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 2c00_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLEKVLIANR GEIALRILRA CKELGIKTVA VHSTADRELM HLSLADESVC DATA SEQUENCE IGPAPATQSY LQIPAIIAAA EVTGATAIHP GYGFLAENAD FAEQIERSGF DATA SEQUENCE TFVGPTAEVI RLMGDKVSAK DAMKRAGVPT VPGSDGPLPE DEETALAIAR DATA SEQUENCE EVGYPVIIKA AGGXXXXGMR VVYDESELIK SAKLTRTEAG AXXGNPMVYL DATA SEQUENCE EKFLTNPRHV EVQVLSDGQG NAIHLGDRDC SLQRRHQKVI EEAPAPGIDE DATA SEQUENCE KARQEVFARC VQACIEIGYR GAGTFEFLYE NGRFYFIEMN TRVQVEHPVS DATA SEQUENCE EMVTGVDIVK EMLRIASGEK LSIRQEDVVI RGHALECRIN AEDPKTFMPS DATA SEQUENCE PGKVKHFHAP GGNGVRVDSH LYSGYSVPPN YDSLVGKVIT YGADRDEALA DATA SEQUENCE RMRNALDELI VDGIKTNTEL HKDLVRDAAF CKGGVNIHYL EKKLG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 2 L N 3.465 124.689 121.223 0.002 0.000 2.559 2 L HA 0.031 4.371 4.340 -0.000 0.000 0.282 2 L C 1.326 178.204 176.870 0.013 0.000 1.232 2 L CA 0.509 55.354 54.840 0.009 0.000 0.885 2 L CB 0.296 42.359 42.059 0.007 0.000 1.131 2 L HN 0.887 nan 8.230 nan 0.000 0.498 3 E N 2.830 123.042 120.200 0.020 0.000 2.051 3 E HA -0.043 4.307 4.350 -0.000 0.000 0.189 3 E C 0.388 177.002 176.600 0.023 0.000 0.979 3 E CA 0.813 57.225 56.400 0.020 0.000 0.803 3 E CB 0.447 30.162 29.700 0.025 0.000 0.761 3 E HN 0.500 nan 8.360 nan 0.000 0.451 4 K N 0.380 120.798 120.400 0.030 0.000 2.588 4 K HA 0.286 4.606 4.320 -0.000 0.000 0.250 4 K C -1.949 174.668 176.600 0.028 0.000 0.972 4 K CA -0.483 55.820 56.287 0.028 0.000 0.821 4 K CB 2.192 34.711 32.500 0.032 0.000 1.249 4 K HN -0.083 nan 8.250 nan 0.000 0.442 5 V N 5.605 125.532 119.914 0.021 0.000 2.398 5 V HA 0.358 4.478 4.120 -0.000 0.000 0.286 5 V C -0.129 175.974 176.094 0.014 0.000 1.026 5 V CA -0.925 61.387 62.300 0.021 0.000 0.868 5 V CB 1.467 33.309 31.823 0.033 0.000 0.982 5 V HN 0.737 nan 8.190 nan 0.000 0.443 6 L N 6.531 127.752 121.223 -0.004 0.000 2.290 6 L HA 0.544 4.884 4.340 -0.000 0.000 0.284 6 L C -0.354 176.537 176.870 0.035 0.000 1.078 6 L CA -0.223 54.614 54.840 -0.004 0.000 0.815 6 L CB 0.742 42.765 42.059 -0.059 0.000 1.162 6 L HN 0.552 nan 8.230 nan 0.000 0.435 7 I N 6.273 126.869 120.570 0.042 0.000 2.282 7 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 7 I C 0.598 176.745 176.117 0.049 0.000 1.090 7 I CA -0.222 61.098 61.300 0.034 0.000 1.231 7 I CB 1.146 39.149 38.000 0.005 0.000 1.434 7 I HN 0.707 nan 8.210 nan 0.000 0.487 8 A N 6.207 129.073 122.820 0.078 0.000 3.091 8 A HA 0.361 4.681 4.320 -0.000 0.000 0.264 8 A C 0.133 177.733 177.584 0.026 0.000 1.673 8 A CA 0.026 52.116 52.037 0.088 0.000 1.362 8 A CB -0.516 18.598 19.000 0.190 0.000 1.137 8 A HN 0.805 nan 8.150 nan 0.000 0.617 9 N N 0.081 118.754 118.700 -0.044 0.000 3.427 9 N HA 0.351 5.091 4.740 -0.000 0.000 0.313 9 N C -1.085 174.234 175.510 -0.318 0.000 1.491 9 N CA -0.356 52.569 53.050 -0.209 0.000 0.870 9 N CB 1.073 39.449 38.487 -0.185 0.000 1.763 9 N HN 0.660 nan 8.380 nan 0.000 0.502 10 R N -0.773 119.458 120.500 -0.448 0.000 2.810 10 R HA 0.729 5.069 4.340 -0.000 0.000 0.266 10 R C 0.588 176.584 176.300 -0.506 0.000 1.061 10 R CA -0.053 55.770 56.100 -0.461 0.000 0.943 10 R CB 0.245 30.151 30.300 -0.656 0.000 1.237 10 R HN 0.697 nan 8.270 nan 0.000 0.459 11 G N 1.038 109.504 108.800 -0.557 0.000 2.566 11 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.280 11 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.280 11 G C 0.676 175.102 174.900 -0.789 0.000 1.225 11 G CA 1.045 45.572 45.100 -0.956 0.000 0.966 11 G HN 1.000 nan 8.290 nan 0.000 0.560 12 E N -0.320 119.600 120.200 -0.466 0.000 2.072 12 E HA 0.066 4.416 4.350 -0.000 0.000 0.191 12 E C 2.486 178.996 176.600 -0.149 0.000 0.985 12 E CA 1.975 58.331 56.400 -0.072 0.000 0.801 12 E CB -0.162 29.637 29.700 0.166 0.000 0.750 12 E HN 0.756 nan 8.360 nan 0.000 0.452 13 I N 0.984 121.413 120.570 -0.234 0.000 2.394 13 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 13 I C 2.190 178.088 176.117 -0.365 0.000 1.136 13 I CA 1.147 62.268 61.300 -0.298 0.000 1.425 13 I CB -0.707 36.877 38.000 -0.694 0.000 1.079 13 I HN 0.248 nan 8.210 nan 0.000 0.425 14 A N 0.199 122.738 122.820 -0.470 0.000 1.883 14 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 14 A C 2.258 179.574 177.584 -0.448 0.000 1.186 14 A CA 2.061 53.757 52.037 -0.567 0.000 0.624 14 A CB -1.197 17.188 19.000 -1.026 0.000 0.822 14 A HN 0.483 nan 8.150 nan 0.000 0.444 15 L N -0.295 120.701 121.223 -0.377 0.000 2.046 15 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 15 L C 2.413 179.230 176.870 -0.089 0.000 1.077 15 L CA 2.518 57.273 54.840 -0.141 0.000 0.747 15 L CB -0.648 41.376 42.059 -0.058 0.000 0.896 15 L HN 0.426 nan 8.230 nan 0.000 0.432 16 R N 0.086 120.529 120.500 -0.095 0.000 2.096 16 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 16 R C 2.123 178.370 176.300 -0.087 0.000 1.139 16 R CA 2.329 58.403 56.100 -0.043 0.000 0.952 16 R CB -0.808 29.503 30.300 0.018 0.000 0.854 16 R HN 0.537 nan 8.270 nan 0.000 0.436 17 I N 0.085 120.546 120.570 -0.181 0.000 2.252 17 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 17 I C 2.307 178.357 176.117 -0.112 0.000 1.102 17 I CA 0.975 62.143 61.300 -0.219 0.000 1.385 17 I CB -0.274 37.485 38.000 -0.402 0.000 1.064 17 I HN 0.223 nan 8.210 nan 0.000 0.414 18 L N 0.881 122.054 121.223 -0.083 0.000 2.042 18 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 18 L C 2.764 179.627 176.870 -0.012 0.000 1.076 18 L CA 1.648 56.476 54.840 -0.019 0.000 0.749 18 L CB -0.269 41.808 42.059 0.030 0.000 0.893 18 L HN 0.104 nan 8.230 nan 0.000 0.432 19 R N -0.329 120.161 120.500 -0.017 0.000 2.073 19 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 19 R C 2.385 178.681 176.300 -0.007 0.000 1.134 19 R CA 1.335 57.431 56.100 -0.006 0.000 0.952 19 R CB -0.663 29.637 30.300 -0.000 0.000 0.850 19 R HN 0.544 nan 8.270 nan 0.000 0.433 20 A N 0.716 123.527 122.820 -0.015 0.000 1.883 20 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 20 A C 2.414 179.995 177.584 -0.005 0.000 1.186 20 A CA 1.622 53.653 52.037 -0.010 0.000 0.624 20 A CB -0.966 18.022 19.000 -0.020 0.000 0.822 20 A HN 0.473 nan 8.150 nan 0.000 0.444 21 C N -0.704 118.592 119.300 -0.007 0.000 2.413 21 C HA -0.105 4.355 4.460 -0.000 0.000 0.276 21 C C 2.726 177.717 174.990 0.003 0.000 1.236 21 C CA 1.381 60.400 59.018 0.002 0.000 1.735 21 C CB -1.116 26.626 27.740 0.003 0.000 2.031 21 C HN 0.627 nan 8.230 nan 0.000 0.474 22 K N 0.581 120.982 120.400 0.002 0.000 2.103 22 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 22 K C 1.878 178.479 176.600 0.002 0.000 1.048 22 K CA 1.488 57.776 56.287 0.002 0.000 0.930 22 K CB -0.246 32.256 32.500 0.002 0.000 0.716 22 K HN 0.617 nan 8.250 nan 0.000 0.444 23 E N 0.514 120.715 120.200 0.001 0.000 2.153 23 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 23 E C 1.529 178.129 176.600 0.001 0.000 0.988 23 E CA 0.795 57.196 56.400 0.001 0.000 0.811 23 E CB 0.042 29.742 29.700 0.001 0.000 0.746 23 E HN 0.270 nan 8.360 nan 0.000 0.466 24 L N -0.437 120.787 121.223 0.001 0.000 2.592 24 L HA 0.195 4.535 4.340 -0.000 0.000 0.227 24 L C 1.159 178.030 176.870 0.002 0.000 1.127 24 L CA 0.153 54.994 54.840 0.001 0.000 0.884 24 L CB 0.228 42.288 42.059 0.001 0.000 1.065 24 L HN 0.212 nan 8.230 nan 0.000 0.457 25 G N 1.205 110.007 108.800 0.003 0.000 2.176 25 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 25 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 25 G C 0.152 175.055 174.900 0.005 0.000 1.024 25 G CA -0.103 44.999 45.100 0.003 0.000 0.755 25 G HN 0.325 nan 8.290 nan 0.000 0.507 26 I N 0.477 121.051 120.570 0.006 0.000 2.342 26 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 26 I C 0.851 176.974 176.117 0.010 0.000 1.010 26 I CA -0.635 60.670 61.300 0.009 0.000 1.308 26 I CB 1.047 39.054 38.000 0.011 0.000 1.400 26 I HN -0.008 nan 8.210 nan 0.000 0.488 27 K N 4.100 124.507 120.400 0.011 0.000 2.295 27 K HA 0.275 4.595 4.320 -0.000 0.000 0.270 27 K C 0.120 176.728 176.600 0.013 0.000 1.011 27 K CA -0.207 56.086 56.287 0.011 0.000 0.953 27 K CB 0.684 33.191 32.500 0.012 0.000 0.956 27 K HN 0.687 nan 8.250 nan 0.000 0.477 28 T N -1.953 112.609 114.554 0.013 0.000 2.856 28 T HA 0.536 4.886 4.350 -0.000 0.000 0.283 28 T C -0.516 174.193 174.700 0.015 0.000 1.008 28 T CA -0.940 61.170 62.100 0.017 0.000 0.997 28 T CB 1.273 70.155 68.868 0.023 0.000 0.992 28 T HN 0.149 nan 8.240 nan 0.000 0.454 29 V N 1.986 121.911 119.914 0.018 0.000 2.444 29 V HA 0.747 4.867 4.120 -0.000 0.000 0.294 29 V C 0.342 176.457 176.094 0.035 0.000 1.022 29 V CA -0.997 61.311 62.300 0.013 0.000 0.850 29 V CB 1.170 32.991 31.823 -0.004 0.000 0.992 29 V HN 1.314 nan 8.190 nan 0.000 0.426 30 A N 4.749 127.592 122.820 0.039 0.000 2.306 30 A HA 0.888 5.208 4.320 -0.000 0.000 0.314 30 A C -0.269 177.359 177.584 0.073 0.000 1.164 30 A CA -0.492 51.598 52.037 0.088 0.000 0.822 30 A CB 1.349 20.334 19.000 -0.024 0.000 1.130 30 A HN 1.364 nan 8.150 nan 0.000 0.496 31 V N 0.864 120.843 119.914 0.107 0.000 2.680 31 V HA 0.904 5.024 4.120 -0.000 0.000 0.309 31 V C -0.685 175.477 176.094 0.112 0.000 1.052 31 V CA -0.603 61.701 62.300 0.007 0.000 0.908 31 V CB 1.038 32.827 31.823 -0.056 0.000 1.001 31 V HN 1.310 nan 8.190 nan 0.000 0.431 32 H N 0.885 119.917 119.070 -0.062 0.000 3.012 32 H HA 0.812 5.368 4.556 -0.000 0.000 0.367 32 H C -0.158 175.026 175.328 -0.239 0.000 1.211 32 H CA -0.105 55.909 56.048 -0.057 0.000 1.139 32 H CB 1.190 30.983 29.762 0.051 0.000 1.838 32 H HN 0.973 nan 8.280 nan 0.000 0.550 33 S N 0.139 115.740 115.700 -0.165 0.000 2.634 33 S HA 0.074 4.544 4.470 -0.000 0.000 0.261 33 S C 1.254 175.976 174.600 0.204 0.000 1.271 33 S CA 0.012 58.163 58.200 -0.081 0.000 0.985 33 S CB 0.708 63.920 63.200 0.020 0.000 0.968 33 S HN 1.037 nan 8.310 nan 0.000 0.568 34 T N -2.191 112.437 114.554 0.123 0.000 2.915 34 T HA 0.005 4.355 4.350 -0.000 0.000 0.269 34 T C 1.769 176.563 174.700 0.155 0.000 1.071 34 T CA 0.865 63.051 62.100 0.143 0.000 1.132 34 T CB -0.843 68.068 68.868 0.072 0.000 0.878 34 T HN 0.866 nan 8.240 nan 0.000 0.479 35 A N 1.357 124.291 122.820 0.190 0.000 2.119 35 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 35 A C 1.691 179.422 177.584 0.244 0.000 1.152 35 A CA 0.834 52.992 52.037 0.201 0.000 0.708 35 A CB -0.161 18.977 19.000 0.229 0.000 0.805 35 A HN 0.411 nan 8.150 nan 0.000 0.460 36 D N -0.787 119.777 120.400 0.274 0.000 2.525 36 D HA 0.148 4.788 4.640 -0.000 0.000 0.229 36 D C 1.330 177.661 176.300 0.051 0.000 1.202 36 D CA -0.076 54.068 54.000 0.241 0.000 0.828 36 D CB 0.044 41.025 40.800 0.301 0.000 1.008 36 D HN 0.353 nan 8.370 nan 0.000 0.493 37 R N 0.278 120.772 120.500 -0.010 0.000 2.152 37 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 37 R C 1.218 177.483 176.300 -0.058 0.000 1.117 37 R CA 0.910 56.904 56.100 -0.175 0.000 0.981 37 R CB 0.170 30.436 30.300 -0.056 0.000 0.870 37 R HN 0.295 nan 8.270 nan 0.000 0.451 38 E N 0.425 120.695 120.200 0.117 0.000 2.435 38 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 38 E C 0.095 176.922 176.600 0.378 0.000 1.029 38 E CA -0.192 56.375 56.400 0.279 0.000 0.865 38 E CB 0.173 30.102 29.700 0.382 0.000 0.833 38 E HN 0.212 nan 8.360 nan 0.000 0.510 39 L N 1.772 123.156 121.223 0.268 0.000 2.615 39 L HA -0.114 4.226 4.340 -0.000 0.000 0.284 39 L C 1.653 178.597 176.870 0.123 0.000 1.237 39 L CA 0.076 55.045 54.840 0.215 0.000 0.905 39 L CB 0.338 42.516 42.059 0.200 0.000 1.149 39 L HN 0.265 nan 8.230 nan 0.000 0.499 40 M N 3.637 123.319 119.600 0.137 0.000 2.108 40 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 40 M C 2.249 178.548 176.300 -0.002 0.000 1.066 40 M CA 1.967 57.274 55.300 0.011 0.000 1.107 40 M CB -0.263 32.363 32.600 0.043 0.000 1.356 40 M HN 0.802 nan 8.290 nan 0.000 0.406 41 H N 0.155 119.195 119.070 -0.051 0.000 2.495 41 H HA -0.057 4.499 4.556 -0.000 0.000 0.287 41 H C 1.829 177.133 175.328 -0.041 0.000 1.033 41 H CA 1.186 57.203 56.048 -0.051 0.000 1.307 41 H CB -1.018 28.708 29.762 -0.060 0.000 1.401 41 H HN 0.466 nan 8.280 nan 0.000 0.555 42 L N 1.413 122.297 121.223 -0.564 0.000 1.990 42 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 42 L C 2.720 179.464 176.870 -0.210 0.000 1.072 42 L CA 2.083 56.654 54.840 -0.449 0.000 0.755 42 L CB -0.647 41.202 42.059 -0.350 0.000 0.889 42 L HN 0.401 nan 8.230 nan 0.000 0.432 43 S N -1.017 114.590 115.700 -0.154 0.000 2.562 43 S HA 0.060 4.530 4.470 -0.000 0.000 0.221 43 S C 1.684 176.238 174.600 -0.077 0.000 0.975 43 S CA 0.176 58.315 58.200 -0.101 0.000 0.918 43 S CB -0.205 62.936 63.200 -0.098 0.000 0.772 43 S HN 0.362 nan 8.310 nan 0.000 0.531 44 L N 0.831 122.011 121.223 -0.072 0.000 2.375 44 L HA 0.363 4.703 4.340 -0.000 0.000 0.215 44 L C 1.530 178.386 176.870 -0.025 0.000 1.108 44 L CA 0.151 54.968 54.840 -0.037 0.000 0.830 44 L CB -0.506 41.544 42.059 -0.015 0.000 0.959 44 L HN 0.361 nan 8.230 nan 0.000 0.457 45 A N 0.054 122.850 122.820 -0.039 0.000 2.386 45 A HA 0.046 4.366 4.320 -0.000 0.000 0.248 45 A C 0.705 178.278 177.584 -0.019 0.000 1.082 45 A CA -0.297 51.728 52.037 -0.020 0.000 0.789 45 A CB 0.269 19.250 19.000 -0.032 0.000 1.025 45 A HN 0.152 nan 8.150 nan 0.000 0.490 46 D N 0.403 120.799 120.400 -0.007 0.000 2.123 46 D HA -0.026 4.614 4.640 -0.000 0.000 0.200 46 D C 0.230 176.526 176.300 -0.006 0.000 0.976 46 D CA 1.385 55.382 54.000 -0.005 0.000 0.831 46 D CB 0.299 41.099 40.800 0.001 0.000 0.974 46 D HN 0.741 nan 8.370 nan 0.000 0.469 47 E N -0.493 119.705 120.200 -0.004 0.000 2.343 47 E HA 0.467 4.817 4.350 -0.000 0.000 0.270 47 E C -1.135 175.464 176.600 -0.003 0.000 0.895 47 E CA -0.560 55.839 56.400 -0.003 0.000 0.767 47 E CB 2.770 32.469 29.700 -0.001 0.000 1.248 47 E HN -0.185 nan 8.360 nan 0.000 0.440 48 S N 1.346 117.049 115.700 0.006 0.000 2.614 48 S HA 0.521 4.991 4.470 -0.000 0.000 0.288 48 S C -1.478 173.134 174.600 0.020 0.000 1.137 48 S CA -0.571 57.648 58.200 0.032 0.000 0.992 48 S CB 1.118 64.351 63.200 0.055 0.000 1.026 48 S HN 0.231 nan 8.310 nan 0.000 0.486 49 V N 3.838 123.728 119.914 -0.040 0.000 2.588 49 V HA 0.483 4.603 4.120 -0.000 0.000 0.304 49 V C 0.184 176.055 176.094 -0.372 0.000 1.042 49 V CA -1.024 61.197 62.300 -0.132 0.000 0.877 49 V CB 1.350 33.111 31.823 -0.105 0.000 0.996 49 V HN 1.023 nan 8.190 nan 0.000 0.425 50 C N 6.587 125.635 119.300 -0.421 0.000 2.482 50 C HA 0.474 4.934 4.460 -0.000 0.000 0.378 50 C C 1.574 176.348 174.990 -0.360 0.000 1.284 50 C CA -0.272 58.375 59.018 -0.618 0.000 1.826 50 C CB -1.216 26.328 27.740 -0.326 0.000 2.473 50 C HN 0.898 nan 8.230 nan 0.000 0.562 51 I N 4.161 124.500 120.570 -0.385 0.000 4.018 51 I HA 0.551 4.721 4.170 -0.000 0.000 0.337 51 I C 0.805 176.781 176.117 -0.236 0.000 1.327 51 I CA 0.396 61.528 61.300 -0.281 0.000 1.100 51 I CB -0.357 37.458 38.000 -0.307 0.000 1.025 51 I HN 0.787 nan 8.210 nan 0.000 0.396 52 G N 1.108 109.776 108.800 -0.220 0.000 2.341 52 G HA2 0.267 4.227 3.960 -0.000 0.000 0.293 52 G HA3 0.267 4.227 3.960 -0.000 0.000 0.293 52 G C -3.366 171.471 174.900 -0.105 0.000 1.298 52 G CA -0.804 44.208 45.100 -0.147 0.000 0.868 52 G HN -0.105 nan 8.290 nan 0.000 0.540 53 P HA 0.471 nan 4.420 nan 0.000 0.279 53 P C 1.207 178.517 177.300 0.017 0.000 1.282 53 P CA 0.678 63.770 63.100 -0.014 0.000 0.788 53 P CB 0.695 32.389 31.700 -0.009 0.000 1.139 54 A N 0.322 123.171 122.820 0.049 0.000 1.884 54 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 54 A C -1.091 