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 1obl_1_B DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSAGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 I N 1.400 121.962 120.570 -0.014 0.000 2.416 2 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 2 I C 0.469 176.572 176.117 -0.024 0.000 1.051 2 I CA -0.110 61.179 61.300 -0.018 0.000 1.375 2 I CB 1.431 39.420 38.000 -0.018 0.000 1.407 2 I HN 0.588 nan 8.210 nan 0.000 0.516 3 S N 5.991 121.673 115.700 -0.030 0.000 2.452 3 S HA 0.161 4.631 4.470 -0.000 0.000 0.284 3 S C 0.711 175.286 174.600 -0.042 0.000 1.171 3 S CA -0.780 57.393 58.200 -0.045 0.000 1.064 3 S CB 0.828 63.998 63.200 -0.050 0.000 0.967 3 S HN 0.565 nan 8.310 nan 0.000 0.484 4 L N 6.895 128.088 121.223 -0.050 0.000 2.017 4 L HA 0.141 4.480 4.340 -0.000 0.000 0.208 4 L C 2.411 179.257 176.870 -0.041 0.000 1.073 4 L CA 2.598 57.412 54.840 -0.042 0.000 0.745 4 L CB -1.427 40.604 42.059 -0.048 0.000 0.894 4 L HN 0.813 nan 8.230 nan 0.000 0.432 5 A N -0.651 122.134 122.820 -0.059 0.000 1.940 5 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 5 A C 2.072 179.643 177.584 -0.022 0.000 1.176 5 A CA 1.969 53.978 52.037 -0.046 0.000 0.631 5 A CB -1.099 17.852 19.000 -0.081 0.000 0.814 5 A HN 0.644 nan 8.150 nan 0.000 0.446 6 D N -0.260 120.124 120.400 -0.026 0.000 2.097 6 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 6 D C 1.841 178.137 176.300 -0.005 0.000 0.984 6 D CA 1.313 55.306 54.000 -0.011 0.000 0.826 6 D CB -0.229 40.563 40.800 -0.014 0.000 0.973 6 D HN 0.405 nan 8.370 nan 0.000 0.460 7 L N 0.015 121.231 121.223 -0.010 0.000 2.042 7 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 7 L C 2.754 179.623 176.870 -0.002 0.000 1.076 7 L CA 1.182 56.018 54.840 -0.006 0.000 0.749 7 L CB -0.538 41.515 42.059 -0.010 0.000 0.893 7 L HN 0.213 nan 8.230 nan 0.000 0.432 8 Q N -0.257 119.541 119.800 -0.003 0.000 2.030 8 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 8 Q C 2.421 178.427 176.000 0.009 0.000 0.986 8 Q CA 1.678 57.482 55.803 0.002 0.000 0.843 8 Q CB -0.135 28.604 28.738 0.002 0.000 0.904 8 Q HN 0.460 nan 8.270 nan 0.000 0.420 9 R N 0.176 120.682 120.500 0.011 0.000 2.091 9 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 9 R C 2.323 178.631 176.300 0.014 0.000 1.136 9 R CA 1.271 57.381 56.100 0.017 0.000 0.959 9 R CB -0.186 30.127 30.300 0.022 0.000 0.856 9 R HN 0.201 nan 8.270 nan 0.000 0.437 10 R N 0.194 120.700 120.500 0.011 0.000 2.115 10 R HA -0.010 4.330 4.340 -0.000 0.000 0.226 10 R C 2.290 178.595 176.300 0.009 0.000 1.100 10 R CA 1.021 57.127 56.100 0.010 0.000 0.980 10 R CB -0.165 30.140 30.300 0.008 0.000 0.875 10 R HN 0.257 nan 8.270 nan 0.000 0.445 11 I N 0.413 120.988 120.570 0.008 0.000 2.286 11 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 11 I C 2.410 178.533 176.117 0.010 0.000 1.104 11 I CA 0.996 62.301 61.300 0.008 0.000 1.397 11 I CB -0.169 37.836 38.000 0.007 0.000 1.072 11 I HN 0.094 nan 8.210 nan 0.000 0.417 12 E N 1.294 121.501 120.200 0.011 0.000 2.058 12 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 12 E C 2.062 178.669 176.600 0.012 0.000 0.997 12 E CA 2.287 58.694 56.400 0.012 0.000 0.801 12 E CB -0.326 29.383 29.700 0.015 0.000 0.746 12 E HN 0.487 nan 8.360 nan 0.000 0.450 13 T N -3.352 111.209 114.554 0.013 0.000 3.163 13 T HA 0.174 4.524 4.350 -0.000 0.000 0.260 13 T C 1.535 176.241 174.700 0.010 0.000 1.156 13 T CA 0.868 62.975 62.100 0.012 0.000 1.072 13 T CB -0.183 68.692 68.868 0.013 0.000 0.937 13 T HN 0.392 nan 8.240 nan 0.000 0.528 14 G N 1.389 110.194 108.800 0.010 0.000 2.199 14 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 14 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 14 G C 0.638 175.543 174.900 0.008 0.000 0.982 14 G CA 0.634 45.740 45.100 0.009 0.000 0.632 14 G HN 0.630 nan 8.290 nan 0.000 0.529 15 E N -0.684 119.521 120.200 0.009 0.000 2.160 15 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 15 E C 0.840 177.445 176.600 0.008 0.000 0.991 15 E CA 1.129 57.534 56.400 0.008 0.000 0.810 15 E CB -0.040 29.665 29.700 0.009 0.000 0.742 15 E HN 0.658 nan 8.360 nan 0.000 0.466 16 L N 0.770 121.997 121.223 0.008 0.000 2.409 16 L HA 0.288 4.628 4.340 -0.000 0.000 0.272 16 L C -0.732 176.143 176.870 0.009 0.000 0.980 16 L CA -0.646 54.198 54.840 0.008 0.000 0.826 16 L CB 1.931 43.995 42.059 0.007 0.000 1.268 16 L HN 0.060 nan 8.230 nan 0.000 0.407 17 S N 3.955 119.660 115.700 0.009 0.000 2.601 17 S HA 0.556 5.026 4.470 -0.000 0.000 0.271 17 S C -2.078 172.529 174.600 0.012 0.000 1.305 17 S CA -0.879 57.327 58.200 0.010 0.000 1.022 17 S CB 1.081 64.287 63.200 0.011 0.000 0.940 17 S HN 0.623 nan 8.310 nan 0.000 0.525 18 P HA -0.071 nan 4.420 nan 0.000 0.215 18 P C 1.167 178.480 177.300 0.021 0.000 1.153 18 P CA 1.024 64.133 63.100 0.015 0.000 0.853 18 P CB -0.019 31.689 31.700 0.014 0.000 0.788 19 N N -0.363 118.350 118.700 0.023 0.000 2.069 19 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 19 N C 1.731 177.264 175.510 0.037 0.000 1.031 19 N CA 1.722 54.791 53.050 0.032 0.000 0.852 19 N CB -0.937 37.564 38.487 0.023 0.000 1.018 19 N HN 0.062 nan 8.380 nan 0.000 0.423 20 A N 1.183 124.019 122.820 0.026 0.000 1.902 20 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 20 A C 2.427 180.027 177.584 0.027 0.000 1.181 20 A CA 1.916 53.968 52.037 0.025 0.000 0.623 20 A CB -0.817 18.193 19.000 0.017 0.000 0.818 20 A HN 0.328 nan 8.150 nan 0.000 0.443 21 A N 0.082 122.913 122.820 0.019 0.000 1.883 21 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 21 A C 2.002 179.592 177.584 0.009 0.000 1.186 21 A CA 1.769 53.813 52.037 0.010 0.000 0.624 21 A CB -0.526 18.477 19.000 0.005 0.000 0.822 21 A HN 0.406 nan 8.150 nan 0.000 0.444 22 I N -0.080 120.504 120.570 0.023 0.000 2.315 22 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 22 I C 2.896 179.073 176.117 0.100 0.000 1.117 22 I CA 1.317 62.630 61.300 0.023 0.000 1.404 22 I CB -1.603 36.437 38.000 0.067 0.000 1.071 22 I HN 0.371 nan 8.210 nan 0.000 0.419 23 A N 0.000 122.899 122.820 0.130 0.000 1.933 23 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 23 A C 2.257 179.904 177.584 0.105 0.000 1.175 23 A CA 1.482 53.612 52.037 0.156 0.000 0.628 23 A CB -0.544 18.505 19.000 0.081 0.000 0.814 23 A HN 0.361 nan 8.150 nan 0.000 0.444 24 Q N -0.064 119.766 119.800 0.049 0.000 2.096 24 Q HA -0.109 4.230 4.340 -0.000 0.000 0.204 24 Q C 2.451 178.452 176.000 0.002 0.000 0.982 24 Q CA 2.098 57.914 55.803 0.021 0.000 0.850 24 Q CB -0.243 28.498 28.738 0.005 0.000 0.901 24 Q HN 0.659 nan 8.270 nan 0.000 0.422 25 S N -0.655 115.023 115.700 -0.036 0.000 2.355 25 S HA -0.130 4.340 4.470 -0.000 0.000 0.222 25 S C 1.631 176.157 174.600 -0.124 0.000 1.031 25 S CA 0.885 59.022 58.200 -0.105 0.000 0.993 25 S CB -0.386 62.708 63.200 -0.176 0.000 0.859 25 S HN 0.466 nan 8.310 nan 0.000 0.453 26 H N 1.502 120.569 119.070 -0.004 0.000 2.353 26 H HA -0.054 4.502 4.556 -0.000 0.000 0.298 26 H C 2.452 177.792 175.328 0.021 0.000 1.103 26 H CA 1.519 57.600 56.048 0.055 0.000 1.293 26 H CB -0.585 29.238 29.762 0.102 0.000 1.372 26 H HN 0.439 nan 8.280 nan 0.000 0.501 27 A N 0.940 123.835 122.820 0.126 0.000 1.898 27 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 27 A C 2.696 180.288 177.584 0.015 0.000 1.181 27 A CA 1.475 53.550 52.037 0.063 0.000 0.620 27 A CB -0.667 18.360 19.000 0.047 0.000 0.819 27 A HN 0.427 nan 8.150 nan 0.000 0.442 28 A N -0.145 122.667 122.820 -0.012 0.000 1.969 28 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 28 A C 2.083 179.636 177.584 -0.052 0.000 1.169 28 A CA 1.404 53.423 52.037 -0.030 0.000 0.635 28 A CB -0.530 18.449 19.000 -0.035 0.000 0.810 28 A HN 0.498 nan 8.150 nan 0.000 0.445 29 I N -1.036 119.468 120.570 -0.111 0.000 2.233 29 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 29 I C 2.503 178.556 176.117 -0.106 0.000 1.093 29 I CA 1.407 62.587 61.300 -0.199 0.000 1.380 29 I CB -0.292 37.333 38.000 -0.625 0.000 1.067 29 I HN 0.229 nan 8.210 nan 0.000 0.413 30 E N 1.175 121.356 120.200 -0.032 0.000 2.118 30 E HA -0.204 4.145 4.350 -0.000 0.000 0.195 30 E C 2.169 178.775 176.600 0.010 0.000 0.992 30 E CA 1.560 57.978 56.400 0.030 0.000 0.804 30 E CB -0.253 29.485 29.700 0.063 0.000 0.741 30 E HN 0.453 nan 8.360 nan 0.000 0.458 31 A N 0.288 123.106 122.820 -0.003 0.000 1.933 31 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 31 A C 1.841 179.415 177.584 -0.017 0.000 1.175 31 A CA 1.557 53.589 52.037 -0.008 0.000 0.628 31 A CB -0.106 18.887 19.000 -0.011 0.000 0.814 31 A HN 0.091 nan 8.150 nan 0.000 0.444 32 R N -1.672 118.813 120.500 -0.025 0.000 2.453 32 R HA 0.106 4.445 4.340 -0.000 0.000 0.233 32 R C 1.551 177.825 176.300 -0.043 0.000 0.895 32 R CA 0.633 56.709 56.100 -0.041 0.000 1.028 32 R CB -0.302 29.966 30.300 -0.052 0.000 1.255 32 R HN 0.491 nan 8.270 nan 0.000 0.571 33 E N 2.611 122.807 120.200 -0.007 0.000 2.171 33 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 33 E C 1.321 177.940 176.600 0.031 0.000 0.997 33 E CA 1.631 58.053 56.400 0.037 0.000 0.810 33 E CB 0.027 29.766 29.700 0.065 0.000 0.738 33 E HN 0.208 nan 8.360 nan 0.000 0.467 34 K N -0.320 120.097 120.400 0.027 0.000 2.283 34 K HA -0.133 4.187 4.320 -0.000 0.000 0.202 34 K C 1.886 178.431 176.600 -0.093 0.000 1.048 34 K CA 1.432 57.763 56.287 0.073 0.000 0.948 34 K CB -0.033 32.508 32.500 0.069 0.000 0.742 34 K HN 0.434 nan 8.250 nan 0.000 0.458 35 E N -0.380 119.691 120.200 -0.215 0.000 2.364 35 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 35 E C 1.536 177.802 176.600 -0.557 0.000 0.990 35 E CA 0.298 56.504 56.400 -0.323 0.000 0.886 35 E CB 0.277 29.889 29.700 -0.146 0.000 0.866 35 E HN -0.061 nan 8.360 nan 0.000 0.493 36 V N 0.532 120.171 119.914 -0.459 0.000 2.795 36 V HA -0.024 4.096 4.120 -0.000 0.000 0.243 36 V C 0.060 175.993 176.094 -0.269 0.000 1.069 36 V CA 1.002 63.110 62.300 -0.320 0.000 1.089 36 V CB -1.005 30.732 31.823 -0.143 0.000 0.756 36 V HN 0.410 nan 8.190 nan 0.000 0.471 37 H N -0.691 118.399 119.070 0.034 0.000 2.748 37 H HA -0.178 4.378 4.556 -0.000 0.000 0.322 37 H C 1.217 176.560 175.328 0.024 0.000 1.208 37 H CA 0.183 56.258 56.048 0.045 0.000 1.151 37 H CB -1.427 28.351 29.762 0.026 0.000 1.505 37 H HN 0.484 nan 8.280 nan 0.000 0.429 38 A N -0.241 122.638 122.820 0.099 0.000 2.178 38 A HA 0.264 4.584 4.320 -0.000 0.000 0.211 38 A C 0.348 177.810 177.584 -0.203 0.000 1.157 38 A CA 0.329 52.317 52.037 -0.081 0.000 0.780 38 A CB 0.382 19.270 19.000 -0.187 0.000 0.828 38 A HN 0.256 nan 8.150 nan 0.000 0.476 39 F N -1.497 118.456 119.950 0.006 0.000 2.458 39 F HA 0.389 4.916 4.527 -0.000 0.000 0.336 39 F C 1.191 177.009 175.800 0.031 0.000 1.114 39 F CA -0.438 57.568 58.000 0.010 0.000 0.987 39 F CB 1.986 40.997 39.000 0.018 0.000 1.130 39 F HN -0.155 nan 8.300 nan 0.000 0.458 40 V N 2.511 122.539 119.914 0.189 0.000 2.488 40 V HA 0.019 4.139 4.120 -0.000 0.000 0.246 40 V C 0.583 176.776 176.094 0.165 0.000 1.046 40 V CA 1.258 63.635 62.300 0.128 0.000 1.053 40 V CB -0.441 31.428 31.823 0.078 0.000 0.679 40 V HN 0.611 nan 8.190 nan 0.000 0.458 41 R N -1.034 119.608 120.500 0.238 0.000 2.535 41 R HA 0.403 4.743 4.340 -0.000 0.000 0.274 41 R C -0.977 175.462 176.300 0.231 0.000 1.090 41 R CA -0.497 55.717 56.100 0.191 0.000 0.930 41 R CB 1.750 32.124 30.300 0.124 0.000 1.223 41 R HN 0.430 nan 8.270 nan 0.000 0.441 42 H N 2.077 121.122 119.070 -0.040 0.000 2.595 42 H HA 0.145 4.701 4.556 -0.000 0.000 0.313 42 H C -1.033 174.242 175.328 -0.089 0.000 1.023 42 H CA -0.714 55.194 56.048 -0.233 0.000 1.218 42 H CB 1.340 30.874 29.762 -0.381 0.000 1.403 42 H HN 0.476 nan 8.280 nan 0.000 0.477 43 D N 4.968 125.414 120.400 0.077 0.000 2.402 43 D HA 0.022 4.662 4.640 -0.000 0.000 0.235 43 D C 0.638 176.879 176.300 -0.099 0.000 1.226 43 D CA -0.096 53.890 54.000 -0.023 0.000 0.918 43 D CB 0.728 41.565 40.800 0.061 0.000 1.043 43 D HN 0.627 nan 8.370 nan 0.000 0.506 44 K N 0.816 120.974 120.400 -0.403 0.000 2.362 44 K HA -0.090 4.229 4.320 -0.000 0.000 0.200 44 K C 1.649 178.004 176.600 -0.409 0.000 1.046 44 K CA 0.962 56.947 56.287 -0.504 0.000 0.952 44 K CB 0.181 32.390 32.500 -0.485 0.000 0.753 44 K HN 0.344 nan 8.250 nan 0.000 0.466 45 S N -0.082 115.501 115.700 -0.195 0.000 2.535 45 S HA 0.215 4.685 4.470 -0.000 0.000 0.214 45 S C 0.766 175.345 174.600 -0.035 0.000 0.980 45 S CA -0.409 57.707 58.200 -0.141 0.000 0.907 45 S CB 0.220 63.365 63.200 -0.091 0.000 0.790 45 S HN 0.164 nan 8.310 nan 0.000 0.510 46 A N 2.303 125.174 122.820 0.084 0.000 2.561 46 A HA 0.382 4.701 4.320 -0.000 0.000 0.251 46 A C 0.496 178.205 177.584 0.209 0.000 1.062 46 A CA -0.050 52.082 52.037 0.158 0.000 0.761 46 A CB -0.022 19.100 19.000 0.202 0.000 0.986 46 A HN 0.649 nan 8.150 nan 0.000 0.510 47 R N 1.489 122.054 120.500 0.108 0.000 2.856 47 R HA 0.681 5.021 4.340 -0.000 0.000 0.258 47 R C 0.138 176.479 176.300 0.069 0.000 1.066 47 R CA -0.424 55.732 56.100 0.092 0.000 1.045 47 R CB 1.729 32.054 30.300 0.042 0.000 1.178 47 R HN 0.807 nan 8.270 nan 0.000 0.499 48 A N 1.133 123.987 122.820 0.057 0.000 2.332 48 A HA 0.215 4.535 4.320 -0.000 0.000 0.258 48 A C -0.341 177.258 177.584 0.025 0.000 1.087 48 A CA -0.293 51.766 52.037 0.036 0.000 0.802 48 A CB 0.493 19.512 19.000 0.032 0.000 1.042 48 A HN 0.604 nan 8.150 nan 0.000 0.489 49 Q N -0.288 119.524 119.800 0.019 0.000 2.205 49 Q HA 0.510 4.850 4.340 -0.000 0.000 0.249 49 Q C 0.932 176.939 176.000 0.013 0.000 0.948 49 Q CA -0.140 55.672 55.803 0.015 0.000 0.895 49 Q CB 1.706 30.451 28.738 0.013 0.000 1.249 49 Q HN 0.823 nan 8.270 nan 0.000 0.458 50 A N 0.937 123.764 122.820 0.011 0.000 2.016 50 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 50 A C 0.747 178.336 177.584 0.009 0.000 1.162 50 A CA 1.195 53.238 52.037 0.009 0.000 0.662 50 A CB 0.094 19.099 19.000 0.008 0.000 0.812 50 A HN 0.655 nan 8.150 nan 0.000 0.450 51 S N -3.141 112.564 115.700 0.009 0.000 2.697 51 S HA 0.730 5.199 4.470 -0.000 0.000 0.289 51 S C -0.075 174.531 174.600 0.009 0.000 1.149 51 S CA -0.129 58.077 58.200 0.009 0.000 0.850 51 S CB 1.201 64.406 63.200 0.008 0.000 1.151 51 S HN 2.051 nan 8.310 nan 0.000 0.491 52 G N 0.943 109.749 108.800 0.009 0.000 2.650 52 G HA2 0.061 4.021 3.960 -0.000 0.000 0.686 52 G HA3 0.061 4.021 3.960 -0.000 0.000 0.686 52 G C -2.223 172.682 174.900 0.008 0.000 1.205 52 G CA -0.292 44.813 45.100 0.009 0.000 0.781 52 G HN 0.625 nan 8.290 nan 0.000 0.648 53 P