1.114 188 I CB 1.972 39.791 38.000 -0.302 0.000 1.293 188 I HN -0.244 nan 8.210 nan 0.000 0.449 189 E N 2.772 122.934 120.200 -0.064 0.000 2.097 189 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 189 E C 1.952 178.539 176.600 -0.021 0.000 1.000 189 E CA 2.598 58.980 56.400 -0.029 0.000 0.804 189 E CB -0.109 29.572 29.700 -0.031 0.000 0.740 189 E HN 0.860 nan 8.360 nan 0.000 0.454 190 S N -0.722 114.929 115.700 -0.081 0.000 2.399 190 S HA -0.123 4.346 4.470 -0.001 0.000 0.231 190 S C 1.903 176.578 174.600 0.126 0.000 1.022 190 S CA 0.970 59.148 58.200 -0.036 0.000 0.983 190 S CB -0.550 62.580 63.200 -0.115 0.000 0.803 190 S HN 0.208 nan 8.310 nan 0.000 0.480 191 F N 2.254 122.178 119.950 -0.044 0.000 2.206 191 F HA 0.294 4.820 4.527 -0.001 0.000 0.298 191 F C 2.670 178.449 175.800 -0.035 0.000 1.090 191 F CA 0.158 58.125 58.000 -0.055 0.000 1.323 191 F CB -0.963 38.003 39.000 -0.056 0.000 1.028 191 F HN 0.252 nan 8.300 nan 0.000 0.492 192 R N 0.692 121.296 120.500 0.174 0.000 2.081 192 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 192 R C 2.292 178.631 176.300 0.064 0.000 1.131 192 R CA 1.350 57.510 56.100 0.099 0.000 0.960 192 R CB -0.103 30.238 30.300 0.068 0.000 0.856 192 R HN 0.160 nan 8.270 nan 0.000 0.436 193 R N -0.143 120.389 120.500 0.054 0.000 2.115 193 R HA -0.092 4.247 4.340 -0.001 0.000 0.230 193 R C 2.494 178.805 176.300 0.018 0.000 1.111 193 R CA 1.246 57.364 56.100 0.030 0.000 0.976 193 R CB -0.326 29.986 30.300 0.020 0.000 0.870 193 R HN 0.246 nan 8.270 nan 0.000 0.445 194 R N 1.192 121.712 120.500 0.032 0.000 2.070 194 R HA -0.159 4.180 4.340 -0.001 0.000 0.233 194 R C 1.120 177.402 176.300 -0.031 0.000 1.137 194 R CA 2.077 58.171 56.100 -0.010 0.000 0.945 194 R CB -0.149 30.148 30.300 -0.005 0.000 0.845 194 R HN 0.120 nan 8.270 nan 0.000 0.430 195 D N 0.465 120.860 120.400 -0.009 0.000 2.144 195 D HA -0.144 4.496 4.640 -0.001 0.000 0.199 195 D C 1.906 178.206 176.300 0.000 0.000 0.984 195 D CA 0.968 54.965 54.000 -0.006 0.000 0.834 195 D CB -0.168 40.646 40.800 0.024 0.000 0.955 195 D HN 0.284 nan 8.370 nan 0.000 0.465 196 E N 0.762 120.967 120.200 0.009 0.000 2.072 196 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 196 E C 2.112 178.710 176.600 -0.003 0.000 0.985 196 E CA 0.755 57.161 56.400 0.009 0.000 0.801 196 E CB -0.262 29.447 29.700 0.016 0.000 0.750 196 E HN 0.213 nan 8.360 nan 0.000 0.452 197 A N 1.319 124.130 122.820 -0.015 0.000 1.933 197 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 197 A C 2.222 179.775 177.584 -0.051 0.000 1.175 197 A CA 1.642 53.659 52.037 -0.033 0.000 0.628 197 A CB -0.461 18.511 19.000 -0.046 0.000 0.814 197 A HN 0.117 nan 8.150 nan 0.000 0.444 198 R N -0.256 120.214 120.500 -0.049 0.000 2.075 198 R HA -0.130 4.209 4.340 -0.001 0.000 0.232 198 R C 1.741 178.031 176.300 -0.016 0.000 1.126 198 R CA 1.543 57.616 56.100 -0.045 0.000 0.963 198 R CB -0.269 30.006 30.300 -0.043 0.000 0.858 198 R HN 0.536 nan 8.270 nan 0.000 0.435 199 N N -0.119 118.578 118.700 -0.005 0.000 2.166 199 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 199 N C 1.689 177.206 175.510 0.013 0.000 1.019 199 N CA 1.484 54.540 53.050 0.009 0.000 0.856 199 N CB -0.483 38.012 38.487 0.013 0.000 0.993 199 N HN 0.388 nan 8.380 nan 0.000 0.426 200 G N 1.255 110.056 108.800 0.002 0.000 2.422 200 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.218 200 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.218 200 G C 1.731 176.634 174.900 0.005 0.000 1.146 200 G CA 0.247 45.350 45.100 0.006 0.000 0.769 200 G HN 0.212 nan 8.290 nan 0.000 0.547 201 L N 0.213 121.420 121.223 -0.026 0.000 2.093 201 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 201 L C 2.982 179.895 176.870 0.071 0.000 1.085 201 L CA 0.329 55.148 54.840 -0.034 0.000 0.755 201 L CB -0.374 41.618 42.059 -0.112 0.000 0.904 201 L HN 0.078 nan 8.230 nan 0.000 0.435 202 V N 0.132 120.080 119.914 0.057 0.000 2.332 202 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 202 V C 2.744 178.889 176.094 0.086 0.000 1.055 202 V CA 1.855 64.199 62.300 0.074 0.000 1.038 202 V CB -0.913 30.938 31.823 0.046 0.000 0.651 202 V HN 0.493 nan 8.190 nan 0.000 0.450 203 A N -0.417 122.446 122.820 0.070 0.000 1.933 203 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 203 A C 2.225 179.868 177.584 0.098 0.000 1.175 203 A CA 1.625 53.705 52.037 0.072 0.000 0.628 203 A CB -0.476 18.556 19.000 0.054 0.000 0.814 203 A HN 0.497 nan 8.150 nan 0.000 0.444 204 L N -0.607 120.689 121.223 0.121 0.000 2.046 204 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 204 L C 2.531 179.528 176.870 0.212 0.000 1.077 204 L CA 1.124 56.062 54.840 0.163 0.000 0.747 204 L CB -0.547 41.641 42.059 0.215 0.000 0.896 204 L HN 0.256 nan 8.230 nan 0.000 0.432 205 V N 0.017 120.086 119.914 0.260 0.000 2.358 205 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 205 V C 2.732 178.949 176.094 0.205 0.000 1.047 205 V CA 1.698 64.184 62.300 0.311 0.000 1.035 205 V CB -0.764 31.244 31.823 0.308 0.000 0.658 205 V HN 0.470 nan 8.190 nan 0.000 0.452 206 A N -0.139 122.767 122.820 0.143 0.000 1.902 206 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 206 A C 1.994 179.639 177.584 0.102 0.000 1.181 206 A CA 1.985 54.085 52.037 0.105 0.000 0.623 206 A CB -0.580 18.468 19.000 0.079 0.000 0.818 206 A HN 0.535 nan 8.150 nan 0.000 0.443 207 D N 0.043 120.505 120.400 0.103 0.000 2.144 207 D HA -0.108 4.531 4.640 -0.001 0.000 0.199 207 D C 1.855 178.210 176.300 0.093 0.000 0.984 207 D CA 1.124 55.176 54.000 0.086 0.000 0.834 207 D CB -0.317 40.530 40.800 0.079 0.000 0.955 207 D HN 0.541 nan 8.370 nan 0.000 0.465 208 I N 0.361 121.006 120.570 0.125 0.000 2.252 208 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 208 I C 2.466 178.664 176.117 0.136 0.000 1.102 208 I CA 0.765 62.144 61.300 0.132 0.000 1.385 208 I CB -0.166 37.952 38.000 0.196 0.000 1.064 208 I HN -0.047 nan 8.210 nan 0.000 0.414 209 M N 0.246 119.934 119.600 0.146 0.000 2.086 209 M HA -0.208 4.271 4.480 -0.001 0.000 0.261 209 M C 2.006 178.359 176.300 0.088 0.000 1.067 209 M CA 1.759 57.131 55.300 0.120 0.000 1.116 209 M CB -0.547 32.118 32.600 0.109 0.000 1.348 209 M HN 0.245 nan 8.290 nan 0.000 0.407 210 N N 0.304 119.050 118.700 0.077 0.000 2.244 210 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 210 N C 1.777 177.319 175.510 0.054 0.000 1.016 210 N CA 1.556 54.642 53.050 0.059 0.000 0.866 210 N CB -0.508 38.011 38.487 0.053 0.000 0.980 210 N HN 0.456 nan 8.380 nan 0.000 0.430 211 G N 1.133 109.969 108.800 0.059 0.000 2.422 211 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 211 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 211 G C 1.707 176.636 174.900 0.048 0.000 1.140 211 G CA 0.223 45.352 45.100 0.048 0.000 0.775 211 G HN 0.297 nan 8.290 nan 0.000 0.545 212 R N -0.290 120.247 120.500 0.061 0.000 2.148 212 R HA 0.167 4.507 4.340 -0.001 0.000 0.223 212 R C 2.440 178.770 176.300 0.048 0.000 1.088 212 R CA 0.466 56.601 56.100 0.058 0.000 0.985 212 R CB -0.246 30.101 30.300 0.077 0.000 0.880 212 R HN 0.385 nan 8.270 nan 0.000 0.451 213 I N 0.505 121.104 120.570 0.048 0.000 2.202 213 I HA -0.229 3.940 4.170 -0.001 0.000 0.242 213 I C 2.485 178.622 176.117 0.032 0.000 1.091 213 I CA 1.386 62.710 61.300 0.039 0.000 1.368 213 I CB -0.301 37.722 38.000 0.039 0.000 1.058 213 I HN 0.149 nan 8.210 nan 0.000 0.410 214 A N -0.078 122.761 122.820 0.031 0.000 2.016 214 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 214 A C 1.203 178.801 177.584 0.023 0.000 1.162 214 A CA 1.124 53.177 52.037 0.026 0.000 0.662 214 A CB -0.321 18.694 19.000 0.025 0.000 0.812 214 A HN 0.456 nan 8.150 nan 0.000 0.450 215 N N 0.250 118.965 118.700 0.026 0.000 2.791 215 N HA 0.383 5.122 4.740 -0.001 0.000 0.265 215 N C -2.928 172.596 175.510 0.024 0.000 1.580 215 N CA -1.440 51.623 53.050 0.022 0.000 0.809 215 N CB 0.434 38.932 38.487 0.019 0.000 1.178 215 N HN 0.025 nan 8.380 nan 0.000 0.499 223 R N 0.658 121.174 120.500 0.028 0.000 2.740 223 R HA 0.801 5.141 4.340 -0.001 0.000 0.273 223 R C -1.206 175.114 176.300 0.034 0.000 0.998 223 R CA -0.805 55.316 56.100 0.035 0.000 0.900 223 R CB 2.334 32.654 30.300 0.034 0.000 1.223 223 R HN 0.681 nan 8.270 nan 0.000 0.466 224 D N 0.108 120.532 120.400 0.041 0.000 2.801 224 D HA 0.144 4.784 4.640 -0.001 0.000 0.277 224 D C 0.650 176.962 176.300 0.020 0.000 1.125 224 D CA -0.885 53.130 54.000 0.025 0.000 1.102 224 D CB 0.426 41.243 40.800 0.028 0.000 1.400 224 D HN 0.427 nan 8.370 nan 0.000 0.601 225 M N -0.571 119.018 119.600 -0.017 0.000 2.279 225 M HA -0.038 4.442 4.480 -0.001 0.000 0.264 225 M C 1.504 177.856 176.300 0.087 0.000 1.062 225 M CA 1.070 56.377 55.300 0.010 0.000 1.099 225 M CB -0.137 32.443 32.600 -0.032 0.000 1.394 225 M HN 0.423 nan 8.290 nan 0.000 0.426 226 L N 0.735 122.022 121.223 0.107 0.000 2.056 226 L HA -0.195 4.145 4.340 -0.001 0.000 0.207 226 L C 1.688 178.628 176.870 0.116 0.000 1.078 226 L CA 1.994 56.947 