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 1upb_1_B DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGMTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP MSKYAVELQR PHEITDLVDS AVNAAMTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXPNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY MDGILNFPAL QTMFAPVDLV LTVGYDYAED LRPSMWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG MRVHQVIDSM NTVMEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQMA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.251 177.300 -0.081 0.000 1.155 12 P CA 0.000 63.011 63.100 -0.148 0.000 0.800 12 P CB 0.000 31.553 31.700 -0.245 0.000 0.726 13 T N -2.211 112.333 114.554 -0.017 0.000 2.889 13 T HA 0.729 5.078 4.350 -0.001 0.000 0.278 13 T C 1.278 176.010 174.700 0.053 0.000 0.995 13 T CA -0.123 61.985 62.100 0.014 0.000 0.966 13 T CB 1.335 70.208 68.868 0.008 0.000 1.237 13 T HN 0.203 nan 8.240 nan 0.000 0.591 14 A N 0.136 122.985 122.820 0.048 0.000 2.024 14 A HA 0.163 4.483 4.320 -0.001 0.000 0.220 14 A C 2.556 180.176 177.584 0.059 0.000 1.164 14 A CA 2.008 54.081 52.037 0.059 0.000 0.643 14 A CB -1.621 17.408 19.000 0.049 0.000 0.806 14 A HN 1.221 nan 8.150 nan 0.000 0.451 15 A N -0.829 122.013 122.820 0.036 0.000 1.877 15 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 15 A C 2.002 179.583 177.584 -0.004 0.000 1.186 15 A CA 2.043 54.073 52.037 -0.012 0.000 0.620 15 A CB -0.910 18.037 19.000 -0.089 0.000 0.822 15 A HN 0.817 nan 8.150 nan 0.000 0.443 16 H N -0.459 118.577 119.070 -0.057 0.000 2.321 16 H HA 0.032 4.587 4.556 -0.001 0.000 0.300 16 H C 2.185 177.503 175.328 -0.017 0.000 1.087 16 H CA 1.883 57.905 56.048 -0.044 0.000 1.319 16 H CB -0.154 29.586 29.762 -0.037 0.000 1.379 16 H HN 0.407 nan 8.280 nan 0.000 0.501 17 A N 0.611 123.547 122.820 0.194 0.000 1.972 17 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 17 A C 2.315 179.930 177.584 0.051 0.000 1.169 17 A CA 1.507 53.622 52.037 0.129 0.000 0.635 17 A CB -0.750 18.316 19.000 0.109 0.000 0.810 17 A HN 0.508 nan 8.150 nan 0.000 0.446 18 L N -0.360 120.893 121.223 0.049 0.000 2.005 18 L HA -0.039 4.300 4.340 -0.001 0.000 0.207 18 L C 2.240 179.139 176.870 0.048 0.000 1.072 18 L CA 1.733 56.611 54.840 0.064 0.000 0.744 18 L CB -0.662 41.464 42.059 0.112 0.000 0.895 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -0.833 120.389 121.223 -0.002 0.000 2.093 19 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 19 L C 2.734 179.566 176.870 -0.063 0.000 1.085 19 L CA 1.390 56.219 54.840 -0.018 0.000 0.755 19 L CB -0.724 41.289 42.059 -0.076 0.000 0.904 19 L HN 0.479 nan 8.230 nan 0.000 0.435 20 S N -0.046 115.576 115.700 -0.130 0.000 2.382 20 S HA -0.226 4.244 4.470 -0.001 0.000 0.228 20 S C 2.213 176.769 174.600 -0.072 0.000 1.027 20 S CA 1.171 59.295 58.200 -0.128 0.000 0.991 20 S CB -0.100 63.008 63.200 -0.154 0.000 0.823 20 S HN 0.238 nan 8.310 nan 0.000 0.469 21 R N 0.969 121.438 120.500 -0.051 0.000 2.115 21 R HA 0.260 4.600 4.340 -0.001 0.000 0.226 21 R C 2.205 178.449 176.300 -0.093 0.000 1.100 21 R CA 1.237 57.283 56.100 -0.089 0.000 0.980 21 R CB -1.047 29.224 30.300 -0.048 0.000 0.875 21 R HN 0.530 nan 8.270 nan 0.000 0.445 22 L N -0.214 121.013 121.223 0.008 0.000 2.046 22 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 22 L C 2.671 179.564 176.870 0.039 0.000 1.077 22 L CA 1.592 56.475 54.840 0.071 0.000 0.747 22 L CB -0.427 41.696 42.059 0.107 0.000 0.896 22 L HN 0.211 nan 8.230 nan 0.000 0.432 23 R N 0.172 120.670 120.500 -0.004 0.000 2.096 23 R HA -0.178 4.161 4.340 -0.001 0.000 0.235 23 R C 1.774 178.056 176.300 -0.030 0.000 1.127 23 R CA 1.665 57.757 56.100 -0.013 0.000 0.968 23 R CB -0.130 30.151 30.300 -0.032 0.000 0.861 23 R HN 0.347 nan 8.270 nan 0.000 0.440 24 D N -0.342 120.004 120.400 -0.089 0.000 2.182 24 D HA -0.156 4.484 4.640 -0.001 0.000 0.201 24 D C 1.051 177.278 176.300 -0.120 0.000 0.986 24 D CA 1.173 55.089 54.000 -0.140 0.000 0.847 24 D CB -0.229 40.426 40.800 -0.242 0.000 0.942 24 D HN 0.361 nan 8.370 nan 0.000 0.467 25 H N -0.755 118.321 119.070 0.010 0.000 2.555 25 H HA 0.316 4.872 4.556 -0.001 0.000 0.283 25 H C 1.503 176.839 175.328 0.013 0.000 1.037 25 H CA 0.571 56.625 56.048 0.010 0.000 1.169 25 H CB 0.162 29.930 29.762 0.010 0.000 1.375 25 H HN 0.186 nan 8.280 nan 0.000 0.582 26 G N 0.482 109.340 108.800 0.097 0.000 2.159 26 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.256 26 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.256 26 G C 0.288 175.221 174.900 0.056 0.000 0.977 26 G CA 0.332 45.470 45.100 0.064 0.000 0.652 26 G HN 0.263 nan 8.290 nan 0.000 0.531 27 V N 0.806 120.759 119.914 0.066 0.000 2.508 27 V HA 0.541 4.661 4.120 -0.001 0.000 0.281 27 V C 1.584 177.692 176.094 0.023 0.000 1.041 27 V CA 1.064 63.397 62.300 0.055 0.000 1.016 27 V CB 1.243 33.114 31.823 0.080 0.000 0.984 27 V HN 0.564 nan 8.190 nan 0.000 0.478 28 G N 4.630 113.431 108.800 0.003 0.000 2.850 28 G HA2 0.161 4.120 3.960 -0.001 0.000 0.211 28 G HA3 0.161 4.120 3.960 -0.001 0.000 0.211 28 G C 0.489 175.341 174.900 -0.079 0.000 1.124 28 G CA -0.083 45.001 45.100 -0.027 0.000 0.769 28 G HN 0.493 nan 8.290 nan 0.000 0.535 29 K N 0.599 120.928 120.400 -0.119 0.000 2.422 29 K HA 0.593 4.913 4.320 -0.001 0.000 0.251 29 K C -1.527 174.900 176.600 -0.288 0.000 0.933 29 K CA -0.632 55.475 56.287 -0.300 0.000 0.798 29 K CB 2.977 35.156 32.500 -0.534 0.000 1.238 29 K HN -0.122 nan 8.250 nan 0.000 0.428 30 V N 3.489 123.166 119.914 -0.396 0.000 2.350 30 V HA 0.388 4.507 4.120 -0.001 0.000 0.285 30 V C -0.621 175.018 176.094 -0.758 0.000 1.014 30 V CA -0.844 61.258 62.300 -0.330 0.000 0.831 30 V CB 0.314 32.067 31.823 -0.116 0.000 1.000 30 V HN 0.515 nan 8.190 nan 0.000 0.433 31 F N 3.209 122.925 119.950 -0.391 0.000 2.412 31 F HA 0.792 5.319 4.527 -0.001 0.000 0.348 31 F C 1.063 176.615 175.800 -0.413 0.000 1.102 31 F CA 0.562 58.287 58.000 -0.459 0.000 1.196 31 F CB 1.571 40.426 39.000 -0.242 0.000 1.144 31 F HN 0.710 nan 8.300 nan 0.000 0.541 32 G N 1.001 109.593 108.800 -0.348 0.000 2.321 32 G HA2 0.458 4.417 3.960 -0.001 0.000 0.296 32 G HA3 0.458 4.417 3.960 -0.001 0.000 0.296 32 G C -2.357 172.696 174.900 0.254 0.000 1.287 32 G CA -0.793 44.346 45.100 0.064 0.000 0.846 32 G HN 0.454 nan 8.290 nan 0.000 0.508 33 V N 0.279 120.443 119.914 0.418 0.000 2.483 33 V HA 0.594 4.714 4.120 -0.001 0.000 0.297 33 V C -0.014 176.324 176.094 0.406 0.000 1.027 33 V CA -0.705 61.806 62.300 0.351 0.000 0.855 33 V CB 1.410 33.346 31.823 0.188 0.000 0.995 33 V HN 0.734 nan 8.190 nan 0.000 0.424 34 V N 3.984 124.035 119.914 0.229 0.000 2.481 34 V HA 0.780 4.899 4.120 -0.001 0.000 0.286 34 V C 0.905 177.093 176.094 0.157 0.000 1.042 34 V CA 0.308 62.713 62.300 0.176 0.000 0.928 34 V CB 1.298 33.027 31.823 -0.156 0.000 0.986 34 V HN 0.964 nan 8.190 nan 0.000 0.462 35 G N 3.353 112.278 108.800 0.209 0.000 2.890 35 G HA2 0.324 4.284 3.960 -0.001 0.000 0.189 35 G HA3 0.324 4.284 3.960 -0.001 0.000 0.189 35 G C 0.788 175.753 174.900 0.109 0.000 1.342 35 G CA -0.231 44.947 45.100 0.131 0.000 1.026 35 G HN 0.756 nan 8.290 nan 0.000 0.579 36 R N 0.019 120.571 120.500 0.087 0.000 2.285 36 R HA -0.011 4.329 4.340 -0.001 0.000 0.213 36 R C 1.660 178.004 176.300 0.073 0.000 1.068 36 R CA 1.732 57.873 56.100 0.068 0.000 1.004 36 R CB -0.262 30.074 30.300 0.061 0.000 0.873 36 R HN 0.548 nan 8.270 nan 0.000 0.467 37 E N 1.555 121.822 120.200 0.112 0.000 2.455 37 E HA -0.165 4.185 4.350 -0.001 0.000 0.202 37 E C 1.415 178.066 176.600 0.086 0.000 1.045 37 E CA 1.174 57.652 56.400 0.130 0.000 0.872 37 E CB -0.050 29.794 29.700 0.240 0.000 0.792 37 E HN 0.522 nan 8.360 nan 0.000 0.542 38 A N 1.543 124.395 122.820 0.053 0.000 2.070 38 A HA 0.070 4.389 4.320 -0.001 0.000 0.220 38 A C 2.463 180.025 177.584 -0.037 0.000 1.159 38 A CA 1.504 53.528 52.037 -0.022 0.000 0.656 38 A CB -0.537 18.449 19.000 -0.022 0.000 0.800 38 A HN 0.429 nan 8.150 nan 0.000 0.453 39 A N -0.777 122.039 122.820 -0.006 0.000 2.019 39 A HA -0.039 4.280 4.320 -0.001 0.000 0.219 39 A C 2.270 179.842 177.584 -0.020 0.000 1.164 39 A CA 2.024 54.056 52.037 -0.008 0.000 0.644 39 A CB -0.416 18.591 19.000 0.011 0.000 0.805 39 A HN 0.443 nan 8.150 nan 0.000 0.449 40 S N -1.965 113.723 115.700 -0.020 0.000 2.497 40 S HA 0.387 4.856 4.470 -0.001 0.000 0.218 40 S C 0.327 174.872 174.600 -0.091 0.000 1.023 40 S CA 0.077 58.261 58.200 -0.028 0.000 0.913 40 S CB 0.129 63.336 63.200 0.011 0.000 0.800 40 S HN 0.513 nan 8.310 nan 0.000 0.505 41 I N 0.773 121.242 120.570 -0.170 0.000 2.571 41 I HA 0.325 4.494 4.170 -0.001 0.000 0.289 41 I C -0.219 175.620 176.117 -0.462 0.000 1.115 41 I CA -0.522 60.545 61.300 -0.388 0.000 1.045 41 I CB 1.423 39.059 38.000 -0.608 0.000 1.238 41 I HN 0.019 nan 8.210 nan 0.000 0.424 42 L N 6.739 127.724 121.223 -0.398 0.000 2.253 42 L HA 0.230 4.570 4.340 -0.001 0.000 0.205 42 L C 0.326 177.085 176.870 -0.184 0.000 1.078 42 L CA 0.760 55.455 54.840 -0.242 0.000 0.805 42 L CB 0.074 42.053 42.059 -0.132 0.000 0.963 42 L HN 0.847 nan 8.230 nan 0.000 0.459 43 F N -0.443 119.363 119.950 -0.240 0.000 2.628 43 F HA -0.226 4.301 4.527 -0.000 0.000 0.319 43 F C 0.850 176.576 175.800 -0.123 0.000 0.645 43 F CA 0.660 58.532 58.000 -0.214 0.000 1.499 43 F CB -1.822 37.005 39.000 -0.288 0.000 1.900 43 F HN 0.351 nan 8.300 nan 0.000 0.308 44 D N -0.493 119.902 120.400 -0.009 0.000 2.431 44 D HA 0.134 4.774 4.640 -0.001 0.000 0.213 44 D C 1.284 177.569 176.300 -0.026 0.000 1.130 44 D CA 0.376 54.373 54.000 -0.005 0.000 0.834 44 D CB -0.021 40.775 40.800 -0.007 0.000 0.985 44 D HN 0.331 nan 8.370 nan 0.000 0.504 45 E N -0.139 120.026 120.200 -0.059 0.000 2.204 45 E HA 0.034 4.384 4.350 -0.001 0.000 0.194 45 E C 0.099 176.652 176.600 -0.079 0.000 0.989 45 E CA 0.680 57.058 56.400 -0.037 0.000 0.824 45 E CB 0.390 30.055 29.700 -0.059 0.000 0.756 45 E HN 0.128 nan 8.360 nan 0.000 0.477 46 V N 1.087 120.929 119.914 -0.120 0.000 2.577 46 V HA 0.146 4.265 4.120 -0.001 0.000 0.303 46 V C -0.347 175.709 176.094 -0.064 0.000 1.042 46 V CA -1.014 61.197 62.300 -0.148 0.000 0.872 46 V CB 1.808 33.497 31.823 -0.223 0.000 0.998 46 V HN 0.016 nan 8.190 nan 0.000 0.423 47 E N 2.822 122.997 120.200 -0.042 0.000 2.384 47 E HA 0.397 4.747 4.350 -0.001 0.000 0.266 47 E C 1.209 177.794 176.600 -0.024 0.000 1.012 47 E CA 1.138 57.525 56.400 -0.022 0.000 0.901 47 E CB 0.682 30.376 29.700 -0.011 0.000 0.967 47 E HN 1.101 nan 8.360 nan 0.000 0.435 48 G N 3.927 112.716 108.800 -0.018 0.000 2.175 48 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.244 48 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.244 48 G C 0.054 174.942 174.900 -0.021 0.000 0.982 48 G CA 0.137 45.227 45.100 -0.018 0.000 0.641 48 G HN 0.560 nan 8.290 nan 0.000 0.527 49 I N 1.647 122.206 120.570 -0.019 0.000 2.418 49 I HA 0.460 4.629 4.170 -0.001 0.000 0.287 49 I C -1.337 174.778 176.117 -0.004 0.000 1.008 49 I CA -0.915 60.377 61.300 -0.014 0.000 1.104 49 I CB 1.239 39.241 38.000 0.004 0.000 1.264 49 I HN -0.033 nan 8.210 nan 0.000 0.438 50 D N 6.894 127.267 120.400 -0.045 0.000 2.342 50 D HA 0.271 4.910 4.640 -0.001 0.000 0.243 50 D C -0.930 175.303 176.300 -0.111 0.000 1.019 50 D CA -0.155 53.815 54.000 -0.049 0.000 0.864 50 D CB 2.352 43.099 40.800 -0.088 0.000 1.315 50 D HN 0.226 nan 8.370 nan 0.000 0.468 51 F N 1.206 120.998 119.950 -0.263 0.000 2.410 51 F HA 0.259 4.785 4.527 -0.001 0.000 0.348 51 F C -0.164 175.425 175.800 -0.353 0.000 1.106 51 F CA -0.385 57.353 58.000 -0.437 0.000 1.163 51 F CB 0.912 39.542 39.000 -0.618 0.000 1.129 51 F HN -0.037 nan 8.300 nan 0.000 0.516 52 V N 7.962 127.322 119.914 -0.924 0.000 2.293 52 V HA 0.196 4.315 4.120 -0.001 0.000 0.275 52 V C -0.434 175.329 176.094 -0.553 0.000 1.021 52 V CA -0.834 61.099 62.300 -0.610 0.000 0.815 52 V CB 0.864 32.251 31.823 -0.728 0.000 1.025 52 V HN 0.565 nan 8.190 nan 0.000 0.448 53 L N 6.485 127.605 121.223 -0.173 0.000 2.367 53 L HA 0.553 4.893 4.340 -0.001 0.000 0.275 53 L C 0.769 177.651 176.870 0.019 0.000 1.129 53 L CA 0.978 55.844 54.840 0.044 0.000 0.839 53 L CB 1.210 43.373 42.059 0.175 0.000 1.133 53 L HN 0.859 nan 8.230 nan 0.000 0.453 54 T N 1.917 116.501 114.554 0.050 0.000 2.919 54 T HA 0.529 4.878 4.350 -0.001 0.000 0.282 54 T C 0.951 175.699 174.700 0.080 0.000 1.020 54 T CA -0.782 61.353 62.100 0.059 0.000 0.994 54 T CB 1.230 70.134 68.868 0.059 0.000 1.180 54 T HN 0.495 nan 8.240 nan 0.000 0.566 55 R N -0.297 120.252 120.500 0.082 0.000 2.254 55 R HA 0.235 4.575 4.340 -0.001 0.000 0.195 55 R C 0.357 176.742 176.300 0.142 0.000 0.957 55 R CA 0.488 56.642 56.100 0.091 0.000 1.024 55 R CB -0.549 29.792 30.300 0.067 0.000 0.952 55 R HN 0.763 nan 8.270 nan 0.000 0.484 56 H N -0.589 118.513 119.070 0.053 0.000 3.046 56 H HA 0.163 4.719 4.556 -0.001 0.000 0.363 56 H C -0.184 175.204 175.328 0.100 0.000 1.203 56 H CA -0.264 55.832 56.048 0.079 0.000 1.169 56 H CB 1.847 31.657 29.762 0.081 0.000 1.851 56 H HN -0.228 nan 8.280 nan 0.000 0.546 57 E N 2.588 122.869 120.200 0.135 0.000 2.204 57 E HA -0.083 4.267 4.350 -0.001 0.000 0.194 57 E C 1.522 178.296 176.600 0.291 0.000 0.989 57 E CA 0.888 57.398 56.400 0.183 0.000 0.824 57 E CB -0.009 29.746 29.700 0.093 0.000 0.756 57 E HN 0.440 nan 8.360 nan 0.000 0.477 58 F N 1.353 121.525 119.950 0.369 0.000 2.095 58 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 58 F C 2.043 177.876 175.800 0.055 0.000 1.104 58 F CA 1.730 59.830 58.000 0.167 0.000 1.232 58 F CB -0.756 38.282 39.000 0.064 0.000 0.987 58 F HN -0.092 nan 8.300 nan 0.000 0.475 59 T N 0.873 115.374 114.554 -0.088 0.000 2.720 59 T HA -0.197 4.152 4.350 -0.001 0.000 0.268 59 T C 2.204 176.742 174.700 -0.270 0.000 1.037 59 T CA 1.537 63.474 62.100 -0.273 0.000 1.144 59 T CB -0.871 67.957 68.868 -0.067 0.000 0.864 59 T HN 0.414 nan 8.240 nan 0.000 0.444 60 A N 1.277 124.035 122.820 -0.103 0.000 1.877 60 A HA 0.127 4.446 4.320 -0.001 0.000 0.216 60 A C 2.645 180.124 177.584 -0.174 0.000 1.186 60 A CA 1.857 53.849 52.037 -0.073 0.000 0.620 60 A CB -1.343 17.697 19.000 0.067 0.000 0.822 60 A HN 0.511 nan 8.150 nan 0.000 0.443 61 G N -0.704 108.019 108.800 -0.128 0.000 2.418 61 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.217 61 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.217 61 G C 1.482 176.232 174.900 -0.250 0.000 1.158 61 G CA 1.238 46.264 45.100 -0.123 0.000 0.771 61 G HN 0.323 nan 8.290 nan 0.000 0.545 62 V N 1.465 121.132 119.914 -0.412 0.000 2.427 62 V HA -0.070 4.050 4.120 -0.001 0.000 0.248 62 V C 3.289 179.086 176.094 -0.495 0.000 1.051 62 V CA 1.769 63.795 62.300 -0.455 0.000 1.048 62 V CB -0.683 30.728 31.823 -0.687 0.000 0.666 62 V HN 0.467 nan 8.190 nan 0.000 0.456 63 A N 0.229 122.680 122.820 -0.615 0.000 1.908 63 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 63 A C 2.418 179.472 177.584 -0.883 0.000 1.181 63 A CA 2.188 53.726 52.037 -0.833 0.000 0.627 63 A CB -0.733 17.540 19.000 -1.213 0.000 0.818 63 A HN 0.565 nan 8.150 nan 0.000 0.445 64 A N -0.060 122.306 122.820 -0.758 0.000 1.930 64 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 64 A C 1.782 179.239 177.584 -0.212 0.000 1.175 64 A CA 1.992 53.804 52.037 -0.375 0.000 0.627 64 A CB -0.731 18.199 19.000 -0.117 0.000 0.815 64 A HN 0.652 nan 8.150 nan 0.000 0.443 65 D N -0.593 119.679 120.400 -0.212 0.000 2.104 65 D HA -0.143 4.496 4.640 -0.001 0.000 0.194 65 D C 1.649 177.848 176.300 -0.167 0.000 0.994 65 D CA 1.845 55.760 54.000 -0.142 0.000 0.830 65 D CB -0.029 40.707 40.800 -0.106 0.000 0.959 65 D HN 0.144 nan 8.370 nan 0.000 0.452 66 V N 0.123 119.900 119.914 -0.229 0.000 2.488 66 V HA -0.090 4.030 4.120 -0.001 0.000 0.246 66 V C 2.325 178.299 176.094 -0.201 0.000 1.046 66 V CA 1.060 63.220 62.300 -0.232 0.000 1.053 66 V CB -0.386 31.270 31.823 -0.279 0.000 0.679 66 V HN 0.309 nan 8.190 nan 0.000 0.458 67 L N 1.043 122.156 121.223 -0.184 0.000 2.083 67 L HA -0.066 4.273 4.340 -0.001 0.000 0.209 67 L C 2.365 179.198 176.870 -0.061 0.000 1.083 67 L CA 2.315 57.100 54.840 -0.091 0.000 0.752 67 L CB -0.800 41.245 42.059 -0.024 0.000 0.899 67 L HN 0.229 nan 8.230 nan 0.000 0.433 68 A N -0.645 122.129 122.820 -0.076 0.000 1.968 68 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 68 A C 2.505 180.042 177.584 -0.078 0.000 1.169 68 A CA 1.389 53.395 52.037 -0.051 0.000 0.638 68 A CB -0.538 18.437 19.000 -0.042 0.000 0.812 68 A HN 0.497 nan 8.150 nan 0.000 0.446 69 R N -0.207 120.197 120.500 -0.159 0.000 2.073 69 R HA 0.006 4.346 4.340 -0.001 0.000 0.229 69 R C 1.763 177.907 176.300 -0.259 0.000 1.120 69 R CA 1.645 57.577 56.100 -0.282 0.000 0.967 69 R CB -0.313 29.690 30.300 -0.495 0.000 0.862 69 R HN 0.520 nan 8.270 nan 0.000 0.436 70 I N 0.343 120.803 120.570 -0.185 0.000 2.333 70 I HA -0.169 4.001 4.170 -0.001 0.000 0.246 70 I C 2.255 178.414 176.117 0.070 0.000 1.106 70 I CA 1.502 62.798 61.300 -0.007 0.000 1.411 70 I CB -0.289 37.706 38.000 -0.009 0.000 1.082 70 I HN 0.364 nan 8.210 nan 0.000 0.420 71 T N -1.861 112.710 114.554 0.028 0.000 3.023 71 T HA 0.094 4.444 4.350 -0.001 0.000 0.266 71 T C 1.756 176.487 174.700 0.050 0.000 1.093 71 T CA 0.727 62.853 62.100 0.043 0.000 1.129 71 T CB -0.067 68.820 68.868 0.031 0.000 0.899 71 T HN 0.519 nan 8.240 nan 0.000 0.491 72 G N 1.863 110.691 108.800 0.046 0.000 2.189 72 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.267 72 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.267 72 G C 0.112 175.027 174.900 0.025 0.000 0.975 72 G CA 0.093 45.221 45.100 0.047 0.000 0.644 72 G HN 0.694 nan 8.290 nan 0.000 0.537 73 R N -0.061 120.451 120.500 0.020 0.000 2.732 73 R HA 0.582 4.922 4.340 -0.001 0.000 0.278 73 R C -2.790 173.518 176.300 0.012 0.000 0.976 73 R CA -2.784 53.326 56.100 0.017 0.000 0.963 73 R CB 0.317 30.634 30.300 0.030 0.000 1.150 73 R HN 0.034 nan 8.270 nan 0.000 0.478 74 P HA 0.074 nan 4.420 nan 0.000 0.268 74 P C -0.396 176.929 177.300 0.042 0.000 1.205 74 P CA 0.124 63.228 63.100 0.007 0.000 0.771 74 P CB 0.661 32.347 31.700 -0.023 0.000 0.858 75 Q N 0.871 120.702 119.800 0.051 0.000 2.873 75 Q HA 0.860 5.199 4.340 -0.001 0.000 0.297 75 Q C -0.984 175.084 176.000 0.113 0.000 1.064 75 Q CA -0.946 54.911 55.803 0.091 0.000 0.816 75 Q CB 2.280 31.070 28.738 0.086 0.000 1.481 75 Q HN 0.434 nan 8.270 nan 0.000 0.488 76 A N 0.147 123.067 122.820 0.167 0.000 2.520 76 A HA 0.763 5.083 4.320 -0.001 0.000 0.298 76 A C -0.679 177.045 177.584 0.235 0.000 1.051 76 A CA -0.518 51.630 52.037 0.186 0.000 0.690 76 A CB 0.701 19.815 19.000 0.189 0.000 1.281 76 A HN 0.829 nan 8.150 nan 0.000 0.402 77 C N -0.268 119.170 119.300 0.229 0.000 3.080 77 C HA 0.986 5.446 4.460 -0.001 0.000 0.307 77 C C -1.085 174.110 174.990 0.340 0.000 1.311 77 C CA -0.907 58.260 59.018 0.247 0.000 1.533 77 C CB 1.467 29.302 27.740 0.158 0.000 1.970 77 C HN 1.139 nan 8.230 nan 0.000 0.467 78 W N 1.130 122.510 121.300 0.134 0.000 3.274 78 W HA 0.649 5.308 4.660 -0.001 0.000 0.327 78 W C -1.052 175.587 176.519 0.199 0.000 1.172 78 W CA 0.035 57.503 57.345 0.206 0.000 1.217 78 W CB 2.212 31.864 29.460 0.320 0.000 1.376 78 W HN 1.325 nan 8.180 nan 0.000 0.507 79 A N 2.406 125.214 122.820 -0.021 0.000 2.593 79 A HA 0.635 4.955 4.320 -0.001 0.000 0.290 79 A C -0.808 176.764 177.584 -0.020 0.000 1.126 79 A CA -0.408 51.700 52.037 0.118 0.000 0.695 79 A CB 1.825 20.877 19.000 0.086 0.000 1.290 79 A HN 0.450 nan 8.150 nan 0.000 0.414 80 T N -0.177 114.441 114.554 0.106 0.000 2.833 80 T HA 0.537 4.887 4.350 -0.001 0.000 0.292 80 T C 0.590 175.298 174.700 0.012 0.000 