HA -0.022 nan 4.420 nan 0.000 0.222 53 P C 1.397 178.699 177.300 0.004 0.000 1.147 53 P CA 1.015 64.120 63.100 0.008 0.000 0.790 53 P CB 0.165 31.872 31.700 0.010 0.000 0.780 54 L N -0.282 120.942 121.223 0.002 0.000 2.818 54 L HA 0.216 4.556 4.340 -0.000 0.000 0.243 54 L C 1.179 178.050 176.870 0.001 0.000 1.185 54 L CA -0.649 54.190 54.840 -0.002 0.000 0.988 54 L CB -0.299 41.757 42.059 -0.005 0.000 1.292 54 L HN -0.037 nan 8.230 nan 0.000 0.519 55 R N 0.147 120.649 120.500 0.004 0.000 2.570 55 R HA 0.315 4.655 4.340 -0.000 0.000 0.277 55 R C 0.901 177.204 176.300 0.005 0.000 1.039 55 R CA 0.606 56.710 56.100 0.007 0.000 1.065 55 R CB 0.111 30.416 30.300 0.008 0.000 0.964 55 R HN 0.178 nan 8.270 nan 0.000 0.428 56 G N 2.349 111.154 108.800 0.007 0.000 2.179 56 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 56 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 56 G C -0.011 174.887 174.900 -0.004 0.000 0.977 56 G CA 0.087 45.191 45.100 0.005 0.000 0.641 56 G HN 0.557 nan 8.290 nan 0.000 0.533 57 I N 1.577 122.143 120.570 -0.006 0.000 2.312 57 I HA 0.635 4.805 4.170 -0.000 0.000 0.290 57 I C 0.800 176.908 176.117 -0.015 0.000 1.008 57 I CA -0.958 60.335 61.300 -0.012 0.000 1.226 57 I CB 0.769 38.762 38.000 -0.011 0.000 1.371 57 I HN 0.315 nan 8.210 nan 0.000 0.468 58 A N 7.169 129.972 122.820 -0.029 0.000 2.331 58 A HA 0.691 5.011 4.320 -0.000 0.000 0.283 58 A C -0.280 177.300 177.584 -0.005 0.000 1.142 58 A CA -0.346 51.669 52.037 -0.036 0.000 0.812 58 A CB 0.759 19.702 19.000 -0.095 0.000 1.074 58 A HN 0.471 nan 8.150 nan 0.000 0.497 59 V N 1.787 121.712 119.914 0.017 0.000 2.588 59 V HA 0.656 4.776 4.120 -0.000 0.000 0.304 59 V C 0.728 176.865 176.094 0.071 0.000 1.042 59 V CA -0.310 62.011 62.300 0.035 0.000 0.877 59 V CB 1.852 33.691 31.823 0.025 0.000 0.996 59 V HN 1.173 nan 8.190 nan 0.000 0.425 60 G N 4.288 113.124 108.800 0.060 0.000 2.377 60 G HA2 0.651 4.611 3.960 -0.000 0.000 0.299 60 G HA3 0.651 4.611 3.960 -0.000 0.000 0.299 60 G C -0.753 174.142 174.900 -0.008 0.000 1.150 60 G CA -0.389 44.737 45.100 0.043 0.000 0.847 60 G HN 0.448 nan 8.290 nan 0.000 0.501 61 I N 1.692 122.266 120.570 0.005 0.000 2.382 61 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 61 I C 0.443 176.546 176.117 -0.024 0.000 1.002 61 I CA -1.133 60.171 61.300 0.006 0.000 1.135 61 I CB 1.480 39.503 38.000 0.037 0.000 1.288 61 I HN 0.536 nan 8.210 nan 0.000 0.448 62 K N 4.081 124.463 120.400 -0.031 0.000 2.511 62 K HA -0.119 4.200 4.320 -0.000 0.000 0.280 62 K C 0.420 177.013 176.600 -0.012 0.000 1.008 62 K CA 0.244 56.506 56.287 -0.041 0.000 1.050 62 K CB 0.519 33.015 32.500 -0.008 0.000 0.889 62 K HN 0.424 nan 8.250 nan 0.000 0.484 63 D N 4.311 124.698 120.400 -0.022 0.000 2.490 63 D HA -0.018 4.622 4.640 -0.000 0.000 0.255 63 D C 0.703 177.000 176.300 -0.004 0.000 1.248 63 D CA 0.366 54.365 54.000 -0.002 0.000 0.887 63 D CB -0.286 40.513 40.800 -0.001 0.000 0.978 63 D HN 0.584 nan 8.370 nan 0.000 0.491 64 I N -3.566 117.007 120.570 0.005 0.000 4.147 64 I HA 0.324 4.494 4.170 -0.000 0.000 0.329 64 I C -0.059 176.082 176.117 0.040 0.000 1.424 64 I CA -0.298 61.007 61.300 0.008 0.000 1.127 64 I CB 0.391 38.406 38.000 0.025 0.000 1.128 64 I HN -0.233 nan 8.210 nan 0.000 0.417 65 I N 2.784 123.380 120.570 0.043 0.000 2.330 65 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 65 I C -0.548 175.601 176.117 0.054 0.000 1.001 65 I CA -0.587 60.744 61.300 0.051 0.000 1.193 65 I CB 0.978 39.005 38.000 0.046 0.000 1.345 65 I HN 0.002 nan 8.210 nan 0.000 0.461 66 D N 4.965 125.403 120.400 0.063 0.000 2.493 66 D HA 0.118 4.757 4.640 -0.000 0.000 0.240 66 D C 0.164 176.484 176.300 0.033 0.000 1.142 66 D CA 0.683 54.719 54.000 0.060 0.000 0.872 66 D CB 0.790 41.632 40.800 0.070 0.000 1.173 66 D HN 0.555 nan 8.370 nan 0.000 0.467 67 T N -1.777 112.785 114.554 0.014 0.000 2.893 67 T HA 0.640 4.989 4.350 -0.000 0.000 0.293 67 T C 0.753 175.436 174.700 -0.029 0.000 1.027 67 T CA -0.863 61.238 62.100 0.002 0.000 0.988 67 T CB 2.002 70.878 68.868 0.014 0.000 1.043 67 T HN 0.164 nan 8.240 nan 0.000 0.461 68 A N 2.312 125.116 122.820 -0.026 0.000 1.970 68 A HA 0.037 4.356 4.320 -0.000 0.000 0.216 68 A C 1.976 179.528 177.584 -0.053 0.000 1.170 68 A CA 0.949 52.958 52.037 -0.046 0.000 0.645 68 A CB -0.491 18.491 19.000 -0.030 0.000 0.816 68 A HN 0.897 nan 8.150 nan 0.000 0.447 69 N N -1.216 117.465 118.700 -0.032 0.000 2.236 69 N HA 0.181 4.920 4.740 -0.000 0.000 0.196 69 N C 0.017 175.512 175.510 -0.025 0.000 1.114 69 N CA 0.109 53.142 53.050 -0.028 0.000 0.859 69 N CB 0.158 38.638 38.487 -0.013 0.000 0.982 69 N HN 0.420 nan 8.380 nan 0.000 0.493 70 M N 0.097 119.683 119.600 -0.023 0.000 2.550 70 M HA 0.459 4.938 4.480 -0.000 0.000 0.292 70 M C -2.836 173.447 176.300 -0.027 0.000 1.221 70 M CA -1.953 53.341 55.300 -0.010 0.000 0.873 70 M CB 2.985 35.600 32.600 0.024 0.000 1.727 70 M HN -0.312 nan 8.290 nan 0.000 0.459 71 P HA 0.128 nan 4.420 nan 0.000 0.270 71 P C -0.967 176.350 177.300 0.028 0.000 1.223 71 P CA -0.049 63.040 63.100 -0.018 0.000 0.785 71 P CB 0.489 32.202 31.700 0.022 0.000 0.923 72 T N 1.466 116.061 114.554 0.068 0.000 3.009 72 T HA 0.186 4.536 4.350 -0.000 0.000 0.346 72 T C 0.317 175.158 174.700 0.235 0.000 1.092 72 T CA -0.353 61.824 62.100 0.128 0.000 1.080 72 T CB 0.278 69.232 68.868 0.143 0.000 1.037 72 T HN 0.345 nan 8.240 nan 0.000 0.487 73 E N 3.029 123.319 120.200 0.150 0.000 2.474 73 E HA 0.080 4.430 4.350 -0.000 0.000 0.195 73 E C 0.676 177.291 176.600 0.025 0.000 1.039 73 E CA -0.200 56.301 56.400 0.169 0.000 0.881 73 E CB 0.043 29.820 29.700 0.127 0.000 0.970 73 E HN 0.493 nan 8.360 nan 0.000 0.486 74 M N -0.709 118.841 119.600 -0.084 0.000 2.763 74 M HA -0.241 4.238 4.480 -0.000 0.000 0.178 74 M C 1.052 177.153 176.300 -0.332 0.000 0.620 74 M CA 1.339 56.481 55.300 -0.264 0.000 0.594 74 M CB -2.909 29.372 32.600 -0.532 0.000 2.167 74 M HN 0.464 nan 8.290 nan 0.000 0.512 75 G N 0.279 108.973 108.800 -0.176 0.000 2.203 75 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.263 75 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.263 75 G C 0.083 174.861 174.900 -0.203 0.000 1.012 75 G CA 1.009 46.016 45.100 -0.155 0.000 0.749 75 G HN 1.100 nan 8.290 nan 0.000 0.512 76 S N -1.003 114.565 115.700 -0.221 0.000 2.541 76 S HA 0.561 5.031 4.470 -0.000 0.000 0.280 76 S C 1.255 175.866 174.600 0.018 0.000 1.112 76 S CA 0.395 58.500 58.200 -0.157 0.000 0.925 76 S CB 1.200 64.153 63.200 -0.413 0.000 1.067 76 S HN 0.490 nan 8.310 nan 0.000 0.479 77 E N 3.507 123.731 120.200 0.041 0.000 2.204 77 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 77 E C 1.433 178.066 176.600 0.056 0.000 0.990 77 E CA 1.152 57.583 56.400 0.052 0.000 0.821 77 E CB -0.424 29.299 29.700 0.040 0.000 0.750 77 E HN 0.756 nan 8.360 nan 0.000 0.477 78 I N 0.098 120.718 120.570 0.083 0.000 2.335 78 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 78 I C 1.097 177.128 176.117 -0.143 0.000 1.129 78 I CA 1.202 62.484 61.300 -0.030 0.000 1.402 78 I CB -0.126 37.935 38.000 0.101 0.000 1.069 78 I HN 0.101 nan 8.210 nan 0.000 0.424 79 Y N 0.164 120.505 120.300 0.067 0.000 2.708 79 Y HA 0.275 4.825 4.550 -0.000 0.000 0.287 79 Y C 0.837 176.830 175.900 0.154 0.000 1.145 79 Y CA -0.819 57.344 58.100 0.105 0.000 1.249 79 Y CB -0.126 38.388 38.460 0.089 0.000 1.152 79 Y HN -0.053 nan 8.280 nan 0.000 0.532 80 R N 0.726 121.332 120.500 0.177 0.000 2.522 80 R HA 0.284 4.623 4.340 -0.000 0.000 0.284 80 R C 1.337 177.740 176.300 0.171 0.000 1.032 80 R CA 1.165 57.352 56.100 0.144 0.000 1.049 80 R CB -0.180 30.170 30.300 0.085 0.000 0.956 80 R HN 0.571 nan 8.270 nan 0.000 0.422 81 G N 3.604 112.498 108.800 0.157 0.000 2.189 81 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 81 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 81 G C 0.008 175.018 174.900 0.183 0.000 0.975 81 G CA 0.266 45.446 45.100 0.133 0.000 0.644 81 G HN 0.718 nan 8.290 nan 0.000 0.537 82 W N 1.340 122.695 121.300 0.092 0.000 2.308 82 W HA 0.545 5.205 4.660 -0.000 0.000 0.324 82 W C 0.029 176.602 176.519 0.089 0.000 1.387 82 W CA -0.042 57.374 57.345 0.118 0.000 1.250 82 W CB 0.727 30.347 29.460 0.267 0.000 1.257 82 W HN 0.197 nan 8.180 nan 0.000 0.554 83 Q N 8.495 127.720 119.800 -0.958 0.000 2.381 83 Q HA 0.398 4.738 4.340 -0.000 0.000 0.263 83 Q C -2.480 172.872 176.000 -1.081 0.000 1.030 83 Q CA -2.223 53.109 55.803 -0.785 0.000 0.772 83 Q CB 1.450 29.938 28.738 -0.416 0.000 1.232 83 Q HN 0.155 nan 8.270 nan 0.000 0.476 84 P HA 0.149 nan 4.420 nan 0.000 0.272 84 P C -0.163 176.992 177.300 -0.241 0.000 1.223 84 P CA -0.280 62.598 63.100 -0.371 0.000 0.784 84 P CB 0.977 32.628 31.700 -0.083 0.000 0.923 85 R N 1.763 122.186 120.500 -0.127 0.000 2.075 85 R HA 0.011 4.350 4.340 -0.000 0.000 0.226 85 R C 0.395 176.667 176.300 -0.047 0.000 1.114 85 R CA 1.496 57.547 56.100 -0.082 0.000 0.972 85 R CB -0.595 29.685 30.300 -0.032 0.000 0.869 85 R HN 0.605 nan 8.270 nan 0.000 0.437 86 S N -0.446 115.242 115.700 -0.019 0.000 2.648 86 S HA 0.457 4.927 4.470 -0.000 0.000 0.305 86 S C -0.950 173.650 174.600 0.000 0.000 1.094 86 S CA -1.132 57.065 58.200 -0.006 0.000 0.983 86 S CB 1.904 65.109 63.200 0.008 0.000 1.101 86 S HN 0.076 nan 8.310 nan 0.000 0.514 87 D N 1.382 121.784 120.400 0.003 0.000 2.302 87 D HA 0.474 5.114 4.640 -0.000 0.000 0.248 87 D C 0.420 176.732 176.300 0.019 0.000 1.094 87 D CA 0.119 54.125 54.000 0.010 0.000 0.897 87 D CB 1.475 42.281 40.800 0.009 0.000 1.200 87 D HN 0.818 nan 8.370 nan 0.000 0.429 88 A N 3.935 126.771 122.820 0.026 0.000 2.483 88 A HA 0.201 4.520 4.320 -0.000 0.000 0.238 88 A C -1.349 176.249 177.584 0.024 0.000 1.070 88 A CA -0.798 51.258 52.037 0.031 0.000 0.770 88 A CB 0.135 19.158 19.000 0.038 0.000 1.008 88 A HN 0.338 nan 8.150 nan 0.000 0.497 89 P HA -0.206 nan 4.420 nan 0.000 0.216 89 P C 1.628 178.937 177.300 0.015 0.000 1.154 89 P CA 2.285 65.395 63.100 0.017 0.000 0.865 89 P CB -0.283 31.426 31.700 0.016 0.000 0.789 90 V N -3.349 116.576 119.914 0.017 0.000 2.407 90 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 90 V C 2.097 178.199 176.094 0.013 0.000 1.055 90 V CA 1.885 64.193 62.300 0.013 0.000 1.049 90 V CB -1.833 30.000 31.823 0.017 0.000 0.662 90 V HN -0.047 nan 8.190 nan 0.000 0.455 91 V N -0.208 119.717 119.914 0.018 0.000 2.295 91 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 91 V C 2.797 178.899 176.094 0.014 0.000 1.049 91 V CA 2.491 64.802 62.300 0.019 0.000 1.024 91 V CB -0.670 31.166 31.823 0.022 0.000 0.648 91 V HN 0.410 nan 8.190 nan 0.000 0.447 92 M N -1.143 118.465 119.600 0.013 0.000 2.202 92 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 92 M C 2.150 178.455 176.300 0.008 0.000 1.063 92 M CA 1.790 57.096 55.300 0.010 0.000 1.097 92 M CB -1.047 31.559 32.600 0.010 0.000 1.382 92 M HN 0.341 nan 8.290 nan 0.000 0.413 93 M N -0.608 118.996 119.600 0.007 0.000 2.159 93 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 93 M C 2.092 178.392 176.300 0.001 0.000 1.063 93 M CA 1.373 56.675 55.300 0.003 0.000 1.110 93 M CB -0.418 32.181 32.600 -0.001 0.000 1.374 93 M HN 0.208 nan 8.290 nan 0.000 0.411 94 L N -0.262 120.962 121.223 0.001 0.000 2.044 94 L HA -0.180 4.159 4.340 -0.000 0.000 0.205 94 L C 2.486 179.359 176.870 0.005 0.000 1.075 94 L CA 1.214 56.054 54.840 0.001 0.000 0.747 94 L CB -0.632 41.430 42.059 0.004 0.000 0.903 94 L HN 0.239 nan 8.230 nan 0.000 0.435 95 K N 0.198 120.603 120.400 0.008 0.000 2.057 95 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 95 K C 2.186 178.790 176.600 0.008 0.000 1.049 95 K CA 1.268 57.560 56.287 0.010 0.000 0.931 95 K CB -0.232 32.274 32.500 0.011 0.000 0.714 95 K HN 0.267 nan 8.250 nan 0.000 0.440 96 R N 0.402 120.906 120.500 0.007 0.000 2.189 96 R HA -0.039 4.300 4.340 -0.000 0.000 0.223 96 R C 1.977 178.281 176.300 0.007 0.000 1.092 96 R CA 0.914 57.018 56.100 0.007 0.000 0.989 96 R CB -0.120 30.184 30.300 0.008 0.000 0.876 96 R HN 0.175 nan 8.270 nan 0.000 0.457 97 A N -0.280 122.543 122.820 0.006 0.000 2.251 97 A HA 0.244 4.563 4.320 -0.000 0.000 0.209 97 A C 1.363 178.950 177.584 0.005 0.000 1.187 97 A CA 0.765 52.805 52.037 0.005 0.000 0.823 97 A CB 0.208 19.208 19.000 0.000 0.000 0.846 97 A HN 0.410 nan 8.150 nan 0.000 0.486 98 G N -2.142 106.661 108.800 0.006 0.000 2.163 98 G HA2 0.143 4.103 3.960 -0.000 0.000 0.213 98 G HA3 0.143 4.103 3.960 -0.000 0.000 0.213 98 G C 0.451 175.355 174.900 0.007 0.000 0.991 98 G CA 0.188 45.292 45.100 0.007 0.000 0.653 98 G HN 1.450 nan 8.290 nan 0.000 0.518 99 A N -0.244 122.580 122.820 0.006 0.000 2.346 99 A HA 0.744 5.064 4.320 -0.000 0.000 0.252 99 A C 0.564 178.155 177.584 0.011 0.000 1.089 99 A CA 1.036 53.076 52.037 0.006 0.000 0.797 99 A CB 0.533 19.535 19.000 0.003 0.000 1.047 99 A HN 0.743 nan 8.150 nan 0.000 0.494 100 T N 2.133 116.693 114.554 0.011 0.000 2.779 100 T HA 0.421 4.771 4.350 -0.000 0.000 0.280 100 T C -0.182 174.530 174.700 0.021 0.000 0.987 100 T CA -0.199 61.911 62.100 0.017 0.000 0.966 100 T CB 0.515 69.392 68.868 0.014 0.000 0.933 100 T HN 0.365 nan 8.240 nan 0.000 0.442 101 I N 4.623 125.214 120.570 0.034 0.000 2.294 101 I HA 0.236 4.406 4.170 -0.000 0.000 0.295 101 I C 1.184 177.341 176.117 0.067 0.000 1.098 101 I CA -0.111 61.218 61.300 0.050 0.000 1.277 101 I CB 0.166 38.194 38.000 0.048 0.000 1.434 101 I HN 0.738 nan 8.210 nan 0.000 0.498 102 I N 4.524 125.135 120.570 0.068 0.000 3.419 102 I HA 0.198 4.367 4.170 -0.000 0.000 0.286 102 I C 0.889 177.093 176.117 0.146 0.000 1.268 102 I CA 0.396 61.735 61.300 0.065 0.000 1.414 102 I CB 0.396 38.350 38.000 -0.076 0.000 1.074 102 I HN 0.708 nan 8.210 nan 0.000 0.457 103 G N 0.167 109.104 108.800 0.228 0.000 2.316 103 G HA2 0.183 4.143 3.960 -0.000 0.000 0.296 103 G HA3 0.183 4.143 3.960 -0.000 0.000 0.296 103 G C -1.815 173.292 174.900 0.345 0.000 1.399 103 G CA -0.853 44.445 45.100 0.329 0.000 0.833 103 G HN -0.200 nan 8.290 nan 0.000 0.565 104 K N 1.203 121.787 120.400 0.307 0.000 2.185 104 K HA 0.650 4.969 4.320 -0.000 0.000 0.269 104 K C 0.337 176.972 176.600 0.058 0.000 0.987 104 K CA -0.474 55.899 56.287 0.143 0.000 0.865 104 K CB 1.483 34.044 32.500 0.101 0.000 1.090 104 K HN 0.869 nan 8.250 nan 0.000 0.450 105 T N -1.799 112.671 114.554 -0.141 0.000 2.928 105 T HA 0.275 4.625 4.350 -0.000 0.000 0.284 105 T C 0.472 175.068 174.700 -0.174 0.000 1.008 105 T CA -0.806 61.096 62.100 -0.330 0.000 1.057 105 T CB 0.774 69.350 