176.561 177.584 0.113 0.000 1.197 54 A CA 1.611 53.705 52.037 0.095 0.000 0.637 54 A CB -2.756 16.260 19.000 0.026 0.000 0.827 54 A HN 0.541 nan 8.150 nan 0.000 0.450 55 P HA 0.163 nan 4.420 nan 0.000 0.264 55 P C 0.750 178.152 177.300 0.170 0.000 1.183 55 P CA 0.818 63.963 63.100 0.074 0.000 0.763 55 P CB 0.719 32.443 31.700 0.040 0.000 0.807 56 A N 3.657 126.647 122.820 0.284 0.000 1.883 56 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 56 A C 1.958 179.641 177.584 0.166 0.000 1.186 56 A CA 2.560 54.811 52.037 0.356 0.000 0.624 56 A CB -2.012 17.287 19.000 0.499 0.000 0.822 56 A HN 0.611 nan 8.150 nan 0.000 0.444 57 T N -2.171 112.459 114.554 0.127 0.000 2.929 57 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 57 T C 1.406 176.118 174.700 0.021 0.000 1.085 57 T CA 1.595 63.737 62.100 0.069 0.000 1.125 57 T CB -0.286 68.618 68.868 0.060 0.000 0.874 57 T HN 0.633 nan 8.240 nan 0.000 0.494 58 Q N 0.588 120.396 119.800 0.012 0.000 2.220 58 Q HA 0.297 4.637 4.340 -0.000 0.000 0.205 58 Q C 1.359 177.313 176.000 -0.077 0.000 0.865 58 Q CA 0.169 55.957 55.803 -0.025 0.000 0.960 58 Q CB 0.555 29.285 28.738 -0.013 0.000 1.097 58 Q HN 0.774 nan 8.270 nan 0.000 0.493 59 S N -2.121 113.509 115.700 -0.116 0.000 5.026 59 S HA 0.019 4.489 4.470 -0.000 0.000 0.144 59 S C 1.091 175.485 174.600 -0.344 0.000 1.017 59 S CA -0.319 57.712 58.200 -0.282 0.000 1.275 59 S CB -0.589 62.361 63.200 -0.416 0.000 2.035 59 S HN 0.190 nan 8.310 nan 0.000 0.769 60 Y N 2.433 122.565 120.300 -0.279 0.000 2.421 60 Y HA 0.350 4.900 4.550 -0.000 0.000 0.292 60 Y C 1.922 177.580 175.900 -0.403 0.000 1.136 60 Y CA 0.705 58.503 58.100 -0.504 0.000 1.255 60 Y CB -0.441 37.352 38.460 -1.113 0.000 0.991 60 Y HN 0.245 nan 8.280 nan 0.000 0.552 61 L N -0.351 120.814 121.223 -0.098 0.000 2.607 61 L HA 0.083 4.423 4.340 -0.000 0.000 0.228 61 L C 0.453 177.259 176.870 -0.106 0.000 1.123 61 L CA 0.019 54.820 54.840 -0.066 0.000 0.890 61 L CB 0.045 42.131 42.059 0.045 0.000 1.103 61 L HN -0.053 nan 8.230 nan 0.000 0.468 62 Q N 0.878 120.601 119.800 -0.128 0.000 2.490 62 Q HA 0.211 4.551 4.340 -0.000 0.000 0.226 62 Q C 0.983 176.923 176.000 -0.100 0.000 1.132 62 Q CA 0.113 55.857 55.803 -0.098 0.000 0.928 62 Q CB 0.548 29.229 28.738 -0.094 0.000 1.299 62 Q HN 0.269 nan 8.270 nan 0.000 0.528 63 I N 4.769 125.297 120.570 -0.070 0.000 2.151 63 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 63 I C -0.830 175.330 176.117 0.071 0.000 1.080 63 I CA 0.985 62.297 61.300 0.020 0.000 1.339 63 I CB -0.922 37.149 38.000 0.118 0.000 1.039 63 I HN 0.530 nan 8.210 nan 0.000 0.409 64 P HA -0.162 nan 4.420 nan 0.000 0.216 64 P C 1.462 178.771 177.300 0.015 0.000 1.150 64 P CA 1.784 64.906 63.100 0.037 0.000 0.837 64 P CB -0.036 31.675 31.700 0.018 0.000 0.786 65 A N -0.758 122.049 122.820 -0.022 0.000 1.898 65 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 65 A C 2.203 179.756 177.584 -0.052 0.000 1.181 65 A CA 1.398 53.404 52.037 -0.052 0.000 0.620 65 A CB -1.561 17.382 19.000 -0.095 0.000 0.819 65 A HN 0.115 nan 8.150 nan 0.000 0.442 66 I N -0.383 120.165 120.570 -0.036 0.000 2.202 66 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 66 I C 2.292 178.404 176.117 -0.008 0.000 1.091 66 I CA 1.117 62.407 61.300 -0.017 0.000 1.368 66 I CB -0.279 37.744 38.000 0.038 0.000 1.058 66 I HN 0.289 nan 8.210 nan 0.000 0.410 67 I N 0.854 121.452 120.570 0.046 0.000 2.208 67 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 67 I C 2.802 178.936 176.117 0.028 0.000 1.097 67 I CA 1.410 62.729 61.300 0.032 0.000 1.363 67 I CB -0.475 37.608 38.000 0.139 0.000 1.051 67 I HN 0.206 nan 8.210 nan 0.000 0.413 68 A N 0.708 123.546 122.820 0.030 0.000 1.940 68 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 68 A C 2.521 180.103 177.584 -0.003 0.000 1.176 68 A CA 1.889 53.941 52.037 0.024 0.000 0.631 68 A CB -0.709 18.295 19.000 0.006 0.000 0.814 68 A HN 0.458 nan 8.150 nan 0.000 0.446 69 A N -0.266 122.530 122.820 -0.040 0.000 1.930 69 A HA 0.221 4.541 4.320 -0.000 0.000 0.217 69 A C 2.487 180.030 177.584 -0.069 0.000 1.175 69 A CA 1.887 53.889 52.037 -0.058 0.000 0.627 69 A CB -0.923 18.029 19.000 -0.080 0.000 0.815 69 A HN 0.994 nan 8.150 nan 0.000 0.443 70 A N -0.207 122.528 122.820 -0.143 0.000 1.877 70 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 70 A C 1.921 179.488 177.584 -0.028 0.000 1.186 70 A CA 1.720 53.599 52.037 -0.263 0.000 0.620 70 A CB -0.572 17.923 19.000 -0.841 0.000 0.822 70 A HN 0.598 nan 8.150 nan 0.000 0.443 71 E N -0.421 119.858 120.200 0.132 0.000 2.058 71 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 71 E C 2.073 178.747 176.600 0.123 0.000 0.997 71 E CA 1.981 58.533 56.400 0.254 0.000 0.801 71 E CB -0.323 29.508 29.700 0.218 0.000 0.746 71 E HN 0.632 nan 8.360 nan 0.000 0.450 72 V N -0.895 119.057 119.914 0.062 0.000 2.809 72 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 72 V C 2.120 178.231 176.094 0.029 0.000 1.080 72 V CA 1.788 64.109 62.300 0.036 0.000 1.102 72 V CB -0.757 31.074 31.823 0.014 0.000 0.705 72 V HN 0.313 nan 8.190 nan 0.000 0.475 73 T N -2.950 111.619 114.554 0.025 0.000 3.057 73 T HA 0.375 4.725 4.350 -0.000 0.000 0.254 73 T C 1.658 176.382 174.700 0.040 0.000 1.094 73 T CA 0.727 62.838 62.100 0.020 0.000 1.088 73 T CB 0.083 68.951 68.868 0.001 0.000 0.934 73 T HN 1.663 nan 8.240 nan 0.000 0.497 74 G N 1.630 110.475 108.800 0.074 0.000 2.182 74 G HA2 0.030 3.990 3.960 -0.000 0.000 0.248 74 G HA3 0.030 3.990 3.960 -0.000 0.000 0.248 74 G C 0.200 175.168 174.900 0.113 0.000 1.042 74 G CA -0.161 45.000 45.100 0.103 0.000 0.775 74 G HN 1.121 nan 8.290 nan 0.000 0.501 75 A N -0.342 122.542 122.820 0.106 0.000 2.445 75 A HA 0.701 5.021 4.320 -0.000 0.000 0.242 75 A C 1.579 179.294 177.584 0.218 0.000 1.075 75 A CA 1.302 53.385 52.037 0.077 0.000 0.777 75 A CB 0.366 19.334 19.000 -0.054 0.000 1.013 75 A HN 1.548 nan 8.150 nan 0.000 0.493 76 T N -1.408 113.247 114.554 0.170 0.000 3.014 76 T HA 0.552 4.902 4.350 -0.000 0.000 0.250 76 T C 0.452 175.283 174.700 0.218 0.000 1.060 76 T CA 0.656 62.888 62.100 0.220 0.000 1.040 76 T CB -0.014 68.919 68.868 0.108 0.000 0.971 76 T HN 1.633 nan 8.240 nan 0.000 0.497 77 A N 0.570 123.460 122.820 0.117 0.000 2.587 77 A HA 0.793 5.113 4.320 -0.000 0.000 0.293 77 A C -1.632 175.953 177.584 0.001 0.000 1.087 77 A CA -0.989 51.088 52.037 0.067 0.000 0.692 77 A CB 1.275 20.292 19.000 0.029 0.000 1.291 77 A HN 0.378 nan 8.150 nan 0.000 0.407 78 I N 1.856 122.427 120.570 0.001 0.000 2.447 78 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 78 I C -0.944 175.178 176.117 0.009 0.000 1.023 78 I CA -0.477 60.836 61.300 0.022 0.000 1.083 78 I CB 1.854 39.882 38.000 0.047 0.000 1.245 78 I HN 0.718 nan 8.210 nan 0.000 0.434 79 H N 8.715 127.756 119.070 -0.048 0.000 2.556 79 H HA 0.350 4.906 4.556 -0.000 0.000 0.310 79 H C -2.056 173.265 175.328 -0.013 0.000 1.057 79 H CA -2.264 53.722 56.048 -0.102 0.000 1.264 79 H CB 1.986 31.685 29.762 -0.105 0.000 1.404 79 H HN 0.321 nan 8.280 nan 0.000 0.462 80 P HA 0.102 nan 4.420 nan 0.000 0.251 80 P C 0.776 178.201 177.300 0.207 0.000 1.223 80 P CA 1.008 64.301 63.100 0.321 0.000 0.796 80 P CB 0.916 32.889 31.700 0.454 0.000 1.068 81 G N 0.947 109.891 108.800 0.240 0.000 2.547 81 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.271 81 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.271 81 G C -0.685 174.245 174.900 0.051 0.000 1.209 81 G CA 0.268 45.340 45.100 -0.046 0.000 0.959 81 G HN 0.426 nan 8.290 nan 0.000 0.563 82 Y N -0.804 119.524 120.300 0.046 0.000 2.549 82 Y HA 0.705 5.255 4.550 -0.000 0.000 0.339 82 Y C 0.987 176.865 175.900 -0.036 0.000 1.053 82 Y CA -0.469 57.645 58.100 0.023 0.000 1.105 82 Y CB 0.891 39.352 38.460 0.001 0.000 1.258 82 Y HN 2.606 nan 8.280 nan 0.000 0.478 83 G N 1.449 110.360 108.800 0.186 0.000 2.645 83 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 83 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 83 G C 0.027 174.932 174.900 0.007 0.000 1.322 83 G CA 0.247 45.329 45.100 -0.029 0.000 0.898 83 G HN 1.291 nan 8.290 nan 0.000 0.573 84 F N -2.089 117.881 119.950 0.033 0.000 2.958 84 F HA -0.322 4.205 4.527 -0.000 0.000 0.240 84 F C 2.269 178.069 175.800 0.000 0.000 1.487 84 F CA 1.926 59.924 58.000 -0.003 0.000 1.873 84 F CB -1.109 37.858 39.000 -0.055 0.000 0.531 84 F HN 0.454 nan 8.300 nan 0.000 0.277 85 L N 0.255 121.592 121.223 0.191 0.000 2.629 85 L HA 0.247 4.587 4.340 -0.000 0.000 0.230 85 L C 1.876 178.912 176.870 0.278 0.000 1.151 85 L CA 0.401 55.276 54.840 0.059 0.000 0.924 85 L CB -0.463 41.315 42.059 -0.468 0.000 1.137 85 L HN 0.559 nan 8.230 nan 0.000 0.457 86 A N 0.421 123.414 122.820 0.288 0.000 1.933 86 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 86 A C 1.725 179.515 177.584 0.344 0.000 1.175 86 A CA 1.354 53.603 52.037 0.353 0.000 0.628 86 A CB -0.118 19.034 19.000 0.252 0.000 0.814 86 A HN 0.487 nan 8.150 nan 0.000 0.444 87 E N -0.175 120.165 120.200 0.235 0.000 2.585 87 E HA 0.075 4.425 4.350 -0.000 0.000 0.206 87 E C -0.521 176.166 176.600 0.146 0.000 1.007 87 E CA -0.366 56.144 56.400 0.183 0.000 1.028 87 E CB 0.113 29.892 29.700 0.131 0.000 1.087 87 E HN 0.404 nan 8.360 nan 0.000 0.455 88 N N 1.161 119.965 118.700 0.173 0.000 2.462 88 N HA 0.145 4.884 4.740 -0.000 0.000 0.242 88 N C 0.611 176.175 175.510 0.091 0.000 1.010 88 N CA 0.024 53.153 53.050 0.133 0.000 0.939 88 N CB 1.330 39.907 38.487 0.151 0.000 1.127 88 N HN 0.097 nan 8.380 nan 0.000 0.509 89 A N 3.996 126.841 122.820 0.042 0.000 1.908 89 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 89 A C 1.538 179.096 177.584 -0.042 0.000 1.181 89 A CA 1.745 53.770 52.037 -0.019 0.000 0.627 89 A CB -0.343 18.656 19.000 -0.002 0.000 0.818 89 A HN 0.702 nan 8.150 nan 0.000 0.445 90 D N -1.291 119.117 120.400 0.013 0.000 2.149 90 D HA -0.156 4.483 4.640 -0.000 0.000 0.198 90 D C 1.568 177.894 176.300 0.044 0.000 0.990 90 D CA 1.407 55.420 54.000 0.021 0.000 0.839 90 D CB -0.331 40.497 40.800 0.046 0.000 0.948 90 D HN 0.585 nan 8.370 nan 0.000 0.460 91 F N 1.045 120.935 119.950 -0.101 0.000 2.102 91 F HA -0.210 4.317 4.527 0.000 0.000 0.298 91 F C 2.257 177.901 175.800 -0.260 0.000 1.105 91 F CA 1.329 59.255 58.000 -0.122 0.000 1.239 91 F CB 0.016 38.973 39.000 -0.071 0.000 0.991 91 F HN -0.029 nan 8.300 nan 0.000 0.474 92 A N 0.035 122.492 122.820 -0.605 0.000 1.883 92 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 92 A C 2.068 179.337 177.584 -0.526 0.000 1.186 92 A CA 1.962 53.387 52.037 -1.021 0.000 0.624 92 A CB -1.098 17.274 19.000 -1.047 0.000 0.822 92 A HN 0.602 nan 8.150 nan 0.000 0.444 93 E N -0.755 119.267 120.200 -0.296 0.000 2.058 93 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 93 E C 2.196 178.716 176.600 -0.132 0.000 0.997 93 E CA 1.640 57.940 56.400 -0.167 0.000 0.801 93 E CB -0.152 29.490 29.700 -0.096 0.000 0.746 93 E HN 0.739 nan 8.360 nan 0.000 0.450 94 Q N -0.046 119.683 119.800 -0.117 0.000 2.167 94 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 94 Q C 2.249 178.220 176.000 -0.047 0.000 0.970 94 Q CA 1.581 57.355 55.803 -0.048 0.000 0.855 94 Q CB -0.151 28.603 28.738 0.026 0.000 0.911 94 Q HN 0.524 nan 8.270 nan 0.000 0.438 95 I N -1.167 119.310 120.570 -0.156 0.000 2.353 95 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 95 I C 1.560 177.696 176.117 0.032 0.000 1.119 95 I CA 1.308 62.591 61.300 -0.029 0.000 1.417 95 I CB -0.237 37.638 38.000 -0.208 0.000 1.078 95 I HN -0.026 nan 8.210 nan 0.000 0.421 96 E N 1.328 121.487 120.200 -0.069 0.000 2.072 96 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 96 E C 2.344 178.907 176.600 -0.063 0.000 0.985 96 E CA 1.198 57.566 56.400 -0.054 0.000 0.801 96 E CB -0.471 29.186 29.700 -0.073 0.000 0.750 96 E HN 0.578 nan 8.360 nan 0.000 0.452 97 R N 0.567 121.032 120.500 -0.058 0.000 2.127 97 R HA -0.046 4.294 4.340 -0.000 0.000 0.238 97 R C 1.759 178.017 176.300 -0.071 0.000 1.134 97 R CA 1.421 57.488 56.100 -0.054 0.000 0.975 97 R CB 0.059 30.337 30.300 -0.037 0.000 0.865 97 R HN -0.039 nan 8.270 nan 0.000 0.447 98 S N -1.140 114.522 115.700 -0.063 0.000 2.605 98 S HA 0.186 4.656 4.470 -0.000 0.000 0.217 98 S C 0.813 175.138 174.600 -0.459 0.000 0.958 98 S CA 0.468 58.587 58.200 -0.136 0.000 0.919 98 S CB 1.216 64.458 63.200 0.070 0.000 0.780 98 S HN 0.671 nan 8.310 nan 0.000 0.507 99 G N 0.990 109.581 108.800 -0.348 0.000 2.157 99 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 99 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 99 G C -0.089 174.548 174.900 -0.438 0.000 0.979 99 G CA -0.343 44.520 45.100 -0.396 0.000 0.650 99 G HN 0.423 nan 8.290 nan 0.000 0.529 100 F N 0.929 120.861 119.950 -0.030 0.000 2.408 100 F HA 0.679 5.207 4.527 0.000 0.000 0.325 100 F C 1.083 176.872 175.800 -0.018 0.000 1.082 100 F CA -0.455 57.532 58.000 -0.021 0.000 1.032 100 F CB 1.060 40.049 39.000 -0.018 0.000 1.259 100 F HN -0.076 nan 8.300 nan 0.000 0.503 101 T N 1.965 116.640 114.554 0.202 0.000 2.845 101 T HA 0.268 4.618 4.350 -0.000 0.000 0.288 101 T C -0.935 173.845 174.700 0.132 0.000 0.980 101 T CA -0.263 61.905 62.100 0.112 0.000 1.071 101 T CB 0.298 69.198 68.868 0.053 0.000 0.941 101 T HN 0.383 nan 8.240 nan 0.000 0.487 102 F N 3.262 123.164 119.950 -0.079 0.000 2.410 102 F HA 0.435 4.962 4.527 -0.000 0.000 0.349 102 F C 0.143 175.854 175.800 -0.147 0.000 1.117 102 F CA -0.938 56.982 58.000 -0.134 0.000 1.104 102 F CB 0.782 39.683 39.000 -0.165 0.000 1.122 102 F HN 0.227 nan 8.300 nan 0.000 0.483 103 V N 7.003 126.495 119.914 -0.704 0.000 2.149 103 V HA 0.528 4.648 4.120 -0.000 0.000 0.245 103 V C 0.494 175.996 176.094 -0.987 0.000 1.349 103 V CA 0.629 62.503 62.300 -0.711 0.000 1.289 103 V CB -1.103 30.295 31.823 -0.708 0.000 1.401 103 V HN 1.001 nan 8.190 nan 0.000 0.501 104 G N 4.884 113.238 108.800 -0.744 0.000 2.324 104 G HA2 0.347 4.307 3.960 -0.000 0.000 0.293 104 G HA3 0.347 4.307 3.960 -0.000 0.000 0.293 104 G C -3.450 171.338 174.900 -0.187 0.000 1.297 104 G CA -0.719 44.057 45.100 -0.541 0.000 0.853 104 G HN 0.251 nan 8.290 nan 0.000 0.535 105 P HA 0.307 nan 4.420 nan 0.000 0.275 105 P C 0.708 178.026 177.300 0.031 0.000 1.266 105 P CA 0.117 63.088 63.100 -0.215 0.000 0.793 105 P CB 0.181 31.627 31.700 -0.423 0.000 1.074 106 T N -3.305 111.225 114.554 -0.040 0.000 2.856 106 T HA 0.271 4.621 4.350 -0.000 0.000 0.306 106 T C 1.576 176.260 174.700 -0.027 0.000 1.062 106 T CA 0.052 62.139 62.100 -0.021 0.000 1.083 106 T CB 0.092 68.943 68.868 -0.028 0.000 0.984 106 T HN 0.447 nan 8.240 nan 0.000 0.542 107 A N 1.243 124.021 122.820 -0.071 0.000 1.892 107 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 107 A C 2.279 179.849 177.584 -0.023 0.000 1.188 107 A CA 2.033 54.025 52.037 -0.075 0.000 0.631 107 A CB -1.149 17.793 19.000 -0.097 0.000 0.822 107 A HN 1.004 nan 8.150 nan 0.000 0.447 108 E N -0.639 119.553 120.200 -0.014 0.000 2.070 108 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 108 E C 1.969 178.586 176.600 0.029 0.000 1.004 108 E CA 1.613 58.017 56.400 0.006 0.000 0.805 108 E CB -0.311 29.393 29.700 0.006 0.000 0.744 108 E HN 0.401 nan 8.360 nan 0.000 0.451 109 V N 1.036 120.973 119.914 0.039 0.000 2.407 109 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 109 V C 2.148 178.302 176.094 0.100 0.000 1.055 109 V CA 1.472 63.822 62.300 0.083 0.000 1.049 109 V CB -0.383 31.502 31.823 0.103 0.000 0.662 109 V HN 0.268 nan 8.190 nan 