1.031 80 T CA 0.031 62.181 62.100 0.083 0.000 0.937 80 T CB -0.063 68.876 68.868 0.119 0.000 1.256 80 T HN 1.150 nan 8.240 nan 0.000 0.551 81 L N -0.151 121.074 121.223 0.004 0.000 2.472 81 L HA 0.617 4.956 4.340 -0.001 0.000 0.260 81 L C 1.287 178.142 176.870 -0.025 0.000 1.209 81 L CA -0.071 54.760 54.840 -0.015 0.000 0.817 81 L CB -0.765 41.276 42.059 -0.030 0.000 1.106 81 L HN 0.916 nan 8.230 nan 0.000 0.479 82 G N 1.453 110.237 108.800 -0.028 0.000 2.602 82 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.310 82 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.310 82 G C -1.100 173.783 174.900 -0.028 0.000 1.183 82 G CA 0.365 45.441 45.100 -0.039 0.000 0.979 82 G HN 0.784 nan 8.290 nan 0.000 0.545 83 P HA -0.003 nan 4.420 nan 0.000 0.223 83 P C 1.942 179.230 177.300 -0.021 0.000 1.151 83 P CA 2.302 65.388 63.100 -0.024 0.000 0.787 83 P CB -0.654 31.031 31.700 -0.025 0.000 0.788 84 G N 1.096 109.888 108.800 -0.012 0.000 2.480 84 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.216 84 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.216 84 G C 1.564 176.472 174.900 0.014 0.000 1.200 84 G CA 1.208 46.312 45.100 0.005 0.000 0.782 84 G HN 0.153 nan 8.290 nan 0.000 0.554 85 M N 1.915 121.523 119.600 0.013 0.000 2.082 85 M HA -0.142 4.337 4.480 -0.001 0.000 0.258 85 M C 2.741 179.025 176.300 -0.027 0.000 1.069 85 M CA 2.712 58.018 55.300 0.009 0.000 1.102 85 M CB -1.249 31.363 32.600 0.020 0.000 1.336 85 M HN 0.425 nan 8.290 nan 0.000 0.404 86 T N -1.026 113.513 114.554 -0.025 0.000 2.788 86 T HA -0.111 4.238 4.350 -0.001 0.000 0.268 86 T C 1.588 176.302 174.700 0.022 0.000 1.044 86 T CA 1.610 63.697 62.100 -0.021 0.000 1.139 86 T CB -0.673 68.185 68.868 -0.018 0.000 0.867 86 T HN 0.347 nan 8.240 nan 0.000 0.454 87 N N 1.351 120.075 118.700 0.040 0.000 2.120 87 N HA 0.066 4.805 4.740 -0.001 0.000 0.188 87 N C 1.887 177.499 175.510 0.169 0.000 1.024 87 N CA 0.755 53.873 53.050 0.113 0.000 0.852 87 N CB -0.674 37.804 38.487 -0.014 0.000 1.003 87 N HN 0.314 nan 8.380 nan 0.000 0.424 88 L N 1.171 122.457 121.223 0.106 0.000 2.127 88 L HA -0.162 4.178 4.340 -0.001 0.000 0.211 88 L C 2.138 179.069 176.870 0.102 0.000 1.089 88 L CA 1.385 56.296 54.840 0.118 0.000 0.757 88 L CB -0.532 41.579 42.059 0.087 0.000 0.899 88 L HN 0.278 nan 8.230 nan 0.000 0.434 89 S N -1.963 113.763 115.700 0.044 0.000 2.442 89 S HA -0.175 4.294 4.470 -0.001 0.000 0.236 89 S C 1.702 176.337 174.600 0.059 0.000 1.007 89 S CA 1.650 59.848 58.200 -0.003 0.000 0.965 89 S CB -0.493 62.670 63.200 -0.062 0.000 0.773 89 S HN 0.434 nan 8.310 nan 0.000 0.504 90 T N 1.286 115.922 114.554 0.137 0.000 2.904 90 T HA 0.136 4.486 4.350 -0.001 0.000 0.267 90 T C 1.980 176.871 174.700 0.319 0.000 1.059 90 T CA 1.097 63.313 62.100 0.192 0.000 1.137 90 T CB -0.893 68.060 68.868 0.141 0.000 0.879 90 T HN 0.626 nan 8.240 nan 0.000 0.467 91 G N 1.438 110.435 108.800 0.328 0.000 2.408 91 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.217 91 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.217 91 G C 1.496 176.448 174.900 0.085 0.000 1.150 91 G CA 0.349 45.543 45.100 0.157 0.000 0.776 91 G HN 0.482 nan 8.290 nan 0.000 0.542 92 I N 1.362 121.976 120.570 0.073 0.000 2.286 92 I HA -0.163 4.007 4.170 -0.001 0.000 0.248 92 I C 3.231 179.370 176.117 0.035 0.000 1.115 92 I CA 0.934 62.258 61.300 0.039 0.000 1.392 92 I CB -0.140 37.859 38.000 -0.002 0.000 1.065 92 I HN 0.240 nan 8.210 nan 0.000 0.418 93 A N 0.220 123.068 122.820 0.048 0.000 1.930 93 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 93 A C 2.370 179.983 177.584 0.048 0.000 1.175 93 A CA 2.159 54.218 52.037 0.036 0.000 0.627 93 A CB -0.962 18.059 19.000 0.036 0.000 0.815 93 A HN 0.356 nan 8.150 nan 0.000 0.443 94 T N -0.479 114.129 114.554 0.089 0.000 2.684 94 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 94 T C 2.290 177.012 174.700 0.037 0.000 1.036 94 T CA 1.881 64.032 62.100 0.085 0.000 1.148 94 T CB -0.306 68.650 68.868 0.146 0.000 0.863 94 T HN 0.567 nan 8.240 nan 0.000 0.436 95 S N 0.075 115.792 115.700 0.028 0.000 2.383 95 S HA -0.053 4.417 4.470 -0.001 0.000 0.227 95 S C 2.152 176.756 174.600 0.007 0.000 1.026 95 S CA 0.982 59.187 58.200 0.009 0.000 0.981 95 S CB -0.473 62.734 63.200 0.010 0.000 0.818 95 S HN 0.270 nan 8.310 nan 0.000 0.472 96 V N 1.053 120.974 119.914 0.011 0.000 2.453 96 V HA 0.070 4.189 4.120 -0.001 0.000 0.247 96 V C 2.117 178.210 176.094 -0.002 0.000 1.048 96 V CA 1.645 63.950 62.300 0.008 0.000 1.049 96 V CB -0.261 31.567 31.823 0.009 0.000 0.672 96 V HN 0.551 nan 8.190 nan 0.000 0.457 97 L N -0.675 120.543 121.223 -0.007 0.000 2.249 97 L HA 0.038 4.378 4.340 -0.001 0.000 0.207 97 L C 1.941 178.789 176.870 -0.035 0.000 1.090 97 L CA 1.033 55.860 54.840 -0.022 0.000 0.802 97 L CB -0.314 41.729 42.059 -0.027 0.000 0.947 97 L HN 0.296 nan 8.230 nan 0.000 0.453 98 D N -0.115 120.267 120.400 -0.030 0.000 2.333 98 D HA 0.015 4.654 4.640 -0.001 0.000 0.208 98 D C -0.155 176.126 176.300 -0.031 0.000 0.984 98 D CA 0.197 54.173 54.000 -0.040 0.000 0.873 98 D CB 0.292 41.070 40.800 -0.037 0.000 0.935 98 D HN -0.043 nan 8.370 nan 0.000 0.521 99 R N 0.296 120.783 120.500 -0.022 0.000 2.388 99 R HA -0.086 4.254 4.340 -0.001 0.000 0.344 99 R C -0.727 175.559 176.300 -0.022 0.000 1.043 99 R CA 0.148 56.238 56.100 -0.016 0.000 0.776 99 R CB -3.048 27.245 30.300 -0.011 0.000 2.324 99 R HN 0.324 nan 8.270 nan 0.000 0.479 100 S N 0.216 115.903 115.700 -0.021 0.000 2.537 100 S HA 0.759 5.229 4.470 -0.001 0.000 0.270 100 S C -2.943 171.647 174.600 -0.016 0.000 1.142 100 S CA -1.566 56.616 58.200 -0.031 0.000 0.870 100 S CB 3.684 66.851 63.200 -0.054 0.000 1.112 100 S HN 0.162 nan 8.310 nan 0.000 0.466 101 P HA 0.375 nan 4.420 nan 0.000 0.266 101 P C -0.906 176.394 177.300 0.000 0.000 1.586 101 P CA -0.289 62.804 63.100 -0.011 0.000 1.088 101 P CB 0.511 32.199 31.700 -0.021 0.000 1.584 102 V N 5.548 125.472 119.914 0.016 0.000 2.513 102 V HA 0.335 4.454 4.120 -0.001 0.000 0.299 102 V C 0.405 176.538 176.094 0.065 0.000 1.035 102 V CA -0.787 61.536 62.300 0.037 0.000 0.889 102 V CB 2.187 34.027 31.823 0.029 0.000 0.988 102 V HN 0.300 nan 8.190 nan 0.000 0.440 103 I N 4.206 124.826 120.570 0.083 0.000 2.297 103 I HA 0.519 4.688 4.170 -0.001 0.000 0.291 103 I C 0.561 176.760 176.117 0.137 0.000 1.033 103 I CA -0.403 60.961 61.300 0.106 0.000 1.253 103 I CB 0.899 38.961 38.000 0.102 0.000 1.396 103 I HN 0.669 nan 8.210 nan 0.000 0.476 104 A N 8.306 131.224 122.820 0.163 0.000 2.274 104 A HA 0.808 5.128 4.320 -0.001 0.000 0.309 104 A C -0.412 177.247 177.584 0.125 0.000 1.226 104 A CA -0.441 51.715 52.037 0.198 0.000 0.853 104 A CB 0.593 19.757 19.000 0.274 0.000 1.146 104 A HN 0.683 nan 8.150 nan 0.000 0.518 105 L N 2.016 123.244 121.223 0.008 0.000 2.362 105 L HA 0.798 5.138 4.340 -0.001 0.000 0.275 105 L C 0.160 176.725 176.870 -0.508 0.000 0.998 105 L CA -0.415 54.241 54.840 -0.307 0.000 0.820 105 L CB 2.114 44.006 42.059 -0.279 0.000 1.270 105 L HN 0.773 nan 8.230 nan 0.000 0.415 106 A N 2.036 124.530 122.820 -0.544 0.000 2.455 106 A HA 0.883 5.202 4.320 -0.001 0.000 0.300 106 A C -0.355 176.985 177.584 -0.406 0.000 1.040 106 A CA -0.452 51.336 52.037 -0.415 0.000 0.697 106 A CB 1.589 20.625 19.000 0.061 0.000 1.265 106 A HN 0.779 nan 8.150 nan 0.000 0.407 107 A N 0.880 123.503 122.820 -0.328 0.000 2.386 107 A HA 0.570 4.889 4.320 -0.001 0.000 0.246 107 A C 0.184 177.720 177.584 -0.080 0.000 1.089 107 A CA 0.369 52.322 52.037 -0.140 0.000 0.790 107 A CB 0.400 19.403 19.000 0.005 0.000 1.042 107 A HN 1.150 nan 8.150 nan 0.000 0.497 108 Q N -0.236 119.529 119.800 -0.059 0.000 2.501 108 Q HA 0.523 4.862 4.340 -0.001 0.000 0.288 108 Q C -0.484 175.487 176.000 -0.047 0.000 1.051 108 Q CA -0.328 55.446 55.803 -0.048 0.000 0.788 108 Q CB 1.712 30.414 28.738 -0.059 0.000 1.469 108 Q HN 0.746 nan 8.270 nan 0.000 0.416 109 S N 1.700 117.365 115.700 -0.058 0.000 2.559 109 S HA 0.037 4.507 4.470 -0.001 0.000 0.282 109 S C -0.597 173.943 174.600 -0.101 0.000 1.336 109 S CA -0.060 58.097 58.200 -0.072 0.000 1.037 109 S CB 0.035 63.185 63.200 -0.083 0.000 0.853 109 S HN 0.544 nan 8.310 nan 0.000 0.523 110 E N 1.789 121.917 120.200 -0.119 0.000 2.708 110 E HA -0.059 4.290 4.350 -0.001 0.000 0.260 110 E C 1.360 177.812 176.600 -0.247 0.000 0.937 110 E CA 0.569 56.870 56.400 -0.165 0.000 0.953 110 E CB 0.259 29.810 29.700 -0.248 0.000 0.915 110 E HN 0.646 nan 8.360 nan 0.000 0.487 111 S N 3.505 119.138 115.700 -0.112 0.000 2.374 111 S HA -0.307 4.163 4.470 -0.001 0.000 0.227 111 S C 1.681 176.208 174.600 -0.122 0.000 1.037 111 S CA 1.724 59.874 58.200 -0.083 0.000 1.024 111 S CB -0.595 62.609 63.200 0.007 0.000 0.861 111 S HN 0.778 nan 8.310 nan 0.000 0.456 112 H N 0.067 119.092 119.070 -0.074 0.000 2.559 112 H HA 0.198 4.754 4.556 -0.001 0.000 0.273 112 H C 0.440 175.701 175.328 -0.112 0.000 1.000 112 H CA 1.241 57.246 56.048 -0.072 0.000 1.195 112 H CB -0.400 29.357 29.762 -0.008 0.000 1.368 112 H HN 0.505 nan 8.280 nan 0.000 0.592 113 D N 0.478 120.591 120.400 -0.479 0.000 2.571 113 D HA 0.210 4.849 4.640 -0.001 0.000 0.239 113 D C -0.224 175.848 176.300 -0.382 0.000 1.267 113 D CA -0.320 53.491 54.000 -0.316 0.000 0.823 113 D CB -0.138 40.491 40.800 -0.284 0.000 1.056 113 D HN 0.263 nan 8.370 nan 0.000 0.494 114 I N 1.608 121.827 120.570 -0.584 0.000 2.278 114 I HA 0.169 4.339 4.170 -0.001 0.000 0.296 114 I C -0.638 175.056 176.117 -0.706 0.000 1.121 114 I CA -0.086 60.941 61.300 -0.455 0.000 1.267 114 I CB -0.007 37.813 38.000 -0.300 0.000 1.447 114 I HN -0.086 nan 8.210 nan 0.000 0.509 115 F N 7.120 127.059 119.950 -0.018 0.000 2.676 115 F HA 0.394 4.920 4.527 -0.001 0.000 0.371 115 F C -2.292 173.504 175.800 -0.007 0.000 1.141 115 F CA -2.807 55.189 58.000 -0.008 0.000 1.133 115 F CB 0.773 39.771 39.000 -0.002 0.000 1.376 115 F HN 0.233 nan 8.300 nan 0.000 0.491 116 P HA 0.056 nan 4.420 nan 0.000 0.262 116 P C 0.059 177.403 177.300 0.074 0.000 1.182 116 P CA 0.668 63.806 63.100 0.062 0.000 0.761 116 P CB 0.391 32.111 31.700 0.033 0.000 0.795 117 N N 1.164 119.896 118.700 0.053 0.000 2.800 117 N HA -0.162 4.578 4.740 -0.001 0.000 0.250 117 N C 0.104 175.648 175.510 0.056 0.000 1.078 117 N CA 1.231 54.308 53.050 0.045 0.000 0.804 117 N CB -1.432 37.074 38.487 0.033 0.000 1.135 117 N HN 0.526 nan 8.380 nan 0.000 0.565 118 D N -1.334 119.117 120.400 0.084 0.000 2.618 118 D HA 0.065 4.705 4.640 -0.001 0.000 0.278 118 D C 0.094 176.456 176.300 0.105 0.000 1.203 118 D CA 0.558 54.605 54.000 0.079 0.000 1.073 118 D CB -0.086 40.754 40.800 0.065 0.000 1.632 118 D HN 0.006 nan 8.370 nan 0.000 0.473 119 T N 1.390 116.042 114.554 0.162 0.000 2.928 119 T HA -0.017 4.333 4.350 -0.001 0.000 0.305 119 T C 0.195 174.975 174.700 0.134 0.000 1.035 119 T CA 0.192 62.391 62.100 0.164 0.000 1.145 119 T CB 0.330 69.304 68.868 0.176 0.000 0.963 119 T HN 0.092 nan 8.240 nan 0.000 0.545 120 H N 3.174 122.270 119.070 0.044 0.000 3.157 120 H HA -0.026 4.530 4.556 -0.001 0.000 0.299 120 H C 1.081 176.424 175.328 0.026 0.000 0.961 120 H CA 1.077 57.143 56.048 0.030 0.000 1.428 120 H CB -0.111 29.667 29.762 0.026 0.000 1.459 120 H HN 0.794 nan 8.280 nan 0.000 0.566 121 Q N 1.300 120.914 119.800 -0.311 0.000 2.416 121 Q HA -0.260 4.079 4.340 -0.001 0.000 0.235 121 Q C -0.442 175.484 176.000 -0.123 0.000 0.773 121 Q CA 1.077 56.707 55.803 -0.289 0.000 1.286 121 Q CB -1.806 26.664 28.738 -0.448 0.000 1.556 121 Q HN 0.622 nan 8.270 nan 0.000 0.650 122 C N 1.420 120.686 119.300 -0.056 0.000 2.265 122 C HA 0.663 5.123 4.460 -0.001 0.000 0.332 122 C C 0.252 175.237 174.990 -0.008 0.000 1.248 122 C CA -0.466 58.537 59.018 -0.024 0.000 1.727 122 C CB -0.369 27.375 27.740 0.005 0.000 2.348 122 C HN 0.334 nan 8.230 nan 0.000 0.519 123 L N 4.229 125.444 121.223 -0.013 0.000 2.303 123 L HA 0.449 4.789 4.340 -0.001 0.000 0.266 123 L C 0.041 176.908 176.870 -0.004 0.000 1.011 123 L CA -0.542 54.294 54.840 -0.008 0.000 0.818 123 L CB 1.216 43.266 42.059 -0.016 0.000 1.326 123 L HN 0.481 nan 8.230 nan 0.000 0.435 124 D N 0.296 120.694 120.400 -0.004 0.000 2.545 124 D HA 0.072 4.711 4.640 -0.001 0.000 0.227 124 D C 0.904 177.203 176.300 -0.002 0.000 1.150 124 D CA 0.200 54.199 54.000 -0.003 0.000 1.046 124 D CB 0.645 41.443 40.800 -0.005 0.000 1.098 124 D HN 0.440 nan 8.370 nan 0.000 0.502 125 S N 0.881 116.598 115.700 0.028 0.000 2.359 125 S HA -0.149 4.321 4.470 -0.001 0.000 0.224 125 S C 2.180 176.805 174.600 0.041 0.000 1.035 125 S CA 0.731 58.958 58.200 0.045 0.000 1.018 125 S CB 0.034 63.370 63.200 0.226 0.000 0.876 125 S HN 0.430 nan 8.310 nan 0.000 0.448 126 V N 1.927 121.922 119.914 0.134 0.000 2.343 126 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 126 V C 2.630 178.724 176.094 0.001 0.000 1.051 126 V CA 1.707 64.079 62.300 0.121 0.000 1.036 126 V CB -1.184 30.683 31.823 0.073 0.000 0.654 126 V HN 0.561 nan 8.190 nan 0.000 0.451 127 A N -0.389 122.422 122.820 -0.016 0.000 1.968 127 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 127 A C 2.154 179.704 177.584 -0.057 0.000 1.169 127 A CA 1.507 53.524 52.037 -0.032 0.000 0.638 127 A CB -0.444 18.542 19.000 -0.022 0.000 0.812 127 A HN 0.513 nan 8.150 nan 0.000 0.446 128 I N -0.698 119.824 120.570 -0.080 0.000 2.286 128 I HA -0.153 4.017 4.170 -0.001 0.000 0.245 128 I C 2.003 178.028 176.117 -0.153 0.000 1.104 128 I CA 0.981 62.217 61.300 -0.107 0.000 1.397 128 I CB -0.032 37.900 38.000 -0.113 0.000 1.072 128 I HN 0.130 nan 8.210 nan 0.000 0.417 129 V N 0.514 120.283 119.914 -0.241 0.000 3.235 129 V HA 0.040 4.160 4.120 -0.001 0.000 0.259 129 V C 2.483 178.480 176.094 -0.161 0.000 1.133 129 V CA 1.103 63.216 62.300 -0.312 0.000 1.128 129 V CB -0.264 31.093 31.823 -0.777 0.000 0.757 129 V HN 0.392 nan 8.190 nan 0.000 0.469 130 A N 1.204 123.966 122.820 -0.097 0.000 1.940 130 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 130 A C 0.449 178.012 177.584 -0.035 0.000 1.176 130 A CA 1.859 53.869 52.037 -0.045 0.000 0.631 130 A CB -1.687 17.291 19.000 -0.037 0.000 0.814 130 A HN 0.555 nan 8.150 nan 0.000 0.446 131 P HA -0.050 nan 4.420 nan 0.000 0.230 131 P C 0.939 178.224 177.300 -0.025 0.000 1.158 131 P CA 1.113 64.196 63.100 -0.029 0.000 0.769 131 P CB -0.095 31.585 31.700 -0.033 0.000 0.807 132 M N -2.938 116.641 119.600 -0.036 0.000 2.692 132 M HA 0.407 4.887 4.480 -0.001 0.000 0.372 132 M C -0.382 175.910 176.300 -0.013 0.000 1.192 132 M CA -0.443 54.841 55.300 -0.027 0.000 0.928 132 M CB 0.608 33.184 32.600 -0.040 0.000 1.366 132 M HN -0.262 nan 8.290 nan 0.000 0.517 133 S N -1.333 114.369 115.700 0.004 0.000 2.638 133 S HA 0.585 5.055 4.470 -0.001 0.000 0.274 133 S C 0.214 174.852 174.600 0.063 0.000 1.157 133 S CA -0.947 57.277 58.200 0.040 0.000 0.826 133 S CB 1.689 64.924 63.200 0.059 0.000 1.139 133 S HN 0.170 nan 8.310 nan 0.000 0.474 134 K N -0.306 120.152 120.400 0.097 0.000 2.305 134 K HA 0.224 4.544 4.320 -0.001 0.000 0.199 134 K C -0.489 176.229 176.600 0.197 0.000 1.047 134 K CA 0.910 57.265 56.287 0.112 0.000 0.976 134 K CB -0.400 32.156 32.500 0.093 0.000 0.765 134 K HN 0.732 nan 8.250 nan 0.000 0.474 135 Y N -0.946 119.379 120.300 0.042 0.000 2.465 135 Y HA 0.408 4.957 4.550 -0.001 0.000 0.323 135 Y C -2.146 173.809 175.900 0.093 0.000 1.191 135 Y CA -1.054 57.075 58.100 0.049 0.000 1.082 135 Y CB 1.273 39.753 38.460 0.033 0.000 1.334 135 Y HN -0.071 nan 8.280 nan 0.000 0.449 136 A N 5.052 127.668 122.820 -0.340 0.000 2.456 136 A HA 0.761 5.080 4.320 -0.001 0.000 0.288 136 A C -2.241 175.160 177.584 -0.305 0.000 1.042 136 A CA -0.413 51.555 52.037 -0.114 0.000 0.738 136 A CB 1.409 20.454 19.000 0.074 0.000 1.266 136 A HN 1.199 nan 8.150 nan 0.000 0.407 137 V N 1.690 121.450 119.914 -0.256 0.000 3.087 137 V HA 0.643 4.763 4.120 -0.001 0.000 0.306 137 V C -0.934 175.057 176.094 -0.171 0.000 1.187 137 V CA -0.498 61.657 62.300 -0.241 0.000 0.999 137 V CB 2.024 33.661 31.823 -0.310 0.000 1.049 137 V HN 1.012 nan 8.190 nan 0.000 0.431 138 E N 3.840 123.967 120.200 -0.121 0.000 2.166 138 E HA 0.445 4.795 4.350 -0.001 0.000 0.275 138 E C -1.117 175.427 176.600 -0.093 0.000 0.941 138 E CA -0.838 55.492 56.400 -0.117 0.000 0.784 138 E CB 1.817 31.471 29.700 -0.077 0.000 1.115 138 E HN 0.655 nan 8.360 nan 0.000 0.399 139 L N 4.188 125.352 121.223 -0.097 0.000 2.499 139 L HA -0.014 4.326 4.340 -0.001 0.000 0.273 139 L C 0.487 177.329 176.870 -0.046 0.000 1.195 139 L CA 1.123 55.925 54.840 -0.064 0.000 0.882 139 L CB 0.588 42.612 42.059 -0.059 0.000 1.133 139 L HN 0.745 nan 8.230 nan 0.000 0.483 140 Q N 3.773 123.553 119.800 -0.032 0.000 2.471 140 Q HA 0.286 4.626 4.340 -0.001 0.000 0.259 140 Q C -0.143 175.859 176.000 0.004 0.000 0.850 140 Q CA 0.040 55.833 55.803 -0.017 0.000 0.981 140 Q CB 0.966 29.693 28.738 -0.018 0.000 1.180 140 Q HN 0.574 nan 8.270 nan 0.000 0.571 141 R N 0.960 121.462 120.500 0.004 0.000 2.451 141 R HA 0.244 4.583 4.340 -0.001 0.000 0.307 141 R C -2.207 174.122 176.300 0.047 0.000 0.965 141 R CA -1.806 54.323 56.100 0.048 0.000 0.865 141 R CB 1.579 31.927 30.300 0.080 0.000 1.174 141 R HN -0.121 nan 8.270 nan 0.000 0.455 142 P HA -0.288 nan 4.420 nan 0.000 0.217 142 P C 1.012 178.361 177.300 0.082 0.000 1.158 142 P CA 1.489 64.632 63.100 0.072 0.000 0.887 142 P CB 0.015 31.763 31.700 0.079 0.000 0.792 143 H N -0.218 118.859 119.070 0.012 0.000 2.521 143 H HA 0.004 4.559 4.556 -0.001 0.000 0.286 143 H C 1.133 176.473 175.328 0.019 0.000 1.034 143 H CA 1.111 57.168 56.048 0.015 0.000 1.278 143 H CB -0.892 28.876 29.762 0.010 0.000 1.386 143 H HN 0.249 nan 8.280 nan 0.000 0.567 144 E N 0.209 120.118 120.200 -0.484 0.000 2.478 144 E HA -0.029 4.320 4.350 -0.001 0.000 0.198 144 E C 1.787 178.307 176.600 -0.133 0.000 1.046 144 E CA 0.202 56.380 56.400 -0.370 0.000 0.870 144 E CB -0.027 29.487 29.700 -0.311 0.000 0.818 144 E HN 0.295 nan 8.360 nan 0.000 0.527 145 I N 1.170 121.699 120.570 -0.069 0.000 2.335 145 I HA -0.278 3.891 4.170 -0.001 0.000 0.251 145 I C 1.962 178.080 176.117 0.002 0.000 1.129 145 I CA 1.601 62.892 61.300 -0.014 0.000 1.402 145 I CB -0.338 37.671 38.000 0.014 0.000 1.069 145 I HN -0.014 nan 8.210 nan 0.000 0.424 146 T N 0.688 115.239 114.554 -0.005 0.000 2.652 146 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 146 T C 1.444 176.148 174.700 0.007 0.000 1.039 146 T CA 1.952 64.055 62.100 0.004 0.000 1.153 146 T CB -0.569 68.304 68.868 0.008 0.000 0.863 146 T HN 0.714 nan 8.240 nan 0.000 0.428 147 D N 0.933 121.326 120.400 -0.012 0.000 2.224 147 D HA -0.031 4.609 4.640 -0.001 0.000 0.205 147 D C 2.004 178.310 176.300 0.009 0.000 0.965 147 D CA 0.667 54.665 54.000 -0.002 0.000 0.852 147 D CB -0.626 40.164 40.800 -0.017 0.000 0.947 147 D HN 0.345 nan 8.370 nan 0.000 0.494 148 L N 0.214 121.450 121.223 0.021 0.000 2.056 148 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 148 L C 2.562 179.455 176.870 0.037 0.000 1.078 148 L CA 0.610 55.493 54.840 0.071 0.000 0.749 148 L CB -0.403 41.702 42.059 0.078 0.000 0.901 148 L HN 0.057 nan 8.230 nan 0.000 0.433 149 V N 0.070 120.010 119.914 0.043 0.000 2.287 149 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 149 V C 2.160 178.286 176.094 0.055 0.000 1.053 149 V CA 2.002 64.340 62.300 0.063 0.000 1.027 149 V CB -0.561 31.325 31.823 0.104 0.000 0.646 149 V HN 0.450 nan 8.190 nan 0.000 0.447 150 D N -0.010 120.442 120.400 0.086 0.000 2.097 150 D HA -0.124 4.515 4.640 -0.001 0.000 0.195 150 D C 2.429 178.665 176.300 -0.108 0.000 0.989 150 D CA 1.733 55.789 54.000 0.094 0.000 0.827 150 D CB -0.331 40.529 40.800 