68.868 -0.486 0.000 1.018 105 T HN 0.559 nan 8.240 nan 0.000 0.493 106 T N 0.109 114.565 114.554 -0.163 0.000 2.946 106 T HA 0.370 4.720 4.350 -0.000 0.000 0.311 106 T C 0.221 174.865 174.700 -0.092 0.000 1.063 106 T CA -0.427 61.618 62.100 -0.091 0.000 1.139 106 T CB 0.438 69.268 68.868 -0.063 0.000 0.994 106 T HN 0.981 nan 8.240 nan 0.000 0.547 107 T N 1.454 115.969 114.554 -0.065 0.000 2.909 107 T HA 0.581 4.930 4.350 -0.000 0.000 0.299 107 T C 0.108 174.776 174.700 -0.053 0.000 1.073 107 T CA -0.422 61.644 62.100 -0.057 0.000 0.999 107 T CB 1.396 70.232 68.868 -0.053 0.000 1.098 107 T HN 1.110 nan 8.240 nan 0.000 0.477 108 T N 1.851 116.383 114.554 -0.037 0.000 2.860 108 T HA 0.573 4.923 4.350 -0.000 0.000 0.299 108 T C 0.809 175.476 174.700 -0.056 0.000 1.045 108 T CA -0.375 61.708 62.100 -0.028 0.000 1.071 108 T CB 0.265 69.131 68.868 -0.004 0.000 0.985 108 T HN 1.026 nan 8.240 nan 0.000 0.537 109 A N 1.858 124.640 122.820 -0.063 0.000 2.561 109 A HA 0.361 4.681 4.320 -0.000 0.000 0.251 109 A C 0.561 178.121 177.584 -0.040 0.000 1.062 109 A CA -0.400 51.536 52.037 -0.168 0.000 0.761 109 A CB -1.482 17.489 19.000 -0.047 0.000 0.986 109 A HN 1.060 nan 8.150 nan 0.000 0.510 110 F N 0.414 120.406 119.950 0.070 0.000 3.097 110 F HA -0.272 4.255 4.527 0.000 0.000 0.278 110 F C 1.418 177.288 175.800 0.116 0.000 0.917 110 F CA 1.330 59.393 58.000 0.106 0.000 0.962 110 F CB -2.025 37.069 39.000 0.157 0.000 0.964 110 F HN 1.786 nan 8.300 nan 0.000 0.668 111 A N -1.132 121.750 122.820 0.102 0.000 2.822 111 A HA -0.162 4.158 4.320 -0.000 0.000 0.287 111 A C 1.047 178.577 177.584 -0.091 0.000 1.479 111 A CA 1.308 53.354 52.037 0.014 0.000 0.779 111 A CB -1.635 17.380 19.000 0.025 0.000 1.022 111 A HN 0.841 nan 8.150 nan 0.000 0.532 112 S N -1.673 114.011 115.700 -0.026 0.000 3.124 112 S HA 0.585 5.055 4.470 -0.000 0.000 0.234 112 S C 1.574 176.161 174.600 -0.022 0.000 1.045 112 S CA 0.138 58.288 58.200 -0.084 0.000 1.200 112 S CB 0.482 63.706 63.200 0.041 0.000 1.186 112 S HN 0.540 nan 8.310 nan 0.000 0.617 113 R N 0.775 121.282 120.500 0.011 0.000 2.115 113 R HA 0.113 4.452 4.340 -0.000 0.000 0.226 113 R C -0.233 176.089 176.300 0.036 0.000 1.100 113 R CA 0.689 56.804 56.100 0.025 0.000 0.980 113 R CB -0.444 29.876 30.300 0.034 0.000 0.875 113 R HN 0.572 nan 8.270 nan 0.000 0.445 114 D N 3.227 123.653 120.400 0.044 0.000 2.426 114 D HA 0.039 4.679 4.640 -0.000 0.000 0.261 114 D C -2.222 174.094 176.300 0.028 0.000 1.245 114 D CA -0.581 53.442 54.000 0.039 0.000 0.917 114 D CB 0.678 41.506 40.800 0.046 0.000 1.123 114 D HN -0.008 nan 8.370 nan 0.000 0.508 115 P HA -0.072 nan 4.420 nan 0.000 0.266 115 P C 0.385 177.695 177.300 0.017 0.000 1.193 115 P CA 0.156 63.272 63.100 0.027 0.000 0.770 115 P CB 0.553 32.270 31.700 0.029 0.000 0.836 116 T N -1.207 113.356 114.554 0.015 0.000 2.852 116 T HA 0.540 4.890 4.350 -0.000 0.000 0.281 116 T C 0.987 175.698 174.700 0.018 0.000 0.993 116 T CA -0.237 61.867 62.100 0.007 0.000 0.933 116 T CB 0.788 69.655 68.868 -0.002 0.000 1.187 116 T HN 0.253 nan 8.240 nan 0.000 0.559 117 A N 0.003 122.835 122.820 0.019 0.000 2.275 117 A HA 0.355 4.675 4.320 -0.000 0.000 0.212 117 A C 1.170 178.814 177.584 0.100 0.000 1.201 117 A CA -0.320 51.737 52.037 0.033 0.000 0.843 117 A CB -0.835 18.155 19.000 -0.016 0.000 0.873 117 A HN 0.811 nan 8.150 nan 0.000 0.492 118 T N 0.995 115.597 114.554 0.081 0.000 2.926 118 T HA 0.439 4.789 4.350 -0.000 0.000 0.307 118 T C -0.098 174.644 174.700 0.069 0.000 1.059 118 T CA 0.576 62.729 62.100 0.088 0.000 1.122 118 T CB 0.474 69.352 68.868 0.017 0.000 0.972 118 T HN 0.253 nan 8.240 nan 0.000 0.545 119 L N 2.487 123.733 121.223 0.038 0.000 2.354 119 L HA 0.461 4.800 4.340 -0.000 0.000 0.269 119 L C 0.554 177.424 176.870 -0.001 0.000 1.005 119 L CA -1.226 53.626 54.840 0.020 0.000 0.819 119 L CB 1.351 43.410 42.059 0.001 0.000 1.311 119 L HN 0.520 nan 8.230 nan 0.000 0.423 120 N N 2.456 121.176 118.700 0.033 0.000 2.447 120 N HA 0.051 4.791 4.740 -0.000 0.000 0.263 120 N C -1.928 173.573 175.510 -0.015 0.000 1.226 120 N CA -1.095 51.980 53.050 0.041 0.000 0.906 120 N CB 1.629 40.173 38.487 0.096 0.000 1.060 120 N HN 0.310 nan 8.380 nan 0.000 0.468 121 P HA -0.107 nan 4.420 nan 0.000 0.218 121 P C 0.608 177.730 177.300 -0.295 0.000 1.148 121 P CA 1.313 64.279 63.100 -0.223 0.000 0.822 121 P CB 0.115 31.622 31.700 -0.321 0.000 0.784 122 H N -2.768 116.294 119.070 -0.014 0.000 2.535 122 H HA 0.174 4.730 4.556 -0.000 0.000 0.273 122 H C 0.493 175.809 175.328 -0.020 0.000 0.983 122 H CA 0.797 56.832 56.048 -0.022 0.000 1.238 122 H CB 0.155 29.897 29.762 -0.034 0.000 1.412 122 H HN 0.149 nan 8.280 nan 0.000 0.562 123 N N 0.414 119.161 118.700 0.079 0.000 3.193 123 N HA -0.079 4.661 4.740 -0.000 0.000 0.234 123 N C 0.548 176.123 175.510 0.108 0.000 1.267 123 N CA 0.295 53.400 53.050 0.092 0.000 0.875 123 N CB 0.649 39.202 38.487 0.110 0.000 1.592 123 N HN 0.089 nan 8.380 nan 0.000 0.648 124 T N -1.022 113.563 114.554 0.051 0.000 3.052 124 T HA -0.036 4.314 4.350 -0.000 0.000 0.270 124 T C 1.598 176.319 174.700 0.036 0.000 1.147 124 T CA 1.347 63.463 62.100 0.028 0.000 1.089 124 T CB -0.190 68.674 68.868 -0.007 0.000 0.875 124 T HN 0.437 nan 8.240 nan 0.000 0.541 125 G N -0.248 108.588 108.800 0.059 0.000 2.985 125 G HA2 0.128 4.087 3.960 -0.000 0.000 0.209 125 G HA3 0.128 4.087 3.960 -0.000 0.000 0.209 125 G C 0.396 175.172 174.900 -0.206 0.000 1.165 125 G CA -0.262 44.809 45.100 -0.049 0.000 0.776 125 G HN 0.577 nan 8.290 nan 0.000 0.541 126 H N -0.569 118.488 119.070 -0.022 0.000 2.710 126 H HA 0.409 4.965 4.556 -0.000 0.000 0.361 126 H C -0.503 174.805 175.328 -0.033 0.000 1.175 126 H CA -0.615 55.407 56.048 -0.043 0.000 1.206 126 H CB 1.925 31.646 29.762 -0.068 0.000 1.750 126 H HN 0.091 nan 8.280 nan 0.000 0.553 127 S N 1.758 117.500 115.700 0.070 0.000 2.576 127 S HA 0.070 4.539 4.470 -0.000 0.000 0.276 127 S C -1.593 173.060 174.600 0.089 0.000 1.339 127 S CA -1.147 57.087 58.200 0.056 0.000 1.039 127 S CB 0.612 63.840 63.200 0.047 0.000 0.902 127 S HN 0.526 nan 8.310 nan 0.000 0.516 128 P HA 0.272 nan 4.420 nan 0.000 0.261 128 P C 0.778 178.233 177.300 0.259 0.000 1.268 128 P CA 0.598 63.785 63.100 0.145 0.000 0.833 128 P CB -0.372 31.361 31.700 0.054 0.000 1.231 129 G N -0.789 108.206 108.800 0.325 0.000 2.627 129 G HA2 0.258 4.218 3.960 -0.000 0.000 0.214 129 G HA3 0.258 4.218 3.960 -0.000 0.000 0.214 129 G C -0.429 174.558 174.900 0.145 0.000 1.331 129 G CA -0.608 44.713 45.100 0.369 0.000 0.891 129 G HN 0.584 nan 8.290 nan 0.000 0.539 130 G N -2.601 106.249 108.800 0.084 0.000 2.451 130 G HA2 0.710 4.670 3.960 -0.000 0.000 0.292 130 G HA3 0.710 4.670 3.960 -0.000 0.000 0.292 130 G C 0.702 175.620 174.900 0.029 0.000 1.427 130 G CA 0.933 46.058 45.100 0.042 0.000 0.792 130 G HN 2.124 nan 8.290 nan 0.000 0.498 131 S N -1.251 114.460 115.700 0.018 0.000 2.528 131 S HA 0.095 4.565 4.470 -0.000 0.000 0.219 131 S C 1.249 175.847 174.600 -0.004 0.000 0.985 131 S CA 0.985 59.187 58.200 0.004 0.000 0.914 131 S CB 0.188 63.380 63.200 -0.014 0.000 0.776 131 S HN 0.546 nan 8.310 nan 0.000 0.526 132 S N 2.250 117.961 115.700 0.017 0.000 3.456 132 S HA 0.559 5.029 4.470 -0.000 0.000 0.229 132 S C 1.513 176.018 174.600 -0.159 0.000 1.416 132 S CA 0.134 58.312 58.200 -0.037 0.000 1.197 132 S CB -0.224 63.036 63.200 0.100 0.000 1.201 132 S HN 0.666 nan 8.310 nan 0.000 0.479 133 A N 2.263 125.018 122.820 -0.109 0.000 1.851 133 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 133 A C 2.304 179.767 177.584 -0.202 0.000 1.195 133 A CA 1.820 53.789 52.037 -0.112 0.000 0.622 133 A CB -1.359 17.612 19.000 -0.049 0.000 0.831 133 A HN 0.617 nan 8.150 nan 0.000 0.444 134 G N -1.125 107.539 108.800 -0.227 0.000 2.422 134 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 134 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 134 G C 1.801 176.434 174.900 -0.446 0.000 1.146 134 G CA 1.332 46.243 45.100 -0.314 0.000 0.769 134 G HN 0.491 nan 8.290 nan 0.000 0.547 135 S N 0.875 116.266 115.700 -0.514 0.000 2.368 135 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 135 S C 2.756 176.840 174.600 -0.859 0.000 1.029 135 S CA 1.161 58.962 58.200 -0.665 0.000 0.988 135 S CB -0.275 62.495 63.200 -0.717 0.000 0.838 135 S HN 0.576 nan 8.310 nan 0.000 0.462 136 A N 1.456 123.686 122.820 -0.984 0.000 1.897 136 A HA 0.264 4.583 4.320 -0.000 0.000 0.215 136 A C 2.343 179.771 177.584 -0.259 0.000 1.181 136 A CA 1.464 53.124 52.037 -0.628 0.000 0.620 136 A CB -1.048 17.745 19.000 -0.345 0.000 0.821 136 A HN 0.488 nan 8.150 nan 0.000 0.443 137 A N 0.014 122.692 122.820 -0.237 0.000 1.902 137 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 137 A C 2.499 179.991 177.584 -0.152 0.000 1.181 137 A CA 2.118 54.065 52.037 -0.149 0.000 0.623 137 A CB -1.014 17.908 19.000 -0.130 0.000 0.818 137 A HN 1.016 nan 8.150 nan 0.000 0.443 138 A N -0.698 121.994 122.820 -0.213 0.000 1.902 138 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 138 A C 2.221 179.753 177.584 -0.088 0.000 1.181 138 A CA 1.798 53.746 52.037 -0.148 0.000 0.623 138 A CB -0.839 17.993 19.000 -0.279 0.000 0.818 138 A HN 0.388 nan 8.150 nan 0.000 0.443 139 V N -0.244 119.606 119.914 -0.105 0.000 2.453 139 V HA -0.109 4.011 4.120 -0.000 0.000 0.247 139 V C 2.765 178.846 176.094 -0.022 0.000 1.048 139 V CA 1.763 64.040 62.300 -0.038 0.000 1.049 139 V CB -1.257 30.572 31.823 0.010 0.000 0.672 139 V HN 0.604 nan 8.190 nan 0.000 0.457 140 G N -0.358 108.423 108.800 -0.032 0.000 2.443 140 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.219 140 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.219 140 G C 1.488 176.328 174.900 -0.100 0.000 1.131 140 G CA 0.829 45.919 45.100 -0.016 0.000 0.775 140 G HN 0.609 nan 8.290 nan 0.000 0.547 141 A N -0.277 122.479 122.820 -0.106 0.000 2.251 141 A HA 0.476 4.796 4.320 -0.000 0.000 0.209 141 A C 1.949 179.490 177.584 -0.072 0.000 1.187 141 A CA 1.194 53.161 52.037 -0.116 0.000 0.823 141 A CB -0.437 18.505 19.000 -0.098 0.000 0.846 141 A HN 1.533 nan 8.150 nan 0.000 0.486 142 G N -1.098 107.673 108.800 -0.048 0.000 2.147 142 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.244 142 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.244 142 G C 0.744 175.629 174.900 -0.025 0.000 1.005 142 G CA 0.707 45.788 45.100 -0.031 0.000 0.713 142 G HN 0.391 nan 8.290 nan 0.000 0.515 143 M N -0.540 119.050 119.600 -0.017 0.000 2.248 143 M HA 0.294 4.773 4.480 -0.000 0.000 0.265 143 M C 1.510 177.803 176.300 -0.011 0.000 1.079 143 M CA 1.587 56.883 55.300 -0.007 0.000 1.150 143 M CB 0.047 32.679 32.600 0.053 0.000 1.366 143 M HN 0.573 nan 8.290 nan 0.000 0.433 144 I N -3.750 116.822 120.570 0.004 0.000 2.969 144 I HA 0.382 4.552 4.170 -0.000 0.000 0.307 144 I C -2.388 173.726 176.117 -0.005 0.000 1.149 144 I CA -2.202 59.098 61.300 0.000 0.000 1.008 144 I CB 1.918 39.941 38.000 0.039 0.000 1.232 144 I HN -0.210 nan 8.210 nan 0.000 0.435 145 P HA 0.119 nan 4.420 nan 0.000 0.227 145 P C -0.109 177.190 177.300 -0.002 0.000 1.161 145 P CA 0.687 63.780 63.100 -0.011 0.000 0.788 145 P CB 0.813 32.501 31.700 -0.019 0.000 0.822 146 L N -1.042 120.186 121.223 0.008 0.000 2.465 146 L HA 0.770 5.110 4.340 -0.000 0.000 0.257 146 L C -1.914 174.979 176.870 0.038 0.000 0.988 146 L CA -0.989 53.866 54.840 0.025 0.000 0.827 146 L CB 2.185 44.247 42.059 0.006 0.000 1.397 146 L HN -0.072 nan 8.230 nan 0.000 0.410 147 A N 3.345 126.214 122.820 0.081 0.000 2.589 147 A HA 0.745 5.064 4.320 -0.000 0.000 0.296 147 A C -2.069 175.622 177.584 0.178 0.000 1.062 147 A CA -0.517 51.563 52.037 0.072 0.000 0.686 147 A CB 1.265 20.245 19.000 -0.034 0.000 1.282 147 A HN 0.634 nan 8.150 nan 0.000 0.404 148 L N 1.537 122.831 121.223 0.119 0.000 2.322 148 L HA 0.796 5.135 4.340 -0.000 0.000 0.279 148 L C 0.792 177.773 176.870 0.186 0.000 1.036 148 L CA -0.354 54.574 54.840 0.147 0.000 0.807 148 L CB 1.933 44.036 42.059 0.072 0.000 1.226 148 L HN 0.987 nan 8.230 nan 0.000 0.433 149 G N 0.496 109.452 108.800 0.261 0.000 2.975 149 G HA2 0.743 4.703 3.960 -0.000 0.000 0.291 149 G HA3 0.743 4.703 3.960 -0.000 0.000 0.291 149 G C -1.102 173.902 174.900 0.174 0.000 1.334 149 G CA -0.181 45.081 45.100 0.271 0.000 0.843 149 G HN 0.554 nan 8.290 nan 0.000 0.548 150 T N -2.950 111.698 114.554 0.157 0.000 2.864 150 T HA 0.726 5.075 4.350 -0.000 0.000 0.299 150 T C -1.076 173.694 174.700 0.115 0.000 1.166 150 T CA -0.670 61.502 62.100 0.120 0.000 1.007 150 T CB 2.255 71.189 68.868 0.110 0.000 1.219 150 T HN 0.753 nan 8.240 nan 0.000 0.506 151 Q N -0.071 119.798 119.800 0.115 0.000 2.263 151 Q HA 0.520 4.860 4.340 -0.000 0.000 0.262 151 Q C -0.578 175.497 176.000 0.125 0.000 0.984 151 Q CA -0.593 55.273 55.803 0.106 0.000 0.813 151 Q CB 1.992 30.792 28.738 0.104 0.000 1.299 151 Q HN 0.836 nan 8.270 nan 0.000 0.428 152 T N 1.479 116.087 114.554 0.089 0.000 3.018 152 T HA 0.254 4.604 4.350 -0.000 0.000 0.246 152 T C 0.643 175.445 174.700 0.171 0.000 1.026 152 T CA 0.832 62.994 62.100 0.105 0.000 1.081 152 T CB 0.604 69.479 68.868 0.011 0.000 0.970 152 T HN 0.678 nan 8.240 nan 0.000 0.475 153 G N 0.324 109.184 108.800 0.100 0.000 2.529 153 G HA2 0.468 4.428 3.960 -0.000 0.000 0.193 153 G HA3 0.468 4.428 3.960 -0.000 0.000 0.193 153 G C 0.897 175.810 174.900 0.021 0.000 1.230 153 G CA 0.472 45.594 45.100 0.038 0.000 0.668 153 G HN 0.438 nan 8.290 nan 0.000 0.665 154 G N 0.273 109.086 108.800 0.023 0.000 4.596 154 G HA2 0.327 4.287 3.960 -0.000 0.000 0.276 154 G HA3 0.327 4.287 3.960 -0.000 0.000 0.276 154 G C 0.915 175.837 174.900 0.036 0.000 1.013 154 G CA 0.970 46.096 45.100 0.043 0.000 0.778 154 G HN 0.241 nan 8.290 nan 0.000 0.389 155 S N -0.037 115.689 115.700 0.045 0.000 2.493 155 S HA -0.063 4.407 4.470 -0.000 0.000 0.243 155 S C 2.117 176.803 174.600 0.144 0.000 0.991 155 S CA 1.119 59.359 58.200 0.067 0.000 0.957 155 S CB 0.204 63.436 63.200 0.053 0.000 0.756 155 S HN 0.258 nan 8.310 nan 0.000 0.521 156 V N 0.705 120.688 119.914 0.115 0.000 2.721 156 V HA 0.087 4.206 4.120 -0.000 0.000 0.236 156 V C 1.996 178.100 176.094 0.017 0.000 1.116 156 V CA 0.340 62.700 62.300 0.100 0.000 1.148 156 V CB -0.258 31.506 31.823 -0.100 0.000 0.886 156 V HN 0.324 nan 8.190 nan 0.000 0.490 157 I N 0.692 121.252 120.570 -0.017 0.000 2.163 157 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 157 I C 2.564 178.666 176.117 -0.025 0.000 1.085 157 I CA 