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 3hsi_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKTKRAEQNL NNLPFLALQA EQIEFLGSSA EFKTQIIELI RNAKKRIYVT DATA SEQUENCE ALYWQKDEAG QEILDEIYRV KQENPHLDVK VLIDWHRAQR NLLXXXXXAT DATA SEQUENCE NADWYCEQRQ TYQLPDDPNX FFGVPINTRE VFGVLHVKGF VFDDTVLYSG DATA SEQUENCE ASINNVYLHQ FEKYRYDRYQ KITHAELADS XVNFINDYLL DFSAVYPLDV DATA SEQUENCE TNRPRTKEIR GNIRAYRKDL AQNGEYSLKS AVKLPNVLSV SPLFGLGASG DATA SEQUENCE NELNQVIEDL FLQVQKKLVI CTPYFNFPRT LQHKIATLLE NGKRVEIIVG DATA SEQUENCE DKVANDFYIP PEQPFKXAGA LPYLYESNLR RFCEKFETQI ESGQLVVRLW DATA SEQUENCE RDGDNTYHLK GVWVDDRYIL LTGNNLNPRA WRLDAENGLL IYDPQQQLLA DATA SEQUENCE QVEKEQNQIR QHTKVLKHYT ELEELNQYPE PVQKLLKKFA RIKADKLVKX DATA SEQUENCE IL 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.525 175.510 0.024 0.000 1.280 4 N CA 0.000 53.064 53.050 0.023 0.000 0.885 4 N CB 0.000 38.500 38.487 0.022 0.000 1.341 5 K N 0.642 121.061 120.400 0.032 0.000 2.103 5 K HA 0.123 4.443 4.320 -0.001 0.000 0.204 5 K C 2.393 179.013 176.600 0.033 0.000 1.052 5 K CA 2.398 58.706 56.287 0.035 0.000 0.945 5 K CB -1.537 30.993 32.500 0.050 0.000 0.722 5 K HN 0.548 nan 8.250 nan 0.000 0.443 6 T N 0.820 115.394 114.554 0.034 0.000 2.746 6 T HA -0.068 4.282 4.350 -0.001 0.000 0.267 6 T C 2.609 177.325 174.700 0.027 0.000 1.039 6 T CA 2.315 64.433 62.100 0.031 0.000 1.142 6 T CB -0.453 68.432 68.868 0.028 0.000 0.866 6 T HN 0.707 nan 8.240 nan 0.000 0.444 7 K N 1.529 121.944 120.400 0.023 0.000 1.985 7 K HA -0.019 4.301 4.320 -0.001 0.000 0.210 7 K C 2.625 179.235 176.600 0.017 0.000 1.047 7 K CA 2.106 58.405 56.287 0.020 0.000 0.932 7 K CB -1.699 30.812 32.500 0.018 0.000 0.716 7 K HN 0.527 nan 8.250 nan 0.000 0.439 8 R N 0.521 121.030 120.500 0.015 0.000 2.139 8 R HA 0.192 4.531 4.340 -0.001 0.000 0.243 8 R C 2.794 179.098 176.300 0.006 0.000 1.145 8 R CA 2.145 58.250 56.100 0.009 0.000 0.976 8 R CB -1.611 28.694 30.300 0.008 0.000 0.866 8 R HN 0.907 nan 8.270 nan 0.000 0.449 9 A N 0.561 123.388 122.820 0.011 0.000 1.877 9 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 9 A C 2.228 179.813 177.584 0.001 0.000 1.186 9 A CA 1.665 53.705 52.037 0.005 0.000 0.620 9 A CB -0.426 18.585 19.000 0.018 0.000 0.822 9 A HN 0.698 nan 8.150 nan 0.000 0.443 10 E N -0.424 119.785 120.200 0.015 0.000 2.077 10 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 10 E C 2.253 178.863 176.600 0.018 0.000 0.989 10 E CA 1.414 57.829 56.400 0.025 0.000 0.800 10 E CB -0.132 29.589 29.700 0.035 0.000 0.746 10 E HN 0.784 nan 8.360 nan 0.000 0.452 11 Q N 0.160 119.966 119.800 0.012 0.000 2.030 11 Q HA -0.180 4.160 4.340 -0.001 0.000 0.204 11 Q C 2.088 178.086 176.000 -0.002 0.000 0.986 11 Q CA 1.551 57.358 55.803 0.007 0.000 0.843 11 Q CB -0.174 28.567 28.738 0.005 0.000 0.904 11 Q HN 0.212 nan 8.270 nan 0.000 0.420 12 N N 0.688 119.381 118.700 -0.012 0.000 2.104 12 N HA -0.142 4.598 4.740 -0.001 0.000 0.190 12 N C 1.821 177.309 175.510 -0.035 0.000 1.024 12 N CA 1.092 54.126 53.050 -0.027 0.000 0.853 12 N CB -0.322 38.144 38.487 -0.035 0.000 1.008 12 N HN 0.199 nan 8.380 nan 0.000 0.424 13 L N 0.760 121.962 121.223 -0.034 0.000 2.056 13 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 13 L C 1.595 178.480 176.870 0.026 0.000 1.078 13 L CA 0.883 55.701 54.840 -0.036 0.000 0.749 13 L CB -0.399 41.611 42.059 -0.081 0.000 0.901 13 L HN 0.140 nan 8.230 nan 0.000 0.433 14 N N 0.014 118.727 118.700 0.022 0.000 2.289 14 N HA -0.148 4.592 4.740 -0.001 0.000 0.184 14 N C 1.442 176.971 175.510 0.032 0.000 1.016 14 N CA 0.857 53.923 53.050 0.027 0.000 0.872 14 N CB -0.416 38.085 38.487 0.022 0.000 0.973 14 N HN 0.300 nan 8.380 nan 0.000 0.433 15 N N 0.552 119.257 118.700 0.008 0.000 2.494 15 N HA 0.048 4.788 4.740 -0.001 0.000 0.182 15 N C 0.085 175.572 175.510 -0.038 0.000 1.076 15 N CA 0.061 53.106 53.050 -0.009 0.000 0.908 15 N CB 0.135 38.609 38.487 -0.022 0.000 0.967 15 N HN 0.277 nan 8.380 nan 0.000 0.449 16 L N 2.825 124.013 121.223 -0.058 0.000 2.453 16 L HA 0.155 4.494 4.340 -0.001 0.000 0.272 16 L C -1.886 174.825 176.870 -0.265 0.000 1.182 16 L CA -1.373 53.336 54.840 -0.219 0.000 0.858 16 L CB 0.346 42.179 42.059 -0.377 0.000 1.120 16 L HN -0.080 nan 8.230 nan 0.000 0.474 17 P HA 0.192 nan 4.420 nan 0.000 0.281 17 P C -1.175 175.858 177.300 -0.444 0.000 1.252 17 P CA 0.023 62.986 63.100 -0.228 0.000 0.778 17 P CB 0.634 32.239 31.700 -0.158 0.000 0.895 18 F N 2.458 122.393 119.950 -0.025 0.000 2.551 18 F HA 0.408 4.935 4.527 -0.001 0.000 0.316 18 F C 0.155 175.942 175.800 -0.020 0.000 1.089 18 F CA -1.082 56.909 58.000 -0.014 0.000 0.915 18 F CB 1.965 40.988 39.000 0.039 0.000 1.186 18 F HN 0.114 nan 8.300 nan 0.000 0.456 19 L N 3.451 124.758 121.223 0.141 0.000 2.296 19 L HA 0.830 5.170 4.340 -0.001 0.000 0.286 19 L C -0.218 176.686 176.870 0.056 0.000 1.023 19 L CA -0.537 54.319 54.840 0.028 0.000 0.812 19 L CB 0.849 42.827 42.059 -0.134 0.000 1.223 19 L HN 0.677 nan 8.230 nan 0.000 0.421 20 A N 6.386 129.253 122.820 0.077 0.000 2.520 20 A HA 0.483 4.802 4.320 -0.001 0.000 0.245 20 A C -0.459 177.200 177.584 0.125 0.000 1.072 20 A CA 0.065 52.159 52.037 0.094 0.000 0.761 20 A CB -0.335 18.722 19.000 0.095 0.000 1.004 20 A HN 0.793 nan 8.150 nan 0.000 0.499 21 L N 2.084 123.368 121.223 0.101 0.000 2.341 21 L HA 0.430 4.770 4.340 -0.001 0.000 0.267 21 L C 0.129 177.045 176.870 0.077 0.000 1.009 21 L CA -0.622 54.297 54.840 0.132 0.000 0.819 21 L CB 1.855 43.968 42.059 0.091 0.000 1.323 21 L HN 0.769 nan 8.230 nan 0.000 0.425 22 Q N 0.177 120.020 119.800 0.071 0.000 2.222 22 Q HA 0.388 4.728 4.340 -0.001 0.000 0.252 22 Q C 0.638 176.658 176.000 0.033 0.000 0.926 22 Q CA -0.324 55.500 55.803 0.035 0.000 0.899 22 Q CB 2.265 31.015 28.738 0.020 0.000 1.250 22 Q HN 0.824 nan 8.270 nan 0.000 0.441 23 A N 2.064 124.899 122.820 0.026 0.000 1.978 23 A HA -0.250 4.070 4.320 -0.001 0.000 0.220 23 A C 1.795 179.403 177.584 0.040 0.000 1.170 23 A CA 2.023 54.082 52.037 0.036 0.000 0.636 23 A CB -0.324 18.695 19.000 0.032 0.000 0.810 23 A HN 0.937 nan 8.150 nan 0.000 0.448 24 E N -0.105 120.112 120.200 0.029 0.000 2.268 24 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 24 E C 1.783 178.398 176.600 0.024 0.000 0.995 24 E CA 1.137 57.553 56.400 0.027 0.000 0.836 24 E CB -0.194 29.517 29.700 0.017 0.000 0.763 24 E HN 0.755 nan 8.360 nan 0.000 0.491 25 Q N -0.136 119.678 119.800 0.024 0.000 2.482 25 Q HA 0.122 4.462 4.340 -0.001 0.000 0.209 25 Q C -0.142 175.867 176.000 0.015 0.000 0.961 25 Q CA 0.309 56.127 55.803 0.024 0.000 0.945 25 Q CB 0.359 29.120 28.738 0.038 0.000 1.012 25 Q HN 0.360 nan 8.270 nan 0.000 0.515 26 I N 0.284 120.856 120.570 0.004 0.000 2.436 26 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 26 I C -0.484 175.605 176.117 -0.047 0.000 1.010 26 I CA -0.602 60.664 61.300 -0.056 0.000 1.098 26 I CB 1.990 39.933 38.000 -0.096 0.000 1.266 26 I HN -0.112 nan 8.210 nan 0.000 0.434 27 E N 5.215 125.361 120.200 -0.089 0.000 2.187 27 E HA 0.476 4.826 4.350 -0.001 0.000 0.268 27 E C -1.510 175.016 176.600 -0.124 0.000 0.896 27 E CA -0.785 55.605 56.400 -0.016 0.000 0.766 27 E CB 1.585 31.308 29.700 0.037 0.000 1.142 27 E HN 0.343 nan 8.360 nan 0.000 0.408 28 F N 4.097 124.101 119.950 0.090 0.000 2.421 28 F HA 0.247 4.774 4.527 -0.001 0.000 0.358 28 F C 0.310 176.191 175.800 0.135 0.000 1.115 28 F CA -0.467 57.600 58.000 0.111 0.000 1.160 28 F CB 0.507 39.570 39.000 0.105 0.000 1.123 28 F HN 0.226 nan 8.300 nan 0.000 0.508 29 L N 2.863 124.269 121.223 0.305 0.000 2.395 29 L HA 0.302 4.641 4.340 -0.001 0.000 0.269 29 L C 1.439 178.507 176.870 0.331 0.000 1.133 29 L CA -0.155 54.848 54.840 0.272 0.000 0.812 29 L CB 0.884 43.087 42.059 0.239 0.000 1.125 29 L HN 0.870 nan 8.230 nan 0.000 0.452 30 G N 0.717 109.662 108.800 0.242 0.000 2.777 30 G HA2 0.122 4.081 3.960 -0.001 0.000 0.211 30 G HA3 0.122 4.081 3.960 -0.001 0.000 0.211 30 G C 0.358 175.434 174.900 0.294 0.000 1.149 30 G CA 0.682 45.930 45.100 0.247 0.000 0.785 30 G HN 0.657 nan 8.290 nan 0.000 0.536 31 S N -1.886 113.965 115.700 0.252 0.000 2.636 31 S HA 0.384 4.853 4.470 -0.001 0.000 0.266 31 S C 0.888 175.476 174.600 -0.019 0.000 1.147 31 S CA 0.438 58.773 58.200 0.227 0.000 0.815 31 S CB 0.935 64.192 63.200 0.095 0.000 1.119 31 S HN 0.429 nan 8.310 nan 0.000 0.470 32 S N 0.614 116.365 115.700 0.084 0.000 2.406 32 S HA 0.068 4.538 4.470 -0.001 0.000 0.228 32 S C 2.054 176.702 174.600 0.080 0.000 1.020 32 S CA 0.902 59.135 58.200 0.055 0.000 0.965 32 S CB -1.126 62.276 63.200 0.336 0.000 0.798 32 S HN 1.408 nan 8.310 nan 0.000 0.488 33 A N 1.891 124.758 122.820 0.078 0.000 1.883 33 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 33 A C 2.209 179.774 177.584 -0.032 0.000 1.186 33 A CA 1.678 53.713 52.037 -0.003 0.000 0.624 33 A CB -0.930 18.011 19.000 -0.099 0.000 0.822 33 A HN 0.664 nan 8.150 nan 0.000 0.444 34 E N -1.470 118.711 120.200 -0.033 0.000 2.110 34 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 34 E C 1.746 178.326 176.600 -0.033 0.000 0.988 34 E CA 1.179 57.562 56.400 -0.029 0.000 0.804 34 E CB -0.230 29.473 29.700 0.004 0.000 0.745 34 E HN 0.588 nan 8.360 nan 0.000 0.458 35 F N 2.163 121.915 119.950 -0.331 0.000 2.095 35 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 35 F C 2.216 177.927 175.800 -0.148 0.000 1.104 35 F CA 1.864 59.651 58.000 -0.355 0.000 1.232 35 F CB -0.335 38.187 39.000 -0.796 0.000 0.987 35 F HN -0.150 nan 8.300 nan 0.000 0.475 36 K N -0.578 119.709 120.400 -0.189 0.000 2.032 36 K HA -0.178 4.141 4.320 -0.001 0.000 0.209 36 K C 1.980 178.467 176.600 -0.189 0.000 1.048 36 K CA 2.050 58.196 56.287 -0.235 0.000 0.927 36 K CB -0.469 31.968 32.500 -0.105 0.000 0.712 36 K HN 0.301 nan 8.250 nan 0.000 0.441 37 T N 1.304 115.783 114.554 -0.124 0.000 2.788 37 T HA -0.107 4.242 4.350 -0.001 0.000 0.268 37 T C 1.807 176.436 174.700 -0.119 0.000 1.044 37 T CA 0.977 63.017 62.100 -0.101 0.000 1.139 37 T CB -0.035 68.793 68.868 -0.066 0.000 0.867 37 T HN 0.257 nan 8.240 nan 0.000 0.454 38 Q N 0.414 120.141 119.800 -0.121 0.000 2.083 38 Q HA 0.119 4.458 4.340 -0.001 0.000 0.198 38 Q C 2.469 178.334 176.000 -0.225 0.000 0.969 38 Q CA 0.859 56.589 55.803 -0.122 0.000 0.838 38 Q CB -0.456 28.261 28.738 -0.035 0.000 0.900 38 Q HN 0.544 nan 8.270 nan 0.000 0.436 39 I N 0.540 120.946 120.570 -0.274 0.000 2.151 39 I HA -0.319 3.851 4.170 -0.001 0.000 0.243 39 I C 2.252 178.175 176.117 -0.323 0.000 1.080 39 I CA 1.251 62.355 61.300 -0.327 0.000 1.339 39 I CB -0.398 37.392 38.000 -0.350 0.000 1.039 39 I HN 0.138 nan 8.210 nan 0.000 0.409 40 I N 0.455 120.891 120.570 -0.222 0.000 2.226 40 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 40 I C 2.469 178.484 176.117 -0.170 0.000 1.100 40 I CA 1.487 62.692 61.300 -0.159 0.000 1.374 40 I CB -0.447 37.491 38.000 -0.104 0.000 1.057 40 I HN 0.245 nan 8.210 nan 0.000 0.413 41 E N 0.808 120.903 120.200 -0.174 0.000 2.077 41 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 41 E C 2.341 178.815 176.600 -0.210 0.000 0.989 41 E CA 1.157 57.467 56.400 -0.150 0.000 0.800 41 E CB -0.092 29.538 29.700 -0.116 0.000 0.746 41 E HN 0.462 nan 8.360 nan 0.000 0.452 42 L N 0.503 121.501 121.223 -0.375 0.000 2.093 42 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 42 L C 2.370 178.949 176.870 -0.486 0.000 1.085 42 L CA 0.755 55.261 54.840 -0.557 0.000 0.755 42 L CB -0.252 41.115 42.059 -1.153 0.000 0.904 42 L HN 0.156 nan 8.230 nan 0.000 0.435 43 I N -0.489 119.813 120.570 -0.446 0.000 2.142 43 I HA -0.284 3.885 4.170 -0.001 0.000 0.240 43 I C 2.690 178.771 176.117 -0.061 0.000 1.078 43 I CA 1.301 62.528 61.300 -0.123 0.000 1.343 43 I CB -0.308 37.663 38.000 -0.048 0.000 1.046 43 I HN 0.149 nan 8.210 nan 0.000 0.405 44 R N 0.691 121.141 120.500 -0.084 0.000 2.159 44 R HA -0.117 4.223 4.340 -0.001 0.000 0.237 44 R C 1.442 177.721 176.300 -0.035 0.000 1.131 44 R CA 1.127 57.198 56.100 -0.048 0.000 0.982 44 R CB -0.354 29.916 30.300 -0.050 0.000 0.868 44 R HN 0.478 nan 8.270 nan 0.000 0.453 45 N N 0.190 118.862 118.700 -0.046 0.000 2.280 45 N HA 0.076 4.816 4.740 -0.001 0.000 0.192 45 N C -0.325 175.194 175.510 0.015 0.000 1.109 45 N CA 0.035 53.074 53.050 -0.019 0.000 0.855 45 N CB 0.764 39.234 38.487 -0.028 0.000 0.974 45 N HN 0.085 nan 8.380 nan 0.000 0.482 46 A N 1.021 123.864 122.820 0.038 0.000 2.450 46 A HA 0.173 4.493 4.320 -0.001 0.000 0.255 46 A C 0.895 178.516 177.584 0.061 0.000 1.096 46 A CA 0.228 52.318 52.037 0.088 0.000 0.778 46 A CB 0.455 19.547 19.000 0.152 0.000 1.031 46 A HN 0.105 nan 8.150 nan 0.000 0.494 47 K N 0.688 121.127 120.400 0.066 0.000 2.402 47 K HA 0.161 4.481 4.320 -0.001 0.000 0.203 47 K C 0.999 177.637 176.600 0.063 0.000 1.077 47 K CA 0.435 56.753 56.287 0.052 0.000 1.051 47 K CB 0.548 33.073 32.500 0.043 0.000 0.907 47 K HN 0.717 nan 8.250 nan 0.000 0.554 48 K N -0.147 120.299 120.400 0.078 0.000 2.567 48 K HA 0.183 4.503 4.320 -0.001 0.000 0.199 48 K C -0.208 176.452 176.600 0.100 0.000 1.412 48 K CA 0.026 56.362 56.287 0.082 0.000 1.020 48 K CB 1.057 33.601 32.500 0.073 0.000 1.487 48 K HN -0.050 nan 8.250 nan 0.000 0.531 49 R N 0.512 121.086 120.500 0.123 0.000 2.629 49 R HA 0.487 4.827 4.340 -0.001 0.000 0.266 49 R C -1.582 174.819 176.300 0.169 0.000 1.051 49 R CA -0.670 55.532 56.100 0.170 0.000 0.895 49 R CB 1.035 31.494 30.300 0.265 0.000 1.246 49 R HN -0.096 nan 8.270 nan 0.000 0.459 50 I N 2.711 123.348 120.570 0.111 0.000 2.468 50 I HA 0.359 4.528 4.170 -0.001 0.000 0.284 50 I C -1.357 174.717 176.117 -0.072 0.000 1.038 50 I CA -0.707 60.603 61.300 0.018 0.000 1.083 50 I CB 1.677 39.689 38.000 0.020 0.000 1.223 50 I HN 0.572 nan 8.210 nan 0.000 0.443 51 Y N 5.173 125.349 120.300 -0.208 0.000 2.364 51 Y HA 0.663 5.212 4.550 -0.001 0.000 0.340 51 Y C -0.317 175.487 175.900 -0.161 0.000 0.975 51 Y CA -0.966 57.051 58.100 -0.138 0.000 1.089 51 Y CB 2.296 40.719 38.460 -0.062 0.000 1.192 51 Y HN 0.142 nan 8.280 nan 0.000 0.454 52 V N 2.757 122.670 119.914 -0.001 0.000 2.577 52 V HA 0.431 4.551 4.120 -0.001 0.000 0.303 52 V C -0.625 175.569 176.094 0.168 0.000 1.042 52 V CA -0.841 61.472 62.300 0.021 0.000 0.872 52 V CB 2.196 33.917 31.823 -0.170 0.000 0.998 52 V HN 0.827 nan 8.190 nan 0.000 0.423 53 T N 1.822 116.556 114.554 0.301 0.000 2.792 53 T HA 0.932 5.282 4.350 -0.001 0.000 0.280 53 T C -0.412 174.483 174.700 0.325 0.000 0.990 53 T CA -0.374 61.897 62.100 0.285 0.000 0.960 53 T CB 1.929 70.966 68.868 