54.840 0.189 0.000 0.749 226 L CB -0.875 41.313 42.059 0.217 0.000 0.901 226 L HN 0.284 nan 8.230 nan 0.000 0.433 227 D N -0.772 119.686 120.400 0.096 0.000 2.144 227 D HA -0.162 4.478 4.640 -0.001 0.000 0.199 227 D C 2.315 178.659 176.300 0.073 0.000 0.984 227 D CA 1.621 55.670 54.000 0.081 0.000 0.834 227 D CB -0.158 40.682 40.800 0.067 0.000 0.955 227 D HN 0.301 nan 8.370 nan 0.000 0.465 228 V N 1.411 121.365 119.914 0.066 0.000 2.287 228 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 228 V C 2.679 178.828 176.094 0.091 0.000 1.053 228 V CA 1.246 63.585 62.300 0.065 0.000 1.027 228 V CB -0.479 31.373 31.823 0.049 0.000 0.646 228 V HN 0.184 nan 8.190 nan 0.000 0.447 229 L N -0.840 120.431 121.223 0.079 0.000 2.093 229 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 229 L C 2.342 179.339 176.870 0.211 0.000 1.085 229 L CA 1.486 56.395 54.840 0.114 0.000 0.755 229 L CB -0.490 41.509 42.059 -0.100 0.000 0.904 229 L HN 0.258 nan 8.230 nan 0.000 0.435 230 I N 0.111 120.757 120.570 0.127 0.000 2.286 230 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 230 I C 2.701 178.875 176.117 0.096 0.000 1.115 230 I CA 1.118 62.486 61.300 0.113 0.000 1.392 230 I CB -0.380 37.673 38.000 0.089 0.000 1.065 230 I HN 0.204 nan 8.210 nan 0.000 0.418 231 A N 0.359 123.233 122.820 0.089 0.000 2.066 231 A HA 0.012 4.331 4.320 -0.001 0.000 0.218 231 A C 1.249 178.863 177.584 0.050 0.000 1.157 231 A CA 0.374 52.448 52.037 0.062 0.000 0.670 231 A CB -0.594 18.439 19.000 0.055 0.000 0.804 231 A HN 0.159 nan 8.150 nan 0.000 0.453 232 V N 2.204 122.164 119.914 0.077 0.000 2.585 232 V HA 0.111 4.230 4.120 -0.001 0.000 0.296 232 V C 0.050 176.103 176.094 -0.069 0.000 1.035 232 V CA 0.111 62.421 62.300 0.017 0.000 1.084 232 V CB 0.484 32.340 31.823 0.055 0.000 0.953 232 V HN 0.307 nan 8.190 nan 0.000 0.483 233 K N 3.281 123.634 120.400 -0.078 0.000 2.156 233 K HA 0.767 5.087 4.320 -0.001 0.000 0.254 233 K C 0.106 176.630 176.600 -0.128 0.000 0.950 233 K CA -0.388 55.844 56.287 -0.091 0.000 0.849 233 K CB 2.194 34.664 32.500 -0.050 0.000 1.100 233 K HN 0.735 nan 8.250 nan 0.000 0.434 234 A N 1.312 124.053 122.820 -0.132 0.000 2.259 234 A HA 0.418 4.738 4.320 -0.001 0.000 0.278 234 A C 0.567 178.101 177.584 -0.084 0.000 1.107 234 A CA 0.105 52.062 52.037 -0.132 0.000 0.828 234 A CB -0.211 18.711 19.000 -0.129 0.000 1.111 234 A HN 0.740 nan 8.150 nan 0.000 0.498 235 E N -0.859 119.298 120.200 -0.072 0.000 2.975 235 E HA 0.411 4.761 4.350 -0.001 0.000 0.301 235 E C 0.546 177.122 176.600 -0.041 0.000 1.554 235 E CA 0.957 57.327 56.400 -0.050 0.000 1.716 235 E CB -1.410 28.265 29.700 -0.043 0.000 1.365 235 E HN 1.605 nan 8.360 nan 0.000 0.469 236 T N -2.734 111.795 114.554 -0.041 0.000 3.526 236 T HA 0.482 4.831 4.350 -0.001 0.000 0.292 236 T C 1.759 176.441 174.700 -0.029 0.000 0.872 236 T CA 1.027 63.107 62.100 -0.032 0.000 0.843 236 T CB -0.271 68.578 68.868 -0.033 0.000 1.227 236 T HN 1.638 nan 8.240 nan 0.000 0.776 237 G N 0.903 109.682 108.800 -0.034 0.000 2.213 237 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.236 237 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.236 237 G C 0.334 175.216 174.900 -0.030 0.000 0.991 237 G CA 0.463 45.546 45.100 -0.028 0.000 0.629 237 G HN 0.993 nan 8.290 nan 0.000 0.517 238 T N 2.991 117.523 114.554 -0.037 0.000 2.913 238 T HA 0.525 4.874 4.350 -0.001 0.000 0.287 238 T C -2.272 172.396 174.700 -0.053 0.000 1.008 238 T CA -0.770 61.308 62.100 -0.036 0.000 1.067 238 T CB 1.660 70.507 68.868 -0.035 0.000 0.996 238 T HN 0.038 nan 8.240 nan 0.000 0.513 239 P HA 0.121 nan 4.420 nan 0.000 0.262 239 P C 0.513 177.745 177.300 -0.114 0.000 1.182 239 P CA -0.119 62.950 63.100 -0.052 0.000 0.761 239 P CB 0.568 32.263 31.700 -0.009 0.000 0.795 240 R N 4.173 124.538 120.500 -0.224 0.000 2.075 240 R HA 0.019 4.358 4.340 -0.001 0.000 0.232 240 R C 0.093 176.089 176.300 -0.506 0.000 1.126 240 R CA 1.555 57.380 56.100 -0.459 0.000 0.963 240 R CB -0.564 29.268 30.300 -0.780 0.000 0.858 240 R HN 0.326 nan 8.270 nan 0.000 0.435 241 F N 0.694 120.627 119.950 -0.029 0.000 2.443 241 F HA 0.394 4.920 4.527 -0.001 0.000 0.335 241 F C 0.596 176.373 175.800 -0.039 0.000 1.104 241 F CA -0.943 57.032 58.000 -0.043 0.000 1.013 241 F CB 1.559 40.520 39.000 -0.066 0.000 1.136 241 F HN 0.012 nan 8.300 nan 0.000 0.470 242 S N 1.242 117.038 115.700 0.160 0.000 2.693 242 S HA 0.659 5.128 4.470 -0.001 0.000 0.276 242 S C 1.039 175.671 174.600 0.054 0.000 1.192 242 S CA -0.286 57.962 58.200 0.080 0.000 0.994 242 S CB 1.470 64.703 63.200 0.054 0.000 1.012 242 S HN 0.777 nan 8.310 nan 0.000 0.550 243 A N 0.498 123.341 122.820 0.039 0.000 1.933 243 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 243 A C 1.756 179.342 177.584 0.004 0.000 1.175 243 A CA 2.083 54.134 52.037 0.025 0.000 0.628 243 A CB -1.450 17.580 19.000 0.050 0.000 0.814 243 A HN 1.005 nan 8.150 nan 0.000 0.444 244 D N -0.482 119.928 120.400 0.017 0.000 2.097 244 D HA -0.173 4.466 4.640 -0.001 0.000 0.195 244 D C 1.904 178.197 176.300 -0.011 0.000 0.989 244 D CA 1.764 55.771 54.000 0.012 0.000 0.827 244 D CB -0.149 40.664 40.800 0.021 0.000 0.966 244 D HN 0.632 nan 8.370 nan 0.000 0.456 245 E N -0.198 119.999 120.200 -0.006 0.000 2.077 245 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 245 E C 2.425 178.922 176.600 -0.171 0.000 0.989 245 E CA 0.784 57.165 56.400 -0.031 0.000 0.800 245 E CB -0.086 29.663 29.700 0.081 0.000 0.746 245 E HN 0.443 nan 8.360 nan 0.000 0.452 246 I N 1.128 121.554 120.570 -0.239 0.000 2.226 246 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 246 I C 2.381 178.153 176.117 -0.574 0.000 1.100 246 I CA 1.153 62.135 61.300 -0.530 0.000 1.374 246 I CB -0.386 37.312 38.000 -0.503 0.000 1.057 246 I HN 0.111 nan 8.210 nan 0.000 0.413 247 T N 0.425 114.835 114.554 -0.241 0.000 2.746 247 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 247 T C 1.925 176.644 174.700 0.032 0.000 1.039 247 T CA 1.482 63.562 62.100 -0.034 0.000 1.142 247 T CB -0.728 68.177 68.868 0.062 0.000 0.866 247 T HN 0.585 nan 8.240 nan 0.000 0.444 248 G N 1.169 109.961 108.800 -0.014 0.000 2.418 248 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 248 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 248 G C 1.568 176.480 174.900 0.021 0.000 1.158 248 G CA 0.691 45.815 45.100 0.040 0.000 0.771 248 G HN 0.407 nan 8.290 nan 0.000 0.545 249 M N -0.266 119.275 119.600 -0.099 0.000 2.086 249 M HA 0.047 4.527 4.480 -0.001 0.000 0.261 249 M C 2.332 178.713 176.300 0.136 0.000 1.067 249 M CA 1.140 56.386 55.300 -0.091 0.000 1.116 249 M CB -0.370 32.080 32.600 -0.250 0.000 1.348 249 M HN 0.137 nan 8.290 nan 0.000 0.407 250 F N 0.618 120.567 119.950 -0.001 0.000 2.186 250 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 250 F C 2.259 178.196 175.800 0.227 0.000 1.090 250 F CA 0.861 58.895 58.000 0.058 0.000 1.307 250 F CB -1.176 37.859 39.000 0.059 0.000 1.019 250 F HN 0.090 nan 8.300 nan 0.000 0.489 251 I N 0.009 120.875 120.570 0.493 0.000 2.163 251 I HA -0.344 3.826 4.170 -0.001 0.000 0.243 251 I C 2.577 179.047 176.117 0.588 0.000 1.085 251 I CA 1.756 63.408 61.300 0.588 0.000 1.347 251 I CB -0.622 37.625 38.000 0.411 0.000 1.044 251 I HN 0.142 nan 8.210 nan 0.000 0.408 252 S N 0.954 116.854 115.700 0.333 0.000 2.368 252 S HA -0.203 4.267 4.470 -0.001 0.000 0.225 252 S C 2.027 176.715 174.600 0.147 0.000 1.030 252 S CA 1.134 59.359 58.200 0.043 0.000 0.999 252 S CB -0.636 62.220 63.200 -0.573 0.000 0.844 252 S HN 0.353 nan 8.310 nan 0.000 0.459 253 M N 0.709 120.391 119.600 0.138 0.000 2.213 253 M HA 0.021 4.500 4.480 -0.001 0.000 0.263 253 M C 2.218 178.599 176.300 0.136 0.000 1.062 253 M CA 1.596 56.953 55.300 0.095 0.000 1.105 253 M CB -0.605 32.030 32.600 0.059 0.000 1.385 253 M HN 0.369 nan 8.290 nan 0.000 0.417 254 M N -2.050 117.695 119.600 0.243 0.000 2.510 254 M HA 0.033 4.513 4.480 -0.001 0.000 0.256 254 M C 1.678 178.193 176.300 0.357 0.000 1.132 254 M CA 0.609 56.036 55.300 0.211 0.000 1.105 254 M CB -0.131 32.522 32.600 0.088 0.000 1.375 254 M HN 0.083 nan 8.290 nan 0.000 0.477 255 F N 1.558 121.768 119.950 0.433 0.000 2.216 255 F HA -0.119 4.407 4.527 -0.001 0.000 0.300 255 F C 2.396 178.418 175.800 0.370 0.000 1.085 255 F CA 1.462 59.768 58.000 0.511 0.000 1.326 255 F CB -0.036 39.304 39.000 0.566 0.000 1.027 255 F HN 0.103 nan 8.300 nan 0.000 0.497 256 A N -0.407 122.652 122.820 0.398 0.000 1.898 256 A HA -0.022 4.298 4.320 -0.001 0.000 0.216 256 A C 2.369 179.991 177.584 0.063 0.000 1.181 256 A CA 1.626 53.807 52.037 0.240 0.000 0.620 256 A CB -1.533 17.588 19.000 0.202 0.000 0.819 256 A HN 0.412 nan 8.150 nan 0.000 0.442 257 G N -2.595 106.253 108.800 0.080 0.000 2.838 257 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.210 257 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.210 257 G C 1.368 176.274 174.900 0.009 0.000 1.153 257 G CA 0.752 45.882 45.100 0.050 0.000 0.778 257 G HN 0.686 nan 8.290 