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 2gz1_1_B DATA FIRST_RESID 2 DATA SEQUENCE GYTVAVVGAT GAVGAQMIKM LEESTLPIDK IRYLASARSA GKSLKFKDQD DATA SEQUENCE ITIEETTETA FEGVDIALFS AGSSTSAKYA PYAVKAGVVV VDNTSYFRQN DATA SEQUENCE PDVPLVVPEV NAHALDAHNG IIACPNCSTI QMMVALEPVR QKWGLDRIIV DATA SEQUENCE STYQAVSGAG MGAILETQRE LREVLNDGVK PCDLHAEILP SGGDKKHYPI DATA SEQUENCE AFNALPQIDV FTDNDYTYEE MKMTKETKKI MEDDSIAVSA TCVRIPVLSA DATA SEQUENCE HSESVYIETK EVAPIEEVKA AIAAFPGAVL EDDVAHQIYP QAINAVGSRD DATA SEQUENCE TFVGRIRKDL DAEKGIHMWV VSDNLLKGAA WNSVQIAETL HERGLVRPTA DATA SEQUENCE ELKFELK 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.693 174.900 -0.346 0.000 0.946 2 G CA 0.000 44.897 45.100 -0.339 0.000 0.502 3 Y N -0.151 120.131 120.300 -0.029 0.000 2.420 3 Y HA 0.632 5.181 4.550 -0.002 0.000 0.334 3 Y C 0.892 176.766 175.900 -0.043 0.000 1.094 3 Y CA -0.646 57.441 58.100 -0.022 0.000 1.126 3 Y CB 2.133 40.581 38.460 -0.020 0.000 1.217 3 Y HN 0.341 nan 8.280 nan 0.000 0.462 4 T N 3.283 117.924 114.554 0.146 0.000 2.729 4 T HA 0.457 4.806 4.350 -0.001 0.000 0.296 4 T C -0.540 174.189 174.700 0.047 0.000 0.928 4 T CA -0.440 61.689 62.100 0.048 0.000 1.045 4 T CB -0.092 68.796 68.868 0.033 0.000 0.902 4 T HN 0.303 nan 8.240 nan 0.000 0.500 5 V N 2.946 122.852 119.914 -0.013 0.000 2.459 5 V HA 0.760 4.879 4.120 -0.001 0.000 0.295 5 V C 0.153 176.226 176.094 -0.034 0.000 1.029 5 V CA -1.093 61.198 62.300 -0.014 0.000 0.874 5 V CB 1.540 33.348 31.823 -0.026 0.000 0.985 5 V HN 1.000 nan 8.190 nan 0.000 0.438 6 A N 4.390 127.223 122.820 0.021 0.000 2.304 6 A HA 0.809 5.128 4.320 -0.001 0.000 0.323 6 A C -0.662 176.946 177.584 0.040 0.000 1.195 6 A CA -0.528 51.521 52.037 0.021 0.000 0.826 6 A CB 1.360 20.390 19.000 0.051 0.000 1.184 6 A HN 0.685 nan 8.150 nan 0.000 0.496 7 V N 3.796 123.749 119.914 0.064 0.000 2.333 7 V HA 0.260 4.379 4.120 -0.001 0.000 0.274 7 V C -0.135 175.923 176.094 -0.059 0.000 1.028 7 V CA -0.450 61.871 62.300 0.035 0.000 0.851 7 V CB 1.113 32.994 31.823 0.098 0.000 1.000 7 V HN 0.598 nan 8.190 nan 0.000 0.456 8 V N 4.286 124.084 119.914 -0.192 0.000 2.385 8 V HA 0.680 4.799 4.120 -0.001 0.000 0.269 8 V C 1.077 177.064 176.094 -0.179 0.000 1.043 8 V CA 0.583 62.694 62.300 -0.315 0.000 0.906 8 V CB 0.621 31.933 31.823 -0.852 0.000 0.995 8 V HN 1.191 nan 8.190 nan 0.000 0.467 9 G N 4.210 112.939 108.800 -0.119 0.000 2.207 9 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.216 9 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.216 9 G C 0.752 175.600 174.900 -0.085 0.000 1.053 9 G CA 0.238 45.298 45.100 -0.067 0.000 0.764 9 G HN 1.247 nan 8.290 nan 0.000 0.495 10 A N -0.290 122.453 122.820 -0.129 0.000 2.067 10 A HA 0.196 4.515 4.320 -0.001 0.000 0.219 10 A C 2.487 179.940 177.584 -0.219 0.000 1.158 10 A CA 2.609 54.504 52.037 -0.236 0.000 0.661 10 A CB -0.499 18.249 19.000 -0.421 0.000 0.801 10 A HN 1.564 nan 8.150 nan 0.000 0.452 11 T N -3.047 111.425 114.554 -0.137 0.000 3.100 11 T HA 0.359 4.708 4.350 -0.001 0.000 0.253 11 T C 1.044 175.705 174.700 -0.065 0.000 1.118 11 T CA 0.417 62.458 62.100 -0.099 0.000 1.058 11 T CB -0.104 68.725 68.868 -0.065 0.000 0.953 11 T HN 0.384 nan 8.240 nan 0.000 0.515 12 G N 0.215 108.982 108.800 -0.054 0.000 2.525 12 G HA2 0.557 4.516 3.960 -0.001 0.000 0.287 12 G HA3 0.557 4.516 3.960 -0.001 0.000 0.287 12 G C 1.185 176.071 174.900 -0.025 0.000 1.350 12 G CA -0.332 44.751 45.100 -0.028 0.000 1.039 12 G HN 0.260 nan 8.290 nan 0.000 0.513 13 A N -1.319 121.496 122.820 -0.009 0.000 1.898 13 A HA 0.042 4.361 4.320 -0.001 0.000 0.216 13 A C 2.493 180.075 177.584 -0.003 0.000 1.181 13 A CA 1.941 53.975 52.037 -0.006 0.000 0.620 13 A CB -0.669 18.333 19.000 0.003 0.000 0.819 13 A HN 0.471 nan 8.150 nan 0.000 0.442 14 V N -0.062 119.855 119.914 0.005 0.000 2.307 14 V HA -0.134 3.985 4.120 -0.001 0.000 0.245 14 V C 2.853 178.949 176.094 0.003 0.000 1.045 14 V CA 1.794 64.102 62.300 0.013 0.000 1.024 14 V CB -1.505 30.334 31.823 0.026 0.000 0.651 14 V HN 0.599 nan 8.190 nan 0.000 0.449 15 G N -0.019 108.770 108.800 -0.018 0.000 2.469 15 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.219 15 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.219 15 G C 1.764 176.623 174.900 -0.069 0.000 1.150 15 G CA 1.274 46.343 45.100 -0.052 0.000 0.763 15 G HN 0.621 nan 8.290 nan 0.000 0.561 16 A N -0.266 122.518 122.820 -0.060 0.000 1.933 16 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 16 A C 2.416 179.989 177.584 -0.019 0.000 1.175 16 A CA 1.999 54.002 52.037 -0.056 0.000 0.628 16 A CB -0.275 18.701 19.000 -0.041 0.000 0.814 16 A HN 0.343 nan 8.150 nan 0.000 0.444 17 Q N -1.174 118.627 119.800 0.002 0.000 2.187 17 Q HA 0.022 4.361 4.340 -0.001 0.000 0.199 17 Q C 2.035 178.070 176.000 0.058 0.000 0.957 17 Q CA 1.153 56.973 55.803 0.029 0.000 0.857 17 Q CB -0.435 28.324 28.738 0.036 0.000 0.929 17 Q HN 0.759 nan 8.270 nan 0.000 0.453 18 M N 0.008 119.639 119.600 0.052 0.000 2.108 18 M HA -0.157 4.322 4.480 -0.001 0.000 0.261 18 M C 1.999 178.370 176.300 0.118 0.000 1.066 18 M CA 1.310 56.658 55.300 0.081 0.000 1.107 18 M CB -0.162 32.472 32.600 0.056 0.000 1.356 18 M HN 0.120 nan 8.290 nan 0.000 0.406 19 I N -0.399 120.225 120.570 0.090 0.000 2.163 19 I HA -0.360 3.809 4.170 -0.001 0.000 0.243 19 I C 2.465 178.664 176.117 0.137 0.000 1.085 19 I CA 1.434 62.836 61.300 0.171 0.000 1.347 19 I CB -0.483 37.564 38.000 0.079 0.000 1.044 19 I HN 0.289 nan 8.210 nan 0.000 0.408 20 K N 0.494 120.933 120.400 0.064 0.000 2.057 20 K HA -0.193 4.126 4.320 -0.001 0.000 0.207 20 K C 2.249 178.883 176.600 0.057 0.000 1.049 20 K CA 1.398 57.702 56.287 0.028 0.000 0.931 20 K CB 0.071 32.578 32.500 0.012 0.000 0.714 20 K HN 0.144 nan 8.250 nan 0.000 0.440 21 M N 0.666 120.332 119.600 0.110 0.000 2.175 21 M HA -0.106 4.373 4.480 -0.001 0.000 0.264 21 M C 2.169 178.583 176.300 0.189 0.000 1.063 21 M CA 1.303 56.703 55.300 0.166 0.000 1.119 21 M CB -0.679 32.072 32.600 0.252 0.000 1.377 21 M HN 0.188 nan 8.290 nan 0.000 0.415 22 L N -0.355 120.996 121.223 0.213 0.000 2.093 22 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 22 L C 2.283 179.326 176.870 0.289 0.000 1.085 22 L CA 1.053 56.062 54.840 0.282 0.000 0.755 22 L CB -0.499 41.785 42.059 0.374 0.000 0.904 22 L HN 0.343 nan 8.230 nan 0.000 0.435 23 E N 0.142 120.419 120.200 0.128 0.000 2.153 23 E HA -0.217 4.132 4.350 -0.001 0.000 0.194 23 E C 1.399 177.975 176.600 -0.040 0.000 0.988 23 E CA 1.114 57.419 56.400 -0.157 0.000 0.811 23 E CB 0.069 29.577 29.700 -0.320 0.000 0.746 23 E HN 0.537 nan 8.360 nan 0.000 0.466 24 E N 0.322 120.534 120.200 0.020 0.000 2.463 24 E HA 0.085 4.434 4.350 -0.001 0.000 0.193 24 E C 0.041 176.681 176.600 0.067 0.000 1.041 24 E CA -0.281 56.129 56.400 0.018 0.000 0.879 24 E CB 0.800 30.493 29.700 -0.012 0.000 0.997 24 E HN -0.092 nan 8.360 nan 0.000 0.478 25 S N 0.438 116.210 115.700 0.119 0.000 2.632 25 S HA 0.087 4.556 4.470 -0.001 0.000 0.271 25 S C 1.425 176.094 174.600 0.116 0.000 1.260 25 S CA -0.295 57.997 58.200 0.154 0.000 1.010 25 S CB 1.167 64.475 63.200 0.180 0.000 0.965 25 S HN 0.241 nan 8.310 nan 0.000 0.534 26 T N 2.108 116.729 114.554 0.113 0.000 3.067 26 T HA 0.112 4.461 4.350 -0.001 0.000 0.261 26 T C 0.789 175.513 174.700 0.040 0.000 1.110 26 T CA -0.087 62.060 62.100 0.078 0.000 1.113 26 T CB -0.386 68.535 68.868 0.089 0.000 0.917 26 T HN 0.383 nan 8.240 nan 0.000 0.499 27 L N 4.469 125.720 121.223 0.046 0.000 2.640 27 L HA 0.190 4.529 4.340 -0.001 0.000 0.280 27 L C -2.038 174.830 176.870 -0.003 0.000 1.229 27 L CA -1.407 53.432 54.840 -0.001 0.000 0.919 27 L CB -0.031 42.069 42.059 0.068 0.000 1.168 27 L HN 0.096 nan 8.230 nan 0.000 0.496 28 P HA 0.164 nan 4.420 nan 0.000 0.274 28 P C -0.776 176.498 177.300 -0.043 0.000 1.291 28 P CA 0.238 63.278 63.100 -0.100 0.000 0.815 28 P CB 0.120 31.684 31.700 -0.226 0.000 0.897 29 I N 3.479 124.054 120.570 0.009 0.000 2.354 29 I HA 0.174 4.343 4.170 -0.001 0.000 0.286 29 I C 0.846 176.947 176.117 -0.027 0.000 1.007 29 I CA -0.363 60.945 61.300 0.013 0.000 1.167 29 I CB 1.597 39.604 38.000 0.011 0.000 1.320 29 I HN 0.107 nan 8.210 nan 0.000 0.458 30 D N 4.100 124.474 120.400 -0.043 0.000 2.213 30 D HA 0.014 4.653 4.640 -0.001 0.000 0.205 30 D C 0.551 176.808 176.300 -0.072 0.000 0.961 30 D CA 1.234 55.204 54.000 -0.051 0.000 0.853 30 D CB 0.410 41.181 40.800 -0.050 0.000 0.967 30 D HN 0.397 nan 8.370 nan 0.000 0.496 31 K N 0.189 120.528 120.400 -0.102 0.000 2.550 31 K HA 0.312 4.631 4.320 -0.001 0.000 0.252 31 K C -1.811 174.648 176.600 -0.234 0.000 0.943 31 K CA -0.525 55.671 56.287 -0.151 0.000 0.806 31 K CB 1.783 34.221 32.500 -0.102 0.000 1.289 31 K HN -0.273 nan 8.250 nan 0.000 0.435 32 I N 4.064 124.413 120.570 -0.367 0.000 2.441 32 I HA 0.451 4.620 4.170 -0.001 0.000 0.295 32 I C -0.375 175.490 176.117 -0.420 0.000 0.994 32 I CA -0.740 60.270 61.300 -0.484 0.000 1.144 32 I CB 1.767 39.220 38.000 -0.911 0.000 1.314 32 I HN 0.675 nan 8.210 nan 0.000 0.445 33 R N 5.314 125.629 120.500 -0.308 0.000 2.599 33 R HA 0.518 4.857 4.340 -0.001 0.000 0.295 33 R C -1.613 174.628 176.300 -0.100 0.000 0.963 33 R CA -0.763 55.187 56.100 -0.251 0.000 0.883 33 R CB 2.328 32.527 30.300 -0.168 0.000 1.171 33 R HN 0.293 nan 8.270 nan 0.000 0.450 34 Y N 2.643 122.877 120.300 -0.110 0.000 2.328 34 Y HA 0.423 4.972 4.550 -0.002 0.000 0.337 34 Y C -0.388 175.436 175.900 -0.127 0.000 0.966 34 Y CA -1.143 56.899 58.100 -0.097 0.000 1.136 34 Y CB 1.176 39.603 38.460 -0.056 0.000 1.170 34 Y HN 0.291 nan 8.280 nan 0.000 0.470 35 L N 2.464 123.692 121.223 0.008 0.000 2.342 35 L HA 0.940 5.279 4.340 -0.001 0.000 0.271 35 L C 0.109 176.918 176.870 -0.101 0.000 1.008 35 L CA -0.450 54.326 54.840 -0.107 0.000 0.818 35 L CB 1.877 43.800 42.059 -0.225 0.000 1.296 35 L HN 0.775 nan 8.230 nan 0.000 0.427 36 A N 0.506 123.265 122.820 -0.101 0.000 3.742 36 A HA 0.836 5.155 4.320 -0.001 0.000 0.282 36 A C -0.553 176.990 177.584 -0.069 0.000 1.117 36 A CA 0.283 52.275 52.037 -0.076 0.000 0.624 36 A CB 0.537 19.505 19.000 -0.054 0.000 1.548 36 A HN 0.636 nan 8.150 nan 0.000 0.723 37 S N -0.802 114.877 115.700 -0.035 0.000 2.713 37 S HA 0.576 5.045 4.470 -0.001 0.000 0.277 37 S C 1.315 175.899 174.600 -0.026 0.000 1.168 37 S CA 0.398 58.588 58.200 -0.018 0.000 0.994 37 S CB 1.032 64.237 63.200 0.009 0.000 1.054 37 S HN 2.090 nan 8.310 nan 0.000 0.555 38 A N 0.780 123.591 122.820 -0.014 0.000 2.024 38 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 38 A C 2.321 179.898 177.584 -0.012 0.000 1.164 38 A CA 1.459 53.487 52.037 -0.015 0.000 0.643 38 A CB -0.850 18.148 19.000 -0.004 0.000 0.806 38 A HN 0.876 nan 8.150 nan 0.000 0.451 39 R N -0.522 119.974 120.500 -0.007 0.000 2.096 39 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 39 R C 1.911 178.205 176.300 -0.010 0.000 1.127 39 R CA 1.657 57.754 56.100 -0.006 0.000 0.968 39 R CB -0.247 30.052 30.300 -0.003 0.000 0.861 39 R HN 0.465 nan 8.270 nan 0.000 0.440 40 S N 0.007 115.698 115.700 -0.014 0.000 2.535 40 S HA 0.219 4.689 4.470 -0.001 0.000 0.214 40 S C 0.390 174.981 174.600 -0.015 0.000 0.980 40 S CA -0.199 57.993 58.200 -0.015 0.000 0.907 40 S CB 0.766 63.954 63.200 -0.020 0.000 0.790 40 S HN 0.363 nan 8.310 nan 0.000 0.510 41 A N 0.982 123.789 122.820 -0.021 0.000 2.546 41 A HA 0.476 4.795 4.320 -0.001 0.000 0.243 41 A C 1.505 179.079 177.584 -0.018 0.000 1.063 41 A CA 0.651 52.672 52.037 -0.026 0.000 0.757 41 A CB -0.645 18.333 19.000 -0.037 0.000 0.991 41 A HN 0.884 nan 8.150 nan 0.000 0.503 42 G N 1.927 110.718 108.800 -0.015 0.000 2.234 42 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.235 42 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.235 42 G C 0.453 175.352 174.900 -0.001 0.000 0.997 42 G CA 0.556 45.650 45.100 -0.011 0.000 0.623 42 G HN 0.847 nan 8.290 nan 0.000 0.514 43 K N 0.366 120.768 120.400 0.004 0.000 2.118 43 K HA 0.602 4.921 4.320 -0.001 0.000 0.240 43 K C -0.044 176.574 176.600 0.030 0.000 1.035 43 K CA 0.258 56.552 56.287 0.012 0.000 0.899 43 K CB 1.006 33.511 32.500 0.009 0.000 1.085 43 K HN 0.127 nan 8.250 nan 0.000 0.498 44 S N 0.428 116.151 115.700 0.039 0.000 2.521 44 S HA 0.580 5.049 4.470 -0.001 0.000 0.295 44 S C -1.231 173.422 174.600 0.088 0.000 1.098 44 S CA -0.777 57.462 58.200 0.064 0.000 0.999 44 S CB 0.477 63.704 63.200 0.045 0.000 1.034 44 S HN 0.388 nan 8.310 nan 0.000 0.483 45 L N 3.339 124.663 121.223 0.168 0.000 2.371 45 L HA 0.601 4.940 4.340 -0.001 0.000 0.262 45 L C -0.397 176.650 176.870 0.294 0.000 1.006 45 L CA -1.140 