1.838 63.123 61.300 -0.024 0.000 1.347 157 I CB -1.105 36.903 38.000 0.013 0.000 1.044 157 I HN 0.321 nan 8.210 nan 0.000 0.408 158 R N 1.162 121.625 120.500 -0.061 0.000 2.070 158 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 158 R C -0.422 175.664 176.300 -0.356 0.000 1.137 158 R CA 1.821 57.766 56.100 -0.258 0.000 0.945 158 R CB -1.092 29.033 30.300 -0.292 0.000 0.845 158 R HN 0.238 nan 8.270 nan 0.000 0.430 159 P HA -0.106 nan 4.420 nan 0.000 0.218 159 P C 0.810 178.199 177.300 0.147 0.000 1.149 159 P CA 1.784 64.894 63.100 0.017 0.000 0.817 159 P CB -0.018 31.730 31.700 0.080 0.000 0.785 160 A N 0.844 123.818 122.820 0.256 0.000 1.877 160 A HA -0.065 4.254 4.320 -0.000 0.000 0.216 160 A C 2.535 180.204 177.584 0.143 0.000 1.186 160 A CA 2.241 54.449 52.037 0.286 0.000 0.620 160 A CB -1.560 17.554 19.000 0.190 0.000 0.822 160 A HN 0.227 nan 8.150 nan 0.000 0.443 161 A N -1.121 121.736 122.820 0.061 0.000 1.865 161 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 161 A C 2.148 179.835 177.584 0.171 0.000 1.191 161 A CA 1.528 53.602 52.037 0.062 0.000 0.623 161 A CB -1.059 17.943 19.000 0.004 0.000 0.826 161 A HN 0.676 nan 8.150 nan 0.000 0.444 162 Y N -0.992 119.343 120.300 0.059 0.000 2.207 162 Y HA -0.302 4.248 4.550 -0.000 0.000 0.287 162 Y C 2.382 178.324 175.900 0.070 0.000 1.156 162 Y CA 0.788 58.916 58.100 0.047 0.000 1.182 162 Y CB -0.276 38.221 38.460 0.062 0.000 0.979 162 Y HN 0.383 nan 8.280 nan 0.000 0.521 163 C N -0.340 119.123 119.300 0.272 0.000 2.791 163 C HA 0.315 4.775 4.460 -0.000 0.000 0.270 163 C C 1.635 176.798 174.990 0.289 0.000 1.257 163 C CA 0.467 59.651 59.018 0.277 0.000 1.699 163 C CB -0.750 27.089 27.740 0.165 0.000 1.904 163 C HN 0.782 nan 8.230 nan 0.000 0.603 164 G N 2.587 111.473 108.800 0.144 0.000 2.273 164 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.280 164 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.280 164 G C 0.105 175.071 174.900 0.109 0.000 1.047 164 G CA 0.784 45.925 45.100 0.069 0.000 0.869 164 G HN 0.704 nan 8.290 nan 0.000 0.502 165 T N -2.851 111.777 114.554 0.123 0.000 2.932 165 T HA 0.876 5.226 4.350 -0.000 0.000 0.289 165 T C 0.387 175.131 174.700 0.073 0.000 1.039 165 T CA 0.316 62.483 62.100 0.111 0.000 1.024 165 T CB 2.263 71.233 68.868 0.169 0.000 1.090 165 T HN 1.728 nan 8.240 nan 0.000 0.496 166 A N 1.067 123.905 122.820 0.029 0.000 2.371 166 A HA 0.833 5.153 4.320 -0.000 0.000 0.257 166 A C 0.380 177.929 177.584 -0.058 0.000 1.089 166 A CA -0.215 51.806 52.037 -0.027 0.000 0.794 166 A CB -0.289 18.674 19.000 -0.063 0.000 1.029 166 A HN 1.858 nan 8.150 nan 0.000 0.488 167 A N 0.908 123.646 122.820 -0.137 0.000 2.605 167 A HA 0.667 4.987 4.320 -0.000 0.000 0.294 167 A C -1.170 176.263 177.584 -0.251 0.000 1.062 167 A CA -0.237 51.617 52.037 -0.305 0.000 0.682 167 A CB 0.754 19.420 19.000 -0.556 0.000 1.278 167 A HN 1.643 nan 8.150 nan 0.000 0.410 168 I N 0.826 121.226 120.570 -0.284 0.000 2.569 168 I HA 0.525 4.695 4.170 -0.000 0.000 0.290 168 I C -0.704 175.320 176.117 -0.155 0.000 1.088 168 I CA -0.540 60.656 61.300 -0.172 0.000 1.047 168 I CB 1.725 39.656 38.000 -0.115 0.000 1.237 168 I HN 0.662 nan 8.210 nan 0.000 0.421 169 K N 9.157 129.514 120.400 -0.072 0.000 2.354 169 K HA 0.523 4.842 4.320 -0.000 0.000 0.257 169 K C -2.723 173.908 176.600 0.052 0.000 1.062 169 K CA -1.642 54.644 56.287 -0.002 0.000 0.971 169 K CB 1.107 33.637 32.500 0.050 0.000 1.305 169 K HN 0.270 nan 8.250 nan 0.000 0.449 170 P HA -0.008 nan 4.420 nan 0.000 0.272 170 P C -0.538 176.849 177.300 0.145 0.000 1.254 170 P CA -0.264 62.882 63.100 0.076 0.000 0.795 170 P CB 0.469 32.196 31.700 0.046 0.000 1.022 171 S N -0.101 115.670 115.700 0.118 0.000 2.558 171 S HA 0.012 4.482 4.470 -0.000 0.000 0.288 171 S C 0.159 174.975 174.600 0.361 0.000 1.318 171 S CA -0.120 58.189 58.200 0.182 0.000 1.056 171 S CB -0.614 62.414 63.200 -0.287 0.000 0.853 171 S HN 0.282 nan 8.310 nan 0.000 0.505 172 F N 3.792 124.030 119.950 0.481 0.000 2.623 172 F HA -0.010 4.516 4.527 -0.001 0.000 0.386 172 F C 1.515 177.507 175.800 0.320 0.000 1.068 172 F CA 0.410 58.626 58.000 0.360 0.000 1.265 172 F CB -0.171 39.013 39.000 0.307 0.000 1.026 172 F HN 0.762 nan 8.300 nan 0.000 0.568 173 R N 3.059 123.300 120.500 -0.432 0.000 4.000 173 R HA -0.303 4.037 4.340 -0.000 0.000 0.362 173 R C 1.486 177.729 176.300 -0.095 0.000 1.183 173 R CA 1.169 57.046 56.100 -0.372 0.000 1.011 173 R CB -1.808 28.208 30.300 -0.473 0.000 1.501 173 R HN 0.849 nan 8.270 nan 0.000 0.553 174 M N 0.384 119.976 119.600 -0.013 0.000 2.200 174 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 174 M C 0.243 176.545 176.300 0.004 0.000 1.066 174 M CA 1.558 56.863 55.300 0.007 0.000 1.127 174 M CB 0.371 32.990 32.600 0.032 0.000 1.379 174 M HN 0.141 nan 8.290 nan 0.000 0.420 175 L N 2.525 123.746 121.223 -0.003 0.000 2.295 175 L HA 0.423 4.763 4.340 -0.000 0.000 0.285 175 L C -2.092 174.768 176.870 -0.016 0.000 1.035 175 L CA -2.231 52.607 54.840 -0.004 0.000 0.806 175 L CB 0.999 43.058 42.059 -0.000 0.000 1.214 175 L HN 0.074 nan 8.230 nan 0.000 0.426 176 P HA 0.060 nan 4.420 nan 0.000 0.271 176 P C 0.212 177.517 177.300 0.009 0.000 1.216 176 P CA -0.237 62.858 63.100 -0.009 0.000 0.776 176 P CB 0.934 32.635 31.700 0.001 0.000 0.881 177 T N -1.890 112.673 114.554 0.015 0.000 3.145 177 T HA 0.149 4.499 4.350 -0.000 0.000 0.255 177 T C 0.707 175.439 174.700 0.054 0.000 1.039 177 T CA -0.340 61.789 62.100 0.048 0.000 0.928 177 T CB -0.475 68.439 68.868 0.076 0.000 1.029 177 T HN 0.082 nan 8.240 nan 0.000 0.554 178 V N 2.086 122.023 119.914 0.037 0.000 2.673 178 V HA 0.426 4.546 4.120 -0.000 0.000 0.303 178 V C 1.688 177.810 176.094 0.046 0.000 1.046 178 V CA 1.128 63.451 62.300 0.037 0.000 1.126 178 V CB -0.038 31.800 31.823 0.026 0.000 0.934 178 V HN 0.845 nan 8.190 nan 0.000 0.487 179 G N 3.668 112.501 108.800 0.054 0.000 2.179 179 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.257 179 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.257 179 G C -0.113 174.829 174.900 0.070 0.000 1.010 179 G CA 0.152 45.291 45.100 0.065 0.000 0.736 179 G HN 0.871 nan 8.290 nan 0.000 0.513 180 V N 0.264 120.223 119.914 0.074 0.000 2.407 180 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 180 V C 0.597 176.748 176.094 0.095 0.000 1.018 180 V CA -1.340 61.009 62.300 0.081 0.000 0.842 180 V CB 1.684 33.559 31.823 0.086 0.000 0.996 180 V HN 0.361 nan 8.190 nan 0.000 0.426 181 K N 3.732 124.183 120.400 0.084 0.000 2.440 181 K HA -0.027 4.293 4.320 -0.000 0.000 0.275 181 K C -0.206 176.484 176.600 0.150 0.000 1.082 181 K CA 0.433 56.776 56.287 0.093 0.000 1.135 181 K CB -0.312 32.231 32.500 0.073 0.000 0.864 181 K HN 0.827 nan 8.250 nan 0.000 0.479 182 C N 5.838 125.232 119.300 0.158 0.000 2.536 182 C HA 0.367 4.826 4.460 -0.000 0.000 0.396 182 C C 0.950 176.073 174.990 0.223 0.000 1.279 182 C CA -0.539 58.605 59.018 0.209 0.000 2.148 182 C CB -0.471 27.410 27.740 0.233 0.000 2.584 182 C HN 0.955 nan 8.230 nan 0.000 0.579 183 Y N 2.837 123.203 120.300 0.110 0.000 2.678 183 Y HA 0.327 4.877 4.550 -0.000 0.000 0.274 183 Y C 1.140 177.030 175.900 -0.017 0.000 1.114 183 Y CA 0.879 59.008 58.100 0.049 0.000 1.274 183 Y CB 0.032 38.523 38.460 0.051 0.000 1.438 183 Y HN 0.638 nan 8.280 nan 0.000 0.493 184 S N 0.438 116.258 115.700 0.200 0.000 2.775 184 S HA 0.170 4.640 4.470 -0.000 0.000 0.277 184 S C -0.185 174.432 174.600 0.027 0.000 1.156 184 S CA -0.569 57.591 58.200 -0.068 0.000 1.081 184 S CB -0.475 62.706 63.200 -0.031 0.000 1.054 184 S HN 0.460 nan 8.310 nan 0.000 0.482 185 W N 4.238 125.622 121.300 0.140 0.000 2.468 185 W HA 0.162 4.821 4.660 -0.002 0.000 0.262 185 W C 1.398 178.084 176.519 0.278 0.000 1.241 185 W CA 0.884 58.340 57.345 0.185 0.000 1.232 185 W CB -0.664 28.878 29.460 0.137 0.000 1.124 185 W HN 0.676 nan 8.180 nan 0.000 0.597 186 A N 0.359 123.138 122.820 -0.069 0.000 2.123 186 A HA 0.171 4.491 4.320 -0.000 0.000 0.214 186 A C 1.933 179.449 177.584 -0.114 0.000 1.152 186 A CA 1.161 53.210 52.037 0.021 0.000 0.728 186 A CB -0.369 18.530 19.000 -0.168 0.000 0.814 186 A HN 0.463 nan 8.150 nan 0.000 0.464 187 L N -1.476 119.743 121.223 -0.006 0.000 2.600 187 L HA 0.156 4.496 4.340 -0.000 0.000 0.213 187 L C -0.368 176.660 176.870 0.263 0.000 1.045 187 L CA -0.349 54.486 54.840 -0.008 0.000 0.863 187 L CB -0.311 41.720 42.059 -0.046 0.000 1.189 187 L HN 0.011 nan 8.230 nan 0.000 0.484 188 D N 2.285 122.863 120.400 0.296 0.000 2.793 188 D HA 0.039 4.679 4.640 -0.000 0.000 0.230 188 D C -0.197 176.318 176.300 0.358 0.000 1.139 188 D CA 1.031 55.208 54.000 0.295 0.000 0.838 188 D CB 0.400 41.361 40.800 0.269 0.000 1.149 188 D HN 0.068 nan 8.370 nan 0.000 0.526 189 T N 1.420 116.138 114.554 0.275 0.000 2.921 189 T HA 0.341 4.691 4.350 -0.000 0.000 0.297 189 T C 0.042 174.833 174.700 0.151 0.000 1.013 189 T CA -0.762 61.486 62.100 0.246 0.000 0.990 189 T CB 1.585 70.647 68.868 0.323 0.000 1.023 189 T HN -0.019 nan 8.240 nan 0.000 0.447 190 V N 2.491 122.468 119.914 0.105 0.000 2.686 190 V HA 0.718 4.838 4.120 -0.000 0.000 0.295 190 V C 0.925 177.045 176.094 0.044 0.000 1.055 190 V CA -0.042 62.301 62.300 0.073 0.000 1.050 190 V CB 1.221 33.073 31.823 0.050 0.000 0.984 190 V HN 1.094 nan 8.190 nan 0.000 0.482 191 G N 3.228 112.040 108.800 0.021 0.000 2.680 191 G HA2 0.725 4.685 3.960 -0.000 0.000 0.290 191 G HA3 0.725 4.685 3.960 -0.000 0.000 0.290 191 G C -1.866 172.973 174.900 -0.101 0.000 1.355 191 G CA -0.710 44.349 45.100 -0.067 0.000 0.903 191 G HN 0.438 nan 8.290 nan 0.000 0.474 192 L N -0.598 120.496 121.223 -0.216 0.000 2.341 192 L HA 0.717 5.057 4.340 -0.000 0.000 0.267 192 L C -1.052 175.601 176.870 -0.361 0.000 1.009 192 L CA -0.600 54.142 54.840 -0.163 0.000 0.819 192 L CB 1.915 43.904 42.059 -0.118 0.000 1.323 192 L HN 0.420 nan 8.230 nan 0.000 0.425 193 F N 0.235 120.156 119.950 -0.049 0.000 2.507 193 F HA 0.819 5.346 4.527 -0.000 0.000 0.325 193 F C 0.645 176.412 175.800 -0.055 0.000 1.116 193 F CA -0.492 57.479 58.000 -0.048 0.000 0.930 193 F CB 2.218 41.190 39.000 -0.046 0.000 1.146 193 F HN 0.473 nan 8.300 nan 0.000 0.447 194 G N 0.311 109.167 108.800 0.093 0.000 2.687 194 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 194 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 194 G C -0.052 174.852 174.900 0.007 0.000 1.420 194 G CA -0.211 44.904 45.100 0.025 0.000 0.796 194 G HN 0.773 nan 8.290 nan 0.000 0.485 195 A N -0.460 122.345 122.820 -0.025 0.000 1.841 195 A HA 0.305 4.625 4.320 -0.000 0.000 0.214 195 A C 1.404 178.950 177.584 -0.064 0.000 1.195 195 A CA 1.144 53.161 52.037 -0.033 0.000 0.611 195 A CB -0.182 18.791 19.000 -0.046 0.000 0.835 195 A HN 0.602 nan 8.150 nan 0.000 0.443 196 R N -3.889 116.538 120.500 -0.121 0.000 2.905 196 R HA 0.585 4.924 4.340 -0.000 0.000 0.260 196 R C 1.040 177.204 176.300 -0.227 0.000 1.086 196 R CA -0.157 55.835 56.100 -0.181 0.000 0.978 196 R CB 1.212 31.358 30.300 -0.258 0.000 1.215 196 R HN 0.182 nan 8.270 nan 0.000 0.480 197 A N 0.764 123.433 122.820 -0.251 0.000 1.948 197 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 197 A C 1.904 179.313 177.584 -0.290 0.000 1.177 197 A CA 2.225 54.138 52.037 -0.208 0.000 0.636 197 A CB -0.585 18.350 19.000 -0.108 0.000 0.815 197 A HN 0.885 nan 8.150 nan 0.000 0.449 198 E N -0.210 119.629 120.200 -0.602 0.000 2.110 198 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 198 E C 1.086 177.498 176.600 -0.313 0.000 0.988 198 E CA 1.343 57.354 56.400 -0.647 0.000 0.804 198 E CB -0.199 28.774 29.700 -1.212 0.000 0.745 198 E HN 0.616 nan 8.360 nan 0.000 0.458 199 D N 0.671 120.912 120.400 -0.265 0.000 2.178 199 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 199 D C 2.170 178.391 176.300 -0.132 0.000 0.974 199 D CA 0.706 54.610 54.000 -0.160 0.000 0.841 199 D CB -0.033 40.690 40.800 -0.129 0.000 0.953 199 D HN 0.326 nan 8.370 nan 0.000 0.478 200 L N 0.983 122.120 121.223 -0.144 0.000 2.027 200 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 200 L C 2.729 179.502 176.870 -0.161 0.000 1.074 200 L CA 1.070 55.826 54.840 -0.141 0.000 0.745 200 L CB -0.551 41.428 42.059 -0.134 0.000 0.898 200 L HN -0.035 nan 8.230 nan 0.000 0.433 201 A N -0.008 122.746 122.820 -0.110 0.000 1.883 201 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 201 A C 2.404 179.943 177.584 -0.074 0.000 1.186 201 A CA 1.487 53.494 52.037 -0.050 0.000 0.624 201 A CB -0.486 18.572 19.000 0.096 0.000 0.822 201 A HN 0.266 nan 8.150 nan 0.000 0.444 202 R N -0.777 119.688 120.500 -0.058 0.000 2.096 202 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 202 R C 2.391 178.646 176.300 -0.076 0.000 1.127 202 R CA 1.350 57.426 56.100 -0.039 0.000 0.968 202 R CB -1.269 29.008 30.300 -0.039 0.000 0.861 202 R HN 0.562 nan 8.270 nan 0.000 0.440 203 G N 1.117 109.849 108.800 -0.113 0.000 2.421 203 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 203 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 203 G C 1.615 176.406 174.900 -0.182 0.000 1.171 203 G CA 0.313 45.340 45.100 -0.121 0.000 0.775 203 G HN 0.188 nan 8.290 nan 0.000 0.543 204 L N -0.244 120.779 121.223 -0.333 0.000 2.141 204 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 204 L C 2.684 179.318 176.870 -0.394 0.000 1.094 204 L CA 0.340 54.844 54.840 -0.560 0.000 0.763 204 L CB -0.377 40.911 42.059 -1.286 0.000 0.908 204 L HN 0.231 nan 8.230 nan 0.000 0.437 205 L N 0.373 121.472 121.223 -0.206 0.000 2.017 205 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 205 L C 2.623 179.506 176.870 0.022 0.000 1.073 205 L CA 2.115 56.984 54.840 0.048 0.000 0.745 205 L CB -0.717 41.404 42.059 0.103 0.000 0.894 205 L HN 0.122 nan 8.230 nan 0.000 0.432 206 A N -0.887 121.922 122.820 -0.018 0.000 1.930 206 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 206 A C 2.255 179.832 177.584 -0.013 0.000 1.175 206 A CA 2.011 54.043 52.037 -0.008 0.000 0.627 206 A CB -0.519 18.471 19.000 -0.016 0.000 0.815 206 A HN 0.557 nan 8.150 nan 0.000 0.443 207 M N -0.558 119.017 119.600 -0.041 0.000 2.156 207 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 207 M C 2.342 178.637 176.300 -0.009 0.000 1.067 207 M CA 1.956 57.236 55.300 -0.034 0.000 1.131 207 M CB -0.319 32.243 32.600 -0.064 0.000 1.368 207 M HN 0.657 nan 8.290 nan 0.000 0.416 208 T N -3.832 110.725 114.554 0.004 0.000 3.040 208 T HA 0.280 4.630 4.350 -0.000 0.000 0.252 208 T C 1.520 176.266 174.700 0.077 0.000 1.064 