nan 0.000 0.539 258 H N 1.489 120.518 119.070 -0.068 0.000 2.268 258 H HA -0.147 4.408 4.556 -0.001 0.000 0.304 258 H C 2.487 177.790 175.328 -0.042 0.000 1.064 258 H CA 1.935 57.943 56.048 -0.067 0.000 1.316 258 H CB -0.162 29.545 29.762 -0.092 0.000 1.386 258 H HN 0.579 nan 8.280 nan 0.000 0.496 259 H N -0.157 118.788 119.070 -0.208 0.000 2.457 259 H HA -0.050 4.505 4.556 -0.001 0.000 0.294 259 H C 2.171 177.425 175.328 -0.124 0.000 1.064 259 H CA 1.943 57.870 56.048 -0.202 0.000 1.330 259 H CB -0.628 29.080 29.762 -0.090 0.000 1.395 259 H HN 0.357 nan 8.280 nan 0.000 0.541 260 T N -2.272 111.945 114.554 -0.563 0.000 2.770 260 T HA -0.093 4.256 4.350 -0.001 0.000 0.263 260 T C 2.211 176.824 174.700 -0.145 0.000 1.039 260 T CA 1.155 63.062 62.100 -0.321 0.000 1.142 260 T CB -0.737 67.948 68.868 -0.304 0.000 0.868 260 T HN 0.345 nan 8.240 nan 0.000 0.435 261 S N 1.329 116.951 115.700 -0.130 0.000 2.383 261 S HA -0.053 4.416 4.470 -0.001 0.000 0.227 261 S C 2.388 176.908 174.600 -0.133 0.000 1.026 261 S CA 1.114 59.264 58.200 -0.083 0.000 0.981 261 S CB -0.623 62.556 63.200 -0.035 0.000 0.818 261 S HN 0.645 nan 8.310 nan 0.000 0.472 262 S N 1.266 116.854 115.700 -0.187 0.000 2.348 262 S HA -0.080 4.389 4.470 -0.001 0.000 0.221 262 S C 2.102 176.635 174.600 -0.113 0.000 1.033 262 S CA 1.660 59.764 58.200 -0.161 0.000 1.010 262 S CB -0.874 62.174 63.200 -0.253 0.000 0.891 262 S HN 0.576 nan 8.310 nan 0.000 0.442 263 G N 0.062 108.838 108.800 -0.039 0.000 2.418 263 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.217 263 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.217 263 G C 1.519 176.473 174.900 0.091 0.000 1.158 263 G CA 1.444 46.589 45.100 0.075 0.000 0.771 263 G HN 0.568 nan 8.290 nan 0.000 0.545 264 T N 1.575 116.132 114.554 0.005 0.000 2.788 264 T HA 0.041 4.391 4.350 -0.001 0.000 0.268 264 T C 2.807 177.462 174.700 -0.075 0.000 1.044 264 T CA 1.419 63.520 62.100 0.001 0.000 1.139 264 T CB -0.300 68.546 68.868 -0.035 0.000 0.867 264 T HN 0.367 nan 8.240 nan 0.000 0.454 265 A N 1.277 123.955 122.820 -0.237 0.000 1.898 265 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 265 A C 2.625 179.839 177.584 -0.616 0.000 1.181 265 A CA 1.867 53.630 52.037 -0.457 0.000 0.620 265 A CB -0.883 17.505 19.000 -1.020 0.000 0.819 265 A HN 0.425 nan 8.150 nan 0.000 0.442 266 S N -1.360 113.980 115.700 -0.601 0.000 2.356 266 S HA -0.210 4.259 4.470 -0.001 0.000 0.223 266 S C 1.585 175.979 174.600 -0.343 0.000 1.032 266 S CA 1.504 59.500 58.200 -0.341 0.000 1.005 266 S CB -0.502 62.559 63.200 -0.232 0.000 0.867 266 S HN 0.779 nan 8.310 nan 0.000 0.449 267 W N 1.667 122.852 121.300 -0.192 0.000 2.425 267 W HA -0.035 4.624 4.660 -0.001 0.000 0.277 267 W C 2.635 179.040 176.519 -0.190 0.000 1.231 267 W CA 0.901 58.109 57.345 -0.228 0.000 1.248 267 W CB -0.782 28.516 29.460 -0.269 0.000 1.117 267 W HN 0.205 nan 8.180 nan 0.000 0.568 268 T N 0.796 115.339 114.554 -0.018 0.000 2.777 268 T HA -0.205 4.144 4.350 -0.001 0.000 0.266 268 T C 1.725 176.263 174.700 -0.270 0.000 1.040 268 T CA 1.339 63.330 62.100 -0.182 0.000 1.141 268 T CB -0.568 68.036 68.868 -0.440 0.000 0.868 268 T HN -0.036 nan 8.240 nan 0.000 0.444 269 L N 0.940 122.055 121.223 -0.180 0.000 2.093 269 L HA 0.126 4.465 4.340 -0.001 0.000 0.208 269 L C 2.084 178.841 176.870 -0.187 0.000 1.085 269 L CA 1.384 56.154 54.840 -0.116 0.000 0.755 269 L CB -0.670 41.427 42.059 0.064 0.000 0.904 269 L HN 0.269 nan 8.230 nan 0.000 0.435 270 I N -0.533 119.877 120.570 -0.266 0.000 2.179 270 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 270 I C 2.327 178.312 176.117 -0.221 0.000 1.088 270 I CA 1.143 62.206 61.300 -0.394 0.000 1.357 270 I CB -0.392 37.238 38.000 -0.616 0.000 1.051 270 I HN 0.275 nan 8.210 nan 0.000 0.409 271 E N 0.603 120.732 120.200 -0.117 0.000 2.204 271 E HA -0.137 4.213 4.350 -0.001 0.000 0.194 271 E C 2.339 178.825 176.600 -0.189 0.000 0.989 271 E CA 0.960 57.247 56.400 -0.188 0.000 0.824 271 E CB -0.163 29.367 29.700 -0.282 0.000 0.756 271 E HN 0.524 nan 8.360 nan 0.000 0.477 272 L N 0.006 121.151 121.223 -0.129 0.000 2.056 272 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 272 L C 2.581 179.535 176.870 0.140 0.000 1.078 272 L CA 0.958 55.772 54.840 -0.044 0.000 0.749 272 L CB -0.300 41.601 42.059 -0.264 0.000 0.901 272 L HN 0.132 nan 8.230 nan 0.000 0.433 273 M N -1.157 118.493 119.600 0.083 0.000 2.254 273 M HA -0.142 4.338 4.480 -0.001 0.000 0.265 273 M C 2.268 178.562 176.300 -0.010 0.000 1.066 273 M CA 1.440 56.821 55.300 0.136 0.000 1.123 273 M CB -0.273 32.359 32.600 0.054 0.000 1.388 273 M HN 0.120 nan 8.290 nan 0.000 0.425 274 R N -0.616 119.799 120.500 -0.143 0.000 2.189 274 R HA -0.015 4.324 4.340 -0.001 0.000 0.218 274 R C 0.166 176.123 176.300 -0.572 0.000 1.074 274 R CA 0.712 56.609 56.100 -0.339 0.000 0.991 274 R CB 0.089 30.130 30.300 -0.432 0.000 0.883 274 R HN 0.417 nan 8.270 nan 0.000 0.457 275 H N 0.131 119.166 119.070 -0.058 0.000 2.541 275 H HA 0.249 4.805 4.556 -0.001 0.000 0.246 275 H C 0.378 175.771 175.328 0.109 0.000 1.341 275 H CA -0.459 55.601 56.048 0.020 0.000 1.469 275 H CB 0.865 30.622 29.762 -0.007 0.000 1.472 275 H HN -0.049 nan 8.280 nan 0.000 0.503 276 R N 1.041 121.629 120.500 0.147 0.000 2.139 276 R HA -0.133 4.206 4.340 -0.001 0.000 0.243 276 R C 1.350 177.756 176.300 0.177 0.000 1.145 276 R CA 1.241 57.427 56.100 0.143 0.000 0.976 276 R CB -0.221 30.104 30.300 0.042 0.000 0.866 276 R HN 0.666 nan 8.270 nan 0.000 0.449 277 D N 0.337 120.844 120.400 0.178 0.000 2.144 277 D HA -0.112 4.527 4.640 -0.001 0.000 0.199 277 D C 1.622 178.039 176.300 0.195 0.000 0.984 277 D CA 1.346 55.444 54.000 0.163 0.000 0.834 277 D CB -0.332 40.558 40.800 0.150 0.000 0.955 277 D HN 0.165 nan 8.370 nan 0.000 0.465 278 A N 0.027 122.999 122.820 0.253 0.000 1.897 278 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 278 A C 2.216 179.949 177.584 0.249 0.000 1.181 278 A CA 1.011 53.198 52.037 0.249 0.000 0.620 278 A CB -1.140 18.069 19.000 0.348 0.000 0.821 278 A HN 0.258 nan 8.150 nan 0.000 0.443 279 Y N 0.863 121.238 120.300 0.126 0.000 2.128 279 Y HA -0.181 4.368 4.550 -0.001 0.000 0.284 279 Y C 2.742 178.703 175.900 0.102 0.000 1.154 279 Y CA 1.088 59.252 58.100 0.106 0.000 1.149 279 Y CB -0.865 37.655 38.460 0.101 0.000 0.976 279 Y HN 0.311 nan 8.280 nan 0.000 0.505 280 A N 0.097 123.124 122.820 0.344 0.000 1.908 280 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 280 A C 2.475 180.168 177.584 0.181 0.000 1.181 280 A CA 2.133 54.297 52.037 0.213 0.000 0.627 280 A CB -1.448 17.623 19.000 0.118 0.000 0.818 280 A HN 0.559 nan 8.150 nan 0.000 0.445 281 A N -0.695 122.223 122.820 0.162 0.000 1.930 281 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 281 A C 2.221 179.875 177.584 0.118 0.000 1.175 281 A CA 1.709 53.819 52.037 0.121 0.000 0.627 281 A CB -0.843 18.220 19.000 0.105 0.000 0.815 281 A HN 0.378 nan 8.150 nan 0.000 0.443 282 V N 0.571 120.565 119.914 0.133 0.000 2.358 282 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 282 V C 2.437 178.609 176.094 0.131 0.000 1.047 282 V CA 1.630 63.991 62.300 0.102 0.000 1.035 282 V CB -0.627 31.223 31.823 0.045 0.000 0.658 282 V HN 0.498 nan 8.190 nan 0.000 0.452 283 I N 0.250 120.935 120.570 0.191 0.000 2.179 283 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 283 I C 2.349 178.549 176.117 0.139 0.000 1.088 283 I CA 1.691 63.109 61.300 0.197 0.000 1.357 283 I CB -1.371 36.784 38.000 0.259 0.000 1.051 283 I HN 0.355 nan 8.210 nan 0.000 0.409 284 D N 0.439 120.912 120.400 0.121 0.000 2.123 284 D HA -0.231 4.408 4.640 -0.001 0.000 0.196 284 D C 2.092 178.440 176.300 0.081 0.000 0.992 284 D CA 1.245 55.299 54.000 0.090 0.000 0.833 284 D CB -0.118 40.728 40.800 0.077 0.000 0.954 284 D HN 0.479 nan 8.370 nan 0.000 0.455 285 E N 0.373 120.622 120.200 0.082 0.000 2.051 285 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 285 E C 2.413 179.059 176.600 0.077 0.000 0.991 285 E CA 0.513 56.953 56.400 0.067 0.000 0.799 285 E CB -0.045 29.693 29.700 0.062 0.000 0.748 285 E HN 0.198 nan 8.360 nan 0.000 0.449 286 L N 0.997 122.290 121.223 0.117 0.000 2.017 286 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 286 L C 2.227 179.217 176.870 0.199 0.000 1.073 286 L CA 1.202 56.155 54.840 0.188 0.000 0.745 286 L CB -0.404 41.762 42.059 0.179 0.000 0.894 286 L HN 0.154 nan 8.230 nan 0.000 0.432 287 D N -0.304 120.173 120.400 0.130 0.000 2.144 287 D HA -0.222 4.417 4.640 -0.001 0.000 0.199 287 D C 2.020 178.375 176.300 0.091 0.000 0.984 287 D CA 1.198 55.262 54.000 0.108 0.000 0.834 287 D CB 0.026 40.873 40.800 0.079 0.000 0.955 287 D HN 0.403 nan 8.370 nan 0.000 0.465 288 E N 0.254 120.494 120.200 0.066 0.000 2.046 288 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 288 E C 2.364 178.968 176.600 0.007 0.000 0.982 288 E CA 0.338 56.762 56.400 0.039 0.000 0.800 288 E CB -0.009 29.711 29.700 0.034 0.000 0.756 288 E HN 0.166 nan 8.360 nan 