0.100 0.000 0.966 150 D HN 0.383 nan 8.370 nan 0.000 0.456 151 S N 0.343 115.930 115.700 -0.189 0.000 2.402 151 S HA -0.078 4.392 4.470 -0.001 0.000 0.229 151 S C 2.056 176.190 174.600 -0.776 0.000 1.021 151 S CA 0.912 58.873 58.200 -0.399 0.000 0.974 151 S CB -0.097 62.895 63.200 -0.345 0.000 0.800 151 S HN 0.362 nan 8.310 nan 0.000 0.484 152 A N 1.059 123.445 122.820 -0.724 0.000 1.898 152 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 152 A C 2.310 179.721 177.584 -0.288 0.000 1.181 152 A CA 1.334 53.032 52.037 -0.565 0.000 0.620 152 A CB -0.822 18.090 19.000 -0.147 0.000 0.819 152 A HN 0.340 nan 8.150 nan 0.000 0.442 153 V N 0.999 120.767 119.914 -0.243 0.000 2.343 153 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 153 V C 2.327 178.288 176.094 -0.223 0.000 1.051 153 V CA 2.104 64.252 62.300 -0.253 0.000 1.036 153 V CB -1.012 30.518 31.823 -0.488 0.000 0.654 153 V HN 0.540 nan 8.190 nan 0.000 0.451 154 N N 0.806 119.371 118.700 -0.225 0.000 2.061 154 N HA -0.173 4.566 4.740 -0.001 0.000 0.193 154 N C 1.843 177.277 175.510 -0.127 0.000 1.030 154 N CA 1.946 54.900 53.050 -0.160 0.000 0.856 154 N CB -0.577 37.825 38.487 -0.142 0.000 1.023 154 N HN 0.506 nan 8.380 nan 0.000 0.424 155 A N 0.534 123.260 122.820 -0.158 0.000 1.929 155 A HA 0.182 4.502 4.320 -0.001 0.000 0.216 155 A C 2.318 179.879 177.584 -0.037 0.000 1.176 155 A CA 1.586 53.579 52.037 -0.073 0.000 0.628 155 A CB -0.683 18.297 19.000 -0.034 0.000 0.816 155 A HN 0.312 nan 8.150 nan 0.000 0.444 156 A N -1.008 121.778 122.820 -0.057 0.000 1.933 156 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 156 A C 1.867 179.431 177.584 -0.034 0.000 1.175 156 A CA 1.702 53.722 52.037 -0.028 0.000 0.628 156 A CB -0.353 18.628 19.000 -0.032 0.000 0.814 156 A HN 0.383 nan 8.150 nan 0.000 0.444 157 M N 0.723 120.288 119.600 -0.058 0.000 2.505 157 M HA 0.116 4.596 4.480 -0.001 0.000 0.230 157 M C -0.362 175.915 176.300 -0.038 0.000 1.153 157 M CA 0.544 55.814 55.300 -0.050 0.000 0.997 157 M CB -0.834 31.723 32.600 -0.071 0.000 1.606 157 M HN 0.136 nan 8.290 nan 0.000 0.481 158 T N 1.285 115.821 114.554 -0.031 0.000 2.794 158 T HA 0.269 4.619 4.350 -0.001 0.000 0.280 158 T C 0.325 175.017 174.700 -0.014 0.000 0.987 158 T CA -0.639 61.447 62.100 -0.023 0.000 0.993 158 T CB 1.887 70.743 68.868 -0.021 0.000 0.939 158 T HN 0.102 nan 8.240 nan 0.000 0.449 159 E N 3.772 123.963 120.200 -0.016 0.000 2.384 159 E HA 0.167 4.517 4.350 -0.001 0.000 0.266 159 E C -2.207 174.389 176.600 -0.007 0.000 1.012 159 E CA -1.818 54.575 56.400 -0.012 0.000 0.901 159 E CB 0.394 30.084 29.700 -0.018 0.000 0.967 159 E HN 0.340 nan 8.360 nan 0.000 0.435 160 P HA 0.016 nan 4.420 nan 0.000 0.276 160 P C -0.046 177.255 177.300 0.000 0.000 1.243 160 P CA -0.364 62.736 63.100 -0.001 0.000 0.768 160 P CB 0.508 32.209 31.700 0.002 0.000 0.856 161 V N 1.421 121.334 119.914 -0.002 0.000 2.999 161 V HA 0.720 4.839 4.120 -0.001 0.000 0.307 161 V C 0.573 176.668 176.094 0.001 0.000 1.084 161 V CA 0.399 62.697 62.300 -0.003 0.000 1.155 161 V CB -0.015 31.805 31.823 -0.005 0.000 0.975 161 V HN 0.865 nan 8.190 nan 0.000 0.490 162 G N 2.861 111.665 108.800 0.005 0.000 2.495 162 G HA2 0.618 4.577 3.960 -0.001 0.000 0.294 162 G HA3 0.618 4.577 3.960 -0.001 0.000 0.294 162 G C -3.517 171.400 174.900 0.029 0.000 1.397 162 G CA -0.675 44.434 45.100 0.016 0.000 0.790 162 G HN 0.733 nan 8.290 nan 0.000 0.486 163 P HA 0.485 nan 4.420 nan 0.000 0.282 163 P C -0.667 176.702 177.300 0.115 0.000 1.249 163 P CA -0.222 62.921 63.100 0.071 0.000 0.806 163 P CB 1.820 33.561 31.700 0.069 0.000 0.984 164 S N 1.865 117.655 115.700 0.149 0.000 2.500 164 S HA 0.602 5.072 4.470 -0.001 0.000 0.301 164 S C -0.986 173.792 174.600 0.297 0.000 1.092 164 S CA -0.328 58.021 58.200 0.248 0.000 1.030 164 S CB 0.616 63.932 63.200 0.194 0.000 1.031 164 S HN 0.419 nan 8.310 nan 0.000 0.483 165 F N 3.431 123.468 119.950 0.145 0.000 2.495 165 F HA 0.714 5.241 4.527 -0.001 0.000 0.327 165 F C -1.214 174.620 175.800 0.057 0.000 1.103 165 F CA -1.102 56.934 58.000 0.060 0.000 0.949 165 F CB 0.666 39.669 39.000 0.004 0.000 1.142 165 F HN 0.436 nan 8.300 nan 0.000 0.457 166 I N 4.754 124.881 120.570 -0.739 0.000 2.478 166 I HA 0.238 4.408 4.170 -0.001 0.000 0.287 166 I C -0.546 174.942 176.117 -1.049 0.000 1.042 166 I CA -0.769 60.128 61.300 -0.671 0.000 1.067 166 I CB 1.909 39.758 38.000 -0.251 0.000 1.233 166 I HN 0.521 nan 8.210 nan 0.000 0.431 167 S N 6.999 122.174 115.700 -0.875 0.000 2.525 167 S HA 0.687 5.157 4.470 -0.001 0.000 0.278 167 S C -0.598 173.824 174.600 -0.297 0.000 1.234 167 S CA -0.410 57.462 58.200 -0.548 0.000 1.058 167 S CB 0.455 63.508 63.200 -0.246 0.000 0.983 167 S HN 0.474 nan 8.310 nan 0.000 0.495 168 L N 6.220 127.302 121.223 -0.235 0.000 2.454 168 L HA 0.391 4.731 4.340 -0.001 0.000 0.258 168 L C -2.532 174.287 176.870 -0.084 0.000 1.025 168 L CA -1.986 52.766 54.840 -0.148 0.000 0.901 168 L CB 1.685 43.650 42.059 -0.157 0.000 1.210 168 L HN 0.440 nan 8.230 nan 0.000 0.457 169 P HA -0.021 nan 4.420 nan 0.000 0.262 169 P C 1.167 178.460 177.300 -0.011 0.000 1.182 169 P CA 0.038 63.112 63.100 -0.043 0.000 0.761 169 P CB 1.109 32.782 31.700 -0.045 0.000 0.795 170 V N 3.332 123.246 119.914 0.000 0.000 2.469 170 V HA -0.249 3.871 4.120 -0.001 0.000 0.251 170 V C 1.962 178.076 176.094 0.034 0.000 1.064 170 V CA 2.424 64.741 62.300 0.028 0.000 1.066 170 V CB -1.057 30.785 31.823 0.032 0.000 0.667 170 V HN 0.665 nan 8.190 nan 0.000 0.461 171 D N 0.224 120.646 120.400 0.037 0.000 2.144 171 D HA -0.180 4.459 4.640 -0.001 0.000 0.200 171 D C 1.995 178.321 176.300 0.043 0.000 0.978 171 D CA 1.342 55.376 54.000 0.056 0.000 0.833 171 D CB -0.462 40.401 40.800 0.105 0.000 0.961 171 D HN 0.437 nan 8.370 nan 0.000 0.470 172 L N -0.501 120.742 121.223 0.034 0.000 2.131 172 L HA -0.029 4.310 4.340 -0.001 0.000 0.206 172 L C 2.577 179.465 176.870 0.029 0.000 1.087 172 L CA 0.206 55.063 54.840 0.029 0.000 0.767 172 L CB -0.357 41.712 42.059 0.018 0.000 0.917 172 L HN 0.038 nan 8.230 nan 0.000 0.441 173 L N 0.522 121.763 121.223 0.031 0.000 2.079 173 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 173 L C 2.050 178.938 176.870 0.030 0.000 1.081 173 L CA 1.898 56.763 54.840 0.043 0.000 0.752 173 L CB -0.838 41.262 42.059 0.070 0.000 0.896 173 L HN 0.138 nan 8.230 nan 0.000 0.433 174 G N -1.833 106.981 108.800 0.024 0.000 3.141 174 G HA2 0.054 4.014 3.960 -0.001 0.000 0.218 174 G HA3 0.054 4.014 3.960 -0.001 0.000 0.218 174 G C 0.480 175.387 174.900 0.012 0.000 1.170 174 G CA 0.496 45.603 45.100 0.012 0.000 0.769 174 G HN 0.365 nan 8.290 nan 0.000 0.546 175 S N -0.046 115.665 115.700 0.020 0.000 2.578 175 S HA 0.421 4.891 4.470 -0.001 0.000 0.283 175 S C 1.431 176.041 174.600 0.016 0.000 1.195 175 S CA 0.221 58.431 58.200 0.018 0.000 1.050 175 S CB 1.494 64.710 63.200 0.025 0.000 1.012 175 S HN 0.288 nan 8.310 nan 0.000 0.511 176 S N 2.259 117.962 115.700 0.006 0.000 2.540 176 S HA 0.204 4.673 4.470 -0.001 0.000 0.218 176 S C 0.375 174.975 174.600 0.000 0.000 0.977 176 S CA -0.387 57.812 58.200 -0.001 0.000 0.918 176 S CB -0.322 62.866 63.200 -0.019 0.000 0.806 176 S HN 0.842 nan 8.310 nan 0.000 0.496 177 E N 1.474 121.678 120.200 0.007 0.000 2.498 177 E HA 0.301 4.650 4.350 -0.001 0.000 0.252 177 E C 1.125 177.724 176.600 -0.002 0.000 1.025 177 E CA 0.832 57.232 56.400 -0.000 0.000 0.938 177 E CB -0.479 29.226 29.700 0.009 0.000 0.947 177 E HN 0.609 nan 8.360 nan 0.000 0.478 178 G N 4.298 113.067 108.800 -0.052 0.000 2.179 178 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.260 178 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.260 178 G C 0.220 175.069 174.900 -0.085 0.000 0.977 178 G CA 0.177 45.193 45.100 -0.140 0.000 0.641 178 G HN 0.573 nan 8.290 nan 0.000 0.533 179 I N 1.791 122.353 120.570 -0.013 0.000 2.331 179 I HA 0.605 4.775 4.170 -0.001 0.000 0.292 179 I C 0.555 176.659 176.117 -0.021 0.000 0.998 179 I CA 0.501 61.808 61.300 0.012 0.000 1.267 179 I CB 1.179 39.197 38.000 0.029 0.000 1.386 179 I HN 0.316 nan 8.210 nan 0.000 0.476 180 D N 3.382 123.773 120.400 -0.016 0.000 2.566 180 D HA 0.854 5.494 4.640 -0.001 0.000 0.254 180 D C -0.051 176.235 176.300 -0.024 0.000 1.090 180 D CA 0.104 54.087 54.000 -0.028 0.000 1.034 180 D CB 1.444 42.227 40.800 -0.028 0.000 1.434 180 D HN 0.676 nan 8.370 nan 0.000 0.509 185 N N 2.595 121.302 118.700 0.011 0.000 2.441 185 N HA 0.298 5.038 4.740 -0.001 0.000 0.251 185 N C -1.808 173.702 175.510 0.000 0.000 1.242 185 N CA -0.536 52.517 53.050 0.005 0.000 0.898 185 N CB 0.072 38.553 38.487 -0.010 0.000 1.100 185 N HN 0.317 nan 8.380 nan 0.000 0.443 186 P HA 0.244 nan 4.420 nan 0.000 0.271 186 P C -2.410 174.887 177.300 -0.005 0.000 1.244 186 P CA -0.779 62.323 63.100 0.004 0.000 0.793 186 P CB -0.569 31.137 31.700 0.011 0.000 0.984 187 P HA 0.067 nan 4.420 nan 0.000 0.268 187 P C 0.346 177.653 177.300 0.011 0.000 1.205 187 P CA 0.066 63.169 63.100 0.005 0.000 0.771 187 P CB 0.325 32.035 31.700 0.016 0.000 0.858 188 A N 3.184 126.005 122.820 0.002 0.000 1.898 188 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 188 A C 0.842 178.556 177.584 0.215 0.000 1.181 188 A CA 1.105 53.167 52.037 0.042 0.000 0.620 188 A CB -1.131 17.825 19.000 -0.073 0.000 0.819 188 A HN 0.656 nan 8.150 nan 0.000 0.442 189 N N -0.129 118.645 118.700 0.124 0.000 2.721 189 N HA -0.118 4.621 4.740 -0.001 0.000 0.249 189 N C -0.465 175.087 175.510 0.071 0.000 1.072 189 N CA 1.312 54.413 53.050 0.084 0.000 0.710 189 N CB -2.175 36.345 38.487 0.056 0.000 0.993 189 N HN 0.505 nan 8.380 nan 0.000 0.547 190 T N 1.840 116.453 114.554 0.098 0.000 2.908 190 T HA 0.162 4.511 4.350 -0.001 0.000 0.301 190 T C -1.784 172.910 174.700 -0.011 0.000 1.019 190 T CA -0.436 61.656 62.100 -0.014 0.000 1.152 190 T CB 0.521 69.400 68.868 0.017 0.000 0.966 190 T HN 0.067 nan 8.240 nan 0.000 0.540 191 P HA 0.167 nan 4.420 nan 0.000 0.265 191 P C 0.519 177.814 177.300 -0.009 0.000 1.193 191 P CA -0.196 62.892 63.100 -0.021 0.000 0.765 191 P CB 0.415 32.095 31.700 -0.033 0.000 0.823 192 A N 4.121 126.942 122.820 0.001 0.000 1.902 192 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 192 A C 0.931 178.520 177.584 0.008 0.000 1.181 192 A CA 1.585 53.627 52.037 0.009 0.000 0.623 192 A CB -0.580 18.427 19.000 0.012 0.000 0.818 192 A HN 0.686 nan 8.150 nan 0.000 0.443 193 K N -1.922 118.480 120.400 0.003 0.000 2.430 193 K HA 0.588 4.908 4.320 -0.001 0.000 0.268 193 K C -3.384 173.212 176.600 -0.006 0.000 1.043 193 K CA -2.256 54.034 56.287 0.004 0.000 0.899 193 K CB 0.674 33.180 32.500 0.009 0.000 1.472 193 K HN -0.213 nan 8.250 nan 0.000 0.451 194 P HA 0.016 nan 4.420 nan 0.000 0.267 194 P C -0.579 176.709 177.300 -0.021 0.000 1.205 194 P CA -0.398 62.694 63.100 -0.014 0.000 0.765 194 P CB 0.554 32.249 31.700 -0.008 0.000 0.828 195 V N 3.477 123.376 119.914 -0.026 0.000 2.655 195 V HA 0.369 4.489 4.120 -0.001 0.000 0.300 195 V C 1.211 177.285 176.094 -0.033 0.000 1.044 195 V CA 0.848 63.131 62.300 -0.028 0.000 1.095 195 V CB 0.276 32.083 31.823 -0.027 0.000 0.952 195 V HN 0.805 nan 8.190 nan 0.000 0.485 196 G N 2.730 111.503 108.800 -0.044 0.000 2.714 196 G HA2 0.717 4.677 3.960 -0.001 0.000 0.292 196 G HA3 0.717 4.677 3.960 -0.001 0.000 0.292 196 G C -0.724 174.141 174.900 -0.058 0.000 1.308 196 G CA -0.419 44.648 45.100 -0.054 0.000 0.964 196 G HN 0.935 nan 8.290 nan 0.000 0.484 197 V N -2.193 117.684 119.914 -0.062 0.000 2.716 197 V HA 0.829 4.949 4.120 -0.001 0.000 0.304 197 V C -0.430 175.605 176.094 -0.099 0.000 1.053 197 V CA -0.907 61.358 62.300 -0.059 0.000 0.984 197 V CB 1.470 33.271 31.823 -0.037 0.000 1.021 197 V HN 0.537 nan 8.190 nan 0.000 0.467 198 V N 2.907 122.773 119.914 -0.081 0.000 2.488 198 V HA 0.720 4.840 4.120 -0.001 0.000 0.293 198 V C 0.466 176.565 176.094 0.009 0.000 1.027 198 V CA -0.164 62.067 62.300 -0.115 0.000 0.862 198 V CB 1.271 33.015 31.823 -0.131 0.000 1.008 198 V HN 1.388 nan 8.190 nan 0.000 0.428 199 A N 2.982 125.831 122.820 0.048 0.000 2.440 199 A HA 0.439 4.759 4.320 -0.001 0.000 0.251 199 A C 0.138 177.846 177.584 0.208 0.000 1.089 199 A CA -0.102 51.999 52.037 0.106 0.000 0.779 199 A CB 0.105 19.158 19.000 0.088 0.000 1.022 199 A HN 0.952 nan 8.150 nan 0.000 0.492 200 D N 1.367 121.847 120.400 0.133 0.000 2.525 200 D HA 0.340 4.980 4.640 -0.001 0.000 0.235 200 D C 1.381 177.734 176.300 0.089 0.000 1.137 200 D CA 2.065 56.131 54.000 0.110 0.000 0.868 200 D CB 0.222 41.056 40.800 0.056 0.000 1.180 200 D HN 1.229 nan 8.370 nan 0.000 0.465 201 G N 3.493 112.307 108.800 0.024 0.000 2.136 201 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.242 201 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.242 201 G C 0.989 175.879 174.900 -0.017 0.000 0.989 201 G CA 0.486 45.563 45.100 -0.038 0.000 0.682 201 G HN 0.699 nan 8.290 nan 0.000 0.522 202 W N 0.011 121.290 121.300 -0.034 0.000 2.402 202 W HA -0.020 4.640 4.660 -0.000 0.000 0.286 202 W C 1.486 177.978 176.519 -0.045 0.000 1.221 202 W CA 1.293 58.619 57.345 -0.031 0.000 1.257 202 W CB -0.690 28.751 29.460 -0.031 0.000 1.120 202 W HN 0.397 nan 8.180 nan 0.000 0.551 203 Q N 1.585 120.766 119.800 -1.031 0.000 2.050 203 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 203 Q C 2.328 178.120 176.000 -0.346 0.000 0.980 203 Q CA 2.720 57.828 55.803 -1.158 0.000 0.840 203 Q CB -0.546 27.427 28.738 -1.274 0.000 0.898 203 Q HN 0.335 nan 8.270 nan 0.000 0.424 204 K N 0.325 120.599 120.400 -0.210 0.000 2.032 204 K HA -0.166 4.154 4.320 -0.001 0.000 0.209 204 K C 2.012 178.637 176.600 0.042 0.000 1.048 204 K CA 1.345 57.604 56.287 -0.046 0.000 0.927 204 K CB -0.272 32.203 32.500 -0.043 0.000 0.712 204 K HN 0.205 nan 8.250 nan 0.000 0.441 205 A N 0.969 123.825 122.820 0.060 0.000 1.908 205 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 205 A C 2.360 180.068 177.584 0.205 0.000 1.181 205 A CA 1.972 54.078 52.037 0.116 0.000 0.627 205 A CB -0.950 18.120 19.000 0.116 0.000 0.818 205 A HN 0.523 nan 8.150 nan 0.000 0.445 206 A N -0.008 122.995 122.820 0.304 0.000 1.933 206 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 206 A C 1.730 179.600 177.584 0.477 0.000 1.175 206 A CA 1.867 54.231 52.037 0.544 0.000 0.628 206 A CB -0.544 18.904 19.000 0.747 0.000 0.814 206 A HN 0.477 nan 8.150 nan 0.000 0.444 207 D N -0.371 120.214 120.400 0.309 0.000 2.144 207 D HA -0.132 4.508 4.640 -0.001 0.000 0.200 207 D C 2.138 178.549 176.300 0.185 0.000 0.978 207 D CA 1.321 55.443 54.000 0.204 0.000 0.833 207 D CB -0.400 40.477 40.800 0.129 0.000 0.961 207 D HN 0.639 nan 8.370 nan 0.000 0.470 208 Q N 0.325 120.230 119.800 0.175 0.000 2.119 208 Q HA -0.024 4.316 4.340 -0.001 0.000 0.201 208 Q C 2.203 178.322 176.000 0.197 0.000 0.972 208 Q CA 1.233 57.126 55.803 0.148 0.000 0.847 208 Q CB -0.061 28.741 28.738 0.106 0.000 0.903 208 Q HN 0.214 nan 8.270 nan 0.000 0.433 209 A N 1.176 124.162 122.820 0.278 0.000 1.902 209 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 209 A C 2.304 180.180 177.584 0.487 0.000 1.181 209 A CA 1.537 53.787 52.037 0.355 0.000 0.623 209 A CB -0.753 18.487 19.000 0.400 0.000 0.818 209 A HN 0.391 nan 8.150 nan 0.000 0.443 210 A N -0.236 122.884 122.820 0.499 0.000 1.933 210 A HA 0.174 4.494 4.320 -0.001 0.000 0.218 210 A C 2.433 180.201 177.584 0.307 0.000 1.175 210 A CA 1.979 54.155 52.037 0.230 0.000 0.628 210 A CB -0.834 18.099 19.000 -0.112 0.000 0.814 210 A HN 1.027 nan 8.150 nan 0.000 0.444 211 A N -0.469 122.492 122.820 0.236 0.000 1.968 211 A HA 0.106 4.426 4.320 -0.001 0.000 0.217 211 A C 2.106 179.774 177.584 0.141 0.000 1.169 211 A CA 1.164 53.305 52.037 0.174 0.000 0.638 211 A CB -0.452 18.618 19.000 0.117 0.000 0.812 211 A HN 0.459 nan 8.150 nan 0.000 0.446 212 L N -1.029 120.293 121.223 0.165 0.000 2.056 212 L HA -0.136 4.203 4.340 -0.001 0.000 0.207 212 L C 2.508 179.468 176.870 0.150 0.000 1.078 212 L CA 1.018 55.939 54.840 0.135 0.000 0.749 212 L CB -0.489 41.649 42.059 0.132 0.000 0.901 212 L HN 0.458 nan 8.230 nan 0.000 0.433 213 L N 0.339 121.709 121.223 0.244 0.000 2.083 213 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 213 L C 2.612 179.569 176.870 0.145 0.000 1.083 213 L CA 1.901 56.899 54.840 0.264 0.000 0.752 213 L CB -0.673 41.641 42.059 0.425 0.000 0.899 213 L HN 0.139 nan 8.230 nan 0.000 0.433 214 A N -0.770 122.092 122.820 0.070 0.000 1.902 214 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 214 A C 2.117 179.587 177.584 -0.189 0.000 1.181 214 A CA 1.774 53.622 52.037 -0.314 0.000 0.623 214 A CB -0.491 18.282 19.000 -0.377 0.000 0.818 214 A HN 0.578 nan 8.150 nan 0.000 0.443 215 E N 0.094 120.252 120.200 -0.070 0.000 2.230 215 E HA 0.144 4.494 4.350 -0.001 0.000 0.192 215 E C 1.022 177.601 176.600 -0.036 0.000 0.987 215 E CA 0.601 56.969 56.400 -0.052 0.000 0.841 215 E CB -0.427 29.263 29.700 -0.017 0.000 0.783 215 E HN 0.549 nan 8.360 nan 0.000 0.481 216 A N 1.852 124.669 122.820 -0.005 0.000 2.425 216 A HA 0.053 4.372 4.320 -0.001 0.000 0.249 216 A C 1.243 178.803 177.584 -0.039 0.000 1.084 216 A CA -0.022 52.020 52.037 0.008 0.000 0.781 216 A CB 0.696 19.732 19.000 0.061 0.000 1.019 216 A HN 0.010 nan 8.150 nan 0.000 0.490 217 K N 0.220 120.568 120.400 -0.086 0.000 2.067 217 K HA -0.024 4.296 4.320 -0.001 0.000 0.203 217 K C -0.285 176.117 176.600 -0.331 0.000 1.048 217 K CA 0.918 57.048 56.287 -0.262 0.000 0.954 217 K CB 0.018 32.301 32.500 -0.361 0.000 0.737 217 K HN 0.835 nan 8.250 nan 0.000 0.444 218 H N 0.673 119.801 119.070 0.096 0.000 2.488 218 H HA 0.294 4.850 4.556 -0.000 0.000 0.237 218 H C -2.602 172.817 175.328 0.152 0.000 1.395 218 H CA -2.293 53.846 56.048 0.152 0.000 1.491 218 H CB 1.273 31.156 29.762 0.202 0.000 1.567 218 H HN 0.243 nan 8.280 nan 0.000 0.508 219 P HA 0.232 nan 4.420 nan 0.000 0.278 219 P C -0.093 177.289 177.300 0.136 0.000 1.258 219 P CA -0.553 62.642 63.100 0.158 0.000 0.811 219 P CB 2.307 34.090 31.700 0.138 0.000 1.063 220 V N -1.379 118.594 119.914 0.099 0.000 3.007 220 V HA 0.565 4.684 4.120 -0.001 0.000 0.311 220 V C -0.718 175.386 176.094 0.016 0.000 1.120 220 V CA -1.164 61.165 62.300 0.048 0.000 0.980 220 V CB 1.787 33.678 31.823 0.113 0.000 1.033 220 V HN 0.257 nan 8.190 nan 0.000 0.429 221 L N 3.145 124.361 121.223 -0.011 0.000 2.272 221 L HA 0.613 4.952 4.340 -0.001 0.000 0.289 221 L C -0.486 176.385 176.870 0.002 0.000 1.032 221 L CA -0.726 54.107 54.840 -0.011 0.000 0.810 221 L CB 1.688 43.743 42.059 -0.008 0.000 1.205 221 L HN 0.550 nan 8.230 nan 0.000 0.422 222 V N 4.945 124.859 119.914 -0.001 0.000 2.333 222 V HA 0.275 4.395 4.120 -0.001 0.000 0.274 222 V C 0.147 176.271 176.094 0.050 0.000 1.028 222 V CA -0.522 61.806 62.300 0.047 0.000 0.851 222 V CB 1.583 33.424 31.823 0.030 0.000 1.000 222 V HN 0.421 nan 8.190 nan 0.000 0.456 223 V N 4.730 124.676 119.914 0.052 0.000 2.398 223 V HA 0.770 4.890 4.120 -0.001 0.000 0.286 223 V C 0.796 176.915 176.094 0.042 0.000 1.026 223 V CA -0.153 62.168 62.300 0.036 0.000 0.868 223 V CB 1.428 33.257 31.823 0.010 0.000 0.982 223 V HN 0.884 nan 8.190 nan 0.000 0.443 224 G N 2.360 111.180 108.800 0.033 0.000 2.601 224 G HA2 0.574 4.533 3.960 -0.001 0.000 0.317 224 G HA3 0.574 4.533 3.960 -0.001 0.000 0.317 224 G C 0.874 175.785 174.900 0.019 0.000 1.246 224 G CA -0.001 45.107 45.100 0.013 0.000 1.012 224 G HN 0.874 nan 8.290 nan 0.000 0.494 225 A N -0.622 122.223 122.820 0.041 0.000 2.015 225 A HA 0.243 4.562 4.320 -0.001 0.000 0.219 225 A C 2.611 180.245 177.584 0.084 0.000 1.163 225 A CA 2.202 54.302 52.037 0.105 0.000 0.646 225 A CB -0.704 18.420 19.000 0.208 0.000 0.806 225 A HN 1.291 nan 8.150 nan 0.000 0.448 226 A N 0.043 122.889 122.820 0.042 0.000 1.978 226 A HA 0.119 4.439 4.320 -0.001 0.000 0.220 226 A C 2.429 180.025 177.584 0.019 0.000 1.170 226 A CA 1.945 53.999 52.037 0.029 0.000 0.636 226 A CB -0.858 18.145 19.000 0.006 0.000 0.810 226 A HN 1.016 nan 8.150 nan 0.000 0.448 227 A N 0.141 122.968 122.820 0.011 0.000 1.908 227 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 227 A C 2.095 179.673 177.584 -0.011 0.000 1.181 227 A CA 1.609 53.647 52.037 0.002 0.000 0.627 227 A CB -0.596 18.403 19.000 -0.001 0.000 0.818 227 A HN 0.523 nan 8.150 nan 0.000 0.445 228 I N -0.961 119.591 120.570 -0.030 0.000 2.202 228 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 228 I C 2.698 178.824 176.117 0.016 0.000 1.091 228 I CA 1.291 62.548 61.300 -0.072 0.000 1.368 228 I CB -0.375 37.464 38.000 -0.267 0.000 1.058 228 I HN 0.254 nan 8.210 nan 0.000 0.410 229 R N 0.035 120.581 120.500 0.077 0.000 2.120 229 R HA -0.138 4.201 4.340 -0.001 0.000 0.234 229 R C 2.419 178.744 176.300 0.041 0.000 1.123 229 R CA 1.452 57.603 56.100 0.085 0.000 0.975 229 R CB -0.445 29.904 30.300 0.080 0.000 0.866 229 R HN 0.245 nan 8.270 nan 0.000 0.446 230 S N -0.452 115.261 115.700 0.022 0.000 2.515 230 S HA -0.011 4.459 4.470 -0.001 0.000 0.231 230 S C 1.141 175.747 174.600 0.010 0.000 0.987 230 S CA 0.895 59.100 58.200 0.009 0.000 0.936 230 S CB -0.059 63.142 63.200 0.001 0.000 0.766 230 S HN 0.644 nan 8.310 nan 0.000 0.528 231 G N 0.164 108.970 108.800 0.010 0.000 2.182 231 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.248 231 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.248 231 G C 0.443 175.344 174.900 0.002 0.000 1.042 231 G CA 0.219 45.323 45.100 0.006 0.000 0.775 231 G HN 0.913 nan 8.290 nan 0.000 0.501 232 A N -0.934 121.885 122.820 -0.002 0.000 2.308 232 A HA 0.636 4.955 4.320 -0.001 0.000 0.217 232 A C 2.179 179.758 177.584 -0.007 0.000 1.216 232 A CA 1.359 53.398 52.037 0.004 0.000 0.864 232 A CB 0.169 19.180 19.000 0.019 0.000 0.902 232 A HN 0.913 nan 8.150 nan 0.000 0.499 233 V N 1.152 121.051 119.914 -0.026 0.000 2.237 233 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 233 V C -0.087 175.993 176.094 -0.025 0.000 1.046 233 V CA 2.657 64.934 62.300 -0.039 0.000 1.007 233 V CB -1.346 30.438 31.823 -0.066 0.000 0.638 233 V HN 0.375 nan 8.190 nan 0.000 0.445 234 P HA -0.163 nan 4.420 nan 0.000 0.215 234 P C 1.620 178.919 177.300 -0.000 0.000 1.153 234 P CA 2.082 65.180 63.100 -0.004 0.000 0.853 234 P CB -0.173 31.527 31.700 0.001 0.000 0.788 235 A N -1.011 121.810 122.820 0.002 0.000 1.930 235 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 235 A C 2.219 179.807 177.584 0.007 0.000 1.175 235 A CA 1.268 53.309 52.037 0.006 0.000 0.627 235 A CB -1.506 17.500 19.000 0.009 0.000 0.815 235 A HN 0.119 nan 8.150 nan 0.000 0.443 236 I N -1.043 119.530 120.570 0.004 0.000 2.252 236 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 236 I C 2.679 178.789 176.117 -0.011 0.000 1.102 236 I CA 1.485 62.788 61.300 0.005 0.000 1.385 236 I CB -0.254 37.745 38.000 -0.001 0.000 1.064 236 I HN 0.380 nan 8.210 nan 0.000 0.414 237 R N 1.366 121.851 120.500 -0.026 0.000 2.073 237 R HA -0.202 4.138 4.340 -0.001 0.000 0.234 237 R C 2.355 178.654 176.300 -0.001 0.000 1.134 237 R CA 1.772 57.849 56.100 -0.040 0.000 0.952 237 R CB -0.312 29.967 30.300 -0.035 0.000 0.850 237 R HN 0.337 nan 8.270 nan 0.000 0.433 238 A N 1.251 124.078 122.820 0.011 0.000 1.902 238 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 238 A C 2.079 179.674 177.584 0.019 0.000 1.181 238 A CA 1.412 53.461 52.037 0.020 0.000 0.623 238 A CB -0.647 18.360 19.000 0.012 0.000 0.818 238 A HN 0.428 nan 8.150 nan 0.000 0.443 239 L N -0.210 121.024 121.223 0.018 0.000 1.994 239 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 239 L C 2.672 179.565 176.870 0.039 0.000 1.071 239 L CA 2.372 57.231 54.840 0.031 0.000 0.745 239 L CB -0.816 41.278 42.059 0.059 0.000 0.892 239 L HN 0.329 nan 8.230 nan 0.000 0.431 240 A N -0.764 122.070 122.820 0.024 0.000 1.908 240 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 240 A C 2.180 179.779 177.584 0.026 0.000 1.181 240 A CA 2.012 54.053 52.037 0.008 0.000 0.627 240 A CB -0.719 18.253 19.000 -0.047 0.000 0.818 240 A HN 0.649 nan 8.150 nan 0.000 0.445 241 E N -1.108 119.119 120.200 0.045 0.000 2.106 241 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 241 E C 2.293 178.927 176.600 0.056 0.000 0.984 241 E CA 1.012 57.462 56.400 0.083 0.000 0.806 241 E CB -0.115 29.652 29.700 0.112 0.000 0.750 241 E HN 0.611 nan 8.360 nan 0.000 0.458 242 R N 0.560 121.084 120.500 0.040 0.000 2.090 242 R HA -0.027 4.313 4.340 -0.001 0.000 0.228 242 R C 1.778 178.101 176.300 0.039 0.000 1.110 242 R CA 0.885 57.004 56.100 0.031 0.000 0.973 242 R CB 0.117 30.426 30.300 0.015 0.000 0.869 242 R HN 0.150 nan 8.270 nan 0.000 0.440 243 L N 0.360 121.612 121.223 0.047 0.000 2.640 243 L HA 0.138 4.478 4.340 -0.001 0.000 0.230 243 L C 0.130 177.034 176.870 0.057 0.000 1.123 243 L CA -0.208 54.670 54.840 0.064 0.000 0.900 243 L CB 0.053 42.164 42.059 0.087 0.000 1.146 243 L HN 0.282 nan 8.230 nan 0.000 0.484 244 N N 1.403 120.129 118.700 0.044 0.000 2.738 244 N HA -0.215 4.524 4.740 -0.001 0.000 0.249 244 N C -0.579 174.931 175.510 -0.000 0.000 1.047 244 N CA 0.500 53.569 53.050 0.031 0.000 0.707 244 N CB -1.175 37.337 38.487 0.041 0.000 0.937 244 N HN 0.322 nan 8.380 nan 0.000 0.545 245 I N 0.516 121.078 120.570 -0.015 0.000 2.321 245 I HA 0.338 4.507 4.170 -0.001 0.000 0.291 245 I C -1.873 174.141 176.117 -0.172 0.000 0.998 245 I CA -2.078 59.190 61.300 -0.054 0.000 1.227 245 I CB 1.381 39.390 38.000 0.015 0.000 1.368 245 I HN -0.016 nan 8.210 nan 0.000 0.466 246 P HA 0.031 nan 4.420 nan 0.000 0.266 246 P C -0.720 176.363 177.300 -0.362 0.000 1.195 246 P CA -0.082 62.615 63.100 -0.672 0.000 0.768 246 P CB 0.597 31.421 31.700 -1.461 0.000 0.838 247 V N 5.261 125.009 119.914 -0.276 0.000 2.334 247 V HA 0.332 4.452 4.120 -0.001 0.000 0.281 247 V C 0.407 176.472 176.094 -0.048 0.000 1.016 247 V CA -0.286 61.940 62.300 -0.124 0.000 0.832 247 V CB 0.688 32.445 31.823 -0.111 0.000 0.999 247 V HN 0.405 nan 8.190 nan 0.000 0.439 248 I N 4.599 125.170 120.570 0.002 0.000 2.525 248 I HA 0.648 4.817 4.170 -0.001 0.000 0.301 248 I C 0.517 176.687 176.117 0.090 0.000 0.992 248 I CA -0.080 61.262 61.300 0.070 0.000 1.162 248 I CB 2.367 40.429 38.000 0.103 0.000 1.332 248 I HN 0.743 nan 8.210 nan 0.000 0.458 249 T N -0.044 114.574 114.554 0.107 0.000 2.916 249 T HA 0.551 4.901 4.350 -0.001 0.000 0.292 249 T C 0.004 174.791 174.700 0.144 0.000 1.064 249 T CA -0.772 61.392 62.100 0.106 0.000 1.011 249 T CB 1.602 70.519 68.868 0.083 0.000 1.152 249 T HN 0.660 nan 8.240 nan 0.000 0.510 250 T N -0.093 114.529 114.554 0.114 0.000 2.698 250 T HA 0.212 4.562 4.350 -0.001 0.000 0.295 250 T C 0.937 175.766 174.700 0.215 0.000 1.007 250 T CA -0.411 61.741 62.100 0.088 0.000 0.980 250 T CB -0.098 68.750 68.868 -0.033 0.000 1.036 250 T HN 0.530 nan 8.240 nan 0.000 0.526 251 Y N 0.712 121.094 120.300 0.136 0.000 2.081 251 Y HA -0.048 4.502 4.550 -0.000 0.000 0.280 251 Y C 2.435 178.499 175.900 0.274 0.000 1.163 251 Y CA 1.053 59.274 58.100 0.202 0.000 1.135 251 Y CB -1.360 37.217 38.460 0.195 0.000 0.970 251 Y HN 0.692 nan 8.280 nan 0.000 0.498 252 I N -2.789 117.996 120.570 0.358 0.000 3.728 252 I HA 0.345 4.515 4.170 -0.001 0.000 0.307 252 I C 1.877 178.163 176.117 0.282 0.000 1.276 252 I CA 0.894 62.407 61.300 0.355 0.000 1.285 252 I CB -0.416 37.785 38.000 0.335 0.000 1.038 252 I HN -0.004 nan 8.210 nan 0.000 0.445 253 A N 1.056 123.980 122.820 0.174 0.000 2.238 253 A HA 0.147 4.466 4.320 -0.001 0.000 0.208 253 A C 0.996 178.614 177.584 0.058 0.000 1.177 253 A CA -0.065 52.007 52.037 0.058 0.000 0.804 253 A CB -0.474 18.550 19.000 0.041 0.000 0.823 253 A HN 0.378 nan 8.150 nan 0.000 0.482 254 K N -0.614 119.867 120.400 0.136 0.000 2.489 254 K HA 0.317 4.637 4.320 -0.001 0.000 0.278 254 K C 1.190 177.835 176.600 0.074 0.000 1.000 254 K CA 0.941 57.295 56.287 0.112 0.000 1.012 254 K CB 0.138 32.733 32.500 0.159 0.000 0.903 254 K HN 0.569 nan 8.250 nan 0.000 0.485 255 G N 0.794 109.617 108.800 0.039 0.000 2.175 255 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.244 255 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.244 255 G C 0.701 175.585 174.900 -0.027 0.000 0.982 255 G CA 0.280 45.391 45.100 0.018 0.000 0.641 255 G HN 0.546 nan 8.290 nan 0.000 0.527 256 V N -1.789 118.095 119.914 -0.049 0.000 2.720 256 V HA 0.393 4.513 4.120 -0.001 0.000 0.256 256 V C 1.294 177.347 176.094 -0.068 0.000 1.082 256 V CA 1.560 63.816 62.300 -0.074 0.000 1.101 256 V CB -0.343 31.433 31.823 -0.079 0.000 0.693 256 V HN 0.459 nan 8.190 nan 0.000 0.479 257 L N 0.255 121.440 121.223 -0.065 0.000 2.333 257 L HA 0.590 4.930 4.340 -0.001 0.000 0.269 257 L C -2.528 174.350 176.870 0.013 0.000 1.010 257 L CA -2.271 52.524 54.840 -0.076 0.000 0.818 257 L CB 2.014 43.949 42.059 -0.207 0.000 1.306 257 L HN -0.047 nan 8.230 nan 0.000 0.430 258 P HA 0.031 nan 4.420 nan 0.000 0.269 258 P C -0.580 176.776 177.300 0.093 0.000 1.215 258 P CA -0.382 62.768 63.100 0.085 0.000 0.780 258 P CB 0.445 32.208 31.700 0.105 0.000 0.898 259 V N 2.124 122.078 119.914 0.067 0.000 2.644 259 V HA 0.188 4.308 4.120 -0.001 0.000 0.305 259 V C 1.754 177.889 176.094 0.068 0.000 1.053 259 V CA 2.007 64.344 62.300 0.061 0.000 1.186 259 V CB -0.642 31.209 31.823 0.046 0.000 0.895 259 V HN 1.056 nan 8.190 nan 0.000 0.490 260 G N 2.653 111.495 108.800 0.069 0.000 2.217 260 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.246 260 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.246 260 G C 0.353 175.299 174.900 0.078 0.000 0.990 260 G CA 0.262 45.395 45.100 0.057 0.000 0.627 260 G HN 0.947 nan 8.290 nan 0.000 0.522 261 H N 2.302 121.388 119.070 0.026 0.000 2.964 261 H HA 0.202 4.757 4.556 -0.001 0.000 0.328 261 H C 1.907 177.264 175.328 0.048 0.000 1.030 261 H CA 1.033 57.100 56.048 0.031 0.000 1.445 261 H CB 0.756 30.536 29.762 0.029 0.000 1.449 261 H HN 0.675 nan 8.280 nan 0.000 0.581 262 E N 4.321 124.636 120.200 0.192 0.000 2.265 262 E HA -0.114 4.236 4.350 -0.001 0.000 0.196 262 E C 1.005 177.807 176.600 0.337 0.000 0.996 262 E CA 0.839 57.358 56.400 0.198 0.000 0.832 262 E CB 0.050 29.802 29.700 0.088 0.000 0.756 262 E HN 0.600 nan 8.360 nan 0.000 0.491 263 L N 0.847 122.343 121.223 0.455 0.000 2.592 263 L HA 0.122 4.462 4.340 -0.001 0.000 0.227 263 L C 0.969 177.908 176.870 0.115 0.000 1.127 263 L CA -0.353 54.590 54.840 0.171 0.000 0.884 263 L CB -0.239 41.812 42.059 -0.012 0.000 1.065 263 L HN 0.040 nan 8.230 nan 0.000 0.457 264 N N 0.269 119.078 118.700 0.181 0.000 2.605 264 N HA -0.087 4.653 4.740 -0.001 0.000 0.282 264 N C 0.413 176.062 175.510 0.232 0.000 1.206 264 N CA 0.146 53.273 53.050 0.130 0.000 1.074 264 N CB 0.107 38.656 38.487 0.104 0.000 1.434 264 N HN 0.061 nan 8.380 nan 0.000 0.506 265 Y N 1.462 121.734 120.300 -0.047 0.000 2.529 265 Y HA 0.217 4.767 4.550 -0.000 0.000 0.290 265 Y C 1.772 177.635 175.900 -0.062 0.000 1.177 265 Y CA 0.308 58.370 58.100 -0.062 0.000 1.305 265 Y CB -0.430 37.977 38.460 -0.088 0.000 1.047 265 Y HN 0.582 nan 8.280 nan 0.000 0.522 266 G N -0.148 108.703 108.800 0.084 0.000 2.757 266 G HA2 0.115 4.075 3.960 -0.001 0.000 0.638 266 G HA3 0.115 4.075 3.960 -0.001 0.000 0.638 266 G C -0.485 174.438 174.900 0.038 0.000 1.344 266 G CA -0.731 44.381 45.100 0.019 0.000 0.855 266 G HN 0.533 nan 8.290 nan 0.000 0.537 267 A N -1.128 121.704 122.820 0.019 0.000 2.269 267 A HA 0.869 5.189 4.320 -0.001 0.000 0.319 267 A C 0.264 177.903 177.584 0.093 0.000 1.110 267 A CA 0.097 52.182 52.037 0.082 0.000 0.847 267 A CB 1.535 20.595 19.000 0.100 0.000 1.161 267 A HN 1.912 nan 8.150 nan 0.000 0.497 268 V N 0.471 120.500 119.914 0.193 0.000 2.581 268 V HA 0.722 4.841 4.120 -0.001 0.000 0.303 268 V C 0.302 176.582 176.094 0.310 0.000 1.041 268 V CA -0.132 62.306 62.300 0.230 0.000 0.907 268 V CB 1.596 33.614 31.823 0.325 0.000 0.994 268 V HN 1.057 nan 8.190 nan 0.000 0.442 269 T N 1.986 116.691 114.554 0.251 0.000 2.933 269 T HA 0.498 4.848 4.350 -0.001 0.000 0.305 269 T C 1.154 175.976 174.700 0.204 0.000 1.092 269 T CA 0.257 62.561 62.100 0.341 0.000 1.008 269 T CB 1.688 70.750 68.868 0.323 0.000 1.102 269 T HN 0.875 nan 8.240 nan 0.000 0.469 270 G N 1.622 110.517 108.800 0.159 0.000 2.516 270 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.221 270 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.221 270 G C 0.701 175.558 174.900 -0.071 0.000 1.107 270 G CA 0.832 45.929 45.100 -0.005 0.000 0.747 270 G HN 0.819 nan 8.290 nan 0.000 0.567 271 Y N 0.499 120.783 120.300 -0.028 0.000 2.546 271 Y HA 0.139 4.689 4.550 -0.000 0.000 0.287 271 Y C 2.858 178.762 175.900 0.007 0.000 1.158 271 Y CA 0.659 58.808 58.100 0.082 0.000 1.307 271 Y CB -0.137 38.281 38.460 -0.070 0.000 1.036 271 Y HN 0.280 nan 8.280 nan 0.000 0.532 272 M N -1.324 118.306 119.600 0.051 0.000 2.175 272 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 272 M C 0.829 177.055 176.300 -0.122 0.000 1.063 272 M CA 1.909 57.157 55.300 -0.085 0.000 1.119 272 M CB -0.355 32.191 32.600 -0.089 0.000 1.377 272 M HN -0.045 nan 8.290 nan 0.000 0.415 273 D N 1.396 121.733 120.400 -0.105 0.000 2.117 273 D HA -0.031 4.609 4.640 -0.001 0.000 0.198 273 D C 2.310 178.460 176.300 -0.250 0.000 0.982 273 D CA 1.834 55.762 54.000 -0.120 0.000 0.828 273 D CB -0.560 40.172 40.800 -0.115 0.000 0.967 273 D HN 0.605 nan 8.370 nan 0.000 0.464 274 G N 0.309 108.783 108.800 -0.543 0.000 2.403 274 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.216 274 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.216 274 G C 1.738 176.393 174.900 -0.408 0.000 1.154 274 G CA 0.130 44.600 45.100 -1.051 0.000 0.784 274 G HN 0.248 nan 8.290 nan 0.000 0.538 275 I N 0.179 120.669 120.570 -0.133 0.000 2.353 275 I HA -0.017 4.153 4.170 -0.001 0.000 0.248 275 I C 2.257 178.293 176.117 -0.135 0.000 1.119 275 I CA 0.751 62.035 61.300 -0.027 0.000 1.417 275 I CB 0.014 37.804 38.000 -0.350 0.000 1.078 275 I HN 0.103 nan 8.210 nan 0.000 0.421 276 L N -0.085 121.002 121.223 -0.227 0.000 2.567 276 L HA 0.082 4.422 4.340 -0.001 0.000 0.225 276 L C 0.507 177.470 176.870 0.154 0.000 1.119 276 L CA -0.081 54.623 54.840 -0.226 0.000 0.871 276 L CB -0.514 41.368 42.059 -0.295 0.000 1.036 276 L HN 0.314 nan 8.230 nan 0.000 0.459 277 N N 0.953 119.718 118.700 0.108 0.000 2.678 277 N HA -0.303 4.437 4.740 -0.001 0.000 0.268 277 N C -0.827 174.803 175.510 0.200 0.000 1.010 277 N CA 0.544 53.666 53.050 0.120 0.000 0.784 277 N CB -0.898 37.682 38.487 0.155 0.000 0.905 277 N HN 0.299 nan 8.380 nan 0.000 0.552 278 F N 0.529 120.458 119.950 -0.035 0.000 2.665 278 F HA 0.466 4.993 4.527 -0.000 0.000 0.308 278 F C -2.281 173.488 175.800 -0.051 0.000 1.112 278 F CA -1.726 56.258 58.000 -0.027 0.000 0.972 278 F CB 1.819 40.806 39.000 -0.022 0.000 1.295 278 F HN 0.009 nan 8.300 nan 0.000 0.440 279 P HA 0.202 nan 4.420 nan 0.000 0.230 279 P C -0.292 177.039 177.300 0.051 0.000 1.791 279 P CA 0.315 63.300 63.100 -0.193 0.000 1.020 279 P CB 0.544 32.058 31.700 -0.310 0.000 1.977 280 A N 2.541 125.515 122.820 0.257 0.000 1.898 280 A HA -0.059 4.261 4.320 -0.001 0.000 0.214 280 A C 2.102 179.767 177.584 0.136 0.000 1.183 280 A CA 0.834 53.039 52.037 0.280 0.000 0.622 280 A CB -1.021 18.071 19.000 0.152 0.000 0.824 280 A HN 0.328 nan 8.150 nan 0.000 0.444 281 L N -0.561 120.738 121.223 0.126 0.000 2.042 281 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 281 L C 2.928 179.921 176.870 0.205 0.000 1.076 281 L CA 1.291 56.253 54.840 0.203 0.000 0.749 281 L CB -0.540 41.634 42.059 0.191 0.000 0.893 281 L HN 0.392 nan 8.230 nan 0.000 0.432 282 Q N -0.442 119.426 119.800 0.114 0.000 2.050 282 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 282 Q C 2.267 178.298 176.000 0.051 0.000 0.980 282 Q CA 2.173 58.022 55.803 0.077 0.000 0.840 282 Q CB -0.631 28.114 28.738 0.011 0.000 0.898 282 Q HN 0.498 nan 8.270 nan 0.000 0.424 283 T N 1.307 115.893 114.554 0.053 0.000 2.746 283 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 283 T C 1.816 176.511 174.700 -0.008 0.000 1.039 283 T CA 1.545 63.676 62.100 0.051 0.000 1.142 283 T CB -0.179 68.791 68.868 0.170 0.000 0.866 283 T HN 0.136 nan 8.240 nan 0.000 0.444 284 M N -0.160 119.406 119.600 -0.058 0.000 2.229 284 M HA 0.116 4.596 4.480 -0.001 0.000 0.264 284 M C 0.736 176.760 176.300 -0.460 0.000 1.063 284 M CA 1.644 56.784 55.300 -0.266 0.000 1.114 284 M CB -0.116 32.200 32.600 -0.473 0.000 1.387 284 M HN 0.206 nan 8.290 nan 0.000 0.420 285 F N -2.085 117.865 119.950 -0.001 0.000 2.819 285 F HA 0.467 4.994 4.527 -0.001 0.000 0.325 285 F C 1.984 177.743 175.800 -0.068 0.000 1.041 285 F CA 0.122 58.109 58.000 -0.021 0.000 1.184 285 F CB -1.050 38.008 39.000 0.097 0.000 1.019 285 F HN 0.066 nan 8.300 nan 0.000 0.590 286 A N 1.652 124.524 122.820 0.087 0.000 1.903 286 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 286 A C -0.434 177.158 177.584 0.013 0.000 1.191 286 A CA 2.214 54.280 52.037 0.047 0.000 0.638 286 A CB -2.031 16.980 19.000 0.018 0.000 0.823 286 A HN 0.210 nan 8.150 nan 0.000 0.451 287 P HA 0.161 nan 4.420 nan 0.000 0.249 287 P C -0.063 177.260 177.300 0.037 0.000 1.229 287 P CA 0.214 63.298 63.100 -0.026 0.000 0.788 287 P CB -0.110 31.516 31.700 -0.124 0.000 1.072 288 V N 3.166 123.073 119.914 -0.010 0.000 2.572 288 V HA 0.023 4.143 4.120 -0.001 0.000 0.291 288 V C 1.397 177.572 176.094 0.135 0.000 1.039 288 V CA 0.691 63.053 62.300 0.103 0.000 1.055 288 V CB 0.723 32.632 31.823 0.145 0.000 0.969 288 V HN 0.163 nan 8.190 nan 0.000 0.482 289 D N 2.975 123.462 120.400 0.145 0.000 2.441 289 D HA 0.162 4.802 4.640 -0.001 0.000 0.210 289 D C -0.095 176.255 176.300 0.083 0.000 1.102 289 D CA -0.101 53.961 54.000 0.103 0.000 0.840 289 D CB 0.634 41.485 40.800 0.085 0.000 0.990 289 D HN 0.322 nan 8.370 nan 0.000 0.505 290 L N 1.106 122.380 121.223 0.086 0.000 2.482 290 L HA 0.457 4.797 4.340 -0.001 0.000 0.269 290 L C -1.735 175.140 176.870 0.008 0.000 0.967 290 L CA -0.900 53.972 54.840 0.053 0.000 0.851 290 L CB 2.186 44.295 42.059 0.082 0.000 1.242 290 L HN -0.189 nan 8.230 nan 0.000 0.404 291 V N 6.488 126.342 119.914 -0.101 0.000 2.347 291 V HA 0.448 4.567 4.120 -0.001 0.000 0.280 291 V C -0.253 175.693 176.094 -0.247 0.000 1.021 291 V CA -0.364 61.782 62.300 -0.257 0.000 0.847 291 V CB 1.457 32.869 31.823 -0.684 0.000 0.990 291 V HN 0.569 nan 8.190 nan 0.000 0.444 292 L N 5.251 126.373 121.223 -0.169 0.000 2.283 292 L HA 0.389 4.729 4.340 -0.001 0.000 0.281 292 L C 0.731 177.501 176.870 -0.165 0.000 1.033 292 L CA -0.137 54.615 54.840 -0.146 0.000 0.848 292 L CB 1.482 43.496 42.059 -0.074 0.000 1.226 292 L HN 0.765 nan 8.230 nan 0.000 0.429 293 T N 0.230 114.666 114.554 -0.197 0.000 2.863 293 T HA 0.405 4.754 4.350 -0.001 0.000 0.299 293 T C 0.043 174.737 174.700 -0.011 0.000 0.973 293 T CA -0.659 61.387 62.100 -0.091 0.000 0.994 293 T CB 0.228 69.027 68.868 -0.115 0.000 0.961 293 T HN 0.121 nan 8.240 nan 0.000 0.552 294 V N 3.831 123.738 119.914 -0.012 0.000 2.368 294 V HA 0.594 4.713 4.120 -0.001 0.000 0.266 294 V C 1.386 177.489 176.094 0.014 0.000 1.045 294 V CA 0.098 62.378 62.300 -0.033 0.000 0.899 294 V CB 0.103 31.925 31.823 -0.001 0.000 1.006 294 V HN 1.295 nan 8.190 nan 0.000 0.470 295 G N 3.987 112.787 108.800 -0.000 0.000 2.298 295 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.287 