53.815 54.840 0.192 0.000 0.818 45 L CB 1.865 44.003 42.059 0.132 0.000 1.354 45 L HN 0.441 nan 8.230 nan 0.000 0.415 46 K N 1.515 122.048 120.400 0.222 0.000 2.270 46 K HA 0.278 4.597 4.320 -0.001 0.000 0.276 46 K C -1.036 175.789 176.600 0.375 0.000 1.023 46 K CA -0.065 56.350 56.287 0.214 0.000 0.955 46 K CB 1.074 33.634 32.500 0.100 0.000 0.975 46 K HN 0.305 nan 8.250 nan 0.000 0.471 47 F N 3.505 123.539 119.950 0.139 0.000 2.434 47 F HA 0.179 4.705 4.527 -0.001 0.000 0.355 47 F C 0.567 176.397 175.800 0.050 0.000 1.115 47 F CA -0.204 57.866 58.000 0.117 0.000 1.010 47 F CB 0.425 39.437 39.000 0.020 0.000 1.234 47 F HN 0.659 nan 8.300 nan 0.000 0.439 48 K N 2.221 122.403 120.400 -0.364 0.000 1.699 48 K HA -0.306 4.014 4.320 -0.001 0.000 0.127 48 K C 0.182 176.744 176.600 -0.064 0.000 1.157 48 K CA 1.999 58.145 56.287 -0.235 0.000 0.341 48 K CB -0.891 31.454 32.500 -0.258 0.000 0.645 48 K HN 0.554 nan 8.250 nan 0.000 0.848 49 D N 1.716 122.103 120.400 -0.022 0.000 2.350 49 D HA 0.036 4.675 4.640 -0.001 0.000 0.213 49 D C 0.092 176.411 176.300 0.032 0.000 1.031 49 D CA 0.666 54.669 54.000 0.005 0.000 0.861 49 D CB 0.166 40.966 40.800 0.000 0.000 0.926 49 D HN 0.203 nan 8.370 nan 0.000 0.520 50 Q N 1.140 120.978 119.800 0.063 0.000 2.288 50 Q HA 0.153 4.492 4.340 -0.001 0.000 0.254 50 Q C -0.541 175.501 176.000 0.069 0.000 0.932 50 Q CA -0.196 55.647 55.803 0.066 0.000 0.902 50 Q CB 1.153 29.945 28.738 0.089 0.000 1.203 50 Q HN 0.036 nan 8.270 nan 0.000 0.415 51 D N 2.709 123.133 120.400 0.041 0.000 2.312 51 D HA 0.234 4.874 4.640 -0.001 0.000 0.252 51 D C -0.313 175.994 176.300 0.011 0.000 1.150 51 D CA 0.106 54.132 54.000 0.042 0.000 0.870 51 D CB 0.961 41.777 40.800 0.027 0.000 1.153 51 D HN 0.278 nan 8.370 nan 0.000 0.457 52 I N 1.997 122.580 120.570 0.021 0.000 2.418 52 I HA 0.109 4.278 4.170 -0.001 0.000 0.287 52 I C 0.499 176.626 176.117 0.015 0.000 1.008 52 I CA -0.492 60.764 61.300 -0.073 0.000 1.104 52 I CB 1.426 39.208 38.000 -0.363 0.000 1.264 52 I HN 0.034 nan 8.210 nan 0.000 0.438 53 T N 7.122 121.664 114.554 -0.021 0.000 2.814 53 T HA 0.415 4.764 4.350 -0.001 0.000 0.297 53 T C 0.654 175.365 174.700 0.017 0.000 0.956 53 T CA -0.129 61.973 62.100 0.004 0.000 1.123 53 T CB 0.306 69.162 68.868 -0.022 0.000 0.902 53 T HN 0.245 nan 8.240 nan 0.000 0.528 54 I N 3.739 124.340 120.570 0.052 0.000 2.588 54 I HA 0.122 4.291 4.170 -0.001 0.000 0.283 54 I C 0.847 176.956 176.117 -0.014 0.000 1.119 54 I CA 0.163 61.492 61.300 0.049 0.000 1.419 54 I CB 0.476 38.501 38.000 0.043 0.000 1.394 54 I HN 0.586 nan 8.210 nan 0.000 0.562 55 E N 5.161 125.333 120.200 -0.046 0.000 2.195 55 E HA 0.278 4.627 4.350 -0.001 0.000 0.271 55 E C -0.800 175.731 176.600 -0.116 0.000 0.923 55 E CA -0.882 55.463 56.400 -0.092 0.000 0.790 55 E CB 1.788 31.408 29.700 -0.133 0.000 1.155 55 E HN 0.493 nan 8.360 nan 0.000 0.402 56 E N 1.592 121.722 120.200 -0.116 0.000 2.384 56 E HA 0.031 4.380 4.350 -0.001 0.000 0.266 56 E C -0.767 175.702 176.600 -0.219 0.000 1.012 56 E CA -0.043 56.278 56.400 -0.132 0.000 0.901 56 E CB 0.645 30.287 29.700 -0.097 0.000 0.967 56 E HN 0.290 nan 8.360 nan 0.000 0.435 57 T N 4.070 118.459 114.554 -0.275 0.000 2.814 57 T HA 0.235 4.584 4.350 -0.001 0.000 0.297 57 T C -0.011 174.297 174.700 -0.654 0.000 0.956 57 T CA -0.098 61.717 62.100 -0.475 0.000 1.123 57 T CB 0.830 69.415 68.868 -0.471 0.000 0.902 57 T HN 0.629 nan 8.240 nan 0.000 0.528 58 T N -0.868 113.332 114.554 -0.589 0.000 2.812 58 T HA 0.389 4.738 4.350 -0.001 0.000 0.294 58 T C 1.113 175.768 174.700 -0.075 0.000 1.159 58 T CA -0.985 60.907 62.100 -0.346 0.000 1.008 58 T CB 1.640 70.419 68.868 -0.147 0.000 1.289 58 T HN 0.561 nan 8.240 nan 0.000 0.514 59 E N 0.092 120.364 120.200 0.121 0.000 2.338 59 E HA -0.112 4.237 4.350 -0.001 0.000 0.197 59 E C 1.173 177.830 176.600 0.094 0.000 1.007 59 E CA 1.509 57.924 56.400 0.025 0.000 0.849 59 E CB -0.527 28.758 29.700 -0.692 0.000 0.774 59 E HN 0.783 nan 8.360 nan 0.000 0.506 60 T N -3.055 111.520 114.554 0.035 0.000 3.134 60 T HA 0.543 4.893 4.350 -0.001 0.000 0.260 60 T C 1.406 176.096 174.700 -0.017 0.000 1.027 60 T CA 0.048 62.172 62.100 0.039 0.000 0.913 60 T CB 0.961 69.826 68.868 -0.006 0.000 1.046 60 T HN 0.223 nan 8.240 nan 0.000 0.553 61 A N 0.317 123.054 122.820 -0.139 0.000 2.251 61 A HA 0.488 4.807 4.320 -0.001 0.000 0.209 61 A C 0.950 178.214 177.584 -0.533 0.000 1.187 61 A CA -0.071 51.720 52.037 -0.410 0.000 0.823 61 A CB -0.747 17.862 19.000 -0.652 0.000 0.846 61 A HN 0.542 nan 8.150 nan 0.000 0.486 62 F N 0.589 120.552 119.950 0.022 0.000 2.653 62 F HA 0.157 4.683 4.527 -0.002 0.000 0.304 62 F C 0.941 176.766 175.800 0.042 0.000 1.092 62 F CA -0.398 57.629 58.000 0.045 0.000 1.279 62 F CB 0.185 39.246 39.000 0.102 0.000 1.044 62 F HN 0.384 nan 8.300 nan 0.000 0.564 63 E N 0.566 120.844 120.200 0.131 0.000 2.415 63 E HA 0.300 4.649 4.350 -0.001 0.000 0.263 63 E C 1.272 177.912 176.600 0.066 0.000 0.995 63 E CA 0.714 57.171 56.400 0.096 0.000 0.915 63 E CB 0.529 30.264 29.700 0.059 0.000 0.951 63 E HN 0.406 nan 8.360 nan 0.000 0.449 64 G N 2.418 111.263 108.800 0.075 0.000 2.179 64 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.260 64 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.260 64 G C 0.152 175.093 174.900 0.070 0.000 0.977 64 G CA 0.092 45.227 45.100 0.057 0.000 0.641 64 G HN 0.543 nan 8.290 nan 0.000 0.533 65 V N 1.631 121.606 119.914 0.103 0.000 2.461 65 V HA 0.326 4.446 4.120 -0.001 0.000 0.275 65 V C 1.035 177.198 176.094 0.115 0.000 1.047 65 V CA 0.167 62.537 62.300 0.117 0.000 0.955 65 V CB 1.570 33.511 31.823 0.197 0.000 0.988 65 V HN 0.263 nan 8.190 nan 0.000 0.471 66 D N 3.612 124.072 120.400 0.099 0.000 2.201 66 D HA 0.192 4.831 4.640 -0.001 0.000 0.209 66 D C 0.353 176.648 176.300 -0.008 0.000 0.961 66 D CA 1.268 55.313 54.000 0.075 0.000 0.861 66 D CB 0.801 41.698 40.800 0.162 0.000 0.997 66 D HN 0.405 nan 8.370 nan 0.000 0.486 67 I N 0.531 121.089 120.570 -0.019 0.000 2.499 67 I HA 0.424 4.593 4.170 -0.001 0.000 0.288 67 I C -0.967 175.175 176.117 0.041 0.000 1.048 67 I CA -0.890 60.379 61.300 -0.052 0.000 1.062 67 I CB 2.435 40.344 38.000 -0.152 0.000 1.238 67 I HN -0.213 nan 8.210 nan 0.000 0.426 68 A N 7.578 130.452 122.820 0.091 0.000 2.319 68 A HA 0.772 5.091 4.320 -0.001 0.000 0.310 68 A C -0.802 176.904 177.584 0.202 0.000 1.152 68 A CA -0.489 51.662 52.037 0.189 0.000 0.783 68 A CB 0.787 20.006 19.000 0.366 0.000 1.184 68 A HN 0.693 nan 8.150 nan 0.000 0.474 69 L N 2.718 124.020 121.223 0.131 0.000 2.260 69 L HA 0.395 4.734 4.340 -0.001 0.000 0.289 69 L C -1.099 175.858 176.870 0.144 0.000 1.057 69 L CA -0.168 54.752 54.840 0.134 0.000 0.811 69 L CB 0.392 42.493 42.059 0.069 0.000 1.184 69 L HN 0.613 nan 8.230 nan 0.000 0.429 70 F N 1.835 121.804 119.950 0.033 0.000 2.405 70 F HA 0.286 4.812 4.527 -0.002 0.000 0.355 70 F C 0.748 176.579 175.800 0.052 0.000 1.121 70 F CA -0.055 57.980 58.000 0.060 0.000 1.112 70 F CB 1.762 40.800 39.000 0.062 0.000 1.126 70 F HN 0.328 nan 8.300 nan 0.000 0.481 71 S N 2.808 118.596 115.700 0.146 0.000 2.486 71 S HA 0.610 5.079 4.470 -0.001 0.000 0.144 71 S C -0.095 174.555 174.600 0.083 0.000 1.542 71 S CA 0.021 58.289 58.200 0.114 0.000 1.262 71 S CB 0.040 63.282 63.200 0.070 0.000 1.462 71 S HN 0.732 nan 8.310 nan 0.000 0.381 72 A N 1.178 124.074 122.820 0.126 0.000 2.592 72 A HA 0.744 5.063 4.320 -0.001 0.000 0.290 72 A C 0.809 178.464 177.584 0.118 0.000 0.998 72 A CA 0.067 52.164 52.037 0.099 0.000 0.983 72 A CB -0.257 18.793 19.000 0.083 0.000 1.240 72 A HN 1.691 nan 8.150 nan 0.000 0.535 73 G N -0.800 108.071 108.800 0.118 0.000 2.692 73 G HA2 0.010 3.969 3.960 -0.001 0.000 0.686 73 G HA3 0.010 3.969 3.960 -0.001 0.000 0.686 73 G C 0.629 175.586 174.900 0.094 0.000 1.243 73 G CA -0.151 45.008 45.100 0.097 0.000 0.782 73 G HN 0.584 nan 8.290 nan 0.000 0.625 74 S N 0.364 116.107 115.700 0.071 0.000 2.374 74 S HA -0.223 4.246 4.470 -0.001 0.000 0.227 74 S C 2.886 177.397 174.600 -0.147 0.000 1.037 74 S CA 2.765 60.979 58.200 0.024 0.000 1.024 74 S CB -0.430 62.830 63.200 0.100 0.000 0.861 74 S HN 1.870 nan 8.310 nan 0.000 0.456 75 S N 1.189 116.833 115.700 -0.094 0.000 2.368 75 S HA -0.130 4.340 4.470 -0.001 0.000 0.225 75 S C 1.905 176.430 174.600 -0.126 0.000 1.030 75 S CA 1.628 59.736 58.200 -0.153 0.000 0.999 75 S CB -1.178 61.982 63.200 -0.066 0.000 0.844 75 S HN 0.489 nan 8.310 nan 0.000 0.459 76 T N 2.336 116.912 114.554 0.037 0.000 2.746 76 T HA -0.030 4.320 4.350 -0.001 0.000 0.267 76 T C 2.167 177.038 174.700 0.284 0.000 1.039 76 T CA 1.606 63.845 62.100 0.231 0.000 1.142 76 T CB -0.614 68.448 68.868 0.322 0.000 0.866 76 T HN 0.492 nan 8.240 nan 0.000 0.444 77 S N 1.283 117.087 115.700 0.173 0.000 2.368 77 S HA -0.009 4.460 4.470 -0.001 0.000 0.225 77 S C 2.597 177.127 174.600 -0.116 0.000 1.030 77 S CA 0.925 59.158 58.200 0.056 0.000 0.999 77 S CB -0.557 62.689 63.200 0.078 0.000 0.844 77 S HN 0.585 nan 8.310 nan 0.000 0.459 78 A N 1.676 124.182 122.820 -0.523 0.000 1.940 78 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 78 A C 2.078 179.475 177.584 -0.311 0.000 1.176 78 A CA 1.441 52.997 52.037 -0.801 0.000 0.631 78 A CB -0.355 17.823 19.000 -1.369 0.000 0.814 78 A HN 0.404 nan 8.150 nan 0.000 0.446 79 K N -2.125 118.091 120.400 -0.307 0.000 2.076 79 K HA -0.052 4.267 4.320 -0.001 0.000 0.204 79 K C 1.517 177.987 176.600 -0.218 0.000 1.051 79 K CA 1.587 57.642 56.287 -0.388 0.000 0.949 79 K CB -0.158 31.849 32.500 -0.822 0.000 0.726 79 K HN 0.654 nan 8.250 nan 0.000 0.443 80 Y N -0.851 119.589 120.300 0.234 0.000 2.535 80 Y HA 0.266 4.815 4.550 -0.001 0.000 0.264 80 Y C 2.027 177.973 175.900 0.077 0.000 1.087 80 Y CA -0.079 58.226 58.100 0.341 0.000 1.285 80 Y CB -0.304 38.465 38.460 0.514 0.000 1.200 80 Y HN -0.044 nan 8.280 nan 0.000 0.514 81 A N 1.188 123.936 122.820 -0.121 0.000 1.908 81 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 81 A C -0.306 177.046 177.584 -0.388 0.000 1.181 81 A CA 1.776 53.447 52.037 -0.611 0.000 0.627 81 A CB -1.686 16.790 19.000 -0.872 0.000 0.818 81 A HN 0.262 nan 8.150 nan 0.000 0.445 82 P HA -0.129 nan 4.420 nan 0.000 0.218 82 P C 0.773 177.952 177.300 -0.201 0.000 1.149 82 P CA 1.029 64.012 63.100 -0.196 0.000 0.817 82 P CB -0.170 31.442 31.700 -0.146 0.000 0.785 83 Y N -0.257 120.038 120.300 -0.008 0.000 2.314 83 Y HA -0.041 4.508 4.550 -0.002 0.000 0.293 83 Y C 2.572 178.455 175.900 -0.027 0.000 1.129 83 Y CA 1.070 59.199 58.100 0.048 0.000 1.201 83 Y CB -1.362 37.201 38.460 0.173 0.000 0.999 83 Y HN -0.095 nan 8.280 nan 0.000 0.541 84 A N -0.285 122.453 122.820 -0.136 0.000 1.877 84 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 84 A C 2.375 179.886 177.584 -0.121 0.000 1.186 84 A CA 2.000 53.831 52.037 -0.344 0.000 0.620 84 A CB -1.200 17.312 19.000 -0.813 0.000 0.822 84 A HN 0.228 nan 8.150 nan 0.000 0.443 85 V N 0.238 120.070 119.914 -0.138 0.000 2.343 85 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 85 V C 2.527 178.627 176.094 0.009 0.000 1.051 85 V CA 2.400 64.667 62.300 -0.055 0.000 1.036 85 V CB -0.674 31.131 31.823 -0.029 0.000 0.654 85 V HN 0.675 nan 8.190 nan 0.000 0.451 86 K N 0.383 120.792 120.400 0.016 0.000 2.097 86 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 86 K C 1.998 178.645 176.600 0.077 0.000 1.049 86 K CA 1.477 57.791 56.287 0.046 0.000 0.933 86 K CB -0.288 32.244 32.500 0.053 0.000 0.717 86 K HN 0.457 nan 8.250 nan 0.000 0.442 87 A N -0.142 122.741 122.820 0.105 0.000 2.209 87 A HA 0.126 4.446 4.320 -0.001 0.000 0.212 87 A C 1.289 178.932 177.584 0.098 0.000 1.158 87 A CA 1.070 53.182 52.037 0.125 0.000 0.742 87 A CB -0.361 18.756 19.000 0.196 0.000 0.790 87 A HN 0.577 nan 8.150 nan 0.000 0.472 88 G N -2.024 106.819 108.800 0.071 0.000 2.148 88 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.203 88 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.203 88 G C 0.108 175.044 174.900 0.060 0.000 0.993 88 G CA -0.040 45.098 45.100 0.064 0.000 0.661 88 G HN 0.693 nan 8.290 nan 0.000 0.518 89 V N 0.323 120.265 119.914 0.047 0.000 2.834 89 V HA 0.614 4.733 4.120 -0.001 0.000 0.301 89 V C 0.964 177.051 176.094 -0.011 0.000 1.066 89 V CA -0.214 62.105 62.300 0.030 0.000 1.052 89 V CB 1.865 33.706 31.823 0.030 0.000 1.021 89 V HN 0.543 nan 8.190 nan 0.000 0.480 90 V N 4.983 124.874 119.914 -0.039 0.000 2.394 90 V HA 0.484 4.603 4.120 -0.001 0.000 0.282 90 V C -0.300 175.714 176.094 -0.134 0.000 1.031 90 V CA -0.145 62.087 62.300 -0.115 0.000 0.881 90 V CB 1.713 33.426 