0.000 0.449 289 L N -0.160 121.035 121.223 -0.047 0.000 1.994 289 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 289 L C 2.144 178.772 176.870 -0.404 0.000 1.071 289 L CA 1.270 55.969 54.840 -0.236 0.000 0.745 289 L CB -0.452 41.365 42.059 -0.405 0.000 0.892 289 L HN 0.265 nan 8.230 nan 0.000 0.431 290 Y N -0.023 120.123 120.300 -0.256 0.000 2.632 290 Y HA -0.053 4.496 4.550 -0.001 0.000 0.301 290 Y C 2.278 178.179 175.900 0.002 0.000 1.172 290 Y CA 0.624 58.648 58.100 -0.127 0.000 1.328 290 Y CB -0.610 37.810 38.460 -0.066 0.000 1.016 290 Y HN 0.118 nan 8.280 nan 0.000 0.529 291 G N -0.043 108.808 108.800 0.085 0.000 2.559 291 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.216 291 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.216 291 G C 1.089 176.025 174.900 0.061 0.000 1.126 291 G CA 0.929 46.073 45.100 0.073 0.000 0.778 291 G HN 0.488 nan 8.290 nan 0.000 0.543 292 D N -0.673 119.770 120.400 0.072 0.000 2.349 292 D HA 0.165 4.804 4.640 -0.001 0.000 0.224 292 D C 1.756 178.067 176.300 0.018 0.000 1.029 292 D CA 0.515 54.542 54.000 0.045 0.000 0.879 292 D CB -0.577 40.257 40.800 0.055 0.000 0.906 292 D HN 0.371 nan 8.370 nan 0.000 0.528 293 G N 0.204 109.045 108.800 0.068 0.000 2.162 293 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.260 293 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.260 293 G C 0.210 175.127 174.900 0.028 0.000 0.976 293 G CA -0.085 45.047 45.100 0.053 0.000 0.655 293 G HN 0.328 nan 8.290 nan 0.000 0.533 294 R N 0.862 121.370 120.500 0.014 0.000 2.500 294 R HA 0.612 4.952 4.340 -0.001 0.000 0.275 294 R C 1.162 177.569 176.300 0.177 0.000 1.051 294 R CA 0.183 56.210 56.100 -0.121 0.000 1.088 294 R CB 0.941 30.823 30.300 -0.697 0.000 1.063 294 R HN 0.625 nan 8.270 nan 0.000 0.511 295 S N -0.485 115.306 115.700 0.153 0.000 2.617 295 S HA 0.062 4.532 4.470 -0.001 0.000 0.259 295 S C 1.450 176.318 174.600 0.446 0.000 1.301 295 S CA -0.768 57.601 58.200 0.281 0.000 0.984 295 S CB 0.559 63.858 63.200 0.164 0.000 0.954 295 S HN 0.255 nan 8.310 nan 0.000 0.572 296 V N 1.725 121.897 119.914 0.430 0.000 2.515 296 V HA -0.146 3.973 4.120 -0.001 0.000 0.250 296 V C 2.921 179.177 176.094 0.270 0.000 1.058 296 V CA 2.099 64.662 62.300 0.439 0.000 1.064 296 V CB -1.478 30.495 31.823 0.249 0.000 0.675 296 V HN 1.056 nan 8.190 nan 0.000 0.461 297 S N -0.386 115.431 115.700 0.195 0.000 2.447 297 S HA -0.184 4.286 4.470 -0.001 0.000 0.233 297 S C 1.823 176.495 174.600 0.120 0.000 1.006 297 S CA 1.471 59.749 58.200 0.130 0.000 0.957 297 S CB -0.561 62.700 63.200 0.101 0.000 0.773 297 S HN 0.596 nan 8.310 nan 0.000 0.507 298 F N 2.239 122.173 119.950 -0.027 0.000 2.188 298 F HA 0.173 4.700 4.527 -0.000 0.000 0.289 298 F C 2.605 178.285 175.800 -0.201 0.000 1.082 298 F CA 1.204 59.112 58.000 -0.153 0.000 1.282 298 F CB -0.283 38.555 39.000 -0.270 0.000 1.060 298 F HN 0.154 nan 8.300 nan 0.000 0.493 299 H N -0.032 119.081 119.070 0.072 0.000 2.462 299 H HA 0.117 4.672 4.556 -0.001 0.000 0.292 299 H C 2.201 177.487 175.328 -0.070 0.000 1.049 299 H CA 1.069 57.050 56.048 -0.110 0.000 1.334 299 H CB -0.542 29.037 29.762 -0.305 0.000 1.404 299 H HN 0.389 nan 8.280 nan 0.000 0.544 300 A N 0.536 123.430 122.820 0.123 0.000 2.209 300 A HA -0.022 4.297 4.320 -0.001 0.000 0.212 300 A C 1.743 179.321 177.584 -0.010 0.000 1.158 300 A CA 0.684 52.769 52.037 0.080 0.000 0.742 300 A CB -0.210 18.846 19.000 0.093 0.000 0.790 300 A HN 0.157 nan 8.150 nan 0.000 0.472 301 L N -1.161 120.011 121.223 -0.085 0.000 2.728 301 L HA 0.333 4.672 4.340 -0.001 0.000 0.238 301 L C 0.817 177.580 176.870 -0.179 0.000 1.143 301 L CA 0.518 55.285 54.840 -0.122 0.000 0.937 301 L CB -0.008 41.967 42.059 -0.139 0.000 1.225 301 L HN 0.212 nan 8.230 nan 0.000 0.507 302 R N -1.293 119.096 120.500 -0.185 0.000 2.930 302 R HA 0.481 4.821 4.340 -0.001 0.000 0.257 302 R C -0.426 175.828 176.300 -0.076 0.000 1.107 302 R CA -0.908 55.083 56.100 -0.182 0.000 0.999 302 R CB 1.110 31.211 30.300 -0.331 0.000 1.209 302 R HN 0.026 nan 8.270 nan 0.000 0.486 303 Q N 1.058 120.824 119.800 -0.057 0.000 2.286 303 Q HA 0.115 4.455 4.340 -0.001 0.000 0.290 303 Q C -0.311 175.691 176.000 0.002 0.000 1.049 303 Q CA 0.845 56.633 55.803 -0.024 0.000 0.923 303 Q CB 0.478 29.202 28.738 -0.023 0.000 1.183 303 Q HN 0.386 nan 8.270 nan 0.000 0.383 304 I N 4.478 125.052 120.570 0.008 0.000 2.871 304 I HA 0.129 4.299 4.170 -0.001 0.000 0.284 304 I C -2.050 174.075 176.117 0.014 0.000 1.390 304 I CA -1.808 59.505 61.300 0.022 0.000 0.958 304 I CB 1.153 39.182 38.000 0.049 0.000 1.618 304 I HN 0.372 nan 8.210 nan 0.000 0.595 305 P HA -0.281 nan 4.420 nan 0.000 0.216 305 P C 1.488 178.792 177.300 0.008 0.000 1.167 305 P CA 1.737 64.839 63.100 0.004 0.000 0.933 305 P CB 0.160 31.864 31.700 0.006 0.000 0.793 306 Q N -1.352 118.460 119.800 0.020 0.000 2.061 306 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 306 Q C 2.223 178.233 176.000 0.017 0.000 0.984 306 Q CA 1.250 57.070 55.803 0.027 0.000 0.846 306 Q CB -1.403 27.362 28.738 0.046 0.000 0.902 306 Q HN 0.235 nan 8.270 nan 0.000 0.421 307 L N 1.429 122.658 121.223 0.009 0.000 2.093 307 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 307 L C 1.943 178.793 176.870 -0.033 0.000 1.085 307 L CA 1.761 56.588 54.840 -0.022 0.000 0.755 307 L CB -0.426 41.627 42.059 -0.011 0.000 0.904 307 L HN 0.158 nan 8.230 nan 0.000 0.435 308 E N -0.604 119.583 120.200 -0.021 0.000 2.110 308 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 308 E C 1.731 178.292 176.600 -0.065 0.000 0.988 308 E CA 1.176 57.554 56.400 -0.036 0.000 0.804 308 E CB -0.130 29.549 29.700 -0.034 0.000 0.745 308 E HN 0.556 nan 8.360 nan 0.000 0.458 309 N N 0.247 118.923 118.700 -0.040 0.000 2.270 309 N HA -0.086 4.654 4.740 -0.001 0.000 0.181 309 N C 1.853 177.347 175.510 -0.026 0.000 1.016 309 N CA 0.536 53.573 53.050 -0.022 0.000 0.870 309 N CB -0.130 38.386 38.487 0.050 0.000 0.979 309 N HN -0.006 nan 8.380 nan 0.000 0.431 310 V N 1.353 121.265 119.914 -0.004 0.000 2.358 310 V HA -0.151 3.969 4.120 -0.001 0.000 0.246 310 V C 2.296 178.425 176.094 0.058 0.000 1.047 310 V CA 0.947 63.291 62.300 0.073 0.000 1.035 310 V CB -0.423 31.470 31.823 0.116 0.000 0.658 310 V HN 0.188 nan 8.190 nan 0.000 0.452 311 L N 0.193 121.403 121.223 -0.022 0.000 2.046 311 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 311 L C 2.358 179.216 176.870 -0.021 0.000 1.077 311 L CA 1.971 56.795 54.840 -0.025 0.000 0.747 311 L CB -0.741 41.300 42.059 -0.030 0.000 0.896 311 L HN 0.201 nan 8.230 nan 0.000 0.432 312 K N -0.633 119.698 120.400 -0.114 0.000 2.057 312 K HA -0.230 4.090 4.320 -0.001 0.000 0.207 312 K C 2.088 178.635 176.600 -0.089 0.000 1.049 312 K CA 1.600 57.761 56.287 -0.210 0.000 0.931 312 K CB -0.139 31.771 32.500 -0.983 0.000 0.714 312 K HN 0.268 nan 8.250 nan 0.000 0.440 313 E N 0.422 120.620 120.200 -0.003 0.000 2.150 313 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 313 E C 1.673 178.349 176.600 0.127 0.000 0.985 313 E CA 1.468 57.959 56.400 0.152 0.000 0.814 313 E CB -0.070 29.522 29.700 -0.179 0.000 0.752 313 E HN 0.134 nan 8.360 nan 0.000 0.466 314 T N 0.554 115.219 114.554 0.185 0.000 2.777 314 T HA -0.080 4.269 4.350 -0.001 0.000 0.266 314 T C 1.764 176.492 174.700 0.047 0.000 1.040 314 T CA 1.170 63.412 62.100 0.237 0.000 1.141 314 T CB -0.204 68.800 68.868 0.226 0.000 0.868 314 T HN 0.129 nan 8.240 nan 0.000 0.444 315 L N 0.389 121.572 121.223 -0.066 0.000 2.141 315 L HA -0.008 4.331 4.340 -0.001 0.000 0.209 315 L C 2.829 179.478 176.870 -0.368 0.000 1.094 315 L CA 1.112 55.799 54.840 -0.256 0.000 0.763 315 L CB -0.394 41.430 42.059 -0.391 0.000 0.908 315 L HN 0.143 nan 8.230 nan 0.000 0.437 316 R N 0.448 120.778 120.500 -0.283 0.000 2.075 316 R HA -0.134 4.206 4.340 -0.001 0.000 0.232 316 R C 2.233 178.317 176.300 -0.360 0.000 1.126 316 R CA 1.339 57.216 56.100 -0.372 0.000 0.963 316 R CB -0.096 30.148 30.300 -0.093 0.000 0.858 316 R HN 0.308 nan 8.270 nan 0.000 0.435 317 L N -0.647 120.369 121.223 -0.344 0.000 2.179 317 L HA -0.039 4.301 4.340 -0.001 0.000 0.208 317 L C 0.661 177.039 176.870 -0.820 0.000 1.096 317 L CA 0.632 55.136 54.840 -0.560 0.000 0.779 317 L CB 0.045 41.718 42.059 -0.644 0.000 0.922 317 L HN 0.268 nan 8.230 nan 0.000 0.443 318 H N -0.451 118.429 119.070 -0.317 0.000 2.535 318 H HA 0.265 4.821 4.556 -0.001 0.000 0.232 318 H C -2.340 172.793 175.328 -0.324 0.000 1.405 318 H CA -2.030 53.749 56.048 -0.450 0.000 1.224 318 H CB -0.171 29.093 29.762 -0.831 0.000 1.763 318 H HN 0.049 nan 8.280 nan 0.000 0.529 319 P HA 0.028 nan 4.420 nan 0.000 0.266 319 P C -1.754 175.479 177.300 -0.112 0.000 1.215 319 P CA -0.889 62.078 63.100 -0.220 0.000 0.763 319 P CB 1.649 33.201 31.700 -0.246 0.000 0.806 320 P HA -0.094 nan 4.420 nan 0.000 0.218 320 P C 0.430 177.782 177.300 0.086 0.000 1.148 320 P CA 1.288 64.397 63.100 0.016 0.000 0.822 320 P CB 0.391 32.079 31.700 -0.020 0.000 0.784 321 L N 1.168 