0.000 0.455 110 I N -0.482 120.136 120.570 0.080 0.000 2.179 110 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 110 I C 2.751 178.908 176.117 0.067 0.000 1.088 110 I CA 1.565 62.918 61.300 0.088 0.000 1.357 110 I CB -0.444 37.602 38.000 0.076 0.000 1.051 110 I HN 0.190 nan 8.210 nan 0.000 0.409 111 R N 0.263 120.791 120.500 0.045 0.000 2.081 111 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 111 R C 2.342 178.668 176.300 0.045 0.000 1.131 111 R CA 1.250 57.374 56.100 0.039 0.000 0.960 111 R CB -0.626 29.689 30.300 0.024 0.000 0.856 111 R HN 0.245 nan 8.270 nan 0.000 0.436 112 L N 0.608 121.860 121.223 0.048 0.000 2.012 112 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 112 L C 1.977 178.884 176.870 0.062 0.000 1.073 112 L CA 1.824 56.694 54.840 0.050 0.000 0.748 112 L CB -0.135 41.956 42.059 0.054 0.000 0.891 112 L HN 0.132 nan 8.230 nan 0.000 0.431 113 M N -1.189 118.457 119.600 0.076 0.000 2.556 113 M HA 0.177 4.657 4.480 -0.000 0.000 0.245 113 M C 1.915 178.265 176.300 0.083 0.000 1.128 113 M CA 0.838 56.192 55.300 0.089 0.000 1.069 113 M CB -1.238 31.413 32.600 0.085 0.000 1.469 113 M HN 0.382 nan 8.290 nan 0.000 0.494 114 G N -0.017 108.823 108.800 0.068 0.000 2.777 114 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.211 114 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.211 114 G C -0.027 174.902 174.900 0.048 0.000 1.149 114 G CA 0.023 45.157 45.100 0.056 0.000 0.785 114 G HN 0.447 nan 8.290 nan 0.000 0.536 115 D N -1.139 119.292 120.400 0.052 0.000 2.256 115 D HA 0.373 5.013 4.640 -0.000 0.000 0.246 115 D C 1.339 177.673 176.300 0.057 0.000 1.042 115 D CA -0.666 53.360 54.000 0.044 0.000 0.841 115 D CB 1.487 42.307 40.800 0.035 0.000 1.223 115 D HN -0.102 nan 8.370 nan 0.000 0.470 116 K N 1.637 122.067 120.400 0.050 0.000 2.032 116 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 116 K C 1.735 178.377 176.600 0.069 0.000 1.048 116 K CA 1.180 57.507 56.287 0.065 0.000 0.927 116 K CB -0.088 32.436 32.500 0.041 0.000 0.712 116 K HN 0.291 nan 8.250 nan 0.000 0.441 117 V N 1.572 121.509 119.914 0.037 0.000 2.270 117 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 117 V C 2.488 178.599 176.094 0.029 0.000 1.043 117 V CA 2.248 64.562 62.300 0.023 0.000 1.014 117 V CB -0.487 31.337 31.823 0.001 0.000 0.645 117 V HN 0.450 nan 8.190 nan 0.000 0.447 118 S N 0.981 116.700 115.700 0.031 0.000 2.383 118 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 118 S C 2.114 176.734 174.600 0.033 0.000 1.026 118 S CA 1.235 59.451 58.200 0.027 0.000 0.981 118 S CB -0.563 62.653 63.200 0.027 0.000 0.818 118 S HN 0.555 nan 8.310 nan 0.000 0.472 119 A N 2.416 125.273 122.820 0.063 0.000 1.877 119 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 119 A C 2.248 179.844 177.584 0.019 0.000 1.186 119 A CA 1.837 53.923 52.037 0.082 0.000 0.620 119 A CB -0.795 18.325 19.000 0.199 0.000 0.822 119 A HN 0.582 nan 8.150 nan 0.000 0.443 120 K N -0.634 119.816 120.400 0.083 0.000 2.063 120 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 120 K C 1.474 178.060 176.600 -0.022 0.000 1.048 120 K CA 1.730 58.048 56.287 0.052 0.000 0.928 120 K CB -0.202 32.362 32.500 0.106 0.000 0.713 120 K HN 0.394 nan 8.250 nan 0.000 0.442 121 D N 0.244 120.639 120.400 -0.008 0.000 2.104 121 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 121 D C 1.789 178.067 176.300 -0.037 0.000 0.994 121 D CA 1.482 55.473 54.000 -0.016 0.000 0.830 121 D CB -0.310 40.487 40.800 -0.005 0.000 0.959 121 D HN 0.349 nan 8.370 nan 0.000 0.452 122 A N 0.883 123.676 122.820 -0.044 0.000 1.908 122 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 122 A C 2.144 179.674 177.584 -0.090 0.000 1.181 122 A CA 1.554 53.563 52.037 -0.047 0.000 0.627 122 A CB -0.399 18.585 19.000 -0.026 0.000 0.818 122 A HN 0.104 nan 8.150 nan 0.000 0.445 123 M N -0.276 119.214 119.600 -0.183 0.000 2.132 123 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 123 M C 1.936 178.155 176.300 -0.134 0.000 1.065 123 M CA 1.516 56.665 55.300 -0.252 0.000 1.122 123 M CB -1.264 30.982 32.600 -0.590 0.000 1.365 123 M HN 0.405 nan 8.290 nan 0.000 0.411 124 K N -0.191 120.156 120.400 -0.088 0.000 2.032 124 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 124 K C 2.180 178.758 176.600 -0.036 0.000 1.048 124 K CA 1.384 57.648 56.287 -0.039 0.000 0.927 124 K CB -0.211 32.279 32.500 -0.016 0.000 0.712 124 K HN 0.297 nan 8.250 nan 0.000 0.441 125 R N 0.037 120.515 120.500 -0.036 0.000 2.105 125 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 125 R C 2.133 178.414 176.300 -0.031 0.000 1.135 125 R CA 1.318 57.402 56.100 -0.026 0.000 0.967 125 R CB -0.205 30.084 30.300 -0.019 0.000 0.861 125 R HN 0.195 nan 8.270 nan 0.000 0.442 126 A N -0.478 122.315 122.820 -0.046 0.000 2.169 126 A HA 0.174 4.494 4.320 -0.000 0.000 0.212 126 A C 1.471 179.019 177.584 -0.060 0.000 1.153 126 A CA 0.889 52.895 52.037 -0.052 0.000 0.756 126 A CB -0.005 18.955 19.000 -0.067 0.000 0.813 126 A HN 0.465 nan 8.150 nan 0.000 0.471 127 G N -1.524 107.242 108.800 -0.055 0.000 2.159 127 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.256 127 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.256 127 G C 0.213 175.076 174.900 -0.062 0.000 0.977 127 G CA 0.140 45.208 45.100 -0.052 0.000 0.652 127 G HN 0.765 nan 8.290 nan 0.000 0.531 128 V N 3.439 123.307 119.914 -0.075 0.000 2.485 128 V HA 0.321 4.441 4.120 -0.000 0.000 0.287 128 V C -0.891 175.223 176.094 0.035 0.000 1.022 128 V CA -0.699 61.574 62.300 -0.045 0.000 1.067 128 V CB 0.985 32.753 31.823 -0.092 0.000 0.967 128 V HN 0.307 nan 8.190 nan 0.000 0.479 129 P HA 0.182 nan 4.420 nan 0.000 0.271 129 P C -0.291 177.158 177.300 0.249 0.000 1.216 129 P CA 0.146 63.301 63.100 0.091 0.000 0.771 129 P CB 1.044 32.736 31.700 -0.013 0.000 0.864 130 T N 1.372 116.065 114.554 0.232 0.000 2.907 130 T HA 0.311 4.661 4.350 -0.000 0.000 0.290 130 T C -0.538 174.377 174.700 0.357 0.000 1.066 130 T CA -0.662 61.625 62.100 0.312 0.000 1.012 130 T CB 1.053 70.036 68.868 0.193 0.000 1.184 130 T HN 0.034 nan 8.240 nan 0.000 0.522 131 V N 5.492 125.601 119.914 0.325 0.000 2.446 131 V HA 0.256 4.376 4.120 -0.000 0.000 0.276 131 V C -1.711 174.484 176.094 0.169 0.000 1.030 131 V CA -1.072 61.374 62.300 0.244 0.000 1.033 131 V CB 0.376 32.276 31.823 0.127 0.000 0.993 131 V HN 0.680 nan 8.190 nan 0.000 0.477 132 P HA 0.593 nan 4.420 nan 0.000 0.276 132 P C 0.055 177.393 177.300 0.064 0.000 1.244 132 P CA 0.127 63.291 63.100 0.105 0.000 0.801 132 P CB 1.709 33.475 31.700 0.110 0.000 1.006 133 G N -0.004 108.830 108.800 0.058 0.000 2.427 133 G HA2 0.408 4.368 3.960 -0.000 0.000 0.306 133 G HA3 0.408 4.368 3.960 -0.000 0.000 0.306 133 G C -1.075 173.855 174.900 0.049 0.000 1.280 133 G CA -0.508 44.625 45.100 0.055 0.000 0.837 133 G HN 0.604 nan 8.290 nan 0.000 0.482 134 S N -0.474 115.264 115.700 0.065 0.000 2.549 134 S HA 0.347 4.817 4.470 -0.000 0.000 0.286 134 S C -0.141 174.485 174.600 0.043 0.000 1.314 134 S CA 0.156 58.388 58.200 0.054 0.000 1.062 134 S CB 1.497 64.742 63.200 0.075 0.000 0.865 134 S HN 0.722 nan 8.310 nan 0.000 0.498 135 D N 2.210 122.625 120.400 0.025 0.000 2.435 135 D HA 0.474 5.114 4.640 -0.000 0.000 0.230 135 D C 0.969 177.271 176.300 0.004 0.000 1.215 135 D CA 1.332 55.338 54.000 0.010 0.000 0.947 135 D CB -0.703 40.103 40.800 0.010 0.000 1.048 135 D HN 1.039 nan 8.370 nan 0.000 0.512 136 G N 3.691 112.484 108.800 -0.012 0.000 2.587 136 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.212 136 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.212 136 G C -2.539 172.379 174.900 0.031 0.000 1.327 136 G CA -0.602 44.488 45.100 -0.015 0.000 0.898 136 G HN 0.497 nan 8.290 nan 0.000 0.551 137 P HA 0.391 nan 4.420 nan 0.000 0.269 137 P C -0.051 177.295 177.300 0.077 0.000 1.215 137 P CA -0.337 62.818 63.100 0.092 0.000 0.780 137 P CB 0.875 32.615 31.700 0.067 0.000 0.898 138 L N 5.225 126.500 121.223 0.086 0.000 2.433 138 L HA 0.283 4.623 4.340 -0.000 0.000 0.275 138 L C -2.166 174.725 176.870 0.035 0.000 1.128 138 L CA -1.667 53.203 54.840 0.049 0.000 0.875 138 L CB -0.533 41.545 42.059 0.033 0.000 1.171 138 L HN 0.258 nan 8.230 nan 0.000 0.463 139 P HA 0.144 nan 4.420 nan 0.000 0.274 139 P C 0.010 177.321 177.300 0.019 0.000 1.237 139 P CA -0.260 62.853 63.100 0.023 0.000 0.793 139 P CB 0.586 32.298 31.700 0.020 0.000 0.977 140 E N -0.290 119.920 120.200 0.017 0.000 2.208 140 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 140 E C 0.155 176.764 176.600 0.015 0.000 0.988 140 E CA 0.468 56.877 56.400 0.015 0.000 0.828 140 E CB -0.187 29.521 29.700 0.013 0.000 0.763 140 E HN 0.594 nan 8.360 nan 0.000 0.478 141 D N 1.180 121.589 120.400 0.015 0.000 2.520 141 D HA -0.088 4.552 4.640 -0.000 0.000 0.243 141 D C 0.754 177.065 176.300 0.018 0.000 1.160 141 D CA 0.422 54.431 54.000 0.015 0.000 0.877 141 D CB 0.712 41.520 40.800 0.015 0.000 1.150 141 D HN 0.029 nan 8.370 nan 0.000 0.494 142 E N 2.683 122.894 120.200 0.018 0.000 2.028 142 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 142 E C 1.499 178.114 176.600 0.026 0.000 0.988 142 E CA 0.749 57.162 56.400 0.022 0.000 0.799 142 E CB 0.065 29.777 29.700 0.020 0.000 0.755 142 E HN 0.578 nan 8.360 nan 0.000 0.447 143 E N 0.464 120.678 120.200 0.023 0.000 2.077 143 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 143 E C 2.248 178.864 176.600 0.026 0.000 0.989 143 E CA 1.176 57.592 56.400 0.025 0.000 0.800 143 E CB -0.494 29.218 29.700 0.021 0.000 0.746 143 E HN 0.219 nan 8.360 nan 0.000 0.452 144 T N 1.425 115.992 114.554 0.022 0.000 2.708 144 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 144 T C 1.974 176.687 174.700 0.021 0.000 1.037 144 T CA 1.599 63.712 62.100 0.020 0.000 1.146 144 T CB -0.255 68.624 68.868 0.017 0.000 0.865 144 T HN 0.286 nan 8.240 nan 0.000 0.435 145 A N 1.159 123.992 122.820 0.023 0.000 1.902 145 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 145 A C 2.315 179.916 177.584 0.029 0.000 1.181 145 A CA 1.244 53.294 52.037 0.022 0.000 0.623 145 A CB -0.864 18.150 19.000 0.023 0.000 0.818 145 A HN 0.469 nan 8.150 nan 0.000 0.443 146 L N -0.902 120.349 121.223 0.046 0.000 2.056 146 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 146 L C 3.092 180.003 176.870 0.068 0.000 1.078 146 L CA 0.979 55.865 54.840 0.077 0.000 0.749 146 L CB -0.484 41.619 42.059 0.074 0.000 0.901 146 L HN 0.437 nan 8.230 nan 0.000 0.433 147 A N 0.281 123.127 122.820 0.044 0.000 1.902 147 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 147 A C 2.213 179.807 177.584 0.017 0.000 1.181 147 A CA 1.500 53.558 52.037 0.035 0.000 0.623 147 A CB -0.655 18.361 19.000 0.027 0.000 0.818 147 A HN 0.334 nan 8.150 nan 0.000 0.443 148 I N -0.205 120.369 120.570 0.006 0.000 2.163 148 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 148 I C 2.995 179.077 176.117 -0.058 0.000 1.085 148 I CA 1.191 62.483 61.300 -0.014 0.000 1.347 148 I CB -0.336 37.660 38.000 -0.008 0.000 1.044 148 I HN 0.364 nan 8.210 nan 0.000 0.408 149 A N 0.585 123.349 122.820 -0.093 0.000 1.877 149 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 149 A C 2.409 179.817 177.584 -0.293 0.000 1.186 149 A CA 1.955 53.822 52.037 -0.283 0.000 0.620 149 A CB -0.676 18.125 19.000 -0.332 0.000 0.822 149 A HN 0.355 nan 8.150 nan 0.000 0.443 150 R N -0.130 120.344 120.500 -0.044 0.000 2.091 150 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 150 R C 2.006 178.320 176.300 0.023 0.000 1.136 150 R CA 1.925 58.071 56.100 0.076 0.000 0.959 150 R CB -0.269 30.103 30.300 0.119 0.000 0.856 150 R HN 0.688 nan 8.270 nan 0.000 0.437 151 E N -0.621 119.579 120.200 0.001 0.000 2.107 151 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 151 E C 1.932 178.530 176.600 -0.003 0.000 0.982 151 E CA 1.241 57.646 56.400 0.007 0.000 0.809 151 E CB 0.152 29.857 29.700 0.009 0.000 0.756 151 E HN 0.145 nan 8.360 nan 0.000 0.459 152 V N 0.284 120.174 119.914 -0.040 0.000 2.427 152 V HA -0.059 4.061 4.120 -0.000 0.000 0.248 152 V C 0.988 177.054 176.094 -0.047 0.000 1.051 152 V CA 1.199 63.472 62.300 -0.046 0.000 1.048 152 V CB -0.748 31.020 31.823 -0.091 0.000 0.666 152 V HN 0.500 nan 8.190 nan 0.000 0.456 153 G N -1.136 107.615 108.800 -0.082 0.000 3.307 153 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 153 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 153 G C -0.716 174.147 174.900 -0.061 0.000 0.983 153 G CA -0.738 44.355 45.100 -0.013 0.000 0.804 153 G HN 0.215 nan 8.290 nan 0.000 0.531 154 Y N 2.789 123.101 120.300 0.020 0.000 2.379 154 Y HA 0.450 5.000 4.550 -0.000 0.000 0.337 154 Y C -0.510 175.410 175.900 0.033 0.000 1.238 154 Y CA -0.627 57.481 58.100 0.012 0.000 1.405 154 Y CB 0.459 38.932 38.460 0.022 0.000 1.310 154 Y HN 0.557 nan 8.280 nan 0.000 0.569 155 P HA 0.218 nan 4.420 nan 0.000 0.274 155 P C -1.027 176.260 177.300 -0.022 0.000 1.231 155 P CA -0.238 62.908 63.100 0.077 0.000 0.790 155 P CB 1.261 32.916 31.700 -0.075 0.000 0.951 156 V N -0.066 119.772 119.914 -0.127 0.000 3.046 156 V HA 0.686 4.806 4.120 -0.000 0.000 0.316 156 V C -0.412 175.576 176.094 -0.175 0.000 1.104 156 V CA -1.162 61.045 62.300 -0.155 0.000 1.006 156 V CB 2.123 33.777 31.823 -0.281 0.000 1.058 156 V HN 0.560 nan 8.190 nan 0.000 0.440 157 I N 1.767 122.264 120.570 -0.122 0.000 2.545 157 I HA 0.605 4.775 4.170 -0.000 0.000 0.292 157 I C -1.161 174.854 176.117 -0.169 0.000 1.040 157 I CA -1.070 60.127 61.300 -0.171 0.000 1.068 157 I CB 1.737 39.694 38.000 -0.073 0.000 1.251 157 I HN 0.688 nan 8.210 nan 0.000 0.424 158 I N 7.582 128.036 120.570 -0.194 0.000 2.362 158 I HA 0.374 4.544 4.170 -0.000 0.000 0.289 158 I C -0.615 175.341 176.117 -0.269 0.000 0.994 158 I CA -0.647 60.526 61.300 -0.212 0.000 1.158 158 I CB 1.288 39.201 38.000 -0.146 0.000 1.315 158 I HN 0.438 nan 8.210 nan 0.000 0.451 159 K N 5.034 125.158 120.400 -0.460 0.000 2.270 159 K HA 0.712 5.032 4.320 -0.000 0.000 0.255 159 K C -0.516 175.826 176.600 -0.429 0.000 0.936 159 K CA -0.757 55.230 56.287 -0.500 0.000 0.809 159 K CB 2.496 34.540 32.500 -0.760 0.000 1.131 159 K HN 0.644 nan 8.250 nan 0.000 0.427 160 A N 1.630 124.342 122.820 -0.179 0.000 2.440 160 A HA 0.375 4.695 4.320 -0.000 0.000 0.251 160 A C 1.157 178.790 177.584 0.082 0.000 1.089 160 A CA 0.288 52.298 52.037 -0.044 0.000 0.779 160 A CB 0.506 19.497 19.000 -0.015 0.000 1.022 160 A HN 0.939 nan 8.150 nan 0.000 0.492 161 A N 2.725 125.648 122.820 0.171 0.000 1.845 161 A HA 0.173 4.493 4.320 -0.000 0.000 0.215 161 A C 1.638 179.316 177.584 0.156 0.000 1.195 161 A CA 1.771 53.962 52.037 0.257 0.000 0.616 161 A CB -0.841 18.259 19.000 0.166 0.000 0.832 161 A HN 1.614 nan 8.150 nan 0.000 0.443 162 G N -0.854 108.001 108.800 0.091 0.000 4.126 162 G HA2 0.521 4.480 3.960 -0.000 0.000 0.282 162 G HA3 0.521 4.480 3.960 -0.000 0.000 0.282 162 G C 0.095 175.025 174.900 0.049 0.000 1.221 162 G CA 0.480 45.617 45.100 0.061 0.000 1.527 162 G HN 1.058 nan 8.290 nan 0.000 0.612 169 M N 0.573 120.133 119.600 -0.066 0.000 2.446 169 M HA 0.630 5.110 4.480 -0.000 0.000 0.294 169 M C -0.549 175.687 176.300 -0.107 0.000 1.158 169 M CA -0.796 54.446 55.300 -0.096 0.000 0.899 169 M CB 3.469 36.020 32.600 -0.081 0.000 1.687 169 M HN 0.255 nan 8.290 nan 0.000 0.455 170 R N 1.378 121.793 120.500 -0.143 0.000 2.584 170 R HA 0.720 5.060 4.340 -0.000 0.000 0.276 170 R C -2.015 174.147 176.300 -0.229 0.000 1.046 170 R CA -0.561 55.448 56.100 -0.151 0.000 0.906 170 R CB 2.499 