31.823 -0.183 0.000 0.982 90 V HN 0.616 nan 8.190 nan 0.000 0.451 91 V N 7.377 127.177 119.914 -0.191 0.000 2.394 91 V HA 0.433 4.552 4.120 -0.001 0.000 0.282 91 V C -0.123 175.862 176.094 -0.182 0.000 1.031 91 V CA -0.466 61.730 62.300 -0.173 0.000 0.881 91 V CB 1.791 33.393 31.823 -0.369 0.000 0.982 91 V HN 0.674 nan 8.190 nan 0.000 0.451 92 V N 3.903 123.772 119.914 -0.074 0.000 2.347 92 V HA 0.378 4.497 4.120 -0.001 0.000 0.280 92 V C -0.444 175.656 176.094 0.010 0.000 1.021 92 V CA -0.451 61.807 62.300 -0.071 0.000 0.847 92 V CB 1.569 33.354 31.823 -0.063 0.000 0.990 92 V HN 0.915 nan 8.190 nan 0.000 0.444 93 D N 3.896 124.283 120.400 -0.022 0.000 2.381 93 D HA 0.163 4.802 4.640 -0.001 0.000 0.235 93 D C 0.230 176.575 176.300 0.074 0.000 1.068 93 D CA -0.140 53.890 54.000 0.049 0.000 0.832 93 D CB 0.931 41.733 40.800 0.002 0.000 1.101 93 D HN 0.525 nan 8.370 nan 0.000 0.515 94 N N 3.908 122.675 118.700 0.111 0.000 3.250 94 N HA 0.082 4.821 4.740 -0.001 0.000 0.307 94 N C -0.763 174.814 175.510 0.111 0.000 1.355 94 N CA -0.053 53.050 53.050 0.090 0.000 1.192 94 N CB 0.129 38.664 38.487 0.079 0.000 1.478 94 N HN 0.518 nan 8.380 nan 0.000 0.543 95 T N -3.282 111.346 114.554 0.123 0.000 2.838 95 T HA 0.194 4.543 4.350 -0.001 0.000 0.292 95 T C 1.195 175.964 174.700 0.114 0.000 1.113 95 T CA -0.603 61.572 62.100 0.125 0.000 1.008 95 T CB 1.231 70.188 68.868 0.149 0.000 1.259 95 T HN 0.041 nan 8.240 nan 0.000 0.520 96 S N -0.469 115.301 115.700 0.116 0.000 2.522 96 S HA -0.044 4.425 4.470 -0.001 0.000 0.227 96 S C 1.562 176.215 174.600 0.087 0.000 0.986 96 S CA 0.095 58.352 58.200 0.095 0.000 0.929 96 S CB -1.025 62.255 63.200 0.134 0.000 0.769 96 S HN 0.677 nan 8.310 nan 0.000 0.529 97 Y N 1.831 122.093 120.300 -0.063 0.000 2.145 97 Y HA -0.011 4.538 4.550 -0.002 0.000 0.286 97 Y C 1.228 176.909 175.900 -0.366 0.000 1.145 97 Y CA 1.467 59.408 58.100 -0.265 0.000 1.148 97 Y CB -0.316 37.854 38.460 -0.482 0.000 0.981 97 Y HN 0.322 nan 8.280 nan 0.000 0.507 98 F N -0.652 119.300 119.950 0.003 0.000 2.727 98 F HA 0.209 4.735 4.527 -0.002 0.000 0.302 98 F C 1.926 177.688 175.800 -0.063 0.000 1.097 98 F CA -0.014 57.940 58.000 -0.078 0.000 1.330 98 F CB -0.218 38.718 39.000 -0.107 0.000 1.084 98 F HN -0.145 nan 8.300 nan 0.000 0.578 99 R N 0.015 120.561 120.500 0.078 0.000 2.127 99 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 99 R C 1.210 177.529 176.300 0.031 0.000 1.134 99 R CA 1.026 57.155 56.100 0.048 0.000 0.975 99 R CB -0.155 30.153 30.300 0.013 0.000 0.865 99 R HN 0.245 nan 8.270 nan 0.000 0.447 100 Q N 0.094 119.901 119.800 0.012 0.000 2.220 100 Q HA 0.100 4.439 4.340 -0.001 0.000 0.205 100 Q C -0.305 175.709 176.000 0.023 0.000 0.865 100 Q CA -0.096 55.712 55.803 0.008 0.000 0.960 100 Q CB 0.217 28.951 28.738 -0.008 0.000 1.097 100 Q HN 0.164 nan 8.270 nan 0.000 0.493 101 N N 2.989 121.727 118.700 0.064 0.000 2.442 101 N HA 0.045 4.785 4.740 -0.001 0.000 0.265 101 N C -1.700 173.870 175.510 0.100 0.000 1.138 101 N CA -1.357 51.759 53.050 0.110 0.000 0.956 101 N CB 1.500 40.137 38.487 0.250 0.000 1.067 101 N HN -0.082 nan 8.380 nan 0.000 0.474 102 P HA -0.041 nan 4.420 nan 0.000 0.230 102 P C -0.080 177.250 177.300 0.051 0.000 1.158 102 P CA 0.912 64.039 63.100 0.045 0.000 0.769 102 P CB 0.466 32.179 31.700 0.021 0.000 0.807 103 D N -0.394 120.051 120.400 0.074 0.000 2.340 103 D HA 0.074 4.713 4.640 -0.001 0.000 0.220 103 D C 0.226 176.625 176.300 0.166 0.000 1.039 103 D CA 0.338 54.378 54.000 0.068 0.000 0.866 103 D CB 0.673 41.446 40.800 -0.044 0.000 0.913 103 D HN 0.090 nan 8.370 nan 0.000 0.523 104 V N 2.725 122.736 119.914 0.162 0.000 2.376 104 V HA 0.241 4.360 4.120 -0.001 0.000 0.287 104 V C -2.330 173.803 176.094 0.065 0.000 1.015 104 V CA -1.866 60.509 62.300 0.126 0.000 0.834 104 V CB 2.066 33.959 31.823 0.116 0.000 1.001 104 V HN -0.169 nan 8.190 nan 0.000 0.428 105 P HA 0.165 nan 4.420 nan 0.000 0.267 105 P C -0.727 176.566 177.300 -0.012 0.000 1.205 105 P CA -0.222 62.885 63.100 0.011 0.000 0.765 105 P CB 0.643 32.346 31.700 0.005 0.000 0.828 106 L N 5.765 126.977 121.223 -0.019 0.000 2.301 106 L HA 0.394 4.733 4.340 -0.001 0.000 0.278 106 L C -1.118 175.724 176.870 -0.048 0.000 1.022 106 L CA -0.324 54.501 54.840 -0.025 0.000 0.854 106 L CB 0.772 42.825 42.059 -0.011 0.000 1.226 106 L HN 0.037 nan 8.230 nan 0.000 0.429 107 V N 5.409 125.286 119.914 -0.062 0.000 2.540 107 V HA 0.534 4.653 4.120 -0.001 0.000 0.302 107 V C -0.506 175.540 176.094 -0.081 0.000 1.035 107 V CA -0.703 61.546 62.300 -0.086 0.000 0.873 107 V CB 2.140 33.899 31.823 -0.107 0.000 0.992 107 V HN 0.368 nan 8.190 nan 0.000 0.428 108 V N 7.173 127.044 119.914 -0.070 0.000 2.326 108 V HA 0.274 4.393 4.120 -0.001 0.000 0.281 108 V C -1.684 174.372 176.094 -0.064 0.000 1.015 108 V CA -1.467 60.799 62.300 -0.057 0.000 0.823 108 V CB 1.603 33.421 31.823 -0.008 0.000 1.009 108 V HN 0.695 nan 8.190 nan 0.000 0.436 109 P HA -0.161 nan 4.420 nan 0.000 0.216 109 P C 1.173 178.434 177.300 -0.064 0.000 1.150 109 P CA 1.209 64.248 63.100 -0.102 0.000 0.843 109 P CB 0.409 32.021 31.700 -0.146 0.000 0.787 110 E N -1.452 118.725 120.200 -0.039 0.000 2.347 110 E HA -0.060 4.290 4.350 -0.001 0.000 0.196 110 E C 1.685 178.346 176.600 0.102 0.000 1.008 110 E CA 0.646 57.016 56.400 -0.051 0.000 0.852 110 E CB -0.415 29.223 29.700 -0.103 0.000 0.783 110 E HN 0.137 nan 8.360 nan 0.000 0.505 111 V N 1.147 121.136 119.914 0.125 0.000 2.627 111 V HA 0.017 4.136 4.120 -0.001 0.000 0.239 111 V C 0.711 176.848 176.094 0.073 0.000 1.077 111 V CA 1.043 63.440 62.300 0.162 0.000 1.103 111 V CB -0.064 31.828 31.823 0.116 0.000 0.802 111 V HN 0.376 nan 8.190 nan 0.000 0.482 112 N N 0.024 118.691 118.700 -0.055 0.000 2.628 112 N HA 0.288 5.027 4.740 -0.001 0.000 0.299 112 N C 0.567 175.812 175.510 -0.442 0.000 1.834 112 N CA 0.436 53.306 53.050 -0.300 0.000 0.871 112 N CB 0.545 38.874 38.487 -0.264 0.000 1.377 112 N HN 0.199 nan 8.380 nan 0.000 0.493 113 A N 0.861 123.549 122.820 -0.220 0.000 2.024 113 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 113 A C 1.872 179.366 177.584 -0.149 0.000 1.164 113 A CA 1.819 53.764 52.037 -0.155 0.000 0.643 113 A CB -1.190 17.768 19.000 -0.070 0.000 0.806 113 A HN 0.757 nan 8.150 nan 0.000 0.451 114 H N -1.177 117.894 119.070 0.002 0.000 2.426 114 H HA 0.081 4.636 4.556 -0.002 0.000 0.298 114 H C 1.773 177.105 175.328 0.008 0.000 1.107 114 H CA 1.450 57.500 56.048 0.003 0.000 1.298 114 H CB -0.807 28.956 29.762 0.002 0.000 1.377 114 H HN 0.349 nan 8.280 nan 0.000 0.519 115 A N 1.298 123.934 122.820 -0.307 0.000 2.067 115 A HA 0.002 4.321 4.320 -0.001 0.000 0.219 115 A C 2.357 179.936 177.584 -0.008 0.000 1.158 115 A CA 1.144 53.136 52.037 -0.076 0.000 0.661 115 A CB -0.797 18.102 19.000 -0.169 0.000 0.801 115 A HN 0.475 nan 8.150 nan 0.000 0.452 116 L N -0.493 120.716 121.223 -0.023 0.000 2.131 116 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 116 L C 1.845 178.785 176.870 0.116 0.000 1.092 116 L CA 1.194 56.060 54.840 0.043 0.000 0.759 116 L CB -0.639 41.426 42.059 0.010 0.000 0.903 116 L HN 0.261 nan 8.230 nan 0.000 0.435 117 D N 0.673 121.114 120.400 0.067 0.000 2.149 117 D HA -0.166 4.473 4.640 -0.001 0.000 0.198 117 D C 1.804 178.098 176.300 -0.010 0.000 0.990 117 D CA 1.579 55.603 54.000 0.040 0.000 0.839 117 D CB 0.003 40.824 40.800 0.035 0.000 0.948 117 D HN 0.341 nan 8.370 nan 0.000 0.460 118 A N 0.616 123.441 122.820 0.009 0.000 2.462 118 A HA 0.102 4.421 4.320 -0.001 0.000 0.261 118 A C 0.201 177.768 177.584 -0.029 0.000 1.323 118 A CA -0.365 51.655 52.037 -0.029 0.000 0.913 118 A CB -1.047 17.955 19.000 0.003 0.000 1.028 118 A HN 0.367 nan 8.150 nan 0.000 0.511 119 H N -0.981 118.086 119.070 -0.005 0.000 2.852 119 H HA 0.267 4.822 4.556 -0.001 0.000 0.362 119 H C -0.086 175.246 175.328 0.006 0.000 1.122 119 H CA 0.017 56.064 56.048 -0.002 0.000 1.419 119 H CB 0.433 30.183 29.762 -0.021 0.000 1.401 119 H HN 0.107 nan 8.280 nan 0.000 0.609 120 N N 2.110 120.924 118.700 0.190 0.000 2.338 120 N HA 0.177 4.916 4.740 -0.001 0.000 0.251 120 N C 0.637 176.327 175.510 0.300 0.000 1.199 120 N CA 0.509 53.639 53.050 0.133 0.000 0.879 120 N CB 1.276 39.782 38.487 0.033 0.000 1.159 120 N HN 1.005 nan 8.380 nan 0.000 0.514 121 G N 0.745 109.819 108.800 0.456 0.000 2.218 121 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.216 121 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.216 121 G C -0.057 174.790 174.900 -0.087 0.000 0.994 121 G CA -0.412 44.806 45.100 0.198 0.000 0.637 121 G HN 0.293 nan 8.290 nan 0.000 0.505 122 I N 1.125 121.611 120.570 -0.139 0.000 2.466 122 I HA 0.563 4.732 4.170 -0.001 0.000 0.289 122 I C -0.696 175.279 176.117 -0.235 0.000 1.026 122 I CA -1.098 59.971 61.300 -0.386 0.000 1.078 122 I CB 1.817 39.290 38.000 -0.879 0.000 1.249 122 I HN -0.052 nan 8.210 nan 0.000 0.429 123 I N 5.508 125.935 120.570 -0.238 0.000 2.378 123 I HA 0.556 4.725 4.170 -0.001 0.000 0.291 123 I C 0.302 176.344 176.117 -0.124 0.000 0.992 123 I CA -0.178 61.028 61.300 -0.158 0.000 1.154 123 I CB 1.871 39.762 38.000 -0.181 0.000 1.315 123 I HN 0.569 nan 8.210 nan 0.000 0.448 124 A N 4.855 127.634 122.820 -0.069 0.000 2.301 124 A HA 0.542 4.861 4.320 -0.001 0.000 0.312 124 A C -0.319 177.247 177.584 -0.029 0.000 1.182 124 A CA -0.498 51.525 52.037 -0.023 0.000 0.826 124 A CB 0.850 19.865 19.000 0.026 0.000 1.134 124 A HN 0.869 nan 8.150 nan 0.000 0.501 125 C N 4.870 124.159 119.300 -0.018 0.000 2.435 125 C HA 0.642 5.101 4.460 -0.001 0.000 0.375 125 C C -2.163 172.822 174.990 -0.008 0.000 1.281 125 C CA -1.803 57.200 59.018 -0.025 0.000 1.963 125 C CB -0.061 27.667 27.740 -0.021 0.000 2.490 125 C HN 0.719 nan 8.230 nan 0.000 0.557 126 P HA 0.072 nan 4.420 nan 0.000 0.274 126 P C -0.351 176.946 177.300 -0.005 0.000 1.260 126 P CA -0.150 62.942 63.100 -0.014 0.000 0.793 126 P CB 0.334 32.023 31.700 -0.019 0.000 1.048 127 N N 0.343 119.033 118.700 -0.016 0.000 2.412 127 N HA -0.085 4.654 4.740 -0.001 0.000 0.254 127 N C 1.156 176.681 175.510 0.026 0.000 1.232 127 N CA -0.048 52.998 53.050 -0.007 0.000 0.880 127 N CB 0.412 38.870 38.487 -0.048 0.000 1.076 127 N HN 0.500 nan 8.380 nan 0.000 0.458 128 C N 1.992 121.331 119.300 0.065 0.000 2.398 128 C HA -0.158 4.301 4.460 -0.001 0.000 0.276 128 C C 2.948 178.020 174.990 0.136 0.000 1.222 128 C CA 1.077 60.154 59.018 0.099 0.000 1.746 128 C CB -1.846 25.970 27.740 0.127 0.000 2.039 128 C HN 0.836 nan 8.230 nan 0.000 0.470 129 S N 1.040 116.834 115.700 0.156 0.000 2.399 129 S HA -0.164 4.305 4.470 -0.001 0.000 0.231 129 S C 1.566 176.189 174.600 0.039 0.000 1.022 129 S CA 2.063 60.323 58.200 0.100 0.000 0.983 129 S CB -1.355 61.843 63.200 -0.003 0.000 0.803 129 S HN 0.705 nan 8.310 nan 0.000 0.480 130 T N 2.708 117.273 114.554 0.017 0.000 2.812 130 T HA 0.174 4.523 4.350 -0.001 0.000 0.264 130 T C 1.730 176.435 174.700 0.009 0.000 1.042 130 T CA 1.280 63.380 62.100 0.000 0.000 1.140 130 T CB -0.447 68.409 68.868 -0.019 0.000 0.870 130 T HN 0.382 nan 8.240 nan 0.000 0.445 131 I N 1.866 122.447 120.570 0.019 0.000 2.127 131 I HA -0.288 3.881 4.170 -0.001 0.000 0.241 131 I C 2.986 179.121 176.117 0.031 0.000 1.075 131 I CA 1.640 62.953 61.300 0.021 0.000 1.334 131 I CB -0.543 37.470 38.000 0.023 0.000 1.040 131 I HN 0.411 nan 8.210 nan 0.000 0.405 132 Q N 0.827 120.650 119.800 0.037 0.000 2.167 132 Q HA -0.255 4.085 4.340 -0.001 0.000 0.202 132 Q C 2.258 178.268 176.000 0.017 0.000 0.970 132 Q CA 1.635 57.457 55.803 0.033 0.000 0.855 132 Q CB -0.473 28.286 28.738 0.035 0.000 0.911 132 Q HN 0.531 nan 8.270 nan 0.000 0.438 133 M N -0.075 119.531 119.600 0.010 0.000 2.175 133 M HA -0.096 4.384 4.480 -0.001 0.000 0.264 133 M C 1.794 178.086 176.300 -0.013 0.000 1.063 133 M CA 1.212 56.510 55.300 -0.003 0.000 1.119 133 M CB 0.127 32.725 32.600 -0.003 0.000 1.377 133 M HN 0.255 nan 8.290 nan 0.000 0.415 134 M N -0.636 118.961 119.600 -0.005 0.000 2.175 134 M HA -0.112 4.367 4.480 -0.001 0.000 0.264 134 M C 2.104 178.396 176.300 -0.013 0.000 1.063 134 M CA 1.196 56.489 55.300 -0.011 0.000 1.119 134 M CB -1.202 31.402 32.600 0.006 0.000 1.377 134 M HN 0.193 nan 8.290 nan 0.000 0.415 135 V N 0.565 120.503 119.914 0.040 0.000 2.407 135 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 135 V C 2.693 178.780 176.094 -0.012 0.000 1.055 135 V CA 1.793 64.160 62.300 0.112 0.000 1.049 135 V CB -1.289 30.621 31.823 0.146 0.000 0.662 135 V HN 0.474 nan 8.190 nan 0.000 0.455 136 A N -0.680 122.123 122.820 -0.028 0.000 1.929 136 