122.418 121.223 0.046 0.000 2.276 321 L HA 0.327 4.667 4.340 -0.001 0.000 0.286 321 L C 1.889 178.795 176.870 0.060 0.000 1.024 321 L CA -0.622 54.281 54.840 0.104 0.000 0.826 321 L CB 1.334 43.471 42.059 0.129 0.000 1.211 321 L HN -0.142 nan 8.230 nan 0.000 0.422 322 I N 1.116 121.729 120.570 0.072 0.000 3.226 322 I HA 0.267 4.437 4.170 -0.001 0.000 0.277 322 I C 0.578 176.740 176.117 0.075 0.000 1.243 322 I CA 0.735 62.060 61.300 0.041 0.000 1.459 322 I CB 0.581 38.595 38.000 0.025 0.000 1.093 322 I HN 0.443 nan 8.210 nan 0.000 0.453 323 I N 1.414 122.070 120.570 0.144 0.000 2.752 323 I HA 0.452 4.621 4.170 -0.001 0.000 0.295 323 I C -1.764 174.508 176.117 0.259 0.000 1.219 323 I CA -0.858 60.556 61.300 0.189 0.000 1.030 323 I CB 2.506 40.680 38.000 0.289 0.000 1.259 323 I HN -0.019 nan 8.210 nan 0.000 0.423 324 L N 7.144 128.499 121.223 0.220 0.000 2.362 324 L HA 0.586 4.925 4.340 -0.001 0.000 0.275 324 L C -0.672 176.399 176.870 0.335 0.000 0.998 324 L CA -0.662 54.388 54.840 0.349 0.000 0.820 324 L CB 1.872 44.122 42.059 0.318 0.000 1.270 324 L HN 0.489 nan 8.230 nan 0.000 0.415 325 M N 3.103 122.935 119.600 0.387 0.000 2.578 325 M HA 0.648 5.127 4.480 -0.001 0.000 0.321 325 M C -0.538 175.727 176.300 -0.058 0.000 1.182 325 M CA -0.653 54.714 55.300 0.111 0.000 0.965 325 M CB 2.205 34.798 32.600 -0.012 0.000 1.694 325 M HN 0.516 nan 8.290 nan 0.000 0.461 326 R N 0.514 120.978 120.500 -0.061 0.000 2.734 326 R HA 0.721 5.060 4.340 -0.001 0.000 0.271 326 R C -1.682 174.552 176.300 -0.110 0.000 1.021 326 R CA -0.803 55.205 56.100 -0.153 0.000 0.893 326 R CB 1.998 32.157 30.300 -0.235 0.000 1.244 326 R HN 0.507 nan 8.270 nan 0.000 0.464 327 V N 1.313 121.160 119.914 -0.112 0.000 2.378 327 V HA 0.460 4.579 4.120 -0.001 0.000 0.288 327 V C 0.214 176.288 176.094 -0.033 0.000 1.016 327 V CA -1.053 61.213 62.300 -0.057 0.000 0.840 327 V CB 1.496 33.289 31.823 -0.049 0.000 0.994 327 V HN 0.894 nan 8.190 nan 0.000 0.431 328 A N 5.008 127.838 122.820 0.017 0.000 2.520 328 A HA 0.381 4.701 4.320 -0.001 0.000 0.245 328 A C 1.002 178.661 177.584 0.126 0.000 1.072 328 A CA 0.004 52.099 52.037 0.096 0.000 0.761 328 A CB 0.196 19.302 19.000 0.178 0.000 1.004 328 A HN 0.751 nan 8.150 nan 0.000 0.499 329 K N 1.569 122.079 120.400 0.184 0.000 2.358 329 K HA 0.231 4.550 4.320 -0.001 0.000 0.197 329 K C 0.745 177.439 176.600 0.156 0.000 1.025 329 K CA 0.910 57.282 56.287 0.142 0.000 1.104 329 K CB 0.725 33.289 32.500 0.106 0.000 0.855 329 K HN 0.882 nan 8.250 nan 0.000 0.531 330 G N -0.033 108.918 108.800 0.252 0.000 2.619 330 G HA2 0.438 4.397 3.960 -0.001 0.000 0.305 330 G HA3 0.438 4.397 3.960 -0.001 0.000 0.305 330 G C -1.589 173.155 174.900 -0.260 0.000 1.330 330 G CA -0.442 44.619 45.100 -0.066 0.000 0.789 330 G HN -0.020 nan 8.290 nan 0.000 0.487 331 E N -0.709 119.147 120.200 -0.573 0.000 2.174 331 E HA 0.725 5.075 4.350 -0.001 0.000 0.282 331 E C -1.401 174.690 176.600 -0.849 0.000 0.992 331 E CA -0.658 55.449 56.400 -0.489 0.000 0.803 331 E CB 1.021 30.541 29.700 -0.300 0.000 1.090 331 E HN 0.501 nan 8.360 nan 0.000 0.396 332 F N 0.003 119.884 119.950 -0.114 0.000 2.599 332 F HA 0.507 5.033 4.527 -0.001 0.000 0.311 332 F C 0.193 175.846 175.800 -0.245 0.000 1.076 332 F CA -0.980 56.935 58.000 -0.142 0.000 0.937 332 F CB 2.753 41.708 39.000 -0.075 0.000 1.282 332 F HN 0.531 nan 8.300 nan 0.000 0.460 333 E N 1.457 121.604 120.200 -0.089 0.000 2.176 333 E HA 0.684 5.033 4.350 -0.001 0.000 0.267 333 E C -1.920 174.550 176.600 -0.218 0.000 0.893 333 E CA -0.612 55.707 56.400 -0.136 0.000 0.761 333 E CB 1.863 31.504 29.700 -0.098 0.000 1.133 333 E HN 0.487 nan 8.360 nan 0.000 0.409 334 V N 5.691 125.491 119.914 -0.190 0.000 2.380 334 V HA 0.169 4.288 4.120 -0.001 0.000 0.286 334 V C -0.196 175.903 176.094 0.008 0.000 1.015 334 V CA -0.489 61.702 62.300 -0.183 0.000 0.834 334 V CB 1.090 32.730 31.823 -0.305 0.000 1.009 334 V HN 0.952 nan 8.190 nan 0.000 0.428 335 Q N 3.353 123.189 119.800 0.059 0.000 2.487 335 Q HA -0.268 4.072 4.340 -0.001 0.000 0.279 335 Q C 1.300 177.205 176.000 -0.159 0.000 1.228 335 Q CA 0.915 56.733 55.803 0.024 0.000 0.873 335 Q CB -1.349 27.462 28.738 0.123 0.000 1.260 335 Q HN 1.594 nan 8.270 nan 0.000 0.471 336 G N -0.978 107.730 108.800 -0.153 0.000 2.253 336 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.251 336 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.251 336 G C -0.082 174.663 174.900 -0.258 0.000 0.998 336 G CA 0.348 45.313 45.100 -0.225 0.000 0.621 336 G HN 0.536 nan 8.290 nan 0.000 0.524 337 H N 1.747 120.794 119.070 -0.038 0.000 2.690 337 H HA 0.394 4.950 4.556 -0.001 0.000 0.314 337 H C 0.889 176.171 175.328 -0.078 0.000 1.069 337 H CA 0.051 56.074 56.048 -0.041 0.000 1.436 337 H CB 0.760 30.504 29.762 -0.031 0.000 1.462 337 H HN 0.509 nan 8.280 nan 0.000 0.511 338 R N 3.865 124.389 120.500 0.041 0.000 2.234 338 R HA 0.353 4.693 4.340 -0.001 0.000 0.324 338 R C -0.396 175.792 176.300 -0.187 0.000 1.054 338 R CA -0.413 55.613 56.100 -0.123 0.000 0.912 338 R CB 0.088 30.299 30.300 -0.148 0.000 1.030 338 R HN 0.459 nan 8.270 nan 0.000 0.455 339 I N 3.922 124.364 120.570 -0.214 0.000 2.354 339 I HA 0.263 4.432 4.170 -0.001 0.000 0.292 339 I C -0.153 175.843 176.117 -0.203 0.000 0.989 339 I CA -0.973 60.279 61.300 -0.081 0.000 1.188 339 I CB 1.158 39.213 38.000 0.092 0.000 1.342 339 I HN 0.557 nan 8.210 nan 0.000 0.457 340 H N 3.420 122.535 119.070 0.074 0.000 2.567 340 H HA 0.280 4.836 4.556 -0.001 0.000 0.345 340 H C -0.088 175.281 175.328 0.069 0.000 1.169 340 H CA -0.775 55.302 56.048 0.048 0.000 1.227 340 H CB 0.976 30.747 29.762 0.016 0.000 1.607 340 H HN 0.434 nan 8.280 nan 0.000 0.534 341 E N 0.930 121.232 120.200 0.172 0.000 2.437 341 E HA 0.003 4.353 4.350 -0.001 0.000 0.263 341 E C 0.897 177.555 176.600 0.096 0.000 1.030 341 E CA 1.215 57.688 56.400 0.121 0.000 0.934 341 E CB 0.389 30.134 29.700 0.075 0.000 0.943 341 E HN 0.946 nan 8.360 nan 0.000 0.444 342 G N 4.531 113.374 108.800 0.071 0.000 2.284 342 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.247 342 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.247 342 G C 0.116 175.036 174.900 0.034 0.000 1.012 342 G CA 0.325 45.450 45.100 0.043 0.000 0.618 342 G HN 0.639 nan 8.290 nan 0.000 0.521 343 D N 0.827 121.259 120.400 0.054 0.000 2.414 343 D HA 0.359 4.999 4.640 -0.001 0.000 0.242 343 D C 0.907 177.205 176.300 -0.004 0.000 1.129 343 D CA 0.128 54.144 54.000 0.027 0.000 0.885 343 D CB 0.937 41.773 40.800 0.061 0.000 1.198 343 D HN 0.265 nan 8.370 nan 0.000 0.437 344 L N 1.960 123.150 121.223 -0.055 0.000 2.305 344 L HA 0.258 4.597 4.340 -0.001 0.000 0.281 344 L C -0.139 176.682 176.870 -0.082 0.000 1.085 344 L CA -0.580 54.213 54.840 -0.079 0.000 0.813 344 L CB 1.290 43.266 42.059 -0.139 0.000 1.157 344 L HN -0.003 nan 8.230 nan 0.000 0.436 345 V N 2.672 122.570 119.914 -0.026 0.000 2.540 345 V HA 0.803 4.923 4.120 -0.001 0.000 0.302 345 V C -0.050 176.113 176.094 0.114 0.000 1.035 345 V CA -0.529 61.795 62.300 0.039 0.000 0.873 345 V CB 1.635 33.522 31.823 0.107 0.000 0.992 345 V HN 0.883 nan 8.190 nan 0.000 0.428 346 A N 3.279 126.108 122.820 0.014 0.000 2.469 346 A HA 1.040 5.359 4.320 -0.001 0.000 0.299 346 A C -0.497 176.828 177.584 -0.433 0.000 1.098 346 A CA -0.260 51.723 52.037 -0.090 0.000 0.737 346 A CB 2.009 20.992 19.000 -0.029 0.000 1.312 346 A HN 1.460 nan 8.150 nan 0.000 0.414 347 A N -0.046 122.324 122.820 -0.751 0.000 2.423 347 A HA 0.875 5.194 4.320 -0.001 0.000 0.304 347 A C -0.292 177.130 177.584 -0.270 0.000 1.104 347 A CA -0.166 51.411 52.037 -0.766 0.000 0.757 347 A CB 1.545 19.630 19.000 -1.524 0.000 1.313 347 A HN 1.857 nan 8.150 nan 0.000 0.423 348 S N 1.127 116.759 115.700 -0.114 0.000 2.789 348 S HA 0.558 5.027 4.470 -0.001 0.000 0.286 348 S C -2.391 172.214 174.600 0.008 0.000 1.153 348 S CA -1.210 56.982 58.200 -0.014 0.000 1.084 348 S CB 1.314 64.518 63.200 0.006 0.000 1.036 348 S HN 0.310 nan 8.310 nan 0.000 0.484 349 P HA -0.001 nan 4.420 nan 0.000 0.218 349 P C 1.471 178.714 177.300 -0.094 0.000 1.149 349 P CA 1.214 64.285 63.100 -0.048 0.000 0.817 349 P CB 0.141 31.791 31.700 -0.082 0.000 0.785 350 A N -0.381 122.396 122.820 -0.072 0.000 1.883 350 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 350 A C 2.039 179.581 177.584 -0.069 0.000 1.186 350 A CA 1.706 53.689 52.037 -0.090 0.000 0.624 350 A CB -1.435 17.520 19.000 -0.076 0.000 0.822 350 A HN 0.040 nan 8.150 nan 0.000 0.444 351 I N -0.520 120.032 120.570 -0.031 0.000 2.339 351 I HA -0.066 4.104 4.170 -0.001 0.000 0.245 351 I C 2.561 178.696 176.117 0.030 0.000 1.096 351 I CA 1.421 62.720 61.300 -0.001 0.000 1.408 351 I CB -1.610 36.395 38.000 0.010 0.000 1.092 351 I HN 0.194 nan 8.210 nan 0.000 0.423 352 S N 1.587 117.316 115.700 0.048 0.000 2.382 352 S HA -0.143 4.326 4.470 -0.001 0.000 0.228 352 S C 1.618 176.317 174.600 0.164 0.000 1.027 352 S CA 1.141 59.416 58.200 0.124 0.000 0.991 352 S CB -0.341 62.950 63.200 0.151 0.000 0.823 352 S HN 0.434 nan 8.310 nan 0.000 0.469 353 N N 1.103 119.788 118.700 -0.025 0.000 2.519 353 N HA -0.013 4.727 4.740 -0.001 0.000 0.186 353 N C 0.913 176.232 175.510 -0.319 0.000 1.062 353 N CA 0.653 53.537 53.050 -0.277 0.000 0.910 353 N CB -0.040 38.202 38.487 -0.408 0.000 0.958 353 N HN 0.403 nan 8.380 nan 0.000 0.445 354 R N -0.246 120.230 120.500 -0.041 0.000 2.596 354 R HA 0.315 4.655 4.340 -0.001 0.000 0.369 354 R C -0.202 176.160 176.300 0.104 0.000 1.042 354 R CA -0.289 55.798 56.100 -0.021 0.000 1.120 354 R CB 0.671 30.908 30.300 -0.105 0.000 1.353 354 R HN 0.112 nan 8.270 nan 0.000 0.564 355 I N 4.552 125.280 120.570 0.264 0.000 2.664 355 I HA -0.029 4.140 4.170 -0.001 0.000 0.284 355 I C -0.963 175.231 176.117 0.129 0.000 1.154 355 I CA -1.186 60.213 61.300 0.165 0.000 1.402 355 I CB 0.873 38.967 38.000 0.156 0.000 1.395 355 I HN -0.111 nan 8.210 nan 0.000 0.545 356 P HA -0.213 nan 4.420 nan 0.000 0.219 356 P C 1.165 178.456 177.300 -0.015 0.000 1.146 356 P CA 1.263 64.369 63.100 0.010 0.000 0.808 356 P CB 0.332 32.032 31.700 -0.000 0.000 0.779 357 E N 0.217 120.401 120.200 -0.026 0.000 2.208 357 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 357 E C 1.325 177.844 176.600 -0.134 0.000 0.988 357 E CA 1.236 57.603 56.400 -0.056 0.000 0.828 357 E CB -0.493 29.187 29.700 -0.033 0.000 0.763 357 E HN 0.126 nan 8.360 nan 0.000 0.478 358 D N -1.249 119.010 120.400 -0.235 0.000 2.324 358 D HA 0.034 4.673 4.640 -0.001 0.000 0.212 358 D C -0.403 175.405 176.300 -0.820 0.000 0.984 358 D CA 0.501 54.163 54.000 -0.564 0.000 0.885 358 D CB 0.220 40.542 40.800 -0.797 0.000 0.996 358 D HN 0.109 nan 8.370 nan 0.000 0.505 359 F N 0.908 120.846 119.950 -0.020 0.000 2.552 359 F HA 0.366 4.893 4.527 -0.001 0.000 0.369 359 F C -2.351 173.404 175.800 -0.076 0.000 1.112 359 F CA -2.764 55.207 58.000 -0.049 0.000 1.129 359 F CB 1.471 40.454 39.000 -0.028 0.000 1.360 359 F HN -0.380 nan 8.300 nan 0.000 0.473 360 P HA -0.032 nan 4.420 nan 0.000 0.261 360 P C -0.356 176.947 177.300 0.004 0.000 1.173 360 P CA 0.666 63.764 63.100 -0.004 0.000 0.760 360 P CB 0.337 32.019 31.700 -0.029 0.000 0.783 361 D N 3.088 123.486 120.400 -0.003 0.000 2.812 361 D HA -0.143 4.497 4.640 -0.001 0.000 0.237 361 D C -1.219 175.062 176.300 -0.032 0.000 1.162 361 D CA 0.240 54.238 54.000 -0.003 0.000 0.740 361 D CB -0.869 39.938 40.800 0.011 0.000 1.000 361 D HN 0.380 nan 8.370 nan 0.000 0.416 362 P HA -0.185 nan 4.420 nan 0.000 0.221 362 P C 0.974 178.118 177.300 -0.260 0.000 1.145 362 P CA 1.275 64.263 63.100 -0.186 0.000 0.795 362 P CB 0.148 31.694 31.700 -0.258 0.000 0.775 363 H N -1.056 118.026 119.070 0.020 0.000 2.539 363 H HA 0.201 4.756 4.556 -0.001 0.000 0.269 363 H C 0.263 175.617 175.328 0.042 0.000 0.980 363 H CA 0.055 56.111 56.048 0.012 0.000 1.152 363 H CB 0.050 29.824 29.762 0.020 0.000 1.407 363 H HN 0.257 nan 8.280 nan 0.000 0.564 364 D N 0.584 121.056 120.400 0.119 0.000 2.193 364 D HA 0.034 4.674 4.640 -0.001 0.000 0.249 364 D C -0.335 176.027 176.300 0.103 0.000 1.034 364 D CA -0.555 53.523 54.000 0.130 0.000 0.902 364 D CB 1.622 42.478 40.800 0.094 0.000 1.182 364 D HN 0.012 nan 8.370 nan 0.000 0.436 365 F N 2.318 122.247 119.950 -0.035 0.000 2.439 365 F HA 0.213 4.740 4.527 -0.001 0.000 0.356 365 F C -0.478 175.221 175.800 -0.167 0.000 1.161 365 F CA -0.313 57.594 58.000 -0.155 0.000 1.151 365 F CB 0.231 38.975 39.000 -0.426 0.000 1.222 365 F HN -0.051 nan 8.300 nan 0.000 0.558 366 V N 9.414 129.052 119.914 -0.460 0.000 2.380 366 V HA 0.186 4.305 4.120 -0.001 0.000 0.268 366 V C -1.868 173.959 176.094 -0.444 0.000 1.008 366 V CA -1.110 60.967 62.300 -0.371 0.000 0.823 366 V CB 1.069 32.767 31.823 -0.208 0.000 1.053 366 V HN 0.552 nan 8.190 nan 0.000 0.446 367 P HA -0.141 nan 4.420 nan 0.000 0.219 367 P C 1.646 178.862 177.300 -0.141 0.000 1.146 367 P CA 1.490 64.434 63.100 -0.260 0.000 0.808 367 P CB 0.360 31.921 31.700 -0.232 0.000 0.779 368 A N 0.797 123.514 122.820 -0.173 0.000 2.125 368 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 368 A C 2.125 179.583 177.584 -0.210 0.000 1.156 368 A CA 1.184 53.139 52.037 -0.136 0.000 0.671 368 A CB -1.124 17.815 19.000 -0.101 0.000 0.794 368 A HN 0.282 nan 8.150 nan 0.000 0.459 369 R N -2.071 118.204 120.500 -0.375 0.000 2.328 369 R HA -0.070 4.269 4.340 -0.001 0.000 0.207 369 R C 0.586 176.511 176.300 -0.624 0.000 1.056 369 R CA 1.366 57.167 56.100 -0.498 0.000 1.016 369 R CB -0.473 29.473 30.300 -0.592 0.000 0.872 369 R HN 0.509 nan 8.270 nan 0.000 0.471 370 Y N 0.982 121.195 120.300 -0.146 0.000 2.467 370 Y HA 0.323 4.872 4.550 -0.001 0.000 0.250 370 Y C 0.181 175.997 175.900 -0.139 0.000 1.155 370 Y CA -0.849 57.145 58.100 -0.177 0.000 1.249 370 Y CB 0.259 38.596 38.460 -0.206 0.000 1.146 370 Y HN 0.075 nan 8.280 nan 0.000 0.524 371 E N 0.903 121.088 120.200 -0.026 0.000 2.408 371 E HA -0.079 4.271 4.350 -0.001 0.000 0.259 371 E C 1.087 177.662 176.600 -0.042 0.000 1.110 371 E CA -0.240 56.144 56.400 -0.027 0.000 0.929 371 E CB 0.523 30.201 29.700 -0.036 0.000 0.971 371 E HN 0.112 nan 8.360 nan 0.000 0.438 372 Q N 1.558 121.337 119.800 -0.035 0.000 2.182 372 Q HA -0.201 4.138 4.340 -0.001 0.000 0.213 372 Q C -0.794 175.178 176.000 -0.045 0.000 1.000 372 Q CA 2.284 58.064 55.803 -0.039 0.000 0.889 372 Q CB -1.150 27.569 28.738 -0.031 0.000 0.932 372 Q HN 0.412 nan 8.270 nan 0.000 0.415 373 P HA -0.082 nan 4.420 nan 0.000 0.217 373 P C 0.902 178.164 177.300 -0.062 0.000 1.150 373 P CA 1.455 64.526 63.100 -0.049 0.000 0.832 373 P CB -0.062 31.611 31.700 -0.045 0.000 0.787 374 R N -1.577 118.874 120.500 -0.080 0.000 2.142 374 R HA 0.179 4.518 4.340 -0.001 0.000 0.204 374 R C 0.542 176.776 176.300 -0.109 0.000 1.059 374 R CA -0.005 56.034 56.100 -0.102 0.000 1.055 374 R CB -0.325 29.894 30.300 -0.135 0.000 0.976 374 R HN 0.037 nan 8.270 nan 0.000 0.483 375 Q N 1.010 120.747 119.800 -0.105 0.000 2.406 375 Q HA -0.252 4.087 4.340 -0.001 0.000 0.339 375 Q C -0.018 175.915 176.000 -0.112 0.000 1.337 375 Q CA 0.498 56.246 55.803 -0.092 0.000 0.985 375 Q CB -0.927 27.762 28.738 -0.082 0.000 1.216 375 Q HN 0.460 nan 8.270 nan 0.000 0.415 376 E N 0.408 120.518 120.200 -0.150 0.000 2.265 376 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 376 E C 1.502 178.081 176.600 -0.036 0.000 0.996 376 E CA 1.169 57.515 56.400 -0.090 0.000 0.832 376 E CB 0.097 29.756 29.700 -0.068 0.000 0.756 376 E HN 0.621 nan 8.360 nan 0.000 0.491 377 D N 0.738 120.997 120.400 -0.234 0.000 2.123 377 D HA -0.165 4.475 4.640 -0.001 0.000 0.200 377 D C 1.984 178.106 176.300 -0.297 0.000 0.976 377 D CA 0.810 54.365 54.000 -0.742 0.000 0.831 377 D CB -0.507 39.333 40.800 -1.601 0.000 0.974 377 D HN 0.247 nan 8.370 nan 0.000 0.469 378 L N -0.402 120.689 121.223 -0.221 0.000 2.131 378 L HA 0.009 4.349 4.340 -0.001 0.000 0.206 378 L C 2.571 179.377 176.870 -0.107 0.000 1.087 378 L CA 0.307 55.060 54.840 -0.145 0.000 0.767 378 L CB -0.370 41.612 42.059 -0.129 0.000 0.917 378 L HN 0.035 nan 8.230 nan 0.000 0.441 379 L N -0.079 121.089 121.223 -0.092 0.000 2.141 379 L HA -0.021 4.318 4.340 -0.001 0.000 0.209 379 L C 1.010 177.841 176.870 -0.066 0.000 1.094 379 L CA 1.624 56.418 54.840 -0.078 0.000 0.763 379 L CB -0.359 41.650 42.059 -0.085 0.000 0.908 379 L HN 0.231 nan 8.230 nan 0.000 0.437 380 N N 0.747 119.429 118.700 -0.029 0.000 3.301 380 N HA 0.097 4.837 4.740 -0.001 0.000 0.289 380 N C 0.835 176.381 175.510 0.061 0.000 1.343 380 N CA -0.072 52.992 53.050 0.023 0.000 1.136 380 N CB 0.416 38.915 38.487 0.020 0.000 1.402 380 N HN 0.470 nan 8.380 nan 0.000 0.516 381 R N -0.436 119.977 120.500 -0.145 0.000 2.127 381 R HA -0.120 4.219 4.340 -0.001 0.000 0.238 381 R C 0.492 176.501 176.300 -0.485 0.000 1.134 381 R CA 1.184 57.034 56.100 -0.416 0.000 0.975 381 R CB -0.280 29.560 30.300 -0.765 0.000 0.865 381 R HN 0.390 nan 8.270 nan 0.000 0.447 382 W N 1.144 122.534 121.300 0.150 0.000 3.220 382 W HA 0.150 4.809 4.660 -0.001 0.000 0.328 382 W C 1.359 178.004 176.519 0.210 0.000 1.205 382 W CA 0.432 57.880 57.345 0.172 0.000 1.773 382 W CB 0.630 30.208 29.460 0.197 0.000 1.086 382 W HN 0.200 nan 8.180 nan 0.000 0.622 383 T N -5.510 109.274 114.554 0.384 0.000 2.959 383 T HA 0.024 4.374 4.350 -0.001 0.000 0.254 383 T C 0.039 175.027 174.700 0.480 0.000 1.003 383 T CA -0.289 62.055 62.100 0.407 0.000 0.950 383 T CB -0.341 68.750 68.868 0.371 0.000 1.090 383 T HN 0.019 nan 8.240 nan 0.000 0.503 384 W N 4.164 125.661 121.300 0.328 0.000 2.226 384 W HA 0.544 5.204 4.660 -0.001 0.000 0.379 384 W C 0.109 176.656 176.519 0.047 0.000 0.923 384 W CA -1.822 55.647 57.345 0.207 0.000 1.524 384 W CB 0.136 29.749 29.460 0.256 0.000 1.552 384 W HN 0.363 nan 8.180 nan 0.000 0.337 385 I N 4.609 125.049 120.570 -0.216 0.000 3.424 385 I HA 0.337 4.507 4.170 -0.001 0.000 0.339 385 I C -1.467 174.441 176.117 -0.348 0.000 1.549 385 I CA -1.619 59.544 61.300 -0.228 0.000 1.049 385 I CB 0.500 