295 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.287 295 G C -0.248 174.688 174.900 0.060 0.000 1.075 295 G CA 0.023 45.134 45.100 0.018 0.000 0.960 295 G HN 0.900 nan 8.290 nan 0.000 0.502 296 Y N 0.870 121.175 120.300 0.008 0.000 2.497 296 Y HA 0.483 5.033 4.550 -0.000 0.000 0.334 296 Y C 0.174 176.126 175.900 0.086 0.000 1.199 296 Y CA 0.139 58.281 58.100 0.069 0.000 1.425 296 Y CB 1.221 39.773 38.460 0.154 0.000 1.291 296 Y HN 0.239 nan 8.280 nan 0.000 0.562 297 D N 4.691 124.613 120.400 -0.798 0.000 2.613 297 D HA 0.016 4.656 4.640 -0.001 0.000 0.230 297 D C -0.178 175.765 176.300 -0.596 0.000 1.365 297 D CA -0.496 53.223 54.000 -0.468 0.000 0.976 297 D CB 0.241 40.914 40.800 -0.212 0.000 1.415 297 D HN 0.567 nan 8.370 nan 0.000 0.589 298 Y N 3.633 123.651 120.300 -0.470 0.000 2.241 298 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 298 Y C 1.962 177.763 175.900 -0.165 0.000 1.166 298 Y CA 2.231 60.209 58.100 -0.202 0.000 1.203 298 Y CB -0.201 38.286 38.460 0.045 0.000 0.977 298 Y HN 0.542 nan 8.280 nan 0.000 0.529 299 A N 0.022 122.774 122.820 -0.113 0.000 1.940 299 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 299 A C 2.074 179.527 177.584 -0.219 0.000 1.176 299 A CA 1.845 53.785 52.037 -0.161 0.000 0.631 299 A CB -0.683 18.264 19.000 -0.090 0.000 0.814 299 A HN 0.616 nan 8.150 nan 0.000 0.446 300 E N -1.630 118.422 120.200 -0.247 0.000 2.333 300 E HA -0.144 4.206 4.350 -0.001 0.000 0.198 300 E C 0.273 176.635 176.600 -0.396 0.000 1.007 300 E CA 0.597 56.811 56.400 -0.309 0.000 0.845 300 E CB -0.082 29.450 29.700 -0.280 0.000 0.766 300 E HN 0.550 nan 8.360 nan 0.000 0.507 301 D N -0.982 119.228 120.400 -0.316 0.000 3.070 301 D HA -0.162 4.478 4.640 -0.001 0.000 0.210 301 D C -0.915 175.306 176.300 -0.132 0.000 1.103 301 D CA 0.256 54.102 54.000 -0.258 0.000 0.980 301 D CB -0.952 39.745 40.800 -0.171 0.000 1.100 301 D HN 0.077 nan 8.370 nan 0.000 0.423 302 L N 1.813 122.988 121.223 -0.080 0.000 2.312 302 L HA 0.402 4.742 4.340 -0.001 0.000 0.287 302 L C 0.158 177.155 176.870 0.212 0.000 1.091 302 L CA 0.181 55.083 54.840 0.103 0.000 0.846 302 L CB 0.077 42.244 42.059 0.181 0.000 1.219 302 L HN 0.007 nan 8.230 nan 0.000 0.439 303 R N 5.404 125.941 120.500 0.062 0.000 2.598 303 R HA 0.425 4.765 4.340 -0.001 0.000 0.279 303 R C -1.766 174.196 176.300 -0.563 0.000 0.984 303 R CA -1.773 54.318 56.100 -0.015 0.000 0.999 303 R CB 0.396 30.697 30.300 0.003 0.000 1.114 303 R HN 0.313 nan 8.270 nan 0.000 0.493 304 P HA -0.261 nan 4.420 nan 0.000 0.216 304 P C 1.353 177.808 177.300 -1.409 0.000 1.154 304 P CA 1.781 63.648 63.100 -2.055 0.000 0.865 304 P CB 0.126 31.147 31.700 -1.133 0.000 0.789 305 S N -1.532 113.750 115.700 -0.696 0.000 2.419 305 S HA -0.205 4.264 4.470 -0.001 0.000 0.235 305 S C 1.886 176.256 174.600 -0.383 0.000 1.019 305 S CA 1.426 59.364 58.200 -0.437 0.000 0.982 305 S CB -1.387 61.666 63.200 -0.246 0.000 0.789 305 S HN 0.082 nan 8.310 nan 0.000 0.490 306 M N 0.125 119.494 119.600 -0.384 0.000 2.229 306 M HA 0.067 4.547 4.480 -0.001 0.000 0.264 306 M C 1.914 178.057 176.300 -0.261 0.000 1.063 306 M CA 1.538 56.717 55.300 -0.201 0.000 1.114 306 M CB -0.398 32.169 32.600 -0.055 0.000 1.387 306 M HN 0.810 nan 8.290 nan 0.000 0.420 307 W N -0.217 120.748 121.300 -0.558 0.000 3.278 307 W HA 0.231 4.890 4.660 -0.001 0.000 0.308 307 W C 0.018 176.245 176.519 -0.486 0.000 1.253 307 W CA -0.357 56.338 57.345 -1.083 0.000 1.759 307 W CB -0.706 27.873 29.460 -1.468 0.000 1.093 307 W HN -0.005 nan 8.180 nan 0.000 0.648 308 Q N 2.625 122.223 119.800 -0.338 0.000 3.026 308 Q HA 0.143 4.483 4.340 -0.001 0.000 0.258 308 Q C -0.435 175.535 176.000 -0.049 0.000 1.388 308 Q CA 0.381 56.094 55.803 -0.150 0.000 1.000 308 Q CB 0.008 28.595 28.738 -0.252 0.000 1.634 308 Q HN -0.107 nan 8.270 nan 0.000 0.571 309 K N 0.437 120.861 120.400 0.040 0.000 2.427 309 K HA 0.584 4.903 4.320 -0.001 0.000 0.252 309 K C 0.414 177.061 176.600 0.078 0.000 0.931 309 K CA -0.088 56.239 56.287 0.067 0.000 0.793 309 K CB 1.989 34.570 32.500 0.136 0.000 1.211 309 K HN 0.481 nan 8.250 nan 0.000 0.426 310 G N 2.695 111.523 108.800 0.048 0.000 2.561 310 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.289 310 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.289 310 G C 0.258 175.184 174.900 0.044 0.000 1.169 310 G CA 0.202 45.327 45.100 0.042 0.000 0.980 310 G HN 0.780 nan 8.290 nan 0.000 0.550 311 I N -0.274 120.328 120.570 0.053 0.000 3.004 311 I HA 0.577 4.746 4.170 -0.001 0.000 0.287 311 I C 0.347 176.500 176.117 0.060 0.000 1.144 311 I CA -0.628 60.703 61.300 0.052 0.000 1.353 311 I CB 0.527 38.562 38.000 0.058 0.000 1.417 311 I HN 0.420 nan 8.210 nan 0.000 0.602 312 E N 3.523 123.754 120.200 0.051 0.000 2.384 312 E HA 0.203 4.552 4.350 -0.001 0.000 0.266 312 E C -0.839 175.803 176.600 0.069 0.000 1.012 312 E CA 0.173 56.606 56.400 0.055 0.000 0.901 312 E CB 0.838 30.563 29.700 0.042 0.000 0.967 312 E HN 0.481 nan 8.360 nan 0.000 0.435 313 K N 1.982 122.434 120.400 0.086 0.000 2.267 313 K HA 0.367 4.687 4.320 -0.001 0.000 0.246 313 K C -0.068 176.582 176.600 0.083 0.000 0.954 313 K CA -0.781 55.560 56.287 0.090 0.000 0.824 313 K CB 1.814 34.383 32.500 0.115 0.000 1.167 313 K HN 0.097 nan 8.250 nan 0.000 0.431 314 K N 1.169 121.608 120.400 0.064 0.000 2.098 314 K HA 0.380 4.700 4.320 -0.001 0.000 0.258 314 K C -0.354 176.269 176.600 0.038 0.000 0.973 314 K CA -0.542 55.779 56.287 0.058 0.000 0.898 314 K CB 1.755 34.287 32.500 0.052 0.000 1.057 314 K HN 0.818 nan 8.250 nan 0.000 0.447 315 T N -2.397 112.185 114.554 0.047 0.000 2.893 315 T HA 0.531 4.880 4.350 -0.001 0.000 0.291 315 T C -0.461 174.235 174.700 -0.005 0.000 1.028 315 T CA -0.843 61.267 62.100 0.017 0.000 0.995 315 T CB 1.431 70.400 68.868 0.169 0.000 1.051 315 T HN 0.143 nan 8.240 nan 0.000 0.470 316 V N 2.467 122.350 119.914 -0.053 0.000 2.407 316 V HA 0.539 4.659 4.120 -0.001 0.000 0.291 316 V C 0.197 176.212 176.094 -0.133 0.000 1.018 316 V CA -0.971 61.273 62.300 -0.092 0.000 0.842 316 V CB 1.413 33.182 31.823 -0.088 0.000 0.996 316 V HN 0.973 nan 8.190 nan 0.000 0.426 317 R N 4.325 124.725 120.500 -0.165 0.000 2.297 317 R HA 0.677 5.017 4.340 -0.001 0.000 0.308 317 R C -1.328 174.829 176.300 -0.238 0.000 1.029 317 R CA -0.429 55.580 56.100 -0.152 0.000 0.929 317 R CB 0.802 30.951 30.300 -0.251 0.000 1.046 317 R HN 0.645 nan 8.270 nan 0.000 0.461 318 I N 2.795 123.212 120.570 -0.256 0.000 2.418 318 I HA 0.320 4.490 4.170 -0.001 0.000 0.287 318 I C -0.515 175.497 176.117 -0.175 0.000 1.008 318 I CA -0.003 61.073 61.300 -0.373 0.000 1.104 318 I CB 2.016 39.577 38.000 -0.730 0.000 1.264 318 I HN 0.533 nan 8.210 nan 0.000 0.438 319 S N 6.580 122.193 115.700 -0.146 0.000 2.537 319 S HA 0.554 5.023 4.470 -0.001 0.000 0.271 319 S C -2.587 171.953 174.600 -0.100 0.000 1.148 319 S CA -1.033 57.120 58.200 -0.078 0.000 0.868 319 S CB 2.016 65.215 63.200 -0.002 0.000 1.115 319 S HN 0.372 nan 8.310 nan 0.000 0.461 320 P HA 0.170 nan 4.420 nan 0.000 0.258 320 P C -0.001 177.263 177.300 -0.061 0.000 1.403 320 P CA 0.212 63.256 63.100 -0.092 0.000 0.826 320 P CB -0.810 30.844 31.700 -0.076 0.000 1.414 321 T N -4.071 110.457 114.554 -0.044 0.000 2.903 321 T HA 0.425 4.775 4.350 -0.001 0.000 0.299 321 T C -0.238 174.447 174.700 -0.025 0.000 1.093 321 T CA -0.802 61.282 62.100 -0.026 0.000 1.002 321 T CB 1.377 70.242 68.868 -0.005 0.000 1.127 321 T HN -0.253 nan 8.240 nan 0.000 0.488 322 V N 2.628 122.530 119.914 -0.021 0.000 2.811 322 V HA 0.202 4.322 4.120 -0.001 0.000 0.302 322 V C 1.017 177.102 176.094 -0.015 0.000 1.063 322 V CA -0.583 61.703 62.300 -0.023 0.000 1.088 322 V CB 0.554 32.365 31.823 -0.019 0.000 0.982 322 V HN 0.999 nan 8.190 nan 0.000 0.485 323 N N 6.294 124.976 118.700 -0.031 0.000 2.417 323 N HA 0.042 4.781 4.740 -0.001 0.000 0.272 323 N C -1.086 174.415 175.510 -0.014 0.000 1.304 323 N CA -1.259 51.775 53.050 -0.027 0.000 0.906 323 N CB 0.871 39.305 38.487 -0.088 0.000 1.135 323 N HN 0.427 nan 8.380 nan 0.000 0.483 324 P HA 0.054 nan 4.420 nan 0.000 0.245 324 P C 0.150 177.443 177.300 -0.012 0.000 1.206 324 P CA 0.634 63.739 63.100 0.008 0.000 0.781 324 P CB -0.032 31.687 31.700 0.032 0.000 0.994 325 I N -3.995 116.554 120.570 -0.034 0.000 2.944 325 I HA 0.400 4.570 4.170 -0.001 0.000 0.334 325 I C -1.984 174.078 176.117 -0.092 0.000 1.420 325 I CA -2.410 58.833 61.300 -0.094 0.000 0.856 325 I CB 1.159 39.015 38.000 -0.240 0.000 2.091 325 I HN -0.345 nan 8.210 nan 0.000 0.571 326 P HA -0.199 nan 4.420 nan 0.000 0.222 326 P C 1.529 178.793 177.300 -0.060 0.000 1.147 326 P CA 1.180 64.238 63.100 -0.069 0.000 0.790 326 P CB 0.101 31.765 31.700 -0.061 0.000 0.780 327 R N 0.148 120.611 120.500 -0.063 0.000 2.159 327 R HA -0.076 4.264 4.340 -0.001 0.000 0.237 327 R C 1.557 177.817 176.300 -0.068 0.000 1.131 327 R CA 1.389 57.454 56.100 -0.057 0.000 0.982 327 R CB -0.168 30.101 30.300 -0.051 0.000 0.868 327 R HN 0.081 nan 8.270 nan 0.000 0.453 328 V N -1.283 118.570 119.914 -0.102 0.000 2.908 328 V HA 0.072 4.192 4.120 -0.001 0.000 0.240 328 V C -0.176 175.887 176.094 -0.051 0.000 1.117 328 V CA 0.235 62.457 62.300 -0.130 0.000 1.133 328 V CB 0.179 31.813 31.823 -0.315 0.000 0.857 328 V HN 0.160 nan 8.190 nan 0.000 0.478 329 Y N 2.415 122.599 120.300 -0.194 0.000 2.338 329 Y HA 0.580 5.130 4.550 -0.000 0.000 0.328 329 Y C -0.132 175.710 175.900 -0.097 0.000 0.965 329 Y CA -1.949 56.066 58.100 -0.142 0.000 1.208 329 Y CB 0.856 39.221 38.460 -0.159 0.000 1.132 329 Y HN 0.064 nan 8.280 nan 0.000 0.469 330 R N 7.566 128.088 120.500 0.035 0.000 2.335 330 R HA 0.318 4.658 4.340 -0.001 0.000 0.302 330 R C -2.609 173.597 176.300 -0.157 0.000 1.147 330 R CA -1.713 54.315 56.100 -0.121 0.000 1.111 330 R CB 0.976 31.248 30.300 -0.046 0.000 1.122 330 R HN 0.475 nan 8.270 nan 0.000 0.557 331 P HA 0.006 nan 4.420 nan 0.000 0.269 331 P C -0.023 177.205 177.300 -0.121 0.000 1.209 331 P CA -0.135 62.786 63.100 -0.298 0.000 0.776 331 P CB 1.106 32.486 31.700 -0.534 0.000 0.876 332 D N 0.191 120.570 120.400 -0.036 0.000 2.144 332 D HA -0.039 4.601 4.640 -0.001 0.000 0.199 332 D C 0.396 176.679 176.300 -0.029 0.000 0.984 332 D CA 1.444 55.435 54.000 -0.016 0.000 0.834 332 D CB 0.250 41.061 40.800 0.017 0.000 0.955 332 D HN 0.130 nan 8.370 nan 0.000 0.465 333 V N 1.092 120.980 119.914 -0.044 0.000 2.531 333 V HA 0.205 4.325 4.120 -0.001 0.000 0.301 333 V C -0.776 175.261 176.094 -0.095 0.000 1.034 333 V CA -0.887 61.390 62.300 -0.038 0.000 0.865 333 V CB 2.454 34.283 31.823 0.010 0.000 0.995 333 V HN -0.133 nan 8.190 nan 0.000 0.424 334 D N 3.332 123.678 120.400 -0.090 0.000 2.440 334 D HA 0.459 5.098 4.640 -0.001 0.000 0.239 334 D C -0.819 175.439 176.300 -0.071 0.000 1.084 334 D CA -0.150 53.775 54.000 -0.125 0.000 0.843 334 D CB 1.956 42.674 40.800 -0.137 0.000 1.097 334 D HN 0.273 nan 8.370 nan 0.000 0.531 335 V N 4.436 124.284 119.914 -0.109 0.000 2.277 335 V HA 0.251 4.370 4.120 -0.001 0.000 0.269 335 V C 0.293 176.325 176.094 -0.104 0.000 1.036 335 V CA -0.840 61.427 62.300 -0.056 0.000 0.821 335 V CB 1.278 33.017 31.823 -0.140 0.000 1.052 335 V HN 0.320 nan 8.190 nan 0.000 0.462 336 V N 4.839 124.724 119.914 -0.048 0.000 2.320 336 V HA 0.639 4.759 4.120 -0.001 0.000 0.265 336 V C 0.340 176.315 176.094 -0.199 0.000 1.048 336 V CA 0.452 62.692 62.300 -0.100 0.000 0.865 336 V CB 0.804 32.595 31.823 -0.054 0.000 1.043 336 V HN 0.992 nan 8.190 nan 0.000 0.474 337 T N 2.673 117.045 114.554 -0.305 0.000 2.663 337 T HA 0.213 4.563 4.350 -0.001 0.000 0.305 337 T C -1.613 172.864 174.700 -0.372 0.000 1.660 337 T CA -0.674 61.102 62.100 -0.540 0.000 0.976 337 T CB 1.662 69.814 68.868 -1.194 0.000 1.705 337 T HN 0.723 nan 8.240 nan 0.000 0.494 338 D N 0.805 120.976 120.400 -0.381 0.000 2.424 338 D HA 0.267 4.907 4.640 -0.001 0.000 0.244 338 D C 1.543 177.757 176.300 -0.143 0.000 1.134 338 D CA 0.093 53.969 54.000 -0.207 0.000 0.881 338 D CB 0.898 41.600 40.800 -0.163 0.000 1.191 338 D HN 0.249 nan 8.370 nan 0.000 0.445 339 V N 3.950 123.828 119.914 -0.061 0.000 2.287 339 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 339 V C 2.266 178.410 176.094 0.084 0.000 1.053 339 V CA 1.493 63.807 62.300 0.025 0.000 1.027 339 V CB -0.768 31.066 31.823 0.018 0.000 0.646 339 V HN 0.623 nan 8.190 nan 0.000 0.447 340 L N 0.889 122.132 121.223 0.034 0.000 2.042 340 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 340 L C 2.437 179.339 176.870 0.053 0.000 1.076 340 L CA 2.399 57.263 54.840 0.040 0.000 0.749 340 L CB -0.927 41.144 42.059 0.021 0.000 0.893 340 L HN 0.238 nan 8.230 nan 0.000 0.432 341 A N -1.076 121.756 122.820 0.021 0.000 1.933 341 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 341 A C 2.233 179.926 177.584 0.182 0.000 1.175 341 A CA 1.701 53.773 52.037 0.058 0.000 0.628 341 A CB -1.119 17.832 19.000 -0.082 0.000 0.814 341 A HN 0.579 nan 8.150 nan 0.000 0.444 342 F N 0.914 120.849 119.950 -0.025 0.000 2.075 342 F HA -0.155 4.371 4.527 -0.001 0.000 0.297 342 F C 2.154 178.086 175.800 0.220 0.000 1.113 342 F CA 2.069 60.155 58.000 0.142 0.000 1.218 342 F CB -0.581 38.408 39.000 -0.018 0.000 0.984 342 F HN 0.014 nan 8.300 nan 0.000 0.472 343 V N 0.765 120.591 119.914 -0.146 0.000 2.343 343 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 343 V C 2.315 178.353 176.094 -0.093 0.000 1.051 343 V CA 2.349 64.514 62.300 -0.225 0.000 1.036 343 V CB -0.800 31.010 31.823 -0.022 0.000 0.654 343 V HN 0.380 nan 8.190 nan 0.000 0.451 344 E N -0.697 119.508 120.200 0.009 0.000 2.110 344 E HA -0.259 4.090 4.350 -0.001 0.000 0.193 344 E C 2.150 178.779 176.600 0.049 0.000 0.988 344 E CA 1.488 57.910 56.400 0.036 0.000 0.804 344 E CB -0.198 29.546 29.700 0.073 0.000 0.745 344 E HN 0.773 nan 8.360 nan 0.000 0.458 345 H N -0.464 118.631 119.070 0.042 0.000 2.357 345 H HA -0.110 4.446 4.556 -0.001 0.000 0.301 345 H C 1.690 176.993 175.328 -0.040 0.000 1.082 345 H CA 1.332 57.406 56.048 0.043 0.000 1.342 345 H CB -0.112 29.762 29.762 0.188 0.000 1.389 345 H HN 0.094 nan 8.280 nan 0.000 0.511 346 F N 1.314 121.060 119.950 -0.339 0.000 2.186 346 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 346 F C 2.235 177.805 175.800 -0.384 0.000 1.090 346 F CA 1.258 58.989 58.000 -0.449 0.000 1.307 346 F CB -0.025 38.532 39.000 -0.738 0.000 1.019 346 F HN 0.209 nan 8.300 nan 0.000 0.489 347 E N -0.446 119.640 120.200 -0.190 0.000 2.051 347 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 347 E C 2.217 178.645 176.600 -0.288 0.000 0.991 347 E CA 1.934 58.203 56.400 -0.218 0.000 0.799 347 E CB -0.729 28.904 29.700 -0.111 0.000 0.748 347 E HN 0.335 nan 8.360 nan 0.000 0.449 348 T N 1.090 115.481 114.554 -0.273 0.000 2.746 348 T HA -0.097 4.253 4.350 -0.001 0.000 0.267 348 T C 1.888 176.368 174.700 -0.368 0.000 1.039 348 T CA 1.442 63.378 62.100 -0.273 0.000 1.142 348 T CB -0.146 68.574 68.868 -0.246 0.000 0.866 348 T HN 0.252 nan 8.240 nan 0.000 0.444 349 A N 1.390 123.906 122.820 -0.507 0.000 2.066 349 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 349 A C 2.274 179.422 177.584 -0.727 0.000 1.157 349 A CA 1.596 53.315 52.037 -0.530 0.000 0.670 349 A CB -0.538 18.152 19.000 -0.518 0.000 0.804 349 A HN 0.584 nan 8.150 nan 0.000 0.453 350 T N -4.438 109.553 114.554 -0.938 0.000 3.129 350 T HA 0.542 4.891 4.350 -0.001 0.000 0.267 350 T C 1.464 175.745 174.700 -0.697 0.000 1.018 350 T CA 0.720 61.948 62.100 -1.453 0.000 0.903 350 T CB 0.316 68.230 68.868 -1.590 0.000 1.067 350 T HN 0.397 nan 8.240 nan 0.000 0.549 351 A N 2.575 125.154 122.820 -0.402 0.000 1.948 351 A HA -0.109 4.211 4.320 -0.001 0.000 0.220 351 A C 2.610 180.143 177.584 -0.086 0.000 1.177 351 A CA 2.199 54.117 52.037 -0.198 0.000 0.636 351 A CB -1.091 17.817 19.000 -0.153 0.000 0.815 351 A HN 0.797 nan 8.150 nan 0.000 0.449 352 S N -1.475 114.209 115.700 -0.028 0.000 2.496 352 S HA 0.164 4.633 4.470 -0.001 0.000 0.224 352 S C 0.354 175.079 174.600 0.208 0.000 0.996 352 S CA -0.383 57.868 58.200 0.085 0.000 0.927 352 S CB -0.440 62.816 63.200 0.094 0.000 0.774 352 S HN 0.150 nan 8.310 nan 0.000 0.524 353 F N 2.830 122.725 119.950 -0.091 0.000 2.518 353 F HA 0.603 5.130 4.527 -0.001 0.000 0.359 353 F C 1.423 177.189 175.800 -0.057 0.000 1.118 353 F CA -0.948 57.005 58.000 -0.079 0.000 1.287 353 F CB -0.227 38.711 39.000 -0.104 0.000 1.132 353 F HN 0.195 nan 8.300 nan 0.000 0.587 354 G N 0.359 109.228 108.800 0.114 0.000 2.531 354 G HA2 0.602 4.561 3.960 -0.001 0.000 0.313 354 G HA3 0.602 4.561 3.960 -0.001 0.000 0.313 354 G C -1.104 173.834 174.900 0.062 0.000 1.238 354 G CA -0.652 44.484 45.100 0.061 0.000 0.994 354 G HN 0.850 nan 8.290 nan 0.000 0.493 355 A N 0.318 123.164 122.820 0.044 0.000 2.401 355 A HA 0.560 4.879 4.320 -0.001 0.000 0.259 355 A C 0.531 178.136 177.584 0.035 0.000 1.103 355 A CA -0.398 51.667 52.037 0.046 0.000 0.789 355 A CB 0.401 19.425 19.000 0.040 0.000 1.035 355 A HN 0.443 nan 8.150 nan 0.000 0.491 356 K N 1.492 121.919 120.400 0.045 0.000 2.180 356 K HA 0.164 4.484 4.320 -0.001 0.000 0.251 356 K C 0.024 176.657 176.600 0.056 0.000 1.014 356 K CA -0.123 56.188 56.287 0.040 0.000 0.913 356 K CB 0.381 32.917 32.500 0.059 0.000 1.008 356 K HN 0.734 nan 8.250 nan 0.000 0.490 357 Q N 2.374 122.213 119.800 0.065 0.000 2.314 357 Q HA 0.096 4.436 4.340 -0.001 0.000 0.257 357 Q C 0.285 176.430 176.000 0.241 0.000 0.975 357 Q CA -0.215 55.664 55.803 0.126 0.000 0.933 357 Q CB 0.728 29.545 28.738 0.132 0.000 1.195 357 Q HN 0.447 nan 8.270 nan 0.000 0.426 358 R N 2.447 123.048 120.500 0.168 0.000 2.582 358 R HA 0.212 4.551 4.340 -0.001 0.000 0.271 358 R C 0.275 176.631 176.300 0.092 0.000 1.078 358 R CA -0.572 55.599 56.100 0.119 0.000 1.127 358 R CB 0.533 30.821 30.300 -0.019 0.000 1.038 358 R HN 0.621 nan 8.270 nan 0.000 0.500 359 H N 0.048 119.109 119.070 -0.015 0.000 2.607 359 H HA 0.130 4.686 4.556 -0.001 0.000 0.367 359 H C -0.984 174.357 175.328 0.023 0.000 1.181 359 H CA -0.635 55.276 56.048 -0.228 0.000 1.402 359 H CB 1.005 30.505 29.762 -0.437 0.000 1.474 359 H HN 0.622 nan 8.280 nan 0.000 0.596 360 D N 2.060 122.534 120.400 0.123 0.000 2.317 360 D HA 0.128 4.768 4.640 -0.001 0.000 0.234 360 D C 0.723 177.049 176.300 0.044 0.000 1.112 360 D CA -0.658 53.371 54.000 0.048 0.000 0.840 360 D CB 0.244 41.065 40.800 0.034 0.000 1.078 360 D HN 0.668 nan 8.370 nan 0.000 0.486 361 I N 0.477 120.980 120.570 -0.112 0.000 3.856 361 I HA 0.303 4.473 4.170 -0.001 0.000 0.330 361 I C 0.970 176.991 176.117 -0.161 0.000 1.546 361 I CA -0.453 60.756 61.300 -0.151 0.000 1.132 361 I CB 0.583 38.386 38.000 -0.328 0.000 1.157 361 I HN 0.010 nan 8.210 nan 0.000 0.440 362 E N 2.264 122.399 120.200 -0.108 0.000 2.160 362 E HA -0.100 4.249 4.350 -0.001 0.000 0.195 362 E C -0.447 176.129 176.600 -0.040 0.000 0.991 362 E CA 1.360 57.712 56.400 -0.080 0.000 0.810 362 E CB -1.426 28.248 29.700 -0.043 0.000 0.742 362 E HN 0.507 nan 8.360 nan 0.000 0.466 363 P HA -0.120 nan 4.420 nan 0.000 0.217 363 P C 1.666 178.952 177.300 -0.023 0.000 1.150 363 P CA 0.676 63.847 63.100 0.118 0.000 0.832 363 P CB -0.002 31.857 31.700 0.266 0.000 0.787 364 L N -0.165 120.998 121.223 -0.101 0.000 2.056 364 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 364 L C 2.290 178.955 176.870 -0.342 0.000 1.078 364 L CA 1.770 56.363 54.840 -0.413 0.000 0.749 364 L CB -0.980 40.971 42.059 -0.180 0.000 0.901 364 L HN -0.221 nan 8.230 nan 0.000 0.433 365 R N -0.502 119.872 120.500 -0.209 0.000 2.091 365 R HA -0.141 4.199 4.340 -0.001 0.000 0.238 365 R C 2.205 178.436 176.300 -0.114 