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 136 A C 2.134 179.649 177.584 -0.116 0.000 1.176 136 A CA 1.369 53.378 52.037 -0.046 0.000 0.628 136 A CB -0.274 18.721 19.000 -0.008 0.000 0.816 136 A HN 0.501 nan 8.150 nan 0.000 0.444 137 L N -1.360 119.788 121.223 -0.125 0.000 2.408 137 L HA 0.025 4.364 4.340 -0.001 0.000 0.215 137 L C 2.388 179.147 176.870 -0.184 0.000 1.081 137 L CA 0.886 55.655 54.840 -0.118 0.000 0.840 137 L CB -0.237 41.779 42.059 -0.071 0.000 1.002 137 L HN 0.419 nan 8.230 nan 0.000 0.468 138 E N 1.632 121.656 120.200 -0.293 0.000 2.058 138 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 138 E C -0.715 175.619 176.600 -0.443 0.000 0.997 138 E CA 1.752 57.947 56.400 -0.341 0.000 0.801 138 E CB -1.046 28.453 29.700 -0.335 0.000 0.746 138 E HN 0.240 nan 8.360 nan 0.000 0.450 139 P HA -0.127 nan 4.420 nan 0.000 0.218 139 P C 1.398 178.632 177.300 -0.111 0.000 1.148 139 P CA 1.100 63.945 63.100 -0.425 0.000 0.822 139 P CB 0.034 31.491 31.700 -0.404 0.000 0.784 140 V N 0.498 120.395 119.914 -0.029 0.000 2.407 140 V HA -0.117 4.002 4.120 -0.001 0.000 0.245 140 V C 2.949 179.136 176.094 0.155 0.000 1.041 140 V CA 1.432 63.860 62.300 0.214 0.000 1.040 140 V CB -1.109 30.802 31.823 0.146 0.000 0.671 140 V HN 0.044 nan 8.190 nan 0.000 0.455 141 R N 0.067 120.575 120.500 0.014 0.000 2.091 141 R HA -0.229 4.110 4.340 -0.001 0.000 0.238 141 R C 2.396 178.671 176.300 -0.043 0.000 1.136 141 R CA 2.016 58.113 56.100 -0.004 0.000 0.959 141 R CB -0.236 30.043 30.300 -0.036 0.000 0.856 141 R HN 0.592 nan 8.270 nan 0.000 0.437 142 Q N -0.290 119.457 119.800 -0.088 0.000 2.181 142 Q HA -0.176 4.163 4.340 -0.001 0.000 0.205 142 Q C 1.847 177.715 176.000 -0.220 0.000 0.980 142 Q CA 1.695 57.428 55.803 -0.117 0.000 0.862 142 Q CB 0.112 28.795 28.738 -0.092 0.000 0.905 142 Q HN 0.339 nan 8.270 nan 0.000 0.429 143 K N -1.572 118.600 120.400 -0.380 0.000 2.244 143 K HA 0.020 4.339 4.320 -0.001 0.000 0.200 143 K C 1.166 177.273 176.600 -0.822 0.000 1.052 143 K CA 0.422 56.217 56.287 -0.819 0.000 0.980 143 K CB 0.580 32.108 32.500 -1.620 0.000 0.838 143 K HN 0.255 nan 8.250 nan 0.000 0.481 144 W N 0.897 122.179 121.300 -0.030 0.000 2.534 144 W HA 0.283 4.941 4.660 -0.002 0.000 0.339 144 W C 0.339 176.836 176.519 -0.037 0.000 0.961 144 W CA 0.230 57.557 57.345 -0.031 0.000 1.545 144 W CB 0.418 29.858 29.460 -0.034 0.000 1.104 144 W HN 0.136 nan 8.180 nan 0.000 0.538 145 G N 2.069 110.938 108.800 0.116 0.000 2.787 145 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.685 145 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.685 145 G C -1.362 173.570 174.900 0.054 0.000 1.437 145 G CA -0.792 44.343 45.100 0.060 0.000 0.872 145 G HN 0.051 nan 8.290 nan 0.000 0.566 146 L N 0.867 122.099 121.223 0.015 0.000 2.406 146 L HA 0.395 4.734 4.340 -0.001 0.000 0.272 146 L C 0.617 177.478 176.870 -0.015 0.000 0.980 146 L CA -0.763 54.070 54.840 -0.010 0.000 0.831 146 L CB 1.847 43.892 42.059 -0.022 0.000 1.253 146 L HN 0.746 nan 8.230 nan 0.000 0.406 147 D N 2.119 122.504 120.400 -0.025 0.000 2.269 147 D HA 0.064 4.703 4.640 -0.001 0.000 0.220 147 D C 0.464 176.751 176.300 -0.021 0.000 0.962 147 D CA 0.904 54.893 54.000 -0.018 0.000 0.884 147 D CB 0.699 41.490 40.800 -0.014 0.000 1.023 147 D HN 0.579 nan 8.370 nan 0.000 0.484 148 R N -0.854 119.622 120.500 -0.040 0.000 2.764 148 R HA 0.609 4.948 4.340 -0.001 0.000 0.270 148 R C -1.490 174.777 176.300 -0.055 0.000 1.014 148 R CA -0.778 55.307 56.100 -0.026 0.000 0.904 148 R CB 0.909 31.217 30.300 0.014 0.000 1.236 148 R HN -0.076 nan 8.270 nan 0.000 0.466 149 I N 2.205 122.768 120.570 -0.012 0.000 2.569 149 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 149 I C -0.738 175.425 176.117 0.076 0.000 1.088 149 I CA -0.988 60.311 61.300 -0.001 0.000 1.047 149 I CB 2.352 40.347 38.000 -0.008 0.000 1.237 149 I HN 0.477 nan 8.210 nan 0.000 0.421 150 I N 6.558 127.219 120.570 0.151 0.000 2.389 150 I HA 0.472 4.641 4.170 -0.001 0.000 0.288 150 I C -0.762 175.450 176.117 0.159 0.000 0.999 150 I CA -0.848 60.554 61.300 0.170 0.000 1.129 150 I CB 2.213 40.340 38.000 0.213 0.000 1.288 150 I HN 0.229 nan 8.210 nan 0.000 0.444 151 V N 5.556 125.544 119.914 0.123 0.000 2.656 151 V HA 0.584 4.703 4.120 -0.001 0.000 0.307 151 V C -0.575 175.586 176.094 0.112 0.000 1.051 151 V CA -0.020 62.352 62.300 0.119 0.000 0.893 151 V CB 2.321 34.191 31.823 0.078 0.000 0.999 151 V HN 0.745 nan 8.190 nan 0.000 0.426 152 S N 4.027 119.814 115.700 0.145 0.000 2.552 152 S HA 0.650 5.119 4.470 -0.001 0.000 0.314 152 S C -0.183 174.500 174.600 0.139 0.000 1.099 152 S CA -0.401 57.859 58.200 0.100 0.000 1.070 152 S CB 1.592 64.854 63.200 0.104 0.000 0.998 152 S HN 1.102 nan 8.310 nan 0.000 0.474 153 T N 0.317 114.879 114.554 0.013 0.000 2.944 153 T HA 0.679 5.028 4.350 -0.001 0.000 0.284 153 T C -1.041 173.619 174.700 -0.067 0.000 1.010 153 T CA -0.590 61.542 62.100 0.053 0.000 1.025 153 T CB 0.645 69.481 68.868 -0.053 0.000 1.079 153 T HN 0.536 nan 8.240 nan 0.000 0.516 154 Y N 0.492 120.759 120.300 -0.054 0.000 2.628 154 Y HA 0.351 4.900 4.550 -0.001 0.000 0.354 154 Y C 0.338 176.216 175.900 -0.036 0.000 1.061 154 Y CA -1.025 57.078 58.100 0.005 0.000 1.251 154 Y CB 1.095 39.618 38.460 0.105 0.000 1.098 154 Y HN 0.575 nan 8.280 nan 0.000 0.626 155 Q N 1.785 121.576 119.800 -0.016 0.000 2.241 155 Q HA 0.713 5.052 4.340 -0.001 0.000 0.254 155 Q C -0.191 175.862 176.000 0.088 0.000 0.917 155 Q CA -0.848 54.856 55.803 -0.164 0.000 0.919 155 Q CB 2.018 30.433 28.738 -0.540 0.000 1.237 155 Q HN 0.697 nan 8.270 nan 0.000 0.434 156 A N 1.485 124.516 122.820 0.353 0.000 2.386 156 A HA 0.178 4.498 4.320 -0.001 0.000 0.248 156 A C 1.146 178.844 177.584 0.190 0.000 1.082 156 A CA -0.296 51.884 52.037 0.239 0.000 0.789 156 A CB 0.302 19.421 19.000 0.197 0.000 1.025 156 A HN 0.775 nan 8.150 nan 0.000 0.490 157 V N 0.330 120.306 119.914 0.104 0.000 2.759 157 V HA -0.143 3.976 4.120 -0.001 0.000 0.256 157 V C 2.009 178.146 176.094 0.071 0.000 1.080 157 V CA 2.250 64.594 62.300 0.074 0.000 1.101 157 V CB -1.401 30.446 31.823 0.041 0.000 0.698 157 V HN 1.118 nan 8.190 nan 0.000 0.477 158 S N 1.344 117.083 115.700 0.066 0.000 2.442 158 S HA -0.005 4.464 4.470 -0.001 0.000 0.236 158 S C 2.026 176.660 174.600 0.056 0.000 1.007 158 S CA 1.143 59.368 58.200 0.042 0.000 0.965 158 S CB -1.046 62.163 63.200 0.015 0.000 0.773 158 S HN 0.814 nan 8.310 nan 0.000 0.504 159 G N 1.236 110.104 108.800 0.114 0.000 2.462 159 G HA2 0.090 4.049 3.960 -0.001 0.000 0.220 159 G HA3 0.090 4.049 3.960 -0.001 0.000 0.220 159 G C 1.247 176.206 174.900 0.100 0.000 1.121 159 G CA 0.585 45.776 45.100 0.152 0.000 0.758 159 G HN 0.840 nan 8.290 nan 0.000 0.559 160 A N -0.625 122.241 122.820 0.077 0.000 2.387 160 A HA 0.606 4.925 4.320 -0.001 0.000 0.234 160 A C 1.231 178.841 177.584 0.043 0.000 1.253 160 A CA 1.068 53.138 52.037 0.056 0.000 0.894 160 A CB -0.309 18.721 19.000 0.050 0.000 0.963 160 A HN 1.720 nan 8.150 nan 0.000 0.508 161 G N -1.720 107.103 108.800 0.039 0.000 2.592 161 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.684 161 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.684 161 G C 0.538 175.448 174.900 0.017 0.000 1.291 161 G CA -0.156 44.961 45.100 0.027 0.000 0.891 161 G HN -0.023 nan 8.290 nan 0.000 0.544 162 M N 0.667 120.273 119.600 0.009 0.000 2.086 162 M HA -0.064 4.415 4.480 -0.001 0.000 0.261 162 M C 2.827 179.128 176.300 0.001 0.000 1.067 162 M CA 2.841 58.143 55.300 0.003 0.000 1.116 162 M CB -1.680 30.918 32.600 -0.003 0.000 1.348 162 M HN 1.066 nan 8.290 nan 0.000 0.407 163 G N -0.463 108.337 108.800 -0.000 0.000 2.442 163 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.219 163 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.219 163 G C 1.595 176.491 174.900 -0.007 0.000 1.141 163 G CA 1.230 46.326 45.100 -0.007 0.000 0.763 163 G HN 0.565 nan 8.290 nan 0.000 0.554 164 A N 0.539 123.360 122.820 0.002 0.000 1.968 164 A HA 0.149 4.468 4.320 -0.001 0.000 0.217 164 A C 2.372 179.960 177.584 0.007 0.000 1.169 164 A CA 1.017 53.058 52.037 0.007 0.000 0.638 164 A CB -0.257 18.756 19.000 0.022 0.000 0.812 164 A HN 0.383 nan 8.150 nan 0.000 0.446 165 I N -0.251 120.324 120.570 0.008 0.000 2.142 165 I HA -0.280 3.889 4.170 -0.001 0.000 0.240 165 I C 2.349 178.466 176.117 -0.000 0.000 1.078 165 I CA 1.281 62.585 61.300 0.005 0.000 1.343 165 I CB -0.427 37.576 38.000 0.005 0.000 1.046 165 I HN 0.276 nan 8.210 nan 0.000 0.405 166 L N 0.373 121.595 121.223 -0.002 0.000 2.083 166 L HA -0.224 4.115 4.340 -0.001 0.000 0.209 166 L C 2.630 179.498 176.870 -0.003 0.000 1.083 166 L CA 1.502 56.341 54.840 -0.002 0.000 0.752 166 L CB -0.645 41.413 42.059 -0.003 0.000 0.899 166 L HN 0.325 nan 8.230 nan 0.000 0.433 167 E N -0.058 120.138 120.200 -0.007 0.000 2.085 167 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 167 E C 1.948 178.544 176.600 -0.006 0.000 0.994 167 E CA 1.935 58.329 56.400 -0.010 0.000 0.801 167 E CB 0.065 29.753 29.700 -0.021 0.000 0.743 167 E HN 0.370 nan 8.360 nan 0.000 0.453 168 T N 0.611 115.161 114.554 -0.008 0.000 2.777 168 T HA -0.141 4.208 4.350 -0.001 0.000 0.266 168 T C 1.816 176.500 174.700 -0.025 0.000 1.040 168 T CA 1.404 63.493 62.100 -0.018 0.000 1.141 168 T CB -0.178 68.679 68.868 -0.019 0.000 0.868 168 T HN 0.273 nan 8.240 nan 0.000 0.444 169 Q N 0.767 120.558 119.800 -0.015 0.000 2.084 169 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 169 Q C 2.530 178.529 176.000 -0.001 0.000 0.978 169 Q CA 1.455 57.251 55.803 -0.012 0.000 0.844 169 Q CB -0.212 28.523 28.738 -0.005 0.000 0.898 169 Q HN 0.588 nan 8.270 nan 0.000 0.426 170 R N 0.733 121.237 120.500 0.006 0.000 2.092 170 R HA -0.084 4.255 4.340 -0.001 0.000 0.231 170 R C 1.680 177.996 176.300 0.027 0.000 1.119 170 R CA 1.508 57.618 56.100 0.017 0.000 0.970 170 R CB -0.267 30.044 30.300 0.018 0.000 0.864 170 R HN 0.191 nan 8.270 nan 0.000 0.440 171 E N 1.022 121.235 120.200 0.022 0.000 2.051 171 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 171 E C 2.063 178.691 176.600 0.046 0.000 0.991 171 E CA 1.587 58.009 56.400 0.037 0.000 0.799 171 E CB -0.148 29.568 29.700 0.027 0.000 0.748 171 E HN 0.342 nan 8.360 nan 0.000 0.449 172 L N 0.381 121.606 121.223 0.003 0.000 2.083 172 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 172 L C 2.566 179.477 176.870 0.068 0.000 1.083 172 L CA 1.061 55.902 54.840 0.001 0.000 0.752 172 L CB -0.242 41.761 42.059 -0.094 0.000 0.899 172 L HN 0.040 nan 8.230 nan 0.000 0.433 173 R N -0.139 120.389 120.500 0.046 0.000 2.092 173 R HA -0.151 4.188 4.340 -0.001 0.000 0.231 173 R C 2.164 178.502 176.300 0.064 0.000 1.119 173 R CA 1.259 57.390 56.100 0.052 0.000 0.970 173 R CB -0.167 30.154 30.300 0.035 0.000 0.864 173 R HN 0.428 nan 8.270 nan 0.000 0.440 174 E N -0.094 120.145 120.200 0.066 0.000 2.106 174 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 174 E C 1.951 178.603 176.600 0.086 0.000 0.984 174 E CA 1.189 57.630 56.400 0.068 0.000 0.806 174 E CB 0.140 29.880 29.700 0.068 0.000 0.750 174 E HN 0.107 nan 8.360 nan 0.000 0.458 175 V N 1.022 121.011 119.914 0.125 0.000 2.323 175 V HA -0.210 3.909 4.120 -0.001 0.000 0.244 175 V C 2.194 178.364 176.094 0.126 0.000 1.041 175 V CA 1.389 63.782 62.300 0.155 0.000 1.025 175 V CB -0.276 31.732 31.823 0.309 0.000 0.656 175 V HN 0.233 nan 8.190 nan 0.000 0.451 176 L N 0.054 121.366 121.223 0.148 0.000 2.131 176 L HA -0.016 4.323 4.340 -0.001 0.000 0.206 176 L C 2.233 179.145 176.870 0.070 0.000 1.087 176 L CA 1.093 56.004 54.840 0.118 0.000 0.767 176 L CB -0.408 41.737 42.059 0.143 0.000 0.917 176 L HN 0.371 nan 8.230 nan 0.000 0.441 177 N N -0.877 117.860 118.700 0.062 0.000 2.439 177 N HA -0.061 4.679 4.740 -0.001 0.000 0.176 177 N C 0.912 176.444 175.510 0.037 0.000 1.029 177 N CA 0.815 53.892 53.050 0.044 0.000 0.886 177 N CB 0.067 38.578 38.487 0.039 0.000 1.057 177 N HN 0.199 nan 8.380 nan 0.000 0.437 178 D N -0.324 120.101 120.400 0.041 0.000 2.360 178 D HA 0.176 4.816 4.640 -0.001 0.000 0.210 178 D C 0.892 177.211 176.300 0.032 0.000 1.047 178 D CA 0.268 54.289 54.000 0.034 0.000 0.854 178 D CB 0.314 41.136 40.800 0.036 0.000 0.936 178 D HN 0.279 nan 8.370 nan 0.000 0.514 179 G N 1.069 109.890 108.800 0.035 0.000 2.160 179 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.251 179 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.251 179 G C 0.396 175.313 174.900 0.028 0.000 1.008 179 G CA 0.240 45.355 45.100 0.026 0.000 0.724 179 G HN 0.282 nan 8.290 nan 0.000 0.514 180 V N 1.111 121.051 119.914 