38.452 38.000 -0.080 0.000 1.439 385 I HN 0.010 nan 8.210 nan 0.000 0.500 386 P HA -0.074 nan 4.420 nan 0.000 0.223 386 P C 0.657 177.643 177.300 -0.523 0.000 1.151 386 P CA 1.250 63.943 63.100 -0.678 0.000 0.787 386 P CB 0.017 31.101 31.700 -1.026 0.000 0.788 387 F N -0.170 119.635 119.950 -0.241 0.000 2.735 387 F HA 0.454 4.981 4.527 -0.001 0.000 0.304 387 F C 1.664 177.434 175.800 -0.049 0.000 1.119 387 F CA 0.159 58.108 58.000 -0.085 0.000 1.280 387 F CB -0.084 38.896 39.000 -0.033 0.000 0.994 387 F HN 0.026 nan 8.300 nan 0.000 0.520 388 G N 1.142 109.970 108.800 0.047 0.000 2.645 388 G HA2 0.229 4.189 3.960 -0.001 0.000 0.239 388 G HA3 0.229 4.189 3.960 -0.001 0.000 0.239 388 G C -0.469 174.196 174.900 -0.391 0.000 1.331 388 G CA -0.280 44.760 45.100 -0.100 0.000 0.890 388 G HN 1.045 nan 8.290 nan 0.000 0.572 389 A N -2.735 119.751 122.820 -0.557 0.000 2.540 389 A HA 1.082 5.402 4.320 -0.001 0.000 0.291 389 A C 1.400 179.049 177.584 0.107 0.000 1.083 389 A CA 1.236 53.078 52.037 -0.325 0.000 0.650 389 A CB 0.457 19.167 19.000 -0.483 0.000 1.292 389 A HN 3.129 nan 8.150 nan 0.000 0.435 390 G N 0.432 109.366 108.800 0.224 0.000 2.634 390 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.309 390 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.309 390 G C 0.740 175.744 174.900 0.173 0.000 1.265 390 G CA 0.773 46.102 45.100 0.382 0.000 0.998 390 G HN 1.125 nan 8.290 nan 0.000 0.551 391 R N 1.162 121.714 120.500 0.086 0.000 2.316 391 R HA 0.012 4.351 4.340 -0.001 0.000 0.202 391 R C 0.840 176.932 176.300 -0.346 0.000 1.029 391 R CA 1.068 57.064 56.100 -0.174 0.000 1.018 391 R CB -0.170 29.934 30.300 -0.327 0.000 0.888 391 R HN 0.675 nan 8.270 nan 0.000 0.471 392 H N -0.055 119.141 119.070 0.210 0.000 2.528 392 H HA 0.180 4.736 4.556 -0.001 0.000 0.256 392 H C -0.100 175.346 175.328 0.196 0.000 1.204 392 H CA -0.671 55.512 56.048 0.224 0.000 0.955 392 H CB 0.278 30.240 29.762 0.333 0.000 1.817 392 H HN -0.144 nan 8.280 nan 0.000 0.579 393 R N 1.122 121.722 120.500 0.167 0.000 2.537 393 R HA 0.031 4.370 4.340 -0.001 0.000 0.280 393 R C -0.248 176.119 176.300 0.112 0.000 1.058 393 R CA -0.198 55.965 56.100 0.104 0.000 1.057 393 R CB -0.158 30.165 30.300 0.038 0.000 0.973 393 R HN 0.349 nan 8.270 nan 0.000 0.438 394 C N 6.535 125.906 119.300 0.118 0.000 2.648 394 C HA 0.093 4.552 4.460 -0.001 0.000 0.406 394 C C 2.035 177.032 174.990 0.011 0.000 1.406 394 C CA 0.009 59.092 59.018 0.107 0.000 1.610 394 C CB -1.328 26.516 27.740 0.172 0.000 2.451 394 C HN 0.750 nan 8.230 nan 0.000 0.608 395 V N 4.508 124.446 119.914 0.039 0.000 3.217 395 V HA 0.223 4.342 4.120 -0.001 0.000 0.264 395 V C 1.674 177.766 176.094 -0.002 0.000 1.135 395 V CA 1.891 64.197 62.300 0.009 0.000 1.142 395 V CB -0.764 31.072 31.823 0.023 0.000 0.754 395 V HN 0.976 nan 8.190 nan 0.000 0.484 396 G N -0.930 107.879 108.800 0.016 0.000 3.126 396 G HA2 0.375 4.335 3.960 -0.001 0.000 0.224 396 G HA3 0.375 4.335 3.960 -0.001 0.000 0.224 396 G C 1.410 176.323 174.900 0.022 0.000 1.142 396 G CA 0.563 45.695 45.100 0.052 0.000 0.759 396 G HN 0.702 nan 8.290 nan 0.000 0.550 397 A N 1.411 124.108 122.820 -0.205 0.000 1.908 397 A HA 0.181 4.500 4.320 -0.001 0.000 0.218 397 A C 2.770 180.163 177.584 -0.318 0.000 1.181 397 A CA 2.219 53.881 52.037 -0.624 0.000 0.627 397 A CB -0.707 17.587 19.000 -1.178 0.000 0.818 397 A HN 0.703 nan 8.150 nan 0.000 0.445 398 A N -1.210 121.514 122.820 -0.160 0.000 1.908 398 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 398 A C 2.083 179.681 177.584 0.024 0.000 1.181 398 A CA 1.729 53.728 52.037 -0.063 0.000 0.627 398 A CB -0.744 18.243 19.000 -0.022 0.000 0.818 398 A HN 0.744 nan 8.150 nan 0.000 0.445 399 F N 0.902 120.820 119.950 -0.053 0.000 2.146 399 F HA -0.018 4.508 4.527 -0.001 0.000 0.298 399 F C 2.492 178.292 175.800 -0.001 0.000 1.096 399 F CA 1.219 59.211 58.000 -0.013 0.000 1.275 399 F CB -0.433 38.557 39.000 -0.017 0.000 1.008 399 F HN 0.241 nan 8.300 nan 0.000 0.480 400 A N 0.698 123.553 122.820 0.058 0.000 1.902 400 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 400 A C 2.295 179.865 177.584 -0.024 0.000 1.181 400 A CA 1.949 53.995 52.037 0.015 0.000 0.623 400 A CB -1.193 17.938 19.000 0.217 0.000 0.818 400 A HN 0.510 nan 8.150 nan 0.000 0.443 401 I N -0.778 119.789 120.570 -0.004 0.000 2.252 401 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 401 I C 2.723 178.817 176.117 -0.037 0.000 1.102 401 I CA 1.474 62.781 61.300 0.012 0.000 1.385 401 I CB -0.292 37.708 38.000 0.001 0.000 1.064 401 I HN 0.403 nan 8.210 nan 0.000 0.414 402 M N 0.783 120.329 119.600 -0.089 0.000 2.159 402 M HA -0.274 4.206 4.480 -0.001 0.000 0.263 402 M C 2.275 178.493 176.300 -0.137 0.000 1.063 402 M CA 1.934 57.176 55.300 -0.096 0.000 1.110 402 M CB -0.743 31.796 32.600 -0.102 0.000 1.374 402 M HN 0.309 nan 8.290 nan 0.000 0.411 403 Q N -0.022 119.610 119.800 -0.279 0.000 2.084 403 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 403 Q C 1.964 177.921 176.000 -0.072 0.000 0.978 403 Q CA 1.616 57.256 55.803 -0.271 0.000 0.844 403 Q CB -0.040 28.431 28.738 -0.444 0.000 0.898 403 Q HN 0.498 nan 8.270 nan 0.000 0.426 404 I N 1.107 121.676 120.570 -0.001 0.000 2.226 404 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 404 I C 2.114 178.371 176.117 0.232 0.000 1.100 404 I CA 1.565 62.960 61.300 0.159 0.000 1.374 404 I CB -0.850 37.217 38.000 0.112 0.000 1.057 404 I HN 0.275 nan 8.210 nan 0.000 0.413 405 K N 0.708 121.179 120.400 0.119 0.000 2.057 405 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 405 K C 2.209 178.903 176.600 0.156 0.000 1.049 405 K CA 1.588 57.958 56.287 0.139 0.000 0.931 405 K CB -0.169 32.384 32.500 0.088 0.000 0.714 405 K HN 0.289 nan 8.250 nan 0.000 0.440 406 A N 1.442 124.317 122.820 0.092 0.000 1.873 406 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 406 A C 2.127 179.736 177.584 0.043 0.000 1.186 406 A CA 1.154 53.236 52.037 0.076 0.000 0.616 406 A CB -0.533 18.482 19.000 0.026 0.000 0.823 406 A HN 0.149 nan 8.150 nan 0.000 0.442 407 I N -1.688 118.887 120.570 0.009 0.000 2.127 407 I HA -0.264 3.906 4.170 -0.001 0.000 0.241 407 I C 2.180 178.183 176.117 -0.189 0.000 1.075 407 I CA 1.593 62.830 61.300 -0.106 0.000 1.334 407 I CB -0.406 37.484 38.000 -0.183 0.000 1.040 407 I HN 0.318 nan 8.210 nan 0.000 0.405 408 F N 0.321 120.295 119.950 0.039 0.000 2.407 408 F HA -0.102 4.424 4.527 -0.001 0.000 0.299 408 F C 2.680 178.500 175.800 0.034 0.000 1.097 408 F CA 0.755 58.775 58.000 0.032 0.000 1.422 408 F CB -0.530 38.465 39.000 -0.009 0.000 1.067 408 F HN -0.065 nan 8.300 nan 0.000 0.539 409 S N -0.267 115.525 115.700 0.153 0.000 2.399 409 S HA -0.117 4.353 4.470 -0.001 0.000 0.231 409 S C 2.202 176.751 174.600 -0.085 0.000 1.022 409 S CA 1.113 59.339 58.200 0.044 0.000 0.983 409 S CB -0.275 62.985 63.200 0.099 0.000 0.803 409 S HN 0.139 nan 8.310 nan 0.000 0.480 410 V N 1.679 121.565 119.914 -0.046 0.000 2.300 410 V HA -0.011 4.109 4.120 -0.001 0.000 0.241 410 V C 2.154 178.254 176.094 0.009 0.000 1.034 410 V CA 1.138 63.402 62.300 -0.060 0.000 1.021 410 V CB -0.692 31.092 31.823 -0.065 0.000 0.662 410 V HN 0.379 nan 8.190 nan 0.000 0.458 411 L N -0.215 121.024 121.223 0.026 0.000 1.989 411 L HA -0.210 4.129 4.340 -0.001 0.000 0.211 411 L C 2.410 179.516 176.870 0.393 0.000 1.071 411 L CA 1.722 56.672 54.840 0.183 0.000 0.749 411 L CB -0.631 41.452 42.059 0.040 0.000 0.890 411 L HN 0.304 nan 8.230 nan 0.000 0.431 412 L N -0.919 120.496 121.223 0.320 0.000 2.291 412 L HA -0.123 4.216 4.340 -0.001 0.000 0.214 412 L C 2.627 179.643 176.870 0.244 0.000 1.120 412 L CA 0.837 55.894 54.840 0.362 0.000 0.799 412 L CB -0.439 41.785 42.059 0.275 0.000 0.925 412 L HN 0.239 nan 8.230 nan 0.000 0.446 413 R N -0.537 120.037 120.500 0.123 0.000 2.173 413 R HA -0.025 4.315 4.340 -0.001 0.000 0.208 413 R C 1.932 178.233 176.300 0.002 0.000 1.035 413 R CA 0.438 56.560 56.100 0.037 0.000 1.004 413 R CB 0.217 30.474 30.300 -0.073 0.000 0.917 413 R HN 0.298 nan 8.270 nan 0.000 0.462 414 E N -0.536 119.674 120.200 0.016 0.000 2.140 414 E HA 0.035 4.384 4.350 -0.001 0.000 0.191 414 E C -0.085 176.321 176.600 -0.324 0.000 0.973 414 E CA 0.960 57.281 56.400 -0.132 0.000 0.829 414 E CB 0.285 29.955 29.700 -0.050 0.000 0.781 414 E HN 0.155 nan 8.360 nan 0.000 0.466 415 Y N 0.228 120.554 120.300 0.044 0.000 2.576 415 Y HA 0.331 4.881 4.550 -0.000 0.000 0.346 415 Y C 0.077 175.917 175.900 -0.101 0.000 1.018 415 Y CA -0.949 57.102 58.100 -0.081 0.000 1.050 415 Y CB 1.615 39.925 38.460 -0.251 0.000 1.280 415 Y HN -0.276 nan 8.280 nan 0.000 0.474 416 E N 1.657 121.847 120.200 -0.016 0.000 2.179 416 E HA 0.460 4.810 4.350 -0.001 0.000 0.275 416 E C -1.675 174.841 176.600 -0.140 0.000 0.945 416 E CA -0.615 55.821 56.400 0.059 0.000 0.792 416 E CB 1.554 31.268 29.700 0.024 0.000 1.125 416 E HN 0.314 nan 8.360 nan 0.000 0.397 417 F N 1.363 121.510 119.950 0.329 0.000 2.508 417 F HA 0.400 4.926 