32.737 30.300 -0.103 0.000 1.215 170 R HN 0.567 nan 8.270 nan 0.000 0.449 171 V N 4.147 123.885 119.914 -0.293 0.000 2.435 171 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 171 V C -0.382 175.503 176.094 -0.347 0.000 1.030 171 V CA -0.672 61.338 62.300 -0.483 0.000 0.881 171 V CB 1.798 33.132 31.823 -0.815 0.000 0.983 171 V HN 0.446 nan 8.190 nan 0.000 0.445 172 V N 5.027 124.740 119.914 -0.334 0.000 2.495 172 V HA 0.375 4.495 4.120 -0.000 0.000 0.298 172 V C -0.397 175.613 176.094 -0.140 0.000 1.031 172 V CA -0.336 61.898 62.300 -0.109 0.000 0.871 172 V CB 1.428 33.291 31.823 0.065 0.000 0.988 172 V HN 0.854 nan 8.190 nan 0.000 0.432 173 Y N 0.656 121.004 120.300 0.081 0.000 2.507 173 Y HA 0.325 4.875 4.550 -0.000 0.000 0.263 173 Y C 1.005 176.854 175.900 -0.085 0.000 1.093 173 Y CA -0.050 58.095 58.100 0.076 0.000 1.285 173 Y CB 0.841 39.313 38.460 0.021 0.000 1.115 173 Y HN 0.556 nan 8.280 nan 0.000 0.533 174 D N 0.334 120.693 120.400 -0.070 0.000 2.819 174 D HA 0.058 4.698 4.640 -0.000 0.000 0.232 174 D C 0.140 176.176 176.300 -0.441 0.000 1.160 174 D CA -0.153 53.643 54.000 -0.340 0.000 0.858 174 D CB 1.967 42.688 40.800 -0.132 0.000 1.610 174 D HN 0.424 nan 8.370 nan 0.000 0.481 175 E N 0.641 120.443 120.200 -0.664 0.000 2.338 175 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 175 E C 1.205 177.752 176.600 -0.089 0.000 1.007 175 E CA 0.910 57.118 56.400 -0.319 0.000 0.849 175 E CB -0.015 29.561 29.700 -0.206 0.000 0.774 175 E HN 0.272 nan 8.360 nan 0.000 0.506 176 S N 0.490 116.131 115.700 -0.098 0.000 2.474 176 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 176 S C 1.472 176.063 174.600 -0.016 0.000 0.997 176 S CA 0.621 58.796 58.200 -0.042 0.000 0.949 176 S CB 0.047 63.222 63.200 -0.042 0.000 0.766 176 S HN 0.195 nan 8.310 nan 0.000 0.517 177 E N 0.509 120.703 120.200 -0.010 0.000 2.476 177 E HA 0.271 4.621 4.350 -0.000 0.000 0.199 177 E C 1.595 178.216 176.600 0.036 0.000 1.021 177 E CA -0.075 56.334 56.400 0.014 0.000 0.907 177 E CB -0.230 29.485 29.700 0.024 0.000 0.974 177 E HN 0.447 nan 8.360 nan 0.000 0.489 178 L N 1.106 122.369 121.223 0.066 0.000 1.989 178 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 178 L C 1.947 178.845 176.870 0.046 0.000 1.071 178 L CA 1.424 56.319 54.840 0.092 0.000 0.749 178 L CB -0.265 41.894 42.059 0.167 0.000 0.890 178 L HN 0.021 nan 8.230 nan 0.000 0.431 179 I N -0.324 120.269 120.570 0.039 0.000 2.202 179 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 179 I C 2.507 178.632 176.117 0.013 0.000 1.091 179 I CA 1.321 62.636 61.300 0.024 0.000 1.368 179 I CB -1.319 36.694 38.000 0.022 0.000 1.058 179 I HN 0.413 nan 8.210 nan 0.000 0.410 180 K N 0.803 121.209 120.400 0.011 0.000 2.026 180 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 180 K C 2.303 178.904 176.600 0.001 0.000 1.048 180 K CA 1.786 58.076 56.287 0.005 0.000 0.929 180 K CB 0.135 32.637 32.500 0.004 0.000 0.713 180 K HN 0.157 nan 8.250 nan 0.000 0.439 181 S N 0.446 116.147 115.700 0.002 0.000 2.368 181 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 181 S C 1.982 176.571 174.600 -0.019 0.000 1.030 181 S CA 1.205 59.399 58.200 -0.010 0.000 0.999 181 S CB -0.184 63.010 63.200 -0.010 0.000 0.844 181 S HN 0.500 nan 8.310 nan 0.000 0.459 182 A N 1.221 124.033 122.820 -0.013 0.000 1.969 182 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 182 A C 2.029 179.605 177.584 -0.014 0.000 1.169 182 A CA 1.628 53.654 52.037 -0.019 0.000 0.635 182 A CB -0.386 18.608 19.000 -0.010 0.000 0.810 182 A HN 0.404 nan 8.150 nan 0.000 0.445 183 K N -0.323 120.073 120.400 -0.007 0.000 2.057 183 K HA 0.048 4.368 4.320 -0.000 0.000 0.206 183 K C 1.822 178.418 176.600 -0.007 0.000 1.050 183 K CA 1.047 57.332 56.287 -0.004 0.000 0.935 183 K CB -0.300 32.200 32.500 -0.000 0.000 0.715 183 K HN 0.482 nan 8.250 nan 0.000 0.439 184 L N 0.111 121.328 121.223 -0.010 0.000 2.012 184 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 184 L C 2.203 179.062 176.870 -0.018 0.000 1.073 184 L CA 1.592 56.425 54.840 -0.013 0.000 0.748 184 L CB -0.756 41.295 42.059 -0.014 0.000 0.891 184 L HN 0.257 nan 8.230 nan 0.000 0.431 185 T N -0.861 113.678 114.554 -0.025 0.000 2.881 185 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 185 T C 2.011 176.697 174.700 -0.024 0.000 1.068 185 T CA 0.971 63.051 62.100 -0.034 0.000 1.131 185 T CB -0.121 68.715 68.868 -0.054 0.000 0.871 185 T HN 0.294 nan 8.240 nan 0.000 0.479 186 R N 0.644 121.134 120.500 -0.016 0.000 2.057 186 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 186 R C 2.828 179.126 176.300 -0.003 0.000 1.136 186 R CA 1.532 57.628 56.100 -0.006 0.000 0.952 186 R CB -0.874 29.426 30.300 -0.001 0.000 0.848 186 R HN 0.276 nan 8.270 nan 0.000 0.430 187 T N 1.333 115.885 114.554 -0.004 0.000 2.685 187 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 187 T C 1.598 176.296 174.700 -0.003 0.000 1.034 187 T CA 1.691 63.789 62.100 -0.003 0.000 1.149 187 T CB -0.157 68.709 68.868 -0.003 0.000 0.860 187 T HN 0.400 nan 8.240 nan 0.000 0.449 188 E N 0.823 121.019 120.200 -0.007 0.000 2.046 188 E HA 0.042 4.392 4.350 -0.000 0.000 0.190 188 E C 2.614 179.211 176.600 -0.005 0.000 0.982 188 E CA 0.822 57.217 56.400 -0.007 0.000 0.800 188 E CB -0.237 29.455 29.700 -0.013 0.000 0.756 188 E HN 0.462 nan 8.360 nan 0.000 0.449 189 A N 1.199 124.015 122.820 -0.006 0.000 2.024 189 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 189 A C 2.207 179.795 177.584 0.006 0.000 1.164 189 A CA 1.508 53.545 52.037 -0.000 0.000 0.643 189 A CB -0.775 18.225 19.000 -0.000 0.000 0.806 189 A HN 0.318 nan 8.150 nan 0.000 0.451 190 G N -1.714 107.089 108.800 0.005 0.000 3.210 190 G HA2 0.482 4.442 3.960 -0.000 0.000 0.220 190 G HA3 0.482 4.442 3.960 -0.000 0.000 0.220 190 G C 0.223 175.126 174.900 0.005 0.000 1.200 190 G CA 0.917 46.021 45.100 0.007 0.000 0.834 190 G HN 1.040 nan 8.290 nan 0.000 0.524 195 N N 1.111 119.821 118.700 0.016 0.000 2.442 195 N HA 0.510 5.250 4.740 -0.000 0.000 0.274 195 N C -1.488 174.034 175.510 0.021 0.000 1.002 195 N CA -2.103 50.959 53.050 0.020 0.000 0.910 195 N CB 3.019 41.522 38.487 0.026 0.000 1.244 195 N HN -0.112 nan 8.380 nan 0.000 0.492 196 P HA -0.011 nan 4.420 nan 0.000 0.233 196 P C 0.329 177.643 177.300 0.023 0.000 1.167 196 P CA 0.570 63.680 63.100 0.016 0.000 0.770 196 P CB 0.314 32.022 31.700 0.013 0.000 0.837 197 M N 0.105 119.725 119.600 0.035 0.000 2.252 197 M HA 0.127 4.607 4.480 -0.000 0.000 0.333 197 M C -0.064 176.276 176.300 0.067 0.000 1.111 197 M CA 0.785 56.116 55.300 0.052 0.000 1.140 197 M CB 0.686 33.324 32.600 0.062 0.000 1.538 197 M HN -0.262 nan 8.290 nan 0.000 0.448 198 V N 3.248 123.206 119.914 0.073 0.000 3.049 198 V HA 0.584 4.704 4.120 -0.000 0.000 0.309 198 V C -1.202 174.969 176.094 0.127 0.000 1.148 198 V CA -0.706 61.623 62.300 0.048 0.000 0.990 198 V CB 2.376 34.184 31.823 -0.024 0.000 1.039 198 V HN 0.833 nan 8.190 nan 0.000 0.430 199 Y N 1.939 122.235 120.300 -0.006 0.000 2.634 199 Y HA 0.907 5.457 4.550 -0.000 0.000 0.340 199 Y C -1.158 174.732 175.900 -0.015 0.000 1.058 199 Y CA -1.424 56.671 58.100 -0.008 0.000 1.081 199 Y CB 1.867 40.326 38.460 -0.002 0.000 1.295 199 Y HN 0.607 nan 8.280 nan 0.000 0.487 200 L N 1.294 122.583 121.223 0.109 0.000 2.362 200 L HA 0.683 5.023 4.340 -0.000 0.000 0.271 200 L C -1.293 175.619 176.870 0.071 0.000 1.002 200 L CA -0.368 54.468 54.840 -0.006 0.000 0.818 200 L CB 2.128 44.171 42.059 -0.026 0.000 1.298 200 L HN 0.924 nan 8.230 nan 0.000 0.420 201 E N 2.795 123.000 120.200 0.007 0.000 2.393 201 E HA 0.282 4.632 4.350 -0.000 0.000 0.273 201 E C -1.579 175.012 176.600 -0.015 0.000 0.918 201 E CA -1.121 55.300 56.400 0.036 0.000 0.773 201 E CB 2.512 32.263 29.700 0.084 0.000 1.275 201 E HN 0.419 nan 8.360 nan 0.000 0.451 202 K N 1.507 121.885 120.400 -0.037 0.000 2.448 202 K HA 0.111 4.431 4.320 -0.000 0.000 0.278 202 K C -1.085 175.489 176.600 -0.044 0.000 1.009 202 K CA 0.041 56.281 56.287 -0.080 0.000 0.995 202 K CB 0.384 32.793 32.500 -0.152 0.000 0.917 202 K HN 0.306 nan 8.250 nan 0.000 0.481 203 F N 5.467 125.311 119.950 -0.176 0.000 2.443 203 F HA 0.367 4.894 4.527 -0.000 0.000 0.335 203 F C -1.012 174.705 175.800 -0.137 0.000 1.104 203 F CA -0.863 57.047 58.000 -0.149 0.000 1.013 203 F CB 0.797 39.702 39.000 -0.158 0.000 1.136 203 F HN 0.295 nan 8.300 nan 0.000 0.470 204 L N 6.157 126.878 121.223 -0.836 0.000 2.287 204 L HA 0.289 4.629 4.340 -0.000 0.000 0.287 204 L C 1.034 177.474 176.870 -0.716 0.000 1.022 204 L CA -0.361 54.131 54.840 -0.580 0.000 0.814 204 L CB 1.800 43.602 42.059 -0.429 0.000 1.217 204 L HN 0.846 nan 8.230 nan 0.000 0.420 205 T N -1.268 113.135 114.554 -0.251 0.000 2.852 205 T HA 0.023 4.373 4.350 -0.000 0.000 0.256 205 T C 0.873 175.621 174.700 0.079 0.000 1.038 205 T CA 0.535 62.644 62.100 0.014 0.000 1.141 205 T CB 0.053 69.057 68.868 0.226 0.000 0.869 205 T HN 0.441 nan 8.240 nan 0.000 0.439 206 N N 2.807 121.533 118.700 0.043 0.000 2.813 206 N HA 0.369 5.109 4.740 -0.000 0.000 0.282 206 N C -2.977 172.540 175.510 0.011 0.000 1.748 206 N CA -1.138 51.959 53.050 0.078 0.000 0.860 206 N CB 1.719 40.261 38.487 0.091 0.000 1.204 206 N HN 0.445 nan 8.380 nan 0.000 0.490 207 P HA 0.370 nan 4.420 nan 0.000 0.282 207 P C -0.356 176.949 177.300 0.009 0.000 1.259 207 P CA -0.391 62.688 63.100 -0.035 0.000 0.826 207 P CB 1.785 33.437 31.700 -0.080 0.000 1.064 208 R N 0.006 120.559 120.500 0.088 0.000 2.664 208 R HA 0.376 4.716 4.340 -0.000 0.000 0.286 208 R C -0.051 176.348 176.300 0.166 0.000 0.967 208 R CA -0.729 55.448 56.100 0.128 0.000 0.933 208 R CB 0.902 31.297 30.300 0.158 0.000 1.146 208 R HN 0.607 nan 8.270 nan 0.000 0.468 209 H N 1.785 120.904 119.070 0.081 0.000 2.846 209 H HA 0.287 4.843 4.556 0.000 0.000 0.278 209 H C -1.032 174.378 175.328 0.136 0.000 1.117 209 H CA -0.311 55.800 56.048 0.105 0.000 1.406 209 H CB 0.434 30.236 29.762 0.067 0.000 1.445 209 H HN 0.119 nan 8.280 nan 0.000 0.469 210 V N 6.540 126.536 119.914 0.136 0.000 2.540 210 V HA 0.259 4.379 4.120 -0.000 0.000 0.302 210 V C -0.375 175.890 176.094 0.285 0.000 1.035 210 V CA -0.772 61.666 62.300 0.231 0.000 0.873 210 V CB 1.502 33.451 31.823 0.210 0.000 0.992 210 V HN 0.908 nan 8.190 nan 0.000 0.428 211 E N 3.686 124.067 120.200 0.302 0.000 2.312 211 E HA 0.802 5.152 4.350 -0.000 0.000 0.267 211 E C -1.828 174.975 176.600 0.338 0.000 0.894 211 E CA -0.913 55.681 56.400 0.323 0.000 0.773 211 E CB 2.634 32.482 29.700 0.246 0.000 1.241 211 E HN 0.277 nan 8.360 nan 0.000 0.432 212 V N 1.728 121.880 119.914 0.397 0.000 2.417 212 V HA 0.198 4.317 4.120 -0.000 0.000 0.291 212 V C -0.399 175.868 176.094 0.289 0.000 1.024 212 V CA -0.770 61.742 62.300 0.353 0.000 0.861 212 V CB 1.278 33.348 31.823 0.412 0.000 0.985 212 V HN 0.722 nan 8.190 nan 0.000 0.436 213 Q N 4.127 124.038 119.800 0.186 0.000 2.279 213 Q HA 0.590 4.930 4.340 -0.000 0.000 0.256 213 Q C -0.711 175.370 176.000 0.134 0.000 0.937 213 Q CA -0.213 55.674 55.803 0.139 0.000 0.933 213 Q CB 1.644 30.442 28.738 0.099 0.000 1.189 213 Q HN 0.776 nan 8.270 nan 0.000 0.417 214 V N 1.938 121.934 119.914 0.136 0.000 2.960 214 V HA 0.746 4.866 4.120 -0.000 0.000 0.315 214 V C -0.969 175.186 176.094 0.100 0.000 1.087 214 V CA -1.029 61.350 62.300 0.132 0.000 0.982 214 V CB 1.904 33.856 31.823 0.215 0.000 1.039 214 V HN 0.757 nan 8.190 nan 0.000 0.437 215 L N 2.404 123.680 121.223 0.090 0.000 2.410 215 L HA 0.752 5.092 4.340 -0.000 0.000 0.270 215 L C -0.294 176.644 176.870 0.114 0.000 0.983 215 L CA -0.246 54.651 54.840 0.094 0.000 0.822 215 L CB 2.116 44.198 42.059 0.039 0.000 1.285 215 L HN 0.897 nan 8.230 nan 0.000 0.409 216 S N 0.266 116.062 115.700 0.160 0.000 2.571 216 S HA 0.288 4.758 4.470 -0.000 0.000 0.284 216 S C -0.102 174.544 174.600 0.077 0.000 1.128 216 S CA -0.704 57.589 58.200 0.153 0.000 0.970 216 S CB 1.260 64.639 63.200 0.298 0.000 1.039 216 S HN 0.753 nan 8.310 nan 0.000 0.485 217 D N 2.671 123.095 120.400 0.040 0.000 2.340 217 D HA 0.179 4.819 4.640 -0.000 0.000 0.220 217 D C 1.329 177.624 176.300 -0.008 0.000 1.039 217 D CA 0.709 54.712 54.000 0.005 0.000 0.866 217 D CB -0.462 40.338 40.800 0.000 0.000 0.913 217 D HN 0.959 nan 8.370 nan 0.000 0.523 218 G N 0.467 109.270 108.800 0.006 0.000 2.168 218 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.257 218 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.257 218 G C 0.419 175.318 174.900 -0.000 0.000 0.997 218 G CA 0.490 45.587 45.100 -0.005 0.000 0.708 218 G HN 0.506 nan 8.290 nan 0.000 0.520 219 Q N -1.370 118.433 119.800 0.006 0.000 2.106 219 Q HA 0.467 4.807 4.340 -0.000 0.000 0.273 219 Q C 1.456 177.461 176.000 0.009 0.000 0.853 219 Q CA 0.248 56.053 55.803 0.004 0.000 1.118 219 Q CB 1.106 29.842 28.738 -0.002 0.000 1.240 219 Q HN 1.344 nan 8.270 nan 0.000 0.445 220 G N 1.018 109.829 108.800 0.018 0.000 2.213 220 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.226 220 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.226 220 G C -0.076 174.837 174.900 0.022 0.000 0.992 220 G CA -0.490 44.621 45.100 0.019 0.000 0.632 220 G HN 0.312 nan 8.290 nan 0.000 0.511 221 N N 0.917 119.630 118.700 0.022 0.000 2.361 221 N HA 0.742 5.482 4.740 -0.000 0.000 0.302 221 N C -0.235 175.296 175.510 0.036 0.000 1.074 221 N CA 0.505 53.567 53.050 0.020 0.000 0.850 221 N CB 2.088 40.580 38.487 0.008 0.000 1.228 221 N HN 1.016 nan 8.380 nan 0.000 0.491 222 A N 1.262 124.101 122.820 0.032 0.000 2.574 222 A HA 0.729 5.049 4.320 -0.000 0.000 0.297 222 A C -0.851 176.740 177.584 0.012 0.000 1.062 222 A CA -0.759 51.306 52.037 0.047 0.000 0.686 222 A CB 1.240 20.290 19.000 0.084 0.000 1.285 222 A HN 0.678 nan 8.150 nan 0.000 0.403 223 I N -0.976 119.592 120.570 -0.003 0.000 3.074 223 I HA 0.822 4.992 4.170 -0.000 0.000 0.310 223 I C -0.518 175.563 176.117 -0.060 0.000 1.153 223 I CA -1.056 60.195 61.300 -0.081 0.000 0.993 223 I CB 2.186 40.101 38.000 -0.143 0.000 1.237 223 I HN 0.953 nan 8.210 nan 0.000 0.443 224 H N 2.810 121.797 119.070 -0.138 0.000 2.502 224 H HA 0.657 5.213 4.556 -0.000 0.000 0.338 224 H C -1.059 174.127 175.328 -0.236 0.000 1.155 224 H CA -1.165 54.751 56.048 -0.220 0.000 1.237 224 H CB 1.764 31.250 29.762 -0.461 0.000 1.534 224 H HN 0.655 nan 8.280 nan 0.000 0.523 225 L N 2.914 124.110 121.223 -0.046 0.000 3.141 225 L HA 0.389 4.729 4.340 -0.000 0.000 0.263 225 L C 0.821 177.692 176.870 0.001 0.000 1.312 225 L CA 0.017 54.826 54.840 -0.053 0.000 1.012 225 L CB -0.197 41.848 42.059 -0.023 0.000 1.408 225 L HN 1.220 nan 8.230 nan 0.000 0.559 226 G N 1.481 110.286 108.800 0.008 0.000 2.697 226 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.240 226 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.240 226 G C -0.773 174.172 174.900 0.075 0.000 1.346 226 G CA 0.064 45.123 45.100 -0.068 0.000 0.887 226 G HN 0.544 nan 8.290 nan 0.000 0.569 227 D N -1.058 119.478 120.400 0.226 0.000 2.497 227 D HA 0.792 5.432 4.640 -0.000 0.000 0.243 227 D C 0.285 176.673 176.300 0.146 0.000 1.039 227 D CA -0.861 53.278 54.000 0.232 0.000 1.052 227 D CB 0.962 41.935 40.800 0.287 0.000 1.344 227 D HN 0.781 nan 8.370 nan 0.000 0.553 228 R N -0.709 119.887 120.500 0.160 0.000 2.795 228 R HA 0.478 4.818 4.340 -0.000 0.000 0.275 228 R C -1.345 175.056 176.300 0.168 0.000 0.981 228 R CA -0.970 55.208 56.100 0.130 0.000 0.917 228 R CB 1.934 32.309 30.300 0.126 0.000 1.202 228 R HN 0.526 nan 8.270 nan 0.000 0.469 