0.044 0.000 2.637 180 V HA 0.218 4.337 4.120 -0.001 0.000 0.296 180 V C 1.139 177.264 176.094 0.051 0.000 1.046 180 V CA -0.202 62.127 62.300 0.049 0.000 1.066 180 V CB 1.231 33.092 31.823 0.063 0.000 0.968 180 V HN 0.319 nan 8.190 nan 0.000 0.483 181 K N 5.826 126.251 120.400 0.041 0.000 2.350 181 K HA 0.166 4.486 4.320 -0.001 0.000 0.279 181 K C -1.625 175.016 176.600 0.068 0.000 1.027 181 K CA -1.346 54.963 56.287 0.037 0.000 0.969 181 K CB 0.837 33.352 32.500 0.025 0.000 0.954 181 K HN 0.348 nan 8.250 nan 0.000 0.474 182 P HA -0.183 nan 4.420 nan 0.000 0.217 182 P C 0.801 178.161 177.300 0.101 0.000 1.151 182 P CA 1.266 64.443 63.100 0.129 0.000 0.849 182 P CB 0.148 31.942 31.700 0.158 0.000 0.787 183 C N -1.140 118.204 119.300 0.074 0.000 2.437 183 C HA -0.055 4.404 4.460 -0.001 0.000 0.283 183 C C 1.753 176.790 174.990 0.078 0.000 1.424 183 C CA 0.869 59.928 59.018 0.068 0.000 1.782 183 C CB -1.668 26.099 27.740 0.045 0.000 1.833 183 C HN 0.283 nan 8.230 nan 0.000 0.532 184 D N 0.299 120.744 120.400 0.076 0.000 2.349 184 D HA 0.181 4.820 4.640 -0.001 0.000 0.214 184 D C 0.500 176.859 176.300 0.099 0.000 1.063 184 D CA 0.180 54.226 54.000 0.078 0.000 0.847 184 D CB -0.063 40.773 40.800 0.059 0.000 0.933 184 D HN 0.432 nan 8.370 nan 0.000 0.513 185 L N 0.856 122.145 121.223 0.110 0.000 2.456 185 L HA 0.110 4.449 4.340 -0.001 0.000 0.272 185 L C 0.498 177.463 176.870 0.159 0.000 1.189 185 L CA -0.150 54.764 54.840 0.123 0.000 0.846 185 L CB 0.364 42.489 42.059 0.110 0.000 1.111 185 L HN -0.017 nan 8.230 nan 0.000 0.475 186 H N 2.521 121.624 119.070 0.055 0.000 2.552 186 H HA 0.590 5.145 4.556 -0.001 0.000 0.311 186 H C -0.529 174.824 175.328 0.041 0.000 1.071 186 H CA -0.445 55.632 56.048 0.047 0.000 1.307 186 H CB 1.102 30.882 29.762 0.029 0.000 1.416 186 H HN 0.659 nan 8.280 nan 0.000 0.464 187 A N 4.002 126.614 122.820 -0.346 0.000 2.325 187 A HA 0.407 4.726 4.320 -0.001 0.000 0.333 187 A C 0.292 177.569 177.584 -0.511 0.000 1.155 187 A CA -0.582 51.281 52.037 -0.289 0.000 0.814 187 A CB 0.983 19.945 19.000 -0.063 0.000 1.206 187 A HN 0.971 nan 8.150 nan 0.000 0.482 188 E N 1.028 120.976 120.200 -0.421 0.000 2.508 188 E HA 0.209 4.558 4.350 -0.001 0.000 0.217 188 E C 0.530 176.644 176.600 -0.810 0.000 0.896 188 E CA 0.323 56.374 56.400 -0.581 0.000 1.118 188 E CB 0.458 29.957 29.700 -0.335 0.000 1.133 188 E HN 0.737 nan 8.360 nan 0.000 0.526 189 I N 0.284 120.637 120.570 -0.362 0.000 3.534 189 I HA 0.087 4.256 4.170 -0.001 0.000 0.251 189 I C 0.568 176.780 176.117 0.160 0.000 1.136 189 I CA -0.103 61.122 61.300 -0.124 0.000 1.475 189 I CB 0.416 38.377 38.000 -0.065 0.000 1.526 189 I HN -0.113 nan 8.210 nan 0.000 0.454 190 L N 3.173 124.453 121.223 0.096 0.000 2.452 190 L HA 0.103 4.442 4.340 -0.001 0.000 0.267 190 L C -1.359 175.585 176.870 0.122 0.000 1.188 190 L CA -1.133 53.771 54.840 0.107 0.000 0.821 190 L CB 0.097 42.199 42.059 0.072 0.000 1.102 190 L HN 0.001 nan 8.230 nan 0.000 0.470 191 P HA -0.081 nan 4.420 nan 0.000 0.221 191 P C 0.215 177.542 177.300 0.045 0.000 1.150 191 P CA 0.733 63.875 63.100 0.069 0.000 0.800 191 P CB 0.486 32.235 31.700 0.082 0.000 0.787 192 S N -1.270 114.453 115.700 0.039 0.000 2.720 192 S HA 0.525 4.994 4.470 -0.001 0.000 0.278 192 S C 1.222 175.879 174.600 0.095 0.000 1.172 192 S CA -0.289 57.935 58.200 0.039 0.000 1.019 192 S CB 0.669 63.867 63.200 -0.003 0.000 1.049 192 S HN 0.049 nan 8.310 nan 0.000 0.483 193 G N 3.242 112.113 108.800 0.118 0.000 2.442 193 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.219 193 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.219 193 G C 1.280 176.281 174.900 0.169 0.000 1.141 193 G CA 1.009 46.205 45.100 0.160 0.000 0.763 193 G HN 0.940 nan 8.290 nan 0.000 0.554 194 G N -0.533 108.320 108.800 0.088 0.000 2.511 194 G HA2 0.036 3.995 3.960 -0.001 0.000 0.217 194 G HA3 0.036 3.995 3.960 -0.001 0.000 0.217 194 G C 0.614 175.531 174.900 0.028 0.000 1.133 194 G CA 0.384 45.518 45.100 0.057 0.000 0.792 194 G HN 0.340 nan 8.290 nan 0.000 0.539 195 D N -0.347 120.042 120.400 -0.018 0.000 2.384 195 D HA 0.210 4.849 4.640 -0.001 0.000 0.244 195 D C 1.450 177.641 176.300 -0.183 0.000 1.251 195 D CA -0.149 53.800 54.000 -0.085 0.000 0.961 195 D CB 0.872 41.615 40.800 -0.095 0.000 1.116 195 D HN 0.019 nan 8.370 nan 0.000 0.484 196 K N -0.075 120.223 120.400 -0.171 0.000 2.186 196 K HA 0.039 4.358 4.320 -0.001 0.000 0.202 196 K C 0.298 176.730 176.600 -0.279 0.000 1.052 196 K CA 0.814 57.012 56.287 -0.148 0.000 0.965 196 K CB 0.263 32.720 32.500 -0.072 0.000 0.746 196 K HN 0.153 nan 8.250 nan 0.000 0.457 197 K N 0.662 120.786 120.400 -0.461 0.000 2.316 197 K HA 0.314 4.633 4.320 -0.001 0.000 0.251 197 K C -0.954 175.058 176.600 -0.979 0.000 0.934 197 K CA -0.668 55.283 56.287 -0.560 0.000 0.802 197 K CB 1.829 34.079 32.500 -0.418 0.000 1.171 197 K HN 0.019 nan 8.250 nan 0.000 0.426 198 H N 1.645 120.409 119.070 -0.510 0.000 2.572 198 H HA 0.350 4.905 4.556 -0.002 0.000 0.359 198 H C -1.061 173.980 175.328 -0.477 0.000 1.134 198 H CA -0.602 55.174 56.048 -0.453 0.000 1.187 198 H CB 1.307 30.921 29.762 -0.246 0.000 1.597 198 H HN 0.453 nan 8.280 nan 0.000 0.524 199 Y N 0.265 120.616 120.300 0.086 0.000 2.536 199 Y HA 0.288 4.837 4.550 -0.002 0.000 0.347 199 Y C -2.233 173.692 175.900 0.041 0.000 1.000 199 Y CA -2.984 55.147 58.100 0.051 0.000 1.051 199 Y CB 1.107 39.591 38.460 0.039 0.000 1.259 199 Y HN 0.431 nan 8.280 nan 0.000 0.468 200 P HA 0.046 nan 4.420 nan 0.000 0.268 200 P C 0.362 177.729 177.300 0.113 0.000 1.205 200 P CA 0.175 63.351 63.100 0.127 0.000 0.771 200 P CB 0.938 32.711 31.700 0.121 0.000 0.858 201 I N 2.734 123.346 120.570 0.070 0.000 3.526 201 I HA 0.210 4.379 4.170 -0.001 0.000 0.294 201 I C 0.524 176.644 176.117 0.004 0.000 1.229 201 I CA -0.018 61.308 61.300 0.043 0.000 1.408 201 I CB -0.635 37.382 38.000 0.028 0.000 1.127 201 I HN 0.277 nan 8.210 nan 0.000 0.439 202 A N 0.557 123.369 122.820 -0.013 0.000 2.561 202 A HA 0.129 4.448 4.320 -0.001 0.000 0.251 202 A C 0.164 177.757 177.584 0.015 0.000 1.062 202 A CA 0.158 52.128 52.037 -0.112 0.000 0.761 202 A CB -1.331 17.655 19.000 -0.022 0.000 0.986 202 A HN 0.447 nan 8.150 nan 0.000 0.510 203 F N -0.012 119.961 119.950 0.039 0.000 3.093 203 F HA -0.201 4.325 4.527 -0.002 0.000 0.287 203 F C 0.485 176.302 175.800 0.029 0.000 0.882 203 F CA 1.425 59.445 58.000 0.034 0.000 1.063 203 F CB -1.938 37.079 39.000 0.028 0.000 1.097 203 F HN 0.774 nan 8.300 nan 0.000 0.604 204 N N 0.166 118.939 118.700 0.122 0.000 2.571 204 N HA 0.856 5.596 4.740 -0.001 0.000 0.273 204 N C -1.273 174.268 175.510 0.052 0.000 1.340 204 N CA -0.246 52.855 53.050 0.084 0.000 0.789 204 N CB 2.014 40.544 38.487 0.072 0.000 1.514 204 N HN 0.161 nan 8.380 nan 0.000 0.499 205 A N 1.530 124.369 122.820 0.032 0.000 2.411 205 A HA 0.560 4.879 4.320 -0.001 0.000 0.285 205 A C -1.445 176.136 177.584 -0.004 0.000 1.129 205 A CA -0.493 51.550 52.037 0.010 0.000 0.736 205 A CB 0.143 19.142 19.000 -0.002 0.000 1.186 205 A HN 0.519 nan 8.150 nan 0.000 0.445 206 L N 4.714 125.940 121.223 0.004 0.000 2.262 206 L HA 0.406 4.745 4.340 -0.001 0.000 0.288 206 L C -1.757 175.111 176.870 -0.002 0.000 1.035 206 L CA -1.780 53.071 54.840 0.018 0.000 0.820 206 L CB 2.078 44.177 42.059 0.067 0.000 1.204 206 L HN 0.512 nan 8.230 nan 0.000 0.424 207 P HA 0.008 nan 4.420 nan 0.000 0.226 207 P C -0.630 176.672 177.300 0.003 0.000 1.758 207 P CA 0.098 63.189 63.100 -0.016 0.000 0.896 207 P CB 0.200 31.896 31.700 -0.007 0.000 1.784 208 Q N 0.985 120.775 119.800 -0.017 0.000 2.263 208 Q HA 0.474 4.813 4.340 -0.001 0.000 0.262 208 Q C -1.660 174.285 176.000 -0.093 0.000 0.984 208 Q CA -0.590 55.156 55.803 -0.095 0.000 0.813 208 Q CB 1.838 30.570 28.738 -0.011 0.000 1.299 208 Q HN 0.130 nan 8.270 nan 0.000 0.428 209 I N 3.488 123.972 120.570 -0.144 0.000 2.498 209 I HA 0.362 4.531 4.170 -0.001 0.000 0.290 209 I C -0.200 175.850 176.117 -0.111 0.000 1.032 209 I CA -0.543 60.698 61.300 -0.098 0.000 1.073 209 I CB 1.810 39.757 38.000 -0.090 0.000 1.251 209 I HN 0.833 nan 8.210 nan 0.000 0.426 210 D N 2.187 122.555 120.400 -0.054 0.000 4.556 210 D HA -0.173 4.466 4.640 -0.001 0.000 0.303 210 D C -0.701 175.544 176.300 -0.091 0.000 2.368 210 D CA 0.964 54.956 54.000 -0.013 0.000 1.145 210 D CB 0.279 41.125 40.800 0.076 0.000 1.097 210 D HN 0.359 nan 8.370 nan 0.000 1.280 211 V N -1.761 118.130 119.914 -0.039 0.000 3.134 211 V HA 0.707 4.826 4.120 -0.001 0.000 0.313 211 V C 0.635 176.663 176.094 -0.110 0.000 1.069 211 V CA -0.725 61.543 62.300 -0.054 0.000 1.048 211 V CB 0.743 32.576 31.823 0.017 0.000 1.119 211 V HN 0.363 nan 8.190 nan 0.000 0.461 212 F N 1.346 121.323 119.950 0.045 0.000 2.399 212 F HA 0.554 5.080 4.527 -0.001 0.000 0.342 212 F C 1.221 177.052 175.800 0.052 0.000 1.106 212 F CA 0.390 58.423 58.000 0.056 0.000 1.196 212 F CB 1.520 40.540 39.000 0.034 0.000 1.163 212 F HN 0.919 nan 8.300 nan 0.000 0.547 213 T N -2.106 112.604 114.554 0.260 0.000 2.897 213 T HA 0.209 4.558 4.350 -0.001 0.000 0.278 213 T C 0.651 175.455 174.700 0.173 0.000 0.981 213 T CA -0.563 61.640 62.100 0.172 0.000 0.973 213 T CB 1.161 70.128 68.868 0.164 0.000 1.092 213 T HN 0.579 nan 8.240 nan 0.000 0.543 214 D N -0.090 120.377 120.400 0.110 0.000 2.378 214 D HA -0.085 4.554 4.640 -0.001 0.000 0.227 214 D C 0.986 177.346 176.300 0.100 0.000 1.012 214 D CA 0.241 54.292 54.000 0.086 0.000 0.905 214 D CB -0.537 40.293 40.800 0.050 0.000 0.895 214 D HN 0.645 nan 8.370 nan 0.000 0.532 215 N N -0.020 118.769 118.700 0.148 0.000 2.235 215 N HA -0.028 4.711 4.740 -0.001 0.000 0.209 215 N C -0.284 175.381 175.510 0.257 0.000 1.122 215 N CA 0.039 53.198 53.050 0.182 0.000 0.845 215 N CB 0.143 38.734 38.487 0.174 0.000 1.004 215 N HN -0.138 nan 8.380 nan 0.000 0.499 216 D N -1.559 118.978 120.400 0.228 0.000 2.946 216 D HA -0.216 4.423 4.640 -0.001 0.000 0.202 216 D C -0.853 175.607 176.300 0.265 0.000 1.068 216 D CA 0.933 55.055 54.000 0.203 0.000 1.011 216 D CB -1.745 39.084 40.800 0.048 0.000 1.105 216 D HN 0.486 nan 8.370 nan 0.000 0.425 217 Y N 0.859 121.275 120.300 0.193 0.000 2.307 217 Y HA 0.342 4.891 4.550 -0.002 0.000 0.324 217 Y C 1.838 177.807 175.900 0.116 0.000 1.238 217 Y CA 0.008 58.194 58.100 0.144 0.000 1.280 217 Y CB 0.840 39.345 38.460 0.075 0.000 1.248 217 Y HN -0.117 nan 8.280 nan 0.000 0.508 218 T N -1.383 113.221 114.554 0.083 0.000 2.828 218 T HA -0.020 4.329 4.350 -0.001 0.000 0.290 218 T C 0.707 175.453 174.700 0.076 0.000 1.019 218 T CA -0.426 61.604 62.100 -0.118 0.000 1.031 218 T CB 0.465 69.118 68.868 -0.358 0.000 1.001 218 T HN 0.662 nan 8.240 nan 0.000 0.531 219 Y N 0.657 120.912 120.300 -0.075 0.000 2.274 219 Y HA -0.054 4.495 4.550 -0.001 0.000 0.290 219 Y C 2.471 178.350 175.900 -0.035 0.000 1.145 219 Y CA 1.929 60.007 58.100 -0.036 0.000 1.203 219 Y CB -0.570 37.868 38.460 -0.035 0.000 0.984 219 Y HN 0.923 nan 8.280 nan 0.000 0.533 220 E N 0.322 120.472 120.200 -0.083 0.000 2.077 220 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 220 E C 1.943 178.475 176.600 -0.113 0.000 0.989 220 E CA 1.971 58.285 56.400 -0.143 0.000 0.800 220 E CB -0.139 29.501 29.700 -0.100 0.000 0.746 220 E HN 0.634 nan 8.360 nan 0.000 0.452 221 E N -0.729 119.449 120.200 -0.036 0.000 2.072 221 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 221 E C 1.902 178.492 176.600 -0.016 0.000 0.985 221 E CA 1.181 57.600 56.400 0.032 0.000 0.801 221 E CB -0.071 29.744 29.700 0.193 0.000 0.750 221 E HN 0.291 nan 8.360 nan 0.000 0.452 222 M N 0.699 120.280 119.600 -0.032 0.000 2.319 222 M HA -0.064 4.415 4.480 -0.001 0.000 0.265 222 M C 1.789 178.007 176.300 -0.137 0.000 1.068 222 M CA 1.314 56.569 55.300 -0.074 0.000 1.118 222 M CB -0.486 32.124 32.600 0.017 0.000 1.395 222 M HN -0.014 nan 8.290 nan 0.000 0.435 223 K N -0.187 120.066 120.400 -0.246 0.000 2.057 223 K HA -0.052 4.267 4.320 -0.001 0.000 0.207 223 K C 2.034 178.545 176.600 -0.149 0.000 1.049 223 K CA 1.177 57.302 56.287 -0.271 0.000 0.931 223 K CB -0.121 32.139 32.500 -0.400 0.000 0.714 223 K HN 0.317 nan 8.250 nan 0.000 0.440 224 M N 0.186 119.718 119.600 -0.113 0.000 2.159 224 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 224 M C 2.128 178.392 176.300 -0.060 0.000 1.063 224 M CA 1.513 56.772 55.300 -0.068 0.000 1.110 224 M CB -0.524 32.050 32.600 -0.043 0.000 1.374 224 M HN 0.140 nan 8.290 nan 0.000 0.411 225 T N 0.729 115.239 114.554 -0.072 0.000 2.643 225 T HA -0.126 4.223 4.350 -0.001 0.000 0.264 225 T C 1.841 176.503 174.700 -0.062 0.000 1.045 