0.000 1.136 365 R CA 1.379 57.388 56.100 -0.152 0.000 0.959 365 R CB -0.645 29.576 30.300 -0.132 0.000 0.856 365 R HN 0.536 nan 8.270 nan 0.000 0.437 366 A N 0.894 123.650 122.820 -0.107 0.000 1.930 366 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 366 A C 2.113 179.658 177.584 -0.065 0.000 1.175 366 A CA 1.302 53.305 52.037 -0.058 0.000 0.627 366 A CB -0.304 18.683 19.000 -0.021 0.000 0.815 366 A HN 0.095 nan 8.150 nan 0.000 0.443 367 R N 0.232 120.618 120.500 -0.190 0.000 2.075 367 R HA 0.033 4.373 4.340 -0.001 0.000 0.232 367 R C 1.744 178.043 176.300 -0.002 0.000 1.126 367 R CA 1.632 57.628 56.100 -0.174 0.000 0.963 367 R CB -0.717 29.187 30.300 -0.660 0.000 0.858 367 R HN 0.554 nan 8.270 nan 0.000 0.435 368 I N 0.113 120.639 120.570 -0.073 0.000 2.226 368 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 368 I C 2.195 178.407 176.117 0.159 0.000 1.100 368 I CA 1.369 62.735 61.300 0.111 0.000 1.374 368 I CB -0.369 37.641 38.000 0.017 0.000 1.057 368 I HN 0.281 nan 8.210 nan 0.000 0.413 369 A N 0.009 122.868 122.820 0.066 0.000 1.969 369 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 369 A C 2.314 179.931 177.584 0.056 0.000 1.169 369 A CA 1.698 53.767 52.037 0.053 0.000 0.635 369 A CB -0.552 18.461 19.000 0.021 0.000 0.810 369 A HN 0.503 nan 8.150 nan 0.000 0.445 370 E N -1.213 119.030 120.200 0.070 0.000 2.072 370 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 370 E C 1.635 178.252 176.600 0.028 0.000 0.985 370 E CA 1.039 57.468 56.400 0.048 0.000 0.801 370 E CB -0.217 29.512 29.700 0.048 0.000 0.750 370 E HN 0.565 nan 8.360 nan 0.000 0.452 371 F N 1.046 120.929 119.950 -0.113 0.000 2.102 371 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 371 F C 2.277 177.967 175.800 -0.184 0.000 1.105 371 F CA 1.168 59.014 58.000 -0.256 0.000 1.239 371 F CB -0.297 38.411 39.000 -0.487 0.000 0.991 371 F HN 0.043 nan 8.300 nan 0.000 0.474 372 L N -0.893 120.304 121.223 -0.043 0.000 2.127 372 L HA -0.203 4.137 4.340 -0.001 0.000 0.211 372 L C 2.321 179.200 176.870 0.015 0.000 1.089 372 L CA 1.187 55.997 54.840 -0.049 0.000 0.757 372 L CB -0.777 41.276 42.059 -0.010 0.000 0.899 372 L HN 0.139 nan 8.230 nan 0.000 0.434 373 A N -1.703 121.131 122.820 0.022 0.000 2.275 373 A HA -0.042 4.278 4.320 -0.001 0.000 0.212 373 A C 0.580 178.174 177.584 0.015 0.000 1.201 373 A CA -0.251 51.796 52.037 0.017 0.000 0.843 373 A CB -0.284 18.722 19.000 0.011 0.000 0.873 373 A HN 0.256 nan 8.150 nan 0.000 0.492 374 D N 1.448 121.868 120.400 0.033 0.000 2.854 374 D HA -0.052 4.587 4.640 -0.001 0.000 0.243 374 D C -1.362 174.949 176.300 0.020 0.000 1.243 374 D CA -0.622 53.402 54.000 0.040 0.000 0.883 374 D CB 0.867 41.757 40.800 0.149 0.000 1.145 374 D HN 0.248 nan 8.370 nan 0.000 0.555 375 P HA 0.031 nan 4.420 nan 0.000 0.257 375 P C 0.368 177.617 177.300 -0.085 0.000 1.241 375 P CA -0.062 63.015 63.100 -0.039 0.000 0.816 375 P CB 0.380 32.056 31.700 -0.039 0.000 1.150 376 E N 0.480 120.596 120.200 -0.140 0.000 2.436 376 E HA 0.083 4.432 4.350 -0.001 0.000 0.262 376 E C -0.321 176.068 176.600 -0.352 0.000 1.063 376 E CA 0.656 56.864 56.400 -0.320 0.000 0.944 376 E CB 0.423 29.777 29.700 -0.576 0.000 0.950 376 E HN -0.003 nan 8.360 nan 0.000 0.444 377 T N 3.052 117.391 114.554 -0.359 0.000 2.795 377 T HA 0.341 4.691 4.350 -0.001 0.000 0.282 377 T C -1.033 173.445 174.700 -0.371 0.000 0.980 377 T CA -0.327 61.622 62.100 -0.252 0.000 1.012 377 T CB 0.253 69.046 68.868 -0.126 0.000 0.936 377 T HN 0.237 nan 8.240 nan 0.000 0.457 378 Y N 0.446 120.718 120.300 -0.046 0.000 2.420 378 Y HA 0.506 5.055 4.550 -0.001 0.000 0.334 378 Y C 1.632 177.508 175.900 -0.041 0.000 1.094 378 Y CA -0.812 57.263 58.100 -0.042 0.000 1.126 378 Y CB 0.841 39.270 38.460 -0.051 0.000 1.217 378 Y HN 0.798 nan 8.280 nan 0.000 0.462 379 E N 1.155 121.426 120.200 0.119 0.000 2.072 379 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 379 E C 0.564 177.187 176.600 0.038 0.000 0.982 379 E CA 1.704 58.134 56.400 0.050 0.000 0.803 379 E CB -0.731 28.989 29.700 0.034 0.000 0.755 379 E HN 0.792 nan 8.360 nan 0.000 0.453 380 D N -0.170 120.256 120.400 0.043 0.000 2.080 380 D HA 0.336 4.975 4.640 -0.001 0.000 0.267 380 D C 1.327 177.623 176.300 -0.006 0.000 1.165 380 D CA 0.284 54.284 54.000 0.000 0.000 0.982 380 D CB -0.855 39.926 40.800 -0.032 0.000 1.172 380 D HN 0.339 nan 8.370 nan 0.000 0.503 381 G N -1.427 107.339 108.800 -0.056 0.000 2.582 381 G HA2 0.450 4.410 3.960 -0.001 0.000 0.232 381 G HA3 0.450 4.410 3.960 -0.001 0.000 0.232 381 G C 0.164 175.021 174.900 -0.071 0.000 1.458 381 G CA -0.666 44.392 45.100 -0.070 0.000 1.062 381 G HN 0.319 nan 8.290 nan 0.000 0.566 382 M N -0.333 119.200 119.600 -0.113 0.000 2.159 382 M HA 0.387 4.866 4.480 -0.001 0.000 0.293 382 M C 0.312 176.438 176.300 -0.289 0.000 1.186 382 M CA -0.301 54.919 55.300 -0.133 0.000 1.073 382 M CB 0.724 33.247 32.600 -0.129 0.000 1.419 382 M HN 0.165 nan 8.290 nan 0.000 0.490 383 R N 0.339 120.615 120.500 -0.373 0.000 2.598 383 R HA 0.313 4.653 4.340 -0.001 0.000 0.279 383 R C 0.814 176.818 176.300 -0.493 0.000 0.984 383 R CA -0.443 55.335 56.100 -0.536 0.000 0.999 383 R CB 0.880 30.709 30.300 -0.785 0.000 1.114 383 R HN 0.552 nan 8.270 nan 0.000 0.493 384 V N 2.281 121.951 119.914 -0.407 0.000 2.407 384 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 384 V C 1.967 178.020 176.094 -0.069 0.000 1.055 384 V CA 2.270 64.411 62.300 -0.265 0.000 1.049 384 V CB -0.867 30.707 31.823 -0.414 0.000 0.662 384 V HN 0.855 nan 8.190 nan 0.000 0.455 385 H N 0.005 119.128 119.070 0.089 0.000 2.387 385 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 385 H C 2.148 177.436 175.328 -0.068 0.000 1.099 385 H CA 1.543 57.583 56.048 -0.013 0.000 1.315 385 H CB -0.521 29.146 29.762 -0.158 0.000 1.380 385 H HN 0.438 nan 8.280 nan 0.000 0.513 386 Q N 0.755 120.402 119.800 -0.256 0.000 2.119 386 Q HA -0.061 4.278 4.340 -0.001 0.000 0.201 386 Q C 2.517 178.475 176.000 -0.070 0.000 0.972 386 Q CA 1.350 57.075 55.803 -0.132 0.000 0.847 386 Q CB 0.117 28.761 28.738 -0.157 0.000 0.903 386 Q HN 0.400 nan 8.270 nan 0.000 0.433 387 V N 0.870 120.732 119.914 -0.086 0.000 2.307 387 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 387 V C 2.085 178.194 176.094 0.025 0.000 1.045 387 V CA 1.566 63.840 62.300 -0.045 0.000 1.024 387 V CB -0.373 31.405 31.823 -0.075 0.000 0.651 387 V HN 0.319 nan 8.190 nan 0.000 0.449 388 I N 0.332 120.946 120.570 0.073 0.000 2.252 388 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 388 I C 2.318 178.508 176.117 0.121 0.000 1.102 388 I CA 1.885 63.271 61.300 0.143 0.000 1.385 388 I CB -0.382 37.758 38.000 0.234 0.000 1.064 388 I HN 0.364 nan 8.210 nan 0.000 0.414 389 D N 0.451 120.896 120.400 0.074 0.000 2.158 389 D HA -0.186 4.454 4.640 -0.001 0.000 0.197 389 D C 2.177 178.517 176.300 0.067 0.000 0.995 389 D CA 1.660 55.696 54.000 0.060 0.000 0.846 389 D CB 0.159 40.974 40.800 0.026 0.000 0.941 389 D HN 0.180 nan 8.370 nan 0.000 0.456 390 S N -0.720 115.012 115.700 0.054 0.000 2.383 390 S HA -0.107 4.363 4.470 -0.001 0.000 0.227 390 S C 2.027 176.689 174.600 0.102 0.000 1.026 390 S CA 0.895 59.128 58.200 0.055 0.000 0.981 390 S CB -0.228 62.985 63.200 0.021 0.000 0.818 390 S HN 0.348 nan 8.310 nan 0.000 0.472 391 M N 1.634 121.314 119.600 0.134 0.000 2.175 391 M HA -0.084 4.396 4.480 -0.001 0.000 0.264 391 M C 1.773 178.244 176.300 0.287 0.000 1.063 391 M CA 1.009 56.462 55.300 0.255 0.000 1.119 391 M CB -0.595 32.172 32.600 0.278 0.000 1.377 391 M HN 0.183 nan 8.290 nan 0.000 0.415 392 N N 0.157 118.968 118.700 0.184 0.000 2.084 392 N HA -0.115 4.625 4.740 -0.001 0.000 0.190 392 N C 1.700 177.278 175.510 0.112 0.000 1.030 392 N CA 1.832 54.963 53.050 0.134 0.000 0.849 392 N CB -0.854 37.697 38.487 0.107 0.000 1.012 392 N HN 0.285 nan 8.380 nan 0.000 0.423 393 T N 0.743 115.362 114.554 0.107 0.000 2.720 393 T HA -0.061 4.288 4.350 -0.001 0.000 0.268 393 T C 2.049 176.812 174.700 0.105 0.000 1.037 393 T CA 1.062 63.214 62.100 0.086 0.000 1.144 393 T CB -0.256 68.654 68.868 0.070 0.000 0.864 393 T HN 0.004 nan 8.240 nan 0.000 0.444 394 V N 1.018 121.033 119.914 0.169 0.000 2.488 394 V HA -0.048 4.071 4.120 -0.001 0.000 0.246 394 V C 2.342 178.569 176.094 0.220 0.000 1.046 394 V CA 1.293 63.724 62.300 0.218 0.000 1.053 394 V CB -0.539 31.448 31.823 0.273 0.000 0.679 394 V HN 0.381 nan 8.190 nan 0.000 0.458 395 M N 0.814 120.512 119.600 0.164 0.000 2.117 395 M HA -0.178 4.302 4.480 -0.001 0.000 0.262 395 M C 2.005 178.265 176.300 -0.067 0.000 1.065 395 M CA 1.946 57.146 55.300 -0.167 0.000 1.114 395 M CB -0.678 31.747 32.600 -0.292 0.000 1.361 395 M HN 0.410 nan 8.290 nan 0.000 0.408 396 E N -0.411 119.791 120.200 0.004 0.000 2.110 396 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 396 E C 1.783 178.393 176.600 0.016 0.000 0.988 396 E CA 1.560 57.966 56.400 0.010 0.000 0.804 396 E CB -0.080 29.637 29.700 0.027 0.000 0.745 396 E HN 0.706 nan 8.360 nan 0.000 0.458 397 E N -0.256 119.965 120.200 0.035 0.000 2.072 397 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 397 E C 1.853 178.471 176.600 0.030 0.000 0.985 397 E CA 1.002 57.423 56.400 0.036 0.000 0.801 397 E CB -0.014 29.717 29.700 0.052 0.000 0.750 397 E HN 0.310 nan 8.360 nan 0.000 0.452 398 A N 0.915 123.755 122.820 0.033 0.000 2.030 398 A HA 0.330 4.650 4.320 -0.001 0.000 0.215 398 A C 1.221 178.802 177.584 -0.004 0.000 1.164 398 A CA 0.495 52.550 52.037 0.030 0.000 0.697 398 A CB 0.160 19.206 19.000 0.076 0.000 0.827 398 A HN 0.207 nan 8.150 nan 0.000 0.457 399 A N 0.720 123.519 122.820 -0.034 0.000 2.304 399 A HA 0.542 4.862 4.320 -0.001 0.000 0.301 399 A C -0.129 177.447 177.584 -0.014 0.000 1.132 399 A CA -0.617 51.397 52.037 -0.037 0.000 0.819 399 A CB 0.274 19.233 19.000 -0.068 0.000 1.094 399 A HN 0.309 nan 8.150 nan 0.000 0.492 400 E N 1.295 121.490 120.200 -0.007 0.000 2.436 400 E HA 0.149 4.498 4.350 -0.001 0.000 0.262 400 E C -2.270 174.330 176.600 0.001 0.000 1.063 400 E CA -1.468 54.932 56.400 0.000 0.000 0.944 400 E CB -0.438 29.264 29.700 0.004 0.000 0.950 400 E HN 0.340 nan 8.360 nan 0.000 0.444 401 P HA -0.002 nan 4.420 nan 0.000 0.264 401 P C 0.610 177.916 177.300 0.011 0.000 1.183 401 P CA 0.958 64.064 63.100 0.009 0.000 0.763 401 P CB 0.281 31.987 31.700 0.011 0.000 0.807 402 G N 1.279 110.087 108.800 0.013 0.000 2.153 402 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.252 402 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.252 402 G C -0.023 174.886 174.900 0.015 0.000 0.994 402 G CA -0.006 45.104 45.100 0.017 0.000 0.698 402 G HN 0.578 nan 8.290 nan 0.000 0.521 403 E N -1.143 119.061 120.200 0.006 0.000 2.393 403 E HA 0.654 5.003 4.350 -0.001 0.000 0.265 403 E C 0.414 177.004 176.600 -0.017 0.000 0.941 403 E CA -0.477 55.924 56.400 0.002 0.000 0.801 403 E CB 1.982 31.682 29.700 -0.000 0.000 1.313 403 E HN 1.535 nan 8.360 nan 0.000 0.435 404 G N 0.205 108.990 108.800 -0.026 0.000 2.692 404 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.686 404 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.686 404 G C -0.833 174.047 174.900 -0.034 0.000 1.243 404 G CA -0.620 44.437 45.100 -0.070 0.000 0.782 404 G HN 0.393 nan 8.290 nan 0.000 0.625 405 T N 1.234 115.755 114.554 -0.054 0.000 2.928 405 T HA 0.612 4.962 4.350 -0.001 0.000 0.296 405 T C 0.200 174.911 174.700 0.018 0.000 1.000 405 T CA -0.433 61.674 62.100 0.013 0.000 0.989 405 T CB 1.328 70.211 68.868 0.025 0.000 1.005 405 T HN 0.669 nan 8.240 nan 0.000 0.442 406 I N 3.034 123.668 120.570 0.106 0.000 2.354 406 I HA 0.489 4.658 4.170 -0.001 0.000 0.292 406 I C -0.301 175.882 176.117 0.111 0.000 0.989 406 I CA -0.964 60.451 61.300 0.192 0.000 1.188 406 I CB 1.528 39.725 38.000 0.328 0.000 1.342 406 I HN 0.266 nan 8.210 nan 0.000 0.457 407 V N 4.818 124.783 119.914 0.086 0.000 2.547 407 V HA 0.460 4.580 4.120 -0.001 0.000 0.299 407 V C -0.033 176.095 176.094 0.057 0.000 1.040 407 V CA -0.440 61.849 62.300 -0.018 0.000 0.913 407 V CB 1.880 33.708 31.823 0.009 0.000 0.992 407 V HN 0.761 nan 8.190 nan 0.000 0.449 408 S N 2.248 117.946 115.700 -0.003 0.000 2.557 408 S HA 0.367 4.837 4.470 -0.001 0.000 0.291 408 S C -0.536 174.229 174.600 0.274 0.000 1.116 408 S CA -0.672 57.645 58.200 0.194 0.000 0.992 408 S CB 1.378 64.671 63.200 0.155 0.000 1.028 408 S HN 0.893 nan 8.310 nan 0.000 0.484 409 D N 2.161 122.836 120.400 0.460 0.000 2.348 409 D HA 0.265 4.904 4.640 -0.001 0.000 0.272 409 D C -0.103 176.378 176.300 0.301 0.000 1.237 409 D CA -0.124 54.169 54.000 0.488 0.000 1.042 409 D CB 0.467 41.590 40.800 0.538 0.000 1.117 409 D HN 0.444 nan 8.370 nan 0.000 0.548 410 I N -0.525 120.217 120.570 0.286 0.000 2.493 410 I HA 0.617 4.787 4.170 -0.001 0.000 0.298 410 I C 0.946 177.118 176.117 0.090 0.000 0.998 410 I CA -0.340 60.971 61.300 0.017 0.000 1.137 410 I CB 0.522 38.575 38.000 0.089 0.000 1.310 410 I HN 0.581 nan 8.210 nan 0.000 0.445 411 G N 3.736 112.402 108.800 -0.224 0.000 2.341 411 G HA2 0.104 4.063 3.960 -0.001 0.000 0.293 411 G HA3 0.104 4.063 3.960 -0.001 0.000 0.293 411 G C -0.375 174.431 174.900 -0.157 0.000 1.298 411 G CA -0.662 44.435 45.100 -0.003 0.000 0.868 411 G HN 0.313 nan 8.290 nan 0.000 0.540 412 F N 0.907 120.787 119.950 -0.117 0.000 2.161 412 F HA 0.024 4.550 4.527 -0.001 0.000 0.300 412 F C 2.531 178.308 175.800 -0.038 0.000 1.089 412 F CA 2.238 60.132 58.000 -0.177 0.000 1.282 412 F CB -0.540 38.256 39.000 -0.340 0.000 1.010 412 F HN 0.461 nan 8.300 nan 0.000 0.485 413 F N 0.171 120.164 119.950 0.072 0.000 2.250 413 F HA -0.091 4.436 4.527 -0.000 0.000 0.301 413 F C 2.358 178.206 175.800 0.081 0.000 1.077 413 F CA 1.415 59.455 58.000 0.067 0.000 1.348 413 F CB -1.199 37.879 39.000 0.131 0.000 1.040 413 F HN -0.127 nan 8.300 nan 0.000 0.509 414 R N 0.691 120.465 120.500 -1.210 0.000 2.105 414 R HA -0.186 4.154 4.340 -0.001 0.000 0.239 414 R C 2.069 178.025 176.300 -0.573 0.000 1.135 414 R CA 2.062 57.625 56.100 -0.895 0.000 0.967 414 R CB -0.999 28.693 30.300 -1.013 0.000 0.861 414 R HN 0.481 nan 8.270 nan 0.000 0.442 415 H N -1.185 117.651 119.070 -0.391 0.000 2.495 415 H HA -0.084 4.471 4.556 -0.001 0.000 0.287 415 H C 1.652 176.779 175.328 -0.335 0.000 1.033 415 H CA 0.980 56.786 56.048 -0.402 0.000 1.307 415 H CB -0.120 29.340 29.762 -0.503 0.000 1.401 415 H HN 0.253 nan 8.280 nan 0.000 0.555 416 Y N 0.814 120.982 120.300 -0.220 0.000 2.200 416 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 416 Y C 2.861 178.721 175.900 -0.066 0.000 1.137 416 Y CA 1.078 59.148 58.100 -0.050 0.000 1.163 416 Y CB -0.684 37.931 38.460 0.258 0.000 0.988 416 Y HN 0.197 nan 8.280 nan 0.000 0.518 417 G N -0.399 108.466 108.800 0.108 0.000 2.440 417 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.218 417 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.218 417 G C 1.827 176.359 174.900 -0.613 0.000 1.154 417 G CA 1.494 46.564 45.100 -0.050 0.000 0.767 417 G HN 0.291 nan 8.290 nan 0.000 0.552 418 V N 0.799 120.413 119.914 -0.500 0.000 2.343 418 V HA -0.134 3.986 4.120 -0.001 0.000 0.247 418 V C 2.892 178.703 176.094 -0.473 0.000 1.051 418 V CA 1.589 63.575 62.300 -0.522 0.000 1.036 418 V CB -0.360 31.221 31.823 -0.402 0.000 0.654 418 V HN 0.351 nan 8.190 nan 0.000 0.451 419 L N -1.957 118.932 121.223 -0.557 0.000 2.131 419 L HA -0.018 4.321 4.340 -0.001 0.000 0.206 419 L C 2.120 178.623 176.870 -0.611 0.000 1.087 419 L CA 1.411 55.800 54.840 -0.752 0.000 0.767 419 L CB -0.289 40.950 42.059 -1.366 0.000 0.917 419 L HN 0.288 nan 8.230 nan 0.000 0.441 420 F N -0.564 119.285 119.950 -0.168 0.000 2.680 420 F HA 0.347 4.874 4.527 -0.000 0.000 0.290 420 F C 1.432 177.180 175.800 -0.087 0.000 1.114 420 F CA -0.817 57.135 58.000 -0.079 0.000 1.333 420 F CB -0.558 38.463 39.000 0.035 0.000 1.091 420 F HN -0.224 nan 8.300 nan 0.000 0.606 421 A N 2.044 124.835 122.820 -0.047 0.000 2.520 421 A HA 0.212 4.531 4.320 -0.001 0.000 0.245 421 A C 0.764 178.321 177.584 -0.046 0.000 1.072 421 A CA -0.336 51.666 52.037 -0.058 0.000 0.761 421 A CB -0.192 18.677 19.000 -0.219 0.000 1.004 421 A HN 0.368 nan 8.150 nan 0.000 0.499 422 R N 2.137 122.672 120.500 0.057 0.000 2.522 422 R HA 0.368 4.707 4.340 -0.001 0.000 0.284 422 R C -0.330 176.022 176.300 0.087 0.000 1.032 422 R CA 0.765 56.901 56.100 0.060 0.000 1.049 422 R CB 0.202 30.542 30.300 0.067 0.000 0.956 422 R HN 0.852 nan 8.270 nan 0.000 0.422 423 A N 4.163 127.028 122.820 0.075 0.000 2.411 423 A HA 0.213 4.533 4.320 -0.001 0.000 0.285 423 A C -0.916 176.708 177.584 0.067 0.000 1.129 423 A CA -0.753 51.347 52.037 0.104 0.000 0.736 423 A CB 1.532 20.616 19.000 0.141 0.000 1.186 423 A HN 0.858 nan 8.150 nan 0.000 0.445 424 D N 1.438 121.871 120.400 0.055 0.000 2.462 424 D HA 0.186 4.826 4.640 -0.001 0.000 0.221 424 D C 0.369 176.688 176.300 0.032 0.000 1.173 424 D CA 0.656 54.680 54.000 0.040 0.000 0.831 424 D CB 0.205 41.023 40.800 0.030 0.000 1.001 424 D HN 0.752 nan 8.370 nan 0.000 0.499 425 Q N -1.765 118.055 119.800 0.033 0.000 2.633 425 Q HA 0.470 4.810 4.340 -0.001 0.000 0.289 425 Q C -3.079 172.916 176.000 -0.008 0.000 0.940 425 Q CA -1.981 53.829 55.803 0.012 0.000 0.785 425 Q CB 1.189 29.940 28.738 0.022 0.000 1.467 425 Q HN -0.258 nan 8.270 nan 0.000 0.401 426 P HA 0.081 nan 4.420 nan 0.000 0.265 426 P C -0.781 176.426 177.300 -0.155 0.000 1.193 426 P CA 0.371 63.318 63.100 -0.255 0.000 0.765 426 P CB -0.067 31.378 31.700 -0.424 0.000 0.823 427 F N 0.753 120.743 119.950 0.068 0.000 3.034 427 F HA -0.192 4.335 4.527 -0.001 0.000 0.286 427 F C 1.692 177.531 175.800 0.065 0.000 0.804 427 F CA 1.171 59.208 58.000 0.062 0.000 1.161 427 F CB -2.680 36.341 39.000 0.035 0.000 1.317 427 F HN 0.484 nan 8.300 nan 0.000 0.453 428 G N -1.172 107.757 108.800 0.216 0.000 2.484 428 G HA2 0.035 3.995 3.960 -0.001 0.000 0.218 428 G HA3 0.035 3.995 3.960 -0.001 0.000 0.218 428 G C 0.203 175.248 174.900 0.242 0.000 1.130 428 G CA 0.747 45.952 45.100 0.173 0.000 0.784 428 G HN 0.363 nan 8.290 nan 0.000 0.543 429 F N 0.209 120.236 119.950 0.129 0.000 2.477 429 F HA 0.710 5.237 4.527 -0.001 0.000 0.335 429 F C -1.323 174.578 175.800 0.170 0.000 1.130 429 F CA -1.641 56.437 58.000 0.129 0.000 0.948 429 F CB 1.806 40.870 39.000 0.106 0.000 1.154 429 F HN -0.170 nan 8.300 nan 0.000 0.439 430 L N 5.771 126.705 121.223 -0.482 0.000 2.349 430 L HA 0.735 5.075 4.340 -0.001 0.000 0.278 430 L C -0.442 176.199 176.870 -0.381 0.000 0.996 430 L CA 0.081 54.765 54.840 -0.260 0.000 0.825 430 L CB 1.986 43.991 42.059 -0.090 0.000 1.243 430 L HN 0.788 nan 8.230 nan 0.000 0.412 431 T N 1.301 115.740 114.554 -0.191 0.000 2.739 431 T HA 0.383 4.733 4.350 -0.001 0.000 0.303 431 T C -1.390 173.148 174.700 -0.270 0.000 1.389 431 T CA -0.489 61.527 62.100 -0.140 0.000 1.001 431 T CB 1.699 70.408 68.868 -0.266 0.000 1.436 431 T HN 0.393 nan 8.240 nan 0.000 0.500 432 S N 1.155 116.402 115.700 -0.754 0.000 2.404 432 S HA 0.601 5.070 4.470 -0.001 0.000 0.309 432 S C 1.008 175.471 174.600 -0.229 0.000 1.076 432 S CA 0.032 57.825 58.200 -0.678 0.000 1.095 432 S CB 0.172 62.712 63.200 -1.101 0.000 0.972 432 S HN 0.814 nan 8.310 nan 0.000 0.484 433 A N 4.611 127.378 122.820 -0.088 0.000 1.943 433 A HA 0.311 4.631 4.320 -0.001 0.000 0.213 433 A C 1.921 179.453 177.584 -0.086 0.000 1.181 433 A CA 0.982 53.005 52.037 -0.023 0.000 0.653 433 A CB -0.937 17.977 19.000 -0.142 0.000 0.833 433 A HN 0.845 nan 8.150 nan 0.000 0.451 434 G N -1.421 107.319 108.800 -0.100 0.000 2.408 434 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.213 434 