229 D N 1.007 121.496 120.400 0.148 0.000 2.308 229 D HA 0.269 4.909 4.640 -0.000 0.000 0.242 229 D C -0.612 175.790 176.300 0.170 0.000 1.059 229 D CA -0.386 53.721 54.000 0.178 0.000 0.830 229 D CB 1.496 42.383 40.800 0.145 0.000 1.161 229 D HN 0.573 nan 8.370 nan 0.000 0.494 230 C N 2.855 122.257 119.300 0.170 0.000 2.913 230 C HA 0.221 4.681 4.460 -0.000 0.000 0.246 230 C C 1.784 176.746 174.990 -0.046 0.000 1.857 230 C CA -0.500 58.514 59.018 -0.007 0.000 1.690 230 C CB -1.105 26.502 27.740 -0.222 0.000 3.235 230 C HN 0.520 nan 8.230 nan 0.000 0.475 231 S N 0.886 116.635 115.700 0.081 0.000 2.428 231 S HA 0.044 4.514 4.470 -0.000 0.000 0.230 231 S C 0.788 175.400 174.600 0.019 0.000 1.014 231 S CA 0.683 58.929 58.200 0.076 0.000 0.957 231 S CB -0.069 63.201 63.200 0.117 0.000 0.784 231 S HN 0.670 nan 8.310 nan 0.000 0.499 232 L N 2.751 123.972 121.223 -0.003 0.000 2.485 232 L HA 0.204 4.544 4.340 -0.000 0.000 0.279 232 L C -0.001 176.817 176.870 -0.087 0.000 1.124 232 L CA 0.218 55.026 54.840 -0.054 0.000 0.888 232 L CB 0.026 41.990 42.059 -0.157 0.000 1.217 232 L HN 0.263 nan 8.230 nan 0.000 0.464 233 Q N 3.786 123.529 119.800 -0.095 0.000 2.416 233 Q HA 0.538 4.878 4.340 -0.000 0.000 0.281 233 Q C -1.030 174.866 176.000 -0.173 0.000 1.067 233 Q CA -0.939 54.784 55.803 -0.133 0.000 0.809 233 Q CB 3.349 32.009 28.738 -0.130 0.000 1.418 233 Q HN 0.421 nan 8.270 nan 0.000 0.411 234 R N 1.596 121.969 120.500 -0.211 0.000 2.476 234 R HA 0.324 4.664 4.340 -0.000 0.000 0.305 234 R C -0.749 175.407 176.300 -0.241 0.000 0.965 234 R CA -0.404 55.533 56.100 -0.271 0.000 0.867 234 R CB 0.784 30.839 30.300 -0.408 0.000 1.176 234 R HN 0.630 nan 8.270 nan 0.000 0.447 235 R N 4.335 124.687 120.500 -0.247 0.000 3.416 235 R HA -0.191 4.149 4.340 -0.000 0.000 0.263 235 R C -0.419 175.833 176.300 -0.081 0.000 1.053 235 R CA 1.186 57.184 56.100 -0.171 0.000 0.705 235 R CB -2.475 27.770 30.300 -0.092 0.000 1.124 235 R HN 1.029 nan 8.270 nan 0.000 0.444 236 H N -2.643 116.391 119.070 -0.061 0.000 2.921 236 H HA -0.216 4.340 4.556 -0.000 0.000 0.281 236 H C 0.436 175.714 175.328 -0.083 0.000 1.165 236 H CA 1.671 57.684 56.048 -0.058 0.000 1.151 236 H CB -0.811 28.932 29.762 -0.032 0.000 1.311 236 H HN 0.683 nan 8.280 nan 0.000 0.361 237 Q N 1.363 121.135 119.800 -0.047 0.000 2.325 237 Q HA 0.327 4.667 4.340 -0.000 0.000 0.262 237 Q C -0.487 175.451 176.000 -0.104 0.000 0.968 237 Q CA -0.737 55.023 55.803 -0.071 0.000 0.877 237 Q CB 1.119 29.811 28.738 -0.078 0.000 1.253 237 Q HN 0.217 nan 8.270 nan 0.000 0.448 238 K N 2.143 122.476 120.400 -0.112 0.000 2.382 238 K HA 0.085 4.405 4.320 -0.000 0.000 0.275 238 K C 0.224 176.777 176.600 -0.078 0.000 1.009 238 K CA -0.248 55.967 56.287 -0.121 0.000 0.970 238 K CB 1.277 33.687 32.500 -0.150 0.000 0.934 238 K HN 0.440 nan 8.250 nan 0.000 0.479 239 V N 2.715 122.594 119.914 -0.059 0.000 2.996 239 V HA 0.187 4.307 4.120 -0.000 0.000 0.235 239 V C 0.433 176.586 176.094 0.097 0.000 1.205 239 V CA 0.362 62.665 62.300 0.005 0.000 1.225 239 V CB 0.294 32.081 31.823 -0.061 0.000 0.995 239 V HN 0.600 nan 8.190 nan 0.000 0.484 240 I N 0.411 120.998 120.570 0.027 0.000 2.582 240 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 240 I C -1.113 175.030 176.117 0.044 0.000 1.066 240 I CA -0.425 60.903 61.300 0.046 0.000 1.053 240 I CB 2.509 40.511 38.000 0.003 0.000 1.241 240 I HN 0.196 nan 8.210 nan 0.000 0.421 241 E N 4.178 124.418 120.200 0.067 0.000 2.336 241 E HA 0.611 4.961 4.350 -0.000 0.000 0.267 241 E C -1.388 175.289 176.600 0.130 0.000 0.906 241 E CA -0.902 55.548 56.400 0.084 0.000 0.781 241 E CB 2.280 31.998 29.700 0.030 0.000 1.261 241 E HN 0.592 nan 8.360 nan 0.000 0.436 242 E N -0.201 120.081 120.200 0.136 0.000 2.429 242 E HA 0.864 5.214 4.350 -0.000 0.000 0.276 242 E C -1.507 175.103 176.600 0.016 0.000 0.953 242 E CA -1.531 54.943 56.400 0.122 0.000 0.787 242 E CB 1.900 31.752 29.700 0.253 0.000 1.307 242 E HN 0.455 nan 8.360 nan 0.000 0.458 243 A N 1.380 124.113 122.820 -0.146 0.000 2.520 243 A HA 0.675 4.995 4.320 -0.000 0.000 0.298 243 A C -2.805 174.425 177.584 -0.589 0.000 1.051 243 A CA -1.555 50.351 52.037 -0.218 0.000 0.690 243 A CB 1.647 20.597 19.000 -0.082 0.000 1.281 243 A HN 0.519 nan 8.150 nan 0.000 0.402 244 P HA 0.362 nan 4.420 nan 0.000 0.274 244 P C 0.073 177.333 177.300 -0.066 0.000 1.256 244 P CA 0.034 63.065 63.100 -0.116 0.000 0.795 244 P CB 0.677 32.375 31.700 -0.003 0.000 1.038 245 A N 2.442 125.278 122.820 0.026 0.000 2.524 245 A HA 0.303 4.623 4.320 -0.000 0.000 0.250 245 A C -1.801 175.809 177.584 0.042 0.000 1.078 245 A CA -0.826 51.236 52.037 0.041 0.000 0.761 245 A CB -1.342 17.663 19.000 0.007 0.000 1.012 245 A HN 0.410 nan 8.150 nan 0.000 0.500 246 P HA 0.330 nan 4.420 nan 0.000 0.281 246 P C 0.595 177.885 177.300 -0.016 0.000 1.249 246 P CA 0.881 64.016 63.100 0.059 0.000 0.810 246 P CB 0.915 32.643 31.700 0.045 0.000 1.008 247 G N 2.103 110.893 108.800 -0.016 0.000 2.338 247 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.296 247 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.296 247 G C -0.048 174.823 174.900 -0.049 0.000 1.040 247 G CA -0.330 44.757 45.100 -0.022 0.000 1.004 247 G HN 0.446 nan 8.290 nan 0.000 0.509 248 I N 0.216 120.730 120.570 -0.093 0.000 2.437 248 I HA 0.266 4.436 4.170 -0.000 0.000 0.298 248 I C 0.534 176.626 176.117 -0.041 0.000 0.984 248 I CA -1.360 59.831 61.300 -0.182 0.000 1.214 248 I CB 1.588 39.416 38.000 -0.288 0.000 1.365 248 I HN 0.242 nan 8.210 nan 0.000 0.469 249 D N 4.472 124.906 120.400 0.057 0.000 2.412 249 D HA -0.092 4.548 4.640 -0.000 0.000 0.257 249 D C 0.921 177.230 176.300 0.016 0.000 1.217 249 D CA 0.266 54.301 54.000 0.059 0.000 0.897 249 D CB 1.196 42.055 40.800 0.098 0.000 1.132 249 D HN 0.530 nan 8.370 nan 0.000 0.493 250 E N 3.734 123.925 120.200 -0.014 0.000 2.110 250 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 250 E C 1.338 177.896 176.600 -0.071 0.000 0.988 250 E CA 1.364 57.735 56.400 -0.049 0.000 0.804 250 E CB 0.213 29.897 29.700 -0.026 0.000 0.745 250 E HN 0.280 nan 8.360 nan 0.000 0.458 251 K N 0.082 120.457 120.400 -0.041 0.000 2.026 251 K HA 0.047 4.367 4.320 -0.000 0.000 0.208 251 K C 1.906 178.461 176.600 -0.075 0.000 1.048 251 K CA 1.364 57.620 56.287 -0.052 0.000 0.929 251 K CB -0.770 31.712 32.500 -0.030 0.000 0.713 251 K HN 0.205 nan 8.250 nan 0.000 0.439 252 A N 0.867 123.675 122.820 -0.020 0.000 1.902 252 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 252 A C 2.203 179.712 177.584 -0.124 0.000 1.181 252 A CA 1.835 53.890 52.037 0.030 0.000 0.623 252 A CB -0.493 18.641 19.000 0.222 0.000 0.818 252 A HN 0.311 nan 8.150 nan 0.000 0.443 253 R N -0.853 119.538 120.500 -0.183 0.000 2.080 253 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 253 R C 2.150 177.877 176.300 -0.955 0.000 1.137 253 R CA 1.794 57.497 56.100 -0.663 0.000 0.943 253 R CB -0.322 29.639 30.300 -0.565 0.000 0.846 253 R HN 0.458 nan 8.270 nan 0.000 0.431 254 Q N 0.530 120.017 119.800 -0.522 0.000 2.170 254 Q HA -0.193 4.147 4.340 -0.000 0.000 0.203 254 Q C 1.844 177.704 176.000 -0.233 0.000 0.976 254 Q CA 1.570 57.195 55.803 -0.297 0.000 0.858 254 Q CB -0.205 28.472 28.738 -0.101 0.000 0.907 254 Q HN 0.577 nan 8.270 nan 0.000 0.433 255 E N 0.137 120.186 120.200 -0.251 0.000 2.038 255 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 255 E C 1.973 178.402 176.600 -0.284 0.000 1.000 255 E CA 1.303 57.578 56.400 -0.208 0.000 0.803 255 E CB 0.058 29.656 29.700 -0.171 0.000 0.750 255 E HN 0.138 nan 8.360 nan 0.000 0.448 256 V N 0.280 119.898 119.914 -0.495 0.000 2.548 256 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 256 V C 1.901 177.760 176.094 -0.392 0.000 1.055 256 V CA 1.340 63.272 62.300 -0.614 0.000 1.065 256 V CB -0.474 30.593 31.823 -1.259 0.000 0.681 256 V HN 0.375 nan 8.190 nan 0.000 0.462 257 F N 0.502 120.168 119.950 -0.473 0.000 2.065 257 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 257 F C 2.573 178.234 175.800 -0.232 0.000 1.112 257 F CA 1.201 58.953 58.000 -0.413 0.000 1.212 257 F CB -0.563 38.090 39.000 -0.579 0.000 0.975 257 F HN 0.301 nan 8.300 nan 0.000 0.476 258 A N 0.133 122.965 122.820 0.020 0.000 1.902 258 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 258 A C 1.989 179.537 177.584 -0.060 0.000 1.181 258 A CA 1.663 53.702 52.037 0.002 0.000 0.623 258 A CB -0.594 18.398 19.000 -0.013 0.000 0.818 258 A HN 0.226 nan 8.150 nan 0.000 0.443 259 R N -0.877 119.550 120.500 -0.122 0.000 2.092 259 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 259 R C 2.121 178.280 176.300 -0.236 0.000 1.119 259 R CA 1.565 57.572 56.100 -0.155 0.000 0.970 259 R CB -1.214 28.984 30.300 -0.171 0.000 0.864 259 R HN 0.620 nan 8.270 nan 0.000 0.440 260 C N -0.792 118.314 119.300 -0.324 0.000 2.429 260 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 260 C C 2.540 177.344 174.990 -0.310 0.000 1.262 260 C CA 0.497 59.128 59.018 -0.644 0.000 1.733 260 C CB -0.646 26.722 27.740 -0.620 0.000 2.010 260 C HN 0.263 nan 8.230 nan 0.000 0.483 261 V N 0.405 120.258 119.914 -0.102 0.000 2.295 261 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 261 V C 2.527 178.620 176.094 -0.002 0.000 1.049 261 V CA 2.138 64.438 62.300 0.001 0.000 1.024 261 V CB -0.877 30.969 31.823 0.037 0.000 0.648 261 V HN 0.608 nan 8.190 nan 0.000 0.447 262 Q N -0.232 119.548 119.800 -0.033 0.000 2.096 262 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 262 Q C 2.277 178.271 176.000 -0.009 0.000 0.982 262 Q CA 2.095 57.886 55.803 -0.021 0.000 0.850 262 Q CB -0.278 28.437 28.738 -0.039 0.000 0.901 262 Q HN 0.647 nan 8.270 nan 0.000 0.422 263 A N 0.141 122.935 122.820 -0.044 0.000 1.908 263 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 263 A C 2.387 180.041 177.584 0.117 0.000 1.181 263 A CA 1.531 53.575 52.037 0.011 0.000 0.627 263 A CB -1.149 17.826 19.000 -0.041 0.000 0.818 263 A HN 0.652 nan 8.150 nan 0.000 0.445 264 C N -0.616 118.782 119.300 0.163 0.000 2.398 264 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 264 C C 2.560 177.650 174.990 0.166 0.000 1.222 264 C CA 1.152 60.299 59.018 0.214 0.000 1.746 264 C CB -1.456 26.411 27.740 0.211 0.000 2.039 264 C HN 0.636 nan 8.230 nan 0.000 0.470 265 I N 0.519 121.151 120.570 0.104 0.000 2.226 265 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 265 I C 2.560 178.716 176.117 0.065 0.000 1.100 265 I CA 1.625 62.970 61.300 0.074 0.000 1.374 265 I CB -0.556 37.471 38.000 0.045 0.000 1.057 265 I HN 0.469 nan 8.210 nan 0.000 0.413 266 E N 0.930 121.165 120.200 0.058 0.000 2.072 266 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 266 E C 2.167 178.802 176.600 0.058 0.000 0.982 266 E CA 1.404 57.830 56.400 0.044 0.000 0.803 266 E CB -0.089 29.627 29.700 0.027 0.000 0.755 266 E HN 0.627 nan 8.360 nan 0.000 0.453 267 I N -2.599 118.024 120.570 0.087 0.000 3.428 267 I HA 0.242 4.412 4.170 -0.000 0.000 0.286 267 I C 1.060 177.243 176.117 0.110 0.000 1.287 267 I CA 0.658 62.018 61.300 0.100 0.000 1.396 267 I CB -0.168 37.909 38.000 0.128 0.000 1.062 267 I HN 0.103 nan 8.210 nan 0.000 0.471 268 G N 1.581 110.448 108.800 0.111 0.000 2.256 268 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.272 268 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.272 268 G C -0.079 174.884 174.900 0.104 0.000 1.076 268 G CA 0.158 45.310 45.100 0.087 0.000 0.882 268 G HN 0.661 nan 8.290 nan 0.000 0.497 269 Y N 0.384 120.710 120.300 0.044 0.000 2.497 269 Y HA 0.479 5.029 4.550 -0.000 0.000 0.334 269 Y C 0.947 176.864 175.900 0.029 0.000 1.199 269 Y CA 0.115 58.240 58.100 0.041 0.000 1.425 269 Y CB 0.572 39.067 38.460 0.059 0.000 1.291 269 Y HN 0.359 nan 8.280 nan 0.000 0.562 270 R N 4.165 124.316 120.500 -0.581 0.000 2.502 270 R HA 0.554 4.894 4.340 -0.000 0.000 0.298 270 R C -0.508 175.506 176.300 -0.477 0.000 1.018 270 R CA 0.292 56.187 56.100 -0.341 0.000 0.899 270 R CB 0.926 31.097 30.300 -0.215 0.000 1.181 270 R HN 1.005 nan 8.270 nan 0.000 0.444 271 G N 2.008 110.700 108.800 -0.180 0.000 2.342 271 G HA2 0.133 4.093 3.960 -0.000 0.000 0.220 271 G HA3 0.133 4.093 3.960 -0.000 0.000 0.220 271 G C -1.483 173.498 174.900 0.134 0.000 1.243 271 G CA -0.428 44.615 45.100 -0.096 0.000 1.083 271 G HN 0.773 nan 8.290 nan 0.000 0.500 272 A N -0.446 122.446 122.820 0.119 0.000 2.301 272 A HA 0.969 5.289 4.320 -0.000 0.000 0.312 272 A C 0.632 178.369 177.584 0.256 0.000 1.182 272 A CA 0.912 53.044 52.037 0.157 0.000 0.826 272 A CB 1.155 20.189 19.000 0.056 0.000 1.134 272 A HN 2.471 nan 8.150 nan 0.000 0.501 273 G N -0.158 108.713 108.800 0.117 0.000 2.692 273 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 273 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 273 G C -1.094 173.715 174.900 -0.151 0.000 1.423 273 G CA -0.404 44.627 45.100 -0.114 0.000 0.843 273 G HN 0.757 nan 8.290 nan 0.000 0.486 274 T N 0.500 114.919 114.554 -0.225 0.000 2.881 274 T HA 0.515 4.865 4.350 -0.000 0.000 0.290 274 T C -1.305 173.240 174.700 -0.258 0.000 1.000 274 T CA -0.192 61.845 62.100 -0.106 0.000 0.978 274 T CB 1.190 70.063 68.868 0.008 0.000 0.997 274 T HN 0.280 nan 8.240 nan 0.000 0.443 275 F N 2.266 122.218 119.950 0.002 0.000 2.361 275 F HA 0.339 4.866 4.527 0.000 0.000 0.364 275 F C 1.042 176.703 175.800 -0.232 0.000 1.120 275 F CA -0.852 57.097 58.000 -0.085 0.000 1.102 275 F CB 0.802 39.820 39.000 0.030 0.000 1.183 275 F HN 0.431 nan 8.300 nan 0.000 0.476 276 E N 3.858 123.898 120.200 -0.267 0.000 2.259 276 E HA 0.416 4.766 4.350 -0.000 0.000 0.281 276 E C -1.100 175.135 176.600 -0.608 0.000 1.027 276 E CA -0.286 55.916 56.400 -0.330 0.000 0.838 276 E CB 1.196 30.733 29.700 -0.271 0.000 1.066 276 E HN 0.352 nan 8.360 nan 0.000 0.401 277 F N 1.346 121.242 119.950 -0.090 0.000 2.593 277 F HA 0.413 4.940 4.527 0.000 0.000 0.320 277 F C -0.091 175.691 175.800 -0.030 0.000 1.060 277 F CA -0.987 57.043 58.000 0.050 0.000 0.940 277 F CB 1.088 40.288 39.000 0.333 0.000 1.268 277 F HN 0.157 nan 8.300 nan 0.000 0.475 278 L N 1.832 123.223 121.223 0.281 0.000 2.307 278 L HA 0.402 4.742 4.340 -0.000 0.000 0.282 278 L C -1.335 175.714 176.870 0.297 0.000 1.051 278 L CA -0.848 54.116 54.840 0.206 0.000 0.804 278 L CB 1.442 43.568 42.059 0.111 0.000 1.197 278 L HN 0.585 nan 8.230 nan 0.000 0.431 279 Y N 2.910 123.211 120.300 0.002 0.000 2.425 279 Y HA 0.561 5.111 4.550 -0.000 0.000 0.344 279 Y C -0.715 175.119 175.900 -0.110 0.000 0.969 279 Y CA -0.500 57.479 58.100 -0.202 0.000 1.052 279 Y CB 1.674 39.855 38.460 -0.465 0.000 1.215 279 Y HN 0.624 nan 8.280 nan 0.000 0.451 280 E N 4.159 123.947 120.200 -0.686 0.000 2.378 280 E HA 0.223 4.573 4.350 -0.000 0.000 0.283 280 E C -1.117 175.174 176.600 -0.515 0.000 0.979 280 E CA -0.632 55.493 56.400 -0.458 0.000 0.795 280 E CB 0.853 30.460 29.700 -0.155 0.000 1.221 280 E HN 0.822 nan 8.360 nan 0.000 0.428 281 N N 2.203 120.681 118.700 -0.370 0.000 2.716 281 N HA -0.237 4.503 4.740 -0.000 0.000 0.250 281 N C 0.529 175.845 175.510 -0.324 0.000 1.033 281 N CA 1.746 54.649 53.050 -0.244 0.000 0.727 281 N CB -1.381 37.035 38.487 -0.117 0.000 0.950 281 N HN 0.985 nan 8.380 nan 0.000 0.541 282 G N -1.194 107.270 108.800 -0.560 0.000 2.155 282 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.257 282 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.257 282 G C 0.089 174.764 174.900 -0.375 0.000 0.983 282 G CA 0.737 45.620 45.100 -0.361 0.000 0.676 282 G HN 0.620 nan 8.290 