0.282 0.000 0.939 53 T HN 1.215 nan 8.240 nan 0.000 0.439 54 A N 2.725 125.724 122.820 0.298 0.000 2.594 54 A HA 0.720 5.039 4.320 -0.001 0.000 0.291 54 A C 0.626 178.363 177.584 0.255 0.000 1.105 54 A CA -0.848 51.349 52.037 0.266 0.000 0.694 54 A CB 1.195 20.359 19.000 0.272 0.000 1.291 54 A HN 0.844 nan 8.150 nan 0.000 0.410 55 L N 0.275 121.627 121.223 0.215 0.000 2.017 55 L HA 0.097 4.437 4.340 -0.001 0.000 0.208 55 L C 0.466 177.596 176.870 0.434 0.000 1.073 55 L CA 2.799 57.810 54.840 0.284 0.000 0.745 55 L CB -0.605 41.653 42.059 0.333 0.000 0.894 55 L HN 0.957 nan 8.230 nan 0.000 0.432 56 Y N -5.194 115.284 120.300 0.296 0.000 2.689 56 Y HA 0.448 4.998 4.550 -0.000 0.000 0.333 56 Y C -1.596 174.590 175.900 0.476 0.000 1.208 56 Y CA -1.958 56.369 58.100 0.379 0.000 1.055 56 Y CB 0.278 38.922 38.460 0.306 0.000 1.304 56 Y HN -0.024 nan 8.280 nan 0.000 0.455 57 W N 3.775 125.384 121.300 0.514 0.000 2.604 57 W HA 0.443 5.103 4.660 -0.001 0.000 0.302 57 W C -1.490 175.381 176.519 0.587 0.000 1.013 57 W CA -1.038 56.596 57.345 0.481 0.000 1.338 57 W CB 1.917 31.707 29.460 0.549 0.000 1.233 57 W HN 0.874 nan 8.180 nan 0.000 0.390 58 Q N 3.549 123.768 119.800 0.698 0.000 2.340 58 Q HA 0.081 4.421 4.340 -0.001 0.000 0.249 58 Q C 0.241 176.294 176.000 0.090 0.000 0.957 58 Q CA 0.395 56.451 55.803 0.422 0.000 0.882 58 Q CB 1.002 29.948 28.738 0.347 0.000 1.235 58 Q HN 0.367 nan 8.270 nan 0.000 0.439 59 K N 3.830 124.020 120.400 -0.350 0.000 2.095 59 K HA 0.072 4.392 4.320 -0.001 0.000 0.258 59 K C -1.261 174.999 176.600 -0.567 0.000 1.120 59 K CA 0.090 55.680 56.287 -1.162 0.000 1.026 59 K CB -0.393 31.446 32.500 -1.101 0.000 1.256 59 K HN 0.696 nan 8.250 nan 0.000 0.360 60 D N 1.090 121.283 120.400 -0.345 0.000 2.759 60 D HA 0.063 4.703 4.640 -0.001 0.000 0.321 60 D C 0.335 176.639 176.300 0.007 0.000 1.267 60 D CA -0.696 53.240 54.000 -0.107 0.000 0.933 60 D CB 0.364 41.172 40.800 0.013 0.000 1.431 60 D HN 0.097 nan 8.370 nan 0.000 0.504 61 E N -0.023 120.239 120.200 0.102 0.000 2.070 61 E HA -0.123 4.227 4.350 -0.001 0.000 0.197 61 E C 1.916 178.576 176.600 0.101 0.000 1.004 61 E CA 2.587 59.068 56.400 0.135 0.000 0.805 61 E CB -0.483 29.351 29.700 0.223 0.000 0.744 61 E HN 0.512 nan 8.360 nan 0.000 0.451 62 A N 0.568 123.426 122.820 0.063 0.000 1.855 62 A HA -0.022 4.298 4.320 -0.001 0.000 0.215 62 A C 2.525 180.185 177.584 0.126 0.000 1.191 62 A CA 1.662 53.724 52.037 0.043 0.000 0.613 62 A CB -1.371 17.636 19.000 0.012 0.000 0.829 62 A HN 0.352 nan 8.150 nan 0.000 0.442 63 G N -0.725 108.183 108.800 0.180 0.000 2.505 63 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.220 63 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.220 63 G C 1.643 177.041 174.900 0.830 0.000 1.145 63 G CA 1.604 46.985 45.100 0.469 0.000 0.761 63 G HN 0.574 nan 8.290 nan 0.000 0.571 64 Q N 0.317 120.451 119.800 0.557 0.000 2.079 64 Q HA -0.015 4.325 4.340 -0.001 0.000 0.200 64 Q C 2.358 178.650 176.000 0.488 0.000 0.974 64 Q CA 1.972 58.175 55.803 0.667 0.000 0.840 64 Q CB -0.369 28.637 28.738 0.446 0.000 0.898 64 Q HN 0.675 nan 8.270 nan 0.000 0.430 65 E N -0.591 119.802 120.200 0.322 0.000 2.051 65 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 65 E C 1.640 178.378 176.600 0.230 0.000 0.991 65 E CA 1.341 57.873 56.400 0.219 0.000 0.799 65 E CB -0.076 29.694 29.700 0.116 0.000 0.748 65 E HN 0.386 nan 8.360 nan 0.000 0.449 66 I N 1.139 121.864 120.570 0.259 0.000 2.179 66 I HA -0.223 3.947 4.170 -0.001 0.000 0.242 66 I C 2.532 178.928 176.117 0.465 0.000 1.088 66 I CA 0.741 62.196 61.300 0.259 0.000 1.357 66 I CB -1.399 36.648 38.000 0.079 0.000 1.051 66 I HN 0.298 nan 8.210 nan 0.000 0.409 67 L N 1.440 123.091 121.223 0.713 0.000 2.012 67 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 67 L C 2.088 179.168 176.870 0.350 0.000 1.073 67 L CA 1.970 57.146 54.840 0.560 0.000 0.748 67 L CB -1.059 41.319 42.059 0.531 0.000 0.891 67 L HN 0.193 nan 8.230 nan 0.000 0.431 68 D N -0.414 120.174 120.400 0.313 0.000 2.116 68 D HA -0.198 4.441 4.640 -0.001 0.000 0.193 68 D C 2.088 178.433 176.300 0.075 0.000 0.998 68 D CA 1.346 55.440 54.000 0.156 0.000 0.836 68 D CB -0.138 40.784 40.800 0.203 0.000 0.951 68 D HN 0.417 nan 8.370 nan 0.000 0.449 69 E N 0.356 120.620 120.200 0.107 0.000 2.085 69 E HA -0.142 4.208 4.350 -0.001 0.000 0.194 69 E C 2.378 178.988 176.600 0.016 0.000 0.994 69 E CA 0.428 56.859 56.400 0.052 0.000 0.801 69 E CB -0.178 29.552 29.700 0.050 0.000 0.743 69 E HN 0.344 nan 8.360 nan 0.000 0.453 70 I N 0.237 120.823 120.570 0.027 0.000 2.179 70 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 70 I C 2.358 178.347 176.117 -0.213 0.000 1.088 70 I CA 1.294 62.539 61.300 -0.090 0.000 1.357 70 I CB -1.153 36.755 38.000 -0.154 0.000 1.051 70 I HN 0.099 nan 8.210 nan 0.000 0.409 71 Y N 0.982 121.156 120.300 -0.210 0.000 2.224 71 Y HA -0.218 4.331 4.550 -0.001 0.000 0.289 71 Y C 2.895 178.643 175.900 -0.253 0.000 1.146 71 Y CA 1.751 59.645 58.100 -0.344 0.000 1.182 71 Y CB -0.521 37.450 38.460 -0.816 0.000 0.983 71 Y HN 0.107 nan 8.280 nan 0.000 0.524 72 R N -0.161 120.303 120.500 -0.060 0.000 2.070 72 R HA -0.146 4.194 4.340 -0.001 0.000 0.233 72 R C 2.027 178.306 176.300 -0.035 0.000 1.137 72 R CA 1.961 58.040 56.100 -0.035 0.000 0.945 72 R CB -0.563 29.728 30.300 -0.015 0.000 0.845 72 R HN 0.186 nan 8.270 nan 0.000 0.430 73 V N 1.540 121.429 119.914 -0.043 0.000 2.407 73 V HA -0.224 3.896 4.120 -0.001 0.000 0.248 73 V C 2.341 178.403 176.094 -0.054 0.000 1.055 73 V CA 2.062 64.338 62.300 -0.039 0.000 1.049 73 V CB -0.536 31.271 31.823 -0.027 0.000 0.662 73 V HN 0.338 nan 8.190 nan 0.000 0.455 74 K N 0.413 120.761 120.400 -0.088 0.000 2.025 74 K HA -0.189 4.131 4.320 -0.001 0.000 0.207 74 K C 2.290 178.855 176.600 -0.059 0.000 1.049 74 K CA 1.490 57.718 56.287 -0.098 0.000 0.933 74 K CB -0.478 31.909 32.500 -0.187 0.000 0.714 74 K HN 0.363 nan 8.250 nan 0.000 0.438 75 Q N 0.938 120.719 119.800 -0.032 0.000 2.135 75 Q HA -0.203 4.137 4.340 -0.001 0.000 0.204 75 Q C 1.369 177.354 176.000 -0.025 0.000 0.981 75 Q CA 1.980 57.780 55.803 -0.005 0.000 0.856 75 Q CB 0.020 28.771 28.738 0.021 0.000 0.902 75 Q HN 0.564 nan 8.270 nan 0.000 0.425 76 E N -0.136 120.045 120.200 -0.031 0.000 2.299 76 E HA 0.035 4.384 4.350 -0.001 0.000 0.193 76 E C 0.045 176.610 176.600 -0.057 0.000 0.998 76 E CA 0.192 56.570 56.400 -0.036 0.000 0.851 76 E CB 0.281 29.966 29.700 -0.025 0.000 0.795 76 E HN 0.286 nan 8.360 nan 0.000 0.492 77 N N 1.203 119.863 118.700 -0.066 0.000 2.762 77 N HA 0.122 4.861 4.740 -0.001 0.000 0.252 77 N C -2.404 173.039 175.510 -0.111 0.000 1.269 77 N CA -1.030 51.968 53.050 -0.087 0.000 0.799 77 N CB 1.597 40.059 38.487 -0.043 0.000 1.173 77 N HN -0.051 nan 8.380 nan 0.000 0.516 78 P HA -0.094 nan 4.420 nan 0.000 0.222 78 P C 0.528 177.796 177.300 -0.053 0.000 1.147 78 P CA 1.348 64.355 63.100 -0.155 0.000 0.790 78 P CB 0.150 31.721 31.700 -0.215 0.000 0.780 79 H N -2.260 116.805 119.070 -0.009 0.000 2.553 79 H HA 0.131 4.687 4.556 -0.001 0.000 0.265 79 H C 0.608 175.933 175.328 -0.006 0.000 0.964 79 H CA -1.002 55.043 56.048 -0.006 0.000 1.156 79 H CB -0.062 29.700 29.762 0.000 0.000 1.411 79 H HN 0.019 nan 8.280 nan 0.000 0.558 80 L N 2.787 124.057 121.223 0.080 0.000 2.640 80 L HA -0.093 4.247 4.340 -0.001 0.000 0.280 80 L C 0.080 176.963 176.870 0.021 0.000 1.229 80 L CA 0.270 55.135 54.840 0.042 0.000 0.919 80 L CB 0.129 42.187 42.059 -0.001 0.000 1.168 80 L HN 0.161 nan 8.230 nan 0.000 0.496 81 D N 4.258 124.679 120.400 0.036 0.000 2.339 81 D HA 0.317 4.957 4.640 -0.001 0.000 0.241 81 D C -1.061 175.187 176.300 -0.088 0.000 1.183 81 D CA -0.076 53.928 54.000 0.007 0.000 0.859 81 D CB 0.684 41.543 40.800 0.099 0.000 1.067 81 D HN 0.233 nan 8.370 nan 0.000 0.484 82 V N 5.227 125.031 119.914 -0.183 0.000 2.444 82 V HA 0.429 4.549 4.120 -0.001 0.000 0.294 82 V C -0.104 175.772 176.094 -0.363 0.000 1.022 82 V CA -0.761 61.369 62.300 -0.283 0.000 0.850 82 V CB 1.679 33.341 31.823 -0.269 0.000 0.992 82 V HN 0.427 nan 8.190 nan 0.000 0.426 83 K N 3.895 123.972 120.400 -0.538 0.000 2.578 83 K HA 0.658 4.978 4.320 -0.001 0.000 0.250 83 K C -1.560 174.843 176.600 -0.329 0.000 0.955 83 K CA -0.604 55.439 56.287 -0.408 0.000 0.825 83 K CB 2.696 34.803 32.500 -0.655 0.000 1.151 83 K HN 0.418 nan 8.250 nan 0.000 0.432 84 V N 4.734 124.483 119.914 -0.276 0.000 2.357 84 V HA 0.359 4.479 4.120 -0.001 0.000 0.284 84 V C -0.784 175.297 176.094 -0.022 0.000 1.018 84 V CA -0.863 61.259 62.300 -0.296 0.000 0.841 84 V CB 1.112 32.412 31.823 -0.872 0.000 0.991 84 V HN 0.544 nan 8.190 nan 0.000 0.437 85 L N 7.193 128.479 121.223 0.106 0.000 2.287 85 L HA 0.634 4.973 4.340 -0.001 0.000 0.287 85 L C -0.096 176.930 176.870 0.259 0.000 1.022 85 L CA 0.049 55.015 54.840 0.210 0.000 0.814 85 L CB 1.476 43.638 42.059 0.172 0.000 1.217 85 L HN 0.577 nan 8.230 nan 0.000 0.420 86 I N -1.347 119.412 120.570 0.315 0.000 3.239 86 I HA 0.550 4.719 4.170 -0.001 0.000 0.314 86 I C -0.545 175.786 176.117 0.357 0.000 1.126 86 I CA -0.894 60.619 61.300 0.356 0.000 0.973 86 I CB 1.855 40.121 38.000 0.444 0.000 1.252 86 I HN 0.437 nan 8.210 nan 0.000 0.463 87 D N 2.174 122.783 120.400 0.348 0.000 2.424 87 D HA -0.014 4.626 4.640 -0.001 0.000 0.244 87 D C 0.927 177.441 176.300 0.358 0.000 1.134 87 D CA 0.005 54.208 54.000 0.338 0.000 0.881 87 D CB 0.907 41.881 40.800 0.291 0.000 1.191 87 D HN 0.608 nan 8.370 nan 0.000 0.445 88 W N 5.136 126.517 121.300 0.135 0.000 2.358 88 W HA -0.213 4.447 4.660 -0.001 0.000 0.303 88 W C 0.879 177.388 176.519 -0.017 0.000 1.208 88 W CA 1.116 58.477 57.345 0.027 0.000 1.274 88 W CB -0.115 29.277 29.460 -0.113 0.000 1.138 88 W HN 0.662 nan 8.180 nan 0.000 0.515 89 H N 0.007 119.159 119.070 0.135 0.000 2.403 89 H HA -0.050 4.506 4.556 -0.000 0.000 0.298 89 H C 2.136 177.440 175.328 -0.039 0.000 1.059 89 H CA 1.645 57.673 56.048 -0.033 0.000 1.363 89 H CB -0.266 29.572 29.762 0.126 0.000 1.410 89 H HN 0.046 nan 8.280 nan 0.000 0.528 90 R N 1.769 122.378 120.500 0.180 0.000 2.092 90 R HA 0.006 4.346 4.340 -0.001 0.000 0.231 90 R C 2.231 178.578 176.300 0.078 0.000 1.119 90 R CA 1.289 57.461 56.100 0.120 0.000 0.970 90 R CB -0.723 29.683 30.300 0.175 0.000 0.864 90 R HN 0.227 nan 8.270 nan 0.000 0.440 91 A N -0.145 122.739 122.820 0.106 0.000 2.121 91 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 91 A C 1.340 178.877 177.584 -0.078 0.000 1.154 91 A CA 1.228 53.316 52.037 0.085 0.000 0.679 91 A CB -0.191 18.930 19.000 0.202 0.000 0.795 91 A HN 0.515 nan 8.150 nan 0.000 0.458 92 Q N -0.886 118.826 119.800 -0.146 0.000 2.175 92 Q HA 0.186 4.525 4.340 -0.001 0.000 0.225 92 Q C -0.007 175.922 176.000 -0.117 0.000 0.837 92 Q CA -0.246 55.439 55.803 -0.196 0.000 1.032 92 Q CB 0.447 28.966 28.738 -0.366 0.000 1.137 92 Q HN 0.805 nan 8.270 nan 0.000 0.483 93 R N -1.624 118.831 120.500 -0.075 0.000 2.831 93 R HA 0.526 4.865 4.340 -0.001 0.000 0.266 93 R C -1.161 175.102 176.300 -0.061 0.000 1.051 93 R CA -0.817 55.250 56.100 -0.056 0.000 0.943 93 R CB 0.938 31.220 30.300 -0.031 0.000 1.228 93 R HN -0.140 nan 8.270 nan 0.000 0.467 94 N N -0.428 118.239 118.700 -0.055 0.000 2.485 94 N HA 0.370 5.110 4.740 -0.001 0.000 0.280 94 N C -0.741 174.733 175.510 -0.061 0.000 1.205 94 N CA -0.838 52.175 53.050 -0.061 0.000 0.959 94 N CB 0.938 39.394 38.487 -0.052 0.000 1.206 94 N HN 0.307 nan 8.380 nan 0.000 0.545 95 L N 1.580 122.762 121.223 -0.069 0.000 2.506 95 L HA 0.243 4.583 4.340 -0.001 0.000 0.281 95 L C 0.975 177.832 176.870 -0.023 0.000 1.228 95 L CA 0.304 55.107 54.840 -0.063 0.000 0.850 95 L CB -0.712 41.307 42.059 -0.068 0.000 1.110 95 L HN 0.599 nan 8.230 nan 0.000 0.496 103 T N -2.309 112.195 114.554 -0.083 0.000 2.938 103 T HA 0.487 4.836 4.350 -0.001 0.000 0.285 103 T C 0.644 175.260 174.700 -0.140 0.000 1.028 103 T CA 0.051 62.087 62.100 -0.106 0.000 1.005 103 T CB 1.066 69.863 68.868 -0.119 0.000 1.157 103 T HN 0.043 nan 8.240 nan 0.000 0.550 104 N N 0.576 119.171 118.700 -0.174 0.000 2.104 104 N HA -0.101 4.638 4.740 -0.001 0.000 0.190 104 N C 2.208 177.250 175.510 -0.780 0.000 1.024 104 N CA 1.707 54.563 53.050 -0.324 0.000 0.853 104 N CB -1.084 37.306 38.487 -0.161 0.000 1.008 104 N HN 0.811 nan 8.380 nan 0.000 0.424 105 A N 1.452 123.977 122.820 -0.492 0.000 1.883 105 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 105 A C 1.788 179.215 177.584 -0.262 0.000 1.186 105 A CA 1.779 53.613 52.037 -0.338 0.000 0.624 105 A CB -0.527 18.382 19.000 -0.151 0.000 0.822 105 A HN 0.189 nan 8.150 nan 0.000 0.444 106 D N -1.650 118.638 120.400 -0.187 0.000 2.144 106 D HA -0.182 4.458 4.640 -0.001 0.000 0.199 106 D C 1.591 177.840 176.300 -0.086 0.000 0.984 106 D CA 1.419 55.352 54.000 -0.111 0.000 0.834 106 D CB -0.379 40.378 40.800 -0.072 0.000 0.955 106 D HN 0.812 nan 8.370 nan 0.000 0.465 107 W N 1.053 122.152 121.300 -0.336 0.000 2.436 107 W HA -0.190 4.470 4.660 -0.000 0.000 0.284 107 W C 1.694 178.050 176.519 -0.271 0.000 1.225 107 W CA 0.938 58.110 57.345 -0.290 0.000 1.271 107 W CB -0.437 28.853 29.460 -0.285 0.000 1.114 107 W HN -0.098 nan 8.180 nan 0.000 0.559 108 Y N -0.300 119.721 120.300 -0.465 0.000 2.242 108 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 108 Y C 2.920 178.546 175.900 -0.457 0.000 1.137 108 Y CA 1.060 58.684 58.100 -0.795 0.000 1.181 108 Y CB -1.922 35.977 38.460 -0.934 0.000 0.989 108 Y HN 0.105 nan 8.280 nan 0.000 0.527 109 C N 0.616 119.828 119.300 -0.147 0.000 2.429 109 C HA -0.185 4.275 4.460 -0.001 0.000 0.277 109 C C 2.754 177.663 174.990 -0.136 0.000 1.262 109 C CA 1.596 60.553 59.018 -0.102 0.000 1.733 109 C CB -1.050 26.647 27.740 -0.071 0.000 2.010 109 C HN 0.685 nan 8.230 nan 0.000 0.483 110 E N -0.592 119.508 120.200 -0.166 0.000 2.077 110 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 110 E C 2.194 178.644 176.600 -0.249 0.000 0.989 110 E CA 1.256 57.559 56.400 -0.162 0.000 0.800 110 E CB -0.190 29.454 29.700 -0.093 0.000 0.746 110 E HN 0.616 nan 8.360 nan 0.000 0.452 111 Q N 0.457 120.033 119.800 -0.374 0.000 2.084 111 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 111 Q C 2.201 177.995 176.000 -0.344 0.000 0.978 111 Q CA 1.285 56.830 55.803 -0.431 0.000 0.844 111 Q CB -0.492 27.925 28.738 -0.534 0.000 0.898 111 Q HN 0.297 nan 8.270 nan 0.000 0.426 112 R N 0.751 121.140 120.500 -0.187 0.000 2.080 112 R HA -0.183 4.157 4.340 -0.001 0.000 0.236 112 R C 2.198 178.446 176.300 -0.088 0.000 1.137 112 R CA 1.755 57.826 56.100 -0.048 0.000 0.943 112 R CB 0.003 30.317 30.300 0.024 0.000 0.846 112 R HN 0.341 nan 8.270 nan 0.000 0.431 113 Q N -0.874 118.857 119.800 -0.114 0.000 2.096 113 Q HA -0.140 4.200 4.340 -0.001 0.000 0.204 113 Q C 2.042 177.952 176.000 -0.149 0.000 0.982 113 Q CA 2.178 57.918 55.803 -0.105 0.000 0.850 113 Q CB -0.042 28.639 28.738 -0.096 0.000 0.901 113 Q HN 0.403 nan 8.270 nan 0.000 0.422 114 T N -0.042 114.359 114.554 -0.255 0.000 2.737 114 T HA -0.129 4.221 4.350 -0.001 0.000 0.265 114 T C 1.279 175.755 174.700 -0.372 0.000 1.038 114 T CA 1.118 63.007 62.100 -0.352 0.000 1.144 114 T CB -0.299 68.253 68.868 -0.526 0.000 0.866 114 T HN 0.268 nan 8.240 nan 0.000 0.434 115 Y N 2.196 122.321 120.300 -0.292 0.000 2.509 115 Y HA 0.001 4.550 4.550 -0.001 0.000 0.293 115 Y C 1.428 177.248 175.900 -0.132 0.000 1.133 115 Y CA 0.067 57.995 58.100 -0.287 0.000 1.283 115 Y CB -0.947 37.122 38.460 -0.652 0.000 1.001 115 Y HN 0.432 nan 8.280 nan 0.000 0.555 116 Q N -0.429 119.380 119.800 0.015 0.000 2.423 116 Q HA -0.248 4.092 4.340 -0.001 0.000 0.332 116 Q C -0.913 175.123 176.000 0.059 0.000 1.355 116 Q CA 0.158 55.973 55.803 0.021 0.000 0.947 116 Q CB -2.554 26.180 28.738 -0.008 0.000 1.189 116 Q HN 0.448 nan 8.270 nan 0.000 0.418 117 L N 0.089 121.373 121.223 0.101 0.000 2.485 117 L HA 0.098 4.438 4.340 -0.001 0.000 0.275 117 L C -0.754 176.148 176.870 0.053 0.000 1.207 117 L CA -1.472 53.425 54.840 0.096 0.000 0.855 117 L CB -0.005 42.133 42.059 0.131 0.000 1.114 117 L HN 0.133 nan 8.230 nan 0.000 0.485 118 P HA -0.150 nan 4.420 nan 0.000 0.215 118 P C 0.912 178.225 177.300 0.021 0.000 1.157 118 P CA 1.779 64.894 63.100 0.024 0.000 0.868 118 P CB -0.016 31.695 31.700 0.018 0.000 0.788 119 D N -1.446 118.968 120.400 0.023 0.000 2.340 119 D HA -0.001 4.638 4.640 -0.001 0.000 0.220 119 D C 0.580 176.889 176.300 0.016 0.000 1.039 119 D CA 0.515 54.526 54.000 0.019 0.000 0.866 119 D CB -0.999 39.814 40.800 0.023 0.000 0.913 119 D HN 0.092 nan 8.370 nan 0.000 0.523 120 D N 0.385 120.800 120.400 0.025 0.000 2.689 120 D HA -0.117 4.522 4.640 -0.001 0.000 0.237 120 D C -2.059 174.250 176.300 0.014 0.000 1.148 120 D CA 0.619 54.634 54.000 0.026 0.000 0.656 120 D CB -1.030 39.778 40.800 0.013 0.000 1.050 120 D HN 0.448 nan 8.370 nan 0.000 0.426 121 P HA 0.146 nan 4.420 nan 0.000 0.272 121 P C 0.328 177.607 177.300 -0.035 0.000 1.230 121 P CA -0.255 62.837 63.100 -0.012 0.000 0.788 121 P CB 0.630 32.315 31.700 -0.025 0.000 0.949 125 F N 1.229 121.243 119.950 0.106 0.000 2.532 125 F HA 0.767 5.294 4.527 -0.001 0.000 0.321 125 F C 0.517 176.462 175.800 0.242 0.000 1.089 125 F CA -1.263 56.841 58.000 0.173 0.000 0.926 125 F CB 2.315 41.377 39.000 0.104 0.000 1.168 125 F HN 0.499 nan 8.300 nan 0.000 0.459 126 G N 1.367 110.482 108.800 0.525 0.000 2.368 126 G HA2 0.561 4.520 3.960 -0.001 0.000 0.320 126 G HA3 0.561 4.520 3.960 -0.001 0.000 0.320 126 G C -1.551 173.601 174.900 0.420 0.000 1.158 126 G CA -0.613 44.830 45.100 0.572 0.000 0.912 126 G HN 0.466 nan 8.290 nan 0.000 0.456 127 V N 5.054 125.177 119.914 0.348 0.000 2.347 127 V HA 0.377 4.497 4.120 -0.001 0.000 0.280 127 V C -2.017 174.230 176.094 0.255 0.000 1.021 127 V CA -1.616 60.811 62.300 0.211 0.000 0.847 127 V CB 1.854 33.820 31.823 0.238 0.000 0.990 127 V HN 0.668 nan 8.190 nan 0.000 0.444 128 P HA 0.351 nan 4.420 nan 0.000 0.291 128 P C 0.454 177.939 177.300 0.308 0.000 1.378 128 P CA -0.297 62.884 63.100 0.136 0.000 0.853 128 P CB 1.450 33.009 31.700 -0.234 0.000 1.002 129 I N 1.288 122.072 120.570 0.356 0.000 2.928 129 I HA 0.076 4.246 4.170 -0.001 0.000 0.266 129 I C 0.918 177.203 176.117 0.281 0.000 1.234 129 I CA 1.054 62.544 61.300 0.316 0.000 1.483 129 I CB -0.935 37.226 38.000 0.269 0.000 1.097 129 I HN 0.410 nan 8.210 nan 0.000 0.455 130 N N -0.857 118.044 118.700 0.336 0.000 2.934 130 N HA 0.077 4.817 4.740 -0.001 0.000 0.253 130 N C 0.856 176.606 175.510 0.399 0.000 1.466 130 N CA 0.486 53.714 53.050 0.297 0.000 0.858 130 N CB 1.443 40.090 38.487 0.266 0.000 1.459 130 N HN -0.067 nan 8.380 nan 0.000 0.532 131 T N -1.643 113.088 114.554 0.295 0.000 2.995 131 T HA 0.151 4.501 4.350 -0.001 0.000 0.269 131 T C 0.424 175.286 174.700 0.269 0.000 1.091 131 T CA 0.971 63.258 62.100 0.311 0.000 1.128 131 T CB 0.144 69.122 68.868 0.184 0.000 0.891 131 T HN 0.199 nan 8.240 nan 0.000 0.492 132 R N 0.853 121.435 120.500 0.136 0.000 2.628 132 R HA 0.375 4.714 4.340 -0.001 0.000 0.288 132 R C 0.841 176.993 176.300 -0.247 0.000 0.980 132 R CA -0.510 55.525 56.100 -0.109 0.000 0.891 132 R CB 1.763 32.156 30.300 0.156 0.000 1.188 132 R HN 0.364 nan 8.270 nan 0.000 0.450 133 E N 1.872 121.727 120.200 -0.575 0.000 2.097 133 E HA -0.177 4.172 4.350 -0.001 0.000 0.196 133 E C 1.230 177.758 176.600 -0.121 0.000 1.000 133 E CA 1.509 57.761 56.400 -0.246 0.000 0.804 133 E CB 0.296 29.911 29.700 -0.143 0.000 0.740 133 E HN 0.311 nan 8.360 nan 0.000 0.454 134 V N -0.077 119.701 119.914 -0.228 0.000 2.720 134 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 134 V C 1.128 176.936 176.094 -0.477 0.000 1.082 134 V CA 1.541 63.617 62.300 -0.372 0.000 1.101 134 V CB -0.426 31.072 31.823 -0.542 0.000 0.693 134 V HN 0.338 nan 8.190 nan 0.000 0.479 135 F N 0.192 120.148 119.950 0.010 0.000 2.664 135 F HA 0.572 5.098 4.527 -0.001 0.000 0.303 135 F C 0.914 176.755 175.800 0.067 0.000 1.092 135 F CA 0.518 58.540 58.000 0.037 0.000 1.305 135 F CB 0.739 39.758 39.000 0.032 0.000 1.054 135 F HN 0.243 nan 8.300 nan 0.000 0.565 136 G N 0.558 109.472 108.800 0.191 0.000 2.238 136 G HA2 0.400 4.360 3.960 -0.001 0.000 0.276 136 G HA3 0.400 4.360 3.960 -0.001 0.000 0.276 136 G C -1.734 173.282 174.900 0.193 0.000 1.744 136 G CA -0.558 44.654 45.100 0.188 0.000 0.912 136 G HN 0.191 nan 8.290 nan 0.000 0.744 137 V N 0.093 120.099 119.914 0.152 0.000 3.102 137 V HA 0.892 5.012 4.120 -0.001 0.000 0.312 137 V C -0.100 176.042 176.094 0.081 0.000 1.135 137 V CA -1.453 60.919 62.300 0.120 0.000 1.022 137 V CB 1.935 33.767 31.823 0.015 0.000 1.056 137 V HN 1.282 nan 8.190 nan 0.000 0.436 138 L N 2.697 123.986 121.223 0.109 0.000 2.454 138 L HA 0.440 4.780 4.340 -0.001 0.000 0.284 138 L C 0.611 177.519 176.870 0.063 0.000 1.139 138 L CA 0.615 55.548 54.840 0.156 0.000 0.911 138 L CB -0.681 41.519 42.059 0.234 0.000 1.262 138 L HN 0.770 nan 8.230 nan 0.000 0.453 139 H N 3.282 122.478 119.070 0.210 0.000 2.520 139 H HA 0.239 4.794 4.556 -0.001 0.000 0.284 139 H C 0.010 175.432 175.328 0.156 0.000 1.037 139 H CA -0.138 56.011 56.048 0.169 0.000 1.168 139 H CB 0.262 30.105 29.762 0.134 0.000 1.497 139 H HN 0.281 nan 8.280 nan 0.000 0.547 140 V N 3.060 123.157 119.914 0.305 0.000 2.599 140 V HA -0.023 4.097 4.120 -0.001 0.000 0.300 140 V C 0.565 176.786 176.094 0.213 0.000 1.034 140 V CA 0.348 62.831 62.300 0.305 0.000 1.115 140 V CB 0.597 32.663 31.823 0.405 0.000 0.934 140 V HN 0.122 nan 8.190 nan 0.000 0.485 141 K N 2.968 123.437 120.400 0.115 0.000 2.238 141 K HA 0.881 5.200 4.320 -0.001 0.000 0.239 141 K C 0.105 176.638 176.600 -0.111 0.000 0.987 141 K CA -0.271 55.928 56.287 -0.147 0.000 0.857 141 K CB 1.959 34.066 32.500 -0.655 0.000 1.154 141 K HN 1.045 nan 8.250 nan 0.000 0.439 142 G N 1.027 109.705 108.800 -0.203 0.000 2.462 142 G HA2 0.205 4.165 3.960 -0.001 0.000 0.424 142 G HA3 0.205 4.165 3.960 -0.001 0.000 0.424 142 G C -1.721 173.311 174.900 0.219 0.000 1.573 142 G CA -1.007 44.066 45.100 -0.045 0.000 0.913 142 G HN 0.122 nan 8.290 nan 0.000 0.672 143 F N 0.768 120.720 119.950 0.004 0.000 2.469 143 F HA 0.747 5.273 4.527 -0.001 0.000 0.332 143 F C 0.424 176.074 175.800 -0.249 0.000 1.103 143 F CA -1.896 56.005 58.000 -0.166 0.000 0.979 143 F CB 2.246 41.131 39.000 -0.191 0.000 1.137 143 F HN 0.343 nan 8.300 nan 0.000 0.463 144 V N 4.074 123.884 119.914 -0.173 0.000 2.409 144 V HA 0.432 4.551 4.120 -0.001 0.000 0.291 144 V C -0.921 174.960 176.094 -0.354 0.000 1.020 144 V CA -0.807 61.409 62.300 -0.139 0.000 0.848 144 V CB 1.377 33.187 31.823 -0.022 0.000 0.990 144 V HN 0.479 nan 8.190 nan 0.000 0.430 145 F N 3.337 123.379 119.950 0.153 0.000 2.382 145 F HA 0.509 5.036 4.527 -0.001 0.000 0.361 145 F C 0.836 176.687 175.800 0.086 0.000 1.109 145 F CA -0.513 57.554 58.000 0.112 0.000 1.031 145 F CB 1.154 40.210 39.000 0.093 0.000 1.234 145 F HN 0.570 nan 8.300 nan 0.000 0.445 146 D N 0.738 121.262 120.400 0.205 0.000 4.207 146 D HA -0.306 4.334 4.640 -0.001 0.000 0.160 146 D C 0.508 176.870 176.300 0.102 0.000 0.724 146 D CA 1.962 56.041 54.000 0.133 0.000 1.104 146 D CB -0.434 40.438 40.800 0.121 0.000 0.509 146 D HN 0.520 nan 8.370 nan 0.000 0.475 147 D N 0.423 120.883 120.400 0.101 0.000 2.424 147 D HA 0.174 4.813 4.640 -0.001 0.000 0.220 147 D C -0.305 176.060 176.300 0.109 0.000 1.150 147 D CA 0.353 54.405 54.000 0.086 0.000 0.831 147 D CB 0.348 41.185 40.800 0.061 0.000 0.981 147 D HN 0.085 nan 8.370 nan 0.000 0.500 148 T N 0.586 115.233 114.554 0.155 0.000 2.779 148 T HA 0.389 4.738 4.350 -0.001 0.000 0.280 148 T C 0.146 174.980 174.700 0.223 0.000 0.987 148 T CA -0.475 61.734 62.100 0.182 0.000 0.966 148 T CB 2.634 71.626 68.868 0.207 0.000 0.933 148 T HN -0.281 nan 8.240 nan 0.000 0.442 149 V N 4.335 124.352 119.914 0.171 0.000 2.427 149 V HA 0.490 4.610 4.120 -0.001 0.000 0.286 149 V C -0.467 175.751 176.094 0.206 0.000 1.034 149 V CA -0.809 61.589 62.300 0.164 0.000 0.893 149 V CB 1.511 33.391 31.823 0.096 0.000 0.982 149 V HN 0.637 nan 8.190 nan 0.000 0.452 150 L N 6.222 127.599 121.223 0.257 0.000 2.316 150 L HA 0.520 4.859 4.340 -0.001 0.000 0.280 150 L C -1.208 175.680 176.870 0.031 0.000 1.006 150 L CA -0.347 54.634 54.840 0.235 0.000 0.836 150 L CB 1.012 43.350 42.059 0.465 0.000 1.221 150 L HN 0.629 nan 8.230 nan 0.000 0.418 151 Y N 4.267 124.508 120.300 -0.099 0.000 2.335 151 Y HA 0.718 5.268 4.550 -0.001 0.000 0.338 151 Y C -0.263 175.493 175.900 -0.240 0.000 0.977 151 Y CA 0.090 58.073 58.100 -0.195 0.000 1.114 151 Y CB 1.562 39.924 38.460 -0.164 0.000 1.182 151 Y HN 0.726 nan 8.280 nan 0.000 0.463 152 S N 2.413 117.697 115.700 -0.694 0.000 2.565 152 S HA 0.445 4.915 4.470 -0.001 0.000 0.269 152 S C 0.373 174.600 174.600 -0.621 0.000 1.153 152 S CA -0.140 57.712 58.200 -0.580 0.000 0.835 152 S CB 0.980 63.800 63.200 -0.633 0.000 1.122 152 S HN 0.971 nan 8.310 nan 0.000 0.462 153 G N 0.898 109.421 108.800 -0.462 0.000 2.813 153 G HA2 0.426 4.386 3.960 -0.001 0.000 0.209 153 G HA3 0.426 4.386 3.960 -0.001 0.000 0.209 153 G C 0.576 175.323 174.900 -0.255 0.000 1.150 153 G CA 0.457 45.384 45.100 -0.290 0.000 0.785 153 G HN 1.105 nan 8.290 nan 0.000 0.535 154 A N 0.419 122.984 122.820 -0.424 0.000 2.477 154 A HA 0.618 4.937 4.320 -0.001 0.000 0.246 154 A C 0.678 177.875 177.584 -0.644 0.000 1.078 154 A CA -0.048 51.532 52.037 -0.762 0.000 0.770 154 A CB 0.484 19.257 19.000 -0.378 0.000 1.011 154 A HN 0.222 nan 8.150 nan 0.000 0.494 155 S N 0.524 115.533 115.700 -1.152 0.000 2.713 155 S HA 0.513 4.983 4.470 -0.001 0.000 0.277 155 S C 0.135 174.527 174.600 -0.346 0.000 1.168 155 S CA -0.454 57.381 58.200 -0.608 0.000 0.994 155 S CB 0.456 63.088 63.200 -0.946 0.000 1.054 155 S HN 0.519 nan 8.310 nan 0.000 0.555 156 I N 3.956 124.356 120.570 -0.282 0.000 2.287 156 I HA 0.367 4.536 4.170 -0.001 0.000 0.290 156 I C 0.012 176.095 176.117 -0.057 0.000 1.069 156 I CA -0.298 60.838 61.300 -0.273 0.000 1.237 156 I CB -1.077 36.382 38.000 -0.903 0.000 1.418 156 I HN 0.633 nan 8.210 nan 0.000 0.481 157 N N 4.379 123.156 118.700 0.129 0.000 3.243 157 N HA 0.262 5.002 4.740 -0.001 0.000 0.280 157 N C 0.186 175.797 175.510 0.167 0.000 1.545 157 N CA -0.660 52.507 53.050 0.196 0.000 0.854 157 N CB 0.261 38.941 38.487 0.321 0.000 1.612 157 N HN 0.014 nan 8.380 nan 0.000 0.577 158 N N -0.641 118.145 118.700 0.143 0.000 2.084 158 N HA -0.110 4.629 4.740 -0.001 0.000 0.190 158 N C 1.616 177.196 175.510 0.116 0.000 1.030 158 N CA 2.151 55.269 53.050 0.113 0.000 0.849 158 N CB -0.571 38.026 38.487 0.184 0.000 1.012 158 N HN 0.540 nan 8.380 nan 0.000 0.423 159 V N -1.742 118.221 119.914 0.081 0.000 2.453 159 V HA -0.117 4.003 4.120 -0.001 0.000 0.247 159 V C 1.756 177.888 176.094 0.064 0.000 1.048 159 V CA 1.153 63.462 62.300 0.015 0.000 1.049 159 V CB -1.344 30.416 31.823 -0.104 0.000 0.672 159 V HN 0.158 nan 8.190 nan 0.000 0.457 160 Y N 0.091 120.481 120.300 0.151 0.000 2.333 160 Y HA -0.008 4.542 4.550 -0.001 0.000 0.290 160 Y C 2.080 178.155 175.900 0.292 0.000 1.144 160 Y CA 1.178 59.408 58.100 0.216 0.000 1.228 160 Y CB 0.099 38.671 38.460 0.187 0.000 0.985 160 Y HN 0.277 nan 8.280 nan 0.000 0.542 161 L N -1.676 119.753 121.223 0.344 0.000 2.693 161 L HA 0.110 4.450 4.340 -0.001 0.000 0.235 161 L C 0.180 177.184 176.870 0.223 0.000 1.127 161 L CA 0.455 55.437 54.840 0.238 0.000 0.914 161 L CB -0.952 41.162 42.059 0.092 0.000 1.193 161 L HN 0.242 nan 8.230 nan 0.000 0.502 162 H N -0.702 118.446 119.070 0.129 0.000 2.756 162 H HA -0.290 4.266 4.556 -0.001 0.000 0.315 162 H C 1.693 177.011 175.328 -0.017 0.000 1.210 162 H CA 0.353 56.467 56.048 0.111 0.000 1.150 162 H CB -0.239 29.589 29.762 0.110 0.000 1.463 162 H HN 0.349 nan 8.280 nan 0.000 0.427 163 Q N 0.053 119.869 119.800 0.026 0.000 2.124 163 Q HA 0.019 4.359 4.340 -0.001 0.000 0.202 163 Q C 0.322 175.962 176.000 -0.600 0.000 0.977 163 Q CA 2.251 57.830 55.803 -0.373 0.000 0.850 163 Q CB 0.205 28.590 28.738 -0.587 0.000 0.901 163 Q HN 0.619 nan 8.270 nan 0.000 0.429 164 F N -2.664 117.402 119.950 0.193 0.000 3.188 164 F HA 0.438 4.965 4.527 -0.000 0.000 0.198 164 F C 2.136 178.086 175.800 0.249 0.000 1.589 164 F CA -0.093 58.003 58.000 0.161 0.000 0.914 164 F CB -0.406 38.655 39.000 0.102 0.000 1.928 164 F HN -0.053 nan 8.300 nan 0.000 0.334 165 E N 0.653 121.102 120.200 0.414 0.000 2.230 165 E HA 0.043 4.393 4.350 -0.001 0.000 0.192 165 E C 0.624 177.388 176.600 0.273 0.000 0.987 165 E CA 0.549 57.147 56.400 0.330 0.000 0.841 165 E CB -0.313 29.511 29.700 0.208 0.000 0.783 165 E HN 0.292 nan 8.360 nan 0.000 0.481 166 K N 0.106 120.609 120.400 0.171 0.000 2.205 166 K HA 0.470 4.790 4.320 -0.001 0.000 0.279 166 K C -0.690 175.846 176.600 -0.108 0.000 1.027 166 K CA -0.675 55.610 56.287 -0.003 0.000 0.932 166 K CB 0.575 33.083 32.500 0.012 0.000 1.032 166 K HN 0.457 nan 8.250 nan 0.000 0.466 167 Y N 0.386 120.497 120.300 -0.314 0.000 2.598 167 Y HA 0.598 5.147 4.550 -0.000 0.000 0.340 167 Y C -1.069 174.767 175.900 -0.108 