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 3ddm_1_A DATA FIRST_RESID 8 DATA SEQUENCE ASITPARVRA HVFRYPVXXX XXXXXXXXHD RPAVLVEVED SDGAVGWGEV DATA SEQUENCE WCNFPACGAE HRARLVETVL APLLTARAFA DPAQAFAHLE ARTAVLAIQT DATA SEQUENCE GEPGPLAQAI AGLDIALCDL AARRAGQPLW AWLGGSGDRI GVYASGINPE DATA SEQUENCE NPEDVVARKA AEGYRAFKLK VGFDDARDVR NALHVRELLG AATPLMADAN DATA SEQUENCE QGWDLPRARQ MAQRLGPAQL DWLEEPLRAD RPAAEWAELA QAAPMPLAGG DATA SEQUENCE ENIAGVAAFE TALAARSLRV MQPDLAKWGG FSGCLPVARA VVAAGLRYCP DATA SEQUENCE HYLGAGIGLQ ASAHLLAAVP GLASPGLLGV DANDNPLRSL LSPALATLHE DATA SEQUENCE GRITLGGAPG LGVTPDLAAL RAAC 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.611 177.584 0.045 0.000 1.274 8 A CA 0.000 52.056 52.037 0.032 0.000 0.836 8 A CB 0.000 19.017 19.000 0.028 0.000 0.831 9 S N 2.815 118.538 115.700 0.039 0.000 2.569 9 S HA 0.507 4.980 4.470 0.004 0.000 0.274 9 S C 0.366 175.006 174.600 0.067 0.000 1.353 9 S CA -0.059 58.174 58.200 0.055 0.000 1.023 9 S CB 0.171 63.391 63.200 0.032 0.000 0.876 9 S HN 0.786 nan 8.310 nan 0.000 0.540 10 I N 1.912 122.549 120.570 0.111 0.000 2.353 10 I HA 0.317 4.489 4.170 0.004 0.000 0.293 10 I C 0.064 176.274 176.117 0.156 0.000 0.992 10 I CA -0.298 61.074 61.300 0.120 0.000 1.268 10 I CB 0.674 38.757 38.000 0.138 0.000 1.387 10 I HN 0.741 nan 8.210 nan 0.000 0.478 11 T N 6.390 121.004 114.554 0.100 0.000 3.305 11 T HA 0.291 4.644 4.350 0.004 0.000 0.348 11 T C -2.468 172.277 174.700 0.074 0.000 1.394 11 T CA -1.092 61.061 62.100 0.090 0.000 1.549 11 T CB 0.905 69.790 68.868 0.028 0.000 0.962 11 T HN 0.295 nan 8.240 nan 0.000 0.609 12 P HA 0.209 nan 4.420 nan 0.000 0.264 12 P C 0.262 177.584 177.300 0.036 0.000 1.179 12 P CA 0.167 63.298 63.100 0.053 0.000 0.763 12 P CB 0.722 32.464 31.700 0.070 0.000 0.806 13 A N 3.334 126.155 122.820 0.003 0.000 1.977 13 A HA 0.209 4.531 4.320 0.004 0.000 0.197 13 A C 0.689 178.266 177.584 -0.013 0.000 1.554 13 A CA 0.456 52.492 52.037 -0.002 0.000 1.037 13 A CB 0.269 19.264 19.000 -0.009 0.000 1.083 13 A HN 0.482 nan 8.150 nan 0.000 0.471 14 R N -0.190 120.291 120.500 -0.031 0.000 2.564 14 R HA 0.598 4.941 4.340 0.004 0.000 0.284 14 R C -2.380 173.881 176.300 -0.066 0.000 1.031 14 R CA -0.224 55.852 56.100 -0.041 0.000 0.904 14 R CB 2.184 32.460 30.300 -0.040 0.000 1.199 14 R HN 0.035 nan 8.270 nan 0.000 0.443 15 V N 5.129 125.003 119.914 -0.066 0.000 2.447 15 V HA 0.530 4.653 4.120 0.004 0.000 0.292 15 V C -0.502 175.528 176.094 -0.106 0.000 1.021 15 V CA -0.757 61.489 62.300 -0.091 0.000 0.850 15 V CB 1.588 33.370 31.823 -0.069 0.000 1.005 15 V HN 0.756 nan 8.190 nan 0.000 0.426 16 R N 2.821 123.233 120.500 -0.146 0.000 2.740 16 R HA 0.908 5.250 4.340 0.004 0.000 0.282 16 R C -0.616 175.485 176.300 -0.333 0.000 0.969 16 R CA -0.703 55.266 56.100 -0.219 0.000 0.918 16 R CB 2.591 32.771 30.300 -0.200 0.000 1.175 16 R HN 0.735 nan 8.270 nan 0.000 0.464 17 A N 1.832 124.411 122.820 -0.401 0.000 2.355 17 A HA 0.590 4.912 4.320 0.004 0.000 0.317 17 A C -1.338 175.946 177.584 -0.501 0.000 1.094 17 A CA -0.727 51.112 52.037 -0.330 0.000 0.764 17 A CB 0.722 19.634 19.000 -0.147 0.000 1.230 17 A HN 0.822 nan 8.150 nan 0.000 0.448 18 H N 0.190 119.300 119.070 0.067 0.000 2.529 18 H HA 0.562 5.121 4.556 0.004 0.000 0.348 18 H C -0.597 174.649 175.328 -0.137 0.000 1.079 18 H CA -0.706 55.316 56.048 -0.044 0.000 1.198 18 H CB 1.796 31.612 29.762 0.090 0.000 1.521 18 H HN 0.401 nan 8.280 nan 0.000 0.514 19 V N 3.797 123.561 119.914 -0.250 0.000 2.547 19 V HA 0.418 4.541 4.120 0.004 0.000 0.299 19 V C -0.648 175.111 176.094 -0.559 0.000 1.040 19 V CA -0.600 61.568 62.300 -0.220 0.000 0.913 19 V CB 0.800 32.551 31.823 -0.121 0.000 0.992 19 V HN 0.573 nan 8.190 nan 0.000 0.449 20 F N 2.790 122.778 119.950 0.062 0.000 2.578 20 F HA 0.702 5.232 4.527 0.005 0.000 0.311 20 F C 0.217 176.044 175.800 0.046 0.000 1.094 20 F CA -0.797 57.238 58.000 0.058 0.000 0.923 20 F CB 2.258 41.297 39.000 0.065 0.000 1.230 20 F HN 0.233 nan 8.300 nan 0.000 0.450 21 R N 2.384 123.016 120.500 0.220 0.000 2.507 21 R HA 0.207 4.549 4.340 0.004 0.000 0.298 21 R C -1.891 174.499 176.300 0.149 0.000 1.087 21 R CA -0.834 55.349 56.100 0.138 0.000 0.917 21 R CB 1.962 32.294 30.300 0.054 0.000 1.173 21 R HN 0.660 nan 8.270 nan 0.000 0.472 22 Y N 5.481 125.817 120.300 0.061 0.000 2.404 22 Y HA 0.221 4.774 4.550 0.005 0.000 0.344 22 Y C -2.010 173.906 175.900 0.027 0.000 0.995 22 Y CA -2.083 56.041 58.100 0.041 0.000 1.201 22 Y CB 0.981 39.452 38.460 0.020 0.000 1.151 22 Y HN 0.378 nan 8.280 nan 0.000 0.517 23 P HA 0.037 nan 4.420 nan 0.000 0.276 23 P C -0.538 176.638 177.300 -0.207 0.000 1.243 23 P CA 0.250 63.210 63.100 -0.234 0.000 0.768 23 P CB 1.932 33.495 31.700 -0.229 0.000 0.856 37 D N 0.557 121.047 120.400 0.150 0.000 2.663 37 D HA 0.204 4.846 4.640 0.004 0.000 0.233 37 D C -0.895 175.441 176.300 0.061 0.000 1.240 37 D CA -0.808 53.245 54.000 0.087 0.000 0.774 37 D CB 2.104 42.937 40.800 0.055 0.000 1.443 37 D HN -0.007 nan 8.370 nan 0.000 0.441 38 R N 1.319 121.873 120.500 0.090 0.000 2.202 38 R HA 0.424 4.766 4.340 0.004 0.000 0.334 38 R C -2.198 174.126 176.300 0.041 0.000 1.036 38 R CA -1.298 54.824 56.100 0.036 0.000 0.878 38 R CB 1.627 31.960 30.300 0.054 0.000 1.067 38 R HN 0.389 nan 8.270 nan 0.000 0.457 39 P HA 0.514 nan 4.420 nan 0.000 0.283 39 P C -1.290 176.012 177.300 0.003 0.000 1.278 39 P CA -0.620 62.474 63.100 -0.010 0.000 0.834 39 P CB 1.808 33.460 31.700 -0.081 0.000 1.150 40 A N 0.082 122.948 122.820 0.076 0.000 2.594 40 A HA 0.558 4.881 4.320 0.004 0.000 0.296 40 A C -1.767 175.926 177.584 0.183 0.000 1.056 40 A CA -0.473 51.638 52.037 0.122 0.000 0.693 40 A CB 1.090 20.190 19.000 0.167 0.000 1.278 40 A HN 0.208 nan 8.150 nan 0.000 0.408 41 V N 2.840 122.854 119.914 0.166 0.000 2.419 41 V HA 0.419 4.541 4.120 0.004 0.000 0.287 41 V C -0.548 175.676 176.094 0.216 0.000 1.017 41 V CA -0.187 62.215 62.300 0.171 0.000 0.844 41 V CB 1.165 33.044 31.823 0.093 0.000 1.011 41 V HN 0.742 nan 8.190 nan 0.000 0.429 42 L N 5.628 127.045 121.223 0.324 0.000 2.322 42 L HA 0.799 5.141 4.340 0.004 0.000 0.279 42 L C -0.237 176.860 176.870 0.377 0.000 1.036 42 L CA -0.928 54.135 54.840 0.371 0.000 0.807 42 L CB 1.918 44.253 42.059 0.461 0.000 1.226 42 L HN 0.545 nan 8.230 nan 0.000 0.433 43 V N -0.019 120.078 119.914 0.305 0.000 2.680 43 V HA 0.678 4.800 4.120 0.004 0.000 0.309 43 V C -0.697 175.426 176.094 0.048 0.000 1.052 43 V CA -0.680 61.705 62.300 0.141 0.000 0.908 43 V CB 1.752 33.597 31.823 0.036 0.000 1.001 43 V HN 0.904 nan 8.190 nan 0.000 0.431 44 E N 2.649 122.725 120.200 -0.207 0.000 2.218 44 E HA 0.707 5.059 4.350 0.004 0.000 0.263 44 E C -1.600 174.760 176.600 -0.401 0.000 0.879 44 E CA -0.921 55.087 56.400 -0.654 0.000 0.762 44 E CB 2.270 31.181 29.700 -1.313 0.000 1.166 44 E HN 0.475 nan 8.360 nan 0.000 0.415 45 V N 3.192 122.896 119.914 -0.351 0.000 2.370 45 V HA 0.222 4.344 4.120 0.004 0.000 0.279 45 V C 0.007 175.971 176.094 -0.217 0.000 1.029 45 V CA -0.587 61.581 62.300 -0.220 0.000 0.870 45 V CB 1.155 32.885 31.823 -0.155 0.000 0.984 45 V HN 0.790 nan 8.190 nan 0.000 0.451 46 E N 3.275 123.378 120.200 -0.162 0.000 2.227 46 E HA 0.231 4.584 4.350 0.004 0.000 0.282 46 E C -0.666 175.888 176.600 -0.076 0.000 1.015 46 E CA -0.655 55.670 56.400 -0.125 0.000 0.823 46 E CB 1.164 30.805 29.700 -0.098 0.000 1.081 46 E HN 0.727 nan 8.360 nan 0.000 0.396 47 D N 1.340 121.701 120.400 -0.066 0.000 2.371 47 D HA -0.035 4.608 4.640 0.004 0.000 0.242 47 D C 0.971 177.257 176.300 -0.023 0.000 1.218 47 D CA 0.202 54.180 54.000 -0.037 0.000 0.945 47 D CB 1.156 41.934 40.800 -0.037 0.000 1.137 47 D HN 0.435 nan 8.370 nan 0.000 0.464 48 S N 0.133 115.827 115.700 -0.010 0.000 2.481 48 S HA -0.087 4.386 4.470 0.004 0.000 0.231 48 S C 0.757 175.351 174.600 -0.011 0.000 0.996 48 S CA 0.475 58.670 58.200 -0.008 0.000 0.942 48 S CB 0.105 63.303 63.200 -0.003 0.000 0.768 48 S HN 0.411 nan 8.310 nan 0.000 0.520 49 D N 0.867 121.259 120.400 -0.013 0.000 2.349 49 D HA 0.306 4.949 4.640 0.004 0.000 0.214 49 D C 1.478 177.770 176.300 -0.015 0.000 1.063 49 D CA 0.744 54.737 54.000 -0.012 0.000 0.847 49 D CB 0.346 41.139 40.800 -0.011 0.000 0.933 49 D HN 0.565 nan 8.370 nan 0.000 0.513 50 G N 0.571 109.359 108.800 -0.020 0.000 2.194 50 G HA2 -0.219 3.743 3.960 0.004 0.000 0.236 50 G HA3 -0.219 3.743 3.960 0.004 0.000 0.236 50 G C 0.645 175.527 174.900 -0.030 0.000 0.987 50 G CA 0.071 45.157 45.100 -0.022 0.000 0.635 50 G HN 0.598 nan 8.290 nan 0.000 0.520 51 A N -0.222 122.577 122.820 -0.035 0.000 2.445 51 A HA 0.644 4.966 4.320 0.004 0.000 0.242 51 A C 0.418 177.957 177.584 -0.075 0.000 1.075 51 A CA 0.768 52.779 52.037 -0.044 0.000 0.777 51 A CB 0.895 19.869 19.000 -0.044 0.000 1.013 51 A HN 1.208 nan 8.150 nan 0.000 0.493 52 V N 1.206 121.069 119.914 -0.084 0.000 2.680 52 V HA 0.747 4.869 4.120 0.004 0.000 0.309 52 V C 0.656 176.635 176.094 -0.192 0.000 1.052 52 V CA 0.081 62.280 62.300 -0.169 0.000 0.908 52 V CB 2.042 33.765 31.823 -0.167 0.000 1.001 52 V HN 1.273 nan 8.190 nan 0.000 0.431 53 G N 2.175 110.787 108.800 -0.314 0.000 2.591 53 G HA2 0.645 4.608 3.960 0.004 0.000 0.306 53 G HA3 0.645 4.608 3.960 0.004 0.000 0.306 53 G C -2.002 172.689 174.900 -0.349 0.000 1.334 53 G CA -0.510 44.453 45.100 -0.229 0.000 0.981 53 G HN 0.553 nan 8.290 nan 0.000 0.491 54 W N 0.424 121.699 121.300 -0.042 0.000 2.627 54 W HA 0.731 5.393 4.660 0.003 0.000 0.339 54 W C 0.432 176.940 176.519 -0.019 0.000 1.058 54 W CA -0.278 57.059 57.345 -0.013 0.000 1.223 54 W CB 2.871 32.327 29.460 -0.007 0.000 1.389 54 W HN 0.849 nan 8.180 nan 0.000 0.541 55 G N 0.520 109.479 108.800 0.265 0.000 2.727 55 G HA2 0.592 4.554 3.960 0.004 0.000 0.289 55 G HA3 0.592 4.554 3.960 0.004 0.000 0.289 55 G C -2.053 172.929 174.900 0.137 0.000 1.418 55 G CA -0.745 44.433 45.100 0.130 0.000 0.818 55 G HN 0.376 nan 8.290 nan 0.000 0.486 56 E N -0.869 119.362 120.200 0.053 0.000 2.293 56 E HA 0.572 4.924 4.350 0.004 0.000 0.270 56 E C -1.423 175.224 176.600 0.078 0.000 0.879 56 E CA -0.657 55.787 56.400 0.073 0.000 0.756 56 E CB 2.701 32.414 29.700 0.021 0.000 1.208 56 E HN 0.253 nan 8.360 nan 0.000 0.428 57 V N 4.277 124.270 119.914 0.131 0.000 2.357 57 V HA 0.201 4.324 4.120 0.004 0.000 0.284 57 V C -0.368 175.878 176.094 0.252 0.000 1.018 57 V CA -0.749 61.652 62.300 0.169 0.000 0.841 57 V CB 0.724 32.625 31.823 0.130 0.000 0.991 57 V HN 0.770 nan 8.190 nan 0.000 0.437 58 W N 6.577 127.980 121.300 0.173 0.000 2.391 58 W HA 0.193 4.855 4.660 0.004 0.000 0.339 58 W C 0.805 177.415 176.519 0.152 0.000 1.252 58 W CA 0.653 58.135 57.345 0.229 0.000 1.304 58 W CB 0.580 30.184 29.460 0.241 0.000 1.179 58 W HN 0.829 nan 8.180 nan 0.000 0.567 59 C N 4.567 123.411 119.300 -0.761 0.000 3.809 59 C HA 0.247 4.709 4.460 0.004 0.000 0.342 59 C C 1.084 175.503 174.990 -0.951 0.000 2.837 59 C CA -0.723 57.878 59.018 -0.695 0.000 1.561 59 C CB -1.149 26.457 27.740 -0.224 0.000 3.062 59 C HN 0.787 nan 8.230 nan 0.000 0.382 60 N N 1.493 119.239 118.700 -1.590 0.000 2.120 60 N HA 0.082 4.825 4.740 0.004 0.000 0.188 60 N C -0.136 174.713 175.510 -1.101 0.000 1.024 60 N CA 1.476 53.822 53.050 -1.174 0.000 0.852 60 N CB -0.033 37.804 38.487 -1.083 0.000 1.003 60 N HN 0.686 nan 8.380 nan 0.000 0.424 61 F N 0.453 120.143 119.950 -0.434 0.000 2.563 61 F HA 0.457 4.987 4.527 0.004 0.000 0.316 61 F C -1.867 173.962 175.800 0.048 0.000 1.076 61 F CA -2.155 55.821 58.000 -0.041 0.000 0.921 61 F CB 1.735 40.840 39.000 0.175 0.000 1.209 61 F HN -0.155 nan 8.300 nan 0.000 0.462 62 P HA 0.181 nan 4.420 nan 0.000 0.275 62 P C 0.149 177.492 177.300 0.072 0.000 1.266 62 P CA -0.202 63.035 63.100 0.228 0.000 0.793 62 P CB 0.910 32.697 31.700 0.145 0.000 1.074 63 A N 0.619 123.469 122.820 0.050 0.000 1.978 63 A HA -0.205 4.118 4.320 0.004 0.000 0.220 63 A C 2.151 179.694 177.584 -0.069 0.000 1.170 63 A CA 2.059 54.059 52.037 -0.062 0.000 0.636 63 A CB -1.723 17.215 19.000 -0.103 0.000 0.810 63 A HN 0.759 nan 8.150 nan 0.000 0.448 64 C N -2.362 116.918 119.300 -0.033 0.000 2.697 64 C HA 0.485 4.948 4.460 0.004 0.000 0.267 64 C C 2.286 177.279 174.990 0.004 0.000 1.278 64 C CA -0.126 58.877 59.018 -0.024 0.000 1.708 64 C CB -1.308 26.419 27.740 -0.021 0.000 1.860 64 C HN 0.509 nan 8.230 nan 0.000 0.589 65 G N 0.861 109.671 108.800 0.016 0.000 2.559 65 G HA2 0.201 4.163 3.960 0.004 0.000 0.216 65 G HA3 0.201 4.163 3.960 0.004 0.000 0.216 65 G C 1.766 