4.527 -0.001 0.000 0.325 417 F C 0.507 176.402 175.800 0.158 0.000 1.090 417 F CA -0.782 57.368 58.000 0.251 0.000 0.945 417 F CB 1.644 40.819 39.000 0.291 0.000 1.156 417 F HN 0.174 nan 8.300 nan 0.000 0.463 418 E N 2.344 122.692 120.200 0.247 0.000 2.340 418 E HA 0.391 4.741 4.350 -0.001 0.000 0.273 418 E C -0.956 175.718 176.600 0.123 0.000 0.891 418 E CA -0.823 55.656 56.400 0.131 0.000 0.757 418 E CB 2.824 32.549 29.700 0.042 0.000 1.231 418 E HN 0.576 nan 8.360 nan 0.000 0.439 419 M N 1.116 120.781 119.600 0.108 0.000 2.228 419 M HA 0.217 4.696 4.480 -0.001 0.000 0.351 419 M C 0.801 177.172 176.300 0.119 0.000 1.233 419 M CA 0.124 55.521 55.300 0.162 0.000 1.129 419 M CB 0.823 33.545 32.600 0.203 0.000 1.604 419 M HN 0.632 nan 8.290 nan 0.000 0.457 420 A N 3.098 125.991 122.820 0.122 0.000 2.387 420 A HA 0.159 4.478 4.320 -0.001 0.000 0.234 420 A C 0.214 177.792 177.584 -0.011 0.000 1.253 420 A CA -0.005 52.047 52.037 0.026 0.000 0.894 420 A CB 0.103 19.097 19.000 -0.010 0.000 0.963 420 A HN 0.850 nan 8.150 nan 0.000 0.508 421 Q N -1.358 118.440 119.800 -0.003 0.000 2.565 421 Q HA 0.544 4.883 4.340 -0.001 0.000 0.294 421 Q C -3.189 172.783 176.000 -0.047 0.000 1.005 421 Q CA -2.397 53.346 55.803 -0.100 0.000 0.771 421 Q CB 0.598 29.172 28.738 -0.272 0.000 1.486 421 Q HN -0.063 nan 8.270 nan 0.000 0.422 422 P HA 0.041 nan 4.420 nan 0.000 0.262 422 P C -2.113 175.223 177.300 0.061 0.000 1.182 422 P CA -0.599 62.498 63.100 -0.006 0.000 0.761 422 P CB 0.211 31.895 31.700 -0.027 0.000 0.795 423 P HA -0.212 nan 4.420 nan 0.000 0.217 423 P C 0.718 178.169 177.300 0.252 0.000 1.151 423 P CA 1.577 64.815 63.100 0.230 0.000 0.849 423 P CB -0.012 31.743 31.700 0.091 0.000 0.787 424 E N -0.929 119.354 120.200 0.137 0.000 2.482 424 E HA -0.051 4.298 4.350 -0.001 0.000 0.196 424 E C 1.730 178.394 176.600 0.106 0.000 1.047 424 E CA 0.814 57.292 56.400 0.129 0.000 0.869 424 E CB -0.801 28.946 29.700 0.079 0.000 0.836 424 E HN 0.343 nan 8.360 nan 0.000 0.520 425 S N -0.704 115.012 115.700 0.026 0.000 2.558 425 S HA -0.004 4.465 4.470 -0.001 0.000 0.217 425 S C 0.239 174.761 174.600 -0.130 0.000 0.975 425 S CA -0.345 57.806 58.200 -0.082 0.000 0.912 425 S CB -0.340 62.750 63.200 -0.184 0.000 0.776 425 S HN 0.123 nan 8.310 nan 0.000 0.526 426 Y N 3.780 124.091 120.300 0.019 0.000 2.402 426 Y HA 0.487 5.036 4.550 -0.001 0.000 0.333 426 Y C 0.914 176.902 175.900 0.147 0.000 1.076 426 Y CA -0.444 57.632 58.100 -0.040 0.000 1.299 426 Y CB 0.588 38.932 38.460 -0.194 0.000 1.197 426 Y HN 0.363 nan 8.280 nan 0.000 0.517 427 R N 1.160 121.819 120.500 0.265 0.000 2.734 427 R HA 0.521 4.861 4.340 -0.001 0.000 0.271 427 R C -1.663 174.841 176.300 0.340 0.000 1.021 427 R CA -1.129 55.209 56.100 0.398 0.000 0.893 427 R CB 1.102 31.537 30.300 0.225 0.000 1.244 427 R HN 0.373 nan 8.270 nan 0.000 0.464 428 N N 0.444 119.329 118.700 0.308 0.000 2.492 428 N HA 0.159 4.899 4.740 -0.001 0.000 0.289 428 N C -1.410 173.971 175.510 -0.215 0.000 1.133 428 N CA -0.274 52.793 53.050 0.028 0.000 0.961 428 N CB 1.280 39.651 38.487 -0.193 0.000 1.186 428 N HN 0.556 nan 8.380 nan 0.000 0.493 429 D N 0.202 120.461 120.400 -0.234 0.000 2.329 429 D HA 0.143 4.783 4.640 -0.001 0.000 0.232 429 D C -0.418 175.694 176.300 -0.314 0.000 1.088 429 D CA -0.118 53.776 54.000 -0.176 0.000 0.835 429 D CB 0.258 41.016 40.800 -0.071 0.000 1.078 429 D HN 0.469 nan 8.370 nan 0.000 0.495 430 H N 0.903 119.946 119.070 -0.045 0.000 2.487 430 H HA 0.113 4.668 4.556 -0.001 0.000 0.290 430 H C 1.655 176.890 175.328 -0.154 0.000 1.081 430 H CA 0.097 56.081 56.048 -0.106 0.000 1.116 430 H CB 0.594 30.281 29.762 -0.126 0.000 1.560 430 H HN 0.298 nan 8.280 nan 0.000 0.548 431 S N -0.299 115.371 115.700 -0.049 0.000 2.489 431 S HA 0.032 4.501 4.470 -0.001 0.000 0.228 431 S C 0.841 175.375 174.600 -0.109 0.000 0.995 431 S CA 0.149 58.304 58.200 -0.076 0.000 0.934 431 S CB 0.315 63.481 63.200 -0.056 0.000 0.771 431 S HN 0.045 nan 8.310 nan 0.000 0.522 432 K N 0.331 120.654 120.400 -0.128 0.000 2.281 432 K HA 0.454 4.773 4.320 -0.001 0.000 0.242 432 K C 0.777 177.249 176.600 -0.213 0.000 0.971 432 K CA -0.955 55.237 56.287 -0.159 0.000 0.834 432 K CB 0.835 33.247 32.500 -0.147 0.000 1.181 432 K HN 0.008 nan 8.250 nan 0.000 0.435 433 M N 0.253 119.668 119.600 -0.308 0.000 2.202 433 M HA -0.044 4.435 4.480 -0.001 0.000 0.262 433 M C 0.686 176.826 176.300 -0.267 0.000 1.063 433 M CA 1.089 56.172 55.300 -0.362 0.000 1.097 433 M CB -0.380 31.682 32.600 -0.896 0.000 1.382 433 M HN 0.154 nan 8.290 nan 0.000 0.413 434 V N 2.060 121.800 119.914 -0.290 0.000 2.372 434 V HA 0.108 4.228 4.120 -0.001 0.000 0.261 434 V C 0.215 176.166 176.094 -0.238 0.000 1.055 434 V CA -0.629 61.454 62.300 -0.362 0.000 0.930 434 V CB 0.869 32.435 31.823 -0.428 0.000 1.031 434 V HN -0.076 nan 8.190 nan 0.000 0.479 435 V N 6.666 126.492 119.914 -0.146 0.000 2.572 435 V HA 0.252 4.371 4.120 -0.001 0.000 0.291 435 V C 0.234 176.313 176.094 -0.026 0.000 1.039 435 V CA -0.003 62.248 62.300 -0.083 0.000 1.055 435 V CB 0.921 32.732 31.823 -0.020 0.000 0.969 435 V HN 0.925 nan 8.190 nan 0.000 0.482 436 Q N 2.607 122.388 119.800 -0.032 0.000 2.456 436 Q HA 0.513 4.853 4.340 -0.001 0.000 0.283 436 Q C -1.200 174.831 176.000 0.053 0.000 1.084 436 Q CA -1.202 54.632 55.803 0.052 0.000 0.801 436 Q CB 2.760 31.552 28.738 0.091 0.000 1.434 436 Q HN 0.556 nan 8.270 nan 0.000 0.419 437 L N 1.581 122.858 121.223 0.090 0.000 2.490 437 L HA 0.342 4.682 4.340 -0.001 0.000 0.274 437 L C -0.536 176.356 176.870 0.037 0.000 1.201 437 L CA 0.635 55.513 54.840 0.063 0.000 0.869 437 L CB 0.602 42.645 42.059 -0.027 0.000 1.123 437 L HN 0.784 nan 8.230 nan 0.000 0.484 438 A N 5.013 127.849 122.820 0.028 0.000 2.286 438 A HA 0.575 4.894 4.320 -0.001 0.000 0.286 438 A C -0.406 177.174 177.584 -0.007 0.000 1.097 438 A CA -0.437 51.607 52.037 0.012 0.000 0.821 438 A CB 0.422 19.429 19.000 0.011 0.000 1.076 438 A HN 0.787 nan 8.150 nan 0.000 0.490 439 Q N 0.790 120.582 119.800 -0.013 0.000 2.301 439 Q HA 0.502 4.842 4.340 -0.001 0.000 0.267 439 Q C -2.225 173.744 176.000 -0.051 0.000 1.035 439 Q CA -1.755 54.029 55.803 -0.032 0.000 0.856 439 Q CB 1.335 30.061 28.738 -0.019 0.000 1.337 439 Q HN 0.716 nan 8.270 nan 0.000 0.450 440 P HA 0.294 nan 4.420 nan 0.000 0.274 440 P C -1.381 175.836 177.300 -0.139 0.000 1.237 440 P CA -0.413 62.629 63.100 -0.096 0.000 0.793 440 P CB 0.893 32.527 31.700 -0.110 0.000 0.977 441 A N 0.539 123.312 122.820 -0.078 0.000 3.415 441 A HA 0.567 4.887 4.320 -0.001 0.000 0.244 441 A C 0.094 177.746 177.584 0.113 0.000 0.988 441 A CA -0.390 51.663 52.037 0.026 0.000 0.991 441 A CB -0.260 18.777 19.000 0.063 0.000 1.240 441 A HN 0.698 nan 8.150 nan 0.000 0.541 442 A N 0.387 123.227 122.820 0.034 0.000 2.366 442 A HA 0.693 5.013 4.320 -0.001 0.000 0.272 442 A C -0.224 177.433 177.584 0.123 0.000 1.135 442 A CA -0.099 51.961 52.037 0.039 0.000 0.804 442 A CB 0.537 19.517 19.000 -0.033 0.000 1.064 442 A HN 0.961 nan 8.150 nan 0.000 0.499 443 V N 3.559 123.514 119.914 0.067 0.000 2.841 443 V HA 0.489 4.608 4.120 -0.001 0.000 0.310 443 V C -0.118 175.982 176.094 0.010 0.000 1.090 443 V CA -0.796 61.559 62.300 0.092 0.000 0.930 443 V CB 2.054 33.953 31.823 0.127 0.000 1.014 443 V HN 1.009 nan 8.190 nan 0.000 0.425 444 R N 2.532 123.031 120.500 -0.001 0.000 2.604 444 R HA 0.687 5.027 4.340 -0.001 0.000 0.287 444 R C -1.469 174.747 176.300 -0.140 0.000 0.970 444 R CA -0.596 55.404 56.100 -0.167 0.000 0.946 444 R CB 2.124 32.319 30.300 -0.176 0.000 1.127 444 R HN 0.801 nan 8.270 nan 0.000 0.473 445 Y N -1.090 119.018 120.300 -0.321 0.000 2.570 445 Y HA 0.724 5.273 4.550 -0.001 0.000 0.345 445 Y C -0.777 174.992 175.900 -0.219 0.000 1.014 445 Y CA -1.511 56.321 58.100 -0.446 0.000 1.063 445 Y CB 1.677 39.636 38.460 -0.835 0.000 1.272 445 Y HN 0.551 nan 8.280 nan 0.000 0.477 446 R N 1.968 122.562 120.500 0.157 0.000 2.566 446 R HA 0.438 4.778 4.340 -0.001 0.000 0.271 446 R C -1.271 175.172 176.300 0.237 0.000 1.071 446 R CA -0.826 55.385 56.100 0.184 0.000 0.915 446 R CB 1.663 31.965 30.300 0.004 0.000 1.228 446 R HN 0.995 nan 8.270 nan 0.000 0.449 447 R N 2.774 123.354 120.500 0.134 0.000 2.640 447 R HA 0.081 4.420 4.340 -0.001 0.000 0.270 447 R C 0.130 176.340 176.300 -0.150 0.000 1.024 447 R CA 0.372 56.319 56.100 -0.255 0.000 1.085 447 R CB 0.523 30.679 30.300 -0.240 0.000 0.963 447 R HN 0.439 nan 8.270 nan 0.000 0.426 448 R N 0.704 121.090 120.500 -0.191 0.000 2.583 448 R HA 0.443 4.782 4.340 -0.001 0.000 0.268 448 R C 0.349 176.601 176.300 -0.080 0.000 1.101 448 R CA 0.520 56.566 56.100 -0.089 0.000 1.180 448 R CB 0.982 31.248 30.300 -0.056 0.000 1.128 448 R HN 0.826 nan 8.270 nan 0.000 0.568 449 T N 0.000 114.526 114.554 -0.047 0.000 3.816 449 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 449 T CA 0.000 nan 62.100 nan 0.000 1.349 449 T CB 0.000 nan 68.868 nan 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658