225 T CA 1.317 63.374 62.100 -0.072 0.000 1.155 225 T CB -0.122 68.681 68.868 -0.108 0.000 0.863 225 T HN 0.363 nan 8.240 nan 0.000 0.420 226 K N 0.770 121.130 120.400 -0.068 0.000 2.103 226 K HA -0.013 4.306 4.320 -0.001 0.000 0.204 226 K C 2.458 179.032 176.600 -0.043 0.000 1.052 226 K CA 1.042 57.298 56.287 -0.051 0.000 0.945 226 K CB -0.055 32.417 32.500 -0.046 0.000 0.722 226 K HN 0.431 nan 8.250 nan 0.000 0.443 227 E N 0.197 120.364 120.200 -0.055 0.000 2.106 227 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 227 E C 1.936 178.518 176.600 -0.030 0.000 0.984 227 E CA 1.269 57.643 56.400 -0.043 0.000 0.806 227 E CB -0.051 29.616 29.700 -0.054 0.000 0.750 227 E HN 0.214 nan 8.360 nan 0.000 0.458 228 T N 1.288 115.822 114.554 -0.032 0.000 2.684 228 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 228 T C 1.709 176.399 174.700 -0.017 0.000 1.036 228 T CA 1.335 63.421 62.100 -0.024 0.000 1.148 228 T CB -0.100 68.753 68.868 -0.026 0.000 0.863 228 T HN 0.101 nan 8.240 nan 0.000 0.436 229 K N 0.725 121.113 120.400 -0.020 0.000 2.097 229 K HA -0.070 4.249 4.320 -0.001 0.000 0.206 229 K C 2.379 178.976 176.600 -0.005 0.000 1.049 229 K CA 1.098 57.377 56.287 -0.013 0.000 0.933 229 K CB -0.078 32.411 32.500 -0.018 0.000 0.717 229 K HN 0.239 nan 8.250 nan 0.000 0.442 230 K N 1.238 121.635 120.400 -0.006 0.000 2.031 230 K HA -0.068 4.251 4.320 -0.001 0.000 0.205 230 K C 2.007 178.612 176.600 0.009 0.000 1.049 230 K CA 1.004 57.293 56.287 0.003 0.000 0.939 230 K CB 0.006 32.505 32.500 -0.001 0.000 0.717 230 K HN 0.001 nan 8.250 nan 0.000 0.438 231 I N 0.691 121.261 120.570 -0.000 0.000 2.226 231 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 231 I C 2.212 178.341 176.117 0.021 0.000 1.100 231 I CA 1.322 62.622 61.300 0.000 0.000 1.374 231 I CB -0.036 37.959 38.000 -0.008 0.000 1.057 231 I HN 0.226 nan 8.210 nan 0.000 0.413 232 M N -0.226 119.384 119.600 0.017 0.000 2.561 232 M HA 0.025 4.504 4.480 -0.001 0.000 0.238 232 M C -0.128 176.192 176.300 0.032 0.000 1.131 232 M CA 0.475 55.790 55.300 0.025 0.000 1.046 232 M CB 0.057 32.660 32.600 0.006 0.000 1.532 232 M HN 0.084 nan 8.290 nan 0.000 0.497 233 E N 1.551 121.772 120.200 0.034 0.000 2.269 233 E HA -0.228 4.121 4.350 -0.001 0.000 0.223 233 E C -0.490 176.119 176.600 0.016 0.000 1.244 233 E CA 0.380 56.800 56.400 0.033 0.000 0.713 233 E CB -1.452 28.282 29.700 0.057 0.000 1.178 233 E HN 0.340 nan 8.360 nan 0.000 0.370 234 D N 0.023 120.427 120.400 0.007 0.000 2.337 234 D HA 0.105 4.745 4.640 -0.001 0.000 0.238 234 D C -0.013 176.285 176.300 -0.004 0.000 1.331 234 D CA -0.490 53.511 54.000 0.000 0.000 0.967 234 D CB 0.777 41.576 40.800 -0.001 0.000 1.382 234 D HN -0.133 nan 8.370 nan 0.000 0.549 235 D N 0.477 120.874 120.400 -0.005 0.000 2.310 235 D HA -0.115 4.524 4.640 -0.001 0.000 0.212 235 D C 1.818 178.112 176.300 -0.010 0.000 0.965 235 D CA 0.741 54.736 54.000 -0.009 0.000 0.879 235 D CB 0.305 41.101 40.800 -0.008 0.000 0.921 235 D HN 0.430 nan 8.370 nan 0.000 0.510 236 S N -0.184 115.512 115.700 -0.008 0.000 2.522 236 S HA -0.006 4.463 4.470 -0.001 0.000 0.227 236 S C 1.051 175.646 174.600 -0.008 0.000 0.986 236 S CA -0.232 57.964 58.200 -0.007 0.000 0.929 236 S CB -0.298 62.899 63.200 -0.005 0.000 0.769 236 S HN 0.128 nan 8.310 nan 0.000 0.529 237 I N 2.879 123.442 120.570 -0.011 0.000 2.505 237 I HA 0.236 4.405 4.170 -0.001 0.000 0.287 237 I C 0.742 176.850 176.117 -0.015 0.000 1.104 237 I CA -0.343 60.950 61.300 -0.013 0.000 1.387 237 I CB 0.379 38.370 38.000 -0.016 0.000 1.404 237 I HN 0.247 nan 8.210 nan 0.000 0.528 238 A N 7.288 130.102 122.820 -0.010 0.000 2.409 238 A HA 0.573 4.892 4.320 -0.001 0.000 0.267 238 A C -0.280 177.300 177.584 -0.007 0.000 1.127 238 A CA -0.231 51.801 52.037 -0.008 0.000 0.795 238 A CB 0.340 19.343 19.000 0.005 0.000 1.061 238 A HN 0.516 nan 8.150 nan 0.000 0.502 239 V N 2.639 122.542 119.914 -0.018 0.000 2.612 239 V HA 0.511 4.630 4.120 -0.001 0.000 0.301 239 V C -0.177 175.901 176.094 -0.026 0.000 1.059 239 V CA -0.428 61.864 62.300 -0.013 0.000 0.886 239 V CB 1.798 33.606 31.823 -0.025 0.000 1.007 239 V HN 0.877 nan 8.190 nan 0.000 0.426 240 S N 2.771 118.485 115.700 0.024 0.000 2.526 240 S HA 0.926 5.396 4.470 -0.001 0.000 0.293 240 S C -0.272 174.405 174.600 0.128 0.000 1.092 240 S CA -0.417 57.823 58.200 0.067 0.000 0.980 240 S CB 2.030 65.312 63.200 0.138 0.000 1.048 240 S HN 1.163 nan 8.310 nan 0.000 0.483 241 A N 1.876 124.810 122.820 0.189 0.000 2.435 241 A HA 0.850 5.169 4.320 -0.001 0.000 0.304 241 A C -0.670 177.014 177.584 0.167 0.000 1.064 241 A CA -0.729 51.394 52.037 0.143 0.000 0.727 241 A CB 1.450 20.496 19.000 0.078 0.000 1.284 241 A HN 0.580 nan 8.150 nan 0.000 0.415 242 T N 1.199 115.799 114.554 0.076 0.000 2.809 242 T HA 0.467 4.816 4.350 -0.001 0.000 0.284 242 T C -0.848 173.836 174.700 -0.027 0.000 0.992 242 T CA -0.152 61.957 62.100 0.014 0.000 0.957 242 T CB 0.441 69.302 68.868 -0.012 0.000 0.942 242 T HN 0.661 nan 8.240 nan 0.000 0.439 243 C N 4.019 123.289 119.300 -0.049 0.000 2.298 243 C HA 0.759 5.218 4.460 -0.001 0.000 0.323 243 C C 0.081 175.008 174.990 -0.105 0.000 1.284 243 C CA -0.781 58.187 59.018 -0.084 0.000 1.577 243 C CB -0.128 27.561 27.740 -0.085 0.000 2.249 243 C HN 0.694 nan 8.230 nan 0.000 0.497 244 V N 3.852 123.687 119.914 -0.133 0.000 2.588 244 V HA 0.507 4.626 4.120 -0.001 0.000 0.304 244 V C -0.125 175.906 176.094 -0.105 0.000 1.042 244 V CA -0.661 61.563 62.300 -0.127 0.000 0.877 244 V CB 1.812 33.519 31.823 -0.194 0.000 0.996 244 V HN 0.765 nan 8.190 nan 0.000 0.425 245 R N 4.325 124.789 120.500 -0.059 0.000 2.308 245 R HA 0.680 5.019 4.340 -0.001 0.000 0.305 245 R C -0.487 175.814 176.300 0.002 0.000 1.053 245 R CA -0.085 56.001 56.100 -0.022 0.000 0.957 245 R CB 0.564 30.865 30.300 0.002 0.000 1.022 245 R HN 0.815 nan 8.270 nan 0.000 0.461 246 I N 0.533 121.123 120.570 0.034 0.000 3.067 246 I HA 0.650 4.819 4.170 -0.001 0.000 0.312 246 I C -2.193 173.952 176.117 0.047 0.000 1.073 246 I CA -3.328 58.005 61.300 0.055 0.000 1.016 246 I CB 2.702 40.769 38.000 0.113 0.000 1.227 246 I HN 0.452 nan 8.210 nan 0.000 0.456 247 P HA 0.238 nan 4.420 nan 0.000 0.230 247 P C -0.876 176.424 177.300 -0.001 0.000 1.791 247 P CA 0.058 63.142 63.100 -0.026 0.000 1.020 247 P CB -0.022 31.607 31.700 -0.119 0.000 1.977 248 V N 2.767 122.704 119.914 0.038 0.000 2.656 248 V HA 0.222 4.341 4.120 -0.001 0.000 0.307 248 V C 1.482 177.605 176.094 0.049 0.000 1.051 248 V CA -0.529 61.803 62.300 0.054 0.000 0.893 248 V CB 2.360 34.242 31.823 0.098 0.000 0.999 248 V HN 0.207 nan 8.190 nan 0.000 0.426 249 L N 1.731 122.972 121.223 0.032 0.000 2.068 249 L HA 0.131 4.470 4.340 -0.001 0.000 0.204 249 L C 0.775 177.663 176.870 0.031 0.000 1.076 249 L CA 1.232 56.088 54.840 0.025 0.000 0.753 249 L CB 0.035 42.101 42.059 0.011 0.000 0.910 249 L HN 0.616 nan 8.230 nan 0.000 0.439 250 S N -1.484 114.232 115.700 0.027 0.000 2.549 250 S HA 0.742 5.211 4.470 -0.001 0.000 0.280 250 S C -0.887 173.720 174.600 0.013 0.000 1.109 250 S CA -0.204 57.999 58.200 0.006 0.000 0.905 250 S CB 2.242 65.439 63.200 -0.006 0.000 1.081 250 S HN 0.362 nan 8.310 nan 0.000 0.477 251 A N 2.514 125.312 122.820 -0.036 0.000 2.435 251 A HA 0.063 4.382 4.320 -0.001 0.000 0.686 251 A C -1.004 176.627 177.584 0.078 0.000 0.138 251 A CA -0.593 51.431 52.037 -0.021 0.000 0.026 251 A CB -1.417 17.600 19.000 0.029 0.000 3.973 251 A HN 0.767 nan 8.150 nan 0.000 0.548 252 H N 1.361 120.438 119.070 0.012 0.000 2.525 252 H HA 0.722 5.277 4.556 -0.001 0.000 0.339 252 H C 0.640 175.913 175.328 -0.092 0.000 1.109 252 H CA 0.194 56.237 56.048 -0.009 0.000 1.352 252 H CB 1.479 31.236 29.762 -0.008 0.000 1.461 252 H HN 0.767 nan 8.280 nan 0.000 0.533 253 S N 2.020 117.704 115.700 -0.027 0.000 2.568 253 S HA 0.531 5.000 4.470 -0.001 0.000 0.302 253 S C -0.344 174.004 174.600 -0.419 0.000 1.082 253 S CA -1.020 56.901 58.200 -0.465 0.000 1.009 253 S CB 2.003 64.754 63.200 -0.748 0.000 1.069 253 S HN 0.542 nan 8.310 nan 0.000 0.500 254 E N 0.751 120.550 120.200 -0.669 0.000 2.275 254 E HA 0.363 4.713 4.350 -0.001 0.000 0.270 254 E C -1.348 175.181 176.600 -0.118 0.000 0.882 254 E CA -0.474 55.800 56.400 -0.209 0.000 0.758 254 E CB 2.033 31.686 29.700 -0.080 0.000 1.195 254 E HN 0.440 nan 8.360 nan 0.000 0.419 255 S N 2.466 118.347 115.700 0.303 0.000 2.416 255 S HA 0.303 4.772 4.470 -0.001 0.000 0.287 255 S C -0.538 174.238 174.600 0.294 0.000 1.139 255 S CA -0.518 57.947 58.200 0.441 0.000 1.058 255 S CB 0.095 63.626 63.200 0.552 0.000 0.967 255 S HN 0.289 nan 8.310 nan 0.000 0.495 256 V N 6.856 126.917 119.914 0.245 0.000 2.417 256 V HA 0.432 4.551 4.120 -0.001 0.000 0.291 256 V C -0.743 175.458 176.094 0.179 0.000 1.024 256 V CA -0.843 61.557 62.300 0.167 0.000 0.861 256 V CB 1.160 33.035 31.823 0.087 0.000 0.985 256 V HN 0.847 nan 8.190 nan 0.000 0.436 257 Y N 6.665 126.959 120.300 -0.010 0.000 2.352 257 Y HA 0.800 5.349 4.550 -0.002 0.000 0.339 257 Y C -0.295 175.532 175.900 -0.123 0.000 0.992 257 Y CA -1.146 56.846 58.100 -0.180 0.000 1.100 257 Y CB 1.528 39.852 38.460 -0.226 0.000 1.192 257 Y HN 0.685 nan 8.280 nan 0.000 0.458 258 I N 1.677 121.739 120.570 -0.848 0.000 2.785 258 I HA 0.679 4.848 4.170 -0.001 0.000 0.302 258 I C -1.446 174.140 176.117 -0.885 0.000 1.069 258 I CA -1.065 59.844 61.300 -0.652 0.000 1.045 258 I CB 2.701 40.514 38.000 -0.310 0.000 1.236 258 I HN 0.569 nan 8.210 nan 0.000 0.429 259 E N 3.081 122.986 120.200 -0.491 0.000 2.176 259 E HA 0.369 4.718 4.350 -0.001 0.000 0.267 259 E C -0.649 175.859 176.600 -0.154 0.000 0.893 259 E CA -0.796 55.427 56.400 -0.294 0.000 0.761 259 E CB 2.211 31.819 29.700 -0.154 0.000 1.133 259 E HN 0.793 nan 8.360 nan 0.000 0.409 260 T N -0.191 114.295 114.554 -0.114 0.000 2.788 260 T HA 0.230 4.579 4.350 -0.001 0.000 0.280 260 T C 0.985 175.686 174.700 0.003 0.000 0.984 260 T CA -0.651 61.432 62.100 -0.029 0.000 0.972 260 T CB 1.373 70.240 68.868 -0.001 0.000 1.039 260 T HN 0.319 nan 8.240 nan 0.000 0.530 261 K N -0.008 120.419 120.400 0.046 0.000 2.137 261 K HA 0.084 4.404 4.320 -0.001 0.000 0.202 261 K C 0.437 177.074 176.600 0.062 0.000 1.052 261 K CA 0.752 57.066 56.287 0.044 0.000 0.961 261 K CB 0.179 32.706 32.500 0.045 0.000 0.741 261 K HN 0.590 nan 8.250 nan 0.000 0.452 262 E N 0.912 121.180 120.200 0.114 0.000 2.244 262 E HA 0.211 4.560 4.350 -0.001 0.000 0.266 262 E C -0.619 176.032 176.600 0.085 0.000 0.914 262 E CA -0.794 55.683 56.400 0.130 0.000 0.794 262 E CB 2.226 32.053 29.700 0.212 0.000 1.210 262 E HN -0.246 nan 8.360 nan 0.000 0.414 263 V N 1.309 121.239 119.914 0.026 0.000 2.557 263 V HA 0.159 4.278 4.120 -0.001 0.000 0.301 263 V C 0.266 176.205 176.094 -0.259 0.000 1.026 263 V CA 0.259 62.509 62.300 -0.083 0.000 1.137 263 V CB 0.382 32.175 31.823 -0.050 0.000 0.917 263 V HN 0.705 nan 8.190 nan 0.000 0.484 264 A N 7.962 130.458 122.820 -0.540 0.000 2.328 264 A HA 0.727 5.046 4.320 -0.001 0.000 0.318 264 A C -2.462 174.677 177.584 -0.742 0.000 1.347 264 A CA -1.739 49.545 52.037 -1.256 0.000 0.842 264 A CB 0.562 18.638 19.000 -1.540 0.000 1.148 264 A HN 0.678 nan 8.150 nan 0.000 0.499 265 P HA 0.028 nan 4.420 nan 0.000 0.264 265 P C 1.013 178.158 177.300 -0.259 0.000 1.193 265 P CA -0.298 62.652 63.100 -0.250 0.000 0.763 265 P CB 0.498 32.137 31.700 -0.102 0.000 0.810 266 I N 2.464 122.936 120.570 -0.163 0.000 2.208 266 I HA -0.184 3.985 4.170 -0.001 0.000 0.245 266 I C 1.899 177.978 176.117 -0.063 0.000 1.097 266 I CA 1.652 62.881 61.300 -0.118 0.000 1.363 266 I CB -1.111 36.854 38.000 -0.057 0.000 1.051 266 I HN 0.446 nan 8.210 nan 0.000 0.413 267 E N 0.730 120.912 120.200 -0.030 0.000 2.153 267 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 267 E C 2.036 178.661 176.600 0.041 0.000 0.988 267 E CA 0.903 57.311 56.400 0.013 0.000 0.811 267 E CB -0.108 29.605 29.700 0.022 0.000 0.746 267 E HN 0.605 nan 8.360 nan 0.000 0.466 268 E N 0.256 120.479 120.200 0.039 0.000 2.158 268 E HA -0.064 4.285 4.350 -0.001 0.000 0.191 268 E C 2.202 178.930 176.600 0.213 0.000 0.982 268 E CA 0.520 57.015 56.400 0.159 0.000 0.823 268 E CB 0.158 30.023 29.700 0.274 0.000 0.766 268 E HN 0.013 nan 8.360 nan 0.000 0.468 269 V N 1.795 121.693 119.914 -0.026 0.000 2.358 269 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 269 V C 2.118 178.268 176.094 0.094 0.000 1.047 269 V CA 1.732 64.028 62.300 -0.007 0.000 1.035 269 V CB -0.350 31.350 31.823 -0.204 0.000 0.658 269 V HN 0.176 nan 8.190 nan 0.000 0.452 270 K N 0.261 120.698 120.400 0.061 0.000 