176.705 174.900 0.065 0.000 1.126 65 G CA 0.852 45.990 45.100 0.063 0.000 0.778 65 G HN 0.750 nan 8.290 nan 0.000 0.543 66 A N 1.153 123.977 122.820 0.006 0.000 1.877 66 A HA -0.020 4.302 4.320 0.004 0.000 0.216 66 A C 2.190 179.789 177.584 0.026 0.000 1.186 66 A CA 2.040 54.079 52.037 0.003 0.000 0.620 66 A CB -0.301 18.685 19.000 -0.022 0.000 0.822 66 A HN 0.326 nan 8.150 nan 0.000 0.443 67 E N -0.991 119.228 120.200 0.031 0.000 2.051 67 E HA -0.189 4.164 4.350 0.004 0.000 0.192 67 E C 1.904 178.540 176.600 0.060 0.000 0.991 67 E CA 1.561 57.978 56.400 0.029 0.000 0.799 67 E CB -0.501 29.215 29.700 0.027 0.000 0.748 67 E HN 0.828 nan 8.360 nan 0.000 0.449 68 H N 0.614 119.688 119.070 0.006 0.000 2.352 68 H HA -0.001 4.558 4.556 0.005 0.000 0.299 68 H C 1.806 177.150 175.328 0.026 0.000 1.097 68 H CA 1.879 57.938 56.048 0.017 0.000 1.311 68 H CB 0.143 29.922 29.762 0.029 0.000 1.377 68 H HN -0.022 nan 8.280 nan 0.000 0.504 69 R N -0.392 120.090 120.500 -0.030 0.000 2.092 69 R HA -0.008 4.335 4.340 0.004 0.000 0.231 69 R C 2.581 178.838 176.300 -0.070 0.000 1.119 69 R CA 1.026 57.090 56.100 -0.061 0.000 0.970 69 R CB -0.231 30.099 30.300 0.051 0.000 0.864 69 R HN 0.390 nan 8.270 nan 0.000 0.440 70 A N 1.053 123.846 122.820 -0.045 0.000 1.930 70 A HA -0.113 4.210 4.320 0.004 0.000 0.217 70 A C 1.967 179.504 177.584 -0.079 0.000 1.175 70 A CA 0.998 53.003 52.037 -0.054 0.000 0.627 70 A CB -0.208 18.762 19.000 -0.050 0.000 0.815 70 A HN 0.064 nan 8.150 nan 0.000 0.443 71 R N -0.217 120.230 120.500 -0.088 0.000 2.081 71 R HA -0.037 4.306 4.340 0.004 0.000 0.235 71 R C 2.086 178.316 176.300 -0.117 0.000 1.131 71 R CA 1.160 57.207 56.100 -0.088 0.000 0.960 71 R CB -1.174 29.090 30.300 -0.060 0.000 0.856 71 R HN 0.596 nan 8.270 nan 0.000 0.436 72 L N 0.301 121.408 121.223 -0.194 0.000 2.042 72 L HA -0.200 4.143 4.340 0.004 0.000 0.210 72 L C 2.477 179.294 176.870 -0.089 0.000 1.076 72 L CA 1.202 55.942 54.840 -0.166 0.000 0.749 72 L CB -0.545 41.387 42.059 -0.211 0.000 0.893 72 L HN -0.027 nan 8.230 nan 0.000 0.432 73 V N -0.217 119.651 119.914 -0.077 0.000 2.343 73 V HA -0.275 3.847 4.120 0.004 0.000 0.247 73 V C 2.301 178.361 176.094 -0.056 0.000 1.051 73 V CA 1.921 64.188 62.300 -0.055 0.000 1.036 73 V CB -0.423 31.370 31.823 -0.050 0.000 0.654 73 V HN 0.487 nan 8.190 nan 0.000 0.451 74 E N 0.004 120.165 120.200 -0.065 0.000 2.170 74 E HA -0.119 4.234 4.350 0.004 0.000 0.191 74 E C 2.245 178.820 176.600 -0.041 0.000 0.981 74 E CA 1.545 57.911 56.400 -0.058 0.000 0.830 74 E CB -0.148 29.511 29.700 -0.068 0.000 0.775 74 E HN 0.785 nan 8.360 nan 0.000 0.470 75 T N -2.368 112.162 114.554 -0.041 0.000 3.051 75 T HA 0.105 4.458 4.350 0.004 0.000 0.255 75 T C 1.760 176.448 174.700 -0.020 0.000 1.085 75 T CA 0.152 62.236 62.100 -0.026 0.000 1.109 75 T CB 0.382 69.237 68.868 -0.022 0.000 0.921 75 T HN -0.064 nan 8.240 nan 0.000 0.488 76 V N 0.168 120.066 119.914 -0.027 0.000 2.996 76 V HA 0.365 4.487 4.120 0.004 0.000 0.235 76 V C 2.323 178.409 176.094 -0.014 0.000 1.205 76 V CA 0.229 62.518 62.300 -0.019 0.000 1.225 76 V CB -0.031 31.777 31.823 -0.025 0.000 0.995 76 V HN 0.304 nan 8.190 nan 0.000 0.484 77 L N 0.484 121.695 121.223 -0.021 0.000 2.162 77 L HA 0.091 4.434 4.340 0.004 0.000 0.205 77 L C 2.709 179.578 176.870 -0.001 0.000 1.086 77 L CA 1.270 56.101 54.840 -0.014 0.000 0.778 77 L CB -0.749 41.297 42.059 -0.022 0.000 0.928 77 L HN 0.339 nan 8.230 nan 0.000 0.446 78 A N 1.030 123.843 122.820 -0.011 0.000 1.865 78 A HA -0.141 4.182 4.320 0.004 0.000 0.217 78 A C 0.034 177.631 177.584 0.021 0.000 1.191 78 A CA 1.877 53.910 52.037 -0.006 0.000 0.623 78 A CB -1.842 17.144 19.000 -0.023 0.000 0.826 78 A HN 0.248 nan 8.150 nan 0.000 0.444 79 P HA -0.146 nan 4.420 nan 0.000 0.215 79 P C 1.532 178.878 177.300 0.076 0.000 1.153 79 P CA 0.935 64.058 63.100 0.038 0.000 0.853 79 P CB -0.152 31.563 31.700 0.025 0.000 0.788 80 L N -1.772 119.505 121.223 0.089 0.000 1.989 80 L HA -0.198 4.145 4.340 0.004 0.000 0.211 80 L C 2.380 179.409 176.870 0.265 0.000 1.071 80 L CA 1.217 56.161 54.840 0.174 0.000 0.749 80 L CB -1.125 41.006 42.059 0.120 0.000 0.890 80 L HN -0.013 nan 8.230 nan 0.000 0.431 81 L N 0.045 121.378 121.223 0.183 0.000 2.042 81 L HA -0.182 4.161 4.340 0.004 0.000 0.210 81 L C 2.413 179.425 176.870 0.236 0.000 1.076 81 L CA 2.288 57.241 54.840 0.188 0.000 0.749 81 L CB -0.796 41.285 42.059 0.037 0.000 0.893 81 L HN 0.431 nan 8.230 nan 0.000 0.432 82 T N -3.994 110.639 114.554 0.132 0.000 3.312 82 T HA 0.393 4.745 4.350 0.004 0.000 0.251 82 T C 0.913 175.655 174.700 0.070 0.000 1.012 82 T CA 0.290 62.446 62.100 0.093 0.000 0.925 82 T CB -0.074 68.820 68.868 0.044 0.000 1.049 82 T HN 0.245 nan 8.240 nan 0.000 0.583 83 A N 1.352 124.223 122.820 0.084 0.000 2.469 83 A HA 0.553 4.876 4.320 0.004 0.000 0.245 83 A C 0.844 178.401 177.584 -0.045 0.000 1.221 83 A CA -0.612 51.441 52.037 0.028 0.000 0.946 83 A CB 0.337 19.367 19.000 0.049 0.000 1.049 83 A HN 0.710 nan 8.150 nan 0.000 0.529 84 R N -2.568 117.872 120.500 -0.100 0.000 2.829 84 R HA 0.812 5.155 4.340 0.004 0.000 0.267 84 R C -0.540 175.500 176.300 -0.432 0.000 1.051 84 R CA -0.317 55.600 56.100 -0.305 0.000 0.927 84 R CB 0.743 30.749 30.300 -0.491 0.000 1.292 84 R HN 0.241 nan 8.270 nan 0.000 0.445 85 A N 0.387 122.870 122.820 -0.561 0.000 2.288 85 A HA 0.868 5.191 4.320 0.004 0.000 0.328 85 A C -1.339 175.734 177.584 -0.852 0.000 1.123 85 A CA -0.713 51.063 52.037 -0.435 0.000 0.861 85 A CB 0.738 19.620 19.000 -0.197 0.000 1.272 85 A HN 0.436 nan 8.150 nan 0.000 0.490 86 F N -1.009 118.918 119.950 -0.037 0.000 2.581 86 F HA 0.539 5.068 4.527 0.004 0.000 0.311 86 F C 1.135 176.933 175.800 -0.003 0.000 1.113 86 F CA -0.028 57.956 58.000 -0.026 0.000 0.935 86 F CB 1.973 40.967 39.000 -0.009 0.000 1.232 86 F HN 0.684 nan 8.300 nan 0.000 0.445 87 A N 1.248 124.154 122.820 0.144 0.000 1.917 87 A HA -0.034 4.289 4.320 0.004 0.000 0.219 87 A C 0.201 177.857 177.584 0.121 0.000 1.182 87 A CA 2.454 54.548 52.037 0.095 0.000 0.633 87 A CB -0.832 18.208 19.000 0.067 0.000 0.819 87 A HN 0.858 nan 8.150 nan 0.000 0.448 88 D N -6.026 114.473 120.400 0.164 0.000 2.713 88 D HA 0.357 5.000 4.640 0.004 0.000 0.306 88 D C -2.750 173.641 176.300 0.151 0.000 1.299 88 D CA -1.130 52.963 54.000 0.154 0.000 0.823 88 D CB -0.046 40.827 40.800 0.121 0.000 1.353 88 D HN -0.183 nan 8.370 nan 0.000 0.447 89 P HA -0.046 nan 4.420 nan 0.000 0.216 89 P C 1.297 178.659 177.300 0.102 0.000 1.150 89 P CA 2.541 65.695 63.100 0.090 0.000 0.837 89 P CB -0.049 31.734 31.700 0.137 0.000 0.786 90 A N -0.098 122.800 122.820 0.130 0.000 1.908 90 A HA -0.308 4.014 4.320 0.004 0.000 0.218 90 A C 2.395 180.094 177.584 0.192 0.000 1.181 90 A CA 2.017 54.145 52.037 0.153 0.000 0.627 90 A CB -1.504 17.559 19.000 0.105 0.000 0.818 90 A HN 0.222 nan 8.150 nan 0.000 0.445 91 Q N -0.743 119.155 119.800 0.164 0.000 2.119 91 Q HA -0.081 4.262 4.340 0.004 0.000 0.201 91 Q C 2.136 178.257 176.000 0.201 0.000 0.972 91 Q CA 1.461 57.386 55.803 0.202 0.000 0.847 91 Q CB -0.331 28.551 28.738 0.240 0.000 0.903 91 Q HN 0.606 nan 8.270 nan 0.000 0.433 92 A N 0.140 122.951 122.820 -0.014 0.000 1.969 92 A HA -0.153 4.170 4.320 0.004 0.000 0.218 92 A C 1.768 179.281 177.584 -0.118 0.000 1.169 92 A CA 1.009 52.736 52.037 -0.516 0.000 0.635 92 A CB -0.781 17.655 19.000 -0.940 0.000 0.810 92 A HN 0.613 nan 8.150 nan 0.000 0.445 93 F N 1.158 121.035 119.950 -0.123 0.000 2.084 93 F HA -0.015 4.515 4.527 0.005 0.000 0.296 93 F C 2.463 178.251 175.800 -0.020 0.000 1.111 93 F CA 1.132 59.079 58.000 -0.088 0.000 1.224 93 F CB -0.683 38.262 39.000 -0.093 0.000 0.991 93 F HN 0.221 nan 8.300 nan 0.000 0.471 94 A N -0.686 122.077 122.820 -0.094 0.000 2.019 94 A HA -0.243 4.080 4.320 0.004 0.000 0.219 94 A C 2.369 179.915 177.584 -0.063 0.000 1.164 94 A CA 1.756 53.703 52.037 -0.149 0.000 0.644 94 A CB -1.434 17.589 19.000 0.039 0.000 0.805 94 A HN 0.726 nan 8.150 nan 0.000 0.449 95 H N -0.218 118.825 119.070 -0.045 0.000 2.363 95 H HA 0.034 4.593 4.556 0.005 0.000 0.301 95 H C 1.865 177.170 175.328 -0.039 0.000 1.074 95 H CA 1.460 57.526 56.048 0.029 0.000 1.354 95 H CB -0.060 29.837 29.762 0.225 0.000 1.397 95 H HN 0.421 nan 8.280 nan 0.000 0.516 96 L N 0.619 121.755 121.223 -0.144 0.000 2.083 96 L HA -0.147 4.195 4.340 0.004 0.000 0.209 96 L C 2.575 179.310 176.870 -0.225 0.000 1.083 96 L CA 1.151 55.874 54.840 -0.195 0.000 0.752 96 L CB -0.352 41.636 42.059 -0.118 0.000 0.899 96 L HN 0.378 nan 8.230 nan 0.000 0.433 97 E N 0.263 120.278 120.200 -0.309 0.000 2.028 97 E HA -0.211 4.142 4.350 0.004 0.000 0.191 97 E C 2.320 178.821 176.600 -0.164 0.000 0.988 97 E CA 1.212 57.458 56.400 -0.257 0.000 0.799 97 E CB -0.145 29.331 29.700 -0.373 0.000 0.755 97 E HN 0.471 nan 8.360 nan 0.000 0.447 98 A N 1.664 124.385 122.820 -0.165 0.000 1.908 98 A HA -0.169 4.154 4.320 0.004 0.000 0.218 98 A C 2.002 179.509 177.584 -0.129 0.000 1.181 98 A CA 1.197 53.166 52.037 -0.114 0.000 0.627 98 A CB -0.319 18.634 19.000 -0.078 0.000 0.818 98 A HN 0.028 nan 8.150 nan 0.000 0.445 99 R N -0.233 120.138 120.500 -0.216 0.000 2.323 99 R HA -0.008 4.335 4.340 0.004 0.000 0.198 99 R C 1.163 177.389 176.300 -0.123 0.000 0.988 99 R CA 1.377 57.356 56.100 -0.203 0.000 1.041 99 R CB -0.639 29.441 30.300 -0.367 0.000 0.926 99 R HN 0.763 nan 8.270 nan 0.000 0.476 100 T N -5.369 109.125 114.554 -0.100 0.000 3.058 100 T HA 0.315 4.667 4.350 0.004 0.000 0.278 100 T C 1.678 176.359 174.700 -0.032 0.000 0.974 100 T CA 0.333 62.400 62.100 -0.056 0.000 0.893 100 T CB 0.533 69.373 68.868 -0.047 0.000 1.138 100 T HN 0.011 nan 8.240 nan 0.000 0.529 101 A N 1.595 124.392 122.820 -0.040 0.000 1.883 101 A HA 0.031 4.354 4.320 0.004 0.000 0.217 101 A C 2.348 179.927 177.584 -0.009 0.000 1.186 101 A CA 1.869 53.894 52.037 -0.020 0.000 0.624 101 A CB -1.117 17.868 19.000 -0.025 0.000 0.822 101 A HN 0.395 nan 8.150 nan 0.000 0.444 102 V N -0.524 119.383 119.914 -0.012 0.000 2.453 102 V HA -0.174 3.949 4.120 0.004 0.000 0.247 102 V C 2.450 178.546 176.094 0.002 0.000 1.048 102 V CA 1.763 64.060 62.300 -0.004 0.000 1.049 102 V CB -0.539 31.280 31.823 -0.006 0.000 0.672 102 V HN 0.606 nan 8.190 nan 0.000 0.457 103 L N 0.813 122.036 121.223 0.001 0.000 2.141 103 L HA -0.015 4.328 4.340 0.004 0.000 0.209 103 L C 2.368 179.252 176.870 0.022 0.000 1.094 103 L CA 2.174 57.021 54.840 0.011 0.000 0.763 103 L CB -0.785 41.279 42.059 0.008 0.000 0.908 103 L HN 0.207 nan 8.230 nan 0.000 0.437 104 A N -0.116 122.716 122.820 0.021 0.000 1.873 104 A HA -0.159 4.163 4.320 0.004 0.000 0.215 104 A C 2.249 179.850 177.584 0.028 0.000 1.186 104 A CA 2.019 54.075 52.037 0.032 0.000 0.616 104 A CB -0.786 18.233 19.000 0.031 0.000 0.823 104 A HN 0.481 nan 8.150 nan 0.000 0.442 105 I N -0.773 119.808 120.570 0.018 0.000 2.113 105 I HA -0.291 3.882 4.170 0.004 0.000 0.238 105 I C 2.761 178.888 176.117 0.017 0.000 1.070 105 I CA 1.407 62.716 61.300 0.015 0.000 1.332 105 I CB -0.421 37.584 38.000 0.009 0.000 1.044 105 I HN 0.344 nan 8.210 nan 0.000 0.402 106 Q N 0.178 119.988 119.800 0.017 0.000 2.197 106 Q HA -0.228 4.115 4.340 0.004 0.000 0.207 106 Q C 2.152 178.166 176.000 0.023 0.000 0.984 106 Q CA 2.386 58.199 55.803 0.017 0.000 0.869 106 Q CB -0.271 28.477 28.738 0.017 0.000 0.906 106 Q HN 0.690 nan 8.270 nan 0.000 0.426 107 T N -5.766 108.807 114.554 0.031 0.000 2.971 107 T HA 0.311 4.664 4.350 0.004 0.000 0.252 107 T C 1.152 175.876 174.700 0.040 0.000 1.022 107 T CA 0.681 62.804 62.100 0.039 0.000 0.980 107 T CB 0.661 69.564 68.868 0.058 0.000 1.044 107 T HN 0.312 nan 8.240 nan 0.000 0.501 108 G N 1.865 110.688 108.800 0.038 0.000 2.198 108 G HA2 -0.214 3.748 3.960 0.004 0.000 0.257 108 G HA3 -0.214 3.748 3.960 0.004 0.000 0.257 108 G C -0.098 174.835 174.900 0.055 0.000 1.042 108 G CA 0.185 45.307 45.100 0.038 0.000 0.791 108 G HN 0.634 nan 8.290 nan 0.000 0.502 109 E N -0.105 120.138 120.200 0.071 0.000 3.269 109 E HA 0.139 4.491 4.350 0.004 0.000 0.221 109 E C -1.197 175.462 176.600 0.098 0.000 1.113 109 E CA -1.313 55.148 56.400 0.102 0.000 1.385 109 E CB 0.992 30.779 29.700 0.144 0.000 1.345 109 E HN 0.394 nan 8.360 nan 0.000 0.435 110 P HA -0.130 nan 4.420 nan 0.000 0.221 110 P C 1.299 178.665 177.300 0.111 0.000 1.150 110 P CA 0.907 64.055 63.100 0.080 0.000 0.800 110 P CB 0.425 32.155 31.700 0.050 0.000 0.787 111 G N 1.306 110.176 108.800 0.117 0.000 2.454 111 G HA2 -0.108 3.854 