nan 0.000 0.528 283 R N -1.188 118.939 120.500 -0.622 0.000 2.670 283 R HA 0.670 5.010 4.340 -0.000 0.000 0.289 283 R C -0.756 175.144 176.300 -0.667 0.000 0.965 283 R CA -0.791 55.013 56.100 -0.493 0.000 0.899 283 R CB 1.136 31.169 30.300 -0.445 0.000 1.173 283 R HN 0.056 nan 8.270 nan 0.000 0.456 284 F N 1.496 121.164 119.950 -0.469 0.000 2.399 284 F HA 0.442 4.969 4.527 -0.000 0.000 0.328 284 F C -0.365 175.150 175.800 -0.475 0.000 1.084 284 F CA -0.329 57.474 58.000 -0.328 0.000 1.053 284 F CB 1.050 39.755 39.000 -0.493 0.000 1.209 284 F HN 0.327 nan 8.300 nan 0.000 0.502 285 Y N 1.802 122.365 120.300 0.439 0.000 2.332 285 Y HA 0.256 4.806 4.550 -0.000 0.000 0.325 285 Y C -0.578 175.633 175.900 0.517 0.000 1.054 285 Y CA -1.270 57.068 58.100 0.395 0.000 1.119 285 Y CB 1.290 39.857 38.460 0.179 0.000 1.168 285 Y HN 0.488 nan 8.280 nan 0.000 0.439 286 F N 4.523 124.760 119.950 0.478 0.000 2.578 286 F HA 0.231 4.758 4.527 0.000 0.000 0.376 286 F C 0.274 176.093 175.800 0.032 0.000 1.085 286 F CA 0.418 58.480 58.000 0.104 0.000 1.260 286 F CB 0.531 39.581 39.000 0.084 0.000 1.095 286 F HN 0.553 nan 8.300 nan 0.000 0.573 287 I N 2.069 122.103 120.570 -0.894 0.000 3.136 287 I HA 0.222 4.392 4.170 -0.000 0.000 0.262 287 I C -0.039 175.380 176.117 -1.164 0.000 1.132 287 I CA 0.134 60.998 61.300 -0.726 0.000 1.450 287 I CB 0.091 37.842 38.000 -0.414 0.000 1.315 287 I HN 0.567 nan 8.210 nan 0.000 0.460 288 E N 0.751 120.093 120.200 -1.430 0.000 2.380 288 E HA 0.346 4.696 4.350 -0.000 0.000 0.281 288 E C -1.623 174.716 176.600 -0.435 0.000 0.999 288 E CA -0.538 55.399 56.400 -0.772 0.000 0.800 288 E CB 2.468 31.964 29.700 -0.341 0.000 1.228 288 E HN -0.003 nan 8.360 nan 0.000 0.436 289 M N 3.626 123.200 119.600 -0.044 0.000 2.149 289 M HA 0.408 4.888 4.480 -0.000 0.000 0.342 289 M C -1.340 174.875 176.300 -0.143 0.000 1.068 289 M CA -0.627 54.580 55.300 -0.155 0.000 0.991 289 M CB 0.830 33.280 32.600 -0.249 0.000 1.596 289 M HN 0.341 nan 8.290 nan 0.000 0.439 290 N N 3.781 122.386 118.700 -0.159 0.000 2.406 290 N HA 0.123 4.863 4.740 -0.000 0.000 0.251 290 N C -0.190 175.294 175.510 -0.044 0.000 1.069 290 N CA 0.051 53.063 53.050 -0.064 0.000 0.947 290 N CB 1.086 39.554 38.487 -0.032 0.000 1.111 290 N HN 0.595 nan 8.380 nan 0.000 0.497 291 T N 0.713 115.300 114.554 0.055 0.000 3.783 291 T HA 0.389 4.739 4.350 -0.000 0.000 0.262 291 T C 0.347 175.177 174.700 0.215 0.000 1.381 291 T CA -0.677 61.545 62.100 0.203 0.000 1.155 291 T CB -0.494 68.529 68.868 0.257 0.000 1.256 291 T HN 0.696 nan 8.240 nan 0.000 0.807 292 R N -1.440 119.161 120.500 0.167 0.000 3.012 292 R HA 0.557 4.897 4.340 -0.000 0.000 0.287 292 R C -1.610 174.756 176.300 0.110 0.000 0.990 292 R CA -1.151 55.026 56.100 0.129 0.000 0.839 292 R CB 0.498 30.887 30.300 0.148 0.000 1.317 292 R HN 0.063 nan 8.270 nan 0.000 0.518 293 V N 0.721 120.702 119.914 0.113 0.000 3.051 293 V HA 0.162 4.282 4.120 -0.000 0.000 0.306 293 V C -0.308 175.884 176.094 0.164 0.000 1.083 293 V CA 0.389 62.750 62.300 0.101 0.000 1.104 293 V CB 1.421 33.266 31.823 0.036 0.000 1.027 293 V HN 0.672 nan 8.190 nan 0.000 0.483 294 Q N 2.150 122.045 119.800 0.158 0.000 2.351 294 Q HA 0.385 4.725 4.340 -0.000 0.000 0.273 294 Q C 0.764 176.840 176.000 0.126 0.000 1.077 294 Q CA -0.824 55.034 55.803 0.092 0.000 0.843 294 Q CB 2.036 30.802 28.738 0.046 0.000 1.367 294 Q HN 0.596 nan 8.270 nan 0.000 0.449 295 V N 1.106 120.861 119.914 -0.265 0.000 2.324 295 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 295 V C 1.724 177.765 176.094 -0.089 0.000 1.060 295 V CA 2.313 64.421 62.300 -0.319 0.000 1.042 295 V CB -0.541 30.973 31.823 -0.515 0.000 0.650 295 V HN 0.834 nan 8.190 nan 0.000 0.450 296 E N 0.989 121.146 120.200 -0.073 0.000 2.403 296 E HA -0.132 4.218 4.350 -0.000 0.000 0.187 296 E C 1.671 178.240 176.600 -0.052 0.000 1.073 296 E CA 0.287 56.642 56.400 -0.075 0.000 0.888 296 E CB -0.765 28.909 29.700 -0.042 0.000 1.035 296 E HN 0.904 nan 8.360 nan 0.000 0.471 297 H N 0.919 119.994 119.070 0.009 0.000 2.390 297 H HA 0.005 4.561 4.556 -0.000 0.000 0.298 297 H C -0.969 174.362 175.328 0.006 0.000 1.106 297 H CA 1.038 57.098 56.048 0.020 0.000 1.297 297 H CB -1.766 28.019 29.762 0.038 0.000 1.375 297 H HN 0.164 nan 8.280 nan 0.000 0.509 298 P HA -0.151 nan 4.420 nan 0.000 0.217 298 P C 2.265 179.493 177.300 -0.120 0.000 1.148 298 P CA 1.947 64.891 63.100 -0.261 0.000 0.828 298 P CB -0.274 31.249 31.700 -0.295 0.000 0.783 299 V N -3.691 116.170 119.914 -0.089 0.000 2.427 299 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 299 V C 2.068 178.129 176.094 -0.054 0.000 1.051 299 V CA 2.223 64.491 62.300 -0.053 0.000 1.048 299 V CB -1.749 30.063 31.823 -0.018 0.000 0.666 299 V HN 0.008 nan 8.190 nan 0.000 0.456 300 S N 0.104 115.791 115.700 -0.022 0.000 2.402 300 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 300 S C 1.887 176.466 174.600 -0.036 0.000 1.021 300 S CA 1.573 59.766 58.200 -0.011 0.000 0.974 300 S CB -0.317 62.904 63.200 0.034 0.000 0.800 300 S HN 0.770 nan 8.310 nan 0.000 0.484 301 E N 0.782 120.962 120.200 -0.032 0.000 2.077 301 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 301 E C 1.959 178.468 176.600 -0.151 0.000 0.989 301 E CA 1.003 57.372 56.400 -0.051 0.000 0.800 301 E CB -0.167 29.529 29.700 -0.007 0.000 0.746 301 E HN 0.357 nan 8.360 nan 0.000 0.452 302 M N 0.580 120.042 119.600 -0.231 0.000 2.086 302 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 302 M C 2.628 178.532 176.300 -0.660 0.000 1.067 302 M CA 1.235 56.225 55.300 -0.517 0.000 1.116 302 M CB -1.167 31.119 32.600 -0.524 0.000 1.348 302 M HN 0.155 nan 8.290 nan 0.000 0.407 303 V N -2.408 117.323 119.914 -0.304 0.000 3.306 303 V HA 0.007 4.127 4.120 -0.000 0.000 0.264 303 V C 1.820 177.886 176.094 -0.046 0.000 1.149 303 V CA 1.598 63.842 62.300 -0.093 0.000 1.143 303 V CB -1.421 30.415 31.823 0.022 0.000 0.767 303 V HN 0.570 nan 8.190 nan 0.000 0.476 304 T N -4.276 110.229 114.554 -0.082 0.000 2.969 304 T HA 0.426 4.776 4.350 -0.000 0.000 0.250 304 T C 1.797 176.466 174.700 -0.053 0.000 1.021 304 T CA 0.948 63.019 62.100 -0.048 0.000 1.003 304 T CB 0.447 69.288 68.868 -0.046 0.000 1.040 304 T HN 1.477 nan 8.240 nan 0.000 0.492 305 G N 1.103 109.853 108.800 -0.084 0.000 2.162 305 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 305 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 305 G C 0.055 174.928 174.900 -0.045 0.000 0.976 305 G CA 0.139 45.201 45.100 -0.064 0.000 0.655 305 G HN 0.752 nan 8.290 nan 0.000 0.533 306 V N 1.376 121.265 119.914 -0.042 0.000 2.439 306 V HA 0.453 4.573 4.120 -0.000 0.000 0.282 306 V C 0.077 176.164 176.094 -0.012 0.000 1.039 306 V CA -0.715 61.569 62.300 -0.027 0.000 0.913 306 V CB 1.862 33.667 31.823 -0.030 0.000 0.983 306 V HN 0.334 nan 8.190 nan 0.000 0.460 307 D N 4.272 124.669 120.400 -0.005 0.000 2.380 307 D HA 0.266 4.906 4.640 -0.000 0.000 0.230 307 D C 0.940 177.247 176.300 0.012 0.000 1.154 307 D CA -0.102 53.905 54.000 0.012 0.000 0.859 307 D CB 1.246 42.051 40.800 0.007 0.000 1.045 307 D HN 0.456 nan 8.370 nan 0.000 0.495 308 I N 3.070 123.656 120.570 0.028 0.000 2.252 308 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 308 I C 2.251 178.348 176.117 -0.032 0.000 1.102 308 I CA 0.529 61.830 61.300 0.001 0.000 1.385 308 I CB 0.205 38.213 38.000 0.015 0.000 1.064 308 I HN 0.316 nan 8.210 nan 0.000 0.414 309 V N 0.802 120.682 119.914 -0.055 0.000 2.515 309 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 309 V C 2.331 178.424 176.094 -0.002 0.000 1.058 309 V CA 1.648 63.920 62.300 -0.046 0.000 1.064 309 V CB -0.659 31.110 31.823 -0.089 0.000 0.675 309 V HN 0.375 nan 8.190 nan 0.000 0.461 310 K N -0.346 120.052 120.400 -0.004 0.000 2.097 310 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 310 K C 2.218 178.813 176.600 -0.007 0.000 1.050 310 K CA 1.095 57.381 56.287 -0.002 0.000 0.938 310 K CB -0.128 32.371 32.500 -0.002 0.000 0.718 310 K HN 0.363 nan 8.250 nan 0.000 0.442 311 E N 0.802 120.996 120.200 -0.010 0.000 2.106 311 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 311 E C 1.963 178.549 176.600 -0.024 0.000 0.984 311 E CA 1.162 57.553 56.400 -0.015 0.000 0.806 311 E CB -0.142 29.552 29.700 -0.011 0.000 0.750 311 E HN 0.352 nan 8.360 nan 0.000 0.458 312 M N 0.154 119.737 119.600 -0.028 0.000 2.082 312 M HA -0.193 4.287 4.480 -0.000 0.000 0.258 312 M C 2.369 178.620 176.300 -0.081 0.000 1.069 312 M CA 1.451 56.712 55.300 -0.064 0.000 1.102 312 M CB -0.393 32.169 32.600 -0.065 0.000 1.336 312 M HN 0.060 nan 8.290 nan 0.000 0.404 313 L N -0.915 120.284 121.223 -0.039 0.000 2.109 313 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 313 L C 2.596 179.445 176.870 -0.034 0.000 1.086 313 L CA 1.123 55.944 54.840 -0.033 0.000 0.760 313 L CB -0.528 41.535 42.059 0.005 0.000 0.910 313 L HN 0.233 nan 8.230 nan 0.000 0.437 314 R N 0.088 120.572 120.500 -0.027 0.000 2.081 314 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 314 R C 2.296 178.577 176.300 -0.031 0.000 1.131 314 R CA 1.423 57.509 56.100 -0.024 0.000 0.960 314 R CB -0.372 29.918 30.300 -0.018 0.000 0.856 314 R HN 0.310 nan 8.270 nan 0.000 0.436 315 I N 0.336 120.881 120.570 -0.041 0.000 2.252 315 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 315 I C 2.457 178.537 176.117 -0.061 0.000 1.102 315 I CA 1.169 62.441 61.300 -0.047 0.000 1.385 315 I CB -0.303 37.666 38.000 -0.052 0.000 1.064 315 I HN 0.188 nan 8.210 nan 0.000 0.414 316 A N 0.255 123.025 122.820 -0.083 0.000 2.067 316 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 316 A C 2.290 179.842 177.584 -0.054 0.000 1.158 316 A CA 1.693 53.675 52.037 -0.092 0.000 0.661 316 A CB -0.607 18.307 19.000 -0.143 0.000 0.801 316 A HN 0.518 nan 8.150 nan 0.000 0.452 317 S N -2.077 113.599 115.700 -0.040 0.000 2.593 317 S HA 0.388 4.858 4.470 -0.000 0.000 0.217 317 S C 1.323 175.910 174.600 -0.021 0.000 0.966 317 S CA 1.014 59.200 58.200 -0.024 0.000 0.914 317 S CB -0.242 62.948 63.200 -0.017 0.000 0.776 317 S HN 1.823 nan 8.310 nan 0.000 0.523 318 G N 0.504 109.289 108.800 -0.026 0.000 2.176 318 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.232 318 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.232 318 G C -0.293 174.596 174.900 -0.018 0.000 0.986 318 G CA -0.098 44.989 45.100 -0.021 0.000 0.643 318 G HN 0.602 nan 8.290 nan 0.000 0.522 319 E N 1.267 121.456 120.200 -0.019 0.000 2.360 319 E HA 0.379 4.729 4.350 -0.000 0.000 0.269 319 E C 0.453 177.044 176.600 -0.015 0.000 1.022 319 E CA -0.114 56.277 56.400 -0.016 0.000 0.887 319 E CB 0.799 30.491 29.700 -0.015 0.000 0.990 319 E HN 0.333 nan 8.360 nan 0.000 0.426 320 K N 1.962 122.355 120.400 -0.012 0.000 2.219 320 K HA 0.172 4.492 4.320 -0.000 0.000 0.258 320 K C 0.073 176.667 176.600 -0.010 0.000 1.008 320 K CA -0.402 55.879 56.287 -0.010 0.000 0.928 320 K CB 0.491 32.986 32.500 -0.008 0.000 0.983 320 K HN 0.340 nan 8.250 nan 0.000 0.484 321 L N 2.210 123.428 121.223 -0.009 0.000 2.559 321 L HA -0.100 4.240 4.340 -0.000 0.000 0.274 321 L C 1.542 178.403 176.870 -0.014 0.000 1.205 321 L CA 0.109 54.942 54.840 -0.012 0.000 0.907 321 L CB 0.440 42.492 42.059 -0.011 0.000 1.153 321 L HN 0.828 nan 8.230 nan 0.000 0.490 322 S N 2.746 118.436 115.700 -0.016 0.000 2.503 322 S HA 0.182 4.652 4.470 -0.000 0.000 0.217 322 S C 0.530 175.117 174.600 -0.021 0.000 0.999 322 S CA -0.196 57.994 58.200 -0.016 0.000 0.914 322 S CB -0.045 63.147 63.200 -0.014 0.000 0.782 322 S HN 0.459 nan 8.310 nan 0.000 0.520 323 I N 2.693 123.247 120.570 -0.027 0.000 2.325 323 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 323 I C 0.426 176.516 176.117 -0.045 0.000 1.019 323 I CA -0.641 60.636 61.300 -0.037 0.000 1.302 323 I CB 1.077 39.050 38.000 -0.044 0.000 1.401 323 I HN -0.005 nan 8.210 nan 0.000 0.485 324 R N 3.322 123.795 120.500 -0.045 0.000 2.546 324 R HA 0.205 4.545 4.340 -0.000 0.000 0.266 324 R C 0.850 177.101 176.300 -0.082 0.000 1.086 324 R CA -0.570 55.499 56.100 -0.052 0.000 1.160 324 R CB 0.428 30.705 30.300 -0.038 0.000 1.138 324 R HN 0.436 nan 8.270 nan 0.000 0.567 325 Q N 1.134 120.876 119.800 -0.096 0.000 2.124 325 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 325 Q C 1.000 176.933 176.000 -0.112 0.000 0.977 325 Q CA 1.809 57.521 55.803 -0.152 0.000 0.850 325 Q CB 0.128 28.780 28.738 -0.144 0.000 0.901 325 Q HN 0.611 nan 8.270 nan 0.000 0.429 326 E N -0.038 120.124 120.200 -0.062 0.000 2.160 326 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 326 E C 1.037 177.614 176.600 -0.038 0.000 0.991 326 E CA 1.214 57.591 56.400 -0.037 0.000 0.810 326 E CB -0.036 29.650 29.700 -0.023 0.000 0.742 326 E HN 0.464 nan 8.360 nan 0.000 0.466 327 D N 0.224 120.595 120.400 -0.048 0.000 2.355 327 D HA -0.022 4.618 4.640 -0.000 0.000 0.218 327 D C -0.006 176.264 176.300 -0.051 0.000 1.004 327 D CA 0.378 54.353 54.000 -0.040 0.000 0.880 327 D CB 0.390 41.167 40.800 -0.038 0.000 0.911 327 D HN -0.022 nan 8.370 nan 0.000 0.528 328 V N 2.053 121.918 119.914 -0.082 0.000 2.334 328 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 328 V C 0.126 176.183 176.094 -0.061 0.000 1.040 328 V CA -0.446 61.796 62.300 -0.098 0.000 0.866 328 V CB 1.602 33.309 31.823 -0.192 0.000 1.019 328 V HN -0.215 nan 8.190 nan 0.000 0.468 329 V N 6.148 126.049 119.914 -0.023 0.000 2.483 329 V HA 0.437 4.557 4.120 -0.000 0.000 0.297 329 V C -0.062 176.049 176.094 0.029 0.000 1.027 329 V CA -0.691 61.617 62.300 0.012 0.000 0.855 329 V CB 1.982 33.817 31.823 0.019 0.000 0.995 329 V HN 0.568 nan 8.190 nan 0.000 0.424 330 I N 5.355 125.955 120.570 0.051 0.000 2.505 330 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 330 I C 0.567 176.733 176.117 0.083 0.000 1.104 330 I CA 0.467 61.806 61.300 0.065 0.000 1.387 330 I CB -0.040 38.011 38.000 0.085 0.000 1.404 330 I HN 0.566 nan 8.210 nan 0.000 0.528 331 R N 3.777 124.342 120.500 0.109 0.000 2.532 331 R HA 0.593 4.933 4.340 -0.000 0.000 0.297 331 R C 0.372 176.807 176.300 0.226 0.000 0.984 331 R CA -0.340 55.843 56.100 0.139 0.000 0.884 331 R CB 2.207 32.586 30.300 0.132 0.000 1.182 331 R HN 0.892 nan 8.270 nan 0.000 0.442 332 G N 1.531 110.420 108.800 0.147 0.000 2.598 332 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 332 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 332 G C -1.026 174.010 174.900 0.228 0.000 1.302 332 G CA -0.048 45.118 45.100 0.110 0.000 0.903 332 G HN 0.749 nan 8.290 nan 0.000 0.575 333 H N -0.914 118.235 119.070 0.132 0.000 3.046 333 H HA 0.688 5.244 4.556 -0.000 0.000 0.363 333 H C -0.105 175.360 175.328 0.228 0.000 1.203 333 H CA 0.413 56.545 56.048 0.142 0.000 1.169 333 H CB 1.570 31.355 29.762 0.038 0.000 1.851 333 H HN 1.514 nan 8.280 nan 0.000 0.546 334 A N 4.049 126.983 122.820 0.190 0.000 2.498 334 A HA 0.704 5.024 4.320 -0.000 0.000 0.298 334 A C -1.790 175.906 177.584 0.186 0.000 1.075 334 A CA -0.647 51.527 52.037 0.228 0.000 0.714 334 A CB 1.464 20.543 19.000 0.131 0.000 1.299 334 A HN 0.570 nan 8.150 nan 0.000 0.407 335 L N 0.718 122.042 121.223 0.168 0.000 2.401 335 L HA 0.647 4.987 4.340 -0.000 0.000 0.266 335 L C -0.575 176.346 176.870 0.085 0.000 0.991 335 L CA -0.381 54.551 54.840 0.154 0.000 0.818 335 L CB 2.307 44.469 42.059 0.172 0.000 1.321 335 L HN 0.953 nan 8.230 nan 0.000 0.413 336 E N 2.123 122.360 120.200 0.062 0.000 2.256 336 E HA 0.404 4.754 4.350 -0.000 0.000 0.268 336 E C -1.855 174.723 176.600 -0.037 0.000 0.877 336 