0.000 1.038 167 Y CA -1.462 56.460 58.100 -0.296 0.000 1.100 167 Y CB 1.162 39.313 38.460 -0.515 0.000 1.281 167 Y HN 0.466 nan 8.280 nan 0.000 0.488 168 R N 2.189 122.731 120.500 0.070 0.000 2.439 168 R HA 0.343 4.683 4.340 -0.001 0.000 0.310 168 R C -2.185 174.267 176.300 0.254 0.000 0.955 168 R CA -0.754 55.313 56.100 -0.055 0.000 0.853 168 R CB 0.834 30.861 30.300 -0.454 0.000 1.171 168 R HN 0.808 nan 8.270 nan 0.000 0.449 169 Y N 3.883 124.193 120.300 0.016 0.000 2.365 169 Y HA 0.317 4.867 4.550 -0.001 0.000 0.340 169 Y C -0.511 175.298 175.900 -0.151 0.000 1.016 169 Y CA -0.421 57.697 58.100 0.030 0.000 1.196 169 Y CB 0.670 38.965 38.460 -0.275 0.000 1.167 169 Y HN 0.715 nan 8.280 nan 0.000 0.509 170 D N 3.973 124.288 120.400 -0.142 0.000 2.758 170 D HA 0.490 5.129 4.640 -0.001 0.000 0.279 170 D C -0.936 174.691 176.300 -1.121 0.000 1.111 170 D CA -0.652 53.003 54.000 -0.575 0.000 1.109 170 D CB 1.899 42.486 40.800 -0.355 0.000 1.428 170 D HN 0.545 nan 8.370 nan 0.000 0.586 171 R N -0.247 119.570 120.500 -1.138 0.000 2.778 171 R HA 0.577 4.916 4.340 -0.001 0.000 0.277 171 R C -1.187 174.417 176.300 -1.161 0.000 0.977 171 R CA -0.706 54.790 56.100 -1.007 0.000 0.950 171 R CB 1.655 31.690 30.300 -0.442 0.000 1.165 171 R HN 0.351 nan 8.270 nan 0.000 0.474 172 Y N 0.185 120.407 120.300 -0.130 0.000 2.330 172 Y HA 0.295 4.844 4.550 -0.001 0.000 0.324 172 Y C -0.919 174.957 175.900 -0.040 0.000 1.093 172 Y CA -1.148 56.861 58.100 -0.153 0.000 1.103 172 Y CB 1.875 40.232 38.460 -0.172 0.000 1.183 172 Y HN 0.326 nan 8.280 nan 0.000 0.433 173 Q N 2.359 122.183 119.800 0.041 0.000 2.340 173 Q HA 0.478 4.818 4.340 -0.001 0.000 0.268 173 Q C -1.025 174.964 176.000 -0.019 0.000 1.031 173 Q CA -0.920 54.812 55.803 -0.118 0.000 0.804 173 Q CB 2.762 31.319 28.738 -0.302 0.000 1.286 173 Q HN 0.408 nan 8.270 nan 0.000 0.448 174 K N 2.856 123.232 120.400 -0.039 0.000 2.265 174 K HA 0.537 4.857 4.320 -0.001 0.000 0.267 174 K C -1.112 175.480 176.600 -0.013 0.000 0.994 174 K CA -0.461 55.846 56.287 0.033 0.000 0.860 174 K CB 0.735 33.271 32.500 0.059 0.000 1.099 174 K HN 0.657 nan 8.250 nan 0.000 0.448 175 I N 2.916 123.500 120.570 0.023 0.000 2.410 175 I HA 0.140 4.309 4.170 -0.001 0.000 0.286 175 I C -0.337 175.822 176.117 0.070 0.000 1.009 175 I CA -0.518 60.794 61.300 0.019 0.000 1.111 175 I CB 2.205 40.199 38.000 -0.010 0.000 1.262 175 I HN 0.397 nan 8.210 nan 0.000 0.443 176 T N 4.835 119.430 114.554 0.068 0.000 2.811 176 T HA 0.315 4.665 4.350 -0.001 0.000 0.309 176 T C -0.608 174.145 174.700 0.089 0.000 1.005 176 T CA -0.228 61.917 62.100 0.074 0.000 0.955 176 T CB -0.302 68.592 68.868 0.044 0.000 0.970 176 T HN 0.369 nan 8.240 nan 0.000 0.496 177 H N 1.787 120.867 119.070 0.018 0.000 3.287 177 H HA 0.408 4.964 4.556 -0.001 0.000 0.330 177 H C 0.551 175.886 175.328 0.011 0.000 1.064 177 H CA -0.664 55.391 56.048 0.011 0.000 1.544 177 H CB 0.985 30.748 29.762 0.002 0.000 1.918 177 H HN 0.516 nan 8.280 nan 0.000 0.477 178 A N 3.602 126.523 122.820 0.169 0.000 1.948 178 A HA -0.166 4.154 4.320 -0.001 0.000 0.220 178 A C 2.092 179.785 177.584 0.181 0.000 1.177 178 A CA 1.802 53.923 52.037 0.139 0.000 0.636 178 A CB -0.164 18.873 19.000 0.062 0.000 0.815 178 A HN 0.780 nan 8.150 nan 0.000 0.449 179 E N -0.958 119.444 120.200 0.336 0.000 2.072 179 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 179 E C 1.955 178.556 176.600 0.002 0.000 0.985 179 E CA 1.164 57.640 56.400 0.126 0.000 0.801 179 E CB -0.167 29.583 29.700 0.083 0.000 0.750 179 E HN 0.499 nan 8.360 nan 0.000 0.452 180 L N 1.007 122.194 121.223 -0.060 0.000 2.017 180 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 180 L C 2.241 179.098 176.870 -0.023 0.000 1.073 180 L CA 2.134 56.918 54.840 -0.094 0.000 0.745 180 L CB -0.810 41.179 42.059 -0.116 0.000 0.894 180 L HN 0.028 nan 8.230 nan 0.000 0.432 181 A N -0.654 122.184 122.820 0.029 0.000 1.892 181 A HA -0.268 4.052 4.320 -0.001 0.000 0.218 181 A C 2.009 179.589 177.584 -0.007 0.000 1.188 181 A CA 2.119 54.171 52.037 0.025 0.000 0.631 181 A CB -1.002 18.029 19.000 0.052 0.000 0.822 181 A HN 0.539 nan 8.150 nan 0.000 0.447 182 D N -0.131 120.271 120.400 0.004 0.000 2.144 182 D HA -0.025 4.614 4.640 -0.001 0.000 0.199 182 D C 1.548 177.850 176.300 0.004 0.000 0.984 182 D CA 1.098 55.089 54.000 -0.014 0.000 0.834 182 D CB -0.460 40.344 40.800 0.006 0.000 0.955 182 D HN 0.375 nan 8.370 nan 0.000 0.465 186 N N 0.710 119.373 118.700 -0.061 0.000 2.166 186 N HA -0.100 4.639 4.740 -0.001 0.000 0.186 186 N C 1.540 177.041 175.510 -0.015 0.000 1.019 186 N CA 2.079 55.106 53.050 -0.038 0.000 0.856 186 N CB -0.305 38.184 38.487 0.003 0.000 0.993 186 N HN 0.579 nan 8.380 nan 0.000 0.426 187 F N 1.541 121.447 119.950 -0.074 0.000 2.134 187 F HA -0.010 4.517 4.527 -0.001 0.000 0.299 187 F C 2.048 177.775 175.800 -0.122 0.000 1.097 187 F CA 0.959 58.874 58.000 -0.141 0.000 1.264 187 F CB -0.265 38.471 39.000 -0.442 0.000 1.001 187 F HN -0.077 nan 8.300 nan 0.000 0.479 188 I N 0.387 120.931 120.570 -0.043 0.000 2.142 188 I HA -0.342 3.828 4.170 -0.001 0.000 0.240 188 I C 2.287 178.285 176.117 -0.198 0.000 1.078 188 I CA 1.396 62.646 61.300 -0.083 0.000 1.343 188 I CB -0.662 37.439 38.000 0.168 0.000 1.046 188 I HN 0.194 nan 8.210 nan 0.000 0.405 189 N N 0.750 119.364 118.700 -0.143 0.000 2.084 189 N HA -0.178 4.562 4.740 -0.001 0.000 0.190 189 N C 1.404 176.728 175.510 -0.310 0.000 1.030 189 N CA 1.591 54.533 53.050 -0.181 0.000 0.849 189 N CB -0.269 38.155 38.487 -0.105 0.000 1.012 189 N HN 0.352 nan 8.380 nan 0.000 0.423 190 D N -0.739 119.434 120.400 -0.378 0.000 2.162 190 D HA -0.048 4.592 4.640 -0.001 0.000 0.203 190 D C 1.359 177.175 176.300 -0.806 0.000 0.967 190 D CA 1.088 54.744 54.000 -0.573 0.000 0.840 190 D CB -0.059 40.361 40.800 -0.634 0.000 0.972 190 D HN 0.356 nan 8.370 nan 0.000 0.482 191 Y N -0.307 119.628 120.300 -0.609 0.000 2.609 191 Y HA 0.276 4.825 4.550 -0.001 0.000 0.281 191 Y C 2.199 177.760 175.900 -0.564 0.000 1.132 191 Y CA -0.071 57.628 58.100 -0.668 0.000 1.264 191 Y CB 0.063 37.913 38.460 -1.017 0.000 1.325 191 Y HN -0.184 nan 8.280 nan 0.000 0.514 192 L N -0.252 120.664 121.223 -0.512 0.000 2.095 192 L HA -0.056 4.284 4.340 -0.001 0.000 0.204 192 L C 0.684 177.432 176.870 -0.203 0.000 1.080 192 L CA 0.954 55.649 54.840 -0.241 0.000 0.759 192 L CB -0.294 41.647 42.059 -0.197 0.000 0.914 192 L HN 0.117 nan 8.230 nan 0.000 0.439 193 L N 1.504 122.486 121.223 -0.401 0.000 2.437 193 L HA 0.063 4.403 4.340 -0.001 0.000 0.243 193 L C -0.296 176.065 176.870 -0.848 0.000 1.346 193 L CA -0.286 54.122 54.840 -0.720 0.000 1.233 193 L CB -0.474 41.096 42.059 -0.816 0.000 1.436 193 L HN 0.081 nan 8.230 nan 0.000 0.416 194 D N 0.357 120.412 120.400 -0.575 0.000 2.396 194 D HA 0.067 4.706 4.640 -0.001 0.000 0.225 194 D C 0.712 176.683 176.300 -0.549 0.000 1.121 194 D CA -0.409 53.318 54.000 -0.455 0.000 0.853 194 D CB 0.774 41.499 40.800 -0.125 0.000 1.043 194 D HN 0.091 nan 8.370 nan 0.000 0.500 195 F N 2.343 122.116 119.950 -0.296 0.000 2.771 195 F HA 0.049 4.576 4.527 -0.001 0.000 0.299 195 F C 2.695 178.239 175.800 -0.426 0.000 1.177 195 F CA 0.764 58.537 58.000 -0.378 0.000 1.450 195 F CB -0.807 38.015 39.000 -0.295 0.000 1.114 195 F HN 0.505 nan 8.300 nan 0.000 0.587 196 S N 0.249 115.849 115.700 -0.167 0.000 2.383 196 S HA 0.060 4.530 4.470 -0.001 0.000 0.227 196 S C 2.105 176.599 174.600 -0.176 0.000 1.026 196 S CA 1.523 59.643 58.200 -0.134 0.000 0.981 196 S CB -0.406 62.756 63.200 -0.063 0.000 0.818 196 S HN 0.269 nan 8.310 nan 0.000 0.472 197 A N -0.294 122.330 122.820 -0.326 0.000 2.192 197 A HA 0.597 4.917 4.320 -0.001 0.000 0.208 197 A C 0.504 177.835 177.584 -0.422 0.000 1.220 197 A CA 0.119 51.946 52.037 -0.351 0.000 0.900 197 A CB 0.559 19.231 19.000 -0.548 0.000 0.937 197 A HN 0.290 nan 8.150 nan 0.000 0.487 198 V N 0.692 120.278 119.914 -0.547 0.000 2.427 198 V HA 0.434 4.554 4.120 -0.001 0.000 0.286 198 V C -1.081 174.879 176.094 -0.224 0.000 1.034 198 V CA -0.341 61.756 62.300 -0.338 0.000 0.893 198 V CB 0.599 32.184 31.823 -0.397 0.000 0.982 198 V HN 0.391 nan 8.190 nan 0.000 0.452 199 Y N 5.324 125.677 120.300 0.088 0.000 2.425 199 Y HA 0.481 5.031 4.550 -0.000 0.000 0.344 199 Y C -2.146 173.980 175.900 0.377 0.000 0.969 199 Y CA -2.717 55.520 58.100 0.228 0.000 1.052 199 Y CB 2.468 40.987 38.460 0.100 0.000 1.215 199 Y HN 0.442 nan 8.280 nan 0.000 0.451 200 P HA 0.040 nan 4.420 nan 0.000 0.268 200 P C 0.175 177.573 177.300 0.164 0.000 1.204 200 P CA 0.327 63.453 63.100 0.045 0.000 0.768 200 P CB 1.219 32.861 31.700 -0.097 0.000 0.842 201 L N 1.992 123.282 121.223 0.113 0.000 2.446 201 L HA -0.017 4.323 4.340 -0.001 0.000 0.219 201 L C 1.091 178.027 176.870 0.111 0.000 1.116 201 L CA 0.870 55.824 54.840 0.190 0.000 0.844 201 L CB -0.388 41.851 42.059 0.301 0.000 0.970 201 L HN 0.363 nan 8.230 nan 0.000 0.457 202 D N 0.011 120.434 120.400 0.039 0.000 2.706 202 D HA 0.141 4.781 4.640 -0.001 0.000 0.236 202 D C 0.135 176.428 176.300 -0.012 0.000 1.231 202 D CA -0.096 53.908 54.000 0.008 0.000 0.828 202 D CB -0.376 40.422 40.800 -0.003 0.000 1.015 202 D HN 0.061 nan 8.370 nan 0.000 0.484 203 V N -3.432 116.487 119.914 0.008 0.000 3.103 203 V HA 0.601 4.721 4.120 -0.001 0.000 0.318 203 V C 1.478 177.575 176.094 0.004 0.000 1.114 203 V CA -0.349 61.957 62.300 0.009 0.000 1.020 203 V CB 1.128 32.973 31.823 0.037 0.000 1.085 203 V HN 0.083 nan 8.190 nan 0.000 0.446 204 T N -2.135 112.419 114.554 0.000 0.000 3.023 204 T HA 0.046 4.396 4.350 -0.001 0.000 0.266 204 T C 0.759 175.462 174.700 0.004 0.000 1.093 204 T CA 1.402 63.498 62.100 -0.006 0.000 1.129 204 T CB -0.455 68.407 68.868 -0.010 0.000 0.899 204 T HN 0.704 nan 8.240 nan 0.000 0.491 205 N N 1.184 119.897 118.700 0.022 0.000 2.723 205 N HA 0.284 5.024 4.740 -0.001 0.000 0.290 205 N C -0.976 174.565 175.510 0.051 0.000 1.882 205 N CA -0.518 52.549 53.050 0.028 0.000 0.851 205 N CB 0.329 38.831 38.487 0.025 0.000 1.234 205 N HN 0.268 nan 8.380 nan 0.000 0.491 206 R N 1.167 121.701 120.500 0.057 0.000 2.537 206 R HA 0.234 4.573 4.340 -0.001 0.000 0.280 206 R C -1.878 174.470 176.300 0.079 0.000 1.058 206 R CA -1.100 55.065 56.100 0.108 0.000 1.057 206 R CB 0.221 30.579 30.300 0.095 0.000 0.973 206 R HN 0.363 nan 8.270 nan 0.000 0.438 207 P HA 0.023 nan 4.420 nan 0.000 0.268 207 P C -0.652 176.702 177.300 0.091 0.000 1.205 207 P CA 0.068 63.143 63.100 -0.041 0.000 0.771 207 P CB 0.641 32.136 31.700 -0.341 0.000 0.858 208 R N 0.549 121.087 120.500 0.064 0.000 2.643 208 R HA 0.087 4.427 4.340 -0.001 0.000 0.270 208 R C 1.978 178.368 176.300 0.149 0.000 1.061 208 R CA 0.406 56.575 56.100 0.114 0.000 1.107 208 R CB 0.033 30.373 30.300 0.068 0.000 0.999 208 R HN 0.566 nan 8.270 nan 0.000 0.460 209 T N 0.481 115.194 114.554 0.264 0.000 2.881 209 T HA -0.211 4.138 4.350 -0.001 0.000 0.270 209 T C 1.712 176.487 174.700 0.126 0.000 1.068 209 T CA 1.559 63.812 62.100 0.255 0.000 1.131 209 T CB -0.101 69.056 68.868 0.483 0.000 0.871 209 T HN 0.670 nan 8.240 nan 0.000 0.479 210 K N 0.946 121.412 120.400 0.109 0.000 2.127 210 K HA -0.214 4.106 4.320 -0.001 0.000 0.208 210 K C 1.974 178.596 176.600 0.038 0.000 1.047 210 K CA 2.085 58.414 56.287 0.069 0.000 0.927 210 K CB -0.282 32.253 32.500 0.059 0.000 0.716 210 K HN 0.593 nan 8.250 nan 0.000 0.450 211 E N 0.300 120.511 120.200 0.018 0.000 2.435 211 E HA -0.033 4.317 4.350 -0.001 0.000 0.195 211 E C 1.512 178.097 176.600 -0.024 0.000 1.029 211 E CA 0.976 57.372 56.400 -0.006 0.000 0.865 211 E CB 0.062 29.748 29.700 -0.023 0.000 0.833 211 E HN 0.664 nan 8.360 nan 0.000 0.510 212 I N -2.932 117.612 120.570 -0.042 0.000 4.225 212 I HA 0.264 4.434 4.170 -0.001 0.000 0.327 212 I C 1.865 177.969 176.117 -0.022 0.000 1.422 212 I CA -0.528 60.736 61.300 -0.061 0.000 1.150 212 I CB 0.290 38.169 38.000 -0.201 0.000 1.192 212 I HN -0.157 nan 8.210 nan 0.000 0.440 213 R N 2.295 122.803 120.500 0.012 0.000 2.133 213 R HA -0.181 4.158 4.340 -0.001 0.000 0.245 213 R C 2.112 178.435 176.300 0.038 0.000 1.137 213 R CA 2.669 58.794 56.100 0.041 0.000 0.947 213 R CB -0.658 29.671 30.300 0.050 0.000 0.865 213 R HN 0.537 nan 8.270 nan 0.000 0.437 214 G N -0.336 108.483 108.800 0.030 0.000 2.422 214 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 214 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 214 G C 1.008 175.932 174.900 0.039 0.000 1.146 214 G CA 1.043 46.162 45.100 0.032 0.000 0.769 214 G HN 0.484 nan 8.290 nan 0.000 0.547 215 N N 0.326 119.046 118.700 0.035 0.000 2.142 215 N HA -0.022 4.717 4.740 -0.001 0.000 0.186 215 N C 2.106 177.654 175.510 0.064 0.000 1.023 215 N CA 0.971 54.045 53.050 0.040 0.000 0.852 215 N CB -0.138 38.368 38.487 0.032 0.000 0.998 215 N HN 0.326 nan 8.380 nan 0.000 0.424 216 I N 0.963 121.561 120.570 0.048 0.000 2.142 216 I HA -0.248 3.922 4.170 -0.001 0.000 0.240 216 I C 2.251 178.460 176.117 0.153 0.000 1.078 216 I CA 1.152 62.511 61.300 0.098 0.000 1.343 216 I CB -0.242 37.795 38.000 0.062 0.000 1.046 216 I HN 0.110 nan 8.210 nan 0.000 0.405 217 R N 0.927 121.487 120.500 0.100 0.000 2.096 217 R HA -0.200 4.140 4.340 -0.001 0.000 0.240 217 R C 2.456 178.801 176.300 0.076 0.000 1.139 217 R CA 1.736 57.883 56.100 0.079 0.000 0.952 217 R CB -0.668 29.661 30.300 0.049 0.000 0.854 217 R HN 0.402 nan 8.270 nan 0.000 0.436 218 A N 0.516 123.383 122.820 0.079 0.000 1.902 218 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 218 A C 2.038 179.682 177.584 0.100 0.000 1.181 218 A CA 1.308 53.387 52.037 0.069 0.000 0.623 218 A CB -0.737 18.299 19.000 0.060 0.000 0.818 218 A HN 0.484 nan 8.150 nan 0.000 0.443 219 Y N 0.399 120.695 120.300 -0.006 0.000 2.181 219 Y HA -0.204 4.346 4.550 -0.001 0.000 0.288 219 Y C 2.508 178.415 175.900 0.013 0.000 1.146 219 Y CA 2.150 60.242 58.100 -0.013 0.000 1.164 219 Y CB -0.370 38.072 38.460 -0.030 0.000 0.982 219 Y HN 0.309 nan 8.280 nan 0.000 0.515 220 R N 0.767 121.272 120.500 0.007 0.000 2.073 220 R HA -0.212 4.128 4.340 -0.001 0.000 0.234 220 R C 2.471 178.719 176.300 -0.086 0.000 1.134 220 R CA 2.029 58.084 56.100 -0.075 0.000 0.952 220 R CB -0.374 29.960 30.300 0.057 0.000 0.850 220 R HN 0.375 nan 8.270 nan 0.000 0.433 221 K N 0.183 120.563 120.400 -0.033 0.000 2.057 221 K HA -0.213 4.106 4.320 -0.001 0.000 0.207 221 K C 1.657 178.229 176.600 -0.046 0.000 1.049 221 K CA 2.165 58.435 56.287 -0.028 0.000 0.931 221 K CB -0.225 32.271 32.500 -0.008 0.000 0.714 