3.960 0.004 0.000 0.214 111 G HA3 -0.108 3.854 3.960 0.004 0.000 0.214 111 G C -0.715 174.301 174.900 0.193 0.000 1.217 111 G CA 0.807 45.994 45.100 0.146 0.000 0.799 111 G HN 0.223 nan 8.290 nan 0.000 0.538 112 P HA -0.100 nan 4.420 nan 0.000 0.216 112 P C 2.067 179.456 177.300 0.148 0.000 1.157 112 P CA 0.911 64.138 63.100 0.213 0.000 0.880 112 P CB -0.114 31.735 31.700 0.249 0.000 0.791 113 L N -1.314 119.982 121.223 0.123 0.000 2.017 113 L HA -0.182 4.160 4.340 0.004 0.000 0.208 113 L C 2.517 179.457 176.870 0.117 0.000 1.073 113 L CA 1.677 56.570 54.840 0.089 0.000 0.745 113 L CB -1.216 40.886 42.059 0.071 0.000 0.894 113 L HN -0.054 nan 8.230 nan 0.000 0.432 114 A N -0.502 122.419 122.820 0.167 0.000 1.902 114 A HA -0.277 4.045 4.320 0.004 0.000 0.217 114 A C 2.204 179.906 177.584 0.198 0.000 1.181 114 A CA 1.775 53.953 52.037 0.235 0.000 0.623 114 A CB -0.508 18.707 19.000 0.358 0.000 0.818 114 A HN 0.447 nan 8.150 nan 0.000 0.443 115 Q N -0.600 119.323 119.800 0.206 0.000 2.050 115 Q HA -0.067 4.275 4.340 0.004 0.000 0.202 115 Q C 2.428 178.522 176.000 0.157 0.000 0.980 115 Q CA 1.750 57.687 55.803 0.223 0.000 0.840 115 Q CB -0.438 28.500 28.738 0.334 0.000 0.898 115 Q HN 0.677 nan 8.270 nan 0.000 0.424 116 A N 0.561 123.454 122.820 0.122 0.000 1.902 116 A HA -0.183 4.139 4.320 0.004 0.000 0.217 116 A C 2.053 179.668 177.584 0.052 0.000 1.181 116 A CA 1.227 53.306 52.037 0.069 0.000 0.623 116 A CB -0.684 18.334 19.000 0.030 0.000 0.818 116 A HN 0.346 nan 8.150 nan 0.000 0.443 117 I N -0.389 120.221 120.570 0.067 0.000 2.179 117 I HA -0.281 3.891 4.170 0.004 0.000 0.242 117 I C 3.004 179.156 176.117 0.059 0.000 1.088 117 I CA 1.042 62.388 61.300 0.076 0.000 1.357 117 I CB -0.410 37.656 38.000 0.110 0.000 1.051 117 I HN 0.377 nan 8.210 nan 0.000 0.409 118 A N 1.000 123.833 122.820 0.022 0.000 1.908 118 A HA -0.162 4.161 4.320 0.004 0.000 0.218 118 A C 2.436 179.961 177.584 -0.098 0.000 1.181 118 A CA 2.004 53.976 52.037 -0.108 0.000 0.627 118 A CB -1.464 17.475 19.000 -0.102 0.000 0.818 118 A HN 0.469 nan 8.150 nan 0.000 0.445 119 G N -0.333 108.455 108.800 -0.019 0.000 2.440 119 G HA2 -0.178 3.784 3.960 0.004 0.000 0.218 119 G HA3 -0.178 3.784 3.960 0.004 0.000 0.218 119 G C 1.530 176.415 174.900 -0.025 0.000 1.154 119 G CA 1.042 46.134 45.100 -0.012 0.000 0.767 119 G HN 0.440 nan 8.290 nan 0.000 0.552 120 L N 0.036 121.246 121.223 -0.021 0.000 2.201 120 L HA -0.004 4.339 4.340 0.004 0.000 0.212 120 L C 2.426 179.266 176.870 -0.049 0.000 1.105 120 L CA 1.204 56.023 54.840 -0.036 0.000 0.775 120 L CB -0.204 41.835 42.059 -0.033 0.000 0.913 120 L HN 0.237 nan 8.230 nan 0.000 0.440 121 D N 0.373 120.738 120.400 -0.059 0.000 2.123 121 D HA -0.151 4.491 4.640 0.004 0.000 0.200 121 D C 2.233 178.514 176.300 -0.031 0.000 0.976 121 D CA 0.877 54.833 54.000 -0.074 0.000 0.831 121 D CB 0.124 40.805 40.800 -0.198 0.000 0.974 121 D HN 0.199 nan 8.370 nan 0.000 0.469 122 I N 0.415 120.944 120.570 -0.068 0.000 2.264 122 I HA -0.256 3.917 4.170 0.004 0.000 0.248 122 I C 2.328 178.479 176.117 0.056 0.000 1.111 122 I CA 1.079 62.384 61.300 0.008 0.000 1.382 122 I CB -0.220 37.703 38.000 -0.128 0.000 1.060 122 I HN 0.086 nan 8.210 nan 0.000 0.418 123 A N 0.543 123.359 122.820 -0.007 0.000 1.929 123 A HA -0.058 4.265 4.320 0.004 0.000 0.216 123 A C 2.257 179.785 177.584 -0.094 0.000 1.176 123 A CA 0.960 52.974 52.037 -0.037 0.000 0.628 123 A CB -0.580 18.382 19.000 -0.062 0.000 0.816 123 A HN 0.351 nan 8.150 nan 0.000 0.444 124 L N -0.897 120.272 121.223 -0.089 0.000 2.093 124 L HA -0.206 4.137 4.340 0.004 0.000 0.208 124 L C 2.565 179.331 176.870 -0.174 0.000 1.085 124 L CA 0.976 55.752 54.840 -0.108 0.000 0.755 124 L CB -0.520 41.492 42.059 -0.079 0.000 0.904 124 L HN 0.474 nan 8.230 nan 0.000 0.435 125 C N -0.474 118.710 119.300 -0.192 0.000 2.457 125 C HA -0.138 4.324 4.460 0.004 0.000 0.278 125 C C 2.491 177.037 174.990 -0.740 0.000 1.309 125 C CA 0.784 59.477 59.018 -0.543 0.000 1.735 125 C CB -0.576 26.968 27.740 -0.328 0.000 1.992 125 C HN 0.581 nan 8.230 nan 0.000 0.493 126 D N 0.726 120.901 120.400 -0.374 0.000 2.117 126 D HA -0.145 4.498 4.640 0.004 0.000 0.197 126 D C 1.959 178.067 176.300 -0.319 0.000 0.987 126 D CA 1.030 54.840 54.000 -0.317 0.000 0.829 126 D CB -0.258 40.483 40.800 -0.097 0.000 0.961 126 D HN 0.275 nan 8.370 nan 0.000 0.460 127 L N 0.547 121.618 121.223 -0.254 0.000 2.017 127 L HA 0.010 4.352 4.340 0.004 0.000 0.208 127 L C 2.156 178.880 176.870 -0.244 0.000 1.073 127 L CA 2.329 57.047 54.840 -0.203 0.000 0.745 127 L CB -1.213 40.753 42.059 -0.155 0.000 0.894 127 L HN 0.084 nan 8.230 nan 0.000 0.432 128 A N -0.453 122.165 122.820 -0.337 0.000 1.902 128 A HA -0.042 4.281 4.320 0.004 0.000 0.217 128 A C 2.444 179.752 177.584 -0.460 0.000 1.181 128 A CA 1.806 53.664 52.037 -0.299 0.000 0.623 128 A CB -1.156 17.726 19.000 -0.197 0.000 0.818 128 A HN 0.611 nan 8.150 nan 0.000 0.443 129 A N -0.410 121.871 122.820 -0.899 0.000 1.898 129 A HA -0.101 4.222 4.320 0.004 0.000 0.216 129 A C 2.226 179.603 177.584 -0.346 0.000 1.181 129 A CA 1.554 53.112 52.037 -0.798 0.000 0.620 129 A CB -0.391 18.073 19.000 -0.892 0.000 0.819 129 A HN 0.510 nan 8.150 nan 0.000 0.442 130 R N -0.623 119.705 120.500 -0.287 0.000 2.070 130 R HA -0.045 4.298 4.340 0.004 0.000 0.233 130 R C 2.466 178.701 176.300 -0.108 0.000 1.137 130 R CA 1.618 57.623 56.100 -0.159 0.000 0.945 130 R CB -0.285 29.944 30.300 -0.118 0.000 0.845 130 R HN 0.457 nan 8.270 nan 0.000 0.430 131 R N -0.201 120.236 120.500 -0.104 0.000 2.127 131 R HA -0.101 4.241 4.340 0.004 0.000 0.238 131 R C 1.878 178.158 176.300 -0.034 0.000 1.134 131 R CA 1.421 57.487 56.100 -0.056 0.000 0.975 131 R CB -0.241 30.034 30.300 -0.043 0.000 0.865 131 R HN 0.209 nan 8.270 nan 0.000 0.447 132 A N 0.184 122.985 122.820 -0.031 0.000 2.238 132 A HA 0.199 4.522 4.320 0.004 0.000 0.208 132 A C 1.174 178.745 177.584 -0.020 0.000 1.177 132 A CA 0.602 52.644 52.037 0.008 0.000 0.804 132 A CB -0.093 18.963 19.000 0.094 0.000 0.823 132 A HN 0.429 nan 8.150 nan 0.000 0.482 133 G N -0.566 108.205 108.800 -0.049 0.000 2.323 133 G HA2 -0.238 3.724 3.960 0.004 0.000 0.292 133 G HA3 -0.238 3.724 3.960 0.004 0.000 0.292 133 G C -0.167 174.690 174.900 -0.071 0.000 1.040 133 G CA 0.612 45.680 45.100 -0.053 0.000 0.942 133 G HN 0.681 nan 8.290 nan 0.000 0.506 134 Q N -0.386 119.352 119.800 -0.104 0.000 2.423 134 Q HA 0.510 4.853 4.340 0.004 0.000 0.278 134 Q C -2.654 173.219 176.000 -0.211 0.000 1.097 134 Q CA -2.195 53.518 55.803 -0.149 0.000 0.809 134 Q CB 3.253 31.923 28.738 -0.114 0.000 1.391 134 Q HN 0.227 nan 8.270 nan 0.000 0.428 135 P HA -0.012 nan 4.420 nan 0.000 0.275 135 P C 0.410 177.512 177.300 -0.331 0.000 1.227 135 P CA -0.369 62.583 63.100 -0.247 0.000 0.781 135 P CB 0.990 32.576 31.700 -0.190 0.000 0.906 136 L N 3.825 124.823 121.223 -0.375 0.000 2.051 136 L HA -0.167 4.176 4.340 0.004 0.000 0.214 136 L C 2.402 179.272 176.870 0.000 0.000 1.076 136 L CA 1.924 56.551 54.840 -0.355 0.000 0.758 136 L CB -1.865 39.812 42.059 -0.637 0.000 0.890 136 L HN 0.633 nan 8.230 nan 0.000 0.433 137 W N -0.633 120.841 121.300 0.290 0.000 2.342 137 W HA -0.162 4.499 4.660 0.002 0.000 0.297 137 W C 1.941 178.539 176.519 0.132 0.000 1.213 137 W CA 1.112 58.597 57.345 0.233 0.000 1.251 137 W CB -1.155 28.441 29.460 0.226 0.000 1.136 137 W HN 0.236 nan 8.180 nan 0.000 0.526 138 A N 0.637 123.020 122.820 -0.728 0.000 1.897 138 A HA -0.152 4.171 4.320 0.004 0.000 0.215 138 A C 1.764 179.224 177.584 -0.206 0.000 1.181 138 A CA 1.518 53.116 52.037 -0.732 0.000 0.620 138 A CB -1.659 16.687 19.000 -1.089 0.000 0.821 138 A HN 0.476 nan 8.150 nan 0.000 0.443 139 W N 0.803 121.896 121.300 -0.345 0.000 2.335 139 W HA -0.145 4.515 4.660 0.001 0.000 0.311 139 W C 1.353 177.759 176.519 -0.187 0.000 1.213 139 W CA 1.855 59.051 57.345 -0.248 0.000 1.274 139 W CB -0.269 29.026 29.460 -0.274 0.000 1.148 139 W HN 0.221 nan 8.180 nan 0.000 0.498 140 L N 1.188 122.462 121.223 0.085 0.000 2.700 140 L HA 0.118 4.460 4.340 0.004 0.000 0.240 140 L C 1.727 178.558 176.870 -0.065 0.000 1.162 140 L CA 0.830 55.646 54.840 -0.040 0.000 0.874 140 L CB -1.317 40.780 42.059 0.064 0.000 1.001 140 L HN 0.356 nan 8.230 nan 0.000 0.447 141 G N -0.098 108.658 108.800 -0.072 0.000 2.160 141 G HA2 -0.203 3.759 3.960 0.004 0.000 0.244 141 G HA3 -0.203 3.759 3.960 0.004 0.000 0.244 141 G C 0.445 175.392 174.900 0.078 0.000 1.022 141 G CA -0.117 44.961 45.100 -0.037 0.000 0.741 141 G HN 0.536 nan 8.290 nan 0.000 0.508 142 G N -0.879 108.046 108.800 0.207 0.000 2.528 142 G HA2 0.656 4.619 3.960 0.004 0.000 0.289 142 G HA3 0.656 4.619 3.960 0.004 0.000 0.289 142 G C 0.939 176.128 174.900 0.481 0.000 1.192 142 G CA 0.699 46.019 45.100 0.366 0.000 0.921 142 G HN 1.427 nan 8.290 nan 0.000 0.512 143 S N -1.070 114.851 115.700 0.369 0.000 2.666 143 S HA 0.522 4.994 4.470 0.004 0.000 0.239 143 S C 0.697 175.390 174.600 0.156 0.000 1.031 143 S CA 0.326 58.728 58.200 0.335 0.000 1.015 143 S CB 0.458 63.751 63.200 0.156 0.000 0.981 143 S HN 1.224 nan 8.310 nan 0.000 0.547 144 G N 0.927 109.609 108.800 -0.198 0.000 2.695 144 G HA2 0.532 4.494 3.960 0.004 0.000 0.290 144 G HA3 0.532 4.494 3.960 0.004 0.000 0.290 144 G C -1.117 173.051 174.900 -1.220 0.000 1.410 144 G CA -0.208 44.569 45.100 -0.538 0.000 0.844 144 G HN 0.157 nan 8.290 nan 0.000 0.478 145 D N -1.380 118.435 120.400 -0.975 0.000 2.539 145 D HA 0.072 4.715 4.640 0.004 0.000 0.232 145 D C 0.533 176.545 176.300 -0.480 0.000 1.256 145 D CA -0.413 52.979 54.000 -1.014 0.000 0.810 145 D CB 0.602 40.837 40.800 -0.942 0.000 1.090 145 D HN 0.361 nan 8.370 nan 0.000 0.519 146 R N 1.569 121.870 120.500 -0.331 0.000 2.265 146 R HA 0.571 4.914 4.340 0.004 0.000 0.319 146 R C -0.137 176.072 176.300 -0.152 0.000 1.006 146 R CA -0.597 55.386 56.100 -0.196 0.000 0.880 146 R CB 0.721 30.939 30.300 -0.138 0.000 1.077 146 R HN 0.238 nan 8.270 nan 0.000 0.454 147 I N 0.217 120.717 120.570 -0.117 0.000 2.969 147 I HA 0.729 4.901 4.170 0.004 0.000 0.307 147 I C -0.282 175.810 176.117 -0.041 0.000 1.149 147 I CA -1.310 59.946 61.300 -0.072 0.000 1.008 147 I CB 2.328 40.287 38.000 -0.068 0.000 1.232 147 I HN 0.654 nan 8.210 nan 0.000 0.435 148 G N 1.927 110.722 108.800 -0.009 0.000 2.477 148 G HA2 0.648 4.610 3.960 0.004 0.000 0.304 148 G HA3 0.648 4.610 3.960 0.004 0.000 0.304 148 G C -0.504 174.428 174.900 0.054 0.000 1.175 148 G CA -0.413 44.696 45.100 0.014 0.000 0.907 148 G HN 1.103 nan 8.290 nan 0.000 0.509 149 V N -1.522 118.437 119.914 0.075 0.000 3.160 149 V HA 0.923 5.046 4.120 0.004 0.000 0.310 149 V C -1.234 174.985 176.094 0.209 0.000 1.181 149 V CA -1.391 60.985 62.300 0.127 0.000 1.047 149 V CB 1.434 33.329 31.823 0.119 0.000 1.068 149 V HN 1.258 nan 8.190 nan 0.000 0.441 150 Y N 0.034 120.373 120.300 0.065 0.000 2.544 150 Y HA 0.928 5.481 4.550 0.004 0.000 0.342 150 Y C -0.240 175.517 175.900 -0.238 0.000 1.062 150 Y CA -0.951 57.089 58.100 -0.100 0.000 1.023 150 Y CB 1.313 39.693 38.460 -0.133 0.000 1.308 150 Y HN 1.167 nan 8.280 nan 0.000 0.457 151 A N 2.555 125.130 122.820 -0.408 0.000 2.444 151 A HA 0.479 4.802 4.320 0.004 0.000 0.273 151 A C 0.048 177.555 177.584 -0.129 0.000 1.136 151 A CA 0.082 51.783 52.037 -0.560 0.000 0.799 151 A CB -0.157 18.603 19.000 -0.400 0.000 1.081 151 A HN 0.760 nan 8.150 nan 0.000 0.509 152 S N 2.100 117.670 115.700 -0.217 0.000 2.475 152 S HA 0.600 5.072 4.470 0.004 0.000 0.298 152 S C 0.704 175.293 174.600 -0.019 0.000 1.119 152 S CA 0.498 58.673 58.200 -0.042 0.000 1.085 152 S CB 0.742 63.813 63.200 -0.215 0.000 1.028 152 S HN 2.441 nan 8.310 nan 0.000 0.489 153 G N 4.066 112.894 108.800 0.047 0.000 2.248 153 G HA2 -0.188 3.774 3.960 0.004 0.000 0.263 153 G HA3 -0.188 3.774 3.960 0.004 0.000 0.263 153 G C -0.143 174.788 174.900 0.051 0.000 1.082 153 G CA -0.006 45.121 45.100 0.046 0.000 0.863 153 G HN 0.776 nan 8.290 nan 0.000 0.495 154 I N 0.589 121.196 120.570 0.063 0.000 2.517 154 I HA 0.090 4.263 4.170 0.004 0.000 0.285 154 I C 0.919 177.077 176.117 0.069 0.000 1.106 154 I CA -0.522 60.811 61.300 0.056 0.000 1.402 154 I CB 0.348 38.386 38.000 0.062 0.000 1.399 154 I HN 0.190 nan 8.210 nan 0.000 0.535 155 N N 9.085 127.816 118.700 0.052 0.000 2.479 155 N HA 0.054 4.796 4.740 0.004 0.000 0.257 155 N C -1.393 174.144 175.510 0.044 0.000 1.232 155 N CA -0.779 52.301 53.050 0.049 0.000 0.920 155 N CB 0.459 38.946 38.487 -0.001 0.000 1.105 