E CA -0.580 55.819 56.400 -0.002 0.000 0.757 336 E CB 2.067 31.752 29.700 -0.025 0.000 1.183 336 E HN 0.573 nan 8.360 nan 0.000 0.418 337 C N 4.411 123.628 119.300 -0.138 0.000 2.298 337 C HA 0.465 4.925 4.460 -0.000 0.000 0.323 337 C C 0.065 174.891 174.990 -0.273 0.000 1.284 337 C CA -0.722 58.072 59.018 -0.374 0.000 1.577 337 C CB 0.142 27.416 27.740 -0.777 0.000 2.249 337 C HN 0.665 nan 8.230 nan 0.000 0.497 338 R N 3.367 123.812 120.500 -0.091 0.000 2.296 338 R HA 0.321 4.661 4.340 -0.000 0.000 0.323 338 R C -0.389 175.987 176.300 0.127 0.000 1.067 338 R CA -0.098 56.018 56.100 0.027 0.000 0.946 338 R CB 0.346 30.685 30.300 0.066 0.000 0.991 338 R HN 0.561 nan 8.270 nan 0.000 0.448 339 I N 3.656 124.266 120.570 0.067 0.000 2.312 339 I HA 0.154 4.324 4.170 -0.000 0.000 0.291 339 I C 0.059 176.238 176.117 0.105 0.000 1.031 339 I CA -0.361 61.006 61.300 0.111 0.000 1.293 339 I CB 0.541 38.582 38.000 0.069 0.000 1.403 339 I HN 0.546 nan 8.210 nan 0.000 0.484 340 N N 3.785 122.561 118.700 0.127 0.000 2.361 340 N HA 0.565 5.305 4.740 -0.000 0.000 0.302 340 N C -0.202 175.361 175.510 0.088 0.000 1.074 340 N CA -0.628 52.484 53.050 0.103 0.000 0.850 340 N CB 2.030 40.582 38.487 0.109 0.000 1.228 340 N HN 0.701 nan 8.380 nan 0.000 0.491 341 A N 2.361 125.226 122.820 0.076 0.000 2.805 341 A HA 0.200 4.520 4.320 -0.000 0.000 0.301 341 A C -0.266 177.353 177.584 0.059 0.000 1.557 341 A CA 0.118 52.190 52.037 0.059 0.000 1.254 341 A CB -0.732 18.300 19.000 0.055 0.000 1.114 341 A HN 0.787 nan 8.150 nan 0.000 0.553 342 E N 1.354 121.587 120.200 0.055 0.000 2.390 342 E HA 0.218 4.568 4.350 -0.000 0.000 0.280 342 E C -1.676 174.924 176.600 -0.001 0.000 0.992 342 E CA -0.984 55.447 56.400 0.051 0.000 0.790 342 E CB 0.785 30.555 29.700 0.116 0.000 1.248 342 E HN 0.258 nan 8.360 nan 0.000 0.447 343 D N 2.934 123.303 120.400 -0.051 0.000 2.401 343 D HA 0.042 4.682 4.640 -0.000 0.000 0.254 343 D C -1.243 174.877 176.300 -0.301 0.000 1.192 343 D CA -1.641 52.277 54.000 -0.136 0.000 0.885 343 D CB 1.238 41.956 40.800 -0.138 0.000 1.147 343 D HN 0.230 nan 8.370 nan 0.000 0.478 344 P HA -0.074 nan 4.420 nan 0.000 0.234 344 P C 0.556 177.477 177.300 -0.631 0.000 1.167 344 P CA 0.852 63.750 63.100 -0.336 0.000 0.763 344 P CB 0.507 32.115 31.700 -0.153 0.000 0.835 345 K N -1.287 118.727 120.400 -0.644 0.000 2.344 345 K HA 0.127 4.447 4.320 -0.000 0.000 0.200 345 K C 1.839 177.961 176.600 -0.798 0.000 1.132 345 K CA 0.881 56.782 56.287 -0.643 0.000 0.935 345 K CB -0.180 32.150 32.500 -0.285 0.000 1.089 345 K HN -0.022 nan 8.250 nan 0.000 0.496 346 T N 0.511 114.730 114.554 -0.559 0.000 3.014 346 T HA 0.026 4.376 4.350 -0.000 0.000 0.263 346 T C 0.032 174.654 174.700 -0.130 0.000 1.078 346 T CA 0.417 62.358 62.100 -0.264 0.000 1.135 346 T CB -0.120 68.668 68.868 -0.135 0.000 0.895 346 T HN 0.177 nan 8.240 nan 0.000 0.480 347 F N -0.649 119.288 119.950 -0.021 0.000 3.034 347 F HA -0.157 4.370 4.527 -0.000 0.000 0.286 347 F C 0.224 176.017 175.800 -0.011 0.000 0.804 347 F CA -0.340 57.648 58.000 -0.020 0.000 1.161 347 F CB -2.199 36.785 39.000 -0.026 0.000 1.317 347 F HN 0.182 nan 8.300 nan 0.000 0.453 348 M N 1.540 121.185 119.600 0.074 0.000 2.188 348 M HA 0.274 4.754 4.480 -0.000 0.000 0.354 348 M C -1.732 174.596 176.300 0.046 0.000 1.342 348 M CA -2.247 53.084 55.300 0.052 0.000 1.117 348 M CB -0.091 32.518 32.600 0.015 0.000 1.670 348 M HN -0.263 nan 8.290 nan 0.000 0.466 349 P HA -0.038 nan 4.420 nan 0.000 0.264 349 P C -0.352 176.963 177.300 0.025 0.000 1.179 349 P CA 0.197 63.324 63.100 0.045 0.000 0.763 349 P CB 0.482 32.207 31.700 0.040 0.000 0.806 350 S N 3.263 118.977 115.700 0.024 0.000 2.130 350 S HA 0.375 4.845 4.470 -0.000 0.000 0.165 350 S C -2.407 172.196 174.600 0.005 0.000 1.677 350 S CA -1.733 56.473 58.200 0.009 0.000 1.227 350 S CB -0.252 62.951 63.200 0.005 0.000 1.115 350 S HN 0.198 nan 8.310 nan 0.000 0.452 351 P HA 0.627 nan 4.420 nan 0.000 0.272 351 P C 0.394 177.673 177.300 -0.035 0.000 1.240 351 P CA 0.245 63.335 63.100 -0.017 0.000 0.791 351 P CB 0.854 32.542 31.700 -0.020 0.000 0.978 352 G N -0.473 108.288 108.800 -0.065 0.000 2.368 352 G HA2 0.099 4.059 3.960 -0.000 0.000 0.302 352 G HA3 0.099 4.059 3.960 -0.000 0.000 0.302 352 G C -1.690 173.146 174.900 -0.106 0.000 1.329 352 G CA -0.865 44.193 45.100 -0.070 0.000 0.935 352 G HN 0.642 nan 8.290 nan 0.000 0.590 353 K N 0.116 120.466 120.400 -0.084 0.000 2.258 353 K HA 0.558 4.878 4.320 -0.000 0.000 0.284 353 K C 0.040 176.608 176.600 -0.054 0.000 1.051 353 K CA -0.529 55.701 56.287 -0.095 0.000 0.923 353 K CB 1.156 33.619 32.500 -0.061 0.000 1.046 353 K HN 0.348 nan 8.250 nan 0.000 0.474 354 V N 6.729 126.606 119.914 -0.062 0.000 2.387 354 V HA 0.035 4.155 4.120 -0.000 0.000 0.260 354 V C 0.828 176.952 176.094 0.049 0.000 1.054 354 V CA 0.021 62.323 62.300 0.004 0.000 0.967 354 V CB 0.676 32.499 31.823 0.001 0.000 1.036 354 V HN 0.859 nan 8.190 nan 0.000 0.481 355 K N 2.512 122.960 120.400 0.079 0.000 2.103 355 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 355 K C 0.760 177.481 176.600 0.202 0.000 1.052 355 K CA 0.979 57.330 56.287 0.107 0.000 0.945 355 K CB 0.152 32.704 32.500 0.088 0.000 0.722 355 K HN 0.768 nan 8.250 nan 0.000 0.443 356 H N -1.161 117.969 119.070 0.101 0.000 3.017 356 H HA 0.207 4.763 4.556 -0.000 0.000 0.340 356 H C -1.978 173.482 175.328 0.219 0.000 1.014 356 H CA -0.860 55.270 56.048 0.137 0.000 1.341 356 H CB 1.079 30.896 29.762 0.092 0.000 1.739 356 H HN -0.027 nan 8.280 nan 0.000 0.506 357 F N 5.570 125.559 119.950 0.065 0.000 2.449 357 F HA 0.320 4.847 4.527 -0.000 0.000 0.342 357 F C -1.362 174.384 175.800 -0.091 0.000 1.127 357 F CA -0.649 57.314 58.000 -0.061 0.000 0.975 357 F CB 0.992 40.002 39.000 0.017 0.000 1.146 357 F HN 0.655 nan 8.300 nan 0.000 0.444 358 H N 4.514 123.082 119.070 -0.837 0.000 2.609 358 H HA 0.705 5.261 4.556 -0.000 0.000 0.344 358 H C -1.246 173.595 175.328 -0.812 0.000 1.040 358 H CA -0.476 55.129 56.048 -0.739 0.000 1.216 358 H CB 1.677 31.174 29.762 -0.442 0.000 1.529 358 H HN 0.827 nan 8.280 nan 0.000 0.519 359 A N 6.012 128.171 122.820 -1.102 0.000 2.306 359 A HA 0.503 4.823 4.320 -0.000 0.000 0.314 359 A C -2.424 174.942 177.584 -0.362 0.000 1.164 359 A CA -1.623 50.031 52.037 -0.639 0.000 0.822 359 A CB 0.206 18.922 19.000 -0.474 0.000 1.130 359 A HN 0.638 nan 8.150 nan 0.000 0.496 360 P HA 0.463 nan 4.420 nan 0.000 0.274 360 P C 0.175 177.442 177.300 -0.056 0.000 1.237 360 P CA 0.188 63.258 63.100 -0.050 0.000 0.793 360 P CB 1.417 33.108 31.700 -0.014 0.000 0.977 361 G N -1.435 107.355 108.800 -0.018 0.000 2.870 361 G HA2 0.703 4.663 3.960 -0.000 0.000 0.299 361 G HA3 0.703 4.663 3.960 -0.000 0.000 0.299 361 G C -0.431 174.475 174.900 0.009 0.000 1.324 361 G CA -0.354 44.739 45.100 -0.011 0.000 0.808 361 G HN 0.814 nan 8.290 nan 0.000 0.535 362 G N -0.611 108.196 108.800 0.012 0.000 2.631 362 G HA2 0.132 4.092 3.960 -0.000 0.000 0.504 362 G HA3 0.132 4.092 3.960 -0.000 0.000 0.504 362 G C -0.445 174.469 174.900 0.023 0.000 1.306 362 G CA -0.021 45.090 45.100 0.018 0.000 0.897 362 G HN 1.259 nan 8.290 nan 0.000 0.520 363 N N 1.220 119.934 118.700 0.023 0.000 2.468 363 N HA 0.499 5.239 4.740 -0.000 0.000 0.265 363 N C 1.450 176.985 175.510 0.041 0.000 1.199 363 N CA 1.989 55.057 53.050 0.030 0.000 0.928 363 N CB 0.405 38.903 38.487 0.019 0.000 1.059 363 N HN 2.276 nan 8.380 nan 0.000 0.467 364 G N 1.717 110.559 108.800 0.070 0.000 2.143 364 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.248 364 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.248 364 G C -0.439 174.519 174.900 0.097 0.000 0.991 364 G CA 0.410 45.577 45.100 0.111 0.000 0.689 364 G HN 0.548 nan 8.290 nan 0.000 0.522 365 V N 0.762 120.714 119.914 0.063 0.000 2.409 365 V HA 0.705 4.825 4.120 -0.000 0.000 0.291 365 V C 0.467 176.581 176.094 0.034 0.000 1.020 365 V CA -0.650 61.676 62.300 0.044 0.000 0.848 365 V CB 1.646 33.485 31.823 0.026 0.000 0.990 365 V HN 0.527 nan 8.190 nan 0.000 0.430 366 R N 3.808 124.325 120.500 0.029 0.000 2.599 366 R HA 0.836 5.176 4.340 -0.000 0.000 0.295 366 R C -2.046 174.260 176.300 0.010 0.000 0.963 366 R CA -0.455 55.654 56.100 0.015 0.000 0.883 366 R CB 2.237 32.540 30.300 0.006 0.000 1.171 366 R HN 0.482 nan 8.270 nan 0.000 0.450 367 V N 3.591 123.514 119.914 0.015 0.000 2.483 367 V HA 0.287 4.407 4.120 -0.000 0.000 0.297 367 V C -1.285 174.833 176.094 0.040 0.000 1.027 367 V CA -0.802 61.516 62.300 0.031 0.000 0.855 367 V CB 1.878 33.728 31.823 0.045 0.000 0.995 367 V HN 0.786 nan 8.190 nan 0.000 0.424 368 D N 3.035 123.455 120.400 0.034 0.000 2.472 368 D HA 0.643 5.282 4.640 -0.000 0.000 0.234 368 D C -0.367 175.967 176.300 0.057 0.000 1.088 368 D CA 0.327 54.351 54.000 0.039 0.000 0.882 368 D CB 1.662 42.472 40.800 0.016 0.000 1.037 368 D HN 0.524 nan 8.370 nan 0.000 0.520 369 S N 0.970 116.708 115.700 0.063 0.000 2.547 369 S HA 0.201 4.671 4.470 -0.000 0.000 0.270 369 S C -0.035 174.562 174.600 -0.005 0.000 1.150 369 S CA -0.741 57.470 58.200 0.018 0.000 0.850 369 S CB 0.739 63.908 63.200 -0.052 0.000 1.118 369 S HN 0.520 nan 8.310 nan 0.000 0.461 370 H N 3.398 122.376 119.070 -0.154 0.000 2.551 370 H HA 0.391 4.947 4.556 -0.000 0.000 0.271 370 H C 0.401 175.529 175.328 -0.333 0.000 0.984 370 H CA -0.354 55.581 56.048 -0.188 0.000 1.164 370 H CB -0.449 29.199 29.762 -0.190 0.000 1.437 370 H HN 0.351 nan 8.280 nan 0.000 0.550 371 L N 2.191 122.929 121.223 -0.810 0.000 2.514 371 L HA 0.047 4.387 4.340 -0.000 0.000 0.280 371 L C -0.240 176.248 176.870 -0.637 0.000 1.223 371 L CA 0.182 54.439 54.840 -0.970 0.000 0.864 371 L CB 0.119 41.300 42.059 -1.462 0.000 1.118 371 L HN 0.322 nan 8.230 nan 0.000 0.494 372 Y N -0.561 119.510 120.300 -0.381 0.000 2.656 372 Y HA 0.447 4.997 4.550 0.000 0.000 0.334 372 Y C -0.591 175.398 175.900 0.149 0.000 1.179 372 Y CA -1.396 56.706 58.100 0.004 0.000 1.050 372 Y CB 0.812 39.288 38.460 0.028 0.000 1.308 372 Y HN 0.324 nan 8.280 nan 0.000 0.456 373 S N 1.178 117.100 115.700 0.370 0.000 2.510 373 S HA 0.440 4.909 4.470 -0.000 0.000 0.279 373 S C 0.988 175.717 174.600 0.214 0.000 1.284 373 S CA 0.714 59.076 58.200 0.270 0.000 1.059 373 S CB 0.265 63.657 63.200 0.320 0.000 0.901 373 S HN 1.741 nan 8.310 nan 0.000 0.491 374 G N 2.183 111.034 108.800 0.084 0.000 2.238 374 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 374 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 374 G C -0.114 174.749 174.900 -0.062 0.000 0.996 374 G CA -0.271 44.869 45.100 0.065 0.000 0.632 374 G HN 0.703 nan 8.290 nan 0.000 0.503 375 Y N 2.812 122.817 120.300 -0.491 0.000 2.359 375 Y HA 0.611 5.161 4.550 0.000 0.000 0.330 375 Y C 0.292 176.025 175.900 -0.277 0.000 1.143 375 Y CA 0.037 57.768 58.100 -0.615 0.000 1.318 375 Y CB 1.149 38.897 38.460 -1.186 0.000 1.234 375 Y HN 0.113 nan 8.280 nan 0.000 0.522 376 S N 4.684 119.826 115.700 -0.930 0.000 2.451 376 S HA 0.486 4.956 4.470 -0.000 0.000 0.301 376 S C -1.059 172.913 174.600 -1.047 0.000 1.116 376 S CA -0.859 56.913 58.200 -0.712 0.000 1.093 376 S CB 1.250 64.234 63.200 -0.360 0.000 1.017 376 S HN 0.516 nan 8.310 nan 0.000 0.482 377 V N 6.252 125.850 119.914 -0.527 0.000 2.432 377 V HA 0.300 4.420 4.120 -0.000 0.000 0.271 377 V C -1.846 174.185 176.094 -0.104 0.000 1.046 377 V CA -1.691 60.472 62.300 -0.228 0.000 0.945 377 V CB 0.533 32.342 31.823 -0.024 0.000 0.992 377 V HN 0.671 nan 8.190 nan 0.000 0.471 378 P HA 0.273 nan 4.420 nan 0.000 0.277 378 P C -2.190 175.119 177.300 0.015 0.000 1.240 378 P CA -1.798 61.315 63.100 0.022 0.000 0.798 378 P CB 0.833 32.611 31.700 0.131 0.000 0.979 379 P HA -0.046 nan 4.420 nan 0.000 0.233 379 P C 0.786 178.015 177.300 -0.119 0.000 1.167 379 P CA 0.889 63.958 63.100 -0.052 0.000 0.770 379 P CB 0.090 31.758 31.700 -0.053 0.000 0.837 380 N N -0.896 117.629 118.700 -0.291 0.000 2.331 380 N HA -0.069 4.671 4.740 -0.000 0.000 0.180 380 N C 0.747 175.924 175.510 -0.554 0.000 1.019 380 N CA 1.007 53.715 53.050 -0.570 0.000 0.881 380 N CB -0.141 37.735 38.487 -1.017 0.000 0.972 380 N HN 0.336 nan 8.380 nan 0.000 0.435 381 Y N 0.825 121.194 120.300 0.114 0.000 3.012 381 Y HA 0.168 4.719 4.550 0.000 0.000 0.324 381 Y C 0.765 176.715 175.900 0.083 0.000 1.342 381 Y CA -1.469 56.706 58.100 0.125 0.000 1.076 381 Y CB -0.089 38.468 38.460 0.162 0.000 1.372 381 Y HN -0.129 nan 8.280 nan 0.000 0.688 382 D N -0.462 120.091 120.400 0.255 0.000 2.393 382 D HA 0.008 4.648 4.640 -0.000 0.000 0.246 382 D C 0.652 177.040 176.300 0.146 0.000 1.275 382 D CA 0.255 54.337 54.000 0.137 0.000 0.979 382 D CB 1.017 41.862 40.800 0.075 0.000 1.101 382 D HN 0.530 nan 8.370 nan 0.000 0.505 383 S N -1.107 114.659 115.700 0.109 0.000 2.540 383 S HA 0.061 4.531 4.470 -0.000 0.000 0.218 383 S C 0.920 175.589 174.600 0.115 0.000 0.977 383 S CA -0.640 57.626 58.200 0.109 0.000 0.918 383 S CB -0.300 62.953 63.200 0.089 0.000 0.806 383 S HN 0.390 nan 8.310 nan 0.000 0.496 384 L N 3.806 125.101 121.223 0.119 0.000 2.530 384 L HA 0.260 4.600 4.340 -0.000 0.000 0.273 384 L C 0.840 177.815 176.870 0.174 0.000 1.141 384 L CA 0.117 55.031 54.840 0.124 0.000 0.905 384 L CB 0.857 42.986 42.059 0.117 0.000 1.202 384 L HN 0.257 nan 8.230 nan 0.000 0.473 385 V N 2.148 122.122 119.914 0.101 0.000 3.605 385 V HA 0.775 4.895 4.120 -0.000 0.000 0.284 385 V C 0.664 176.681 176.094 -0.128 0.000 1.386 385 V CA 0.450 62.737 62.300 -0.022 0.000 1.053 385 V CB -0.351 31.420 31.823 -0.088 0.000 0.857 385 V HN 0.916 nan 8.190 nan 0.000 0.436 386 G N -0.092 108.709 108.800 0.002 0.000 2.387 386 G HA2 0.527 4.487 3.960 -0.000 0.000 0.294 386 G HA3 0.527 4.487 3.960 -0.000 0.000 0.294 386 G C -1.901 173.016 174.900 0.028 0.000 1.509 386 G CA -0.967 44.136 45.100 0.004 0.000 0.806 386 G HN 0.134 nan 8.290 nan 0.000 0.546 387 K N 0.329 120.743 120.400 0.023 0.000 2.545 387 K HA 0.580 4.900 4.320 -0.000 0.000 0.252 387 K C -0.660 175.934 176.600 -0.011 0.000 0.948 387 K CA -0.647 55.635 56.287 -0.007 0.000 0.827 387 K CB 2.727 35.217 32.500 -0.018 0.000 1.128 387 K HN 0.332 nan 8.250 nan 0.000 0.429 388 V N 5.215 125.108 119.914 -0.036 0.000 2.383 388 V HA 0.389 4.509 4.120 -0.000 0.000 0.275 388 V C -0.307 175.768 176.094 -0.031 0.000 1.036 388 V CA -0.624 61.660 62.300 -0.027 0.000 0.889 388 V CB 0.584 32.383 31.823 -0.040 0.000 0.985 388 V HN 0.570 nan 8.190 nan 0.000 0.459 389 I N 4.773 125.337 120.570 -0.009 0.000 2.465 389 I HA 0.583 4.753 4.170 -0.000 0.000 0.291 389 I C 0.357 176.497 176.117 0.039 0.000 1.014 389 I CA -0.012 61.291 61.300 0.004 0.000 1.093 389 I CB 2.348 40.337 38.000 -0.017 0.000 1.267 389 I HN 0.743 nan 8.210 nan 0.000 0.431 390 T N 2.199 116.796 114.554 0.072 0.000 2.924 390 T HA 0.674 5.024 4.350 -0.000 0.000 0.291 390 T C -1.098 173.721 174.700 0.199 0.000 1.045 390 T CA -0.835 61.331 62.100 0.111 0.000 1.015 390 T CB 1.733 70.651 68.868 0.084 0.000 1.103 390 T HN 0.511 nan 8.240 nan 0.000 0.496 391 Y N -0.105 120.214 120.300 0.033 0.000 2.421 391 Y HA 0.606 5.156 4.550 -0.000 0.000 0.339 391 Y C -0.343 175.582 175.900 0.041 0.000 0.996 391 Y CA -0.701 57.423 58.100 0.040 0.000 1.046 391 Y CB 1.737 40.213 38.460 0.025 0.000 1.226 391 Y HN 1.219 nan 8.280 nan 0.000 0.445 392 G N 1.501 110.082 108.800 -0.364 0.000 2.672 392 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 392 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 392 G C -0.096 174.546 174.900 -0.430 0.000 