221 K HN 0.176 nan 8.250 nan 0.000 0.440 222 D N 0.126 120.488 120.400 -0.064 0.000 2.097 222 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 222 D C 1.955 178.203 176.300 -0.086 0.000 0.984 222 D CA 0.842 54.808 54.000 -0.057 0.000 0.826 222 D CB -0.011 40.766 40.800 -0.040 0.000 0.973 222 D HN 0.179 nan 8.370 nan 0.000 0.460 223 L N 0.566 121.672 121.223 -0.195 0.000 2.017 223 L HA 0.031 4.371 4.340 -0.001 0.000 0.208 223 L C 2.249 179.122 176.870 0.004 0.000 1.073 223 L CA 2.056 56.781 54.840 -0.192 0.000 0.745 223 L CB -1.051 40.763 42.059 -0.409 0.000 0.894 223 L HN 0.116 nan 8.230 nan 0.000 0.432 224 A N -1.361 121.458 122.820 -0.002 0.000 1.948 224 A HA -0.298 4.021 4.320 -0.001 0.000 0.220 224 A C 2.334 179.920 177.584 0.004 0.000 1.177 224 A CA 2.191 54.239 52.037 0.018 0.000 0.636 224 A CB -0.594 18.392 19.000 -0.024 0.000 0.815 224 A HN 0.670 nan 8.150 nan 0.000 0.449 225 Q N -1.802 117.986 119.800 -0.020 0.000 2.373 225 Q HA 0.002 4.342 4.340 -0.001 0.000 0.210 225 Q C 0.852 176.830 176.000 -0.038 0.000 0.913 225 Q CA 0.790 56.577 55.803 -0.027 0.000 0.911 225 Q CB 0.177 28.901 28.738 -0.023 0.000 1.040 225 Q HN 0.699 nan 8.270 nan 0.000 0.521 226 N N -0.604 118.058 118.700 -0.064 0.000 2.317 226 N HA 0.072 4.812 4.740 -0.001 0.000 0.199 226 N C 0.340 175.599 175.510 -0.419 0.000 1.145 226 N CA 0.435 53.426 53.050 -0.098 0.000 0.882 226 N CB 0.501 39.023 38.487 0.059 0.000 1.113 226 N HN 0.046 nan 8.380 nan 0.000 0.486 227 G N 1.842 110.307 108.800 -0.558 0.000 2.272 227 G HA2 0.223 4.183 3.960 -0.001 0.000 0.247 227 G HA3 0.223 4.183 3.960 -0.001 0.000 0.247 227 G C -0.012 174.540 174.900 -0.580 0.000 1.272 227 G CA 0.319 44.774 45.100 -1.076 0.000 0.921 227 G HN 0.372 nan 8.290 nan 0.000 0.495 228 E N 1.395 121.191 120.200 -0.675 0.000 2.401 228 E HA 0.295 4.644 4.350 -0.001 0.000 0.280 228 E C -1.790 174.681 176.600 -0.216 0.000 1.039 228 E CA -1.037 55.196 56.400 -0.279 0.000 0.814 228 E CB 0.816 30.435 29.700 -0.135 0.000 1.275 228 E HN 0.386 nan 8.360 nan 0.000 0.448 229 Y N 0.615 120.842 120.300 -0.122 0.000 2.320 229 Y HA 0.465 5.015 4.550 -0.001 0.000 0.324 229 Y C 0.321 176.202 175.900 -0.031 0.000 1.190 229 Y CA -0.190 57.869 58.100 -0.068 0.000 1.215 229 Y CB 2.133 40.480 38.460 -0.187 0.000 1.221 229 Y HN 0.400 nan 8.280 nan 0.000 0.486 230 S N 3.171 118.967 115.700 0.160 0.000 2.501 230 S HA 0.729 5.199 4.470 -0.001 0.000 0.301 230 S C -0.896 173.733 174.600 0.049 0.000 1.096 230 S CA -0.765 57.483 58.200 0.079 0.000 1.063 230 S CB 0.797 64.040 63.200 0.071 0.000 1.042 230 S HN 0.438 nan 8.310 nan 0.000 0.494 231 L N 2.400 123.628 121.223 0.008 0.000 2.323 231 L HA 0.560 4.899 4.340 -0.001 0.000 0.265 231 L C 0.883 177.750 176.870 -0.004 0.000 1.012 231 L CA -0.789 54.044 54.840 -0.013 0.000 0.820 231 L CB 1.556 43.586 42.059 -0.050 0.000 1.334 231 L HN 0.582 nan 8.230 nan 0.000 0.427 232 K N 0.043 120.442 120.400 -0.001 0.000 2.141 232 K HA 0.049 4.368 4.320 -0.001 0.000 0.202 232 K C 1.194 177.801 176.600 0.012 0.000 1.045 232 K CA 1.071 57.363 56.287 0.009 0.000 0.971 232 K CB 0.212 32.722 32.500 0.016 0.000 0.795 232 K HN 0.669 nan 8.250 nan 0.000 0.459 233 S N 0.568 116.277 115.700 0.014 0.000 2.575 233 S HA 0.360 4.830 4.470 -0.001 0.000 0.237 233 S C 0.448 175.065 174.600 0.028 0.000 0.975 233 S CA -0.751 57.465 58.200 0.026 0.000 0.960 233 S CB 0.264 63.491 63.200 0.044 0.000 0.822 233 S HN 0.220 nan 8.310 nan 0.000 0.472 234 A N 1.849 124.677 122.820 0.014 0.000 2.483 234 A HA 0.584 4.903 4.320 -0.001 0.000 0.238 234 A C 0.421 178.030 177.584 0.041 0.000 1.070 234 A CA -0.149 51.902 52.037 0.023 0.000 0.770 234 A CB 0.106 19.095 19.000 -0.018 0.000 1.008 234 A HN 1.229 nan 8.150 nan 0.000 0.497 235 V N -0.363 119.598 119.914 0.079 0.000 3.040 235 V HA 0.685 4.805 4.120 -0.001 0.000 0.312 235 V C -0.454 175.718 176.094 0.129 0.000 1.115 235 V CA -1.291 61.059 62.300 0.083 0.000 0.998 235 V CB 1.613 33.484 31.823 0.079 0.000 1.042 235 V HN 0.874 nan 8.190 nan 0.000 0.433 236 K N 2.262 122.723 120.400 0.102 0.000 2.154 236 K HA 0.666 4.986 4.320 -0.001 0.000 0.264 236 K C -0.212 176.463 176.600 0.124 0.000 1.008 236 K CA -0.585 55.780 56.287 0.130 0.000 0.937 236 K CB 0.770 33.313 32.500 0.071 0.000 1.002 236 K HN 0.767 nan 8.250 nan 0.000 0.469 237 L N 1.009 122.301 121.223 0.116 0.000 3.677 237 L HA -0.179 4.160 4.340 -0.001 0.000 0.464 237 L C -1.772 175.166 176.870 0.113 0.000 1.278 237 L CA -0.593 54.289 54.840 0.071 0.000 0.806 237 L CB -1.696 40.397 42.059 0.056 0.000 1.610 237 L HN 0.607 nan 8.230 nan 0.000 0.867 238 P HA 0.054 nan 4.420 nan 0.000 0.270 238 P C 0.009 177.353 177.300 0.073 0.000 1.223 238 P CA -0.074 63.090 63.100 0.107 0.000 0.785 238 P CB 0.542 32.309 31.700 0.112 0.000 0.923 239 N N 0.063 118.772 118.700 0.015 0.000 2.546 239 N HA 0.280 5.020 4.740 -0.001 0.000 0.286 239 N C -0.507 174.959 175.510 -0.073 0.000 1.259 239 N CA -0.015 53.013 53.050 -0.036 0.000 0.939 239 N CB 0.329 38.804 38.487 -0.020 0.000 1.243 239 N HN 0.173 nan 8.380 nan 0.000 0.511 240 V N 0.439 120.294 119.914 -0.099 0.000 3.147 240 V HA 0.257 4.377 4.120 -0.001 0.000 0.299 240 V C -1.055 174.949 176.094 -0.149 0.000 1.302 240 V CA -1.126 61.115 62.300 -0.099 0.000 1.015 240 V CB 2.457 34.261 31.823 -0.032 0.000 1.086 240 V HN 0.062 nan 8.190 nan 0.000 0.437 241 L N 5.372 126.511 121.223 -0.140 0.000 2.678 241 L HA 0.398 4.737 4.340 -0.001 0.000 0.285 241 L C 0.218 177.062 176.870 -0.042 0.000 1.233 241 L CA 1.817 56.587 54.840 -0.117 0.000 0.920 241 L CB -0.089 41.937 42.059 -0.055 0.000 1.176 241 L HN 1.098 nan 8.230 nan 0.000 0.495 242 S N 3.401 119.088 115.700 -0.020 0.000 2.643 242 S HA 0.799 5.269 4.470 -0.001 0.000 0.270 242 S C -0.956 173.784 174.600 0.232 0.000 1.166 242 S CA -0.509 57.753 58.200 0.103 0.000 0.815 242 S CB 1.389 64.680 63.200 0.151 0.000 1.139 242 S HN 0.789 nan 8.310 nan 0.000 0.472 243 V N 0.205 120.299 119.914 0.299 0.000 2.925 243 V HA 0.871 4.991 4.120 -0.001 0.000 0.311 243 V C -1.180 174.979 176.094 0.108 0.000 1.104 243 V CA -0.243 62.192 62.300 0.226 0.000 0.954 243 V CB 2.263 34.086 31.823 -0.001 0.000 1.022 243 V HN 1.144 nan 8.190 nan 0.000 0.427 244 S N 6.468 122.118 115.700 -0.084 0.000 2.756 244 S HA 0.659 5.129 4.470 -0.001 0.000 0.303 244 S C -2.958 171.441 174.600 -0.335 0.000 1.135 244 S CA -1.173 56.798 58.200 -0.381 0.000 1.066 244 S CB 1.903 64.609 63.200 -0.822 0.000 1.008 244 S HN 0.714 nan 8.310 nan 0.000 0.482 245 P HA 0.430 nan 4.420 nan 0.000 0.286 245 P C -1.223 175.849 177.300 -0.381 0.000 1.269 245 P CA -0.449 62.313 63.100 -0.563 0.000 0.787 245 P CB 0.760 31.929 31.700 -0.885 0.000 0.920 246 L N 3.595 124.640 121.223 -0.296 0.000 2.370 246 L HA 0.630 4.970 4.340 -0.001 0.000 0.266 246 L C -0.381 176.559 176.870 0.116 0.000 1.002 246 L CA -0.939 53.863 54.840 -0.063 0.000 0.818 246 L CB 1.946 43.922 42.059 -0.139 0.000 1.325 246 L HN 0.280 nan 8.230 nan 0.000 0.418 247 F N 0.548 120.465 119.950 -0.055 0.000 2.576 247 F HA 0.889 5.416 4.527 -0.001 0.000 0.313 247 F C -0.175 175.550 175.800 -0.126 0.000 1.078 247 F CA -0.543 57.396 58.000 -0.101 0.000 0.921 247 F CB 2.336 41.178 39.000 -0.263 0.000 1.232 247 F HN 0.381 nan 8.300 nan 0.000 0.459 248 G N 4.010 112.140 108.800 -1.117 0.000 2.733 248 G HA2 0.610 4.570 3.960 -0.001 0.000 0.297 248 G HA3 0.610 4.570 3.960 -0.001 0.000 0.297 248 G C -2.876 171.376 174.900 -1.079 0.000 1.422 248 G CA -0.763 43.759 45.100 -0.963 0.000 0.942 248 G HN 0.928 nan 8.290 nan 0.000 0.510 249 L N 1.065 121.887 121.223 -0.669 0.000 2.562 249 L HA 0.793 5.132 4.340 -0.001 0.000 0.266 249 L C 0.080 176.829 176.870 -0.202 0.000 0.949 249 L CA 1.095 55.720 54.840 -0.359 0.000 0.879 249 L CB 1.484 43.422 42.059 -0.202 0.000 1.278 249 L HN 2.334 nan 8.230 nan 0.000 0.404 250 G N 2.878 111.588 108.800 -0.150 0.000 2.612 250 G HA2 0.331 4.290 3.960 -0.001 0.000 0.686 250 G HA3 0.331 4.290 3.960 -0.001 0.000 0.686 250 G C 0.307 175.134 174.900 -0.122 0.000 1.274 250 G CA -0.272 44.772 45.100 -0.094 0.000 0.849 250 G HN 1.569 nan 8.290 nan 0.000 0.595 251 A N -0.197 122.587 122.820 -0.062 0.000 1.970 251 A HA 0.528 4.848 4.320 -0.001 0.000 0.216 251 A C 1.568 179.117 177.584 -0.059 0.000 1.170 251 A CA 2.252 54.264 52.037 -0.041 0.000 0.645 251 A CB -0.126 18.884 19.000 0.016 0.000 0.816 251 A HN 1.697 nan 8.150 nan 0.000 0.447 252 S N -1.358 114.305 115.700 -0.061 0.000 2.475 252 S HA 0.513 4.983 4.470 -0.001 0.000 0.298 252 S C 0.802 175.357 174.600 -0.076 0.000 1.119 252 S CA 0.007 58.175 58.200 -0.054 0.000 1.085 252 S CB 1.423 64.603 63.200 -0.034 0.000 1.028 252 S HN 1.453 nan 8.310 nan 0.000 0.489 253 G N 2.756 111.511 108.800 -0.075 0.000 2.249 253 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.273 253 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.273 253 G C -0.092 174.736 174.900 -0.120 0.000 1.036 253 G CA -0.143 44.908 45.100 -0.082 0.000 0.824 253 G HN 0.654 nan 8.290 nan 0.000 0.504 254 N N 0.460 119.059 118.700 -0.169 0.000 2.415 254 N HA 0.205 4.945 4.740 -0.001 0.000 0.246 254 N C 1.215 176.580 175.510 -0.241 0.000 1.078 254 N CA 0.333 53.234 53.050 -0.249 0.000 0.942 254 N CB 0.779 39.053 38.487 -0.356 0.000 1.140 254 N HN 0.626 nan 8.380 nan 0.000 0.501 255 E N 3.415 123.494 120.200 -0.202 0.000 2.072 255 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 255 E C 1.600 178.082 176.600 -0.198 0.000 0.985 255 E CA 0.703 57.003 56.400 -0.166 0.000 0.801 255 E CB 0.095 29.725 29.700 -0.118 0.000 0.750 255 E HN 0.556 nan 8.360 nan 0.000 0.452 256 L N 1.607 122.683 121.223 -0.244 0.000 2.012 256 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 256 L C 1.677 178.364 176.870 -0.305 0.000 1.073 256 L CA 1.877 56.566 54.840 -0.252 0.000 0.748 256 L CB -0.620 41.277 42.059 -0.270 0.000 0.891 256 L HN 0.125 nan 8.230 nan 0.000 0.431 257 N N -0.650 117.772 118.700 -0.463 0.000 2.188 257 N HA -0.173 4.566 4.740 -0.001 0.000 0.184 257 N C 1.891 177.251 175.510 -0.251 0.000 1.018 257 N CA 1.182 53.850 53.050 -0.637 0.000 0.858 257 N CB -0.250 37.496 38.487 -1.235 0.000 0.989 257 N HN 0.449 nan 8.380 nan 0.000 0.426 258 Q N 0.289 119.971 119.800 -0.197 0.000 2.084 258 Q HA -0.021 4.319 4.340 -0.001 0.000 0.202 258 Q C 2.052 178.006 176.000 -0.076 0.000 0.978 258 Q CA 0.934 56.680 55.803 -0.094 0.000 0.844 258 Q CB -0.180 28.500 28.738 -0.097 0.000 0.898 258 Q HN 0.107 nan 8.270 nan 0.000 0.426 259 V N 0.348 120.196 119.914 -0.110 0.000 2.343 259 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 259 V C 2.005 178.062 176.094 -0.061 0.000 1.051 259 V CA 1.693 63.931 62.300 -0.103 0.000 1.036 259 V CB -0.480 31.265 31.823 -0.130 0.000 0.654 259 V HN 0.378 nan 8.190 nan 0.000 0.451 260 I N -0.191 120.355 120.570 -0.040 0.000 2.179 260 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 260 I C 2.538 178.666 176.117 0.018 0.000 1.088 260 I CA 1.797 63.120 61.300 0.039 0.000 1.357 260 I CB -0.482 37.577 38.000 0.099 0.000 1.051 260 I HN 0.358 nan 8.210 nan 0.000 0.409 261 E N 0.730 120.941 120.200 0.019 0.000 2.097 261 E HA -0.257 4.092 4.350 -0.001 0.000 0.196 261 E C 1.757 178.387 176.600 0.050 0.000 1.000 261 E CA 1.618 58.014 56.400 -0.006 0.000 0.804 261 E CB -0.097 29.641 29.700 0.063 0.000 0.740 261 E HN 0.468 nan 8.360 nan 0.000 0.454 262 D N 0.428 120.846 120.400 0.029 0.000 2.117 262 D HA -0.102 4.537 4.640 -0.001 0.000 0.198 262 D C 2.093 178.410 176.300 0.028 0.000 0.982 262 D CA 0.632 54.642 54.000 0.016 0.000 0.828 262 D CB -0.213 40.569 40.800 -0.030 0.000 0.967 262 D HN 0.132 nan 8.370 nan 0.000 0.464 263 L N -0.158 121.080 121.223 0.025 0.000 1.990 263 L HA -0.212 4.127 4.340 -0.001 0.000 0.213 263 L C 2.489 179.460 176.870 0.168 0.000 1.072 263 L CA 1.210 56.070 54.840 0.035 0.000 0.755 263 L CB -0.576 41.515 42.059 0.053 0.000 0.889 263 L HN 0.017 nan 8.230 nan 0.000 0.432 264 F N -0.226 119.704 119.950 -0.033 0.000 2.095 264 F HA -0.292 4.234 4.527 -0.001 0.000 0.298 264 F C 2.404 178.187 175.800 -0.028 0.000 1.104 264 F CA 1.084 59.064 58.000 -0.034 0.000 1.232 264 F CB -0.290 38.678 39.000 -0.054 0.000 0.987 264 F HN -0.008 nan 8.300 nan 0.000 0.475 265 L N -0.748 120.582 121.223 0.180 0.000 2.141 265 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 265 L C 1.941 178.845 176.870 0.058 0.000 1.094 265 L CA 0.884 55.779 54.840 0.092 0.000 0.763 265 L CB -0.419 41.683 42.059 0.072 0.000 0.908 265 L HN 0.157 nan 8.230 nan 0.000 0.437 266 Q N -0.213 119.621 119.800 0.057 0.000 2.280 266 Q HA 0.148 4.487 4.340 -0.001 0.000 0.201 266 Q C 0.055 176.096 176.000 0.067 0.000 0.890 266 Q CA -0.049 55.788 55.803 0.056 0.000 0.947 266 Q CB 0.295 29.066 28.738 0.054 0.000 1.081 266 Q HN 0.193 nan 8.270 nan 0.000 0.502 267 V N 2.571 122.509 119.914 0.041 0.000 2.644 267 V HA -0.125 3.994 4.120 -0.001 0.000 0.305 267 V C 1.373 177.482 176.094 0.025 0.000 1.053 267 V CA 0.688 63.003 62.300 0.025 0.000 1.186 267 V CB 0.724 32.524 31.823 -0.038 0.000 0.895 267 V HN 0.284 nan 8.190 nan 0.000 0.490 268 Q N 3.646 123.467 119.800 0.035 0.000 2.304 268 Q HA 0.121 4.461 4.340 -0.001 0.000 0.204 268 Q C 1.395 177.398 176.000 0.006 0.000 0.936 268 Q CA 0.876 56.694 55.803 0.024 0.000 0.878 268 Q CB 0.292 29.050 28.738 0.034 0.000 0.983 268 Q HN 0.682 nan 8.270 nan 0.000 0.516 269 K N 0.574 120.975 120.400 0.002 0.000 2.494 269 K HA 0.192 4.512 4.320 -0.001 0.000 0.201 269 K C 0.594 177.180 176.600 -0.023 0.000 1.338 269 K CA 0.447 56.728 56.287 -0.011 0.000 0.935 269 K CB 1.101 33.595 32.500 -0.009 0.000 1.514 269 K HN 0.130 nan 8.250 nan 0.000 0.490 270 K N 0.627 121.015 120.400 -0.020 0.000 2.527 270 K HA 0.462 4.782 4.320 -0.001 0.000 0.260 270 K C -1.381 175.198 176.600 -0.036 0.000 0.937 270 K CA -0.743 55.523 56.287 -0.035 0.000 0.826 270 K CB 2.140 34.618 32.500 -0.037 0.000 1.359 270 K HN -0.047 nan 8.250 nan 0.000 0.434 271 L N 3.085 124.265 121.223 -0.071 0.000 2.385 271 L HA 0.560 4.900 4.340 -0.001 0.000 0.273 271 L C -1.501 175.334 176.870 -0.059 0.000 0.990 271 L CA -1.076 53.704 54.840 -0.100 0.000 0.821 271 L CB 2.127 44.031 42.059 -0.260 0.000 1.279 271 L HN 0.611 nan 8.230 nan 0.000 0.412 272 V N 5.445 125.382 119.914 0.040 0.000 2.540 272 V HA 0.544 4.664 4.120 -0.001 0.000 0.302 272 V C -0.306 175.962 176.094 0.291 0.000 1.035 272 V CA -0.622 61.726 62.300 0.081 0.000 0.873 272 V CB 2.070 33.825 31.823 -0.113 0.000 0.992 272 V HN 0.439 nan 8.190 nan 0.000 0.428 273 I N 3.065 