155 N HN 0.414 nan 8.380 nan 0.000 0.444 156 P HA -0.095 nan 4.420 nan 0.000 0.226 156 P C 0.132 177.431 177.300 -0.001 0.000 1.153 156 P CA 1.086 64.222 63.100 0.060 0.000 0.777 156 P CB 0.456 32.235 31.700 0.131 0.000 0.794 157 E N 1.062 121.234 120.200 -0.046 0.000 2.023 157 E HA -0.118 4.235 4.350 0.004 0.000 0.196 157 E C 0.591 177.176 176.600 -0.025 0.000 1.003 157 E CA 1.344 57.715 56.400 -0.049 0.000 0.809 157 E CB -0.643 29.020 29.700 -0.062 0.000 0.755 157 E HN 0.401 nan 8.360 nan 0.000 0.449 158 N N -0.474 118.218 118.700 -0.015 0.000 2.726 158 N HA 0.159 4.902 4.740 0.004 0.000 0.253 158 N C -2.413 173.101 175.510 0.006 0.000 1.530 158 N CA -0.748 52.298 53.050 -0.006 0.000 0.772 158 N CB 1.840 40.321 38.487 -0.011 0.000 1.220 158 N HN -0.064 nan 8.380 nan 0.000 0.508 159 P HA -0.247 nan 4.420 nan 0.000 0.215 159 P C 1.468 178.763 177.300 -0.009 0.000 1.157 159 P CA 1.258 64.367 63.100 0.015 0.000 0.874 159 P CB 0.234 31.957 31.700 0.039 0.000 0.790 160 E N -0.048 120.175 120.200 0.038 0.000 2.160 160 E HA -0.228 4.125 4.350 0.004 0.000 0.195 160 E C 1.256 177.840 176.600 -0.028 0.000 0.991 160 E CA 1.523 57.929 56.400 0.010 0.000 0.810 160 E CB -1.364 28.423 29.700 0.146 0.000 0.742 160 E HN 0.265 nan 8.360 nan 0.000 0.466 161 D N 1.323 121.719 120.400 -0.006 0.000 2.084 161 D HA -0.125 4.517 4.640 0.004 0.000 0.196 161 D C 2.227 178.514 176.300 -0.021 0.000 0.985 161 D CA 2.174 56.168 54.000 -0.011 0.000 0.826 161 D CB -0.367 40.431 40.800 -0.002 0.000 0.978 161 D HN 0.272 nan 8.370 nan 0.000 0.456 162 V N -0.093 119.809 119.914 -0.020 0.000 2.548 162 V HA -0.119 4.003 4.120 0.004 0.000 0.249 162 V C 2.177 178.251 176.094 -0.034 0.000 1.055 162 V CA 1.090 63.384 62.300 -0.010 0.000 1.065 162 V CB -0.424 31.400 31.823 0.002 0.000 0.681 162 V HN -0.005 nan 8.190 nan 0.000 0.462 163 V N 1.122 120.965 119.914 -0.118 0.000 2.407 163 V HA -0.150 3.972 4.120 0.004 0.000 0.248 163 V C 3.106 179.038 176.094 -0.270 0.000 1.055 163 V CA 2.164 64.267 62.300 -0.330 0.000 1.049 163 V CB -1.223 30.298 31.823 -0.502 0.000 0.662 163 V HN 0.708 nan 8.190 nan 0.000 0.455 164 A N -0.176 122.555 122.820 -0.147 0.000 1.877 164 A HA -0.253 4.070 4.320 0.004 0.000 0.216 164 A C 2.405 179.989 177.584 0.001 0.000 1.186 164 A CA 2.025 54.016 52.037 -0.077 0.000 0.620 164 A CB -0.579 18.391 19.000 -0.049 0.000 0.822 164 A HN 0.457 nan 8.150 nan 0.000 0.443 165 R N -0.444 120.067 120.500 0.017 0.000 2.083 165 R HA -0.157 4.185 4.340 0.004 0.000 0.237 165 R C 1.809 178.186 176.300 0.128 0.000 1.137 165 R CA 1.701 57.836 56.100 0.059 0.000 0.951 165 R CB -0.112 30.215 30.300 0.045 0.000 0.851 165 R HN 0.285 nan 8.270 nan 0.000 0.434 166 K N -0.083 120.425 120.400 0.180 0.000 2.217 166 K HA -0.014 4.309 4.320 0.004 0.000 0.202 166 K C 1.858 178.757 176.600 0.499 0.000 1.051 166 K CA 1.144 57.650 56.287 0.366 0.000 0.952 166 K CB -0.263 32.460 32.500 0.371 0.000 0.736 166 K HN 0.234 nan 8.250 nan 0.000 0.453 167 A N 1.618 124.669 122.820 0.386 0.000 1.898 167 A HA -0.020 4.302 4.320 0.004 0.000 0.216 167 A C 2.434 180.143 177.584 0.208 0.000 1.181 167 A CA 1.848 54.109 52.037 0.373 0.000 0.620 167 A CB -0.579 18.540 19.000 0.198 0.000 0.819 167 A HN 0.268 nan 8.150 nan 0.000 0.442 168 A N -0.093 122.813 122.820 0.144 0.000 1.933 168 A HA -0.171 4.152 4.320 0.004 0.000 0.218 168 A C 1.847 179.485 177.584 0.089 0.000 1.175 168 A CA 1.666 53.759 52.037 0.093 0.000 0.628 168 A CB -0.508 18.532 19.000 0.068 0.000 0.814 168 A HN 0.633 nan 8.150 nan 0.000 0.444 169 E N -1.929 118.347 120.200 0.127 0.000 2.268 169 E HA 0.150 4.502 4.350 0.004 0.000 0.195 169 E C 1.230 177.821 176.600 -0.015 0.000 0.995 169 E CA 0.535 56.988 56.400 0.087 0.000 0.836 169 E CB -0.073 29.733 29.700 0.176 0.000 0.763 169 E HN 0.753 nan 8.360 nan 0.000 0.491 170 G N -0.342 108.453 108.800 -0.007 0.000 2.273 170 G HA2 -0.189 3.774 3.960 0.004 0.000 0.162 170 G HA3 -0.189 3.774 3.960 0.004 0.000 0.162 170 G C -0.455 174.314 174.900 -0.218 0.000 1.006 170 G CA -0.678 44.349 45.100 -0.123 0.000 0.704 170 G HN 0.102 nan 8.290 nan 0.000 0.487 171 Y N 1.285 121.604 120.300 0.032 0.000 2.377 171 Y HA 0.589 5.141 4.550 0.005 0.000 0.330 171 Y C 1.518 177.331 175.900 -0.146 0.000 1.108 171 Y CA -0.249 57.788 58.100 -0.104 0.000 1.308 171 Y CB 0.866 39.228 38.460 -0.162 0.000 1.216 171 Y HN -0.052 nan 8.280 nan 0.000 0.518 172 R N 2.060 122.490 120.500 -0.116 0.000 2.577 172 R HA 0.554 4.896 4.340 0.004 0.000 0.344 172 R C -0.798 175.371 176.300 -0.218 0.000 1.037 172 R CA -0.221 55.832 56.100 -0.079 0.000 1.102 172 R CB 0.379 30.663 30.300 -0.027 0.000 1.313 172 R HN 0.578 nan 8.270 nan 0.000 0.561 173 A N 0.478 122.901 122.820 -0.661 0.000 2.566 173 A HA 0.756 5.078 4.320 0.004 0.000 0.297 173 A C -1.448 175.562 177.584 -0.957 0.000 1.059 173 A CA -0.603 51.128 52.037 -0.510 0.000 0.691 173 A CB 1.164 20.062 19.000 -0.169 0.000 1.282 173 A HN 0.082 nan 8.150 nan 0.000 0.401 174 F N 0.413 120.363 119.950 0.001 0.000 2.599 174 F HA 0.707 5.238 4.527 0.005 0.000 0.311 174 F C 0.022 175.772 175.800 -0.084 0.000 1.076 174 F CA -0.594 57.409 58.000 0.006 0.000 0.937 174 F CB 2.657 41.648 39.000 -0.015 0.000 1.282 174 F HN 0.548 nan 8.300 nan 0.000 0.460 175 K N 2.272 122.769 120.400 0.161 0.000 2.426 175 K HA 0.676 4.999 4.320 0.004 0.000 0.254 175 K C -1.828 174.815 176.600 0.072 0.000 0.936 175 K CA -0.646 55.656 56.287 0.025 0.000 0.801 175 K CB 1.212 33.764 32.500 0.086 0.000 1.139 175 K HN 0.493 nan 8.250 nan 0.000 0.424 176 L N 3.446 124.688 121.223 0.031 0.000 2.343 176 L HA 0.420 4.762 4.340 0.004 0.000 0.275 176 L C 0.024 176.926 176.870 0.054 0.000 1.056 176 L CA -0.336 54.536 54.840 0.055 0.000 0.804 176 L CB 1.231 43.321 42.059 0.051 0.000 1.203 176 L HN 0.510 nan 8.230 nan 0.000 0.440 177 K N 2.326 122.782 120.400 0.093 0.000 2.201 177 K HA 0.680 5.002 4.320 0.004 0.000 0.278 177 K C -0.563 176.097 176.600 0.100 0.000 1.027 177 K CA -0.404 55.941 56.287 0.095 0.000 0.909 177 K CB 1.940 34.577 32.500 0.228 0.000 1.062 177 K HN 0.493 nan 8.250 nan 0.000 0.465 178 V N -2.399 117.456 119.914 -0.098 0.000 3.167 178 V HA 0.871 4.993 4.120 0.004 0.000 0.310 178 V C 0.557 176.347 176.094 -0.507 0.000 1.207 178 V CA -0.010 62.226 62.300 -0.107 0.000 1.059 178 V CB 1.530 33.384 31.823 0.051 0.000 1.079 178 V HN 0.872 nan 8.190 nan 0.000 0.446 179 G N -0.376 108.235 108.800 -0.315 0.000 2.284 179 G HA2 -0.197 3.766 3.960 0.004 0.000 0.201 179 G HA3 -0.197 3.766 3.960 0.004 0.000 0.201 179 G C 0.112 174.842 174.900 -0.284 0.000 0.998 179 G CA 0.391 45.204 45.100 -0.477 0.000 0.651 179 G HN 0.902 nan 8.290 nan 0.000 0.489 180 F N 1.405 121.396 119.950 0.068 0.000 2.123 180 F HA 0.393 4.923 4.527 0.004 0.000 0.289 180 F C 1.255 177.110 175.800 0.092 0.000 1.099 180 F CA 1.122 59.160 58.000 0.062 0.000 1.234 180 F CB 0.014 39.036 39.000 0.036 0.000 1.034 180 F HN 0.164 nan 8.300 nan 0.000 0.479 181 D N -0.792 119.797 120.400 0.316 0.000 2.505 181 D HA 0.203 4.846 4.640 0.004 0.000 0.250 181 D C -0.075 176.326 176.300 0.169 0.000 1.164 181 D CA -0.297 53.821 54.000 0.198 0.000 0.870 181 D CB 1.020 41.911 40.800 0.153 0.000 1.160 181 D HN -0.094 nan 8.370 nan 0.000 0.549 182 D N 2.391 122.869 120.400 0.130 0.000 2.127 182 D HA -0.229 4.413 4.640 0.004 0.000 0.190 182 D C 1.934 178.269 176.300 0.057 0.000 1.000 182 D CA 2.035 56.082 54.000 0.079 0.000 0.839 182 D CB 0.001 40.804 40.800 0.005 0.000 0.955 182 D HN 0.499 nan 8.370 nan 0.000 0.446 183 A N 0.138 122.984 122.820 0.043 0.000 1.898 183 A HA -0.168 4.155 4.320 0.004 0.000 0.216 183 A C 2.147 179.756 177.584 0.042 0.000 1.181 183 A CA 1.510 53.565 52.037 0.030 0.000 0.620 183 A CB -0.467 18.544 19.000 0.019 0.000 0.819 183 A HN 0.087 nan 8.150 nan 0.000 0.442 184 R N -0.472 120.063 120.500 0.058 0.000 2.081 184 R HA -0.146 4.197 4.340 0.004 0.000 0.235 184 R C 1.441 177.790 176.300 0.080 0.000 1.131 184 R CA 1.648 57.783 56.100 0.059 0.000 0.960 184 R CB -0.296 30.044 30.300 0.068 0.000 0.856 184 R HN 0.474 nan 8.270 nan 0.000 0.436 185 D N -0.026 120.444 120.400 0.116 0.000 2.097 185 D HA -0.153 4.490 4.640 0.004 0.000 0.195 185 D C 1.881 178.242 176.300 0.103 0.000 0.989 185 D CA 1.729 55.811 54.000 0.137 0.000 0.827 185 D CB -0.177 40.740 40.800 0.195 0.000 0.966 185 D HN 0.271 nan 8.370 nan 0.000 0.456 186 V N -1.038 118.922 119.914 0.077 0.000 2.809 186 V HA -0.052 4.070 4.120 0.004 0.000 0.256 186 V C 2.277 178.401 176.094 0.050 0.000 1.080 186 V CA 1.055 63.388 62.300 0.054 0.000 1.102 186 V CB -0.462 31.377 31.823 0.026 0.000 0.705 186 V HN -0.008 nan 8.190 nan 0.000 0.475 187 R N 0.475 121.004 120.500 0.048 0.000 2.057 187 R HA -0.077 4.266 4.340 0.004 0.000 0.229 187 R C 2.431 178.773 176.300 0.071 0.000 1.136 187 R CA 1.731 57.855 56.100 0.040 0.000 0.952 187 R CB -0.322 29.984 30.300 0.010 0.000 0.848 187 R HN 0.562 nan 8.270 nan 0.000 0.430 188 N N 0.859 119.602 118.700 0.071 0.000 2.043 188 N HA -0.179 4.564 4.740 0.004 0.000 0.193 188 N C 1.691 177.258 175.510 0.096 0.000 1.037 188 N CA 1.645 54.751 53.050 0.093 0.000 0.851 188 N CB -0.617 37.920 38.487 0.083 0.000 1.027 188 N HN 0.219 nan 8.380 nan 0.000 0.422 189 A N 1.595 124.460 122.820 0.076 0.000 1.884 189 A HA -0.151 4.172 4.320 0.004 0.000 0.219 189 A C 2.421 180.031 177.584 0.044 0.000 1.197 189 A CA 1.436 53.506 52.037 0.055 0.000 0.637 189 A CB -0.983 18.051 19.000 0.057 0.000 0.827 189 A HN 0.268 nan 8.150 nan 0.000 0.450 190 L N -2.074 119.182 121.223 0.055 0.000 2.093 190 L HA -0.156 4.186 4.340 0.004 0.000 0.208 190 L C 2.661 179.566 176.870 0.057 0.000 1.085 190 L CA 1.674 56.541 54.840 0.046 0.000 0.755 190 L CB -0.790 41.297 42.059 0.047 0.000 0.904 190 L HN 0.620 nan 8.230 nan 0.000 0.435 191 H N 0.242 119.306 119.070 -0.010 0.000 2.293 191 H HA -0.144 4.415 4.556 0.005 0.000 0.300 191 H C 2.108 177.417 175.328 -0.032 0.000 1.082 191 H CA 1.942 57.979 56.048 -0.018 0.000 1.308 191 H CB -0.138 29.614 29.762 -0.016 0.000 1.375 191 H HN -0.024 nan 8.280 nan 0.000 0.495 192 V N 0.851 120.727 119.914 -0.063 0.000 2.594 192 V HA -0.218 3.905 4.120 0.004 0.000 0.253 192 V C 2.558 178.572 176.094 -0.134 0.000 1.069 192 V CA 1.939 64.155 62.300 -0.140 0.000 1.082 192 V CB -0.587 31.192 31.823 -0.074 0.000 0.680 192 V HN 0.326 nan 8.190 nan 0.000 0.469 193 R N 0.959 121.412 120.500 -0.078 0.000 2.075 193 R HA -0.123 4.220 4.340 0.004 0.000 0.232 193 R C 2.029 178.283 176.300 -0.077 0.000 1.126 193 R CA 1.715 57.781 56.100 -0.057 0.000 0.963 193 R CB -0.532 29.752 30.300 -0.026 0.000 0.858 193 R HN 0.610 nan 8.270 nan 0.000 0.435 194 E N 0.067 120.206 120.200 -0.103 0.000 2.023 194 E HA -0.208 4.145 4.350 0.004 0.000 0.196 194 E C 1.901 178.418 176.600 -0.137 0.000 1.003 194 E CA 1.537 57.872 56.400 -0.108 0.000 0.809 194 E CB -0.352 29.277 29.700 -0.119 0.000 0.755 194 E HN 0.195 nan 8.360 nan 0.000 0.449 195 L N 1.042 122.129 121.223 -0.226 0.000 1.990 195 L HA -0.229 4.114 4.340 0.004 0.000 0.213 195 L C 2.124 178.915 176.870 -0.132 0.000 1.072 195 L CA 1.745 56.461 54.840 -0.208 0.000 0.755 195 L CB -0.335 41.552 42.059 -0.286 0.000 0.889 195 L HN 0.132 nan 8.230 nan 0.000 0.432 196 L N -1.383 119.766 121.223 -0.124 0.000 2.275 196 L HA 0.098 4.440 4.340 0.004 0.000 0.215 196 L C 1.823 178.676 176.870 -0.028 0.000 1.119 196 L CA 0.650 55.450 54.840 -0.065 0.000 0.790 196 L CB -0.907 41.128 42.059 -0.039 0.000 0.919 196 L HN 0.661 nan 8.230 nan 0.000 0.443 197 G N -0.747 108.030 108.800 -0.040 0.000 3.597 197 G HA2 -0.237 3.725 3.960 0.004 0.000 0.256 197 G HA3 -0.237 3.725 3.960 0.004 0.000 0.256 197 G C 0.531 175.423 174.900 -0.014 0.000 1.792 197 G CA 0.105 45.191 45.100 -0.023 0.000 1.219 197 G HN 0.477 nan 8.290 nan 0.000 0.577 198 A N -2.074 120.744 122.820 -0.003 0.000 2.025 198 A HA 0.788 5.111 4.320 0.004 0.000 0.162 198 A C 1.901 179.489 177.584 0.006 0.000 1.995 198 A CA 1.855 53.892 52.037 -0.000 0.000 1.547 198 A CB -0.933 18.066 19.000 -0.002 0.000 1.629 198 A HN 2.222 nan 8.150 nan 0.000 0.309 199 A N 0.320 123.146 122.820 0.010 0.000 2.119 199 A HA 0.329 4.651 4.320 0.004 0.000 0.216 199 A C 1.073 178.669 177.584 0.019 0.000 1.152 199 A CA 1.526 53.570 52.037 0.012 0.000 0.708 199 A CB -0.650 18.356 19.000 0.010 0.000 0.805 199 A HN 0.391 nan 8.150 nan 0.000 0.460 200 T N 2.991 117.566 114.554 0.035 0.000 2.814 200 T HA 0.383 4.736 4.350 0.004 0.000 0.297 200 T C -2.619 172.106 174.700 0.041 0.000 0.956 200 T