208 T CA 0.682 62.815 62.100 0.055 0.000 1.110 208 T CB 0.080 69.020 68.868 0.119 0.000 0.921 208 T HN 0.562 nan 8.240 nan 0.000 0.480 209 G N 2.225 111.077 108.800 0.085 0.000 2.153 209 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 209 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 209 G C 0.047 175.004 174.900 0.095 0.000 0.994 209 G CA -0.032 45.114 45.100 0.077 0.000 0.698 209 G HN 0.709 nan 8.290 nan 0.000 0.521 210 R N 0.521 121.118 120.500 0.162 0.000 2.308 210 R HA 0.452 4.792 4.340 -0.000 0.000 0.305 210 R C 1.928 178.269 176.300 0.069 0.000 1.053 210 R CA 0.267 56.434 56.100 0.112 0.000 0.957 210 R CB 0.987 31.365 30.300 0.129 0.000 1.022 210 R HN 0.418 nan 8.270 nan 0.000 0.461 211 S N 2.259 117.955 115.700 -0.006 0.000 2.419 211 S HA -0.224 4.246 4.470 -0.000 0.000 0.235 211 S C 1.434 175.983 174.600 -0.086 0.000 1.019 211 S CA 1.457 59.644 58.200 -0.022 0.000 0.982 211 S CB -0.242 62.940 63.200 -0.030 0.000 0.789 211 S HN 0.799 nan 8.310 nan 0.000 0.490 212 E N 0.329 120.389 120.200 -0.233 0.000 2.401 212 E HA -0.103 4.247 4.350 -0.000 0.000 0.199 212 E C 0.882 177.233 176.600 -0.415 0.000 1.023 212 E CA 0.805 56.981 56.400 -0.374 0.000 0.859 212 E CB -0.617 28.745 29.700 -0.563 0.000 0.780 212 E HN 0.763 nan 8.360 nan 0.000 0.523 213 F N 0.856 120.812 119.950 0.011 0.000 2.678 213 F HA 0.224 4.751 4.527 -0.000 0.000 0.305 213 F C 0.931 176.752 175.800 0.035 0.000 1.090 213 F CA -0.560 57.453 58.000 0.023 0.000 1.272 213 F CB 1.115 40.121 39.000 0.010 0.000 1.060 213 F HN -0.129 nan 8.300 nan 0.000 0.576 214 S N -0.091 115.695 115.700 0.144 0.000 2.480 214 S HA 0.497 4.967 4.470 -0.000 0.000 0.286 214 S C 0.780 175.431 174.600 0.086 0.000 1.180 214 S CA 0.233 58.499 58.200 0.110 0.000 1.075 214 S CB 0.898 64.142 63.200 0.073 0.000 0.996 214 S HN 0.622 nan 8.310 nan 0.000 0.487 215 G N 4.250 113.109 108.800 0.100 0.000 2.160 215 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.251 215 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.251 215 G C 0.130 175.089 174.900 0.098 0.000 1.008 215 G CA 0.170 45.321 45.100 0.085 0.000 0.724 215 G HN 0.737 nan 8.290 nan 0.000 0.514 216 I N -0.038 120.629 120.570 0.161 0.000 2.692 216 I HA 0.339 4.509 4.170 -0.000 0.000 0.284 216 I C 0.724 176.953 176.117 0.187 0.000 1.159 216 I CA 0.099 61.513 61.300 0.189 0.000 1.423 216 I CB 1.040 39.207 38.000 0.278 0.000 1.380 216 I HN -0.052 nan 8.210 nan 0.000 0.580 217 V N 6.415 126.328 119.914 -0.002 0.000 3.049 217 V HA 0.319 4.439 4.120 -0.000 0.000 0.309 217 V C -2.366 173.477 176.094 -0.419 0.000 1.148 217 V CA -1.759 60.312 62.300 -0.381 0.000 0.990 217 V CB 2.097 33.758 31.823 -0.270 0.000 1.039 217 V HN 0.584 nan 8.190 nan 0.000 0.430 218 P HA 0.074 nan 4.420 nan 0.000 0.263 218 P C -0.349 176.872 177.300 -0.132 0.000 1.168 218 P CA 0.536 63.366 63.100 -0.449 0.000 0.759 218 P CB 0.270 31.613 31.700 -0.595 0.000 0.782 219 A N 3.955 126.783 122.820 0.013 0.000 2.346 219 A HA 0.356 4.676 4.320 -0.000 0.000 0.252 219 A C 0.198 177.726 177.584 -0.094 0.000 1.089 219 A CA 0.118 52.139 52.037 -0.028 0.000 0.797 219 A CB 0.220 19.201 19.000 -0.032 0.000 1.047 219 A HN 0.343 nan 8.150 nan 0.000 0.494 220 K N 0.273 120.590 120.400 -0.138 0.000 2.259 220 K HA 0.574 4.894 4.320 -0.000 0.000 0.252 220 K C 0.163 176.618 176.600 -0.242 0.000 0.936 220 K CA 0.011 56.211 56.287 -0.145 0.000 0.810 220 K CB 1.444 33.902 32.500 -0.070 0.000 1.143 220 K HN 1.567 nan 8.250 nan 0.000 0.427 221 A N 2.486 125.152 122.820 -0.258 0.000 2.253 221 A HA -0.160 4.160 4.320 -0.000 0.000 0.278 221 A C -2.072 175.343 177.584 -0.281 0.000 1.381 221 A CA -0.112 51.786 52.037 -0.231 0.000 0.771 221 A CB -1.932 17.011 19.000 -0.095 0.000 1.092 221 A HN 0.397 nan 8.150 nan 0.000 0.360 222 P HA 0.220 nan 4.420 nan 0.000 0.269 222 P C 0.164 177.364 177.300 -0.167 0.000 1.215 222 P CA 0.089 63.005 63.100 -0.308 0.000 0.780 222 P CB 0.451 31.867 31.700 -0.474 0.000 0.898 223 R N 2.675 123.143 120.500 -0.053 0.000 2.198 223 R HA 0.464 4.804 4.340 -0.000 0.000 0.339 223 R C -0.199 176.106 176.300 0.010 0.000 1.020 223 R CA -0.381 55.710 56.100 -0.015 0.000 0.864 223 R CB 0.281 30.588 30.300 0.012 0.000 1.105 223 R HN 0.481 nan 8.270 nan 0.000 0.463 224 I N 0.996 121.565 120.570 -0.003 0.000 2.493 224 I HA 0.403 4.573 4.170 -0.000 0.000 0.298 224 I C 0.588 176.704 176.117 -0.002 0.000 0.998 224 I CA -0.813 60.490 61.300 0.005 0.000 1.137 224 I CB 2.263 40.267 38.000 0.006 0.000 1.310 224 I HN 0.605 nan 8.210 nan 0.000 0.445 225 G N 5.074 113.867 108.800 -0.012 0.000 2.533 225 G HA2 0.541 4.500 3.960 -0.000 0.000 0.310 225 G HA3 0.541 4.500 3.960 -0.000 0.000 0.310 225 G C -0.799 174.071 174.900 -0.049 0.000 1.266 225 G CA -0.348 44.733 45.100 -0.032 0.000 0.967 225 G HN 0.327 nan 8.290 nan 0.000 0.493 226 V N 3.064 122.947 119.914 -0.050 0.000 2.455 226 V HA 0.396 4.515 4.120 -0.000 0.000 0.273 226 V C 0.524 176.575 176.094 -0.071 0.000 1.045 226 V CA -0.401 61.851 62.300 -0.080 0.000 0.976 226 V CB 1.029 32.802 31.823 -0.084 0.000 0.993 226 V HN 0.746 nan 8.190 nan 0.000 0.475 227 V N 3.654 123.517 119.914 -0.086 0.000 2.487 227 V HA 0.588 4.707 4.120 -0.000 0.000 0.298 227 V C 0.459 176.483 176.094 -0.116 0.000 1.028 227 V CA -0.709 61.577 62.300 -0.025 0.000 0.860 227 V CB 1.565 33.458 31.823 0.116 0.000 0.991 227 V HN 0.745 nan 8.190 nan 0.000 0.427 228 R N 1.724 122.153 120.500 -0.119 0.000 2.334 228 R HA 0.259 4.599 4.340 -0.000 0.000 0.216 228 R C 0.146 176.400 176.300 -0.077 0.000 0.905 228 R CA 0.147 56.155 56.100 -0.154 0.000 1.064 228 R CB 0.080 30.351 30.300 -0.049 0.000 1.046 228 R HN 0.953 nan 8.270 nan 0.000 0.508 229 Q N 0.387 120.041 119.800 -0.243 0.000 2.452 229 Q HA -0.225 4.115 4.340 -0.000 0.000 0.318 229 Q C -0.125 175.196 176.000 -1.132 0.000 1.386 229 Q CA 0.481 55.694 55.803 -0.982 0.000 0.872 229 Q CB -0.938 27.436 28.738 -0.606 0.000 1.151 229 Q HN 0.299 nan 8.270 nan 0.000 0.417 230 E N -0.128 119.676 120.200 -0.659 0.000 2.171 230 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 230 E C 1.241 177.525 176.600 -0.527 0.000 0.997 230 E CA 1.925 58.084 56.400 -0.401 0.000 0.810 230 E CB -0.377 29.221 29.700 -0.171 0.000 0.738 230 E HN 0.783 nan 8.360 nan 0.000 0.467 231 F N -0.454 119.191 119.950 -0.510 0.000 2.250 231 F HA -0.058 4.469 4.527 0.001 0.000 0.301 231 F C 2.025 177.270 175.800 -0.924 0.000 1.077 231 F CA 0.804 58.397 58.000 -0.678 0.000 1.348 231 F CB -0.792 37.675 39.000 -0.888 0.000 1.040 231 F HN 0.004 nan 8.300 nan 0.000 0.509 232 A N 0.339 122.435 122.820 -1.208 0.000 2.208 232 A HA 0.521 4.841 4.320 -0.000 0.000 0.209 232 A C 1.432 178.777 177.584 -0.398 0.000 1.161 232 A CA 0.603 52.088 52.037 -0.920 0.000 0.782 232 A CB -1.200 17.158 19.000 -1.070 0.000 0.816 232 A HN 1.025 nan 8.150 nan 0.000 0.477 233 G N -1.938 106.699 108.800 -0.271 0.000 2.661 233 G HA2 0.398 4.357 3.960 -0.000 0.000 0.685 233 G HA3 0.398 4.357 3.960 -0.000 0.000 0.685 233 G C -0.009 174.905 174.900 0.024 0.000 1.298 233 G CA -0.438 44.612 45.100 -0.083 0.000 0.855 233 G HN 1.556 nan 8.290 nan 0.000 0.560 234 A N -0.640 122.191 122.820 0.019 0.000 2.407 234 A HA 0.731 5.051 4.320 -0.000 0.000 0.248 234 A C 0.915 178.494 177.584 -0.009 0.000 1.082 234 A CA 0.586 52.624 52.037 0.002 0.000 0.785 234 A CB 1.244 20.233 19.000 -0.018 0.000 1.020 234 A HN 2.189 nan 8.150 nan 0.000 0.489 235 V N 1.172 120.964 119.914 -0.203 0.000 3.134 235 V HA 0.258 4.377 4.120 -0.000 0.000 0.313 235 V C 0.513 176.459 176.094 -0.247 0.000 1.069 235 V CA -0.551 61.509 62.300 -0.399 0.000 1.048 235 V CB 1.441 32.577 31.823 -1.145 0.000 1.119 235 V HN 1.043 nan 8.190 nan 0.000 0.461 236 E N 3.652 123.723 120.200 -0.214 0.000 2.373 236 E HA 0.191 4.541 4.350 -0.000 0.000 0.263 236 E C -1.769 174.751 176.600 -0.135 0.000 1.073 236 E CA -1.188 55.138 56.400 -0.124 0.000 0.894 236 E CB 0.966 30.620 29.700 -0.076 0.000 1.008 236 E HN 0.487 nan 8.360 nan 0.000 0.420 237 P HA -0.345 nan 4.420 nan 0.000 0.219 237 P C 0.948 178.211 177.300 -0.060 0.000 1.161 237 P CA 2.197 65.260 63.100 -0.062 0.000 0.909 237 P CB 0.094 31.770 31.700 -0.041 0.000 0.793 238 A N -0.465 122.320 122.820 -0.059 0.000 1.917 238 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 238 A C 2.344 179.898 177.584 -0.050 0.000 1.182 238 A CA 2.548 54.555 52.037 -0.050 0.000 0.633 238 A CB -1.678 17.291 19.000 -0.051 0.000 0.819 238 A HN 0.235 nan 8.150 nan 0.000 0.448 239 A N -0.576 122.189 122.820 -0.092 0.000 1.933 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 239 A C 1.984 179.556 177.584 -0.020 0.000 1.175 239 A CA 2.126 54.097 52.037 -0.110 0.000 0.628 239 A CB -0.413 18.389 19.000 -0.330 0.000 0.814 239 A HN 0.569 nan 8.150 nan 0.000 0.444 240 E N 0.126 120.296 120.200 -0.049 0.000 2.107 240 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 240 E C 2.069 178.702 176.600 0.054 0.000 0.982 240 E CA 1.573 58.019 56.400 0.076 0.000 0.809 240 E CB -0.370 29.341 29.700 0.017 0.000 0.756 240 E HN 0.701 nan 8.360 nan 0.000 0.459 241 Q N -0.539 119.267 119.800 0.011 0.000 2.084 241 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 241 Q C 2.179 178.184 176.000 0.009 0.000 0.978 241 Q CA 1.405 57.210 55.803 0.003 0.000 0.844 241 Q CB -0.350 28.381 28.738 -0.012 0.000 0.898 241 Q HN 0.451 nan 8.270 nan 0.000 0.426 242 G N 0.774 109.583 108.800 0.015 0.000 2.408 242 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 242 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 242 G C 1.358 176.272 174.900 0.023 0.000 1.150 242 G CA 0.504 45.612 45.100 0.014 0.000 0.776 242 G HN 0.229 nan 8.290 nan 0.000 0.542 243 L N 0.370 121.627 121.223 0.057 0.000 2.027 243 L HA 0.032 4.372 4.340 -0.000 0.000 0.206 243 L C 2.810 179.679 176.870 -0.002 0.000 1.074 243 L CA 2.002 56.855 54.840 0.022 0.000 0.745 243 L CB -0.809 41.272 42.059 0.037 0.000 0.898 243 L HN 0.278 nan 8.230 nan 0.000 0.433 244 Q N -0.743 119.065 119.800 0.015 0.000 2.135 244 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 244 Q C 2.179 178.177 176.000 -0.003 0.000 0.981 244 Q CA 1.767 57.572 55.803 0.003 0.000 0.856 244 Q CB -0.311 28.432 28.738 0.008 0.000 0.902 244 Q HN 0.721 nan 8.270 nan 0.000 0.425 245 A N 0.516 123.333 122.820 -0.004 0.000 1.930 245 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 245 A C 2.207 179.782 177.584 -0.015 0.000 1.175 245 A CA 1.396 53.426 52.037 -0.011 0.000 0.627 245 A CB -0.595 18.397 19.000 -0.013 0.000 0.815 245 A HN 0.410 nan 8.150 nan 0.000 0.443 246 A N 0.022 122.833 122.820 -0.015 0.000 1.898 246 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 246 A C 2.092 179.673 177.584 -0.006 0.000 1.181 246 A CA 1.383 53.408 52.037 -0.019 0.000 0.620 246 A CB -0.560 18.428 19.000 -0.020 0.000 0.819 246 A HN 0.479 nan 8.150 nan 0.000 0.442 247 I N -0.507 120.060 120.570 -0.006 0.000 2.179 247 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 247 I C 2.574 178.699 176.117 0.014 0.000 1.088 247 I CA 1.902 63.205 61.300 0.005 0.000 1.357 247 I CB -0.240 37.755 38.000 -0.008 0.000 1.051 247 I HN 0.372 nan 8.210 nan 0.000 0.409 248 K N 1.249 121.651 120.400 0.004 0.000 2.057 248 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 248 K C 2.195 178.796 176.600 0.002 0.000 1.050 248 K CA 1.422 57.711 56.287 0.004 0.000 0.935 248 K CB -0.078 32.420 32.500 -0.002 0.000 0.715 248 K HN 0.287 nan 8.250 nan 0.000 0.439 249 A N 0.952 123.765 122.820 -0.013 0.000 1.930 249 A HA -0.066 4.253 4.320 -0.000 0.000 0.217 249 A C 2.259 179.822 177.584 -0.034 0.000 1.175 249 A CA 1.713 53.727 52.037 -0.037 0.000 0.627 249 A CB -0.626 18.335 19.000 -0.065 0.000 0.815 249 A HN 0.474 nan 8.150 nan 0.000 0.443 250 A N -0.078 122.751 122.820 0.016 0.000 1.841 250 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 250 A C 1.902 179.597 177.584 0.185 0.000 1.195 250 A CA 1.584 53.707 52.037 0.144 0.000 0.611 250 A CB -0.651 18.476 19.000 0.210 0.000 0.835 250 A HN 0.585 nan 8.150 nan 0.000 0.443 251 E N -0.772 119.490 120.200 0.103 0.000 2.049 251 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 251 E C 2.269 178.913 176.600 0.073 0.000 1.007 251 E CA 1.490 57.937 56.400 0.078 0.000 0.809 251 E CB -0.204 29.521 29.700 0.042 0.000 0.749 251 E HN 0.508 nan 8.360 nan 0.000 0.450 252 R N -0.010 120.519 120.500 0.048 0.000 2.241 252 R HA -0.085 4.255 4.340 -0.000 0.000 0.224 252 R C 1.764 178.092 176.300 0.048 0.000 1.101 252 R CA 0.874 56.994 56.100 0.034 0.000 0.995 252 R CB 0.005 30.311 30.300 0.011 0.000 0.870 252 R HN 0.124 nan 8.270 nan 0.000 0.463 253 A N -1.089 121.782 122.820 0.086 0.000 2.195 253 A HA 0.240 4.560 4.320 -0.000 0.000 0.210 253 A C 1.279 179.000 177.584 0.227 0.000 1.165 253 A CA 0.758 52.872 52.037 0.128 0.000 0.806 253 A CB 0.319 19.342 19.000 0.039 0.000 0.847 253 A HN 0.447 nan 8.150 nan 0.000 0.482 254 G N -2.418 106.486 108.800 0.174 0.000 2.175 254 G HA2 0.221 4.180 3.960 -0.000 0.000 0.182 254 G HA3 0.221 4.180 3.960 -0.000 0.000 0.182 254 G C 0.262 175.202 174.900 0.066 0.000 1.003 254 G CA 0.042 45.208 45.100 0.110 0.000 0.666 254 G HN 1.407 nan 8.290 nan 0.000 0.506 255 A N 0.394 123.279 122.820 0.108 0.000 2.304 255 A HA 0.826 5.146 4.320 -0.000 0.000 0.301 255 A C 0.691 178.287 177.584 0.020 0.000 1.132 255 A CA 0.591 52.630 52.037 0.004 0.000 0.819 255 A CB 0.846 19.851 19.000 0.008 0.000 1.094 255 A HN 1.769 nan 8.150 nan 0.000 0.492 256 S N 1.019 116.713 115.700 -0.010 0.000 2.438 256 S HA 0.601 5.071 4.470 -0.000 0.000 0.293 256 S C -0.395 174.207 174.600 0.002 0.000 1.141 256 S CA -0.571 57.629 58.200 0.000 0.000 1.080 256 S CB 0.775 63.971 63.200 -0.007 0.000 0.978 256 S HN 0.689 nan 8.310 nan 0.000 0.479 257 V N 4.016 123.936 119.914 0.009 0.000 2.581 257 V HA 0.687 4.807 4.120 -0.000 0.000 0.303 257 V C -0.335 175.758 176.094 -0.002 0.000 1.041 257 V CA -0.752 61.551 62.300 0.005 0.000 0.907 257 V CB 1.375 33.204 31.823 0.010 0.000 0.994 257 V HN 1.041 nan 8.190 nan 0.000 0.442 258 Q N 2.735 122.530 119.800 -0.008 0.000 2.320 258 Q HA 0.803 5.143 4.340 -0.000 0.000 0.272 258 Q C -0.957 175.034 176.000 -0.016 0.000 1.023 258 Q CA -0.833 54.965 55.803 -0.009 0.000 0.855 258 Q CB 2.226 30.960 28.738 -0.007 0.000 1.367 258 Q HN 0.862 nan 8.270 nan 0.000 0.406 259 A N 3.706 126.518 122.820 -0.014 0.000 2.425 259 A HA 0.633 4.953 4.320 -0.000 0.000 0.249 259 A C -0.396 177.184 177.584 -0.007 0.000 1.084 259 A CA -0.158 51.869 52.037 -0.016 0.000 