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.213 434 G C 1.677 176.535 174.900 -0.071 0.000 1.177 434 G CA 1.239 46.284 45.100 -0.092 0.000 0.802 434 G HN 0.538 nan 8.290 nan 0.000 0.533 435 C N -0.184 119.075 119.300 -0.068 0.000 2.520 435 C HA 0.390 4.850 4.460 -0.001 0.000 0.291 435 C C 1.734 176.695 174.990 -0.048 0.000 1.364 435 C CA 1.210 60.202 59.018 -0.043 0.000 1.781 435 C CB -0.487 27.250 27.740 -0.005 0.000 2.171 435 C HN 0.478 nan 8.230 nan 0.000 0.516 436 S N 1.422 117.069 115.700 -0.089 0.000 3.706 436 S HA -0.164 4.306 4.470 -0.001 0.000 0.363 436 S C 0.103 174.693 174.600 -0.016 0.000 0.999 436 S CA 0.713 58.862 58.200 -0.083 0.000 1.143 436 S CB -1.870 61.308 63.200 -0.037 0.000 0.902 436 S HN 0.896 nan 8.310 nan 0.000 0.476 437 S N 2.090 117.826 115.700 0.060 0.000 2.531 437 S HA 0.515 4.985 4.470 -0.001 0.000 0.279 437 S C 0.651 175.429 174.600 0.296 0.000 1.305 437 S CA -0.781 57.496 58.200 0.128 0.000 1.058 437 S CB -0.024 63.283 63.200 0.178 0.000 0.899 437 S HN 0.520 nan 8.310 nan 0.000 0.493 438 F N 3.409 123.383 119.950 0.040 0.000 2.539 438 F HA 0.519 5.046 4.527 -0.000 0.000 0.340 438 F C 1.313 177.173 175.800 0.099 0.000 1.185 438 F CA -0.920 57.141 58.000 0.102 0.000 1.333 438 F CB -1.233 37.830 39.000 0.104 0.000 1.152 438 F HN 0.852 nan 8.300 nan 0.000 0.602 439 G N 1.684 110.635 108.800 0.252 0.000 2.176 439 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.253 439 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.253 439 G C 0.691 175.862 174.900 0.451 0.000 0.979 439 G CA 0.420 45.627 45.100 0.179 0.000 0.641 439 G HN 1.057 nan 8.290 nan 0.000 0.530 440 Y N 1.627 122.144 120.300 0.362 0.000 2.274 440 Y HA 0.095 4.645 4.550 -0.001 0.000 0.290 440 Y C 2.490 178.428 175.900 0.063 0.000 1.145 440 Y CA 2.434 60.664 58.100 0.216 0.000 1.203 440 Y CB -0.455 38.118 38.460 0.189 0.000 0.984 440 Y HN 0.237 nan 8.280 nan 0.000 0.533 441 G N 0.869 109.774 108.800 0.175 0.000 2.480 441 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.216 441 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.216 441 G C 1.739 176.605 174.900 -0.057 0.000 1.200 441 G CA 1.506 46.658 45.100 0.087 0.000 0.782 441 G HN 0.489 nan 8.290 nan 0.000 0.554 442 I N 1.904 122.452 120.570 -0.036 0.000 2.142 442 I HA -0.114 4.055 4.170 -0.001 0.000 0.240 442 I C 0.095 176.111 176.117 -0.169 0.000 1.078 442 I CA 1.264 62.524 61.300 -0.067 0.000 1.343 442 I CB -0.894 37.056 38.000 -0.083 0.000 1.046 442 I HN 0.204 nan 8.210 nan 0.000 0.405 443 P HA -0.154 nan 4.420 nan 0.000 0.217 443 P C 1.380 178.410 177.300 -0.449 0.000 1.150 443 P CA 1.889 64.764 63.100 -0.375 0.000 0.832 443 P CB -0.035 31.358 31.700 -0.511 0.000 0.787 444 A N 0.614 123.081 122.820 -0.588 0.000 1.898 444 A HA -0.032 4.288 4.320 -0.001 0.000 0.216 444 A C 2.486 179.889 177.584 -0.303 0.000 1.181 444 A CA 2.109 53.790 52.037 -0.593 0.000 0.620 444 A CB -1.513 16.926 19.000 -0.935 0.000 0.819 444 A HN 0.225 nan 8.150 nan 0.000 0.442 445 A N -0.204 122.494 122.820 -0.203 0.000 1.930 445 A HA -0.025 4.294 4.320 -0.001 0.000 0.217 445 A C 2.100 179.638 177.584 -0.077 0.000 1.175 445 A CA 1.370 53.355 52.037 -0.087 0.000 0.627 445 A CB -0.558 18.433 19.000 -0.016 0.000 0.815 445 A HN 0.487 nan 8.150 nan 0.000 0.443 446 I N -0.302 120.202 120.570 -0.109 0.000 2.127 446 I HA -0.231 3.938 4.170 -0.001 0.000 0.241 446 I C 2.747 178.813 176.117 -0.084 0.000 1.075 446 I CA 1.308 62.563 61.300 -0.075 0.000 1.334 446 I CB -0.630 37.318 38.000 -0.086 0.000 1.040 446 I HN 0.396 nan 8.210 nan 0.000 0.405 447 G N 0.258 108.943 108.800 -0.191 0.000 2.446 447 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.217 447 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.217 447 G C 1.847 176.687 174.900 -0.101 0.000 1.168 447 G CA 0.870 45.858 45.100 -0.187 0.000 0.771 447 G HN 0.505 nan 8.290 nan 0.000 0.551 448 A N 0.185 122.942 122.820 -0.105 0.000 1.908 448 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 448 A C 2.330 179.905 177.584 -0.015 0.000 1.181 448 A CA 2.364 54.367 52.037 -0.055 0.000 0.627 448 A CB -0.470 18.501 19.000 -0.049 0.000 0.818 448 A HN 0.432 nan 8.150 nan 0.000 0.445 449 Q N -0.595 119.201 119.800 -0.007 0.000 2.123 449 Q HA 0.002 4.342 4.340 -0.001 0.000 0.199 449 Q C 1.945 177.959 176.000 0.023 0.000 0.966 449 Q CA 1.835 57.648 55.803 0.017 0.000 0.845 449 Q CB -0.387 28.369 28.738 0.028 0.000 0.907 449 Q HN 0.695 nan 8.270 nan 0.000 0.439 450 M N -0.938 118.678 119.600 0.028 0.000 2.229 450 M HA -0.034 4.446 4.480 -0.001 0.000 0.264 450 M C 2.012 178.334 176.300 0.036 0.000 1.063 450 M CA 1.297 56.624 55.300 0.044 0.000 1.114 450 M CB -0.165 32.490 32.600 0.092 0.000 1.387 450 M HN 0.309 nan 8.290 nan 0.000 0.420 451 A N 0.432 123.267 122.820 0.025 0.000 2.016 451 A HA -0.001 4.319 4.320 -0.001 0.000 0.217 451 A C 1.248 178.848 177.584 0.027 0.000 1.162 451 A CA 0.949 53.000 52.037 0.023 0.000 0.662 451 A CB -0.082 18.923 19.000 0.008 0.000 0.812 451 A HN 0.418 nan 8.150 nan 0.000 0.450 452 R N -0.479 120.035 120.500 0.024 0.000 2.748 452 R HA 0.211 4.551 4.340 -0.001 0.000 0.283 452 R C -2.224 174.090 176.300 0.023 0.000 1.507 452 R CA -1.570 54.545 56.100 0.025 0.000 1.666 452 R CB 0.942 31.258 30.300 0.026 0.000 1.237 452 R HN 0.234 nan 8.270 nan 0.000 0.633 453 P HA -0.161 nan 4.420 nan 0.000 0.219 453 P C -0.028 177.285 177.300 0.022 0.000 1.146 453 P CA 1.312 64.426 63.100 0.023 0.000 0.808 453 P CB 0.359 32.071 31.700 0.020 0.000 0.779 454 D N -1.176 119.236 120.400 0.020 0.000 2.402 454 D HA 0.096 4.735 4.640 -0.001 0.000 0.216 454 D C 0.534 176.844 176.300 0.016 0.000 1.128 454 D CA 0.156 54.167 54.000 0.019 0.000 0.833 454 D CB 0.510 41.319 40.800 0.016 0.000 0.971 454 D HN 0.358 nan 8.370 nan 0.000 0.503 455 Q N 1.169 120.978 119.800 0.014 0.000 2.266 455 Q HA 0.387 4.727 4.340 -0.001 0.000 0.261 455 Q C -2.550 173.450 176.000 0.000 0.000 0.985 455 Q CA -1.974 53.830 55.803 0.002 0.000 0.873 455 Q CB 1.766 30.504 28.738 -0.001 0.000 1.306 455 Q HN -0.126 nan 8.270 nan 0.000 0.447 456 P HA 0.030 nan 4.420 nan 0.000 0.268 456 P C -1.034 176.220 177.300 -0.077 0.000 1.204 456 P CA 0.087 63.163 63.100 -0.039 0.000 0.768 456 P CB 0.590 32.197 31.700 -0.155 0.000 0.842 457 T N 4.005 118.600 114.554 0.069 0.000 2.864 457 T HA 0.488 4.838 4.350 -0.001 0.000 0.299 457 T C -0.691 174.236 174.700 0.379 0.000 1.011 457 T CA -0.212 61.956 62.100 0.114 0.000 0.975 457 T CB -0.005 68.919 68.868 0.094 0.000 0.962 457 T HN 0.043 nan 8.240 nan 0.000 0.448 458 F N 2.772 122.756 119.950 0.057 0.000 2.450 458 F HA 0.750 5.277 4.527 -0.000 0.000 0.332 458 F C -0.069 175.766 175.800 0.057 0.000 1.093 458 F CA -2.190 55.846 58.000 0.060 0.000 1.003 458 F CB 1.523 40.567 39.000 0.074 0.000 1.151 458 F HN 0.323 nan 8.300 nan 0.000 0.474 459 L N 4.746 126.096 121.223 0.212 0.000 2.365 459 L HA 0.700 5.040 4.340 -0.001 0.000 0.273 459 L C -1.409 175.510 176.870 0.082 0.000 1.000 459 L CA -0.553 54.369 54.840 0.137 0.000 0.819 459 L CB 1.778 43.897 42.059 0.099 0.000 1.284 459 L HN 0.585 nan 8.230 nan 0.000 0.418 460 I N 4.453 125.096 120.570 0.122 0.000 2.474 460 I HA 0.894 5.063 4.170 -0.001 0.000 0.294 460 I C -1.046 175.071 176.117 0.000 0.000 1.005 460 I CA -0.295 61.025 61.300 0.032 0.000 1.113 460 I CB 1.582 39.669 38.000 0.145 0.000 1.289 460 I HN 0.928 nan 8.210 nan 0.000 0.436 461 A N 4.854 127.463 122.820 -0.352 0.000 2.549 461 A HA 0.779 5.098 4.320 -0.001 0.000 0.297 461 A C -0.491 176.566 177.584 -0.879 0.000 1.061 461 A CA -0.343 51.433 52.037 -0.436 0.000 0.690 461 A CB 1.319 20.333 19.000 0.023 0.000 1.287 461 A HN 0.854 nan 8.150 nan 0.000 0.402 462 G N -0.018 108.236 108.800 -0.909 0.000 2.537 462 G HA2 0.419 4.378 3.960 -0.001 0.000 0.273 462 G HA3 0.419 4.378 3.960 -0.001 0.000 0.273 462 G C 0.518 175.331 174.900 -0.146 0.000 1.189 462 G CA 0.340 45.173 45.100 -0.446 0.000 0.881 462 G HN 0.825 nan 8.290 nan 0.000 0.535 463 D N 0.138 120.502 120.400 -0.061 0.000 2.144 463 D HA -0.116 4.523 4.640 -0.001 0.000 0.199 463 D C 2.162 178.570 176.300 0.181 0.000 0.984 463 D CA 1.334 55.335 54.000 0.003 0.000 0.834 463 D CB -0.747 40.181 40.800 0.213 0.000 0.955 463 D HN 0.469 nan 8.370 nan 0.000 0.465 464 G N 1.047 110.040 108.800 0.322 0.000 2.511 464 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 464 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 464 G C 1.796 176.787 174.900 0.151 0.000 1.218 464 G CA 1.370 46.702 45.100 0.387 0.000 0.788 464 G HN 0.474 nan 8.290 nan 0.000 0.560 465 G N -0.048 108.892 108.800 0.233 0.000 2.402 465 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.216 465 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.216 465 G C 1.655 176.519 174.900 -0.059 0.000 1.162 465 G CA 0.833 45.959 45.100 0.043 0.000 0.777 465 G HN 0.329 nan 8.290 nan 0.000 0.539 466 F N 0.934 120.837 119.950 -0.078 0.000 2.126 466 F HA -0.089 4.438 4.527 -0.001 0.000 0.299 466 F C 2.422 178.207 175.800 -0.025 0.000 1.096 466 F CA 1.889 59.825 58.000 -0.106 0.000 1.255 466 F CB -0.211 38.620 39.000 -0.281 0.000 0.997 466 F HN 0.249 nan 8.300 nan 0.000 0.479 467 H N -0.246 118.794 119.070 -0.050 0.000 2.495 467 H HA -0.011 4.544 4.556 -0.000 0.000 0.287 467 H C 2.454 177.606 175.328 -0.294 0.000 1.033 467 H CA 1.035 57.032 56.048 -0.086 0.000 1.307 467 H CB -0.420 29.364 29.762 0.037 0.000 1.401 467 H HN 0.347 nan 8.280 nan 0.000 0.555 468 S N -0.939 114.500 115.700 -0.435 0.000 2.442 468 S HA -0.138 4.332 4.470 -0.001 0.000 0.236 468 S C 1.435 175.741 174.600 -0.489 0.000 1.007 468 S CA 1.470 59.280 58.200 -0.650 0.000 0.965 468 S CB -0.018 62.325 63.200 -1.428 0.000 0.773 468 S HN 0.393 nan 8.310 nan 0.000 0.504 469 N N 0.133 118.585 118.700 -0.412 0.000 2.475 469 N HA 0.224 4.963 4.740 -0.001 0.000 0.272 469 N C 0.807 176.096 175.510 -0.369 0.000 1.482 469 N CA 0.550 53.415 53.050 -0.310 0.000 0.863 469 N CB 0.631 39.031 38.487 -0.145 0.000 1.400 469 N HN 0.382 nan 8.380 nan 0.000 0.489 470 S N -2.012 113.435 115.700 -0.422 0.000 2.481 470 S HA -0.018 4.452 4.470 -0.001 0.000 0.231 470 S C 1.640 176.112 174.600 -0.213 0.000 0.996 470 S CA 0.676 58.590 58.200 -0.477 0.000 0.942 470 S CB -0.107 63.015 63.200 -0.131 0.000 0.768 470 S HN 0.134 nan 8.310 nan 0.000 0.520 471 S N 1.981 117.593 115.700 -0.146 0.000 2.447 471 S HA -0.029 4.441 4.470 -0.001 0.000 0.233 471 S C 1.158 175.736 174.600 -0.038 0.000 1.006 471 S CA 0.813 58.977 58.200 -0.061 0.000 0.957 471 S CB -0.349 62.827 63.200 -0.040 0.000 0.773 471 S HN 0.547 nan 8.310 nan 0.000 0.507 472 D N 1.209 121.571 120.400 -0.063 0.000 2.352 472 D HA 0.106 4.746 4.640 -0.001 0.000 0.232 472 D C 1.481 177.767 176.300 -0.024 0.000 1.055 472 D CA 0.094 54.074 54.000 -0.034 0.000 0.891 472 D CB -0.008 40.769 40.800 -0.039 0.000 0.897 472 D HN 0.355 nan 8.370 nan 0.000 0.529 473 L N 0.766 121.976 121.223 -0.021 0.000 2.081 473 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 473 L C 2.549 179.440 176.870 0.035 0.000 1.080 473 L CA 1.140 56.001 54.840 0.035 0.000 0.754 473 L CB -0.232 41.874 42.059 0.078 0.000 0.893 473 L HN 0.011 nan 8.230 nan 0.000 0.433 474 E N -0.181 120.034 120.200 0.026 0.000 2.110 474 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 474 E C 1.973 178.589 176.600 0.026 0.000 0.988 474 E CA 1.813 58.230 56.400 0.027 0.000 0.804 474 E CB 0.035 29.750 29.700 0.025 0.000 0.745 474 E HN 0.438 nan 8.360 nan 0.000 0.458 475 T N 1.514 116.081 114.554 0.022 0.000 2.746 475 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 475 T C 2.064 176.778 174.700 0.024 0.000 1.039 475 T CA 1.222 63.335 62.100 0.022 0.000 1.142 475 T CB -0.161 68.718 68.868 0.019 0.000 0.866 475 T HN 0.184 nan 8.240 nan 0.000 0.444 476 I N 1.282 121.868 120.570 0.026 0.000 2.226 476 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 476 I C 2.903 179.043 176.117 0.039 0.000 1.100 476 I CA 1.143 62.463 61.300 0.034 0.000 1.374 476 I CB -0.463 37.564 38.000 0.044 0.000 1.057 476 I HN 0.208 nan 8.210 nan 0.000 0.413 477 A N 0.569 123.413 122.820 0.039 0.000 1.902 477 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 477 A C 2.419 180.022 177.584 0.031 0.000 1.181 477 A CA 1.729 53.790 52.037 0.039 0.000 0.623 477 A CB -0.575 18.449 19.000 0.039 0.000 0.818 477 A HN 0.329 nan 8.150 nan 0.000 0.443 478 R N -0.565 119.951 120.500 0.026 0.000 2.090 478 R HA 0.087 4.427 4.340 -0.001 0.000 0.228 478 R C 1.593 177.902 176.300 0.016 0.000 1.110 478 R CA 1.096 57.208 56.100 0.021 0.000 0.973 478 R CB -0.258 30.053 30.300 0.019 0.000 0.869 478 R HN 0.507 nan 8.270 nan 0.000 0.440 479 L N 0.497 121.730 121.223 0.017 0.000 2.554 479 L HA 0.057 4.396 4.340 -0.001 0.000 0.226 479 L C 0.347 177.228 176.870 0.019 0.000 1.137 479 L CA -0.051 54.796 54.840 0.012 0.000 0.863 479 L CB -0.276 41.792 42.059 0.014 0.000 0.985 479 L HN 0.305 nan 8.230 nan 0.000 0.451 480 N N 1.148 119.863 118.700 0.026 0.000 2.714 480 N HA -0.212 4.528 4.740 -0.001 0.000 0.252 480 N C -0.520 175.011 175.510 0.035 0.000 1.014 480 N CA 0.470 53.538 53.050 0.031 0.000 0.735 480 N CB -1.226 37.276 38.487 0.025 0.000 0.924 480 N HN 0.258 nan 8.380 nan 0.000 0.540 481 L N 0.741 121.987 121.223 0.039 0.000 2.315 481 L HA 0.301 4.641 4.340 -0.001 0.000 0.283 481 L C -1.325 175.581 176.870 0.059 0.000 1.089 481 L CA -1.554 53.313 54.840 0.045 0.000 0.833 481 L CB 0.790 42.874 42.059 0.041 0.000 1.170 481 L HN 0.075 nan 8.230 nan 0.000 0.442 482 P HA 0.124 nan 4.420 nan 0.000 0.228 482 P C -0.055 177.312 177.300 0.111 0.000 1.748 482 P CA 0.001 63.150 63.100 0.082 0.000 0.909 482 P CB -0.328 31.414 31.700 0.070 0.000 1.882 483 I N 0.205 120.840 120.570 0.108 0.000 2.529 483 I HA 0.069 4.239 4.170 -0.001 0.000 0.284 483 I C 0.638 176.831 176.117 0.128 0.000 1.082 483 I CA -0.461 60.917 61.300 0.130 0.000 1.406 483 I CB 1.080 39.138 38.000 0.096 0.000 1.405 483 I HN -0.135 nan 8.210 nan 0.000 0.548 484 V N 5.411 125.407 119.914 0.137 0.000 2.370 484 V HA 0.318 4.438 4.120 -0.001 0.000 0.279 484 V C 0.135 176.200 176.094 -0.048 0.000 1.029 484 V CA -0.401 61.902 62.300 0.005 0.000 0.870 484 V CB 1.271 32.954 31.823 -0.232 0.000 0.984 484 V HN 0.736 nan 8.190 nan 0.000 0.451 485 T N 4.570 119.071 114.554 -0.087 0.000 2.797 485 T HA 0.560 4.909 4.350 -0.001 0.000 0.279 485 T C -0.387 174.160 174.700 -0.254 0.000 0.991 485 T CA -0.363 61.654 62.100 -0.138 0.000 0.979 485 T CB 1.677 70.471 68.868 -0.123 0.000 0.943 485 T HN 0.335 nan 8.240 nan 0.000 0.444 486 V N 4.210 123.969 119.914 -0.259 0.000 2.357 486 V HA 0.373 4.493 4.120 -0.001 0.000 0.284 486 V C -0.170 175.670 176.094 -0.424 0.000 1.018 486 V CA -0.742 61.378 62.300 -0.300 0.000 0.841 486 V CB 1.669 33.371 31.823 -0.201 0.000 0.991 486 V HN 0.708 nan 8.190 nan 0.000 0.437 487 V N 6.269 125.853 119.914 -0.550 0.000 2.333 487 V HA 0.279 4.398 4.120 -0.001 0.000 0.274 487 V C 0.122 175.912 176.094 -0.507 0.000 1.028 487 V CA -0.605 61.266 62.300 -0.715 0.000 0.851 487 V CB 1.692 32.853 31.823 -1.103 0.000 1.000 487 V HN 0.722 nan 8.190 nan 0.000 0.456 488 V N 2.461 122.092 119.914 -0.472 0.000 2.389 488 V HA 0.529 4.649 4.120 -0.001 0.000 0.264 488 V C 0.042 175.979 176.094 -0.262 0.000 1.049 488 V CA -0.411 61.687 62.300 -0.337 0.000 0.932 488 V CB 0.946 32.583 31.823 -0.310 0.000 1.011 488 V HN 0.739 nan 8.190 nan 0.000 0.475 489 N N 4.932 123.525 118.700 -0.177 0.000 2.444 489 N HA 0.372 5.112 4.740 -0.001 0.000 0.262 489 N C 0.171 175.674 175.510 -0.011 0.000 0.974 489 N CA -0.444 52.578 53.050 -0.046 0.000 0.933 489 N CB 1.490 39.998 38.487 0.036 0.000 1.137 489 N HN 0.898 nan 8.380 nan 0.000 0.498 490 N N 2.293 121.034 118.700 0.068 0.000 2.291 490 N HA 0.066 4.805 4.740 -0.001 0.000 0.244 490 N C -1.047 174.550 175.510 0.145 0.000 1.216 490 N CA -0.196 52.895 53.050 0.068 0.000 0.879 490 N CB 0.003 38.512 38.487 0.036 0.000 1.167 490 N HN 0.458 nan 8.380 nan 0.000 0.515 491 D N -0.045 120.485 120.400 0.217 0.000 2.751 491 D HA -0.140 4.500 4.640 -0.001 0.000 0.233 491 D C -0.926 175.553 176.300 0.298 0.000 1.149 491 D CA 1.187 55.366 54.000 0.300 0.000 0.682 491 D CB -1.706 39.200 40.800 0.177 0.000 1.068 491 D HN 0.445 nan 8.370 nan 0.000 0.429 492 T N 0.226 114.974 114.554 0.323 0.000 2.932 492 T HA 0.207 4.557 4.350 -0.001 0.000 0.318 492 T C -0.101 174.736 174.700 0.229 0.000 1.265 492 T CA -0.827 61.330 62.100 0.094 0.000 1.036 492 T CB 1.524 70.472 68.868 0.133 0.000 1.209 492 T HN -0.147 nan 8.240 nan 0.000 0.484 493 N N 1.848 120.572 118.700 0.040 0.000 2.671 493 N HA 0.194 4.934 4.740 -0.001 0.000 0.274 493 N C 1.450 177.058 175.510 0.162 0.000 1.188 493 N CA -0.040 53.135 53.050 0.207 0.000 1.065 493 N CB 0.726 39.304 38.487 0.152 0.000 1.415 493 N HN 0.895 nan 8.380 nan 0.000 0.511 494 G N 1.497 110.445 108.800 0.247 0.000 2.422 494 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 494 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 494 G C 1.447 176.351 174.900 0.007 0.000 1.146 494 G CA 0.085 45.319 45.100 0.222 0.000 0.769 494 G HN 0.489 nan 8.290 nan 0.000 0.547 495 L N 0.409 121.640 121.223 0.013 0.000 2.081 495 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 495 L C 2.638 179.479 176.870 -0.048 0.000 1.080 495 L CA 1.181 55.968 54.840 -0.088 0.000 0.754 495 L CB -0.212 41.905 42.059 0.097 0.000 0.893 495 L HN 0.144 nan 8.230 nan 0.000 0.433 496 I N -0.386 120.204 120.570 0.034 0.000 2.353 496 I HA -0.240 3.929 4.170 -0.001 0.000 0.248 496 I C 2.384 178.493 176.117 -0.013 0.000 1.119 496 I CA 1.071 62.399 61.300 0.047 0.000 1.417 496 I CB -1.320 36.695 38.000 0.025 0.000 1.078 496 I HN 0.369 nan 8.210 nan 0.000 0.421 497 E N 1.376 121.559 120.200 -0.028 0.000 2.118 497 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 497 E C 2.423 178.905 176.600 -0.197 0.000 0.992 497 E CA 0.932 57.329 56.400 -0.004 0.000 0.804 497 E CB 0.006 29.806 29.700 0.167 0.000 0.741 497 E HN 0.402 nan 8.360 nan 0.000 0.458 498 L N -0.046 120.820 121.223 -0.594 0.000 1.989 498 L HA -0.228 4.112 4.340 -0.001 0.000 0.211 498 L C 2.105 178.570 176.870 -0.676 0.000 1.071 498 L CA 1.698 55.850 54.840 -1.147 0.000 0.749 498 L CB -0.373 40.737 42.059 -1.582 0.000 0.890 498 L HN 0.314 nan 8.230 nan 0.000 0.431 499 Y N 0.406 120.471 120.300 -0.391 0.000 2.274 499 Y HA -0.260 4.290 4.550 -0.001 0.000 0.290 499 Y C 2.823 178.636 175.900 -0.144 0.000 1.145 499 Y CA 1.356 59.311 58.100 -0.243 0.000 1.203 499 Y CB -0.341 38.016 38.460 -0.172 0.000 0.984 499 Y HN 0.325 nan 8.280 nan 0.000 0.533 500 Q N -0.141 119.663 119.800 0.008 0.000 2.061 500 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 500 Q C 1.904 177.919 176.000 0.026 0.000 0.984 500 Q CA 1.528 57.335 55.803 0.008 0.000 0.846 500 Q CB -0.266 28.454 28.738 -0.030 0.000 0.902 500 Q HN 0.560 nan 8.270 nan 0.000 0.421 501 N N 0.464 119.132 118.700 -0.052 0.000 2.216 501 N HA -0.075 4.665 4.740 -0.001 0.000 0.183 501 N C 1.930 177.351 175.510 -0.149 0.000 1.017 501 N CA 0.853 53.875 53.050 -0.046 0.000 0.861 501 N CB -0.048 38.442 38.487 0.005 0.000 0.986 501 N HN 0.238 nan 8.380 nan 0.000 0.428 502 I N 0.865 121.315 120.570 -0.201 0.000 2.163 502 I HA -0.209 3.961 4.170 -0.001 0.000 0.243 502 I C 2.421 178.389 176.117 -0.249 0.000 1.085 502 I CA 1.512 62.686 61.300 -0.211 0.000 1.347 502 I CB -0.430 37.429 38.000 -0.235 0.000 1.044 502 I HN 0.159 nan 8.210 nan 0.000 0.408 503 G N -1.282 107.438 108.800 -0.133 0.000 2.453 503 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.215 503 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.215 503 G C 1.052 175.720 