CA -0.674 61.464 62.100 0.063 0.000 1.123 200 T CB 0.829 69.779 68.868 0.136 0.000 0.902 200 T HN 0.087 nan 8.240 nan 0.000 0.528 201 P HA 0.246 nan 4.420 nan 0.000 0.266 201 P C -0.951 176.302 177.300 -0.078 0.000 1.215 201 P CA -0.469 62.594 63.100 -0.062 0.000 0.763 201 P CB 0.358 31.998 31.700 -0.099 0.000 0.806 202 L N 5.187 126.338 121.223 -0.121 0.000 2.385 202 L HA 0.626 4.969 4.340 0.004 0.000 0.273 202 L C -0.833 175.859 176.870 -0.296 0.000 0.990 202 L CA -0.509 54.255 54.840 -0.126 0.000 0.821 202 L CB 1.625 43.660 42.059 -0.041 0.000 1.279 202 L HN 0.253 nan 8.230 nan 0.000 0.412 203 M N 3.658 123.018 119.600 -0.399 0.000 2.796 203 M HA 0.931 5.414 4.480 0.004 0.000 0.303 203 M C -0.792 175.331 176.300 -0.296 0.000 1.240 203 M CA -0.402 54.533 55.300 -0.609 0.000 0.831 203 M CB 2.197 34.030 32.600 -1.278 0.000 1.750 203 M HN 0.636 nan 8.290 nan 0.000 0.484 204 A N 0.583 123.269 122.820 -0.223 0.000 2.488 204 A HA 0.703 5.025 4.320 0.004 0.000 0.298 204 A C -1.968 175.624 177.584 0.013 0.000 1.044 204 A CA -0.575 51.433 52.037 -0.049 0.000 0.693 204 A CB 1.175 20.189 19.000 0.024 0.000 1.272 204 A HN 0.723 nan 8.150 nan 0.000 0.402 205 D N 1.726 122.122 120.400 -0.006 0.000 2.492 205 D HA 0.638 5.281 4.640 0.004 0.000 0.248 205 D C 0.522 176.709 176.300 -0.187 0.000 1.101 205 D CA 0.355 54.344 54.000 -0.019 0.000 0.840 205 D CB 1.848 42.666 40.800 0.030 0.000 1.209 205 D HN 0.543 nan 8.370 nan 0.000 0.524 206 A N 3.615 126.232 122.820 -0.338 0.000 2.267 206 A HA 0.167 4.489 4.320 0.004 0.000 0.213 206 A C 0.681 177.940 177.584 -0.542 0.000 1.192 206 A CA -0.077 51.538 52.037 -0.704 0.000 0.851 206 A CB -0.570 17.582 19.000 -1.414 0.000 0.881 206 A HN 0.746 nan 8.150 nan 0.000 0.494 207 N N 0.099 118.627 118.700 -0.287 0.000 2.725 207 N HA -0.240 4.503 4.740 0.004 0.000 0.251 207 N C -0.178 175.212 175.510 -0.200 0.000 1.031 207 N CA 0.999 53.935 53.050 -0.190 0.000 0.720 207 N CB -1.738 36.639 38.487 -0.184 0.000 0.930 207 N HN 0.681 nan 8.380 nan 0.000 0.543 208 Q N -3.731 115.963 119.800 -0.177 0.000 2.481 208 Q HA -0.241 4.101 4.340 0.004 0.000 0.272 208 Q C 1.132 177.019 176.000 -0.189 0.000 1.157 208 Q CA 0.854 56.581 55.803 -0.126 0.000 0.935 208 Q CB -1.793 26.915 28.738 -0.050 0.000 1.338 208 Q HN 0.726 nan 8.270 nan 0.000 0.494 209 G N -1.365 107.213 108.800 -0.370 0.000 3.042 209 G HA2 0.073 4.035 3.960 0.004 0.000 0.212 209 G HA3 0.073 4.035 3.960 0.004 0.000 0.212 209 G C -0.146 174.658 174.900 -0.159 0.000 1.166 209 G CA -0.109 44.785 45.100 -0.344 0.000 0.767 209 G HN 0.214 nan 8.290 nan 0.000 0.546 210 W N 0.967 122.208 121.300 -0.098 0.000 2.820 210 W HA 0.468 5.131 4.660 0.005 0.000 0.350 210 W C -0.576 175.876 176.519 -0.112 0.000 1.116 210 W CA -1.442 55.844 57.345 -0.098 0.000 1.146 210 W CB 0.947 30.346 29.460 -0.103 0.000 1.433 210 W HN 0.098 nan 8.180 nan 0.000 0.561 211 D N -0.476 120.008 120.400 0.141 0.000 2.440 211 D HA 0.256 4.899 4.640 0.004 0.000 0.258 211 D C 0.917 177.200 176.300 -0.030 0.000 1.092 211 D CA -0.690 53.321 54.000 0.018 0.000 1.016 211 D CB 0.554 41.353 40.800 -0.002 0.000 1.141 211 D HN 0.081 nan 8.370 nan 0.000 0.552 212 L N 0.455 121.630 121.223 -0.080 0.000 1.990 212 L HA -0.069 4.274 4.340 0.004 0.000 0.213 212 L C -0.940 175.867 176.870 -0.106 0.000 1.072 212 L CA 2.124 56.898 54.840 -0.110 0.000 0.755 212 L CB -1.769 40.225 42.059 -0.108 0.000 0.889 212 L HN 0.484 nan 8.230 nan 0.000 0.432 213 P HA -0.202 nan 4.420 nan 0.000 0.220 213 P C 1.573 178.781 177.300 -0.154 0.000 1.148 213 P CA 1.498 64.535 63.100 -0.104 0.000 0.803 213 P CB -0.155 31.497 31.700 -0.078 0.000 0.782 214 R N 0.059 120.450 120.500 -0.181 0.000 2.093 214 R HA 0.042 4.385 4.340 0.004 0.000 0.224 214 R C 2.358 178.335 176.300 -0.540 0.000 1.101 214 R CA 1.206 57.108 56.100 -0.330 0.000 0.979 214 R CB -0.645 29.473 30.300 -0.304 0.000 0.877 214 R HN 0.030 nan 8.270 nan 0.000 0.441 215 A N 1.114 123.714 122.820 -0.366 0.000 1.902 215 A HA -0.160 4.163 4.320 0.004 0.000 0.217 215 A C 2.125 179.545 177.584 -0.274 0.000 1.181 215 A CA 1.279 53.123 52.037 -0.321 0.000 0.623 215 A CB -0.423 18.575 19.000 -0.004 0.000 0.818 215 A HN 0.310 nan 8.150 nan 0.000 0.443 216 R N -0.837 119.548 120.500 -0.191 0.000 2.080 216 R HA -0.201 4.142 4.340 0.004 0.000 0.236 216 R C 2.628 178.828 176.300 -0.167 0.000 1.137 216 R CA 1.769 57.786 56.100 -0.138 0.000 0.943 216 R CB -0.432 29.805 30.300 -0.106 0.000 0.846 216 R HN 0.793 nan 8.270 nan 0.000 0.431 217 Q N 0.157 119.830 119.800 -0.211 0.000 2.030 217 Q HA -0.210 4.133 4.340 0.004 0.000 0.204 217 Q C 2.062 177.913 176.000 -0.249 0.000 0.986 217 Q CA 1.560 57.239 55.803 -0.207 0.000 0.843 217 Q CB 0.079 28.687 28.738 -0.218 0.000 0.904 217 Q HN 0.231 nan 8.270 nan 0.000 0.420 218 M N -0.077 119.271 119.600 -0.420 0.000 2.132 218 M HA -0.085 4.398 4.480 0.004 0.000 0.263 218 M C 2.319 178.475 176.300 -0.241 0.000 1.065 218 M CA 1.464 56.499 55.300 -0.441 0.000 1.122 218 M CB -1.335 30.678 32.600 -0.978 0.000 1.365 218 M HN 0.363 nan 8.290 nan 0.000 0.411 219 A N -0.584 122.114 122.820 -0.203 0.000 2.024 219 A HA -0.225 4.098 4.320 0.004 0.000 0.220 219 A C 2.130 179.692 177.584 -0.037 0.000 1.164 219 A CA 1.760 53.769 52.037 -0.048 0.000 0.643 219 A CB -0.568 18.426 19.000 -0.010 0.000 0.806 219 A HN 0.481 nan 8.150 nan 0.000 0.451 220 Q N -0.515 119.243 119.800 -0.070 0.000 2.033 220 Q HA 0.002 4.344 4.340 0.004 0.000 0.196 220 Q C 2.211 178.187 176.000 -0.040 0.000 0.970 220 Q CA 1.509 57.283 55.803 -0.048 0.000 0.828 220 Q CB -0.145 28.557 28.738 -0.060 0.000 0.895 220 Q HN 0.668 nan 8.270 nan 0.000 0.440 221 R N -0.380 120.085 120.500 -0.060 0.000 2.193 221 R HA -0.039 4.304 4.340 0.004 0.000 0.229 221 R C 1.902 178.192 176.300 -0.017 0.000 1.110 221 R CA 0.820 56.895 56.100 -0.042 0.000 0.988 221 R CB -0.152 30.112 30.300 -0.060 0.000 0.871 221 R HN 0.256 nan 8.270 nan 0.000 0.458 222 L N -0.738 120.479 121.223 -0.009 0.000 2.375 222 L HA 0.083 4.426 4.340 0.004 0.000 0.215 222 L C 2.439 179.320 176.870 0.018 0.000 1.108 222 L CA 0.480 55.333 54.840 0.020 0.000 0.830 222 L CB -0.609 41.481 42.059 0.052 0.000 0.959 222 L HN 0.300 nan 8.230 nan 0.000 0.457 223 G N 2.114 110.920 108.800 0.011 0.000 2.679 223 G HA2 -0.290 3.673 3.960 0.004 0.000 0.222 223 G HA3 -0.290 3.673 3.960 0.004 0.000 0.222 223 G C -0.394 174.513 174.900 0.011 0.000 1.164 223 G CA 1.280 46.388 45.100 0.013 0.000 0.769 223 G HN 0.326 nan 8.290 nan 0.000 0.610 224 P HA -0.022 nan 4.420 nan 0.000 0.223 224 P C 1.574 178.879 177.300 0.007 0.000 1.144 224 P CA 1.624 64.728 63.100 0.007 0.000 0.783 224 P CB -0.152 31.551 31.700 0.006 0.000 0.771 225 A N -0.640 122.186 122.820 0.009 0.000 2.167 225 A HA -0.052 4.271 4.320 0.004 0.000 0.214 225 A C 0.932 178.515 177.584 -0.001 0.000 1.151 225 A CA 0.401 52.441 52.037 0.005 0.000 0.735 225 A CB -0.667 18.339 19.000 0.011 0.000 0.802 225 A HN 0.056 nan 8.150 nan 0.000 0.467 226 Q N -0.867 118.935 119.800 0.003 0.000 2.452 226 Q HA -0.175 4.168 4.340 0.004 0.000 0.318 226 Q C -0.537 175.456 176.000 -0.010 0.000 1.386 226 Q CA 0.684 56.488 55.803 0.002 0.000 0.872 226 Q CB -2.302 26.436 28.738 0.001 0.000 1.151 226 Q HN 0.703 nan 8.270 nan 0.000 0.417 227 L N -0.233 120.982 121.223 -0.012 0.000 2.452 227 L HA 0.046 4.388 4.340 0.004 0.000 0.267 227 L C 1.546 178.393 176.870 -0.039 0.000 1.188 227 L CA -0.151 54.658 54.840 -0.051 0.000 0.821 227 L CB 0.294 42.329 42.059 -0.041 0.000 1.102 227 L HN 0.003 nan 8.230 nan 0.000 0.470 228 D N 0.248 120.576 120.400 -0.121 0.000 2.234 228 D HA 0.019 4.662 4.640 0.004 0.000 0.205 228 D C -0.560 175.853 176.300 0.188 0.000 0.962 228 D CA 1.055 55.042 54.000 -0.022 0.000 0.855 228 D CB 0.261 40.981 40.800 -0.133 0.000 0.951 228 D HN 0.513 nan 8.370 nan 0.000 0.500 229 W N -0.793 120.505 121.300 -0.003 0.000 3.319 229 W HA 0.385 5.048 4.660 0.004 0.000 0.300 229 W C -2.426 174.117 176.519 0.039 0.000 1.244 229 W CA -1.054 56.305 57.345 0.022 0.000 1.193 229 W CB 0.173 29.640 29.460 0.013 0.000 1.359 229 W HN -0.304 nan 8.180 nan 0.000 0.568 230 L N 3.294 124.782 121.223 0.442 0.000 2.276 230 L HA 0.429 4.771 4.340 0.004 0.000 0.286 230 L C 0.015 177.139 176.870 0.423 0.000 1.024 230 L CA -0.637 54.407 54.840 0.341 0.000 0.826 230 L CB 1.286 43.512 42.059 0.278 0.000 1.211 230 L HN 0.705 nan 8.230 nan 0.000 0.422 231 E N 4.805 125.250 120.200 0.407 0.000 2.227 231 E HA 0.093 4.446 4.350 0.004 0.000 0.282 231 E C -0.349 176.359 176.600 0.181 0.000 1.015 231 E CA -0.320 56.279 56.400 0.332 0.000 0.823 231 E CB 0.655 30.596 29.700 0.401 0.000 1.081 231 E HN 0.532 nan 8.360 nan 0.000 0.396 232 E N 3.020 123.355 120.200 0.225 0.000 2.199 232 E HA -0.188 4.165 4.350 0.004 0.000 0.208 232 E C -1.814 174.834 176.600 0.079 0.000 1.310 232 E CA 0.150 56.686 56.400 0.226 0.000 0.709 232 E CB -0.528 29.243 29.700 0.117 0.000 1.127 232 E HN 0.561 nan 8.360 nan 0.000 0.354 233 P HA -0.110 nan 4.420 nan 0.000 0.221 233 P C 0.638 177.925 177.300 -0.021 0.000 1.150 233 P CA 1.197 64.326 63.100 0.049 0.000 0.800 233 P CB 0.382 32.233 31.700 0.252 0.000 0.787 234 L N -1.203 119.905 121.223 -0.191 0.000 2.301 234 L HA 0.459 4.801 4.340 0.004 0.000 0.264 234 L C 0.792 177.656 176.870 -0.010 0.000 1.016 234 L CA -1.512 53.177 54.840 -0.252 0.000 0.821 234 L CB 1.818 43.436 42.059 -0.734 0.000 1.346 234 L HN -0.329 nan 8.230 nan 0.000 0.429 235 R N 0.298 120.804 120.500 0.010 0.000 2.590 235 R HA 0.157 4.500 4.340 0.004 0.000 0.274 235 R C 0.926 177.380 176.300 0.256 0.000 1.061 235 R CA 0.243 56.398 56.100 0.092 0.000 1.081 235 R CB 0.609 30.932 30.300 0.039 0.000 0.984 235 R HN 0.819 nan 8.270 nan 0.000 0.448 236 A N 2.537 125.486 122.820 0.215 0.000 2.131 236 A HA -0.204 4.118 4.320 0.004 0.000 0.220 236 A C 1.332 179.005 177.584 0.148 0.000 1.158 236 A CA 1.511 53.656 52.037 0.181 0.000 0.665 236 A CB -0.242 18.763 19.000 0.008 0.000 0.795 236 A HN 0.709 nan 8.150 nan 0.000 0.460 237 D N -0.142 120.331 120.400 0.121 0.000 2.117 237 D HA -0.056 4.586 4.640 0.004 0.000 0.198 237 D C 0.774 177.147 176.300 0.122 0.000 0.982 237 D CA 0.410 54.458 54.000 0.079 0.000 0.828 237 D CB -0.211 40.616 40.800 0.045 0.000 0.967 237 D HN 0.158 nan 8.370 nan 0.000 0.464 238 R N 1.372 121.973 120.500 0.168 0.000 2.547 238 R HA -0.038 4.305 4.340 0.004 0.000 0.269 238 R C -2.150 174.276 176.300 0.211 0.000 0.968 238 R CA -0.435 55.749 56.100 0.140 0.000 1.101 238 R CB -1.042 29.268 30.300 0.016 0.000 0.898 238 R HN 0.139 nan 8.270 nan 0.000 0.416 239 P HA 0.032 nan 4.420 nan 0.000 0.272 239 P C 0.259 177.674 177.300 0.192 0.000 1.230 239 P CA 0.114 63.283 63.100 0.115 0.000 0.788 239 P CB 0.542 32.276 31.700 0.058 0.000 0.949 240 A N 2.633 125.541 122.820 0.147 0.000 1.948 240 A HA -0.248 4.075 4.320 0.004 0.000 0.220 240 A C 2.128 179.810 177.584 0.162 0.000 1.177 240 A CA 2.380 54.513 52.037 0.160 0.000 0.636 240 A CB -1.746 17.294 19.000 0.067 0.000 0.815 240 A HN 0.575 nan 8.150 nan 0.000 0.449 241 A N -0.243 122.636 122.820 0.098 0.000 1.940 241 A HA -0.209 4.113 4.320 0.004 0.000 0.219 241 A C 1.920 179.538 177.584 0.055 0.000 1.176 241 A CA 1.703 53.780 52.037 0.065 0.000 0.631 241 A CB -0.495 18.527 19.000 0.036 0.000 0.814 241 A HN 0.692 nan 8.150 nan 0.000 0.446 242 E N -1.718 118.505 120.200 0.039 0.000 2.107 242 E HA -0.192 4.161 4.350 0.004 0.000 0.191 242 E C 1.803 178.349 176.600 -0.090 0.000 0.982 242 E CA 1.022 57.386 56.400 -0.060 0.000 0.809 242 E CB -0.208 29.408 29.700 -0.140 0.000 0.756 242 E HN 0.885 nan 8.360 nan 0.000 0.459 243 W N 1.179 122.482 121.300 0.004 0.000 2.409 243 W HA -0.029 4.634 4.660 0.005 0.000 0.299 243 W C 2.622 179.146 176.519 0.009 0.000 1.203 243 W CA 1.006 58.356 57.345 0.008 0.000 1.298 243 W CB -0.235 29.223 29.460 -0.004 0.000 1.127 243 W HN 0.054 nan 8.180 nan 0.000 0.528 244 A N 0.007 122.964 122.820 0.230 0.000 1.902 244 A HA -0.260 4.063 4.320 0.004 0.000 0.217 244 A C 1.889 179.524 177.584 0.087 0.000 1.181 244 A CA 1.982 54.100 52.037 0.135 0.000 0.623 244 A CB -0.854 18.203 19.000 0.094 0.000 0.818 244 A HN 0.401 nan 8.150 nan 0.000 0.443 245 E N -0.678 119.555 120.200 0.055 0.000 2.047 245 E HA -0.184 4.169 4.350 0.004 0.000 0.191 245 E C 1.957 178.565 176.600 0.014 0.000 0.987 245 E CA 1.299 57.711 56.400 0.021 0.000 0.799 245 E CB -0.196 29.500 29.700 -0.006 0.000 0.752 245 E HN 0.424 nan 8.360 nan 0.000 0.449 246 L N 1.093 122.314 121.223 -0.003 0.000 