0.781 259 A CB 0.133 19.126 19.000 -0.012 0.000 1.019 259 A HN 0.686 nan 8.150 nan 0.000 0.490 260 I N 1.385 121.954 120.570 -0.002 0.000 2.686 260 I HA 0.271 4.440 4.170 -0.000 0.000 0.295 260 I C -0.983 175.159 176.117 0.043 0.000 1.114 260 I CA -0.821 60.486 61.300 0.010 0.000 1.038 260 I CB 2.362 40.358 38.000 -0.007 0.000 1.238 260 I HN 0.553 nan 8.210 nan 0.000 0.420 261 D N 5.296 125.730 120.400 0.058 0.000 2.210 261 D HA 0.493 5.133 4.640 -0.000 0.000 0.249 261 D C -0.492 175.892 176.300 0.139 0.000 1.062 261 D CA -0.230 53.839 54.000 0.115 0.000 0.891 261 D CB 2.203 43.060 40.800 0.094 0.000 1.186 261 D HN 0.234 nan 8.370 nan 0.000 0.432 262 L N 2.851 124.239 121.223 0.275 0.000 2.334 262 L HA 0.299 4.639 4.340 -0.000 0.000 0.277 262 L C -2.095 174.835 176.870 0.100 0.000 1.075 262 L CA -1.793 53.192 54.840 0.241 0.000 0.804 262 L CB 0.978 43.246 42.059 0.348 0.000 1.174 262 L HN 0.047 nan 8.230 nan 0.000 0.438 263 P HA -0.108 nan 4.420 nan 0.000 0.264 263 P C 0.340 177.440 177.300 -0.334 0.000 1.179 263 P CA 0.176 63.195 63.100 -0.134 0.000 0.763 263 P CB 0.581 32.237 31.700 -0.073 0.000 0.806 264 E N 3.935 123.886 120.200 -0.415 0.000 2.219 264 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 264 E C 1.758 178.189 176.600 -0.282 0.000 0.998 264 E CA 2.063 58.155 56.400 -0.514 0.000 0.818 264 E CB -0.810 28.718 29.700 -0.287 0.000 0.741 264 E HN 0.447 nan 8.360 nan 0.000 0.477 265 A N -0.190 122.522 122.820 -0.179 0.000 1.969 265 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 265 A C 2.451 179.970 177.584 -0.107 0.000 1.169 265 A CA 1.450 53.418 52.037 -0.114 0.000 0.635 265 A CB -0.482 18.468 19.000 -0.084 0.000 0.810 265 A HN 0.203 nan 8.150 nan 0.000 0.445 266 V N -0.397 119.450 119.914 -0.112 0.000 2.453 266 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 266 V C 2.224 178.195 176.094 -0.205 0.000 1.048 266 V CA 1.945 64.173 62.300 -0.120 0.000 1.049 266 V CB -1.157 30.625 31.823 -0.068 0.000 0.672 266 V HN 0.713 nan 8.190 nan 0.000 0.457 267 H N -0.274 118.533 119.070 -0.438 0.000 2.319 267 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 267 H C 2.436 177.581 175.328 -0.304 0.000 1.092 267 H CA 1.371 57.023 56.048 -0.660 0.000 1.302 267 H CB 0.136 29.668 29.762 -0.384 0.000 1.373 267 H HN 0.363 nan 8.280 nan 0.000 0.497 268 E N 0.813 120.996 120.200 -0.028 0.000 2.160 268 E HA -0.130 4.219 4.350 -0.000 0.000 0.195 268 E C 2.430 179.016 176.600 -0.024 0.000 0.991 268 E CA 0.815 57.211 56.400 -0.007 0.000 0.810 268 E CB -0.228 29.451 29.700 -0.035 0.000 0.742 268 E HN 0.465 nan 8.360 nan 0.000 0.466 269 A N 0.488 123.267 122.820 -0.068 0.000 1.877 269 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 269 A C 2.071 179.625 177.584 -0.050 0.000 1.186 269 A CA 1.454 53.443 52.037 -0.080 0.000 0.620 269 A CB -1.159 17.775 19.000 -0.110 0.000 0.822 269 A HN 0.466 nan 8.150 nan 0.000 0.443 270 W N 0.645 121.770 121.300 -0.290 0.000 2.335 270 W HA -0.230 4.430 4.660 -0.001 0.000 0.311 270 W C 2.391 178.840 176.519 -0.117 0.000 1.213 270 W CA 2.231 59.422 57.345 -0.257 0.000 1.274 270 W CB -0.207 28.994 29.460 -0.431 0.000 1.148 270 W HN 0.295 nan 8.180 nan 0.000 0.498 271 R N 0.596 121.187 120.500 0.152 0.000 2.091 271 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 271 R C 1.985 178.186 176.300 -0.165 0.000 1.136 271 R CA 2.462 58.552 56.100 -0.016 0.000 0.959 271 R CB -0.762 29.650 30.300 0.187 0.000 0.856 271 R HN 0.438 nan 8.270 nan 0.000 0.437 272 I N -1.628 118.881 120.570 -0.102 0.000 3.684 272 I HA -0.027 4.143 4.170 -0.000 0.000 0.304 272 I C 1.994 178.042 176.117 -0.114 0.000 1.278 272 I CA 0.725 61.963 61.300 -0.103 0.000 1.272 272 I CB -0.734 37.212 38.000 -0.091 0.000 1.029 272 I HN 0.142 nan 8.210 nan 0.000 0.458 273 H N 2.995 121.916 119.070 -0.249 0.000 2.321 273 H HA -0.101 4.455 4.556 -0.000 0.000 0.295 273 H C -0.671 174.550 175.328 -0.178 0.000 1.102 273 H CA 2.632 58.540 56.048 -0.233 0.000 1.266 273 H CB -1.200 28.366 29.762 -0.326 0.000 1.363 273 H HN 0.226 nan 8.280 nan 0.000 0.492 274 P HA -0.137 nan 4.420 nan 0.000 0.218 274 P C 1.874 179.148 177.300 -0.043 0.000 1.148 274 P CA 1.051 64.135 63.100 -0.027 0.000 0.822 274 P CB -0.015 31.645 31.700 -0.067 0.000 0.784 275 I N -1.138 119.400 120.570 -0.053 0.000 2.202 275 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 275 I C 2.340 178.486 176.117 0.048 0.000 1.091 275 I CA 1.463 62.761 61.300 -0.003 0.000 1.368 275 I CB -1.330 36.655 38.000 -0.025 0.000 1.058 275 I HN -0.030 nan 8.210 nan 0.000 0.410 276 I N 0.454 121.015 120.570 -0.016 0.000 2.142 276 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 276 I C 2.772 178.850 176.117 -0.064 0.000 1.078 276 I CA 1.461 62.785 61.300 0.039 0.000 1.343 276 I CB -0.473 37.452 38.000 -0.125 0.000 1.046 276 I HN 0.339 nan 8.210 nan 0.000 0.405 277 Q N 1.037 120.729 119.800 -0.179 0.000 2.002 277 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 277 Q C 1.804 177.775 176.000 -0.047 0.000 0.988 277 Q CA 2.334 58.068 55.803 -0.116 0.000 0.843 277 Q CB -0.005 28.675 28.738 -0.096 0.000 0.908 277 Q HN 0.436 nan 8.270 nan 0.000 0.420 278 D N -0.238 120.159 120.400 -0.004 0.000 2.144 278 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 278 D C 1.582 177.848 176.300 -0.058 0.000 0.984 278 D CA 0.819 54.807 54.000 -0.019 0.000 0.834 278 D CB -0.412 40.411 40.800 0.038 0.000 0.955 278 D HN 0.267 nan 8.370 nan 0.000 0.465 279 F N 1.931 121.776 119.950 -0.175 0.000 2.102 279 F HA -0.133 4.395 4.527 0.001 0.000 0.298 279 F C 2.124 177.697 175.800 -0.378 0.000 1.105 279 F CA 1.432 59.275 58.000 -0.262 0.000 1.239 279 F CB 0.006 38.791 39.000 -0.357 0.000 0.991 279 F HN -0.104 nan 8.300 nan 0.000 0.474 280 E N 0.200 120.129 120.200 -0.450 0.000 2.106 280 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 280 E C 2.394 178.676 176.600 -0.531 0.000 0.984 280 E CA 0.853 56.831 56.400 -0.703 0.000 0.806 280 E CB -0.482 28.585 29.700 -1.055 0.000 0.750 280 E HN 0.485 nan 8.360 nan 0.000 0.458 281 A N 1.835 124.330 122.820 -0.542 0.000 1.917 281 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 281 A C 1.922 179.160 177.584 -0.577 0.000 1.182 281 A CA 1.575 53.172 52.037 -0.735 0.000 0.633 281 A CB -0.825 17.582 19.000 -0.988 0.000 0.819 281 A HN 0.296 nan 8.150 nan 0.000 0.448 282 H N -0.751 118.006 119.070 -0.522 0.000 2.456 282 H HA -0.043 4.512 4.556 -0.000 0.000 0.296 282 H C 2.102 177.207 175.328 -0.373 0.000 1.079 282 H CA 1.588 57.331 56.048 -0.509 0.000 1.322 282 H CB 0.150 29.564 29.762 -0.580 0.000 1.388 282 H HN 0.344 nan 8.280 nan 0.000 0.538 283 R N 0.114 120.484 120.500 -0.216 0.000 2.112 283 R HA 0.137 4.477 4.340 -0.000 0.000 0.216 283 R C 2.342 178.659 176.300 0.028 0.000 1.080 283 R CA 0.822 56.885 56.100 -0.062 0.000 0.996 283 R CB -0.828 29.515 30.300 0.071 0.000 0.902 283 R HN 0.206 nan 8.270 nan 0.000 0.449 284 A N 1.011 123.854 122.820 0.039 0.000 1.969 284 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 284 A C 1.701 179.263 177.584 -0.037 0.000 1.169 284 A CA 0.960 53.034 52.037 0.061 0.000 0.635 284 A CB -0.218 18.815 19.000 0.055 0.000 0.810 284 A HN 0.196 nan 8.150 nan 0.000 0.445 285 L N -1.089 120.048 121.223 -0.143 0.000 3.017 285 L HA 0.277 4.617 4.340 -0.000 0.000 0.255 285 L C 2.102 178.952 176.870 -0.032 0.000 1.247 285 L CA 0.187 54.937 54.840 -0.151 0.000 1.038 285 L CB 0.099 41.953 42.059 -0.343 0.000 1.380 285 L HN 0.334 nan 8.230 nan 0.000 0.548 286 A N 0.611 123.448 122.820 0.028 0.000 1.892 286 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 286 A C 1.930 179.616 177.584 0.171 0.000 1.188 286 A CA 1.973 54.070 52.037 0.100 0.000 0.631 286 A CB -0.750 18.298 19.000 0.080 0.000 0.822 286 A HN 0.719 nan 8.150 nan 0.000 0.447 287 W N 0.955 122.266 121.300 0.019 0.000 2.335 287 W HA -0.187 4.473 4.660 -0.001 0.000 0.311 287 W C 1.874 178.432 176.519 0.065 0.000 1.213 287 W CA 2.180 59.544 57.345 0.033 0.000 1.274 287 W CB -0.243 29.232 29.460 0.025 0.000 1.148 287 W HN 0.419 nan 8.180 nan 0.000 0.498 288 E N -0.426 119.828 120.200 0.090 0.000 2.051 288 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 288 E C 1.958 178.476 176.600 -0.136 0.000 0.991 288 E CA 1.912 58.234 56.400 -0.130 0.000 0.799 288 E CB -1.104 28.516 29.700 -0.132 0.000 0.748 288 E HN 0.335 nan 8.360 nan 0.000 0.449 289 F N 0.760 120.601 119.950 -0.183 0.000 2.186 289 F HA -0.162 4.365 4.527 0.000 0.000 0.299 289 F C 2.115 177.876 175.800 -0.064 0.000 1.090 289 F CA 1.297 59.228 58.000 -0.116 0.000 1.307 289 F CB -0.076 38.875 39.000 -0.081 0.000 1.019 289 F HN -0.102 nan 8.300 nan 0.000 0.489 290 S N -0.385 115.275 115.700 -0.067 0.000 2.388 290 S HA -0.071 4.399 4.470 -0.000 0.000 0.223 290 S C 1.725 176.125 174.600 -0.333 0.000 1.034 290 S CA 1.051 59.150 58.200 -0.169 0.000 0.963 290 S CB -0.150 63.015 63.200 -0.058 0.000 0.827 290 S HN 0.386 nan 8.310 nan 0.000 0.481 291 E N 0.448 120.330 120.200 -0.531 0.000 2.340 291 E HA 0.080 4.430 4.350 -0.000 0.000 0.194 291 E C 0.113 176.060 176.600 -1.089 0.000 0.996 291 E CA 0.650 56.553 56.400 -0.829 0.000 0.869 291 E CB 0.107 29.090 29.700 -1.195 0.000 0.835 291 E HN 0.563 nan 8.360 nan 0.000 0.493 292 H N -0.463 118.323 119.070 -0.473 0.000 2.790 292 H HA 0.097 4.653 4.556 -0.000 0.000 0.232 292 H C 1.173 176.375 175.328 -0.211 0.000 1.313 292 H CA -0.218 55.636 56.048 -0.324 0.000 1.011 292 H CB 0.124 29.657 29.762 -0.381 0.000 2.105 292 H HN 0.190 nan 8.280 nan 0.000 0.580 293 H N 2.019 120.924 119.070 -0.275 0.000 2.252 293 H HA -0.146 4.409 4.556 -0.001 0.000 0.292 293 H C 0.582 175.822 175.328 -0.146 0.000 1.082 293 H CA 2.073 57.940 56.048 -0.301 0.000 1.229 293 H CB 0.360 29.841 29.762 -0.467 0.000 1.353 293 H HN 0.346 nan 8.280 nan 0.000 0.488 294 D N 0.441 120.899 120.400 0.096 0.000 2.309 294 D HA -0.096 4.544 4.640 -0.000 0.000 0.212 294 D C 1.787 178.099 176.300 0.020 0.000 0.968 294 D CA 0.692 54.737 54.000 0.076 0.000 0.882 294 D CB -0.272 40.571 40.800 0.072 0.000 0.918 294 D HN 0.631 nan 8.370 nan 0.000 0.503 295 E N -0.084 120.131 120.200 0.024 0.000 2.478 295 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 295 E C 0.578 177.225 176.600 0.078 0.000 1.045 295 E CA -0.118 56.314 56.400 0.053 0.000 0.868 295 E CB 0.523 30.267 29.700 0.072 0.000 0.885 295 E HN 0.287 nan 8.360 nan 0.000 0.505 296 I N 1.872 122.467 120.570 0.041 0.000 2.529 296 I HA 0.057 4.226 4.170 -0.000 0.000 0.284 296 I C 0.602 176.770 176.117 0.085 0.000 1.082 296 I CA -0.714 60.650 61.300 0.107 0.000 1.406 296 I CB 0.771 38.774 38.000 0.004 0.000 1.405 296 I HN -0.001 nan 8.210 nan 0.000 0.548 297 A N 8.285 131.188 122.820 0.139 0.000 2.587 297 A HA 0.077 4.397 4.320 -0.000 0.000 0.235 297 A C -1.436 176.187 177.584 0.065 0.000 1.044 297 A CA -0.704 51.386 52.037 0.089 0.000 0.754 297 A CB -0.416 18.640 19.000 0.093 0.000 0.968 297 A HN 0.606 nan 8.150 nan 0.000 0.509 298 P HA -0.275 nan 4.420 nan 0.000 0.218 298 P C 1.625 178.952 177.300 0.045 0.000 1.165 298 P CA 2.226 65.349 63.100 0.038 0.000 0.922 298 P CB -0.098 31.624 31.700 0.036 0.000 0.794 299 M N -2.325 117.306 119.600 0.051 0.000 2.086 299 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 299 M C 2.132 178.471 176.300 0.065 0.000 1.067 299 M CA 1.520 56.853 55.300 0.054 0.000 1.116 299 M CB -0.996 31.635 32.600 0.051 0.000 1.348 299 M HN -0.045 nan 8.290 nan 0.000 0.407 300 L N 0.519 121.792 121.223 0.083 0.000 2.083 300 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 300 L C 2.458 179.366 176.870 0.064 0.000 1.083 300 L CA 1.839 56.741 54.840 0.103 0.000 0.752 300 L CB -0.762 41.399 42.059 0.170 0.000 0.899 300 L HN 0.193 nan 8.230 nan 0.000 0.433 301 R N -0.564 119.960 120.500 0.040 0.000 2.091 301 R HA -0.164 4.175 4.340 -0.000 0.000 0.238 301 R C 2.113 178.450 176.300 0.060 0.000 1.136 301 R CA 1.416 57.510 56.100 -0.011 0.000 0.959 301 R CB -0.331 29.916 30.300 -0.089 0.000 0.856 301 R HN 0.532 nan 8.270 nan 0.000 0.437 302 A N 0.488 123.348 122.820 0.066 0.000 1.873 302 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 302 A C 2.178 179.813 177.584 0.085 0.000 1.186 302 A CA 1.919 54.006 52.037 0.083 0.000 0.616 302 A CB -0.699 18.340 19.000 0.065 0.000 0.823 302 A HN 0.595 nan 8.150 nan 0.000 0.442 303 S N -0.073 115.666 115.700 0.066 0.000 2.399 303 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 303 S C 1.874 176.497 174.600 0.039 0.000 1.022 303 S CA 1.414 59.647 58.200 0.056 0.000 0.983 303 S CB -0.632 62.602 63.200 0.058 0.000 0.803 303 S HN 0.431 nan 8.310 nan 0.000 0.480 304 L N 1.308 122.533 121.223 0.004 0.000 2.044 304 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 304 L C 2.383 179.323 176.870 0.118 0.000 1.075 304 L CA 1.475 56.233 54.840 -0.137 0.000 0.747 304 L CB -0.669 41.214 42.059 -0.294 0.000 0.903 304 L HN 0.210 nan 8.230 nan 0.000 0.435 305 D N 0.331 120.893 120.400 0.270 0.000 2.221 305 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 305 D C 1.983 178.403 176.300 0.201 0.000 0.982 305 D CA 1.401 55.612 54.000 0.352 0.000 0.857 305 D CB 0.058 41.054 40.800 0.326 0.000 0.934 305 D HN 0.318 nan 8.370 nan 0.000 0.475 306 A N -0.148 122.756 122.820 0.140 0.000 2.218 306 A HA 0.036 4.356 4.320 -0.000 0.000 0.209 306 A C 1.746 179.376 177.584 0.076 0.000 1.168 306 A CA 1.261 53.354 52.037 0.093 0.000 0.804 306 A CB -0.092 18.952 19.000 0.073 0.000 0.834 306 A HN 0.272 nan 8.150 nan 0.000 0.482 307 T N -4.330 110.287 114.554 0.105 0.000 3.145 307 T HA 0.224 4.574 4.350 -0.000 0.000 0.281 307 T C 1.134 175.803 174.700 -0.053 0.000 1.003 307 T CA 0.572 62.717 62.100 0.074 0.000 0.901 307 T CB 0.032 68.965 68.868 0.108 0.000 1.112 307 T HN -0.065 nan 8.240 nan 0.000 0.535 308 V N 1.798 121.634 119.914 -0.130 0.000 2.469 308 V HA -0.043 4.077 4.120 -0.000 0.000 0.251 308 V C 2.800 178.701 176.094 -0.321 0.000 1.064 308 V CA 2.275 64.276 62.300 -0.497 0.000 1.066 308 V CB -1.050 30.669 31.823 -0.173 0.000 0.667 308 V HN 0.719 nan 8.190 nan 0.000 0.461 309 G N -0.759 107.963 108.800 -0.129 0.000 2.650 309 G HA2 0.035 3.995 3.960 -0.000 0.000 0.214 309 G HA3 0.035 3.995 3.960 -0.000 0.000 0.214 309 G C 0.659 175.548 174.900 -0.018 0.000 1.136 309 G CA -0.307 44.756 45.100 -0.062 0.000 0.789 309 G HN 0.439 nan 8.290 nan 0.000 0.536 310 L N 1.967 123.194 121.223 0.006 0.000 2.559 310 L HA 0.144 4.484 4.340 -0.000 0.000 0.282 310 L C 1.275 178.254 176.870 0.182 0.000 1.232 310 L CA 0.126 55.029 