123.783 120.570 0.247 0.000 2.498 273 I HA 0.452 4.621 4.170 -0.001 0.000 0.290 273 I C -0.341 175.996 176.117 0.367 0.000 1.032 273 I CA -0.367 61.132 61.300 0.331 0.000 1.073 273 I CB 1.662 39.842 38.000 0.300 0.000 1.251 273 I HN 0.545 nan 8.210 nan 0.000 0.426 274 C N 3.890 123.429 119.300 0.398 0.000 2.329 274 C HA 0.744 5.203 4.460 -0.001 0.000 0.329 274 C C 0.742 175.830 174.990 0.164 0.000 1.275 274 C CA -0.253 58.940 59.018 0.290 0.000 1.726 274 C CB 1.347 29.237 27.740 0.250 0.000 2.291 274 C HN 0.876 nan 8.230 nan 0.000 0.514 275 T N 3.431 118.067 114.554 0.137 0.000 2.933 275 T HA 0.462 4.811 4.350 -0.001 0.000 0.305 275 T C -2.270 172.395 174.700 -0.060 0.000 1.092 275 T CA -1.168 60.909 62.100 -0.037 0.000 1.008 275 T CB 1.871 70.638 68.868 -0.168 0.000 1.102 275 T HN 0.363 nan 8.240 nan 0.000 0.469 276 P HA 0.167 nan 4.420 nan 0.000 0.227 276 P C -0.890 175.909 177.300 -0.835 0.000 1.161 276 P CA 0.684 63.451 63.100 -0.556 0.000 0.788 276 P CB 0.006 31.124 31.700 -0.969 0.000 0.822 277 Y N -2.393 117.799 120.300 -0.179 0.000 2.421 277 Y HA 0.418 4.968 4.550 -0.001 0.000 0.339 277 Y C -0.394 175.243 175.900 -0.440 0.000 0.996 277 Y CA -1.522 56.317 58.100 -0.436 0.000 1.046 277 Y CB 0.611 38.515 38.460 -0.927 0.000 1.226 277 Y HN -0.294 nan 8.280 nan 0.000 0.445 278 F N 4.333 124.101 119.950 -0.304 0.000 2.556 278 F HA 0.280 4.807 4.527 -0.001 0.000 0.344 278 F C 0.170 175.807 175.800 -0.272 0.000 1.255 278 F CA 0.238 58.039 58.000 -0.332 0.000 1.091 278 F CB -0.043 38.870 39.000 -0.146 0.000 1.325 278 F HN 0.612 nan 8.300 nan 0.000 0.627 279 N N 5.367 123.586 118.700 -0.803 0.000 2.679 279 N HA 0.104 4.843 4.740 -0.001 0.000 0.240 279 N C -1.393 173.833 175.510 -0.473 0.000 1.537 279 N CA -0.374 52.426 53.050 -0.417 0.000 0.793 279 N CB -0.313 38.094 38.487 -0.134 0.000 1.391 279 N HN 0.120 nan 8.380 nan 0.000 0.524 280 F N 1.544 121.217 119.950 -0.462 0.000 2.518 280 F HA 0.346 4.873 4.527 -0.001 0.000 0.359 280 F C -1.250 174.353 175.800 -0.328 0.000 1.118 280 F CA -1.290 56.466 58.000 -0.406 0.000 1.287 280 F CB 0.205 38.938 39.000 -0.445 0.000 1.132 280 F HN 0.197 nan 8.300 nan 0.000 0.587 281 P HA 0.142 nan 4.420 nan 0.000 0.272 281 P C 0.465 177.602 177.300 -0.271 0.000 1.230 281 P CA -0.087 62.819 63.100 -0.324 0.000 0.788 281 P CB 0.401 31.662 31.700 -0.732 0.000 0.949 282 R N 1.211 121.603 120.500 -0.180 0.000 2.091 282 R HA -0.168 4.171 4.340 -0.001 0.000 0.238 282 R C 2.342 178.567 176.300 -0.124 0.000 1.136 282 R CA 2.736 58.777 56.100 -0.098 0.000 0.959 282 R CB -2.434 27.832 30.300 -0.058 0.000 0.856 282 R HN 0.652 nan 8.270 nan 0.000 0.437 283 T N 0.383 114.803 114.554 -0.223 0.000 2.699 283 T HA -0.087 4.262 4.350 -0.001 0.000 0.268 283 T C 1.967 176.545 174.700 -0.203 0.000 1.036 283 T CA 1.743 63.733 62.100 -0.184 0.000 1.147 283 T CB -0.301 68.463 68.868 -0.173 0.000 0.862 283 T HN 0.475 nan 8.240 nan 0.000 0.446 284 L N -0.008 120.971 121.223 -0.406 0.000 2.179 284 L HA 0.025 4.364 4.340 -0.001 0.000 0.208 284 L C 2.945 179.681 176.870 -0.223 0.000 1.096 284 L CA 0.927 55.492 54.840 -0.457 0.000 0.779 284 L CB -0.555 41.036 42.059 -0.778 0.000 0.922 284 L HN 0.318 nan 8.230 nan 0.000 0.443 285 Q N -0.456 119.271 119.800 -0.122 0.000 2.061 285 Q HA -0.286 4.054 4.340 -0.001 0.000 0.204 285 Q C 2.150 178.241 176.000 0.151 0.000 0.984 285 Q CA 2.131 57.966 55.803 0.055 0.000 0.846 285 Q CB -0.257 28.558 28.738 0.128 0.000 0.902 285 Q HN 0.502 nan 8.270 nan 0.000 0.421 286 H N 0.687 119.773 119.070 0.027 0.000 2.321 286 H HA -0.062 4.494 4.556 -0.001 0.000 0.300 286 H C 1.687 177.047 175.328 0.053 0.000 1.087 286 H CA 1.767 57.847 56.048 0.053 0.000 1.319 286 H CB 0.251 30.023 29.762 0.018 0.000 1.379 286 H HN 0.016 nan 8.280 nan 0.000 0.501 287 K N -0.205 120.223 120.400 0.047 0.000 2.097 287 K HA -0.069 4.251 4.320 -0.001 0.000 0.206 287 K C 2.271 178.889 176.600 0.030 0.000 1.049 287 K CA 1.525 57.829 56.287 0.028 0.000 0.933 287 K CB -0.015 32.558 32.500 0.121 0.000 0.717 287 K HN 0.314 nan 8.250 nan 0.000 0.442 288 I N 0.874 121.474 120.570 0.049 0.000 2.315 288 I HA -0.274 3.896 4.170 -0.001 0.000 0.248 288 I C 2.409 178.447 176.117 -0.132 0.000 1.117 288 I CA 0.972 62.248 61.300 -0.041 0.000 1.404 288 I CB -0.269 37.706 38.000 -0.041 0.000 1.071 288 I HN 0.160 nan 8.210 nan 0.000 0.419 289 A N 0.168 122.969 122.820 -0.032 0.000 1.908 289 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 289 A C 2.376 179.932 177.584 -0.047 0.000 1.181 289 A CA 2.498 54.562 52.037 0.045 0.000 0.627 289 A CB -1.092 18.067 19.000 0.265 0.000 0.818 289 A HN 0.380 nan 8.150 nan 0.000 0.445 290 T N 0.473 114.956 114.554 -0.118 0.000 2.746 290 T HA -0.074 4.276 4.350 -0.001 0.000 0.267 290 T C 1.815 176.467 174.700 -0.080 0.000 1.039 290 T CA 1.424 63.451 62.100 -0.121 0.000 1.142 290 T CB -0.383 68.381 68.868 -0.174 0.000 0.866 290 T HN 0.373 nan 8.240 nan 0.000 0.444 291 L N 0.382 121.553 121.223 -0.087 0.000 2.046 291 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 291 L C 2.489 179.300 176.870 -0.099 0.000 1.077 291 L CA 1.201 55.989 54.840 -0.087 0.000 0.747 291 L CB -0.615 41.379 42.059 -0.109 0.000 0.896 291 L HN 0.262 nan 8.230 nan 0.000 0.432 292 L N 0.042 121.175 121.223 -0.150 0.000 2.056 292 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 292 L C 3.026 179.860 176.870 -0.060 0.000 1.078 292 L CA 1.574 56.319 54.840 -0.160 0.000 0.749 292 L CB -0.969 40.869 42.059 -0.369 0.000 0.901 292 L HN 0.344 nan 8.230 nan 0.000 0.433 293 E N -0.250 119.935 120.200 -0.026 0.000 2.472 293 E HA -0.142 4.207 4.350 -0.001 0.000 0.200 293 E C 1.268 177.864 176.600 -0.006 0.000 1.046 293 E CA 1.000 57.407 56.400 0.011 0.000 0.871 293 E CB -0.505 29.210 29.700 0.026 0.000 0.806 293 E HN 0.467 nan 8.360 nan 0.000 0.533 294 N N -1.176 117.510 118.700 -0.023 0.000 2.238 294 N HA 0.276 5.016 4.740 -0.001 0.000 0.235 294 N C 1.032 176.530 175.510 -0.020 0.000 1.209 294 N CA 0.594 53.633 53.050 -0.018 0.000 0.879 294 N CB 1.240 39.715 38.487 -0.020 0.000 1.136 294 N HN 0.466 nan 8.380 nan 0.000 0.517 295 G N 0.697 109.483 108.800 -0.023 0.000 2.148 295 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.254 295 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.254 295 G C -0.029 174.853 174.900 -0.030 0.000 0.981 295 G CA 0.135 45.221 45.100 -0.022 0.000 0.670 295 G HN 0.114 nan 8.290 nan 0.000 0.528 296 K N 0.504 120.879 120.400 -0.042 0.000 2.185 296 K HA 0.444 4.763 4.320 -0.001 0.000 0.271 296 K C 0.857 177.421 176.600 -0.059 0.000 1.013 296 K CA -0.459 55.799 56.287 -0.048 0.000 0.943 296 K CB 0.812 33.277 32.500 -0.058 0.000 0.998 296 K HN 0.415 nan 8.250 nan 0.000 0.468 297 R N 0.677 121.145 120.500 -0.053 0.000 2.357 297 R HA 0.369 4.709 4.340 -0.001 0.000 0.296 297 R C -0.381 175.877 176.300 -0.071 0.000 1.052 297 R CA -0.598 55.469 56.100 -0.055 0.000 0.988 297 R CB 0.806 31.081 30.300 -0.042 0.000 1.025 297 R HN 0.202 nan 8.270 nan 0.000 0.469 298 V N 2.293 122.167 119.914 -0.066 0.000 2.531 298 V HA 0.243 4.363 4.120 -0.001 0.000 0.301 298 V C -0.402 175.682 176.094 -0.018 0.000 1.034 298 V CA -0.756 61.505 62.300 -0.065 0.000 0.865 298 V CB 1.686 33.459 31.823 -0.083 0.000 0.995 298 V HN 0.771 nan 8.190 nan 0.000 0.424 299 E N 5.012 125.204 120.200 -0.013 0.000 2.165 299 E HA 0.649 4.998 4.350 -0.001 0.000 0.266 299 E C -1.508 175.132 176.600 0.067 0.000 0.889 299 E CA -0.579 55.831 56.400 0.017 0.000 0.756 299 E CB 1.516 31.199 29.700 -0.028 0.000 1.131 299 E HN 0.681 nan 8.360 nan 0.000 0.411 300 I N 5.833 126.478 120.570 0.125 0.000 2.433 300 I HA 0.378 4.548 4.170 -0.001 0.000 0.292 300 I C -0.396 175.818 176.117 0.162 0.000 1.001 300 I CA -0.847 60.572 61.300 0.199 0.000 1.119 300 I CB 1.646 39.830 38.000 0.307 0.000 1.289 300 I HN 0.504 nan 8.210 nan 0.000 0.438 301 I N 7.375 128.053 120.570 0.181 0.000 2.411 301 I HA 0.429 4.598 4.170 -0.001 0.000 0.284 301 I C -0.326 175.857 176.117 0.111 0.000 1.012 301 I CA -0.752 60.633 61.300 0.141 0.000 1.119 301 I CB 1.468 39.576 38.000 0.180 0.000 1.261 301 I HN 0.290 nan 8.210 nan 0.000 0.448 302 V N 2.061 121.934 119.914 -0.069 0.000 3.126 302 V HA 0.868 4.988 4.120 -0.001 0.000 0.314 302 V C 0.402 176.118 176.094 -0.630 0.000 1.138 302 V CA -0.842 61.314 62.300 -0.241 0.000 1.034 302 V CB 1.496 33.301 31.823 -0.030 0.000 1.075 302 V HN 0.688 nan 8.190 nan 0.000 0.442 303 G N 0.100 108.499 108.800 -0.669 0.000 2.432 303 G HA2 0.390 4.350 3.960 -0.001 0.000 0.257 303 G HA3 0.390 4.350 3.960 -0.001 0.000 0.257 303 G C -0.417 174.421 174.900 -0.103 0.000 1.238 303 G CA 0.028 44.906 45.100 -0.369 0.000 0.838 303 G HN 1.049 nan 8.290 nan 0.000 0.547 304 D N 0.581 120.952 120.400 -0.049 0.000 2.390 304 D HA 0.002 4.641 4.640 -0.001 0.000 0.236 304 D C 1.722 177.976 176.300 -0.076 0.000 1.189 304 D CA 0.136 54.095 54.000 -0.069 0.000 0.887 304 D CB 0.682 41.421 40.800 -0.102 0.000 1.198 304 D HN 0.358 nan 8.370 nan 0.000 0.444 305 K N 1.013 121.327 120.400 -0.144 0.000 2.107 305 K HA -0.194 4.126 4.320 -0.001 0.000 0.211 305 K C 1.846 178.227 176.600 -0.366 0.000 1.049 305 K CA 1.256 57.407 56.287 -0.226 0.000 0.927 305 K CB -0.241 32.000 32.500 -0.431 0.000 0.714 305 K HN 0.307 nan 8.250 nan 0.000 0.452 306 V N 0.830 120.417 119.914 -0.544 0.000 2.626 306 V HA -0.173 3.947 4.120 -0.001 0.000 0.252 306 V C 1.872 177.847 176.094 -0.198 0.000 1.067 306 V CA 1.784 63.682 62.300 -0.669 0.000 1.081 306 V CB -0.422 31.101 31.823 -0.501 0.000 0.686 306 V HN 0.336 nan 8.190 nan 0.000 0.468 307 A N -0.114 122.685 122.820 -0.034 0.000 2.327 307 A HA 0.131 4.451 4.320 -0.001 0.000 0.228 307 A C 0.908 178.601 177.584 0.182 0.000 1.275 307 A CA 0.002 52.137 52.037 0.162 0.000 0.875 307 A CB -0.503 18.736 19.000 0.398 0.000 0.925 307 A HN 0.483 nan 8.150 nan 0.000 0.493 308 N N 0.798 119.596 118.700 0.163 0.000 2.421 308 N HA 0.109 4.849 4.740 -0.001 0.000 0.285 308 N C -0.328 175.326 175.510 0.241 0.000 1.027 308 N CA -0.005 53.209 53.050 0.273 0.000 0.918 308 N CB 1.469 40.182 38.487 0.378 0.000 1.152 308 N HN 0.263 nan 8.380 nan 0.000 0.485 309 D N 2.365 122.854 120.400 0.149 0.000 2.363 309 D HA -0.076 4.564 4.640 -0.001 0.000 0.220 309 D C 0.879 177.114 176.300 -0.107 0.000 0.994 309 D CA 0.675 54.659 54.000 -0.026 0.000 0.890 309 D CB -0.376 40.330 40.800 -0.157 0.000 0.906 309 D HN 0.411 nan 8.370 nan 0.000 0.530 310 F N -0.372 119.698 119.950 0.199 0.000 2.789 310 F HA 0.168 4.694 4.527 -0.001 0.000 0.300 310 F C 0.705 176.610 175.800 0.175 0.000 1.132 310 F CA -0.651 57.440 58.000 0.153 0.000 1.404 310 F CB -0.684 38.404 39.000 0.148 0.000 1.114 310 F HN -0.133 nan 8.300 nan 0.000 0.584 311 Y N 1.848 122.290 120.300 0.237 0.000 2.511 311 Y HA 0.310 4.860 4.550 -0.000 0.000 0.332 311 Y C -0.164 175.826 175.900 0.150 0.000 1.177 311 Y CA -0.349 57.864 58.100 0.188 0.000 1.422 311 Y CB 0.240 38.772 38.460 0.121 0.000 1.271 311 Y HN -0.116 nan 8.280 nan 0.000 0.550 312 I N 8.942 129.213 120.570 -0.498 0.000 2.439 312 I HA 0.294 4.463 4.170 -0.001 0.000 0.285 312 I C -2.337 173.374 176.117 -0.676 0.000 1.021 312 I CA -2.384 58.695 61.300 -0.368 0.000 1.091 312 I CB 1.616 39.536 38.000 -0.133 0.000 1.242 312 I HN 0.536 nan 8.210 nan 0.000 0.439 313 P HA 0.028 nan 4.420 nan 0.000 0.264 313 P C -2.033 175.213 177.300 -0.090 0.000 1.183 313 P CA -0.760 62.237 63.100 -0.171 0.000 0.763 313 P CB 0.021 31.747 31.700 0.043 0.000 0.807 314 P HA -0.188 nan 4.420 nan 0.000 0.224 314 P C 1.343 178.657 177.300 0.023 0.000 1.142 314 P CA 1.751 64.867 63.100 0.026 0.000 0.778 314 P CB -0.298 31.448 31.700 0.076 0.000 0.764 315 E N -0.272 119.944 120.200 0.027 0.000 2.170 315 E HA -0.087 4.263 4.350 -0.001 0.000 0.191 315 E C 1.144 177.754 176.600 0.017 0.000 0.981 315 E CA 0.629 57.044 56.400 0.024 0.000 0.830 315 E CB -0.823 28.895 29.700 0.029 0.000 0.775 315 E HN 0.409 nan 8.360 nan 0.000 0.470 316 Q N 0.344 120.151 119.800 0.012 0.000 2.312 316 Q HA 0.304 4.644 4.340 -0.001 0.000 0.236 316 Q C -2.229 173.786 176.000 0.025 0.000 0.965 316 Q CA -2.085 53.723 55.803 0.009 0.000 0.894 316 Q CB 1.043 29.777 28.738 -0.006 0.000 1.225 316 Q HN 0.256 nan 8.270 nan 0.000 0.478 317 P HA -0.076 nan 4.420 nan 0.000 0.267 317 P C -0.894 176.443 177.300 0.063 0.000 1.209 317 P CA 0.195 63.319 63.100 0.041 0.000 0.763 317 P CB 0.161 31.869 31.700 0.014 0.000 0.816 318 F N 4.914 124.832 119.950 -0.055 0.000 2.538 318 F HA 0.133 4.660 4.527 -0.001 0.000 0.371 318 F C 0.551 176.325 175.800 -0.045 0.000 1.087 318 F CA 0.555 58.517 58.000 -0.064 0.000 1.250 318 F CB 0.431 39.382 39.000 -0.083 0.000 1.110 318 F HN 0.144 nan 8.300 nan 0.000 0.570 322 G N 0.485 109.200 108.800 -0.141 0.000 2.527 322 G HA2 0.159 4.118 3.960 -0.001 0.000 0.219 322 G HA3 0.159 4.118 3.960 -0.001 0.000 0.219 322 G C 1.314 176.444 174.900 0.383 0.000 1.117 322 G CA 1.506 46.650 45.100 0.073 0.000 0.759 322 G HN 1.239 nan 8.290 nan 0.000 0.556 323 A N 0.103 123.119 122.820 0.326 0.000 2.119 323 A HA 0.307 4.626 4.320 -0.001 0.000 0.216 323 A C 2.271 179.987 177.584 0.220 0.000 1.152 323 A CA 0.387 52.624 52.037 0.332 0.000 0.708 323 A CB -0.159 18.996 19.000 0.257 0.000 0.805 323 A HN 0.354 nan 8.150 nan 0.000 0.460 324 L N -0.171 121.101 121.223 0.083 0.000 2.012 324 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 324 L C -0.493 176.344 176.870 -0.055 0.000 1.073 324 L CA 1.710 56.478 54.840 -0.120 0.000 0.748 324 L CB -1.251 40.634 42.059 -0.289 0.000 0.891 324 L HN 0.236 nan 8.230 nan 0.000 0.431 325 P HA -0.191 nan 4.420 nan 0.000 0.218 325 P C 1.129 178.455 177.300 0.043 0.000 1.148 325 P CA 1.529 64.763 63.100 0.224 0.000 0.822 325 P CB -0.065 31.758 31.700 0.204 0.000 0.784 326 Y N -1.137 119.169 120.300 0.009 0.000 2.242 326 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 326 Y C 2.355 178.271 175.900 0.026 0.000 1.137 326 Y CA 0.559 58.577 58.100 -0.137 0.000 1.181 326 Y CB -1.175 37.006 38.460 -0.465 0.000 0.989 326 Y HN -0.149 nan 8.280 nan 0.000 0.527 327 L N -1.108 120.189 121.223 0.125 0.000 2.083 327 L HA -0.256 4.083 4.340 -0.001 0.000 0.209 327 L C 1.851 178.768 176.870 0.079 0.000 1.083 327 L CA 1.720 56.587 54.840 0.044 0.000 0.752 327 L CB -0.630 41.352 42.059 -0.129 0.000 0.899 327 L HN 0.164 nan 8.230 nan 0.000 0.433 328 Y N -0.185 120.228 120.300 0.188 0.000 2.293 328 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 328 Y C 2.642 178.657 175.900 0.192 0.000 1.137 328 Y CA 