2.042 246 L HA -0.128 4.215 4.340 0.004 0.000 0.210 246 L C 2.295 179.194 176.870 0.049 0.000 1.076 246 L CA 2.217 57.051 54.840 -0.011 0.000 0.749 246 L CB -0.793 41.217 42.059 -0.083 0.000 0.893 246 L HN 0.174 nan 8.230 nan 0.000 0.432 247 A N -1.058 121.824 122.820 0.103 0.000 1.917 247 A HA -0.293 4.030 4.320 0.004 0.000 0.219 247 A C 2.163 179.794 177.584 0.078 0.000 1.182 247 A CA 2.077 54.187 52.037 0.121 0.000 0.633 247 A CB -0.593 18.495 19.000 0.147 0.000 0.819 247 A HN 0.702 nan 8.150 nan 0.000 0.448 248 Q N -0.941 118.894 119.800 0.058 0.000 2.123 248 Q HA 0.024 4.367 4.340 0.004 0.000 0.199 248 Q C 2.295 178.312 176.000 0.029 0.000 0.966 248 Q CA 1.179 57.007 55.803 0.040 0.000 0.845 248 Q CB -0.305 28.452 28.738 0.031 0.000 0.907 248 Q HN 0.670 nan 8.270 nan 0.000 0.439 249 A N 1.072 123.904 122.820 0.020 0.000 2.067 249 A HA 0.248 4.571 4.320 0.004 0.000 0.217 249 A C 1.153 178.743 177.584 0.011 0.000 1.156 249 A CA 0.511 52.551 52.037 0.006 0.000 0.683 249 A CB -0.149 18.843 19.000 -0.012 0.000 0.808 249 A HN 0.294 nan 8.150 nan 0.000 0.455 250 A N 0.294 123.132 122.820 0.030 0.000 2.401 250 A HA 0.536 4.859 4.320 0.004 0.000 0.259 250 A C -1.251 176.361 177.584 0.046 0.000 1.103 250 A CA -1.100 50.962 52.037 0.042 0.000 0.789 250 A CB 0.217 19.262 19.000 0.075 0.000 1.035 250 A HN 0.179 nan 8.150 nan 0.000 0.491 251 P HA -0.010 nan 4.420 nan 0.000 0.224 251 P C 0.369 177.702 177.300 0.055 0.000 1.157 251 P CA 0.825 63.948 63.100 0.039 0.000 0.799 251 P CB 0.018 31.735 31.700 0.028 0.000 0.809 252 M N -1.082 118.562 119.600 0.074 0.000 2.705 252 M HA 0.608 5.091 4.480 0.004 0.000 0.311 252 M C -3.081 173.296 176.300 0.128 0.000 1.214 252 M CA -2.752 52.607 55.300 0.098 0.000 0.920 252 M CB 0.778 33.441 32.600 0.104 0.000 1.687 252 M HN -0.349 nan 8.290 nan 0.000 0.481 253 P HA 0.377 nan 4.420 nan 0.000 0.274 253 P C -1.055 176.372 177.300 0.212 0.000 1.237 253 P CA -0.431 62.765 63.100 0.160 0.000 0.793 253 P CB 0.813 32.600 31.700 0.146 0.000 0.977 254 L N 1.132 122.467 121.223 0.187 0.000 2.343 254 L HA 0.656 4.999 4.340 0.004 0.000 0.275 254 L C 0.510 177.448 176.870 0.112 0.000 1.056 254 L CA -0.355 54.622 54.840 0.227 0.000 0.804 254 L CB 0.757 43.001 42.059 0.308 0.000 1.203 254 L HN 0.533 nan 8.230 nan 0.000 0.440 255 A N 0.950 123.826 122.820 0.094 0.000 2.454 255 A HA 0.987 5.310 4.320 0.004 0.000 0.302 255 A C -0.398 177.162 177.584 -0.040 0.000 1.079 255 A CA 0.089 52.044 52.037 -0.136 0.000 0.731 255 A CB 1.825 20.481 19.000 -0.574 0.000 1.299 255 A HN 0.838 nan 8.150 nan 0.000 0.413 256 G N -1.693 107.041 108.800 -0.111 0.000 2.523 256 G HA2 0.636 4.599 3.960 0.004 0.000 0.291 256 G HA3 0.636 4.599 3.960 0.004 0.000 0.291 256 G C 0.078 174.939 174.900 -0.066 0.000 1.450 256 G CA 0.513 45.564 45.100 -0.082 0.000 0.790 256 G HN 2.172 nan 8.290 nan 0.000 0.496 257 G N -1.045 107.729 108.800 -0.042 0.000 3.302 257 G HA2 -0.116 3.847 3.960 0.004 0.000 0.216 257 G HA3 -0.116 3.847 3.960 0.004 0.000 0.216 257 G C 0.895 175.824 174.900 0.049 0.000 1.008 257 G CA 1.039 46.163 45.100 0.040 0.000 0.852 257 G HN 0.645 nan 8.290 nan 0.000 0.485 258 E N 1.029 121.260 120.200 0.051 0.000 2.147 258 E HA -0.115 4.238 4.350 0.004 0.000 0.199 258 E C 0.957 177.527 176.600 -0.050 0.000 1.005 258 E CA 1.414 57.839 56.400 0.042 0.000 0.810 258 E CB -0.161 29.632 29.700 0.155 0.000 0.736 258 E HN 0.659 nan 8.360 nan 0.000 0.460 259 N N -0.589 118.071 118.700 -0.068 0.000 2.467 259 N HA 0.273 5.016 4.740 0.004 0.000 0.278 259 N C -0.747 174.647 175.510 -0.192 0.000 1.306 259 N CA -0.098 52.881 53.050 -0.118 0.000 0.905 259 N CB 1.010 39.450 38.487 -0.079 0.000 1.236 259 N HN -0.031 nan 8.380 nan 0.000 0.509 260 I N 0.924 121.334 120.570 -0.265 0.000 2.436 260 I HA 0.685 4.858 4.170 0.004 0.000 0.289 260 I C -0.638 175.191 176.117 -0.479 0.000 1.010 260 I CA -0.898 60.085 61.300 -0.528 0.000 1.098 260 I CB 1.796 39.241 38.000 -0.925 0.000 1.266 260 I HN 0.009 nan 8.210 nan 0.000 0.434 261 A N 4.436 126.940 122.820 -0.527 0.000 2.475 261 A HA 0.963 5.286 4.320 0.004 0.000 0.301 261 A C -0.195 176.786 177.584 -1.006 0.000 1.059 261 A CA -0.235 51.395 52.037 -0.677 0.000 0.710 261 A CB 1.761 20.554 19.000 -0.345 0.000 1.288 261 A HN 1.163 nan 8.150 nan 0.000 0.408 262 G N -0.697 106.884 108.800 -2.031 0.000 2.719 262 G HA2 0.223 4.186 3.960 0.004 0.000 0.686 262 G HA3 0.223 4.186 3.960 0.004 0.000 0.686 262 G C 0.598 175.132 174.900 -0.610 0.000 1.201 262 G CA 0.180 44.686 45.100 -0.991 0.000 0.768 262 G HN 2.095 nan 8.290 nan 0.000 0.629 263 V N 1.640 121.509 119.914 -0.075 0.000 2.343 263 V HA 0.102 4.225 4.120 0.004 0.000 0.247 263 V C 2.990 179.103 176.094 0.031 0.000 1.051 263 V CA 3.356 65.722 62.300 0.110 0.000 1.036 263 V CB -0.819 31.142 31.823 0.231 0.000 0.654 263 V HN 2.310 nan 8.190 nan 0.000 0.451 264 A N -0.097 122.708 122.820 -0.025 0.000 1.933 264 A HA 0.009 4.332 4.320 0.004 0.000 0.218 264 A C 2.438 179.955 177.584 -0.112 0.000 1.175 264 A CA 2.105 54.113 52.037 -0.048 0.000 0.628 264 A CB -0.993 17.977 19.000 -0.049 0.000 0.814 264 A HN 0.924 nan 8.150 nan 0.000 0.444 265 A N -1.309 121.382 122.820 -0.215 0.000 1.930 265 A HA 0.050 4.373 4.320 0.004 0.000 0.217 265 A C 1.901 179.242 177.584 -0.404 0.000 1.175 265 A CA 1.376 53.207 52.037 -0.343 0.000 0.627 265 A CB -0.655 18.048 19.000 -0.496 0.000 0.815 265 A HN 0.448 nan 8.150 nan 0.000 0.443 266 F N 0.358 120.173 119.950 -0.226 0.000 2.259 266 F HA -0.051 4.480 4.527 0.006 0.000 0.298 266 F C 2.386 178.114 175.800 -0.121 0.000 1.088 266 F CA 1.533 59.428 58.000 -0.175 0.000 1.358 266 F CB -0.275 38.631 39.000 -0.157 0.000 1.040 266 F HN 0.312 nan 8.300 nan 0.000 0.505 267 E N -0.596 119.635 120.200 0.052 0.000 2.110 267 E HA -0.171 4.182 4.350 0.004 0.000 0.193 267 E C 2.102 178.686 176.600 -0.028 0.000 0.988 267 E CA 1.767 58.179 56.400 0.020 0.000 0.804 267 E CB -0.390 29.318 29.700 0.013 0.000 0.745 267 E HN 0.302 nan 8.360 nan 0.000 0.458 268 T N 0.943 115.453 114.554 -0.074 0.000 2.708 268 T HA -0.159 4.193 4.350 0.004 0.000 0.266 268 T C 2.021 176.652 174.700 -0.115 0.000 1.037 268 T CA 1.280 63.324 62.100 -0.095 0.000 1.146 268 T CB -0.229 68.562 68.868 -0.128 0.000 0.865 268 T HN 0.262 nan 8.240 nan 0.000 0.435 269 A N 1.034 123.755 122.820 -0.165 0.000 1.902 269 A HA -0.013 4.310 4.320 0.004 0.000 0.217 269 A C 2.232 179.759 177.584 -0.094 0.000 1.181 269 A CA 1.216 53.140 52.037 -0.188 0.000 0.623 269 A CB -0.835 18.012 19.000 -0.256 0.000 0.818 269 A HN 0.378 nan 8.150 nan 0.000 0.443 270 L N -0.310 120.891 121.223 -0.038 0.000 2.046 270 L HA -0.070 4.273 4.340 0.004 0.000 0.208 270 L C 2.795 179.656 176.870 -0.016 0.000 1.077 270 L CA 1.937 56.772 54.840 -0.008 0.000 0.747 270 L CB -0.697 41.374 42.059 0.019 0.000 0.896 270 L HN 0.369 nan 8.230 nan 0.000 0.432 271 A N -1.154 121.652 122.820 -0.022 0.000 2.024 271 A HA -0.101 4.222 4.320 0.004 0.000 0.220 271 A C 2.310 179.885 177.584 -0.015 0.000 1.164 271 A CA 1.815 53.842 52.037 -0.016 0.000 0.643 271 A CB -0.755 18.233 19.000 -0.020 0.000 0.806 271 A HN 0.508 nan 8.150 nan 0.000 0.451 272 A N -1.830 120.975 122.820 -0.026 0.000 1.973 272 A HA 0.312 4.635 4.320 0.004 0.000 0.210 272 A C 1.296 178.877 177.584 -0.004 0.000 1.200 272 A CA 0.732 52.761 52.037 -0.014 0.000 0.707 272 A CB -0.029 18.958 19.000 -0.022 0.000 0.862 272 A HN 0.465 nan 8.150 nan 0.000 0.461 273 R N -0.600 119.890 120.500 -0.017 0.000 3.770 273 R HA -0.155 4.187 4.340 0.004 0.000 0.305 273 R C 1.054 177.362 176.300 0.013 0.000 1.184 273 R CA 0.568 56.665 56.100 -0.004 0.000 0.823 273 R CB -2.547 27.758 30.300 0.009 0.000 1.285 273 R HN 0.447 nan 8.270 nan 0.000 0.499 274 S N 0.189 115.895 115.700 0.010 0.000 2.395 274 S HA 0.063 4.536 4.470 0.004 0.000 0.225 274 S C 0.963 175.602 174.600 0.065 0.000 1.027 274 S CA 0.551 58.795 58.200 0.074 0.000 0.965 274 S CB 0.187 63.468 63.200 0.136 0.000 0.812 274 S HN 0.254 nan 8.310 nan 0.000 0.482 275 L N 1.997 123.197 121.223 -0.039 0.000 2.290 275 L HA 0.360 4.703 4.340 0.004 0.000 0.284 275 L C 1.215 178.068 176.870 -0.029 0.000 1.078 275 L CA -0.191 54.613 54.840 -0.061 0.000 0.815 275 L CB 0.843 42.789 42.059 -0.189 0.000 1.162 275 L HN 0.064 nan 8.230 nan 0.000 0.435 276 R N 1.944 122.440 120.500 -0.006 0.000 2.334 276 R HA 0.224 4.567 4.340 0.004 0.000 0.212 276 R C -0.584 175.692 176.300 -0.040 0.000 0.897 276 R CA 0.086 56.185 56.100 -0.001 0.000 1.056 276 R CB 0.847 31.169 30.300 0.037 0.000 1.046 276 R HN 0.362 nan 8.270 nan 0.000 0.513 277 V N 1.927 121.772 119.914 -0.115 0.000 2.357 277 V HA 0.298 4.421 4.120 0.004 0.000 0.281 277 V C -0.560 175.406 176.094 -0.214 0.000 1.015 277 V CA -0.502 61.651 62.300 -0.245 0.000 0.827 277 V CB 1.518 32.994 31.823 -0.579 0.000 1.018 277 V HN 0.103 nan 8.190 nan 0.000 0.432 278 M N 4.024 123.575 119.600 -0.081 0.000 2.188 278 M HA 0.437 4.920 4.480 0.004 0.000 0.357 278 M C 0.042 176.381 176.300 0.064 0.000 1.204 278 M CA 0.263 55.574 55.300 0.019 0.000 1.095 278 M CB 1.353 34.017 32.600 0.107 0.000 1.604 278 M HN 0.580 nan 8.290 nan 0.000 0.464 279 Q N 4.727 124.567 119.800 0.066 0.000 2.943 279 Q HA 0.320 4.663 4.340 0.004 0.000 0.327 279 Q C -2.398 173.662 176.000 0.101 0.000 0.937 279 Q CA -1.785 54.042 55.803 0.040 0.000 0.914 279 Q CB 0.341 29.055 28.738 -0.040 0.000 1.339 279 Q HN 0.362 nan 8.270 nan 0.000 0.417 280 P HA -0.044 nan 4.420 nan 0.000 0.271 280 P C -0.574 176.790 177.300 0.107 0.000 1.220 280 P CA 0.041 63.252 63.100 0.185 0.000 0.768 280 P CB 1.023 32.669 31.700 -0.090 0.000 0.848 281 D N 3.679 124.139 120.400 0.099 0.000 2.441 281 D HA 0.044 4.686 4.640 0.004 0.000 0.221 281 D C 1.446 177.786 176.300 0.066 0.000 1.156 281 D CA -0.382 53.658 54.000 0.067 0.000 0.896 281 D CB 0.297 41.123 40.800 0.043 0.000 1.028 281 D HN 0.330 nan 8.370 nan 0.000 0.509 282 L N 2.363 123.575 121.223 -0.020 0.000 2.351 282 L HA -0.120 4.223 4.340 0.004 0.000 0.220 282 L C 1.498 178.250 176.870 -0.196 0.000 1.127 282 L CA 1.613 56.346 54.840 -0.179 0.000 0.786 282 L CB -0.025 41.829 42.059 -0.343 0.000 0.914 282 L HN 0.284 nan 8.230 nan 0.000 0.443 283 A N -0.557 122.220 122.820 -0.071 0.000 2.195 283 A HA 0.020 4.343 4.320 0.004 0.000 0.210 283 A C 2.275 179.973 177.584 0.190 0.000 1.165 283 A CA 0.599 52.640 52.037 0.007 0.000 0.806 283 A CB -0.119 18.873 19.000 -0.014 0.000 0.847 283 A HN 0.479 nan 8.150 nan 0.000 0.482 284 K N -2.647 117.846 120.400 0.155 0.000 2.168 284 K HA 0.108 4.430 4.320 0.004 0.000 0.201 284 K C -0.174 176.543 176.600 0.195 0.000 1.049 284 K CA 0.446 56.798 56.287 0.108 0.000 0.974 284 K CB 0.253 32.648 32.500 -0.175 0.000 0.792 284 K HN 0.511 nan 8.250 nan 0.000 0.463 285 W N -0.972 120.332 121.300 0.007 0.000 3.217 285 W HA 0.343 5.006 4.660 0.005 0.000 0.323 285 W C 0.347 176.857 176.519 -0.016 0.000 1.216 285 W CA 0.172 57.546 57.345 0.049 0.000 1.194 285 W CB 1.284 30.801 29.460 0.095 0.000 1.397 285 W HN 0.319 nan 8.180 nan 0.000 0.537 286 G N 2.391 110.159 108.800 -1.720 0.000 2.530 286 G HA2 -0.011 3.951 3.960 0.004 0.000 0.247 286 G HA3 -0.011 3.951 3.960 0.004 0.000 0.247 286 G C 1.239 175.350 174.900 -1.314 0.000 1.067 286 G CA 1.540 45.436 45.100 -2.006 0.000 0.650 286 G HN 2.252 nan 8.290 nan 0.000 0.531 287 G N -0.862 107.470 108.800 -0.781 0.000 2.569 287 G HA2 -0.065 3.898 3.960 0.004 0.000 0.259 287 G HA3 -0.065 3.898 3.960 0.004 0.000 0.259 287 G C 0.610 175.149 174.900 -0.601 0.000 1.263 287 G CA 0.698 45.415 45.100 -0.638 0.000 0.928 287 G HN 1.014 nan 8.290 nan 0.000 0.572 288 F N 1.052 120.822 119.950 -0.301 0.000 2.128 288 F HA 0.039 4.570 4.527 0.007 0.000 0.295 288 F C 3.216 178.856 175.800 -0.267 0.000 1.100 288 F CA 2.030 59.917 58.000 -0.189 0.000 1.260 288 F CB -0.873 38.111 39.000 -0.025 0.000 1.009 288 F HN 0.363 nan 8.300 nan 0.000 0.476 289 S N 0.066 115.673 115.700 -0.154 0.000 2.380 289 S HA -0.217 4.255 4.470 0.004 0.000 0.229 289 S C 2.373 176.742 174.600 -0.385 0.000 1.043 289 S CA 1.502 59.549 58.200 -0.255 0.000 1.038 289 S CB -1.171 61.821 63.200 -0.348 0.000 0.872 289 S HN 0.530 nan 8.310 nan 0.000 0.456 290 G N -0.271 108.073 108.800 -0.759 0.000 2.441 290 G HA2 -0.100 3.863 3.960 0.004 0.000 0.212 290 G HA3 -0.100 3.863 3.960 0.004 0.000 0.212 290 G C 1.476 176.174 174.900 -0.336 0.000 1.164 290 G CA 0.770 45.471 45.100 -0.664 0.000 0.811 290 G HN 0.585 nan 8.290 nan 0.000 0.535 291 C N 0.176 119.257 119.300 -0.366 0.000 