54.840 0.105 0.000 0.885 310 L CB 0.389 42.581 42.059 0.220 0.000 1.131 310 L HN 0.198 nan 8.230 nan 0.000 0.498 311 T N -0.350 114.241 114.554 0.062 0.000 2.952 311 T HA 0.401 4.751 4.350 -0.000 0.000 0.286 311 T C -2.026 172.560 174.700 -0.189 0.000 1.024 311 T CA -2.001 60.123 62.100 0.040 0.000 1.029 311 T CB 2.009 70.876 68.868 -0.002 0.000 1.094 311 T HN 0.265 nan 8.240 nan 0.000 0.515 312 P HA -0.007 nan 4.420 nan 0.000 0.217 312 P C 1.498 178.723 177.300 -0.125 0.000 1.150 312 P CA 0.895 63.918 63.100 -0.127 0.000 0.832 312 P CB 0.120 31.877 31.700 0.094 0.000 0.787 313 K N 0.812 121.162 120.400 -0.082 0.000 1.985 313 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 313 K C 2.102 178.633 176.600 -0.113 0.000 1.047 313 K CA 1.989 58.230 56.287 -0.077 0.000 0.932 313 K CB -0.334 32.137 32.500 -0.048 0.000 0.716 313 K HN 0.162 nan 8.250 nan 0.000 0.439 314 E N -0.578 119.551 120.200 -0.118 0.000 2.150 314 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 314 E C 2.065 178.569 176.600 -0.161 0.000 0.985 314 E CA 0.952 57.281 56.400 -0.118 0.000 0.814 314 E CB -0.621 29.028 29.700 -0.084 0.000 0.752 314 E HN 0.445 nan 8.360 nan 0.000 0.466 315 Y N 3.047 123.083 120.300 -0.440 0.000 2.070 315 Y HA -0.237 4.313 4.550 0.000 0.000 0.280 315 Y C 1.767 177.472 175.900 -0.325 0.000 1.148 315 Y CA 2.164 59.928 58.100 -0.561 0.000 1.125 315 Y CB -0.469 37.235 38.460 -1.260 0.000 0.975 315 Y HN -0.051 nan 8.280 nan 0.000 0.492 316 D N -0.069 120.057 120.400 -0.455 0.000 2.149 316 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 316 D C 2.021 178.136 176.300 -0.308 0.000 0.990 316 D CA 1.711 55.451 54.000 -0.434 0.000 0.839 316 D CB -0.325 40.348 40.800 -0.213 0.000 0.948 316 D HN 0.431 nan 8.370 nan 0.000 0.460 317 E N 1.055 121.123 120.200 -0.219 0.000 2.110 317 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 317 E C 1.851 178.349 176.600 -0.171 0.000 0.988 317 E CA 1.307 57.611 56.400 -0.159 0.000 0.804 317 E CB -0.293 29.337 29.700 -0.116 0.000 0.745 317 E HN 0.195 nan 8.360 nan 0.000 0.458 318 A N 0.494 123.190 122.820 -0.207 0.000 1.929 318 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 318 A C 2.174 179.626 177.584 -0.220 0.000 1.176 318 A CA 1.258 53.184 52.037 -0.185 0.000 0.628 318 A CB -0.329 18.575 19.000 -0.161 0.000 0.816 318 A HN 0.164 nan 8.150 nan 0.000 0.444 319 R N -0.805 119.501 120.500 -0.323 0.000 2.092 319 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 319 R C 2.457 178.638 176.300 -0.200 0.000 1.119 319 R CA 1.336 57.257 56.100 -0.298 0.000 0.970 319 R CB -0.303 29.746 30.300 -0.419 0.000 0.864 319 R HN 0.571 nan 8.270 nan 0.000 0.440 320 R N 1.225 121.616 120.500 -0.181 0.000 2.075 320 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 320 R C 2.144 178.379 176.300 -0.109 0.000 1.126 320 R CA 1.273 57.297 56.100 -0.127 0.000 0.963 320 R CB -0.175 30.058 30.300 -0.112 0.000 0.858 320 R HN 0.166 nan 8.270 nan 0.000 0.435 321 I N 0.225 120.727 120.570 -0.115 0.000 2.286 321 I HA -0.161 4.008 4.170 -0.000 0.000 0.248 321 I C 2.430 178.488 176.117 -0.099 0.000 1.115 321 I CA 1.380 62.622 61.300 -0.097 0.000 1.392 321 I CB -0.544 37.401 38.000 -0.092 0.000 1.065 321 I HN 0.405 nan 8.210 nan 0.000 0.418 322 G N 0.690 109.419 108.800 -0.118 0.000 2.402 322 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 322 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 322 G C 1.815 176.652 174.900 -0.106 0.000 1.162 322 G CA 0.278 45.307 45.100 -0.119 0.000 0.777 322 G HN 0.278 nan 8.290 nan 0.000 0.539 323 R N -0.172 120.266 120.500 -0.102 0.000 2.096 323 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 323 R C 2.627 178.889 176.300 -0.064 0.000 1.127 323 R CA 1.202 57.252 56.100 -0.083 0.000 0.968 323 R CB -0.275 29.980 30.300 -0.075 0.000 0.861 323 R HN 0.296 nan 8.270 nan 0.000 0.440 324 R N 0.476 120.938 120.500 -0.064 0.000 2.081 324 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 324 R C 2.269 178.540 176.300 -0.048 0.000 1.131 324 R CA 1.668 57.737 56.100 -0.052 0.000 0.960 324 R CB -0.513 29.753 30.300 -0.056 0.000 0.856 324 R HN 0.292 nan 8.270 nan 0.000 0.436 325 G N 0.424 109.188 108.800 -0.060 0.000 2.422 325 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 325 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 325 G C 1.333 176.217 174.900 -0.026 0.000 1.146 325 G CA 0.611 45.678 45.100 -0.056 0.000 0.769 325 G HN 0.302 nan 8.290 nan 0.000 0.547 326 R N -0.080 120.401 120.500 -0.032 0.000 2.073 326 R HA -0.002 4.338 4.340 -0.000 0.000 0.234 326 R C 2.800 179.114 176.300 0.025 0.000 1.134 326 R CA 1.089 57.184 56.100 -0.008 0.000 0.952 326 R CB -0.330 29.934 30.300 -0.061 0.000 0.850 326 R HN 0.275 nan 8.270 nan 0.000 0.433 327 R N 0.942 121.445 120.500 0.005 0.000 2.088 327 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 327 R C 2.195 178.517 176.300 0.037 0.000 1.136 327 R CA 1.745 57.858 56.100 0.021 0.000 0.926 327 R CB -0.328 29.974 30.300 0.003 0.000 0.837 327 R HN 0.365 nan 8.270 nan 0.000 0.429 328 E N 0.545 120.755 120.200 0.016 0.000 2.209 328 E HA -0.205 4.144 4.350 -0.000 0.000 0.196 328 E C 1.923 178.545 176.600 0.036 0.000 0.993 328 E CA 0.749 57.157 56.400 0.014 0.000 0.819 328 E CB -0.093 29.598 29.700 -0.015 0.000 0.745 328 E HN 0.115 nan 8.360 nan 0.000 0.477 329 L N 0.492 121.753 121.223 0.062 0.000 2.056 329 L HA -0.017 4.322 4.340 -0.000 0.000 0.207 329 L C 2.201 179.175 176.870 0.173 0.000 1.078 329 L CA 2.038 56.943 54.840 0.109 0.000 0.749 329 L CB -0.828 41.336 42.059 0.174 0.000 0.901 329 L HN 0.062 nan 8.230 nan 0.000 0.433 330 G N -0.977 107.948 108.800 0.209 0.000 2.469 330 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 330 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 330 G C 1.386 176.418 174.900 0.219 0.000 1.136 330 G CA 0.939 46.208 45.100 0.281 0.000 0.759 330 G HN 0.559 nan 8.290 nan 0.000 0.562 331 E N -0.006 120.264 120.200 0.116 0.000 2.049 331 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 331 E C 2.709 179.337 176.600 0.047 0.000 1.007 331 E CA 1.321 57.764 56.400 0.071 0.000 0.809 331 E CB -0.335 29.386 29.700 0.035 0.000 0.749 331 E HN 0.286 nan 8.360 nan 0.000 0.450 332 V N 0.827 120.728 119.914 -0.020 0.000 2.363 332 V HA -0.270 3.850 4.120 -0.000 0.000 0.254 332 V C 1.792 177.785 176.094 -0.168 0.000 1.074 332 V CA 1.757 63.972 62.300 -0.140 0.000 1.069 332 V CB -0.637 31.022 31.823 -0.273 0.000 0.659 332 V HN 0.241 nan 8.190 nan 0.000 0.455 333 F N -0.058 119.936 119.950 0.073 0.000 2.795 333 F HA 0.061 4.587 4.527 -0.001 0.000 0.303 333 F C 2.014 177.841 175.800 0.044 0.000 1.186 333 F CA 0.335 58.374 58.000 0.065 0.000 1.415 333 F CB -0.258 38.791 39.000 0.082 0.000 1.106 333 F HN 0.261 nan 8.300 nan 0.000 0.558 334 E N -0.511 119.784 120.200 0.159 0.000 2.385 334 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 334 E C 2.289 178.932 176.600 0.071 0.000 1.013 334 E CA 0.596 57.058 56.400 0.104 0.000 0.866 334 E CB 0.095 29.838 29.700 0.071 0.000 0.832 334 E HN 0.466 nan 8.360 nan 0.000 0.500 335 G N 0.653 109.489 108.800 0.060 0.000 2.743 335 G HA2 0.127 4.087 3.960 -0.000 0.000 0.206 335 G HA3 0.127 4.087 3.960 -0.000 0.000 0.206 335 G C 0.487 175.415 174.900 0.048 0.000 1.115 335 G CA -0.047 45.075 45.100 0.037 0.000 0.782 335 G HN -0.026 nan 8.290 nan 0.000 0.524 336 V N 1.068 121.027 119.914 0.075 0.000 2.769 336 V HA 0.306 4.426 4.120 -0.000 0.000 0.312 336 V C 0.178 176.411 176.094 0.230 0.000 1.061 336 V CA -0.693 61.668 62.300 0.100 0.000 0.931 336 V CB 2.108 33.958 31.823 0.044 0.000 1.010 336 V HN 0.088 nan 8.190 nan 0.000 0.433 337 D N 1.313 121.840 120.400 0.213 0.000 2.123 337 D HA -0.020 4.620 4.640 -0.000 0.000 0.200 337 D C 0.497 177.032 176.300 0.392 0.000 0.976 337 D CA 1.701 55.897 54.000 0.326 0.000 0.831 337 D CB 0.581 41.641 40.800 0.434 0.000 0.974 337 D HN 0.511 nan 8.370 nan 0.000 0.469 338 V N -2.470 117.612 119.914 0.280 0.000 3.188 338 V HA 0.517 4.636 4.120 -0.000 0.000 0.305 338 V C -0.941 175.261 176.094 0.180 0.000 1.232 338 V CA -1.156 61.302 62.300 0.263 0.000 1.043 338 V CB 2.388 34.214 31.823 0.003 0.000 1.068 338 V HN -0.143 nan 8.190 nan 0.000 0.439 339 L N 2.099 123.404 121.223 0.136 0.000 2.334 339 L HA 0.720 5.060 4.340 -0.000 0.000 0.272 339 L C -0.945 175.862 176.870 -0.105 0.000 1.020 339 L CA -0.790 54.023 54.840 -0.044 0.000 0.812 339 L CB 1.806 43.775 42.059 -0.150 0.000 1.264 339 L HN 0.657 nan 8.230 nan 0.000 0.439 340 L N 1.413 122.563 121.223 -0.121 0.000 2.376 340 L HA 0.686 5.026 4.340 -0.000 0.000 0.275 340 L C -0.390 176.361 176.870 -0.198 0.000 0.987 340 L CA 0.440 55.197 54.840 -0.138 0.000 0.828 340 L CB 1.846 43.852 42.059 -0.088 0.000 1.249 340 L HN 0.670 nan 8.230 nan 0.000 0.409 341 T N 2.407 116.823 114.554 -0.230 0.000 2.590 341 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 341 T C -1.038 173.495 174.700 -0.278 0.000 0.989 341 T CA -0.350 61.562 62.100 -0.313 0.000 1.091 341 T CB 0.385 69.165 68.868 -0.148 0.000 1.460 341 T HN 0.313 nan 8.240 nan 0.000 0.499 342 Y N 0.628 120.890 120.300 -0.062 0.000 2.300 342 Y HA 0.388 4.938 4.550 -0.000 0.000 0.328 342 Y C 1.803 177.687 175.900 -0.027 0.000 1.270 342 Y CA -0.346 57.687 58.100 -0.112 0.000 1.352 342 Y CB 1.032 39.298 38.460 -0.323 0.000 1.286 342 Y HN 0.477 nan 8.280 nan 0.000 0.536 343 S N 0.395 116.179 115.700 0.140 0.000 2.497 343 S HA 0.450 4.920 4.470 -0.000 0.000 0.221 343 S C 0.151 174.799 174.600 0.079 0.000 1.037 343 S CA 0.339 58.592 58.200 0.087 0.000 0.920 343 S CB 0.323 63.542 63.200 0.033 0.000 0.800 343 S HN 0.712 nan 8.310 nan 0.000 0.505 344 A N 0.791 123.656 122.820 0.075 0.000 2.610 344 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 344 A C -2.698 174.908 177.584 0.036 0.000 1.086 344 A CA -1.118 50.972 52.037 0.088 0.000 0.677 344 A CB 0.131 19.154 19.000 0.038 0.000 1.278 344 A HN -0.067 nan 8.150 nan 0.000 0.414 345 P HA 0.158 nan 4.420 nan 0.000 0.225 345 P C 0.803 178.064 177.300 -0.065 0.000 1.148 345 P CA 1.907 65.029 63.100 0.036 0.000 0.779 345 P CB 0.249 32.092 31.700 0.238 0.000 0.780 346 G N -2.252 106.577 108.800 0.048 0.000 2.399 346 G HA2 0.222 4.182 3.960 -0.000 0.000 0.256 346 G HA3 0.222 4.182 3.960 -0.000 0.000 0.256 346 G C -0.945 174.007 174.900 0.087 0.000 1.236 346 G CA -0.098 45.010 45.100 0.013 0.000 0.914 346 G HN 0.031 nan 8.290 nan 0.000 0.482 347 T N -0.511 114.031 114.554 -0.021 0.000 2.813 347 T HA 0.613 4.962 4.350 -0.000 0.000 0.297 347 T C 0.892 175.393 174.700 -0.332 0.000 1.036 347 T CA 0.672 62.705 62.100 -0.112 0.000 1.044 347 T CB 1.115 69.890 68.868 -0.154 0.000 0.993 347 T HN 1.991 nan 8.240 nan 0.000 0.535 348 A N 2.792 125.240 122.820 -0.620 0.000 2.546 348 A HA 0.445 4.765 4.320 -0.000 0.000 0.243 348 A C -2.109 175.291 177.584 -0.307 0.000 1.063 348 A CA -1.091 50.353 52.037 -0.989 0.000 0.757 348 A CB -0.984 17.618 19.000 -0.664 0.000 0.991 348 A HN 0.699 nan 8.150 nan 0.000 0.503 349 P HA 0.290 nan 4.420 nan 0.000 0.272 349 P C -0.116 177.211 177.300 0.046 0.000 1.230 349 P CA 0.100 63.190 63.100 -0.017 0.000 0.788 349 P CB 0.601 32.285 31.700 -0.026 0.000 0.949 350 A N 2.436 125.202 122.820 -0.089 0.000 2.425 350 A HA 0.072 4.392 4.320 -0.000 0.000 0.249 350 A C 1.428 178.895 177.584 -0.194 0.000 1.084 350 A CA -0.051 51.745 52.037 -0.401 0.000 0.781 350 A CB 0.014 18.820 19.000 -0.324 0.000 1.019 350 A HN 0.432 nan 8.150 nan 0.000 0.490 351 K N 2.044 122.329 120.400 -0.192 0.000 2.160 351 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 351 K C 2.071 178.634 176.600 -0.061 0.000 1.047 351 K CA 1.651 57.889 56.287 -0.083 0.000 0.930 351 K CB -0.686 31.777 32.500 -0.061 0.000 0.720 351 K HN 0.837 nan 8.250 nan 0.000 0.450 352 A N 1.127 123.897 122.820 -0.082 0.000 2.131 352 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 352 A C 2.056 179.620 177.584 -0.034 0.000 1.158 352 A CA 1.023 53.029 52.037 -0.053 0.000 0.665 352 A CB -0.534 18.430 19.000 -0.060 0.000 0.795 352 A HN 0.221 nan 8.150 nan 0.000 0.460 353 L N -1.627 119.574 121.223 -0.036 0.000 2.554 353 L HA 0.127 4.466 4.340 -0.000 0.000 0.226 353 L C 1.585 178.456 176.870 0.002 0.000 1.137 353 L CA 0.331 55.163 54.840 -0.013 0.000 0.863 353 L CB -0.507 41.547 42.059 -0.009 0.000 0.985 353 L HN 0.522 nan 8.230 nan 0.000 0.451 354 A N 0.597 123.417 122.820 0.001 0.000 2.687 354 A HA -0.211 4.108 4.320 -0.000 0.000 0.299 354 A C 0.551 178.151 177.584 0.026 0.000 1.497 354 A CA 0.986 53.030 52.037 0.013 0.000 0.751 354 A CB -1.738 17.270 19.000 0.013 0.000 1.048 354 A HN 0.420 nan 8.150 nan 0.000 0.464 355 S N -1.206 114.514 115.700 0.033 0.000 2.548 355 S HA 0.656 5.126 4.470 -0.000 0.000 0.276 355 S C 0.828 175.477 174.600 0.082 0.000 1.129 355 S CA 0.627 58.859 58.200 0.054 0.000 0.931 355 S CB 1.516 64.749 63.200 0.055 0.000 1.068 355 S HN 1.497 nan 8.310 nan 0.000 0.480 356 T N 0.824 115.439 114.554 0.103 0.000 3.129 356 T HA 0.544 4.894 4.350 -0.000 0.000 0.251 356 T C 1.050 175.910 174.700 0.267 0.000 1.117 356 T CA 0.402 62.597 62.100 0.159 0.000 1.034 356 T CB -0.702 68.232 68.868 0.110 0.000 0.968 356 T HN 1.817 nan 8.240 nan 0.000 0.526 357 G N 0.847 109.782 108.800 0.225 0.000 2.629 357 G HA2 0.034 3.994 3.960 -0.000 0.000 0.686 357 G HA3 0.034 3.994 3.960 -0.000 0.000 0.686 357 G C -1.410 173.590 174.900 0.167 0.000 1.232 357 G CA -0.659 44.611 45.100 0.284 0.000 0.803 357 G HN 0.385 nan 8.290 nan 0.000 0.638 358 D N 1.155 121.653 120.400 0.164 0.000 2.317 358 D HA 0.512 5.152 4.640 -0.000 0.000 0.252 358 D C -1.149 175.210 176.300 0.099 0.000 1.174 358 D CA -2.004 52.061 54.000 0.108 0.000 0.866 358 D CB 1.594 42.460 40.800 0.110 0.000 1.127 358 D HN 0.049 nan 8.370 nan 0.000 0.467 359 P HA 0.060 nan 4.420 nan 0.000 0.249 359 P C 1.014 178.322 177.300 0.013 0.000 1.229 359 P CA 0.132 63.245 63.100 0.022 0.000 0.788 359 P CB 0.055 31.736 31.700 -0.033 0.000 1.072 360 R N -0.551 119.946 120.500 -0.005 0.000 2.185 360 R HA -0.189 4.151 4.340 -0.000 0.000 0.247 360 R C 0.749 177.075 176.300 0.044 0.000 1.159 360 R CA 1.690 57.795 56.100 0.010 0.000 0.988 360 R CB -1.515 28.750 30.300 -0.058 0.000 0.871 360 R HN 0.231 nan 8.270 nan 0.000 0.458 361 Y N 0.341 120.787 120.300 0.243 0.000 2.470 361 Y HA 0.261 4.811 4.550 -0.000 0.000 0.284 361 Y C 1.205 177.312 175.900 0.346 0.000 1.188 361 Y CA -0.239 58.028 58.100 0.279 0.000 1.269 361 Y CB 0.312 38.913 38.460 0.235 0.000 1.094 361 Y HN 0.192 nan 