1.318 59.539 58.100 0.202 0.000 1.202 328 Y CB -0.651 37.941 38.460 0.220 0.000 0.990 328 Y HN 0.390 nan 8.280 nan 0.000 0.537 329 E N 0.120 120.491 120.200 0.284 0.000 2.047 329 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 329 E C 2.137 178.883 176.600 0.243 0.000 0.987 329 E CA 1.573 58.098 56.400 0.209 0.000 0.799 329 E CB 0.036 29.823 29.700 0.145 0.000 0.752 329 E HN 0.467 nan 8.360 nan 0.000 0.449 330 S N 0.765 116.649 115.700 0.307 0.000 2.399 330 S HA -0.164 4.306 4.470 -0.001 0.000 0.231 330 S C 1.714 176.455 174.600 0.235 0.000 1.022 330 S CA 1.143 59.506 58.200 0.273 0.000 0.983 330 S CB -0.470 62.902 63.200 0.286 0.000 0.803 330 S HN 0.230 nan 8.310 nan 0.000 0.480 331 N N 1.763 120.633 118.700 0.283 0.000 2.025 331 N HA -0.072 4.668 4.740 -0.001 0.000 0.194 331 N C 1.649 177.372 175.510 0.354 0.000 1.044 331 N CA 1.226 54.488 53.050 0.354 0.000 0.851 331 N CB -0.676 38.089 38.487 0.462 0.000 1.036 331 N HN 0.322 nan 8.380 nan 0.000 0.422 332 L N 1.228 122.556 121.223 0.175 0.000 2.042 332 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 332 L C 2.332 179.206 176.870 0.007 0.000 1.076 332 L CA 1.649 56.325 54.840 -0.273 0.000 0.749 332 L CB -0.608 41.227 42.059 -0.374 0.000 0.893 332 L HN 0.169 nan 8.230 nan 0.000 0.432 333 R N -0.825 119.734 120.500 0.098 0.000 2.083 333 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 333 R C 2.560 178.901 176.300 0.068 0.000 1.137 333 R CA 1.832 58.003 56.100 0.118 0.000 0.951 333 R CB -0.239 30.151 30.300 0.150 0.000 0.851 333 R HN 0.311 nan 8.270 nan 0.000 0.434 334 R N -0.686 119.872 120.500 0.097 0.000 2.081 334 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 334 R C 2.105 178.447 176.300 0.071 0.000 1.131 334 R CA 1.854 57.983 56.100 0.047 0.000 0.960 334 R CB -0.376 29.996 30.300 0.119 0.000 0.856 334 R HN 0.241 nan 8.270 nan 0.000 0.436 335 F N 0.170 120.159 119.950 0.065 0.000 2.102 335 F HA -0.241 4.285 4.527 -0.001 0.000 0.298 335 F C 2.014 177.880 175.800 0.110 0.000 1.105 335 F CA 1.439 59.536 58.000 0.162 0.000 1.239 335 F CB -0.391 38.800 39.000 0.319 0.000 0.991 335 F HN 0.040 nan 8.300 nan 0.000 0.474 336 C N 0.359 119.696 119.300 0.062 0.000 2.432 336 C HA -0.111 4.348 4.460 -0.001 0.000 0.282 336 C C 2.644 177.542 174.990 -0.153 0.000 1.388 336 C CA 1.205 60.209 59.018 -0.024 0.000 1.777 336 C CB -1.405 26.392 27.740 0.095 0.000 1.882 336 C HN 0.684 nan 8.230 nan 0.000 0.520 337 E N 1.451 121.429 120.200 -0.369 0.000 2.051 337 E HA -0.169 4.181 4.350 -0.001 0.000 0.189 337 E C 2.214 178.542 176.600 -0.454 0.000 0.979 337 E CA 0.870 56.829 56.400 -0.736 0.000 0.803 337 E CB -0.230 28.768 29.700 -1.170 0.000 0.761 337 E HN 0.531 nan 8.360 nan 0.000 0.451 338 K N -0.357 119.782 120.400 -0.435 0.000 2.044 338 K HA -0.158 4.162 4.320 -0.001 0.000 0.210 338 K C 0.504 176.689 176.600 -0.693 0.000 1.049 338 K CA 1.536 57.473 56.287 -0.584 0.000 0.927 338 K CB -0.172 31.891 32.500 -0.728 0.000 0.713 338 K HN 0.162 nan 8.250 nan 0.000 0.443 339 F N 1.253 121.002 119.950 -0.334 0.000 2.916 339 F HA 0.207 4.734 4.527 -0.000 0.000 0.294 339 F C 1.456 177.150 175.800 -0.178 0.000 1.189 339 F CA -0.322 57.505 58.000 -0.287 0.000 1.369 339 F CB 0.116 38.846 39.000 -0.450 0.000 0.961 339 F HN 0.175 nan 8.300 nan 0.000 0.508 340 E N 0.505 120.684 120.200 -0.035 0.000 2.070 340 E HA -0.281 4.069 4.350 -0.001 0.000 0.197 340 E C 2.360 179.007 176.600 0.077 0.000 1.004 340 E CA 2.173 58.595 56.400 0.036 0.000 0.805 340 E CB 0.128 29.852 29.700 0.040 0.000 0.744 340 E HN 0.484 nan 8.360 nan 0.000 0.451 341 T N -1.436 113.154 114.554 0.060 0.000 2.788 341 T HA -0.184 4.165 4.350 -0.001 0.000 0.268 341 T C 1.792 176.529 174.700 0.062 0.000 1.044 341 T CA 1.477 63.614 62.100 0.062 0.000 1.139 341 T CB -0.162 68.734 68.868 0.046 0.000 0.867 341 T HN 0.064 nan 8.240 nan 0.000 0.454 342 Q N 0.677 120.521 119.800 0.073 0.000 2.119 342 Q HA 0.217 4.557 4.340 -0.001 0.000 0.201 342 Q C 2.320 178.343 176.000 0.038 0.000 0.972 342 Q CA 1.337 57.168 55.803 0.046 0.000 0.847 342 Q CB -0.456 28.300 28.738 0.032 0.000 0.903 342 Q HN 0.626 nan 8.270 nan 0.000 0.433 343 I N 0.163 120.766 120.570 0.055 0.000 2.252 343 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 343 I C 2.338 178.494 176.117 0.066 0.000 1.102 343 I CA 1.173 62.509 61.300 0.061 0.000 1.385 343 I CB -0.352 37.693 38.000 0.075 0.000 1.064 343 I HN 0.354 nan 8.210 nan 0.000 0.414 344 E N 1.293 121.540 120.200 0.078 0.000 2.051 344 E HA -0.247 4.102 4.350 -0.001 0.000 0.192 344 E C 2.252 178.878 176.600 0.043 0.000 0.991 344 E CA 2.006 58.448 56.400 0.071 0.000 0.799 344 E CB 0.060 29.807 29.700 0.079 0.000 0.748 344 E HN 0.494 nan 8.360 nan 0.000 0.449 345 S N -1.258 114.464 115.700 0.035 0.000 2.481 345 S HA 0.061 4.530 4.470 -0.001 0.000 0.231 345 S C 1.621 176.230 174.600 0.014 0.000 0.996 345 S CA 0.946 59.158 58.200 0.021 0.000 0.942 345 S CB 0.270 63.480 63.200 0.017 0.000 0.768 345 S HN 0.550 nan 8.310 nan 0.000 0.520 346 G N 0.841 109.652 108.800 0.018 0.000 2.175 346 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.244 346 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.244 346 G C 0.688 175.589 174.900 0.001 0.000 0.982 346 G CA 0.483 45.589 45.100 0.011 0.000 0.641 346 G HN 0.545 nan 8.290 nan 0.000 0.527 347 Q N -0.874 118.924 119.800 -0.003 0.000 2.119 347 Q HA 0.113 4.452 4.340 -0.001 0.000 0.201 347 Q C 1.041 177.026 176.000 -0.025 0.000 0.972 347 Q CA 1.137 56.930 55.803 -0.017 0.000 0.847 347 Q CB -0.024 28.702 28.738 -0.020 0.000 0.903 347 Q HN 0.701 nan 8.270 nan 0.000 0.433 348 L N 1.076 122.291 121.223 -0.013 0.000 2.287 348 L HA 0.396 4.736 4.340 -0.001 0.000 0.287 348 L C -1.411 175.479 176.870 0.033 0.000 1.022 348 L CA -0.491 54.349 54.840 -0.000 0.000 0.814 348 L CB 1.871 43.919 42.059 -0.018 0.000 1.217 348 L HN -0.218 nan 8.230 nan 0.000 0.420 349 V N 6.132 126.070 119.914 0.041 0.000 2.378 349 V HA 0.491 4.611 4.120 -0.001 0.000 0.288 349 V C -0.382 175.758 176.094 0.076 0.000 1.016 349 V CA -0.656 61.671 62.300 0.046 0.000 0.840 349 V CB 1.714 33.548 31.823 0.019 0.000 0.994 349 V HN 0.520 nan 8.190 nan 0.000 0.431 350 V N 6.495 126.459 119.914 0.083 0.000 2.384 350 V HA 0.531 4.650 4.120 -0.001 0.000 0.287 350 V C 0.116 176.242 176.094 0.054 0.000 1.020 350 V CA -0.626 61.728 62.300 0.090 0.000 0.850 350 V CB 1.746 33.632 31.823 0.105 0.000 0.987 350 V HN 0.807 nan 8.190 nan 0.000 0.436 351 R N 4.465 124.995 120.500 0.050 0.000 2.589 351 R HA 0.740 5.080 4.340 -0.001 0.000 0.293 351 R C -1.359 174.951 176.300 0.018 0.000 0.963 351 R CA -0.729 55.394 56.100 0.039 0.000 0.905 351 R CB 2.030 32.364 30.300 0.057 0.000 1.144 351 R HN 0.537 nan 8.270 nan 0.000 0.459 352 L N 2.129 123.355 121.223 0.006 0.000 2.313 352 L HA 0.415 4.755 4.340 -0.001 0.000 0.283 352 L C -0.954 175.922 176.870 0.010 0.000 1.013 352 L CA -0.496 54.330 54.840 -0.023 0.000 0.816 352 L CB 1.348 43.386 42.059 -0.035 0.000 1.236 352 L HN 0.560 nan 8.230 nan 0.000 0.419 353 W N 5.362 126.527 121.300 -0.224 0.000 2.390 353 W HA 0.653 5.312 4.660 -0.001 0.000 0.312 353 W C -0.282 176.183 176.519 -0.090 0.000 1.123 353 W CA -0.468 56.800 57.345 -0.129 0.000 1.202 353 W CB 0.946 30.273 29.460 -0.222 0.000 1.251 353 W HN 0.374 nan 8.180 nan 0.000 0.511 354 R N 4.904 125.003 120.500 -0.668 0.000 2.536 354 R HA 0.164 4.503 4.340 -0.001 0.000 0.269 354 R C -2.239 173.494 176.300 -0.944 0.000 1.113 354 R CA -0.506 55.207 56.100 -0.645 0.000 0.948 354 R CB 1.454 31.575 30.300 -0.299 0.000 1.237 354 R HN 0.456 nan 8.270 nan 0.000 0.441 355 D N 3.407 123.235 120.400 -0.954 0.000 2.381 355 D HA 0.326 4.966 4.640 -0.001 0.000 0.245 355 D C 0.568 176.617 176.300 -0.419 0.000 1.297 355 D CA 1.005 54.532 54.000 -0.789 0.000 0.931 355 D CB 1.027 41.141 40.800 -1.145 0.000 1.334 355 D HN 0.867 nan 8.370 nan 0.000 0.535 356 G N 3.776 112.413 108.800 -0.272 0.000 2.611 356 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.301 356 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.301 356 G C 0.553 175.374 174.900 -0.131 0.000 1.233 356 G CA 0.618 45.624 45.100 -0.157 0.000 0.993 356 G HN 0.603 nan 8.290 nan 0.000 0.553 357 D N 1.399 121.744 120.400 -0.092 0.000 2.358 357 D HA 0.123 4.762 4.640 -0.001 0.000 0.224 357 D C 0.480 176.727 176.300 -0.088 0.000 1.123 357 D CA -0.207 53.761 54.000 -0.053 0.000 0.833 357 D CB -0.580 40.218 40.800 -0.003 0.000 0.946 357 D HN 0.370 nan 8.370 nan 0.000 0.505 358 N N 0.839 119.433 118.700 -0.177 0.000 2.482 358 N HA 0.148 4.888 4.740 -0.001 0.000 0.260 358 N C 0.499 176.013 175.510 0.007 0.000 1.236 358 N CA 0.373 53.245 53.050 -0.297 0.000 0.938 358 N CB 1.257 39.263 38.487 -0.801 0.000 1.128 358 N HN 0.338 nan 8.380 nan 0.000 0.448 359 T N -1.870 112.657 114.554 -0.044 0.000 2.949 359 T HA 0.438 4.788 4.350 -0.001 0.000 0.287 359 T C -0.873 173.843 174.700 0.027 0.000 1.034 359 T CA -0.721 61.432 62.100 0.088 0.000 1.018 359 T CB 1.323 70.198 68.868 0.012 0.000 1.135 359 T HN 0.422 nan 8.240 nan 0.000 0.532 360 Y N 0.745 120.982 120.300 -0.105 0.000 2.341 360 Y HA 0.487 5.037 4.550 -0.001 0.000 0.338 360 Y C 0.134 175.933 175.900 -0.169 0.000 0.965 360 Y CA -0.774 57.135 58.100 -0.317 0.000 1.108 360 Y CB 1.341 39.655 38.460 -0.243 0.000 1.180 360 Y HN 0.986 nan 8.280 nan 0.000 0.458 361 H N 7.281 125.881 119.070 -0.784 0.000 3.064 361 H HA 0.293 4.849 4.556 -0.001 0.000 0.232 361 H C -1.351 173.555 175.328 -0.703 0.000 1.308 361 H CA -0.112 55.599 56.048 -0.562 0.000 1.010 361 H CB 0.416 30.078 29.762 -0.166 0.000 2.408 361 H HN 0.624 nan 8.280 nan 0.000 0.599 362 L N 1.982 122.461 121.223 -1.239 0.000 2.371 362 L HA 0.327 4.667 4.340 -0.001 0.000 0.272 362 L C -0.188 176.358 176.870 -0.540 0.000 1.124 362 L CA 0.123 54.435 54.840 -0.879 0.000 0.816 362 L CB 1.114 42.642 42.059 -0.886 0.000 1.129 362 L HN 0.122 nan 8.230 nan 0.000 0.448 363 K N 1.486 121.653 120.400 -0.389 0.000 2.422 363 K HA 0.832 5.151 4.320 -0.001 0.000 0.251 363 K C -0.606 175.873 176.600 -0.202 0.000 0.933 363 K CA -0.735 55.406 56.287 -0.243 0.000 0.798 363 K CB 2.466 34.808 32.500 -0.264 0.000 1.238 363 K HN 0.755 nan 8.250 nan 0.000 0.428 364 G N 0.398 109.114 108.800 -0.139 0.000 2.429 364 G HA2 0.415 4.374 3.960 -0.001 0.000 0.300 364 G HA3 0.415 4.374 3.960 -0.001 0.000 0.300 364 G C -1.963 172.817 174.900 -0.201 0.000 1.598 364 G CA -0.584 44.281 45.100 -0.392 0.000 0.863 364 G HN 0.300 nan 8.290 nan 0.000 0.614 365 V N 1.614 121.318 119.914 -0.350 0.000 2.577 365 V HA 0.710 4.829 4.120 -0.001 0.000 0.303 365 V C -0.933 175.092 176.094 -0.114 0.000 1.042 365 V CA -0.638 61.648 62.300 -0.024 0.000 0.872 365 V CB 1.999 33.884 31.823 0.103 0.000 0.998 365 V HN 0.726 nan 8.190 nan 0.000 0.423 366 W N 3.576 124.890 121.300 0.023 0.000 2.619 366 W HA 0.628 5.287 4.660 -0.001 0.000 0.327 366 W C -1.122 175.409 176.519 0.021 0.000 1.027 366 W CA -0.710 56.656 57.345 0.036 0.000 1.233 366 W CB 2.274 31.738 29.460 0.007 0.000 1.370 366 W HN 0.276 nan 8.180 nan 0.000 0.453 367 V N 5.334 125.423 119.914 0.292 0.000 2.347 367 V HA 0.146 4.265 4.120 -0.001 0.000 0.280 367 V C 0.468 176.677 176.094 0.192 0.000 1.021 367 V CA -0.074 62.354 62.300 0.213 0.000 0.847 367 V CB 0.820 32.804 31.823 0.268 0.000 0.990 367 V HN 0.636 nan 8.190 nan 0.000 0.444 368 D N 3.653 124.118 120.400 0.109 0.000 3.215 368 D HA -0.225 4.414 4.640 -0.001 0.000 0.194 368 D C 0.172 176.507 176.300 0.057 0.000 1.369 368 D CA 1.558 55.594 54.000 0.061 0.000 1.068 368 D CB -0.137 40.697 40.800 0.056 0.000 0.604 368 D HN 0.694 nan 8.370 nan 0.000 0.683 369 D N 0.454 120.864 120.400 0.016 0.000 2.525 369 D HA 0.191 4.831 4.640 -0.001 0.000 0.229 369 D C 1.334 177.603 176.300 -0.051 0.000 1.202 369 D CA 0.050 54.048 54.000 -0.002 0.000 0.828 369 D CB 0.376 41.157 40.800 -0.032 0.000 1.008 369 D HN 0.185 nan 8.370 nan 0.000 0.493 370 R N -0.790 119.672 120.500 -0.063 0.000 2.225 370 R HA 0.146 4.486 4.340 -0.001 0.000 0.194 370 R C -0.294 175.790 176.300 -0.359 0.000 0.949 370 R CA 0.355 56.291 56.100 -0.273 0.000 1.088 370 R CB 0.831 30.929 30.300 -0.336 0.000 1.106 370 R HN -0.020 nan 8.270 nan 0.000 0.566 371 Y N -0.181 120.188 120.300 0.116 0.000 2.391 371 Y HA 0.454 5.004 4.550 -0.001 0.000 0.341 371 Y C -0.848 175.098 175.900 0.077 0.000 0.965 371 Y CA -1.113 57.059 58.100 0.119 0.000 1.067 371 Y CB 1.663 40.195 38.460 0.120 0.000 1.199 371 Y HN -0.146 nan 8.280 nan 0.000 0.450 372 I N 4.502 125.179 120.570 0.178 0.000 2.439 372 I HA 0.279 4.448 4.170 -0.001 0.000 0.283 372 I C -1.194 174.861 176.117 -0.103 0.000 1.023 372 I CA -0.468 60.806 61.300 -0.044 0.000 1.100 372 I CB 1.515 39.510 38.000 -0.007 0.000 1.238 372 I HN 0.382 nan 8.210 nan 0.000 0.445 373 L N 7.668 128.761 121.223 -0.216 0.000 2.275 373 L HA 0.590 4.930 4.340 -0.001 0.000 0.288 373 L C -0.968 175.721 176.870 -0.301 0.000 1.046 373 L CA -0.037 54.685 54.840 -0.197 0.000 0.805 373 L CB 0.684 42.666 42.059 -0.128 0.000 1.193 373 L HN 0.433 nan 8.230 nan 0.000 0.426 374 L N 5.268 126.313 121.223 -0.296 0.000 2.272 374 L HA 0.653 4.993 4.340 -0.001 0.000 0.289 374 L C 0.044 176.767 176.870 -0.245 0.000 1.032 374 L CA -0.294 54.364 54.840 -0.304 0.000 0.810 374 L CB 1.394 43.193 42.059 -0.433 0.000 1.205 374 L HN 0.678 nan 8.230 nan 0.000 0.422 375 T N 0.984 115.532 114.554 -0.009 0.000 2.942 375 T HA 0.407 4.757 4.350 -0.001 0.000 0.327 375 T C 0.597 175.341 174.700 0.074 0.000 1.360 375 T CA -0.122 62.034 62.100 0.094 0.000 1.055 375 T CB 1.699 70.550 68.868 -0.027 0.000 1.261 375 T HN 0.684 nan 8.240 nan 0.000 0.485 376 G N 2.506 111.351 108.800 0.075 0.000 3.181 376 G HA2 0.095 4.054 3.960 -0.001 0.000 0.219 376 G HA3 0.095 4.054 3.960 -0.001 0.000 0.219 376 G C 0.558 175.403 174.900 -0.092 0.000 1.182 376 G CA -0.265 44.804 45.100 -0.052 0.000 0.791 376 G HN 0.654 nan 8.290 nan 0.000 0.537 377 N N 1.163 119.831 118.700 -0.054 0.000 2.452 377 N HA 0.026 4.766 4.740 -0.001 0.000 0.266 377 N C 0.554 176.034 175.510 -0.050 0.000 1.175 377 N CA -0.238 52.785 53.050 -0.046 0.000 0.945 377 N CB 0.579 39.065 38.487 -0.003 0.000 1.063 377 N HN -0.074 nan 8.380 nan 0.000 0.472 378 N N 3.528 122.187 118.700 -0.068 0.000 2.521 378 N HA 0.051 4.790 4.740 -0.001 0.000 0.188 378 N C 0.205 175.715 175.510 0.000 0.000 1.146 378 N CA 0.117 53.133 53.050 -0.057 0.000 0.893 378 N CB -0.203 38.278 38.487 -0.012 0.000 0.975 378 N HN 0.619 nan 8.380 nan 0.000 0.451 379 L N 0.369 121.659 