2.032 270 K HA -0.184 4.135 4.320 -0.001 0.000 0.209 270 K C 2.294 178.958 176.600 0.106 0.000 1.048 270 K CA 1.632 57.967 56.287 0.081 0.000 0.927 270 K CB -0.457 32.084 32.500 0.067 0.000 0.712 270 K HN 0.481 nan 8.250 nan 0.000 0.441 271 A N 1.307 124.198 122.820 0.118 0.000 1.933 271 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 271 A C 2.339 180.008 177.584 0.142 0.000 1.175 271 A CA 1.818 53.929 52.037 0.122 0.000 0.628 271 A CB -0.632 18.440 19.000 0.120 0.000 0.814 271 A HN 0.349 nan 8.150 nan 0.000 0.444 272 A N -0.154 122.779 122.820 0.187 0.000 1.898 272 A HA -0.012 4.307 4.320 -0.001 0.000 0.216 272 A C 2.108 179.794 177.584 0.170 0.000 1.181 272 A CA 1.397 53.545 52.037 0.186 0.000 0.620 272 A CB -0.537 18.619 19.000 0.260 0.000 0.819 272 A HN 0.484 nan 8.150 nan 0.000 0.442 273 I N -0.233 120.426 120.570 0.149 0.000 2.202 273 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 273 I C 2.962 179.175 176.117 0.161 0.000 1.091 273 I CA 1.001 62.380 61.300 0.131 0.000 1.368 273 I CB -0.345 37.712 38.000 0.095 0.000 1.058 273 I HN 0.346 nan 8.210 nan 0.000 0.410 274 A N 0.730 123.630 122.820 0.133 0.000 1.940 274 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 274 A C 2.378 180.031 177.584 0.116 0.000 1.176 274 A CA 1.889 53.995 52.037 0.114 0.000 0.631 274 A CB -0.688 18.370 19.000 0.097 0.000 0.814 274 A HN 0.450 nan 8.150 nan 0.000 0.446 275 A N -2.143 120.758 122.820 0.135 0.000 2.208 275 A HA 0.364 4.683 4.320 -0.001 0.000 0.209 275 A C 0.526 178.196 177.584 0.143 0.000 1.161 275 A CA -0.143 51.964 52.037 0.116 0.000 0.782 275 A CB -0.377 18.687 19.000 0.107 0.000 0.816 275 A HN 0.427 nan 8.150 nan 0.000 0.477 276 F N 1.269 121.234 119.950 0.025 0.000 2.411 276 F HA 0.485 5.011 4.527 -0.002 0.000 0.350 276 F C -2.455 173.352 175.800 0.012 0.000 1.114 276 F CA -3.010 55.002 58.000 0.019 0.000 1.135 276 F CB 0.972 39.986 39.000 0.023 0.000 1.120 276 F HN -0.085 nan 8.300 nan 0.000 0.495 277 P HA 0.203 nan 4.420 nan 0.000 0.264 277 P C 0.408 177.578 177.300 -0.217 0.000 1.193 277 P CA 1.177 64.074 63.100 -0.338 0.000 0.763 277 P CB 0.585 32.050 31.700 -0.392 0.000 0.810 278 G N 1.852 110.618 108.800 -0.056 0.000 2.217 278 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.246 278 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.246 278 G C 0.251 175.152 174.900 0.002 0.000 0.990 278 G CA 0.005 45.112 45.100 0.012 0.000 0.627 278 G HN 0.878 nan 8.290 nan 0.000 0.522 279 A N -0.178 122.676 122.820 0.056 0.000 2.318 279 A HA 0.834 5.153 4.320 -0.001 0.000 0.324 279 A C -0.355 177.219 177.584 -0.017 0.000 1.170 279 A CA -0.249 51.809 52.037 0.035 0.000 0.810 279 A CB 2.140 21.250 19.000 0.184 0.000 1.198 279 A HN 1.131 nan 8.150 nan 0.000 0.484 280 V N 3.218 123.071 119.914 -0.102 0.000 2.487 280 V HA 0.320 4.439 4.120 -0.001 0.000 0.298 280 V C -0.489 175.674 176.094 0.115 0.000 1.028 280 V CA -0.563 61.733 62.300 -0.007 0.000 0.860 280 V CB 1.525 33.318 31.823 -0.051 0.000 0.991 280 V HN 0.843 nan 8.190 nan 0.000 0.427 281 L N 4.876 126.179 121.223 0.133 0.000 2.369 281 L HA 0.388 4.728 4.340 -0.001 0.000 0.279 281 L C 0.280 177.259 176.870 0.182 0.000 1.108 281 L CA 0.786 55.717 54.840 0.152 0.000 0.852 281 L CB 0.365 42.496 42.059 0.120 0.000 1.169 281 L HN 0.692 nan 8.230 nan 0.000 0.452 282 E N 4.221 124.550 120.200 0.215 0.000 2.376 282 E HA 0.244 4.594 4.350 -0.001 0.000 0.236 282 E C -1.297 175.401 176.600 0.163 0.000 0.962 282 E CA -0.177 56.331 56.400 0.180 0.000 0.768 282 E CB 0.680 30.498 29.700 0.198 0.000 1.236 282 E HN 0.423 nan 8.360 nan 0.000 0.431 283 D N 2.559 123.034 120.400 0.126 0.000 2.337 283 D HA 0.122 4.761 4.640 -0.001 0.000 0.238 283 D C -1.735 174.620 176.300 0.092 0.000 1.331 283 D CA -0.374 53.700 54.000 0.125 0.000 0.967 283 D CB 0.755 41.633 40.800 0.130 0.000 1.382 283 D HN 0.208 nan 8.370 nan 0.000 0.549 284 D N 3.203 123.649 120.400 0.077 0.000 2.527 284 D HA 0.040 4.679 4.640 -0.001 0.000 0.242 284 D C 1.345 177.674 176.300 0.048 0.000 1.285 284 D CA -0.460 53.583 54.000 0.072 0.000 0.886 284 D CB 0.960 41.819 40.800 0.100 0.000 1.402 284 D HN 0.097 nan 8.370 nan 0.000 0.528 285 V N 1.373 121.314 119.914 0.045 0.000 2.759 285 V HA 0.030 4.149 4.120 -0.001 0.000 0.256 285 V C 2.128 178.205 176.094 -0.029 0.000 1.080 285 V CA 1.601 63.926 62.300 0.041 0.000 1.101 285 V CB -0.801 31.055 31.823 0.054 0.000 0.698 285 V HN 0.394 nan 8.190 nan 0.000 0.477 286 A N -0.300 122.460 122.820 -0.099 0.000 2.019 286 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 286 A C 1.826 179.138 177.584 -0.453 0.000 1.164 286 A CA 1.718 53.591 52.037 -0.274 0.000 0.644 286 A CB -0.733 18.055 19.000 -0.354 0.000 0.805 286 A HN 0.799 nan 8.150 nan 0.000 0.449 287 H N -1.308 117.746 119.070 -0.028 0.000 2.510 287 H HA 0.252 4.808 4.556 -0.000 0.000 0.266 287 H C -0.366 174.901 175.328 -0.103 0.000 1.146 287 H CA 0.105 56.122 56.048 -0.052 0.000 0.993 287 H CB -0.077 29.655 29.762 -0.050 0.000 1.727 287 H HN 0.651 nan 8.280 nan 0.000 0.590 288 Q N 0.848 120.626 119.800 -0.037 0.000 2.451 288 Q HA -0.151 4.188 4.340 -0.001 0.000 0.305 288 Q C -0.466 175.195 176.000 -0.565 0.000 1.345 288 Q CA 0.394 56.101 55.803 -0.159 0.000 0.854 288 Q CB -0.940 27.746 28.738 -0.086 0.000 1.162 288 Q HN 0.363 nan 8.270 nan 0.000 0.440 289 I N 1.655 122.011 120.570 -0.357 0.000 2.321 289 I HA 0.392 4.561 4.170 -0.001 0.000 0.291 289 I C 0.050 176.005 176.117 -0.271 0.000 0.998 289 I CA -0.299 60.778 61.300 -0.371 0.000 1.227 289 I CB 0.066 38.003 38.000 -0.105 0.000 1.368 289 I HN 0.143 nan 8.210 nan 0.000 0.466 290 Y N 4.667 124.997 120.300 0.051 0.000 2.624 290 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 290 Y C -3.088 172.894 175.900 0.137 0.000 1.155 290 Y CA -3.495 54.663 58.100 0.095 0.000 1.046 290 Y CB 0.139 38.618 38.460 0.032 0.000 1.316 290 Y HN 0.282 nan 8.280 nan 0.000 0.457 291 P HA 0.195 nan 4.420 nan 0.000 0.266 291 P C -1.227 176.341 177.300 0.448 0.000 1.195 291 P CA 0.142 63.460 63.100 0.363 0.000 0.768 291 P CB 0.518 32.445 31.700 0.378 0.000 0.838 292 Q N 1.180 121.111 119.800 0.218 0.000 2.305 292 Q HA 0.494 4.833 4.340 -0.001 0.000 0.271 292 Q C 0.791 176.851 176.000 0.101 0.000 1.046 292 Q CA -0.781 55.156 55.803 0.223 0.000 0.798 292 Q CB 2.194 31.028 28.738 0.159 0.000 1.286 292 Q HN 0.367 nan 8.270 nan 0.000 0.435 293 A N 3.118 126.015 122.820 0.128 0.000 1.915 293 A HA -0.254 4.065 4.320 -0.001 0.000 0.220 293 A C 1.780 179.387 177.584 0.038 0.000 1.198 293 A CA 2.461 54.544 52.037 0.077 0.000 0.647 293 A CB -1.000 18.060 19.000 0.099 0.000 0.825 293 A HN 0.886 nan 8.150 nan 0.000 0.456 294 I N -3.199 117.394 120.570 0.038 0.000 2.493 294 I HA -0.177 3.992 4.170 -0.001 0.000 0.254 294 I C 1.569 177.671 176.117 -0.025 0.000 1.160 294 I CA 2.026 63.334 61.300 0.013 0.000 1.445 294 I CB -0.529 37.483 38.000 0.021 0.000 1.086 294 I HN 0.118 nan 8.210 nan 0.000 0.433 295 N N 1.923 120.586 118.700 -0.062 0.000 2.376 295 N HA 0.069 4.808 4.740 -0.001 0.000 0.177 295 N C 1.973 177.355 175.510 -0.213 0.000 1.024 295 N CA 1.450 54.411 53.050 -0.148 0.000 0.893 295 N CB -0.100 38.262 38.487 -0.208 0.000 0.980 295 N HN 0.534 nan 8.380 nan 0.000 0.439 296 A N 0.722 123.441 122.820 -0.169 0.000 2.016 296 A HA 0.068 4.387 4.320 -0.001 0.000 0.217 296 A C 0.946 178.566 177.584 0.061 0.000 1.162 296 A CA 0.124 52.136 52.037 -0.042 0.000 0.662 296 A CB -0.259 18.814 19.000 0.121 0.000 0.812 296 A HN 0.022 nan 8.150 nan 0.000 0.450 297 V N 0.301 120.224 119.914 0.015 0.000 2.617 297 V HA 0.351 4.470 4.120 -0.001 0.000 0.304 297 V C 1.666 177.770 176.094 0.016 0.000 1.040 297 V CA 1.419 63.729 62.300 0.017 0.000 1.149 297 V CB 0.022 31.847 31.823 0.004 0.000 0.914 297 V HN 1.136 nan 8.190 nan 0.000 0.487 298 G N 3.753 112.563 108.800 0.017 0.000 2.199 298 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.254 298 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.254 298 G C 0.386 175.286 174.900 0.001 0.000 0.982 298 G CA 0.305 45.406 45.100 0.002 0.000 0.632 298 G HN 1.119 nan 8.290 nan 0.000 0.529 299 S N -0.762 114.967 115.700 0.049 0.000 2.525 299 S HA 0.662 5.131 4.470 -0.001 0.000 0.290 299 S C 1.398 175.998 174.600 0.001 0.000 1.152 299 S CA -0.238 57.999 58.200 0.062 0.000 1.072 299 S CB 1.249 64.610 63.200 0.268 0.000 1.027 299 S HN 0.339 nan 8.310 nan 0.000 0.500 300 R N 1.576 121.981 120.500 -0.158 0.000 2.276 300 R HA 0.117 4.456 4.340 -0.001 0.000 0.203 300 R C -0.225 175.999 176.300 -0.128 0.000 1.017 300 R CA 0.321 56.252 56.100 -0.281 0.000 1.010 300 R CB -0.012 29.755 30.300 -0.888 0.000 0.900 300 R HN 0.609 nan 8.270 nan 0.000 0.469 301 D N 0.455 120.750 120.400 -0.175 0.000 2.344 301 D HA 0.086 4.725 4.640 -0.001 0.000 0.244 301 D C -0.172 175.841 176.300 -0.479 0.000 1.134 301 D CA 0.512 54.296 54.000 -0.360 0.000 0.930 301 D CB 1.304 41.744 40.800 -0.600 0.000 1.175 301 D HN -0.160 nan 8.370 nan 0.000 0.437 302 T N 1.385 115.665 114.554 -0.456 0.000 2.771 302 T HA 0.425 4.774 4.350 -0.001 0.000 0.281 302 T C -0.367 174.056 174.700 -0.461 0.000 0.982 302 T CA -0.431 61.490 62.100 -0.299 0.000 0.978 302 T CB 0.212 69.036 68.868 -0.074 0.000 0.930 302 T HN 0.059 nan 8.240 nan 0.000 0.447 303 F N 2.088 122.064 119.950 0.043 0.000 2.436 303 F HA 0.639 5.164 4.527 -0.002 0.000 0.340 303 F C -0.014 175.824 175.800 0.063 0.000 1.113 303 F CA -0.981 57.055 58.000 0.060 0.000 1.022 303 F CB 1.446 40.485 39.000 0.064 0.000 1.128 303 F HN 0.160 nan 8.300 nan 0.000 0.466 304 V N 2.191 122.251 119.914 0.243 0.000 2.588 304 V HA 0.948 5.067 4.120 -0.001 0.000 0.304 304 V C -0.007 176.224 176.094 0.228 0.000 1.042 304 V CA -0.513 61.902 62.300 0.192 0.000 0.877 304 V CB 1.213 33.111 31.823 0.124 0.000 0.996 304 V HN 1.004 nan 8.190 nan 0.000 0.425 305 G N 2.292 111.253 108.800 0.269 0.000 2.753 305 G HA2 0.546 4.505 3.960 -0.001 0.000 0.303 305 G HA3 0.546 4.505 3.960 -0.001 0.000 0.303 305 G C -0.408 174.648 174.900 0.259 0.000 1.242 305 G CA -0.788 44.468 45.100 0.259 0.000 0.810 305 G HN 0.385 nan 8.290 nan 0.000 0.515 306 R N -1.031 119.597 120.500 0.214 0.000 3.610 306 R HA -0.166 4.173 4.340 -0.001 0.000 0.274 306 R C 0.183 176.563 176.300 0.133 0.000 1.123 306 R CA 0.504 56.685 56.100 0.135 0.000 0.747 306 R CB -2.289 28.052 30.300 0.068 0.000 1.149 306 R HN 0.523 nan 8.270 nan 0.000 0.471 307 I N 2.118 122.763 120.570 0.126 0.000 2.471 307 I HA 0.114 4.283 4.170 -0.001 0.000 0.286 307 I C 1.186 177.350 176.117 0.078 0.000 1.079 307 I CA 0.376 61.738 61.300 0.104 0.000 1.398 307 I CB 0.463 38.511 38.000 0.080 0.000 1.403 307 I HN 0.130 nan 8.210 nan 0.000 0.530 308 R N 5.529 126.082 120.500 0.089 0.000 2.664 308 R HA 0.359 4.698 4.340 -0.001 0.000 0.260 308 R C -1.619 174.747 176.300 0.110 0.000 1.062 308 R CA -1.194 54.952 56.100 0.076 0.000 0.902 308 R CB 1.226 31.564 30.300 0.064 0.000 1.258 308 R HN 0.530 nan 8.270 nan 0.000 0.465 309 K N 1.389 121.832 120.400 0.073 0.000 2.295 309 K HA 0.104 4.424 4.320 -0.001 0.000 0.270 309 K C -0.584 176.128 176.600 0.187 0.000 1.011 309 K CA -0.353 55.987 56.287 0.089 0.000 0.953 309 K CB 0.751 33.268 32.500 0.029 0.000 0.956 309 K HN 0.592 nan 8.250 nan 0.000 0.477 310 D N 1.709 122.275 120.400 0.276 0.000 2.449 310 D HA -0.079 4.560 4.640 -0.001 0.000 0.236 310 D C 0.864 177.254 176.300 0.149 0.000 1.149 310 D CA 0.042 54.240 54.000 0.330 0.000 0.878 310 D CB 0.584 41.607 40.800 0.371 0.000 1.198 310 D HN 0.565 nan 8.370 nan 0.000 0.446 311 L N 1.844 123.125 121.223 0.097 0.000 2.376 311 L HA -0.002 4.338 4.340 -0.001 0.000 0.219 311 L C 0.967 177.862 176.870 0.042 0.000 1.133 311 L CA 0.857 55.723 54.840 0.043 0.000 0.816 311 L CB -0.190 41.874 42.059 0.008 0.000 0.933 311 L HN 0.544 nan 8.230 nan 0.000 0.449 312 D N -0.917 119.519 120.400 0.060 0.000 2.409 312 D HA 0.131 4.770 4.640 -0.001 0.000 0.301 312 D C 0.750 177.084 176.300 0.057 0.000 1.095 312 D CA 0.178 54.206 54.000 0.046 0.000 0.929 312 D CB 0.576 41.396 40.800 0.034 0.000 1.623 312 D HN 0.090 nan 8.370 nan 0.000 0.506 313 A N 2.204 125.077 122.820 0.088 0.000 2.396 313 A HA 0.086 4.405 4.320 -0.001 0.000 0.279 313 A C 1.245 178.872 177.584 0.072 0.000 1.165 313 A CA 0.012 52.106 52.037 0.096 0.000 0.824 313 A CB 0.685 19.787 19.000 0.170 0.000 1.100 313 A HN 0.162 nan 8.150 nan 0.000 0.516 314 E N 2.589 122.813 120.200 0.041 0.000 2.097 314 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 314 E C 0.931 177.528 176.600 -0.005 0.000 1.000 314 E CA 1.847 58.257 56.400 0.017 0.000 0.804 314 E CB -0.029 29.678 29.700 