174.900 -0.388 0.000 1.147 503 G CA 0.404 45.394 45.100 -0.184 0.000 0.802 503 G HN 0.441 nan 8.290 nan 0.000 0.535 504 H N -1.791 117.146 119.070 -0.222 0.000 3.360 504 H HA 0.250 4.805 4.556 -0.000 0.000 0.262 504 H C 0.488 175.795 175.328 -0.035 0.000 1.149 504 H CA -0.374 55.609 56.048 -0.108 0.000 1.181 504 H CB 0.334 30.077 29.762 -0.031 0.000 1.564 504 H HN 0.322 nan 8.280 nan 0.000 0.565 505 H N 0.220 119.364 119.070 0.123 0.000 2.899 505 H HA -0.162 4.393 4.556 -0.001 0.000 0.282 505 H C 0.033 175.418 175.328 0.096 0.000 1.198 505 H CA 1.267 57.368 56.048 0.088 0.000 1.140 505 H CB -1.344 28.456 29.762 0.063 0.000 1.317 505 H HN 0.613 nan 8.280 nan 0.000 0.375 506 R N -1.774 118.826 120.500 0.165 0.000 2.728 506 R HA 0.601 4.941 4.340 -0.001 0.000 0.274 506 R C -1.200 175.154 176.300 0.090 0.000 1.032 506 R CA -0.656 55.522 56.100 0.129 0.000 0.866 506 R CB 0.933 31.306 30.300 0.122 0.000 1.263 506 R HN -0.031 nan 8.270 nan 0.000 0.475 507 S N -0.228 115.522 115.700 0.083 0.000 2.693 507 S HA 0.333 4.803 4.470 -0.001 0.000 0.276 507 S C -0.917 173.734 174.600 0.085 0.000 1.192 507 S CA -0.461 57.779 58.200 0.066 0.000 0.994 507 S CB 0.614 63.852 63.200 0.062 0.000 1.012 507 S HN 0.632 nan 8.310 nan 0.000 0.550 508 H N 0.065 119.109 119.070 -0.044 0.000 3.172 508 H HA 0.316 4.872 4.556 -0.000 0.000 0.322 508 H C -0.347 174.954 175.328 -0.046 0.000 1.003 508 H CA -0.475 55.544 56.048 -0.048 0.000 1.466 508 H CB 0.513 30.229 29.762 -0.077 0.000 1.673 508 H HN 0.444 nan 8.280 nan 0.000 0.512 509 D N 4.847 125.086 120.400 -0.270 0.000 2.144 509 D HA -0.090 4.550 4.640 -0.001 0.000 0.199 509 D C -0.802 175.411 176.300 -0.145 0.000 0.984 509 D CA 0.675 54.572 54.000 -0.173 0.000 0.834 509 D CB -0.834 39.872 40.800 -0.157 0.000 0.955 509 D HN 0.545 nan 8.370 nan 0.000 0.465 510 P HA -0.098 nan 4.420 nan 0.000 0.218 510 P C 0.832 178.161 177.300 0.049 0.000 1.146 510 P CA 1.561 64.647 63.100 -0.023 0.000 0.813 510 P CB 0.034 31.766 31.700 0.054 0.000 0.778 511 A N -1.362 121.517 122.820 0.100 0.000 2.195 511 A HA 0.115 4.435 4.320 -0.001 0.000 0.210 511 A C 1.689 179.250 177.584 -0.037 0.000 1.165 511 A CA 1.137 53.201 52.037 0.046 0.000 0.806 511 A CB -0.490 18.544 19.000 0.058 0.000 0.847 511 A HN 0.205 nan 8.150 nan 0.000 0.482 512 V N -5.803 114.049 119.914 -0.102 0.000 3.359 512 V HA 0.350 4.470 4.120 -0.001 0.000 0.270 512 V C -0.085 175.752 176.094 -0.428 0.000 1.583 512 V CA -0.348 61.830 62.300 -0.203 0.000 1.019 512 V CB -0.084 31.685 31.823 -0.089 0.000 0.831 512 V HN 0.067 nan 8.190 nan 0.000 0.426 513 K N 1.516 121.711 120.400 -0.343 0.000 2.156 513 K HA 0.635 4.955 4.320 -0.001 0.000 0.271 513 K C -1.240 175.157 176.600 -0.338 0.000 0.995 513 K CA -0.282 55.812 56.287 -0.322 0.000 0.890 513 K CB 1.804 34.231 32.500 -0.122 0.000 1.073 513 K HN 0.281 nan 8.250 nan 0.000 0.454 514 F N -0.516 119.479 119.950 0.076 0.000 2.509 514 F HA 0.472 4.999 4.527 -0.001 0.000 0.334 514 F C 1.403 177.227 175.800 0.040 0.000 1.060 514 F CA -0.767 57.273 58.000 0.068 0.000 0.997 514 F CB 0.613 39.670 39.000 0.094 0.000 1.271 514 F HN 0.574 nan 8.300 nan 0.000 0.488 515 G N -0.586 108.358 108.800 0.241 0.000 2.510 515 G HA2 0.471 4.431 3.960 -0.001 0.000 0.280 515 G HA3 0.471 4.431 3.960 -0.001 0.000 0.280 515 G C -0.245 174.707 174.900 0.086 0.000 1.386 515 G CA -0.530 44.642 45.100 0.119 0.000 1.047 515 G HN 0.876 nan 8.290 nan 0.000 0.527 516 G N -1.642 107.166 108.800 0.014 0.000 2.390 516 G HA2 0.469 4.429 3.960 -0.001 0.000 0.270 516 G HA3 0.469 4.429 3.960 -0.001 0.000 0.270 516 G C -0.885 173.929 174.900 -0.143 0.000 1.211 516 G CA -0.132 44.943 45.100 -0.041 0.000 0.842 516 G HN 0.571 nan 8.290 nan 0.000 0.519 517 V N 2.752 122.503 119.914 -0.272 0.000 2.487 517 V HA 0.234 4.354 4.120 -0.001 0.000 0.298 517 V C -0.748 174.993 176.094 -0.587 0.000 1.028 517 V CA -0.911 61.050 62.300 -0.565 0.000 0.860 517 V CB 1.916 33.086 31.823 -1.089 0.000 0.991 517 V HN 0.777 nan 8.190 nan 0.000 0.427 518 D N 3.500 123.635 120.400 -0.441 0.000 2.441 518 D HA 0.263 4.903 4.640 -0.001 0.000 0.221 518 D C 0.588 176.685 176.300 -0.338 0.000 1.156 518 D CA -0.229 53.598 54.000 -0.288 0.000 0.896 518 D CB 0.604 41.305 40.800 -0.166 0.000 1.028 518 D HN 0.348 nan 8.370 nan 0.000 0.509 519 F N 2.164 122.029 119.950 -0.141 0.000 2.293 519 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 519 F C 2.344 178.069 175.800 -0.126 0.000 1.086 519 F CA 0.269 58.187 58.000 -0.136 0.000 1.375 519 F CB -0.273 38.608 39.000 -0.198 0.000 1.045 519 F HN 0.274 nan 8.300 nan 0.000 0.516 520 V N 0.175 120.093 119.914 0.008 0.000 2.237 520 V HA -0.337 3.783 4.120 -0.001 0.000 0.245 520 V C 2.643 178.710 176.094 -0.045 0.000 1.046 520 V CA 1.983 64.249 62.300 -0.056 0.000 1.007 520 V CB -1.424 30.354 31.823 -0.075 0.000 0.638 520 V HN 0.350 nan 8.190 nan 0.000 0.445 521 A N -0.453 122.336 122.820 -0.051 0.000 1.940 521 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 521 A C 2.185 179.751 177.584 -0.030 0.000 1.176 521 A CA 2.170 54.180 52.037 -0.045 0.000 0.631 521 A CB -0.633 18.331 19.000 -0.060 0.000 0.814 521 A HN 0.450 nan 8.150 nan 0.000 0.446 522 L N -0.217 120.985 121.223 -0.035 0.000 1.989 522 L HA -0.160 4.180 4.340 -0.001 0.000 0.211 522 L C 2.812 179.719 176.870 0.063 0.000 1.071 522 L CA 2.321 57.168 54.840 0.012 0.000 0.749 522 L CB -0.716 41.361 42.059 0.030 0.000 0.890 522 L HN 0.369 nan 8.230 nan 0.000 0.431 523 A N -1.117 121.750 122.820 0.078 0.000 1.908 523 A HA -0.288 4.031 4.320 -0.001 0.000 0.218 523 A C 2.242 179.844 177.584 0.031 0.000 1.181 523 A CA 2.120 54.197 52.037 0.065 0.000 0.627 523 A CB -0.721 18.285 19.000 0.011 0.000 0.818 523 A HN 0.605 nan 8.150 nan 0.000 0.445 524 E N -0.680 119.525 120.200 0.008 0.000 2.152 524 E HA 0.008 4.358 4.350 -0.001 0.000 0.192 524 E C 2.212 178.820 176.600 0.014 0.000 0.983 524 E CA 0.697 57.102 56.400 0.008 0.000 0.818 524 E CB -0.227 29.471 29.700 -0.004 0.000 0.758 524 E HN 0.619 nan 8.360 nan 0.000 0.467 525 A N 1.303 124.131 122.820 0.014 0.000 1.978 525 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 525 A C 1.706 179.303 177.584 0.022 0.000 1.170 525 A CA 1.235 53.281 52.037 0.015 0.000 0.636 525 A CB -0.289 18.718 19.000 0.012 0.000 0.810 525 A HN 0.183 nan 8.150 nan 0.000 0.448 526 N N -0.933 117.786 118.700 0.032 0.000 2.398 526 N HA 0.121 4.861 4.740 -0.001 0.000 0.188 526 N C 0.982 176.513 175.510 0.034 0.000 1.122 526 N CA 0.860 53.931 53.050 0.035 0.000 0.866 526 N CB 0.364 38.880 38.487 0.047 0.000 0.970 526 N HN 0.628 nan 8.380 nan 0.000 0.462 527 G N 0.612 109.431 108.800 0.032 0.000 2.137 527 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.237 527 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.237 527 G C -0.207 174.719 174.900 0.043 0.000 1.002 527 G CA -0.074 45.047 45.100 0.034 0.000 0.702 527 G HN 0.163 nan 8.290 nan 0.000 0.515 528 V N 1.546 121.486 119.914 0.042 0.000 2.357 528 V HA 0.382 4.502 4.120 -0.001 0.000 0.284 528 V C 0.057 176.171 176.094 0.033 0.000 1.018 528 V CA -1.265 61.065 62.300 0.049 0.000 0.841 528 V CB 1.574 33.424 31.823 0.044 0.000 0.991 528 V HN 0.270 nan 8.190 nan 0.000 0.437 529 D N 3.597 124.051 120.400 0.090 0.000 2.423 529 D HA 0.575 5.214 4.640 -0.001 0.000 0.238 529 D C 0.217 176.445 176.300 -0.119 0.000 1.142 529 D CA 0.508 54.575 54.000 0.113 0.000 0.884 529 D CB 1.725 42.707 40.800 0.303 0.000 1.199 529 D HN 0.808 nan 8.370 nan 0.000 0.438 530 A N 0.604 123.289 122.820 -0.225 0.000 2.581 530 A HA 0.727 5.047 4.320 -0.001 0.000 0.290 530 A C -0.630 176.746 177.584 -0.346 0.000 1.119 530 A CA -0.556 51.136 52.037 -0.576 0.000 0.670 530 A CB 2.292 21.091 19.000 -0.334 0.000 1.280 530 A HN 0.461 nan 8.150 nan 0.000 0.425 531 T N -0.766 113.566 114.554 -0.370 0.000 2.786 531 T HA 0.557 4.907 4.350 -0.001 0.000 0.316 531 T C -1.414 173.204 174.700 -0.137 0.000 1.503 531 T CA -0.535 61.480 62.100 -0.141 0.000 1.019 531 T CB 1.331 70.211 68.868 0.020 0.000 1.415 531 T HN 0.940 nan 8.240 nan 0.000 0.496 532 R N 1.269 121.723 120.500 -0.076 0.000 2.474 532 R HA 0.822 5.162 4.340 -0.001 0.000 0.295 532 R C -1.141 175.126 176.300 -0.055 0.000 0.980 532 R CA -0.475 55.581 56.100 -0.072 0.000 0.934 532 R CB 1.186 31.454 30.300 -0.054 0.000 1.101 532 R HN 0.725 nan 8.270 nan 0.000 0.469 533 A N 1.801 124.582 122.820 -0.065 0.000 2.398 533 A HA 0.374 4.694 4.320 -0.001 0.000 0.301 533 A C 0.005 177.554 177.584 -0.058 0.000 1.041 533 A CA -0.582 51.424 52.037 -0.052 0.000 0.711 533 A CB 1.727 20.696 19.000 -0.052 0.000 1.240 533 A HN 0.861 nan 8.150 nan 0.000 0.420 534 T N -1.730 112.797 114.554 -0.045 0.000 3.043 534 T HA 0.319 4.668 4.350 -0.001 0.000 0.272 534 T C 0.147 174.825 174.700 -0.036 0.000 0.990 534 T CA 0.403 62.477 62.100 -0.045 0.000 0.897 534 T CB -0.655 68.192 68.868 -0.035 0.000 1.111 534 T HN 0.989 nan 8.240 nan 0.000 0.529 535 N N -0.262 118.417 118.700 -0.033 0.000 3.039 535 N HA 0.425 5.164 4.740 -0.001 0.000 0.257 535 N C 0.431 175.924 175.510 -0.028 0.000 1.497 535 N CA -1.133 51.901 53.050 -0.027 0.000 0.861 535 N CB 0.944 39.419 38.487 -0.021 0.000 1.479 535 N HN -0.169 nan 8.380 nan 0.000 0.547 536 R N -0.142 120.344 120.500 -0.023 0.000 2.083 536 R HA -0.154 4.186 4.340 -0.001 0.000 0.237 536 R C 1.457 177.749 176.300 -0.014 0.000 1.137 536 R CA 1.983 58.071 56.100 -0.019 0.000 0.951 536 R CB -0.320 29.971 30.300 -0.014 0.000 0.851 536 R HN 0.787 nan 8.270 nan 0.000 0.434 537 E N 0.895 121.087 120.200 -0.013 0.000 2.058 537 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 537 E C 1.727 178.321 176.600 -0.009 0.000 0.997 537 E CA 1.525 57.919 56.400 -0.010 0.000 0.801 537 E CB 0.112 29.805 29.700 -0.011 0.000 0.746 537 E HN 0.378 nan 8.360 nan 0.000 0.450 538 E N 0.043 120.236 120.200 -0.012 0.000 2.106 538 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 538 E C 2.111 178.705 176.600 -0.009 0.000 0.984 538 E CA 0.706 57.100 56.400 -0.010 0.000 0.806 538 E CB -0.046 29.645 29.700 -0.015 0.000 0.750 538 E HN 0.197 nan 8.360 nan 0.000 0.458 539 L N 0.873 122.085 121.223 -0.019 0.000 2.056 539 L HA -0.130 4.210 4.340 -0.001 0.000 0.207 539 L C 1.985 178.846 176.870 -0.015 0.000 1.078 539 L CA 1.487 56.312 54.840 -0.026 0.000 0.749 539 L CB -0.339 41.697 42.059 -0.039 0.000 0.901 539 L HN 0.111 nan 8.230 nan 0.000 0.433 540 L N -0.675 120.544 121.223 -0.006 0.000 2.046 540 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 540 L C 2.647 179.518 176.870 0.001 0.000 1.077 540 L CA 1.214 56.056 54.840 0.004 0.000 0.747 540 L CB -0.892 41.172 42.059 0.010 0.000 0.896 540 L HN 0.368 nan 8.230 nan 0.000 0.432 541 A N -0.092 122.728 122.820 -0.001 0.000 1.902 541 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 541 A C 2.509 180.091 177.584 -0.004 0.000 1.181 541 A CA 1.733 53.768 52.037 -0.004 0.000 0.623 541 A CB -0.683 18.316 19.000 -0.002 0.000 0.818 541 A HN 0.401 nan 8.150 nan 0.000 0.443 542 A N -0.444 122.392 122.820 0.027 0.000 1.898 542 A HA 0.042 4.362 4.320 -0.001 0.000 0.216 542 A C 2.159 179.785 177.584 0.070 0.000 1.181 542 A CA 1.356 53.458 52.037 0.108 0.000 0.620 542 A CB -0.541 18.542 19.000 0.138 0.000 0.819 542 A HN 0.453 nan 8.150 nan 0.000 0.442 543 L N -1.169 120.047 121.223 -0.012 0.000 2.056 543 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 543 L C 2.849 179.674 176.870 -0.075 0.000 1.078 543 L CA 1.407 56.185 54.840 -0.104 0.000 0.749 543 L CB -0.376 41.612 42.059 -0.119 0.000 0.901 543 L HN 0.321 nan 8.230 nan 0.000 0.433 544 R N -0.176 120.305 120.500 -0.032 0.000 2.092 544 R HA -0.170 4.170 4.340 -0.001 0.000 0.231 544 R C 2.316 178.571 176.300 -0.076 0.000 1.119 544 R CA 1.221 57.310 56.100 -0.017 0.000 0.970 544 R CB -0.163 30.133 30.300 -0.005 0.000 0.864 544 R HN 0.249 nan 8.270 nan 0.000 0.440 545 K N 0.134 120.447 120.400 -0.145 0.000 2.001 545 K HA -0.102 4.217 4.320 -0.001 0.000 0.208 545 K C 2.086 178.437 176.600 -0.415 0.000 1.048 545 K CA 1.670 57.792 56.287 -0.274 0.000 0.932 545 K CB -0.344 31.951 32.500 -0.340 0.000 0.715 545 K HN 0.222 nan 8.250 nan 0.000 0.437 546 G N 0.486 108.987 108.800 -0.498 0.000 2.440 546 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.218 546 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.218 546 G C 1.589 176.423 174.900 -0.110 0.000 1.154 546 G CA 1.042 45.921 45.100 -0.368 0.000 0.767 546 G HN 0.471 nan 8.290 nan 0.000 0.552 547 A N 0.305 123.104 122.820 -0.035 0.000 1.972 547 A HA 0.037 4.357 4.320 -0.001 0.000 0.219 547 A C 2.097 179.708 177.584 0.046 0.000 1.169 547 A CA 1.812 53.911 52.037 0.104 0.000 0.635 547 A CB -0.216 18.910 19.000 0.210 0.000 0.810 547 A HN 0.462 nan 8.150 nan 0.000 0.446 548 E N -1.289 118.896 120.200 -0.024 0.000 2.472 548 E HA 0.100 4.450 4.350 -0.001 0.000 0.196 548 E C 1.437 178.006 176.600 -0.053 0.000 1.033 548 E CA -0.235 56.147 56.400 -0.030 0.000 0.886 548 E CB 0.110 29.785 29.700 -0.042 0.000 0.944 548 E HN 0.431 nan 8.360 nan 0.000 0.492 549 L N 0.252 121.420 121.223 -0.092 0.000 2.191 549 L HA -0.011 4.329 4.340 -0.001 0.000 0.212 549 L C 1.467 178.314 176.870 -0.038 0.000 1.103 549 L CA 1.940 56.719 54.840 -0.102 0.000 0.769 549 L CB -0.400 41.556 42.059 -0.171 0.000 0.908 549 L HN 0.271 nan 8.230 nan 0.000 0.438 550 G N -0.379 108.416 108.800 -0.009 0.000 2.153 550 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.252 550 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.252 550 G C 0.501 175.414 174.900 0.023 0.000 0.994 550 G CA 0.594 45.700 45.100 0.010 0.000 0.698 550 G HN 0.456 nan 8.290 nan 0.000 0.521 551 R N -0.626 119.894 120.500 0.033 0.000 2.734 551 R HA 0.440 4.780 4.340 -0.001 0.000 0.271 551 R C -2.840 173.515 176.300 0.091 0.000 1.021 551 R CA -1.892 54.241 56.100 0.056 0.000 0.893 551 R CB 2.086 32.420 30.300 0.056 0.000 1.244 551 R HN 0.026 nan 8.270 nan 0.000 0.464 552 P HA 0.108 nan 4.420 nan 0.000 0.269 552 P C -1.083 176.348 177.300 0.218 0.000 1.215 552 P CA 0.238 63.416 63.100 0.129 0.000 0.780 552 P CB 0.471 32.227 31.700 0.094 0.000 0.898 553 F N 2.013 121.958 119.950 -0.009 0.000 2.608 553 F HA 0.594 5.120 4.527 -0.001 0.000 0.309 553 F C -1.655 174.111 175.800 -0.058 0.000 1.103 553 F CA -1.063 56.917 58.000 -0.034 0.000 0.954 553 F CB 1.574 40.542 39.000 -0.052 0.000 1.267 553 F HN 0.174 nan 8.300 nan 0.000 0.444 554 L N 6.196 127.041 121.223 -0.630 0.000 2.401 554 L HA 0.762 5.101 4.340 -0.001 0.000 0.266 554 L C -1.701 174.789 176.870 -0.632 0.000 0.991 554 L CA -0.523 54.031 54.840 -0.477 0.000 0.818 554 L CB 1.888 43.771 42.059 -0.294 0.000 1.321 554 L HN 0.590 nan 8.230 nan 0.000 0.413 555 I N 3.712 124.025 120.570 -0.428 0.000 2.447 555 I HA 0.373 4.542 4.170 -0.001 0.000 0.287 555 I C -0.641 175.300 176.117 -0.292 0.000 1.023 555 I CA -0.435 60.666 61.300 -0.332 0.000 1.083 555 I CB 1.975 39.842 38.000 -0.223 0.000 1.245 555 I HN 0.591 nan 8.210 nan 0.000 0.434 556 E N 6.038 126.101 120.200 -0.228 0.000 2.174 556 E HA 0.546 4.895 4.350 -0.001 0.000 0.282 556 E C -1.532 174.975 176.600 -0.154 0.000 0.992 556 E CA -0.561 55.724 56.400 -0.191 0.000 0.803 556 E CB 1.671 31.322 29.700 -0.083 0.000 1.090 556 E HN 0.367 nan 8.360 nan 0.000 0.396 557 V N 7.245 127.055 119.914 -0.174 0.000 2.443 557 V HA 0.348 4.468 4.120 -0.001 0.000 0.293 557 V C -2.265 173.744 176.094 -0.141 0.000 1.021 557 V CA -1.835 60.378 62.300 -0.146 0.000 0.848 557 V CB 1.523 33.250 31.823 -0.160 0.000 0.998 557 V HN 0.693 nan 8.190 nan 0.000 0.424 558 P HA 0.309 nan 4.420 nan 0.000 0.276 558 P C -0.653 176.558 177.300 -0.148 0.000 1.235 558 P CA 0.151 63.190 63.100 -0.102 0.000 0.772 558 P CB 1.678 33.336 31.700 -0.070 0.000 0.871 559 V N 0.934 120.733 119.914 -0.193 0.000 3.130 559 V HA 0.685 4.805 4.120 -0.001 0.000 0.310 559 V C -0.811 175.079 176.094 -0.340 0.000 1.158 559 V CA -0.976 61.145 62.300 -0.297 0.000 1.029 559 V CB 2.166 33.745 31.823 -0.407 0.000 1.057 559 V HN 0.477 nan 8.190 nan 0.000 0.436 560 N N -0.367 118.080 118.700 -0.421 0.000 2.571 560 N HA 0.677 5.417 4.740 -0.001 0.000 0.273 560 N C -0.990 174.226 175.510 -0.490 0.000 1.340 560 N CA -0.527 52.276 53.050 -0.411 0.000 0.789 560 N CB 2.240 40.599 38.487 -0.214 0.000 1.514 560 N HN 0.745 nan 8.380 nan 0.000 0.499 561 Y N -0.168 120.108 120.300 -0.041 0.000 2.594 561 Y HA 0.243 4.793 4.550 -0.000 0.000 0.283 561 Y C 0.075 176.004 175.900 0.048 0.000 1.140 561 Y CA 0.097 58.257 58.100 0.099 0.000 1.261 561 Y CB 0.338 38.997 38.460 0.332 0.000 1.358 561 Y HN 0.497 nan 8.280 nan 0.000 0.513 562 D N 0.954 121.329 120.400 -0.042 0.000 2.927 562 D HA -0.188 4.451 4.640 -0.001 0.000 0.236 562 D C -1.100 175.281 176.300 0.134 0.000 1.163 562 D CA 0.303 54.272 54.000 -0.051 0.000 0.801 562 D CB -1.293 39.524 40.800 0.029 0.000 0.975 562 D HN 0.135 nan 8.370 nan 0.000 0.413 563 F N -0.707 119.418 119.950 0.292 0.000 2.378 563 F HA 0.684 5.211 4.527 -0.000 0.000 0.325 563 F C 0.792 176.746 175.800 0.257 0.000 1.097 563 F CA -1.272 56.927 58.000 0.332 0.000 1.079 563 F CB 0.558 39.695 39.000 0.227 0.000 1.240 563 F HN -0.139 nan 8.300 nan 0.000 0.519 564 Q N 2.464 122.617 119.800 0.589 0.000 2.430 564 Q HA 0.365 4.705 4.340 -0.001 0.000 0.245 564 Q C -1.949 174.308 176.000 0.429 0.000 1.021 564 Q CA -1.845 54.197 55.803 0.397 0.000 0.867 564 Q CB 1.343 30.231 28.738 0.250 0.000 1.210 564 Q HN 0.342 nan 8.270 nan 0.000 0.487 565 P HA -0.167 nan 4.420 nan 0.000 0.217 565 P C 0.964 178.393 177.300 0.215 0.000 1.148 565 P CA 1.213 64.419 63.100 0.178 0.000 0.828 565 P CB 0.359 32.131 31.700 0.119 0.000 0.783 566 G N -0.602 108.312 108.800 0.191 0.000 2.534 566 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.217 566 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.217 566 G C 1.480 176.421 174.900 0.069 0.000 1.128 566 G CA 0.603 45.782 45.100 0.132 0.000 0.784 566 G HN 0.404 nan 8.290 nan 0.000 0.542 567 G N -0.303 108.510 108.800 0.022 0.000 3.124 567 G HA2 0.245 4.204 3.960 -0.001 0.000 0.212 567 G HA3 0.245 4.204 3.960 -0.001 0.000 0.212 567 G C 0.268 174.907 174.900 -0.434 0.000 1.181 567 G CA -0.316 44.655 45.100 -0.214 0.000 0.803 567 G HN 0.313 nan 8.290 nan 0.000 0.529 568 F N 0.291 120.197 119.950 -0.072 0.000 2.855 568 F HA 0.304 4.831 4.527 -0.001 0.000 0.317 568 F C 2.013 177.720 175.800 -0.154 0.000 1.169 568 F CA -0.555 57.360 58.000 -0.141 0.000 1.299 568 F CB 0.890 39.753 39.000 -0.228 0.000 0.962 568 F HN 0.075 nan 8.300 nan 0.000 0.506 569 G N 0.232 109.025 108.800 -0.011 0.000 2.448 569 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.219 569 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.219 569 G C 1.866 176.737 174.900 -0.049 0.000 1.127 569 G CA 0.873 45.957 45.100 -0.027 0.000 0.766 569 G HN 0.421 nan 8.290 nan 0.000 0.552 570 A N 0.474 123.255 122.820 -0.065 0.000 2.125 570 A HA 0.151 4.471 4.320 -0.001 0.000 0.219 570 A C 2.188 179.713 177.584 -0.100 0.000 1.156 570 A CA 0.689 52.680 52.037 -0.077 0.000 0.671 570 A CB -0.262 18.695 19.000 -0.072 0.000 0.794 570 A HN 0.389 nan 8.150 nan 0.000 0.459 571 L N -0.078 121.074 121.223 -0.117 0.000 2.551 571 L HA -0.020 4.319 4.340 -0.001 0.000 0.228 571 L C 0.759 177.583 176.870 -0.078 0.000 1.153 571 L CA -0.045 54.704 54.840 -0.151 0.000 0.851 571 L CB -0.344 41.586 42.059 -0.214 0.000 0.959 571 L HN 0.249 nan 8.230 nan 0.000 0.451 572 S N 0.000 115.664 115.700 -0.060 0.000 2.498 572 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 572 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 572 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517