1.375 392 G CA -0.425 44.456 45.100 -0.365 0.000 0.890 392 G HN 0.924 nan 8.290 nan 0.000 0.476 393 A N -0.388 122.262 122.820 -0.284 0.000 2.024 393 A HA 0.230 4.550 4.320 -0.000 0.000 0.220 393 A C 1.029 178.558 177.584 -0.091 0.000 1.164 393 A CA 2.451 54.381 52.037 -0.180 0.000 0.643 393 A CB -0.568 18.363 19.000 -0.114 0.000 0.806 393 A HN 0.994 nan 8.150 nan 0.000 0.451 394 D N -4.638 115.715 120.400 -0.077 0.000 2.665 394 D HA 0.241 4.881 4.640 -0.000 0.000 0.287 394 D C 0.455 176.693 176.300 -0.104 0.000 1.266 394 D CA -0.601 53.371 54.000 -0.047 0.000 0.830 394 D CB 0.283 41.045 40.800 -0.062 0.000 1.356 394 D HN -0.093 nan 8.370 nan 0.000 0.437 395 R N -0.475 119.864 120.500 -0.269 0.000 2.091 395 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 395 R C 0.675 176.812 176.300 -0.271 0.000 1.136 395 R CA 2.008 57.784 56.100 -0.540 0.000 0.959 395 R CB -0.281 29.564 30.300 -0.759 0.000 0.856 395 R HN 0.439 nan 8.270 nan 0.000 0.437 396 D N -0.175 120.111 120.400 -0.189 0.000 2.178 396 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 396 D C 1.624 177.875 176.300 -0.083 0.000 0.980 396 D CA 1.165 55.090 54.000 -0.124 0.000 0.842 396 D CB -0.101 40.640 40.800 -0.098 0.000 0.948 396 D HN 0.468 nan 8.370 nan 0.000 0.472 397 E N 0.389 120.542 120.200 -0.079 0.000 2.107 397 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 397 E C 2.007 178.584 176.600 -0.038 0.000 0.982 397 E CA 0.795 57.159 56.400 -0.059 0.000 0.809 397 E CB 0.055 29.709 29.700 -0.076 0.000 0.756 397 E HN 0.141 nan 8.360 nan 0.000 0.459 398 A N 1.054 123.856 122.820 -0.030 0.000 1.908 398 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 398 A C 2.171 179.773 177.584 0.031 0.000 1.181 398 A CA 1.268 53.322 52.037 0.029 0.000 0.627 398 A CB -0.712 18.349 19.000 0.102 0.000 0.818 398 A HN 0.321 nan 8.150 nan 0.000 0.445 399 L N -0.912 120.308 121.223 -0.006 0.000 2.046 399 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 399 L C 3.107 179.991 176.870 0.023 0.000 1.077 399 L CA 1.110 55.959 54.840 0.014 0.000 0.747 399 L CB -0.478 41.563 42.059 -0.029 0.000 0.896 399 L HN 0.432 nan 8.230 nan 0.000 0.432 400 A N -0.057 122.764 122.820 0.001 0.000 1.933 400 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 400 A C 2.368 179.961 177.584 0.015 0.000 1.175 400 A CA 1.483 53.523 52.037 0.005 0.000 0.628 400 A CB -0.454 18.541 19.000 -0.008 0.000 0.814 400 A HN 0.322 nan 8.150 nan 0.000 0.444 401 R N -1.916 118.593 120.500 0.015 0.000 2.115 401 R HA -0.062 4.278 4.340 -0.000 0.000 0.230 401 R C 2.127 178.447 176.300 0.033 0.000 1.111 401 R CA 1.505 57.618 56.100 0.023 0.000 0.976 401 R CB -0.313 30.001 30.300 0.024 0.000 0.870 401 R HN 0.534 nan 8.270 nan 0.000 0.445 402 M N 0.818 120.444 119.600 0.043 0.000 2.132 402 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 402 M C 1.842 178.171 176.300 0.047 0.000 1.065 402 M CA 1.657 56.986 55.300 0.048 0.000 1.122 402 M CB -0.045 32.598 32.600 0.071 0.000 1.365 402 M HN -0.093 nan 8.290 nan 0.000 0.411 403 R N -0.242 120.288 120.500 0.050 0.000 2.096 403 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 403 R C 1.913 178.235 176.300 0.036 0.000 1.139 403 R CA 1.833 57.961 56.100 0.047 0.000 0.952 403 R CB -0.823 29.502 30.300 0.042 0.000 0.854 403 R HN 0.434 nan 8.270 nan 0.000 0.436 404 N N 0.368 119.085 118.700 0.029 0.000 2.120 404 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 404 N C 1.599 177.124 175.510 0.024 0.000 1.024 404 N CA 1.589 54.653 53.050 0.023 0.000 0.852 404 N CB -0.379 38.120 38.487 0.019 0.000 1.003 404 N HN 0.254 nan 8.380 nan 0.000 0.424 405 A N 0.745 123.580 122.820 0.024 0.000 1.898 405 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 405 A C 2.257 179.853 177.584 0.020 0.000 1.181 405 A CA 0.861 52.909 52.037 0.019 0.000 0.620 405 A CB -0.701 18.308 19.000 0.016 0.000 0.819 405 A HN 0.223 nan 8.150 nan 0.000 0.442 406 L N -0.441 120.798 121.223 0.026 0.000 2.141 406 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 406 L C 1.765 178.655 176.870 0.033 0.000 1.094 406 L CA 1.173 56.034 54.840 0.035 0.000 0.763 406 L CB -0.634 41.458 42.059 0.054 0.000 0.908 406 L HN 0.270 nan 8.230 nan 0.000 0.437 407 D N 0.155 120.573 120.400 0.029 0.000 2.218 407 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 407 D C 1.924 178.233 176.300 0.014 0.000 0.976 407 D CA 1.081 55.094 54.000 0.021 0.000 0.853 407 D CB 0.092 40.903 40.800 0.018 0.000 0.939 407 D HN 0.460 nan 8.370 nan 0.000 0.481 408 E N -0.455 119.757 120.200 0.020 0.000 2.415 408 E HA 0.033 4.383 4.350 -0.000 0.000 0.197 408 E C 0.405 177.028 176.600 0.038 0.000 1.007 408 E CA -0.382 56.036 56.400 0.031 0.000 0.890 408 E CB 0.466 30.200 29.700 0.057 0.000 0.891 408 E HN 0.050 nan 8.360 nan 0.000 0.496 409 L N 2.215 123.448 121.223 0.016 0.000 2.477 409 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 409 L C -0.685 176.180 176.870 -0.008 0.000 1.157 409 L CA 0.642 55.480 54.840 -0.003 0.000 0.889 409 L CB 0.189 42.264 42.059 0.026 0.000 1.158 409 L HN -0.054 nan 8.230 nan 0.000 0.473 410 I N 5.906 126.444 120.570 -0.055 0.000 2.418 410 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 410 I C -0.766 175.356 176.117 0.007 0.000 1.008 410 I CA -0.709 60.550 61.300 -0.069 0.000 1.104 410 I CB 1.804 39.678 38.000 -0.210 0.000 1.264 410 I HN 0.215 nan 8.210 nan 0.000 0.438 411 V N 4.005 123.963 119.914 0.074 0.000 2.313 411 V HA 0.189 4.309 4.120 -0.000 0.000 0.262 411 V C -0.455 175.686 176.094 0.079 0.000 1.011 411 V CA -0.529 61.852 62.300 0.134 0.000 0.858 411 V CB 0.873 32.779 31.823 0.138 0.000 1.104 411 V HN 0.654 nan 8.190 nan 0.000 0.456 412 D N 2.248 122.695 120.400 0.078 0.000 2.308 412 D HA 0.557 5.197 4.640 -0.000 0.000 0.251 412 D C 1.128 177.473 176.300 0.074 0.000 1.127 412 D CA 1.679 55.727 54.000 0.078 0.000 0.876 412 D CB 1.611 42.481 40.800 0.116 0.000 1.176 412 D HN 0.595 nan 8.370 nan 0.000 0.446 413 G N 2.698 111.526 108.800 0.047 0.000 2.428 413 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.199 413 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.199 413 G C 0.317 175.224 174.900 0.012 0.000 1.005 413 G CA 0.131 45.248 45.100 0.028 0.000 0.671 413 G HN 0.766 nan 8.290 nan 0.000 0.485 414 I N -1.894 118.685 120.570 0.015 0.000 2.934 414 I HA 0.786 4.956 4.170 -0.000 0.000 0.306 414 I C -0.374 175.751 176.117 0.012 0.000 1.110 414 I CA -1.557 59.747 61.300 0.007 0.000 1.019 414 I CB 1.783 39.784 38.000 0.002 0.000 1.227 414 I HN -0.098 nan 8.210 nan 0.000 0.434 415 K N 2.253 122.656 120.400 0.005 0.000 2.249 415 K HA 0.494 4.814 4.320 -0.000 0.000 0.280 415 K C -0.158 176.450 176.600 0.015 0.000 1.033 415 K CA -0.348 55.940 56.287 0.001 0.000 0.946 415 K CB 1.332 33.821 32.500 -0.017 0.000 1.005 415 K HN 0.873 nan 8.250 nan 0.000 0.469 416 T N -1.725 112.842 114.554 0.022 0.000 2.888 416 T HA 0.198 4.548 4.350 -0.000 0.000 0.288 416 T C 0.439 175.162 174.700 0.039 0.000 1.063 416 T CA -1.033 61.094 62.100 0.045 0.000 1.010 416 T CB 0.947 69.856 68.868 0.068 0.000 1.214 416 T HN 0.578 nan 8.240 nan 0.000 0.533 417 N N -0.479 118.265 118.700 0.073 0.000 2.313 417 N HA 0.079 4.819 4.740 -0.000 0.000 0.207 417 N C 1.048 176.609 175.510 0.087 0.000 1.141 417 N CA -0.107 52.972 53.050 0.049 0.000 0.830 417 N CB -0.682 37.835 38.487 0.049 0.000 1.008 417 N HN 0.618 nan 8.380 nan 0.000 0.481 418 T N 0.848 115.481 114.554 0.132 0.000 2.699 418 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 418 T C 1.371 176.142 174.700 0.118 0.000 1.036 418 T CA 1.399 63.600 62.100 0.168 0.000 1.147 418 T CB -0.007 68.925 68.868 0.108 0.000 0.862 418 T HN 0.264 nan 8.240 nan 0.000 0.446 419 E N 0.727 120.958 120.200 0.051 0.000 2.150 419 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 419 E C 2.203 178.809 176.600 0.011 0.000 0.985 419 E CA 0.517 56.933 56.400 0.027 0.000 0.814 419 E CB -0.488 29.212 29.700 0.000 0.000 0.752 419 E HN 0.335 nan 8.360 nan 0.000 0.466 420 L N 1.195 122.398 121.223 -0.033 0.000 2.046 420 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 420 L C 2.186 179.003 176.870 -0.088 0.000 1.077 420 L CA 1.841 56.633 54.840 -0.080 0.000 0.747 420 L CB -0.587 41.398 42.059 -0.124 0.000 0.896 420 L HN 0.131 nan 8.230 nan 0.000 0.432 421 H N 0.304 119.389 119.070 0.026 0.000 2.321 421 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 421 H C 2.191 177.540 175.328 0.035 0.000 1.087 421 H CA 1.669 57.729 56.048 0.020 0.000 1.319 421 H CB -0.093 29.685 29.762 0.027 0.000 1.379 421 H HN 0.415 nan 8.280 nan 0.000 0.501 422 K N 0.407 120.902 120.400 0.159 0.000 2.113 422 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 422 K C 1.890 178.543 176.600 0.088 0.000 1.047 422 K CA 1.716 58.066 56.287 0.105 0.000 0.928 422 K CB -0.116 32.429 32.500 0.075 0.000 0.716 422 K HN 0.231 nan 8.250 nan 0.000 0.446 423 D N 0.699 121.140 120.400 0.068 0.000 2.084 423 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 423 D C 1.883 178.233 176.300 0.083 0.000 0.990 423 D CA 0.907 54.943 54.000 0.058 0.000 0.826 423 D CB 0.046 40.864 40.800 0.030 0.000 0.971 423 D HN 0.025 nan 8.370 nan 0.000 0.453 424 L N 0.139 121.404 121.223 0.070 0.000 2.083 424 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 424 L C 2.276 179.264 176.870 0.196 0.000 1.083 424 L CA 0.722 55.602 54.840 0.065 0.000 0.752 424 L CB -0.402 41.608 42.059 -0.081 0.000 0.899 424 L HN 0.140 nan 8.230 nan 0.000 0.433 425 V N -3.419 116.619 119.914 0.207 0.000 3.510 425 V HA -0.057 4.063 4.120 -0.000 0.000 0.270 425 V C 1.784 177.985 176.094 0.179 0.000 1.201 425 V CA 0.928 63.384 62.300 0.259 0.000 1.166 425 V CB -0.699 31.242 31.823 0.197 0.000 0.825 425 V HN 0.380 nan 8.190 nan 0.000 0.484 426 R N 0.186 120.775 120.500 0.148 0.000 2.476 426 R HA 0.265 4.605 4.340 -0.000 0.000 0.276 426 R C 0.229 176.598 176.300 0.115 0.000 0.941 426 R CA 0.037 56.201 56.100 0.107 0.000 1.088 426 R CB 0.307 30.654 30.300 0.079 0.000 1.216 426 R HN 0.621 nan 8.270 nan 0.000 0.533 427 D N 0.141 120.639 120.400 0.163 0.000 2.390 427 D HA 0.109 4.749 4.640 -0.000 0.000 0.249 427 D C 1.161 177.551 176.300 0.149 0.000 1.144 427 D CA 0.030 54.135 54.000 0.175 0.000 0.880 427 D CB 1.337 42.285 40.800 0.245 0.000 1.182 427 D HN 0.127 nan 8.370 nan 0.000 0.451 428 A N 4.015 126.902 122.820 0.112 0.000 1.908 428 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 428 A C 2.150 179.755 177.584 0.035 0.000 1.181 428 A CA 1.942 54.017 52.037 0.065 0.000 0.627 428 A CB -1.038 17.998 19.000 0.059 0.000 0.818 428 A HN 0.716 nan 8.150 nan 0.000 0.445 429 A N -1.615 121.228 122.820 0.040 0.000 1.898 429 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 429 A C 2.122 179.640 177.584 -0.111 0.000 1.181 429 A CA 1.438 53.417 52.037 -0.097 0.000 0.620 429 A CB -0.678 18.146 19.000 -0.293 0.000 0.819 429 A HN 0.640 nan 8.150 nan 0.000 0.442 430 F N -0.078 119.755 119.950 -0.195 0.000 2.186 430 F HA -0.211 4.316 4.527 0.000 0.000 0.299 430 F C 2.406 178.163 175.800 -0.072 0.000 1.090 430 F CA 1.520 59.441 58.000 -0.132 0.000 1.307 430 F CB -0.112 38.865 39.000 -0.037 0.000 1.019 430 F HN 0.295 nan 8.300 nan 0.000 0.489 431 C N 0.585 119.833 119.300 -0.088 0.000 2.425 431 C HA -0.158 4.302 4.460 -0.000 0.000 0.277 431 C C 2.688 177.564 174.990 -0.189 0.000 1.280 431 C CA 1.407 60.327 59.018 -0.164 0.000 1.744 431 C CB -1.068 26.643 27.740 -0.048 0.000 1.989 431 C HN 0.491 nan 8.230 nan 0.000 0.491 432 K N 0.410 120.728 120.400 -0.137 0.000 2.097 432 K HA 0.182 4.502 4.320 -0.000 0.000 0.205 432 K C 0.877 177.381 176.600 -0.161 0.000 1.050 432 K CA 1.291 57.505 56.287 -0.122 0.000 0.938 432 K CB -0.228 32.226 32.500 -0.078 0.000 0.718 432 K HN 0.543 nan 8.250 nan 0.000 0.442 433 G N -1.515 107.160 108.800 -0.208 0.000 2.690 433 G HA2 0.165 4.125 3.960 -0.000 0.000 0.686 433 G HA3 0.165 4.125 3.960 -0.000 0.000 0.686 433 G C 0.322 175.156 174.900 -0.109 0.000 1.277 433 G CA -0.415 44.553 45.100 -0.220 0.000 0.799 433 G HN 0.845 nan 8.290 nan 0.000 0.613 434 G N -1.862 106.903 108.800 -0.057 0.000 2.142 434 G HA2 0.217 4.177 3.960 -0.000 0.000 0.225 434 G HA3 0.217 4.177 3.960 -0.000 0.000 0.225 434 G C 0.995 175.898 174.900 0.005 0.000 1.015 434 G CA 1.013 46.110 45.100 -0.006 0.000 0.716 434 G HN 2.453 nan 8.290 nan 0.000 0.508 435 V N -0.943 118.970 119.914 -0.001 0.000 2.924 435 V HA 0.663 4.783 4.120 -0.000 0.000 0.305 435 V C 0.641 176.769 176.094 0.057 0.000 1.073 435 V CA -0.494 61.783 62.300 -0.038 0.000 1.098 435 V CB 1.021 32.732 31.823 -0.187 0.000 1.000 435 V HN 0.861 nan 8.190 nan 0.000 0.484 436 N N 3.010 121.761 118.700 0.086 0.000 2.413 436 N HA 0.331 5.071 4.740 -0.000 0.000 0.266 436 N C 0.714 176.249 175.510 0.041 0.000 1.238 436 N CA -0.250 52.842 53.050 0.070 0.000 0.972 436 N CB 0.530 39.062 38.487 0.076 0.000 1.210 436 N HN 0.855 nan 8.380 nan 0.000 0.547 437 I N -3.972 116.538 120.570 -0.100 0.000 3.083 437 I HA -0.044 4.126 4.170 -0.000 0.000 0.273 437 I C 0.427 176.411 176.117 -0.221 0.000 1.297 437 I CA 0.982 62.182 61.300 -0.166 0.000 1.452 437 I CB -0.465 37.411 38.000 -0.206 0.000 1.078 437 I HN 0.427 nan 8.210 nan 0.000 0.484 438 H N -0.905 118.208 119.070 0.071 0.000 2.551 438 H HA 0.068 4.624 4.556 -0.000 0.000 0.271 438 H C 1.440 176.800 175.328 0.054 0.000 0.984 438 H CA 0.305 56.378 56.048 0.041 0.000 1.164 438 H CB -0.144 29.647 29.762 0.048 0.000 1.437 438 H HN 0.460 nan 8.280 nan 0.000 0.550 439 Y N 1.534 121.876 120.300 0.071 0.000 2.133 439 Y HA -0.204 4.346 4.550 0.000 0.000 0.287 439 Y C 2.353 178.261 175.900 0.015 0.000 1.134 439 Y CA 0.983 59.114 58.100 0.053 0.000 1.133 439 Y CB -0.353 38.139 38.460 0.052 0.000 0.987 439 Y HN 0.088 nan 8.280 nan 0.000 0.502 440 L N 0.912 122.132 121.223 -0.004 0.000 1.989 440 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 440 L C 2.114 178.885 176.870 -0.165 0.000 1.071 440 L CA 2.231 57.003 54.840 -0.115 0.000 0.749 440 L CB -0.959 41.056 42.059 -0.074 0.000 0.890 440 L HN 0.333 nan 8.230 nan 0.000 0.431 441 E N -0.845 119.284 120.200 -0.118 0.000 2.153 441 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 441 E C 2.156 178.691 176.600 -0.108 0.000 0.988 441 E CA 1.207 57.543 56.400 -0.106 0.000 0.811 441 E CB -0.106 29.545 29.700 -0.080 0.000 0.746 441 E HN 0.454 nan 8.360 nan 0.000 0.466 442 K N 1.500 121.821 120.400 -0.132 0.000 2.002 442 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 442 K C 2.172 178.648 176.600 -0.207 0.000 1.048 442 K CA 1.454 57.652 56.287 -0.148 0.000 0.930 442 K CB -0.007 32.410 32.500 -0.137 0.000 0.714 442 K HN -0.116 nan 8.250 nan 0.000 0.438 443 K N 0.725 120.908 120.400 -0.362 0.000 2.063 443 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 443 K C 1.896 178.408 176.600 -0.146 0.000 1.048 443 K CA 1.426 57.527 56.287 -0.311 0.000 0.928 443 K CB -0.082 32.158 32.500 -0.433 0.000 0.713 443 K HN 0.202 nan 8.250 nan 0.000 0.442 444 L N 0.571 121.728 121.223 -0.111 0.000 2.610 444 L HA 0.076 4.416 4.340 -0.000 0.000 0.232 444 L C 0.972 177.831 176.870 -0.018 0.000 1.149 444 L CA 0.238 55.061 54.840 -0.030 0.000 0.872 444 L CB -0.541 41.528 42.059 0.018 0.000 0.992 444 L HN 0.535 nan 8.230 nan 0.000 0.447 445 G N 0.000 108.773 108.800 -0.044 0.000 5.446 445 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 445 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 445 G CA 0.000 45.082 45.100 -0.030 0.000 0.502 445 G HN 0.000 nan 8.290 nan 0.000 0.925