8.280 nan 0.000 0.518 362 N N -0.285 118.617 118.700 0.336 0.000 2.474 362 N HA -0.007 4.733 4.740 -0.000 0.000 0.224 362 N C 1.936 177.553 175.510 0.178 0.000 1.092 362 N CA 0.242 53.487 53.050 0.326 0.000 0.844 362 N CB -0.092 38.505 38.487 0.183 0.000 1.381 362 N HN 0.365 nan 8.380 nan 0.000 0.458 363 R N 1.593 122.050 120.500 -0.072 0.000 2.103 363 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 363 R C 2.048 178.169 176.300 -0.298 0.000 1.142 363 R CA 1.240 57.071 56.100 -0.448 0.000 0.960 363 R CB -0.911 28.714 30.300 -1.125 0.000 0.858 363 R HN 0.074 nan 8.270 nan 0.000 0.439 364 L N 0.960 122.046 121.223 -0.230 0.000 1.971 364 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 364 L C 2.078 178.780 176.870 -0.280 0.000 1.072 364 L CA 1.893 56.544 54.840 -0.314 0.000 0.758 364 L CB -0.789 40.928 42.059 -0.571 0.000 0.889 364 L HN 0.342 nan 8.230 nan 0.000 0.433 365 W N -0.705 120.690 121.300 0.157 0.000 2.364 365 W HA -0.145 4.515 4.660 -0.000 0.000 0.281 365 W C 2.339 178.929 176.519 0.118 0.000 1.219 365 W CA 1.029 58.461 57.345 0.145 0.000 1.220 365 W CB -1.207 28.346 29.460 0.155 0.000 1.127 365 W HN 0.114 nan 8.180 nan 0.000 0.556 366 T N 0.953 115.655 114.554 0.246 0.000 2.857 366 T HA -0.155 4.194 4.350 -0.000 0.000 0.266 366 T C 1.753 176.486 174.700 0.055 0.000 1.048 366 T CA 1.163 63.373 62.100 0.183 0.000 1.139 366 T CB -0.494 68.487 68.868 0.189 0.000 0.874 366 T HN 0.005 nan 8.240 nan 0.000 0.455 367 L N 0.937 122.190 121.223 0.051 0.000 2.056 367 L HA 0.088 4.428 4.340 -0.000 0.000 0.207 367 L C 2.088 178.886 176.870 -0.120 0.000 1.078 367 L CA 1.649 56.443 54.840 -0.077 0.000 0.749 367 L CB -0.698 41.354 42.059 -0.011 0.000 0.901 367 L HN 0.114 nan 8.230 nan 0.000 0.433 368 M N -0.619 118.974 119.600 -0.013 0.000 2.175 368 M HA 0.099 4.579 4.480 -0.000 0.000 0.264 368 M C 1.904 178.223 176.300 0.032 0.000 1.063 368 M CA 1.287 56.605 55.300 0.031 0.000 1.119 368 M CB -1.641 31.068 32.600 0.181 0.000 1.377 368 M HN 0.511 nan 8.290 nan 0.000 0.415 369 G N 0.436 109.313 108.800 0.128 0.000 2.175 369 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 369 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 369 G C 0.057 175.258 174.900 0.501 0.000 0.982 369 G CA 0.306 45.560 45.100 0.256 0.000 0.641 369 G HN 0.486 nan 8.290 nan 0.000 0.527 370 N N 2.454 121.420 118.700 0.443 0.000 2.416 370 N HA 0.430 5.170 4.740 -0.000 0.000 0.246 370 N C -2.095 173.586 175.510 0.284 0.000 1.260 370 N CA -0.274 53.019 53.050 0.405 0.000 0.897 370 N CB 0.715 39.431 38.487 0.383 0.000 1.110 370 N HN 0.239 nan 8.380 nan 0.000 0.439 371 P HA 0.167 nan 4.420 nan 0.000 0.280 371 P C -0.825 176.505 177.300 0.051 0.000 1.244 371 P CA -0.250 62.911 63.100 0.101 0.000 0.784 371 P CB 0.503 32.235 31.700 0.054 0.000 0.913 372 C N 3.166 122.486 119.300 0.034 0.000 2.498 372 C HA 0.600 5.060 4.460 -0.000 0.000 0.316 372 C C 0.025 174.988 174.990 -0.045 0.000 1.209 372 C CA -0.517 58.486 59.018 -0.025 0.000 1.518 372 C CB 1.519 29.254 27.740 -0.009 0.000 2.147 372 C HN 0.343 nan 8.230 nan 0.000 0.483 373 V N 2.850 122.726 119.914 -0.063 0.000 2.531 373 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 373 V C -0.334 175.722 176.094 -0.063 0.000 1.034 373 V CA -0.417 61.844 62.300 -0.065 0.000 0.865 373 V CB 1.879 33.674 31.823 -0.046 0.000 0.995 373 V HN 0.886 nan 8.190 nan 0.000 0.424 374 N N 3.309 121.969 118.700 -0.067 0.000 2.472 374 N HA 0.480 5.220 4.740 -0.000 0.000 0.277 374 N C -1.034 174.455 175.510 -0.035 0.000 1.081 374 N CA -0.160 52.862 53.050 -0.045 0.000 0.973 374 N CB 1.500 39.965 38.487 -0.038 0.000 1.105 374 N HN 0.436 nan 8.380 nan 0.000 0.470 375 V N 5.476 125.376 119.914 -0.024 0.000 2.378 375 V HA 0.428 4.547 4.120 -0.000 0.000 0.288 375 V C -2.191 173.894 176.094 -0.016 0.000 1.016 375 V CA -1.810 60.478 62.300 -0.020 0.000 0.840 375 V CB 1.532 33.346 31.823 -0.015 0.000 0.994 375 V HN 0.749 nan 8.190 nan 0.000 0.431 376 P HA 0.171 nan 4.420 nan 0.000 0.271 376 P C 0.492 177.777 177.300 -0.026 0.000 1.233 376 P CA 0.259 63.349 63.100 -0.017 0.000 0.764 376 P CB 1.206 32.897 31.700 -0.016 0.000 0.825 377 V N 4.240 124.138 119.914 -0.026 0.000 2.490 377 V HA 0.126 4.246 4.120 -0.000 0.000 0.238 377 V C 1.007 177.080 176.094 -0.036 0.000 1.056 377 V CA 1.239 63.522 62.300 -0.029 0.000 1.075 377 V CB -0.566 31.245 31.823 -0.020 0.000 0.746 377 V HN 0.407 nan 8.190 nan 0.000 0.479 378 L N -1.681 119.517 121.223 -0.041 0.000 2.741 378 L HA 0.687 5.026 4.340 -0.000 0.000 0.256 378 L C -1.598 175.228 176.870 -0.073 0.000 1.084 378 L CA -0.828 53.981 54.840 -0.051 0.000 1.021 378 L CB 1.433 43.468 42.059 -0.040 0.000 1.588 378 L HN 0.054 nan 8.230 nan 0.000 0.368 379 K N 0.068 120.423 120.400 -0.075 0.000 2.464 379 K HA 0.780 5.100 4.320 -0.000 0.000 0.253 379 K C -1.540 175.015 176.600 -0.075 0.000 0.933 379 K CA -0.669 55.560 56.287 -0.097 0.000 0.801 379 K CB 3.060 35.486 32.500 -0.123 0.000 1.271 379 K HN 0.395 nan 8.250 nan 0.000 0.430 380 V N 1.583 121.447 119.914 -0.083 0.000 2.407 380 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 380 V C 0.793 176.839 176.094 -0.081 0.000 1.018 380 V CA -0.218 62.041 62.300 -0.068 0.000 0.842 380 V CB 1.139 32.925 31.823 -0.061 0.000 0.996 380 V HN 1.049 nan 8.190 nan 0.000 0.426 381 G N 3.567 112.330 108.800 -0.062 0.000 2.179 381 G HA2 0.017 3.977 3.960 -0.000 0.000 0.257 381 G HA3 0.017 3.977 3.960 -0.000 0.000 0.257 381 G C 1.179 176.036 174.900 -0.072 0.000 1.010 381 G CA 0.761 45.826 45.100 -0.059 0.000 0.736 381 G HN 2.315 nan 8.290 nan 0.000 0.513 382 G N -2.312 106.445 108.800 -0.072 0.000 2.176 382 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.253 382 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.253 382 G C 0.254 175.087 174.900 -0.112 0.000 0.979 382 G CA 0.495 45.555 45.100 -0.066 0.000 0.641 382 G HN 1.248 nan 8.290 nan 0.000 0.530 383 L N 1.316 122.445 121.223 -0.157 0.000 2.275 383 L HA 0.447 4.787 4.340 -0.000 0.000 0.288 383 L C -1.933 174.826 176.870 -0.184 0.000 1.046 383 L CA -2.088 52.631 54.840 -0.201 0.000 0.805 383 L CB 0.731 42.622 42.059 -0.280 0.000 1.193 383 L HN -0.128 nan 8.230 nan 0.000 0.426 384 P HA 0.148 nan 4.420 nan 0.000 0.267 384 P C -0.558 176.708 177.300 -0.056 0.000 1.200 384 P CA 0.191 63.182 63.100 -0.182 0.000 0.772 384 P CB 0.745 32.302 31.700 -0.239 0.000 0.855 385 I N 1.735 122.282 120.570 -0.039 0.000 2.582 385 I HA 0.551 4.720 4.170 -0.000 0.000 0.292 385 I C 0.608 176.730 176.117 0.008 0.000 1.066 385 I CA -0.194 61.109 61.300 0.005 0.000 1.053 385 I CB 1.791 39.785 38.000 -0.010 0.000 1.241 385 I HN 0.439 nan 8.210 nan 0.000 0.421 386 G N 4.350 113.168 108.800 0.030 0.000 2.818 386 G HA2 0.804 4.764 3.960 -0.000 0.000 0.286 386 G HA3 0.804 4.764 3.960 -0.000 0.000 0.286 386 G C -1.112 173.803 174.900 0.026 0.000 1.364 386 G CA -0.545 44.566 45.100 0.018 0.000 0.938 386 G HN 0.503 nan 8.290 nan 0.000 0.490 387 V N -2.573 117.344 119.914 0.005 0.000 2.962 387 V HA 0.772 4.892 4.120 -0.000 0.000 0.313 387 V C -0.665 175.411 176.094 -0.031 0.000 1.099 387 V CA -1.079 61.215 62.300 -0.010 0.000 0.971 387 V CB 1.637 33.441 31.823 -0.030 0.000 1.028 387 V HN 0.849 nan 8.190 nan 0.000 0.430 388 Q N 1.699 121.463 119.800 -0.059 0.000 2.347 388 Q HA 0.654 4.993 4.340 -0.000 0.000 0.262 388 Q C -1.461 174.456 176.000 -0.138 0.000 0.980 388 Q CA -0.579 55.168 55.803 -0.093 0.000 0.867 388 Q CB 1.931 30.610 28.738 -0.098 0.000 1.242 388 Q HN 0.811 nan 8.270 nan 0.000 0.453 389 V N 6.530 126.379 119.914 -0.108 0.000 2.432 389 V HA 0.399 4.519 4.120 -0.000 0.000 0.275 389 V C -0.046 175.969 176.094 -0.131 0.000 1.043 389 V CA -0.278 61.961 62.300 -0.102 0.000 0.925 389 V CB 0.948 32.737 31.823 -0.057 0.000 0.985 389 V HN 0.715 nan 8.190 nan 0.000 0.466 390 I N 4.172 124.657 120.570 -0.142 0.000 2.498 390 I HA 0.783 4.953 4.170 -0.000 0.000 0.290 390 I C 0.148 176.283 176.117 0.030 0.000 1.032 390 I CA -0.493 60.735 61.300 -0.120 0.000 1.073 390 I CB 1.959 39.752 38.000 -0.347 0.000 1.251 390 I HN 0.664 nan 8.210 nan 0.000 0.426 391 A N 5.697 128.479 122.820 -0.063 0.000 2.346 391 A HA 0.831 5.151 4.320 -0.000 0.000 0.313 391 A C -0.306 176.877 177.584 -0.669 0.000 1.140 391 A CA -0.839 51.027 52.037 -0.285 0.000 0.826 391 A CB 1.079 19.988 19.000 -0.151 0.000 1.332 391 A HN 0.810 nan 8.150 nan 0.000 0.457 392 R N -0.349 119.339 120.500 -1.354 0.000 2.738 392 R HA 0.297 4.637 4.340 -0.000 0.000 0.268 392 R C -0.413 175.762 176.300 -0.208 0.000 1.062 392 R CA -0.397 55.115 56.100 -0.980 0.000 1.158 392 R CB 0.089 29.916 30.300 -0.789 0.000 1.046 392 R HN 0.497 nan 8.270 nan 0.000 0.493 393 F N 1.280 121.167 119.950 -0.105 0.000 2.623 393 F HA 0.089 4.616 4.527 0.000 0.000 0.386 393 F C 1.500 177.290 175.800 -0.015 0.000 1.068 393 F CA 1.846 59.849 58.000 0.005 0.000 1.265 393 F CB 0.202 39.245 39.000 0.073 0.000 1.026 393 F HN 0.890 nan 8.300 nan 0.000 0.568 394 G N 3.815 112.232 108.800 -0.638 0.000 2.205 394 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.261 394 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.261 394 G C 0.539 175.289 174.900 -0.251 0.000 0.980 394 G CA 0.400 45.203 45.100 -0.496 0.000 0.632 394 G HN 0.758 nan 8.290 nan 0.000 0.533 395 N N 0.959 119.551 118.700 -0.180 0.000 2.714 395 N HA 0.421 5.160 4.740 -0.000 0.000 0.298 395 N C 1.047 176.524 175.510 -0.054 0.000 1.298 395 N CA 0.327 53.307 53.050 -0.117 0.000 1.007 395 N CB 0.152 38.571 38.487 -0.114 0.000 1.318 395 N HN 0.350 nan 8.380 nan 0.000 0.516 396 D N -0.204 120.168 120.400 -0.047 0.000 2.117 396 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 396 D C 1.853 178.223 176.300 0.116 0.000 0.987 396 D CA 1.153 55.195 54.000 0.070 0.000 0.829 396 D CB 0.031 40.962 40.800 0.218 0.000 0.961 396 D HN 0.400 nan 8.370 nan 0.000 0.460 397 A N 0.325 123.154 122.820 0.015 0.000 1.940 397 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 397 A C 2.020 179.674 177.584 0.117 0.000 1.176 397 A CA 1.907 53.969 52.037 0.042 0.000 0.631 397 A CB -0.842 18.082 19.000 -0.127 0.000 0.814 397 A HN 0.342 nan 8.150 nan 0.000 0.446 398 H N -0.259 118.795 119.070 -0.026 0.000 2.462 398 H HA 0.234 4.790 4.556 -0.000 0.000 0.292 398 H C 2.062 177.397 175.328 0.012 0.000 1.049 398 H CA 1.214 57.250 56.048 -0.019 0.000 1.334 398 H CB -0.248 29.477 29.762 -0.062 0.000 1.404 398 H HN 0.370 nan 8.280 nan 0.000 0.544 399 A N 0.367 123.161 122.820 -0.044 0.000 1.898 399 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 399 A C 2.460 180.033 177.584 -0.019 0.000 1.181 399 A CA 1.259 53.243 52.037 -0.089 0.000 0.620 399 A CB -0.720 18.260 19.000 -0.034 0.000 0.819 399 A HN 0.442 nan 8.150 nan 0.000 0.442 400 L N -0.810 120.451 121.223 0.063 0.000 2.056 400 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 400 L C 3.092 180.078 176.870 0.193 0.000 1.078 400 L CA 0.993 55.902 54.840 0.115 0.000 0.749 400 L CB -0.541 41.614 42.059 0.161 0.000 0.901 400 L HN 0.417 nan 8.230 nan 0.000 0.433 401 A N -0.419 122.512 122.820 0.184 0.000 1.902 401 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 401 A C 2.362 180.054 177.584 0.180 0.000 1.181 401 A CA 2.362 54.528 52.037 0.216 0.000 0.623 401 A CB -0.877 18.218 19.000 0.157 0.000 0.818 401 A HN 0.381 nan 8.150 nan 0.000 0.443 402 T N 0.050 114.623 114.554 0.032 0.000 2.857 402 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 402 T C 2.215 177.046 174.700 0.218 0.000 1.048 402 T CA 1.275 63.405 62.100 0.050 0.000 1.139 402 T CB -0.359 68.391 68.868 -0.196 0.000 0.874 402 T HN 0.578 nan 8.240 nan 0.000 0.455 403 A N 1.024 123.928 122.820 0.139 0.000 1.902 403 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 403 A C 2.092 179.802 177.584 0.210 0.000 1.181 403 A CA 1.242 53.355 52.037 0.127 0.000 0.623 403 A CB -0.937 18.098 19.000 0.058 0.000 0.818 403 A HN 0.643 nan 8.150 nan 0.000 0.443 404 W N 0.222 121.551 121.300 0.049 0.000 2.358 404 W HA -0.181 4.479 4.660 -0.001 0.000 0.303 404 W C 1.901 178.450 176.519 0.050 0.000 1.208 404 W CA 1.236 58.606 57.345 0.041 0.000 1.274 404 W CB -1.053 28.439 29.460 0.054 0.000 1.138 404 W HN 0.449 nan 8.180 nan 0.000 0.515 405 F N 0.820 120.888 119.950 0.196 0.000 2.069 405 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 405 F C 2.323 178.167 175.800 0.073 0.000 1.113 405 F CA 2.304 60.337 58.000 0.056 0.000 1.214 405 F CB -1.061 37.942 39.000 0.004 0.000 0.978 405 F HN -0.170 nan 8.300 nan 0.000 0.474 406 L N 0.350 121.472 121.223 -0.168 0.000 2.083 406 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 406 L C 2.404 179.155 176.870 -0.197 0.000 1.083 406 L CA 1.851 56.513 54.840 -0.297 0.000 0.752 406 L CB -0.548 41.512 42.059 0.002 0.000 0.899 406 L HN 0.306 nan 8.230 nan 0.000 0.433 407 E N -0.274 119.901 120.200 -0.041 0.000 2.085 407 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 407 E C 1.686 178.269 176.600 -0.029 0.000 0.994 407 E CA 1.504 57.898 56.400 -0.009 0.000 0.801 407 E CB -0.087 29.641 29.700 0.048 0.000 0.743 407 E HN 0.575 nan 8.360 nan 0.000 0.453 408 D N 0.547 120.935 120.400 -0.019 0.000 2.117 408 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 408 D C 1.973 178.178 176.300 -0.160 0.000 0.982 408 D CA 1.116 55.089 54.000 -0.047 0.000 0.828 408 D CB -0.221 40.565 40.800 -0.025 0.000 0.967 408 D HN 0.132 nan 8.370 nan 0.000 0.464 409 A N 0.991 123.603 122.820 -0.346 0.000 1.948 409 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 409 A C 2.368 179.841 177.584 -0.185 0.000 1.177 409 A CA 1.059 52.881 52.037 -0.358 0.000 0.636 409 A CB -0.769 17.859 19.000 -0.620 0.000 0.815 409 A HN 0.214 nan 8.150 nan 0.000 0.449 410 L N -1.276 119.857 121.223 -0.149 0.000 2.240 410 L HA -0.040 4.299 4.340 -0.000 0.000 0.211 410 L C 2.792 179.626 176.870 -0.060 0.000 1.106 410 L CA 0.721 55.509 54.840 -0.087 0.000 0.793 410 L CB -0.326 41.690 42.059 -0.071 0.000 0.927 410 L HN 0.401 nan 8.230 nan 0.000 0.446 411 A N -0.949 121.839 122.820 -0.055 0.000 2.206 411 A HA -0.002 4.318 4.320 -0.000 0.000 0.211 411 A C 0.698 178.264 177.584 -0.031 0.000 1.158 411 A CA 0.175 52.194 52.037 -0.031 0.000 0.761 411 A CB -0.093 18.899 19.000 -0.013 0.000 0.801 411 A HN 0.264 nan 8.150 nan 0.000 0.473 412 K N 0.000 120.372 120.400 -0.047 0.000 2.780 412 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 412 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 412 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543