0.012 0.000 0.740 314 E HN 0.749 nan 8.360 nan 0.000 0.454 315 K N -0.116 120.280 120.400 -0.008 0.000 2.372 315 K HA 0.194 4.513 4.320 -0.001 0.000 0.200 315 K C 0.200 176.742 176.600 -0.096 0.000 1.022 315 K CA 0.075 56.331 56.287 -0.051 0.000 1.125 315 K CB 1.297 33.775 32.500 -0.037 0.000 0.855 315 K HN 0.055 nan 8.250 nan 0.000 0.524 316 G N 1.170 109.947 108.800 -0.038 0.000 2.395 316 G HA2 0.540 4.499 3.960 -0.001 0.000 0.283 316 G HA3 0.540 4.499 3.960 -0.001 0.000 0.283 316 G C -0.526 174.324 174.900 -0.084 0.000 1.178 316 G CA -0.383 44.665 45.100 -0.088 0.000 0.837 316 G HN 0.071 nan 8.290 nan 0.000 0.518 317 I N 1.520 121.921 120.570 -0.281 0.000 2.656 317 I HA 0.285 4.454 4.170 -0.001 0.000 0.292 317 I C -0.777 175.248 176.117 -0.153 0.000 1.144 317 I CA -0.856 60.368 61.300 -0.126 0.000 1.038 317 I CB 2.475 40.381 38.000 -0.156 0.000 1.244 317 I HN 0.444 nan 8.210 nan 0.000 0.420 318 H N 6.896 126.040 119.070 0.122 0.000 2.499 318 H HA 0.773 5.328 4.556 -0.002 0.000 0.340 318 H C -0.591 174.810 175.328 0.121 0.000 1.148 318 H CA -0.609 55.542 56.048 0.171 0.000 1.215 318 H CB 2.448 32.320 29.762 0.184 0.000 1.529 318 H HN 0.572 nan 8.280 nan 0.000 0.510 319 M N 0.680 120.440 119.600 0.266 0.000 2.813 319 M HA 0.364 4.843 4.480 -0.001 0.000 0.270 319 M C -2.047 174.451 176.300 0.329 0.000 1.267 319 M CA -0.970 54.473 55.300 0.239 0.000 0.822 319 M CB 3.590 36.281 32.600 0.153 0.000 1.671 319 M HN 0.589 nan 8.290 nan 0.000 0.468 320 W N 2.384 123.726 121.300 0.069 0.000 2.619 320 W HA 0.707 5.365 4.660 -0.002 0.000 0.327 320 W C -2.629 173.935 176.519 0.075 0.000 1.027 320 W CA -0.699 56.672 57.345 0.045 0.000 1.233 320 W CB 1.876 31.338 29.460 0.002 0.000 1.370 320 W HN 0.577 nan 8.180 nan 0.000 0.453 321 V N 6.711 126.459 119.914 -0.277 0.000 2.487 321 V HA 0.478 4.597 4.120 -0.001 0.000 0.298 321 V C -0.392 175.489 176.094 -0.355 0.000 1.028 321 V CA -0.749 61.438 62.300 -0.189 0.000 0.860 321 V CB 1.560 33.334 31.823 -0.081 0.000 0.991 321 V HN 0.300 nan 8.190 nan 0.000 0.427 322 V N 3.359 123.183 119.914 -0.150 0.000 2.656 322 V HA 0.797 4.917 4.120 -0.001 0.000 0.307 322 V C -0.235 175.927 176.094 0.113 0.000 1.051 322 V CA -0.233 62.021 62.300 -0.075 0.000 0.893 322 V CB 2.067 33.871 31.823 -0.032 0.000 0.999 322 V HN 0.884 nan 8.190 nan 0.000 0.426 323 S N 1.656 117.405 115.700 0.083 0.000 2.579 323 S HA 0.376 4.845 4.470 -0.001 0.000 0.272 323 S C -1.549 173.081 174.600 0.050 0.000 1.141 323 S CA -0.618 57.650 58.200 0.113 0.000 0.843 323 S CB 1.876 65.115 63.200 0.064 0.000 1.122 323 S HN 0.886 nan 8.310 nan 0.000 0.468 324 D N 2.297 122.734 120.400 0.062 0.000 2.363 324 D HA 0.073 4.712 4.640 -0.001 0.000 0.263 324 D C 1.335 177.598 176.300 -0.062 0.000 1.258 324 D CA 0.006 54.006 54.000 0.001 0.000 0.907 324 D CB 0.478 41.299 40.800 0.035 0.000 1.107 324 D HN 0.653 nan 8.370 nan 0.000 0.495 325 N N 4.411 122.986 118.700 -0.209 0.000 2.381 325 N HA -0.151 4.588 4.740 -0.001 0.000 0.182 325 N C 1.615 177.046 175.510 -0.131 0.000 1.025 325 N CA 0.507 53.368 53.050 -0.315 0.000 0.888 325 N CB -0.079 37.879 38.487 -0.881 0.000 0.965 325 N HN 0.482 nan 8.380 nan 0.000 0.438 326 L N -0.204 120.976 121.223 -0.073 0.000 2.446 326 L HA 0.174 4.514 4.340 -0.001 0.000 0.219 326 L C 1.950 178.844 176.870 0.041 0.000 1.116 326 L CA 0.208 55.042 54.840 -0.011 0.000 0.844 326 L CB -0.080 41.974 42.059 -0.008 0.000 0.970 326 L HN 0.064 nan 8.230 nan 0.000 0.457 327 L N -0.705 120.554 121.223 0.060 0.000 2.562 327 L HA 0.071 4.410 4.340 -0.001 0.000 0.188 327 L C 2.275 179.279 176.870 0.223 0.000 1.342 327 L CA 0.089 55.016 54.840 0.145 0.000 1.104 327 L CB -0.568 41.551 42.059 0.101 0.000 1.257 327 L HN -0.096 nan 8.230 nan 0.000 0.632 328 K N 1.119 121.661 120.400 0.236 0.000 2.152 328 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 328 K C 1.693 178.356 176.600 0.105 0.000 1.048 328 K CA 1.548 57.987 56.287 0.254 0.000 0.933 328 K CB -0.852 31.781 32.500 0.221 0.000 0.721 328 K HN 0.421 nan 8.250 nan 0.000 0.447 329 G N -1.590 107.246 108.800 0.060 0.000 2.559 329 G HA2 0.095 4.054 3.960 -0.001 0.000 0.216 329 G HA3 0.095 4.054 3.960 -0.001 0.000 0.216 329 G C 0.912 175.827 174.900 0.025 0.000 1.126 329 G CA 0.938 46.053 45.100 0.025 0.000 0.778 329 G HN 0.501 nan 8.290 nan 0.000 0.543 330 A N -0.663 122.180 122.820 0.038 0.000 1.632 330 A HA 0.689 5.008 4.320 -0.001 0.000 0.140 330 A C 2.125 179.735 177.584 0.044 0.000 1.521 330 A CA 1.192 53.249 52.037 0.034 0.000 1.881 330 A CB -0.995 18.025 19.000 0.034 0.000 1.797 330 A HN 0.684 nan 8.150 nan 0.000 1.234 331 A N -0.923 121.942 122.820 0.076 0.000 1.898 331 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 331 A C 2.093 179.766 177.584 0.147 0.000 1.181 331 A CA 1.671 53.765 52.037 0.096 0.000 0.620 331 A CB -1.029 18.034 19.000 0.104 0.000 0.819 331 A HN 0.951 nan 8.150 nan 0.000 0.442 332 W N 0.937 122.241 121.300 0.006 0.000 2.381 332 W HA -0.215 4.445 4.660 -0.000 0.000 0.301 332 W C 1.803 178.323 176.519 0.002 0.000 1.205 332 W CA 1.709 59.057 57.345 0.005 0.000 1.285 332 W CB -0.294 29.166 29.460 -0.000 0.000 1.133 332 W HN 0.492 nan 8.180 nan 0.000 0.521 333 N N 0.391 118.938 118.700 -0.254 0.000 2.104 333 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 333 N C 1.903 177.219 175.510 -0.323 0.000 1.024 333 N CA 2.659 55.485 53.050 -0.373 0.000 0.853 333 N CB -0.520 37.873 38.487 -0.157 0.000 1.008 333 N HN -0.075 nan 8.380 nan 0.000 0.424 334 S N -0.896 114.699 115.700 -0.175 0.000 2.356 334 S HA -0.069 4.400 4.470 -0.001 0.000 0.223 334 S C 2.011 176.519 174.600 -0.153 0.000 1.032 334 S CA 1.047 59.174 58.200 -0.122 0.000 1.005 334 S CB -0.345 62.834 63.200 -0.035 0.000 0.867 334 S HN 0.174 nan 8.310 nan 0.000 0.449 335 V N 1.736 121.567 119.914 -0.138 0.000 2.427 335 V HA -0.183 3.936 4.120 -0.001 0.000 0.248 335 V C 2.530 178.457 176.094 -0.279 0.000 1.051 335 V CA 1.641 63.880 62.300 -0.101 0.000 1.048 335 V CB -0.642 31.234 31.823 0.088 0.000 0.666 335 V HN 0.474 nan 8.190 nan 0.000 0.456 336 Q N -0.401 118.992 119.800 -0.678 0.000 2.084 336 Q HA -0.209 4.130 4.340 -0.001 0.000 0.202 336 Q C 2.239 178.016 176.000 -0.372 0.000 0.978 336 Q CA 1.928 57.263 55.803 -0.780 0.000 0.844 336 Q CB -0.158 27.814 28.738 -1.276 0.000 0.898 336 Q HN 0.627 nan 8.270 nan 0.000 0.426 337 I N 0.260 120.646 120.570 -0.307 0.000 2.179 337 I HA -0.297 3.872 4.170 -0.001 0.000 0.242 337 I C 2.387 178.414 176.117 -0.150 0.000 1.088 337 I CA 1.105 62.286 61.300 -0.199 0.000 1.357 337 I CB -0.372 37.523 38.000 -0.175 0.000 1.051 337 I HN 0.241 nan 8.210 nan 0.000 0.409 338 A N 0.243 122.979 122.820 -0.140 0.000 1.902 338 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 338 A C 2.201 179.756 177.584 -0.049 0.000 1.181 338 A CA 1.797 53.769 52.037 -0.108 0.000 0.623 338 A CB -0.632 18.312 19.000 -0.093 0.000 0.818 338 A HN 0.462 nan 8.150 nan 0.000 0.443 339 E N -0.870 119.310 120.200 -0.033 0.000 2.110 339 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 339 E C 2.045 178.685 176.600 0.066 0.000 0.988 339 E CA 1.645 58.075 56.400 0.049 0.000 0.804 339 E CB -0.289 29.438 29.700 0.045 0.000 0.745 339 E HN 0.637 nan 8.360 nan 0.000 0.458 340 T N 1.443 115.989 114.554 -0.014 0.000 2.857 340 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 340 T C 1.986 176.686 174.700 -0.001 0.000 1.048 340 T CA 0.628 62.719 62.100 -0.015 0.000 1.139 340 T CB -0.150 68.682 68.868 -0.060 0.000 0.874 340 T HN 0.067 nan 8.240 nan 0.000 0.455 341 L N 0.359 121.572 121.223 -0.017 0.000 2.042 341 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 341 L C 2.602 179.496 176.870 0.040 0.000 1.076 341 L CA 1.756 56.590 54.840 -0.010 0.000 0.749 341 L CB -0.597 41.415 42.059 -0.078 0.000 0.893 341 L HN 0.360 nan 8.230 nan 0.000 0.432 342 H N 0.285 119.351 119.070 -0.005 0.000 2.321 342 H HA -0.173 4.382 4.556 -0.002 0.000 0.300 342 H C 2.110 177.493 175.328 0.092 0.000 1.087 342 H CA 1.932 58.034 56.048 0.090 0.000 1.319 342 H CB 0.038 29.901 29.762 0.168 0.000 1.379 342 H HN 0.288 nan 8.280 nan 0.000 0.501 343 E N 0.042 120.202 120.200 -0.067 0.000 2.130 343 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 343 E C 1.802 178.341 176.600 -0.102 0.000 0.998 343 E CA 1.172 57.510 56.400 -0.103 0.000 0.806 343 E CB 0.023 29.727 29.700 0.006 0.000 0.738 343 E HN 0.512 nan 8.360 nan 0.000 0.459 344 R N -0.637 119.830 120.500 -0.055 0.000 2.359 344 R HA 0.118 4.457 4.340 -0.001 0.000 0.231 344 R C 0.786 177.072 176.300 -0.023 0.000 0.913 344 R CA 0.444 56.527 56.100 -0.028 0.000 1.075 344 R CB 0.747 31.047 30.300 -0.000 0.000 1.087 344 R HN 0.188 nan 8.270 nan 0.000 0.515 345 G N 1.567 110.339 108.800 -0.046 0.000 2.221 345 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.265 345 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.265 345 G C 0.434 175.358 174.900 0.040 0.000 1.041 345 G CA 0.050 45.144 45.100 -0.009 0.000 0.807 345 G HN 0.335 nan 8.290 nan 0.000 0.502 346 L N -0.495 120.766 121.223 0.062 0.000 2.640 346 L HA 0.218 4.557 4.340 -0.001 0.000 0.230 346 L C 0.979 177.949 176.870 0.167 0.000 1.123 346 L CA -0.131 54.788 54.840 0.132 0.000 0.900 346 L CB 0.710 42.875 42.059 0.177 0.000 1.146 346 L HN 0.126 nan 8.230 nan 0.000 0.484 347 V N 3.436 123.402 119.914 0.086 0.000 2.313 347 V HA 0.289 4.408 4.120 -0.001 0.000 0.252 347 V C 0.148 176.302 176.094 0.100 0.000 1.112 347 V CA -0.224 62.088 62.300 0.021 0.000 0.984 347 V CB -0.409 31.305 31.823 -0.182 0.000 1.157 347 V HN 0.401 nan 8.190 nan 0.000 0.493 348 R N 4.322 124.887 120.500 0.108 0.000 2.690 348 R HA 0.524 4.863 4.340 -0.001 0.000 0.269 348 R C -3.589 172.767 176.300 0.092 0.000 1.037 348 R CA -1.841 54.318 56.100 0.098 0.000 0.877 348 R CB 0.652 31.000 30.300 0.081 0.000 1.255 348 R HN 0.236 nan 8.270 nan 0.000 0.467 349 P HA 0.170 nan 4.420 nan 0.000 0.267 349 P C -0.596 176.731 177.300 0.045 0.000 1.200 349 P CA 0.082 63.218 63.100 0.061 0.000 0.772 349 P CB 0.395 32.125 31.700 0.050 0.000 0.855 350 T N 1.737 116.318 114.554 0.044 0.000 2.749 350 T HA 0.361 4.710 4.350 -0.001 0.000 0.287 350 T C 1.389 176.090 174.700 0.002 0.000 0.970 350 T CA -0.115 61.992 62.100 0.013 0.000 0.980 350 T CB 1.293 70.182 68.868 0.034 0.000 0.924 350 T HN 0.366 nan 8.240 nan 0.000 0.456 351 A N 3.142 125.954 122.820 -0.014 0.000 1.877 351 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 351 A C 1.038 178.609 177.584 -0.022 0.000 1.186 351 A CA 1.047 53.076 52.037 -0.014 0.000 0.620 351 A CB -0.135 18.854 19.000 -0.019 0.000 0.822 351 A HN 0.756 nan 8.150 nan 0.000 0.443 352 E N -0.004 120.171 120.200 -0.041 0.000 2.134 352 E HA 0.416 4.765 4.350 -0.001 0.000 0.278 352 E C -1.368 175.183 176.600 -0.082 0.000 0.959 352 E CA -0.743 55.621 56.400 -0.060 0.000 0.783 352 E CB 0.763 30.418 29.700 -0.076 0.000 1.095 352 E HN 0.256 nan 8.360 nan 0.000 0.399 353 L N 5.330 126.506 121.223 -0.079 0.000 2.361 353 L HA 0.156 4.495 4.340 -0.001 0.000 0.278 353 L C 0.298 177.042 176.870 -0.211 0.000 1.113 353 L CA 0.591 55.372 54.840 -0.098 0.000 0.849 353 L CB 0.518 42.543 42.059 -0.056 0.000 1.155 353 L HN 0.535 nan 8.230 nan 0.000 0.452 354 K N 5.055 125.187 120.400 -0.446 0.000 2.387 354 K HA 0.225 4.544 4.320 -0.001 0.000 0.203 354 K C -1.008 175.073 176.600 -0.866 0.000 1.030 354 K CA 0.064 55.932 56.287 -0.697 0.000 1.099 354 K CB 0.388 32.358 32.500 -0.885 0.000 0.863 354 K HN 0.352 nan 8.250 nan 0.000 0.529 355 F N 1.555 121.472 119.950 -0.054 0.000 2.507 355 F HA 0.292 4.818 4.527 -0.001 0.000 0.325 355 F C 0.277 176.056 175.800 -0.034 0.000 1.116 355 F CA -1.282 56.708 58.000 -0.016 0.000 0.930 355 F CB 1.184 40.147 39.000 -0.061 0.000 1.146 355 F HN -0.195 nan 8.300 nan 0.000 0.447 356 E N 3.149 123.454 120.200 0.176 0.000 2.414 356 E HA 0.197 4.547 4.350 -0.001 0.000 0.263 356 E C -0.759 175.844 176.600 0.005 0.000 1.000 356 E CA -0.126 56.315 56.400 0.068 0.000 0.914 356 E CB 0.694 30.444 29.700 0.084 0.000 0.948 356 E HN 0.455 nan 8.360 nan 0.000 0.444 357 L N 4.168 125.334 121.223 -0.094 0.000 2.290 357 L HA 0.232 4.571 4.340 -0.001 0.000 0.284 357 L C 0.637 177.486 176.870 -0.034 0.000 1.078 357 L CA -0.427 54.269 54.840 -0.240 0.000 0.815 357 L CB 0.256 42.115 42.059 -0.333 0.000 1.162 357 L HN 0.322 nan 8.230 nan 0.000 0.435 358 K N 0.000 120.424 120.400 0.041 0.000 2.780 358 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 358 K CA 0.000 56.333 56.287 0.076 0.000 0.838 358 K CB 0.000 32.508 32.500 0.013 0.000 1.064 358 K HN 0.000 nan 8.250 nan 0.000 0.543