2.464 291 C HA 0.160 4.622 4.460 0.004 0.000 0.278 291 C C 2.624 177.488 174.990 -0.209 0.000 1.375 291 C CA 0.193 59.070 59.018 -0.235 0.000 1.761 291 C CB -0.722 26.885 27.740 -0.222 0.000 1.944 291 C HN 0.416 nan 8.230 nan 0.000 0.509 292 L N 2.450 123.604 121.223 -0.116 0.000 1.989 292 L HA -0.040 4.303 4.340 0.004 0.000 0.211 292 L C -0.625 176.166 176.870 -0.132 0.000 1.071 292 L CA 2.469 57.257 54.840 -0.086 0.000 0.749 292 L CB -1.839 40.217 42.059 -0.006 0.000 0.890 292 L HN 0.096 nan 8.230 nan 0.000 0.431 293 P HA -0.188 nan 4.420 nan 0.000 0.215 293 P C 2.115 179.348 177.300 -0.113 0.000 1.157 293 P CA 2.107 65.161 63.100 -0.078 0.000 0.874 293 P CB -0.255 31.428 31.700 -0.028 0.000 0.790 294 V N -0.699 119.122 119.914 -0.155 0.000 2.515 294 V HA -0.182 3.941 4.120 0.004 0.000 0.250 294 V C 2.014 177.926 176.094 -0.303 0.000 1.058 294 V CA 2.305 64.468 62.300 -0.228 0.000 1.064 294 V CB -1.454 30.117 31.823 -0.421 0.000 0.675 294 V HN 0.059 nan 8.190 nan 0.000 0.461 295 A N 0.183 122.749 122.820 -0.424 0.000 1.898 295 A HA -0.108 4.215 4.320 0.004 0.000 0.216 295 A C 2.362 179.734 177.584 -0.353 0.000 1.181 295 A CA 1.631 53.273 52.037 -0.658 0.000 0.620 295 A CB -0.577 17.718 19.000 -1.176 0.000 0.819 295 A HN 0.587 nan 8.150 nan 0.000 0.442 296 R N -0.555 119.810 120.500 -0.225 0.000 2.075 296 R HA -0.065 4.278 4.340 0.004 0.000 0.232 296 R C 2.508 178.759 176.300 -0.082 0.000 1.126 296 R CA 1.165 57.196 56.100 -0.115 0.000 0.963 296 R CB -0.441 29.810 30.300 -0.081 0.000 0.858 296 R HN 0.506 nan 8.270 nan 0.000 0.435 297 A N 0.615 123.383 122.820 -0.088 0.000 1.908 297 A HA -0.141 4.182 4.320 0.004 0.000 0.218 297 A C 2.335 179.895 177.584 -0.041 0.000 1.181 297 A CA 1.514 53.520 52.037 -0.052 0.000 0.627 297 A CB -0.619 18.355 19.000 -0.044 0.000 0.818 297 A HN 0.131 nan 8.150 nan 0.000 0.445 298 V N -0.495 119.382 119.914 -0.062 0.000 2.295 298 V HA -0.235 3.888 4.120 0.004 0.000 0.246 298 V C 2.579 178.674 176.094 0.002 0.000 1.049 298 V CA 2.065 64.351 62.300 -0.024 0.000 1.024 298 V CB -0.684 31.125 31.823 -0.023 0.000 0.648 298 V HN 0.381 nan 8.190 nan 0.000 0.447 299 V N 0.129 120.043 119.914 0.000 0.000 2.427 299 V HA -0.207 3.915 4.120 0.004 0.000 0.248 299 V C 2.643 178.747 176.094 0.016 0.000 1.051 299 V CA 1.857 64.174 62.300 0.028 0.000 1.048 299 V CB -0.985 30.863 31.823 0.041 0.000 0.666 299 V HN 0.561 nan 8.190 nan 0.000 0.456 300 A N -0.006 122.815 122.820 0.002 0.000 1.969 300 A HA 0.001 4.324 4.320 0.004 0.000 0.218 300 A C 2.185 179.772 177.584 0.006 0.000 1.169 300 A CA 1.581 53.620 52.037 0.003 0.000 0.635 300 A CB -0.528 18.469 19.000 -0.005 0.000 0.810 300 A HN 0.581 nan 8.150 nan 0.000 0.445 301 A N -1.408 121.415 122.820 0.005 0.000 2.252 301 A HA 0.408 4.731 4.320 0.004 0.000 0.207 301 A C 1.668 179.260 177.584 0.014 0.000 1.194 301 A CA 1.083 53.125 52.037 0.008 0.000 0.809 301 A CB -1.194 17.810 19.000 0.006 0.000 0.814 301 A HN 1.869 nan 8.150 nan 0.000 0.482 302 G N -1.398 107.413 108.800 0.018 0.000 2.147 302 G HA2 -0.213 3.749 3.960 0.004 0.000 0.244 302 G HA3 -0.213 3.749 3.960 0.004 0.000 0.244 302 G C -0.030 174.885 174.900 0.027 0.000 1.005 302 G CA 0.546 45.659 45.100 0.022 0.000 0.713 302 G HN 0.494 nan 8.290 nan 0.000 0.515 303 L N -1.071 120.168 121.223 0.027 0.000 2.303 303 L HA 0.706 5.049 4.340 0.004 0.000 0.266 303 L C 0.949 177.843 176.870 0.040 0.000 1.011 303 L CA -1.400 53.457 54.840 0.028 0.000 0.818 303 L CB 1.279 43.349 42.059 0.018 0.000 1.326 303 L HN 0.030 nan 8.230 nan 0.000 0.435 304 R N 0.356 120.874 120.500 0.029 0.000 2.410 304 R HA 0.286 4.628 4.340 0.004 0.000 0.288 304 R C -1.369 174.963 176.300 0.055 0.000 1.051 304 R CA -0.553 55.567 56.100 0.035 0.000 1.021 304 R CB 1.057 31.357 30.300 -0.001 0.000 1.032 304 R HN 0.392 nan 8.270 nan 0.000 0.481 305 Y N 2.627 122.899 120.300 -0.047 0.000 2.464 305 Y HA 0.301 4.853 4.550 0.004 0.000 0.326 305 Y C -1.199 174.680 175.900 -0.034 0.000 0.969 305 Y CA -1.530 56.538 58.100 -0.054 0.000 1.270 305 Y CB 0.824 39.266 38.460 -0.029 0.000 1.103 305 Y HN 0.540 nan 8.280 nan 0.000 0.491 306 C N 9.949 129.006 119.300 -0.405 0.000 2.409 306 C HA 0.428 4.890 4.460 0.004 0.000 0.297 306 C C -2.232 172.585 174.990 -0.288 0.000 1.083 306 C CA -1.387 57.415 59.018 -0.360 0.000 1.515 306 C CB 0.046 27.647 27.740 -0.230 0.000 1.869 306 C HN 0.655 nan 8.230 nan 0.000 0.413 307 P HA 0.446 nan 4.420 nan 0.000 0.276 307 P C -1.096 176.220 177.300 0.027 0.000 1.261 307 P CA 0.186 63.154 63.100 -0.219 0.000 0.800 307 P CB 0.991 32.563 31.700 -0.212 0.000 1.066 308 H N -2.510 116.635 119.070 0.125 0.000 3.123 308 H HA 0.563 5.122 4.556 0.004 0.000 0.346 308 H C -2.210 173.236 175.328 0.196 0.000 1.138 308 H CA -0.878 55.238 56.048 0.113 0.000 1.273 308 H CB 0.265 30.108 29.762 0.136 0.000 1.926 308 H HN 0.316 nan 8.280 nan 0.000 0.524 309 Y N 3.697 124.123 120.300 0.210 0.000 2.346 309 Y HA 0.396 4.949 4.550 0.005 0.000 0.332 309 Y C -0.932 175.075 175.900 0.178 0.000 0.985 309 Y CA -1.484 56.739 58.100 0.206 0.000 1.112 309 Y CB 1.467 39.999 38.460 0.121 0.000 1.170 309 Y HN 0.728 nan 8.280 nan 0.000 0.447 310 L N 5.924 126.901 121.223 -0.410 0.000 2.791 310 L HA 0.403 4.745 4.340 0.004 0.000 0.239 310 L C 1.060 177.671 176.870 -0.432 0.000 1.203 310 L CA 0.292 54.967 54.840 -0.275 0.000 1.002 310 L CB -0.797 41.209 42.059 -0.088 0.000 1.295 310 L HN 0.809 nan 8.230 nan 0.000 0.504 311 G N -0.443 107.829 108.800 -0.880 0.000 2.882 311 G HA2 0.606 4.568 3.960 0.004 0.000 0.164 311 G HA3 0.606 4.568 3.960 0.004 0.000 0.164 311 G C 0.021 174.948 174.900 0.045 0.000 1.429 311 G CA 0.281 45.153 45.100 -0.380 0.000 1.059 311 G HN 0.296 nan 8.290 nan 0.000 0.581 312 A N -1.363 121.604 122.820 0.245 0.000 2.249 312 A HA 0.574 4.896 4.320 0.004 0.000 0.281 312 A C 1.852 179.545 177.584 0.182 0.000 1.127 312 A CA 0.657 52.778 52.037 0.141 0.000 0.833 312 A CB 0.003 19.051 19.000 0.080 0.000 1.140 312 A HN 1.229 nan 8.150 nan 0.000 0.502 313 G N -0.681 108.154 108.800 0.058 0.000 2.418 313 G HA2 -0.130 3.833 3.960 0.004 0.000 0.217 313 G HA3 -0.130 3.833 3.960 0.004 0.000 0.217 313 G C 1.197 176.115 174.900 0.030 0.000 1.158 313 G CA 1.263 46.387 45.100 0.039 0.000 0.771 313 G HN 0.520 nan 8.290 nan 0.000 0.545 314 I N 1.916 122.486 120.570 0.001 0.000 2.163 314 I HA -0.139 4.034 4.170 0.004 0.000 0.243 314 I C 3.041 179.118 176.117 -0.066 0.000 1.085 314 I CA 1.584 62.876 61.300 -0.013 0.000 1.347 314 I CB -1.584 36.421 38.000 0.008 0.000 1.044 314 I HN 0.242 nan 8.210 nan 0.000 0.408 315 G N 0.685 109.373 108.800 -0.186 0.000 2.422 315 G HA2 -0.229 3.734 3.960 0.004 0.000 0.218 315 G HA3 -0.229 3.734 3.960 0.004 0.000 0.218 315 G C 1.753 176.350 174.900 -0.505 0.000 1.146 315 G CA 0.540 45.254 45.100 -0.643 0.000 0.769 315 G HN 0.315 nan 8.290 nan 0.000 0.547 316 L N 0.237 121.413 121.223 -0.079 0.000 2.027 316 L HA -0.016 4.327 4.340 0.004 0.000 0.206 316 L C 2.788 179.706 176.870 0.081 0.000 1.074 316 L CA 1.757 56.674 54.840 0.127 0.000 0.745 316 L CB -0.526 41.658 42.059 0.209 0.000 0.898 316 L HN 0.150 nan 8.230 nan 0.000 0.433 317 Q N -0.299 119.551 119.800 0.083 0.000 2.084 317 Q HA -0.162 4.181 4.340 0.004 0.000 0.202 317 Q C 2.277 178.447 176.000 0.282 0.000 0.978 317 Q CA 1.707 57.609 55.803 0.165 0.000 0.844 317 Q CB -0.552 28.282 28.738 0.160 0.000 0.898 317 Q HN 0.680 nan 8.270 nan 0.000 0.426 318 A N 0.639 123.559 122.820 0.167 0.000 1.940 318 A HA -0.160 4.162 4.320 0.004 0.000 0.219 318 A C 2.425 180.148 177.584 0.232 0.000 1.176 318 A CA 1.847 54.021 52.037 0.229 0.000 0.631 318 A CB -0.412 18.552 19.000 -0.059 0.000 0.814 318 A HN 0.313 nan 8.150 nan 0.000 0.446 319 S N -0.223 115.529 115.700 0.087 0.000 2.387 319 S HA 0.062 4.534 4.470 0.004 0.000 0.226 319 S C 2.286 176.984 174.600 0.163 0.000 1.026 319 S CA 0.946 59.211 58.200 0.109 0.000 0.972 319 S CB -0.398 62.849 63.200 0.078 0.000 0.814 319 S HN 0.790 nan 8.310 nan 0.000 0.477 320 A N 1.788 124.687 122.820 0.133 0.000 1.902 320 A HA -0.171 4.152 4.320 0.004 0.000 0.217 320 A C 1.885 179.497 177.584 0.047 0.000 1.181 320 A CA 1.331 53.397 52.037 0.048 0.000 0.623 320 A CB -0.843 18.141 19.000 -0.026 0.000 0.818 320 A HN 0.532 nan 8.150 nan 0.000 0.443 321 H N -1.313 117.886 119.070 0.215 0.000 2.357 321 H HA -0.101 4.457 4.556 0.003 0.000 0.301 321 H C 2.116 177.631 175.328 0.311 0.000 1.082 321 H CA 1.780 57.995 56.048 0.278 0.000 1.342 321 H CB -0.285 29.649 29.762 0.286 0.000 1.389 321 H HN 0.419 nan 8.280 nan 0.000 0.511 322 L N 1.095 122.622 121.223 0.507 0.000 2.017 322 L HA -0.139 4.204 4.340 0.004 0.000 0.208 322 L C 2.398 179.492 176.870 0.374 0.000 1.073 322 L CA 1.190 56.309 54.840 0.466 0.000 0.745 322 L CB -0.979 41.371 42.059 0.484 0.000 0.894 322 L HN 0.130 nan 8.230 nan 0.000 0.432 323 L N -0.095 121.320 121.223 0.321 0.000 2.127 323 L HA -0.095 4.247 4.340 0.004 0.000 0.211 323 L C 2.419 179.383 176.870 0.158 0.000 1.089 323 L CA 2.038 57.026 54.840 0.247 0.000 0.757 323 L CB -1.090 41.004 42.059 0.059 0.000 0.899 323 L HN 0.299 nan 8.230 nan 0.000 0.434 324 A N -0.685 122.198 122.820 0.105 0.000 1.930 324 A HA 0.020 4.343 4.320 0.004 0.000 0.217 324 A C 2.408 180.055 177.584 0.105 0.000 1.175 324 A CA 1.388 53.430 52.037 0.008 0.000 0.627 324 A CB -0.977 17.938 19.000 -0.141 0.000 0.815 324 A HN 0.534 nan 8.150 nan 0.000 0.443 325 A N -0.885 122.067 122.820 0.219 0.000 2.014 325 A HA 0.249 4.572 4.320 0.004 0.000 0.218 325 A C 0.876 178.551 177.584 0.151 0.000 1.163 325 A CA 1.392 53.564 52.037 0.225 0.000 0.652 325 A CB -0.175 18.964 19.000 0.232 0.000 0.808 325 A HN 0.532 nan 8.150 nan 0.000 0.449 326 V N 1.430 121.444 119.914 0.166 0.000 2.361 326 V HA 0.155 4.277 4.120 0.004 0.000 0.252 326 V C -1.569 174.635 176.094 0.183 0.000 0.986 326 V CA -0.743 61.643 62.300 0.143 0.000 1.033 326 V CB 0.891 32.773 31.823 0.098 0.000 1.282 326 V HN 0.319 nan 8.190 nan 0.000 0.514 327 P HA -0.079 nan 4.420 nan 0.000 0.216 327 P C 0.794 178.145 177.300 0.085 0.000 1.154 327 P CA 2.040 65.186 63.100 0.077 0.000 0.865 327 P CB 0.473 32.196 31.700 0.039 0.000 0.789 328 G N -1.656 107.197 108.800 0.087 0.000 2.576 328 G HA2 -0.015 3.948 3.960 0.004 0.000 0.686 328 G HA3 -0.015 3.948 3.960 0.004 0.000 0.686 328 G C -0.199 174.733 174.900 0.053 0.000 1.242 328 G CA -0.426 44.722 45.100 0.080 0.000 0.819 328 G HN 0.210 nan 8.290 nan 0.000 0.655 329 L N 0.642 121.893 121.223 0.047 0.000 2.738 329 L HA 0.433 4.776 4.340 0.004 0.000 0.175 329 L C 2.986 179.877 176.870 0.034 0.000 1.125 329 L CA 0.795 55.656 54.840 0.035 0.000 0.857 329 L CB -1.187 40.890 42.059 0.030 0.000 1.300 329 L HN 0.873 nan 8.230 nan 0.000 0.499 330 A N 0.277 123.119 122.820 0.037 0.000 1.829 330 A HA -0.054 4.268 4.320 0.004 0.000 0.216 330 A C 1.081 178.690 177.584 0.041 0.000 1.207 330 A CA 1.609 53.668 52.037 0.037 0.000 0.622 330 A CB -0.604 18.419 19.000 0.038 0.000 0.846 330 A HN 0.382 nan 8.150 nan 0.000 0.447 331 S N 0.466 116.196 115.700 0.050 0.000 2.502 331 S HA 0.544 5.017 4.470 0.004 0.000 0.304 331 S C -2.841 171.795 174.600 0.060 0.000 1.097 331 S CA -1.003 57.231 58.200 0.056 0.000 1.045 331 S CB 1.498 64.740 63.200 0.070 0.000 1.019 331 S HN 0.174 nan 8.310 nan 0.000 0.481 332 P HA 0.112 nan 4.420 nan 0.000 0.261 332 P C 0.269 177.607 177.300 0.062 0.000 1.183 332 P CA 0.192 63.321 63.100 0.049 0.000 0.761 332 P CB 0.132 31.854 31.700 0.037 0.000 0.785 333 G N 3.340 112.171 108.800 0.052 0.000 2.483 333 G HA2 0.430 4.393 3.960 0.004 0.000 0.248 333 G HA3 0.430 4.393 3.960 0.004 0.000 0.248 333 G C -0.845 174.085 174.900 0.051 0.000 1.248 333 G CA -0.467 44.650 45.100 0.027 0.000 0.838 333 G HN 0.422 nan 8.290 nan 0.000 0.566 334 L N 2.250 123.537 121.223 0.108 0.000 2.362 334 L HA 0.382 4.725 4.340 0.004 0.000 0.275 334 L C -0.324 176.705 176.870 0.267 0.000 0.998 334 L CA -0.985 53.986 54.840 0.218 0.000 0.820 334 L CB 2.069 44.333 42.059 0.341 0.000 1.270 334 L HN 0.285 nan 8.230 nan 0.000 0.415 335 L N 2.887 124.209 121.223 0.164 0.000 2.276 335 L HA 0.540 4.882 4.340 0.004 0.000 0.286 335 L C 0.174 177.009 176.870 -0.058 0.000 1.061 335 L CA 0.085 54.973 54.840 0.080 0.000 0.807 335 L CB 1.355 43.432 42.059 0.030 0.000 1.177 335 L HN 0.704 nan 8.230 nan 0.000 0.429 336 G N 5.009 113.669 108.800 -0.233 0.000 2.353 336 G HA2 0.497 4.460 3.960 0.004 0.000 0.284 336 G HA3 0.497 4.460 3.960 0.004 0.000 0.284 336 G C -0.833 173.832 174.900 -0.391 0.000 1.172 336 G CA -0.317 44.192 45.100 -0.984 0.000 0.854 336 G HN 0.488 nan 8.290 nan 0.000 0.485 337 V N 2.796 122.463 119.914 -0.411 0.000 2.495 337 V HA 0.211 4.334 4.120 0.004 0.000 0.298 337 V C -0.074 175.892 176.094 -0.213 0.000 1.031 337 V CA -1.133 61.063 62.300 -0.172 0.000 0.871 337 V CB 1.808 33.616 31.823 -0.025 0.000 0.988 337 V HN 0.766 nan 8.190 nan 0.000 0.432 338 D N 2.984 123.313 120.400 -0.118 0.000 2.531 338 D HA 0.054 4.697 4.640 0.004 0.000 0.239 338 D C 1.021 177.247 176.300 -0.123 0.000 1.144 338 D CA 0.770 54.707 54.000 -0.105 0.000 0.869 338 D CB 1.757 42.514 40.800 -0.071 0.000 1.160 338 D HN 0.702 nan 8.370 nan 0.000 0.484 339 A N 4.544 127.291 122.820 -0.123 0.000 2.014 339 A HA -0.111 4.211 4.320 0.004 0.000 0.218 339 A C 0.930 178.482 177.584 -0.055 0.000 1.163 339 A CA 0.584 52.548 52.037 -0.122 0.000 0.652 339 A CB -0.196 18.756 19.000 -0.080 0.000 0.808 339 A HN 0.643 nan 8.150 nan 0.000 0.449 340 N N 1.137 119.816 118.700 -0.035 0.000 2.483 340 N HA 0.319 5.062 4.740 0.004 0.000 0.269 340 N C -0.999 174.499 175.510 -0.020 0.000 1.209 340 N CA -0.334 52.706 53.050 -0.017 0.000 0.969 340 N CB 0.381 38.863 38.487 -0.008 0.000 1.173 340 N HN 0.131 nan 8.380 nan 0.000 0.475 341 D N 0.530 120.923 120.400 -0.012 0.000 2.390 341 D HA 0.084 4.727 4.640 0.004 0.000 0.249 341 D C -0.352 175.916 176.300 -0.052 0.000 1.144 341 D CA 0.622 54.607 54.000 -0.026 0.000 0.880 341 D CB 0.010 40.803 40.800 -0.012 0.000 1.182 341 D HN 0.507 nan 8.370 nan 0.000 0.451 342 N N 2.561 121.199 118.700 -0.102 0.000 2.812 342 N HA 0.120 4.863 4.740 0.004 0.000 0.262 342 N C -2.411 172.950 175.510 -0.249 0.000 1.241 342 N CA -1.183 51.767 53.050 -0.167 0.000 0.854 342 N CB 1.632 40.060 38.487 -0.100 0.000 1.506 342 N HN -0.129 nan 8.380 nan 0.000 0.576 343 P HA -0.103 nan 4.420 nan 0.000 0.218 343 P C 1.292 178.405 177.300 -0.312 0.000 1.148 343 P CA 0.770 63.610 63.100 -0.433 0.000 0.822 343 P CB 0.333 31.587 31.700 -0.742 0.000 0.784 344 L N -1.125 119.922 121.223 -0.294 0.000 2.191 344 L HA -0.166 4.177 4.340 0.004 0.000 0.212 344 L C 2.715 179.513 176.870 -0.121 0.000 1.103 344 L CA 1.306 56.039 54.840 -0.178 0.000 0.769 344 L CB -0.490 41.515 42.059 -0.091 0.000 0.908 344 L HN 0.015 nan 8.230 nan 0.000 0.438 345 R N -0.392 120.046 120.500 -0.102 0.000 2.087 345 R HA -0.035 4.307 4.340 0.004 0.000 0.216 345 R C 2.319 178.586 176.300 -0.057 0.000 1.114 345 R CA 1.235 57.308 56.100 -0.045 0.000 1.002 345 R CB 0.006 30.294 30.300 -0.021 0.000 0.903 345 R HN 0.154 nan 8.270 nan 0.000 0.445 346 S N 1.564 117.215 115.700 -0.083 0.000 2.382 346 S HA -0.047 4.425 4.470 0.004 0.000 0.228 346 S C 1.846 176.395 174.600 -0.085 0.000 1.027 346 S CA 0.978 59.135 58.200 -0.072 0.000 0.991 346 S CB -0.118 63.034 63.200 -0.079 0.000 0.823 346 S HN 0.299 nan 8.310 nan 0.000 0.469 347 L N 0.473 121.624 121.223 -0.120 0.000 2.552 347 L HA 0.155 4.497 4.340 0.004 0.000 0.227 347 L C 0.958 177.751 176.870 -0.129 0.000 1.146 347 L CA 0.671 55.435 54.840 -0.127 0.000 0.858 347 L CB -0.175 41.788 42.059 -0.159 0.000 0.969 347 L HN 0.251 nan 8.230 nan 0.000 0.451 348 L N -1.212 119.943 121.223 -0.113 0.000 3.229 348 L HA 0.185 4.527 4.340 0.004 0.000 0.286 348 L C 0.233 177.068 176.870 -0.059 0.000 1.239 348 L CA -0.028 54.746 54.840 -0.110 0.000 1.035 348 L CB 0.566 42.546 42.059 -0.132 0.000 1.408 348 L HN 0.092 nan 8.230 nan 0.000 0.593 349 S N -1.813 113.864 115.700 -0.038 0.000 2.216 349 S HA 0.337 4.809 4.470 0.004 0.000 0.156 349 S C -1.993 172.603 174.600 -0.008 0.000 1.665 349 S CA -0.913 57.284 58.200 -0.006 0.000 1.262 349 S CB 0.763 63.973 63.200 0.017 0.000 1.207 349 S HN -0.084 nan 8.310 nan 0.000 0.427 350 P HA -0.050 nan 4.420 nan 0.000 0.225 350 P C 1.510 178.807 177.300 -0.005 0.000 1.148 350 P CA 1.075 64.168 63.100 -0.012 0.000 0.779 350 P CB -0.033 31.660 31.700 -0.012 0.000 0.780 351 A N 0.207 123.030 122.820 0.005 0.000 2.019 351 A HA -0.117 4.206 4.320 0.004 0.000 0.219 351 A C 2.303 179.875 177.584 -0.020 0.000 1.164 351 A CA 0.985 53.018 52.037 -0.007 0.000 0.644 351 A CB -1.476 17.518 19.000 -0.010 0.000 0.805 351 A HN 0.162 nan 8.150 nan 0.000 0.449 352 L N -1.010 120.204 121.223 -0.014 0.000 2.201 352 L HA -0.153 4.189 4.340 0.004 0.000 0.212 352 L C 2.839 179.686 176.870 -0.039 0.000 1.105 352 L CA 0.778 55.604 54.840 -0.023 0.000 0.775 352 L CB -0.390 41.669 42.059 -0.001 0.000 0.913 352 L HN 0.445 nan 8.230 nan 0.000 0.440 353 A N -0.423 122.378 122.820 -0.032 0.000 2.216 353 A HA -0.135 4.187 4.320 0.004 0.000 0.214 353 A C 2.123 179.680 177.584 -0.044 0.000 1.160 353 A CA 1.651 53.666 52.037 -0.037 0.000 0.725 353 A CB -0.661 18.320 19.000 -0.032 0.000 0.784 353 A HN 0.498 nan 8.150 nan 0.000 0.472 354 T N -3.010 111.520 114.554 -0.041 0.000 3.069 354 T HA 0.276 4.629 4.350 0.004 0.000 0.252 354 T C 0.453 175.135 174.700 -0.029 0.000 1.053 354 T CA -0.261 61.816 62.100 -0.038 0.000 0.964 354 T CB -0.525 68.324 68.868 -0.031 0.000 1.005 354 T HN 0.188 nan 8.240 nan 0.000 0.532 355 L N 3.568 124.760 121.223 -0.052 0.000 2.745 355 L HA 0.310 4.652 4.340 0.004 0.000 0.273 355 L C -0.774 176.098 176.870 0.004 0.000 1.156 355 L CA 0.488 55.281 54.840 -0.078 0.000 0.982 355 L CB -1.087 40.866 42.059 -0.177 0.000 1.295 355 L HN 0.435 nan 8.230 nan 0.000 0.483 356 H N 4.823 123.824 119.070 -0.115 0.000 2.934 356 H HA 0.272 4.831 4.556 0.004 0.000 0.340 356 H C -0.460 174.818 175.328 -0.083 0.000 1.008 356 H CA -0.260 55.735 56.048 -0.089 0.000 1.317 356 H CB 0.781 30.505 29.762 -0.064 0.000 1.670 356 H HN 0.699 nan 8.280 nan 0.000 0.516 357 E N 3.904 123.926 120.200 -0.297 0.000 2.246 357 E HA -0.195 4.157 4.350 0.004 0.000 0.211 357 E C 0.493 177.000 176.600 -0.154 0.000 1.278 357 E CA 1.157 57.394 56.400 -0.271 0.000 0.694 357 E CB -1.546 27.935 29.700 -0.365 0.000 1.166 357 E HN 1.302 nan 8.360 nan 0.000 0.370 358 G N 0.866 109.580 108.800 -0.143 0.000 2.244 358 G HA2 -0.357 3.606 3.960 0.004 0.000 0.274 358 G HA3 -0.357 3.606 3.960 0.004 0.000 0.274 358 G C 0.281 175.120 174.900 -0.101 0.000 1.002 358 G CA 1.221 46.242 45.100 -0.131 0.000 0.740 358 G HN 0.502 nan 8.290 nan 0.000 0.516 359 R N -0.727 119.713 120.500 -0.099 0.000 2.771 359 R HA 0.774 5.117 4.340 0.004 0.000 0.274 359 R C 0.181 176.442 176.300 -0.065 0.000 0.987 359 R CA -0.657 55.401 56.100 -0.071 0.000 0.908 359 R CB 1.793 32.055 30.300 -0.063 0.000 1.213 359 R HN 0.466 nan 8.270 nan 0.000 0.468 360 I N -2.127 118.404 120.570 -0.065 0.000 3.042 360 I HA 0.701 4.874 4.170 0.004 0.000 0.310 360 I C -0.653 175.413 176.117 -0.084 0.000 1.117 360 I CA -0.832 60.430 61.300 -0.064 0.000 1.003 360 I CB 2.717 40.680 38.000 -0.062 0.000 1.228 360 I HN 0.606 nan 8.210 nan 0.000 0.443 361 T N 1.306 115.810 114.554 -0.082 0.000 2.848 361 T HA 0.508 4.860 4.350 0.004 0.000 0.285 361 T C 0.566 175.205 174.700 -0.101 0.000 0.995 361 T CA -0.814 61.217 62.100 -0.115 0.000 0.970 361 T CB 1.862 70.677 68.868 -0.088 0.000 0.976 361 T HN 0.674 nan 8.240 nan 0.000 0.441 362 L N 1.927 123.054 121.223 -0.159 0.000 2.313 362 L HA 0.330 4.672 4.340 0.004 0.000 0.214 362 L C 1.755 178.676 176.870 0.086 0.000 1.119 362 L CA 0.699 55.487 54.840 -0.088 0.000 0.809 362 L CB -1.230 40.676 42.059 -0.254 0.000 0.933 362 L HN 1.217 nan 8.230 nan 0.000 0.449 363 G N -0.031 108.821 108.800 0.087 0.000 2.750 363 G HA2 -0.225 3.738 3.960 0.004 0.000 0.228 363 G HA3 -0.225 3.738 3.960 0.004 0.000 0.228 363 G C 0.500 175.603 174.900 0.339 0.000 1.367 363 G CA -0.346 44.853 45.100 0.164 0.000 0.871 363 G HN 0.307 nan 8.290 nan 0.000 0.560 364 G N -0.165 108.780 108.800 0.242 0.000 3.126 364 G HA2 0.651 4.613 3.960 0.004 0.000 0.224 364 G HA3 0.651 4.613 3.960 0.004 0.000 0.224 364 G C 0.932 175.905 174.900 0.122 0.000 1.142 364 G CA 1.310 46.541 45.100 0.218 0.000 0.759 364 G HN 2.043 nan 8.290 nan 0.000 0.550 365 A N 1.959 124.854 122.820 0.126 0.000 2.565 365 A HA 0.439 4.762 4.320 0.004 0.000 0.237 365 A C -1.554 176.054 177.584 0.040 0.000 1.053 365 A CA -0.628 51.453 52.037 0.072 0.000 0.755 365 A CB 0.083 19.130 19.000 0.078 0.000 0.980 365 A HN 0.236 nan 8.150 nan 0.000 0.506 366 P HA 0.238 nan 4.420 nan 0.000 0.267 366 P C 1.043 178.276 177.300 -0.111 0.000 1.200 366 P CA 1.328 64.383 63.100 -0.074 0.000 0.772 366 P CB 0.507 32.169 31.700 -0.064 0.000 0.855 367 G N 2.385 111.059 108.800 -0.210 0.000 2.611 367 G HA2 -0.345 3.618 3.960 0.004 0.000 0.301 367 G HA3 -0.345 3.618 3.960 0.004 0.000 0.301 367 G C 0.937 175.606 174.900 -0.384 0.000 1.233 367 G CA 0.447 45.371 45.100 -0.294 0.000 0.993 367 G HN 0.483 nan 8.290 nan 0.000 0.553 368 L N 1.991 123.065 121.223 -0.248 0.000 2.376 368 L HA 0.310 4.653 4.340 0.004 0.000 0.219 368 L C 2.514 179.403 176.870 0.033 0.000 1.133 368 L CA 1.325 56.051 54.840 -0.189 0.000 0.816 368 L CB -0.480 41.569 42.059 -0.016 0.000 0.933 368 L HN 2.024 nan 8.230 nan 0.000 0.449 369 G N -0.016 108.796 108.800 0.020 0.000 2.141 369 G HA2 -0.228 3.734 3.960 0.004 0.000 0.242 369 G HA3 -0.228 3.734 3.960 0.004 0.000 0.242 369 G C -0.131 174.792 174.900 0.038 0.000 0.982 369 G CA 0.136 45.289 45.100 0.088 0.000 0.662 369 G HN 0.221 nan 8.290 nan 0.000 0.527 370 V N -0.588 119.323 119.914 -0.005 0.000 3.147 370 V HA 0.825 4.948 4.120 0.004 0.000 0.299 370 V C -0.944 175.067 176.094 -0.138 0.000 1.302 370 V CA 0.321 62.584 62.300 -0.062 0.000 1.015 370 V CB 2.436 34.219 31.823 -0.067 0.000 1.086 370 V HN 0.569 nan 8.190 nan 0.000 0.437 371 T N 6.914 121.340 114.554 -0.215 0.000 2.840 371 T HA 0.556 4.909 4.350 0.004 0.000 0.287 371 T C -2.807 171.583 174.700 -0.515 0.000 0.991 371 T CA -0.754 61.104 62.100 -0.403 0.000 0.964 371 T CB 1.713 70.464 68.868 -0.195 0.000 0.954 371 T HN 0.778 nan 8.240 nan 0.000 0.438 372 P HA 0.232 nan 4.420 nan 0.000 0.272 372 P C -0.841 176.163 177.300 -0.494 0.000 1.223 372 P CA -0.216 62.486 63.100 -0.663 0.000 0.784 372 P CB 0.793 31.996 31.700 -0.829 0.000 0.923 373 D N 1.935 122.136 120.400 -0.333 0.000 2.485 373 D HA 0.146 4.788 4.640 0.004 0.000 0.256 373 D C 1.397 177.586 176.300 -0.186 0.000 1.141 373 D CA -0.412 53.463 54.000 -0.209 0.000 0.942 373 D CB -0.108 40.601 40.800 -0.151 0.000 1.003 373 D HN 0.172 nan 8.370 nan 0.000 0.507 374 L N 1.851 122.981 121.223 -0.155 0.000 1.997 374 L HA -0.253 4.090 4.340 0.004 0.000 0.216 374 L C 2.492 179.394 176.870 0.053 0.000 1.074 374 L CA 1.699 56.527 54.840 -0.020 0.000 0.763 374 L CB -0.733 41.325 42.059 -0.002 0.000 0.890 374 L HN 0.355 nan 8.230 nan 0.000 0.434 375 A N 0.149 122.982 122.820 0.022 0.000 1.873 375 A HA -0.273 4.050 4.320 0.004 0.000 0.218 375 A C 2.557 180.156 177.584 0.026 0.000 1.193 375 A CA 2.429 54.488 52.037 0.036 0.000 0.629 375 A CB -0.937 18.073 19.000 0.017 0.000 0.826 375 A HN 0.464 nan 8.150 nan 0.000 0.447 376 A N -0.513 122.296 122.820 -0.018 0.000 1.858 376 A HA -0.076 4.246 4.320 0.004 0.000 0.216 376 A C 2.221 179.785 177.584 -0.034 0.000 1.190 376 A CA 1.594 53.613 52.037 -0.031 0.000 0.617 376 A CB -0.731 18.232 19.000 -0.063 0.000 0.827 376 A HN 0.493 nan 8.150 nan 0.000 0.443 377 L N -1.201 119.961 121.223 -0.102 0.000 2.043 377 L HA -0.260 4.083 4.340 0.004 0.000 0.212 377 L C 2.925 179.820 176.870 0.042 0.000 1.075 377 L CA 1.849 56.581 54.840 -0.180 0.000 0.752 377 L CB -0.463 41.225 42.059 -0.618 0.000 0.891 377 L HN 0.377 nan 8.230 nan 0.000 0.432 378 R N -0.444 120.190 120.500 0.224 0.000 2.081 378 R HA -0.155 4.188 4.340 0.004 0.000 0.235 378 R C 2.424 178.816 176.300 0.153 0.000 1.131 378 R CA 1.392 57.670 56.100 0.296 0.000 0.960 378 R CB -0.501 29.946 30.300 0.244 0.000 0.856 378 R HN 0.382 nan 8.270 nan 0.000 0.436 379 A N 0.982 123.860 122.820 0.097 0.000 1.933 379 A HA -0.115 4.207 4.320 0.004 0.000 0.218 379 A C 2.299 179.926 177.584 0.071 0.000 1.175 379 A CA 1.693 53.769 52.037 0.064 0.000 0.628 379 A CB -0.651 18.372 19.000 0.040 0.000 0.814 379 A HN 0.410 nan 8.150 nan 0.000 0.444 380 A N -1.535 121.336 122.820 0.084 0.000 2.067 380 A HA 0.086 4.409 4.320 0.004 0.000 0.219 380 A C 1.348 179.048 177.584 0.194 0.000 1.158 380 A CA 0.996 53.111 52.037 0.130 0.000 0.661 380 A CB -0.827 18.238 19.000 0.108 0.000 0.801 380 A HN 0.540 nan 8.150 nan 0.000 0.452 381 C N 0.000 119.396 119.300 0.160 0.000 2.653 381 C HA 0.000 4.463 4.460 0.004 0.000 0.325 381 C CA 0.000 59.077 59.018 0.099 0.000 1.963 381 C CB 0.000 27.856 27.740 0.193 0.000 2.134 381 C HN 0.000 nan 8.230 nan 0.000 0.568