121.223 0.111 0.000 3.608 379 L HA -0.285 4.055 4.340 -0.001 0.000 0.422 379 L C -0.500 176.373 176.870 0.004 0.000 1.260 379 L CA 0.140 55.077 54.840 0.161 0.000 0.889 379 L CB -2.233 39.958 42.059 0.220 0.000 1.821 379 L HN 0.357 nan 8.230 nan 0.000 0.884 380 N N -2.549 116.183 118.700 0.054 0.000 2.469 380 N HA 0.609 5.348 4.740 -0.001 0.000 0.286 380 N C -2.139 173.417 175.510 0.077 0.000 1.275 380 N CA -2.325 50.718 53.050 -0.012 0.000 0.790 380 N CB 0.761 39.239 38.487 -0.016 0.000 1.446 380 N HN -0.341 nan 8.380 nan 0.000 0.501 381 P HA -0.106 nan 4.420 nan 0.000 0.216 381 P C 1.118 178.519 177.300 0.168 0.000 1.150 381 P CA 1.534 64.689 63.100 0.092 0.000 0.843 381 P CB 0.244 31.972 31.700 0.047 0.000 0.787 382 R N -0.471 120.110 120.500 0.135 0.000 2.080 382 R HA -0.125 4.215 4.340 -0.001 0.000 0.236 382 R C 2.235 178.640 176.300 0.175 0.000 1.137 382 R CA 1.844 58.030 56.100 0.143 0.000 0.943 382 R CB -1.153 29.227 30.300 0.132 0.000 0.846 382 R HN 0.153 nan 8.270 nan 0.000 0.431 383 A N -0.031 122.909 122.820 0.201 0.000 2.015 383 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 383 A C 1.734 179.401 177.584 0.139 0.000 1.163 383 A CA 0.661 52.800 52.037 0.170 0.000 0.646 383 A CB -0.662 18.447 19.000 0.182 0.000 0.806 383 A HN 0.508 nan 8.150 nan 0.000 0.448 384 W N -0.035 121.253 121.300 -0.019 0.000 2.678 384 W HA -0.028 4.631 4.660 -0.001 0.000 0.256 384 W C 2.175 178.682 176.519 -0.020 0.000 1.280 384 W CA 1.199 58.524 57.345 -0.033 0.000 1.345 384 W CB 0.164 29.602 29.460 -0.036 0.000 1.118 384 W HN 0.650 nan 8.180 nan 0.000 0.629 385 R N -2.593 117.991 120.500 0.140 0.000 2.676 385 R HA 0.133 4.473 4.340 -0.001 0.000 0.241 385 R C 1.452 177.799 176.300 0.080 0.000 0.964 385 R CA -0.034 56.119 56.100 0.089 0.000 1.054 385 R CB -0.434 29.938 30.300 0.120 0.000 1.603 385 R HN 0.108 nan 8.270 nan 0.000 0.577 386 L N 0.663 121.951 121.223 0.107 0.000 2.435 386 L HA 0.326 4.666 4.340 -0.001 0.000 0.195 386 L C -0.066 176.875 176.870 0.119 0.000 1.072 386 L CA 0.051 54.971 54.840 0.133 0.000 0.833 386 L CB -0.023 42.133 42.059 0.162 0.000 1.081 386 L HN 0.061 nan 8.230 nan 0.000 0.485 387 D N 0.913 121.386 120.400 0.122 0.000 2.253 387 D HA 0.396 5.036 4.640 -0.001 0.000 0.249 387 D C -0.133 176.210 176.300 0.072 0.000 1.049 387 D CA -0.076 54.014 54.000 0.151 0.000 0.929 387 D CB 1.789 42.765 40.800 0.293 0.000 1.176 387 D HN 0.039 nan 8.370 nan 0.000 0.437 388 A N 1.984 124.870 122.820 0.109 0.000 2.309 388 A HA 0.406 4.725 4.320 -0.001 0.000 0.290 388 A C 0.033 177.672 177.584 0.091 0.000 1.206 388 A CA -0.371 51.701 52.037 0.058 0.000 0.850 388 A CB 0.483 19.636 19.000 0.256 0.000 1.118 388 A HN 0.355 nan 8.150 nan 0.000 0.523 389 E N 1.612 121.743 120.200 -0.115 0.000 2.369 389 E HA 0.420 4.770 4.350 -0.001 0.000 0.270 389 E C -0.994 175.594 176.600 -0.019 0.000 0.909 389 E CA -0.808 55.584 56.400 -0.015 0.000 0.775 389 E CB 2.295 31.936 29.700 -0.098 0.000 1.270 389 E HN 0.821 nan 8.360 nan 0.000 0.445 390 N N -0.808 117.962 118.700 0.117 0.000 2.761 390 N HA 0.725 5.464 4.740 -0.001 0.000 0.283 390 N C -0.663 174.893 175.510 0.077 0.000 1.377 390 N CA -0.691 52.449 53.050 0.150 0.000 0.791 390 N CB 1.904 40.582 38.487 0.319 0.000 1.540 390 N HN 0.504 nan 8.380 nan 0.000 0.539 391 G N -0.972 107.804 108.800 -0.040 0.000 2.632 391 G HA2 0.535 4.494 3.960 -0.001 0.000 0.292 391 G HA3 0.535 4.494 3.960 -0.001 0.000 0.292 391 G C -1.921 172.749 174.900 -0.384 0.000 1.465 391 G CA -0.766 44.225 45.100 -0.181 0.000 0.824 391 G HN 0.449 nan 8.290 nan 0.000 0.509 392 L N 1.238 122.131 121.223 -0.550 0.000 2.316 392 L HA 0.447 4.787 4.340 -0.001 0.000 0.280 392 L C -0.705 175.993 176.870 -0.287 0.000 1.006 392 L CA -0.882 53.670 54.840 -0.479 0.000 0.836 392 L CB 1.747 43.428 42.059 -0.630 0.000 1.221 392 L HN 0.381 nan 8.230 nan 0.000 0.418 393 L N 5.796 126.925 121.223 -0.156 0.000 2.261 393 L HA 0.438 4.778 4.340 -0.001 0.000 0.289 393 L C -0.196 176.778 176.870 0.174 0.000 1.059 393 L CA -0.042 54.807 54.840 0.014 0.000 0.816 393 L CB 0.520 42.617 42.059 0.063 0.000 1.191 393 L HN 0.295 nan 8.230 nan 0.000 0.431 394 I N 5.647 126.302 120.570 0.142 0.000 2.395 394 I HA 0.137 4.306 4.170 -0.001 0.000 0.289 394 I C -0.595 175.669 176.117 0.246 0.000 1.023 394 I CA -0.445 60.956 61.300 0.168 0.000 1.350 394 I CB 0.710 38.757 38.000 0.078 0.000 1.409 394 I HN 0.571 nan 8.210 nan 0.000 0.507 395 Y N 5.586 125.860 120.300 -0.043 0.000 2.341 395 Y HA 0.411 4.960 4.550 -0.001 0.000 0.338 395 Y C -0.657 175.066 175.900 -0.295 0.000 0.965 395 Y CA -1.181 56.726 58.100 -0.322 0.000 1.108 395 Y CB 1.249 39.203 38.460 -0.842 0.000 1.180 395 Y HN 0.544 nan 8.280 nan 0.000 0.458 396 D N 8.612 128.640 120.400 -0.621 0.000 2.513 396 D HA 0.337 4.977 4.640 -0.001 0.000 0.295 396 D C -2.184 173.751 176.300 -0.609 0.000 1.202 396 D CA -2.216 51.488 54.000 -0.492 0.000 0.849 396 D CB 1.138 41.809 40.800 -0.214 0.000 1.116 396 D HN 0.334 nan 8.370 nan 0.000 0.502 397 P HA -0.084 nan 4.420 nan 0.000 0.223 397 P C 0.541 177.634 177.300 -0.344 0.000 1.151 397 P CA 0.794 63.486 63.100 -0.681 0.000 0.787 397 P CB 0.411 31.670 31.700 -0.735 0.000 0.788 398 Q N -0.864 118.765 119.800 -0.286 0.000 2.188 398 Q HA 0.165 4.504 4.340 -0.001 0.000 0.212 398 Q C -0.275 175.644 176.000 -0.135 0.000 0.846 398 Q CA -0.227 55.473 55.803 -0.172 0.000 0.989 398 Q CB 0.279 28.936 28.738 -0.135 0.000 1.114 398 Q HN -0.017 nan 8.270 nan 0.000 0.488 399 Q N -0.083 119.627 119.800 -0.151 0.000 2.475 399 Q HA -0.259 4.080 4.340 -0.001 0.000 0.280 399 Q C 0.484 176.444 176.000 -0.068 0.000 1.234 399 Q CA 0.801 56.544 55.803 -0.099 0.000 0.873 399 Q CB -1.861 26.829 28.738 -0.079 0.000 1.256 399 Q HN 0.490 nan 8.270 nan 0.000 0.475 400 Q N -0.896 118.860 119.800 -0.072 0.000 2.369 400 Q HA 0.005 4.345 4.340 -0.001 0.000 0.206 400 Q C 1.205 177.202 176.000 -0.004 0.000 0.963 400 Q CA 0.914 56.693 55.803 -0.040 0.000 0.894 400 Q CB 0.148 28.858 28.738 -0.046 0.000 0.965 400 Q HN 0.414 nan 8.270 nan 0.000 0.475 401 L N -0.323 120.903 121.223 0.005 0.000 2.693 401 L HA 0.105 4.444 4.340 -0.001 0.000 0.235 401 L C 1.351 178.243 176.870 0.037 0.000 1.127 401 L CA 0.297 55.175 54.840 0.064 0.000 0.914 401 L CB 0.278 42.406 42.059 0.116 0.000 1.193 401 L HN 0.139 nan 8.230 nan 0.000 0.502 402 L N 0.210 121.431 121.223 -0.003 0.000 2.079 402 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 402 L C 2.462 179.308 176.870 -0.041 0.000 1.081 402 L CA 2.170 56.996 54.840 -0.024 0.000 0.752 402 L CB -0.701 41.337 42.059 -0.034 0.000 0.896 402 L HN 0.255 nan 8.230 nan 0.000 0.433 403 A N -0.967 121.838 122.820 -0.026 0.000 1.883 403 A HA -0.292 4.028 4.320 -0.001 0.000 0.217 403 A C 2.185 179.743 177.584 -0.044 0.000 1.186 403 A CA 2.051 54.072 52.037 -0.028 0.000 0.624 403 A CB -0.641 18.355 19.000 -0.007 0.000 0.822 403 A HN 0.663 nan 8.150 nan 0.000 0.444 404 Q N -0.615 119.169 119.800 -0.028 0.000 2.079 404 Q HA -0.080 4.260 4.340 -0.001 0.000 0.200 404 Q C 2.121 177.901 176.000 -0.367 0.000 0.974 404 Q CA 1.478 57.235 55.803 -0.075 0.000 0.840 404 Q CB -0.375 28.451 28.738 0.147 0.000 0.898 404 Q HN 0.472 nan 8.270 nan 0.000 0.430 405 V N 1.616 121.329 119.914 -0.334 0.000 2.287 405 V HA -0.281 3.838 4.120 -0.001 0.000 0.248 405 V C 1.977 177.930 176.094 -0.236 0.000 1.053 405 V CA 2.072 64.172 62.300 -0.334 0.000 1.027 405 V CB -0.518 31.267 31.823 -0.064 0.000 0.646 405 V HN 0.383 nan 8.190 nan 0.000 0.447 406 E N -0.103 119.998 120.200 -0.165 0.000 2.150 406 E HA -0.256 4.093 4.350 -0.001 0.000 0.193 406 E C 2.248 178.775 176.600 -0.122 0.000 0.985 406 E CA 1.192 57.505 56.400 -0.144 0.000 0.814 406 E CB -0.146 29.492 29.700 -0.103 0.000 0.752 406 E HN 0.572 nan 8.360 nan 0.000 0.466 407 K N 1.534 121.869 120.400 -0.108 0.000 2.026 407 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 407 K C 2.154 178.722 176.600 -0.054 0.000 1.048 407 K CA 1.431 57.681 56.287 -0.062 0.000 0.929 407 K CB 0.033 32.516 32.500 -0.029 0.000 0.713 407 K HN 0.009 nan 8.250 nan 0.000 0.439 408 E N 0.512 120.644 120.200 -0.114 0.000 2.058 408 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 408 E C 2.089 178.673 176.600 -0.027 0.000 0.997 408 E CA 1.501 57.868 56.400 -0.054 0.000 0.801 408 E CB 0.047 29.649 29.700 -0.163 0.000 0.746 408 E HN 0.425 nan 8.360 nan 0.000 0.450 409 Q N 0.053 119.779 119.800 -0.124 0.000 2.135 409 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 409 Q C 2.054 178.000 176.000 -0.091 0.000 0.981 409 Q CA 1.510 57.198 55.803 -0.192 0.000 0.856 409 Q CB -0.178 28.334 28.738 -0.376 0.000 0.902 409 Q HN 0.188 nan 8.270 nan 0.000 0.425 410 N N 0.395 119.055 118.700 -0.066 0.000 2.120 410 N HA -0.214 4.526 4.740 -0.001 0.000 0.188 410 N C 1.696 177.222 175.510 0.027 0.000 1.024 410 N CA 1.326 54.359 53.050 -0.028 0.000 0.852 410 N CB -0.023 38.445 38.487 -0.032 0.000 1.003 410 N HN 0.055 nan 8.380 nan 0.000 0.424 411 Q N 0.506 120.344 119.800 0.063 0.000 2.084 411 Q HA 0.041 4.380 4.340 -0.001 0.000 0.202 411 Q C 1.966 178.119 176.000 0.255 0.000 0.978 411 Q CA 1.406 57.293 55.803 0.140 0.000 0.844 411 Q CB -0.448 28.397 28.738 0.177 0.000 0.898 411 Q HN 0.545 nan 8.270 nan 0.000 0.426 412 I N -0.139 120.584 120.570 0.255 0.000 2.286 412 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 412 I C 2.163 178.511 176.117 0.387 0.000 1.115 412 I CA 1.237 62.757 61.300 0.366 0.000 1.392 412 I CB -0.177 37.924 38.000 0.168 0.000 1.065 412 I HN 0.171 nan 8.210 nan 0.000 0.418 413 R N -0.089 120.527 120.500 0.193 0.000 2.276 413 R HA -0.139 4.201 4.340 -0.001 0.000 0.203 413 R C 2.112 178.474 176.300 0.103 0.000 1.017 413 R CA 0.437 56.621 56.100 0.141 0.000 1.010 413 R CB -0.118 30.204 30.300 0.036 0.000 0.900 413 R HN 0.289 nan 8.270 nan 0.000 0.469 414 Q N 0.277 120.117 119.800 0.066 0.000 2.061 414 Q HA -0.157 4.183 4.340 -0.001 0.000 0.204 414 Q C 0.766 176.611 176.000 -0.259 0.000 0.984 414 Q CA 1.541 57.270 55.803 -0.123 0.000 0.846 414 Q CB 0.063 28.677 28.738 -0.207 0.000 0.902 414 Q HN 0.421 nan 8.270 nan 0.000 0.421 415 H N -0.293 118.787 119.070 0.017 0.000 2.660 415 H HA 0.215 4.771 4.556 -0.001 0.000 0.310 415 H C -0.153 174.988 175.328 -0.311 0.000 1.080 415 H CA 0.700 56.578 56.048 -0.283 0.000 1.145 415 H CB -0.636 28.714 29.762 -0.686 0.000 1.432 415 H HN 0.271 nan 8.280 nan 0.000 0.542 416 T N -1.489 113.068 114.554 0.005 0.000 2.952 416 T HA 0.614 4.964 4.350 -0.001 0.000 0.286 416 T C 0.027 174.721 174.700 -0.010 0.000 1.024 416 T CA -0.985 61.132 62.100 0.029 0.000 1.029 416 T CB 2.737 71.679 68.868 0.123 0.000 1.094 416 T HN 0.089 nan 8.240 nan 0.000 0.515 417 K N 0.903 121.297 120.400 -0.011 0.000 2.371 417 K HA 0.602 4.922 4.320 -0.001 0.000 0.251 417 K C -1.148 175.454 176.600 0.003 0.000 0.934 417 K CA -1.021 55.259 56.287 -0.011 0.000 0.798 417 K CB 2.701 35.187 32.500 -0.023 0.000 1.204 417 K HN 0.418 nan 8.250 nan 0.000 0.427 418 V N 3.577 123.495 119.914 0.006 0.000 2.508 418 V HA 0.074 4.194 4.120 -0.001 0.000 0.281 418 V C 0.177 176.282 176.094 0.018 0.000 1.041 418 V CA -0.502 61.807 62.300 0.015 0.000 1.016 418 V CB 0.744 32.574 31.823 0.012 0.000 0.984 418 V HN 0.614 nan 8.190 nan 0.000 0.478 419 L N 6.024 127.263 121.223 0.027 0.000 2.477 419 L HA 0.142 4.482 4.340 -0.001 0.000 0.272 419 L C 1.325 178.224 176.870 0.048 0.000 1.157 419 L CA 0.380 55.240 54.840 0.034 0.000 0.889 419 L CB 0.191 42.273 42.059 0.039 0.000 1.158 419 L HN 0.622 nan 8.230 nan 0.000 0.473 420 K N 3.528 123.959 120.400 0.052 0.000 2.186 420 K HA 0.069 4.389 4.320 -0.001 0.000 0.202 420 K C 0.074 176.758 176.600 0.141 0.000 1.052 420 K CA 0.619 56.947 56.287 0.069 0.000 0.965 420 K CB 0.055 32.581 32.500 0.045 0.000 0.746 420 K HN 0.648 nan 8.250 nan 0.000 0.457 421 H N -1.696 117.369 119.070 -0.008 0.000 3.081 421 H HA -0.068 4.488 4.556 -0.001 0.000 0.322 421 H C -0.068 175.240 175.328 -0.033 0.000 1.266 421 H CA -0.597 55.434 56.048 -0.030 0.000 1.279 421 H CB 0.846 30.540 29.762 -0.114 0.000 1.954 421 H HN 0.034 nan 8.280 nan 0.000 0.530 422 Y N 1.907 121.920 120.300 -0.478 0.000 2.241 422 Y HA -0.211 4.338 4.550 -0.001 0.000 0.286 422 Y C 2.068 177.905 175.900 -0.105 0.000 1.166 422 Y CA 1.823 59.770 58.100 -0.255 0.000 1.203 422 Y CB -0.897 37.398 38.460 -0.274 0.000 0.977 422 Y HN 0.468 nan 8.280 nan 0.000 0.529 423 T N -2.280 111.908 114.554 -0.610 0.000 3.098 423 T HA -0.141 4.209 4.350 -0.001 0.000 0.266 423 T C 1.377 176.049 174.700 -0.047 0.000 1.145 423 T CA 1.070 63.017 62.100 -0.255 0.000 1.092 423 T CB -0.486 68.253 68.868 -0.215 0.000 0.908 423 T HN 0.630 nan 8.240 nan 0.000 0.526 424 E N 0.285 120.479 120.200 -0.011 0.000 2.268 424 E HA 0.094 4.444 4.350 -0.001 0.000 0.195 424 E C 0.073 176.696 176.600 0.038 0.000 0.995 424 E CA 0.320 56.732 56.400 0.019 0.000 0.836 424 E CB -0.151 29.566 29.700 0.028 0.000 0.763 424 E HN 0.615 nan 8.360 nan 0.000 0.491 425 L N 2.013 123.270 121.223 0.057 0.000 2.289 425 L HA 0.265 4.605 4.340 -0.001 0.000 0.285 425 L C 0.021 176.961 176.870 0.117 0.000 1.049 425 L CA -0.656 54.242 54.840 0.098 0.000 0.804 425 L CB 1.340 43.469 42.059 0.116 0.000 1.195 425 L HN -0.017 nan 8.230 nan 0.000 0.428 426 E N 2.206 122.503 120.200 0.163 0.000 2.481 426 E HA -0.036 4.314 4.350 -0.001 0.000 0.263 426 E C -0.122 176.494 176.600 0.026 0.000 0.992 426 E CA 0.070 56.557 56.400 0.144 0.000 0.938 426 E CB 0.676 30.558 29.700 0.305 0.000 0.933 426 E HN 0.349 nan 8.360 nan 0.000 0.453 427 E N 2.183 122.328 120.200 -0.090 0.000 2.349 427 E HA 0.005 4.355 4.350 -0.001 0.000 0.262 427 E C 0.795 177.056 176.600 -0.564 0.000 1.088 427 E CA -0.118 56.165 56.400 -0.196 0.000 0.899 427 E CB 1.227 30.872 29.700 -0.092 0.000 1.044 427 E HN 0.527 nan 8.360 nan 0.000 0.420 428 L N 3.396 124.271 121.223 -0.581 0.000 2.010 428 L HA -0.339 4.001 4.340 -0.001 0.000 0.219 428 L C 1.845 178.455 176.870 -0.434 0.000 1.077 428 L CA 2.443 56.873 54.840 -0.683 0.000 0.773 428 L CB -0.385 41.522 42.059 -0.254 0.000 0.892 428 L HN 0.591 nan 8.230 nan 0.000 0.436 429 N N -0.231 118.333 118.700 -0.227 0.000 2.573 429 N HA -0.182 4.557 4.740 -0.001 0.000 0.187 429 N C 1.501 176.960 175.510 -0.086 0.000 1.107 429 N CA 1.536 54.514 53.050 -0.120 0.000 0.918 429 N CB -0.646 37.796 38.487 -0.076 0.000 0.966 429 N HN 0.617 nan 8.380 nan 0.000 0.448 430 Q N -0.589 119.144 119.800 -0.111 0.000 2.319 430 Q HA 0.171 4.510 4.340 -0.001 0.000 0.202 430 Q C -0.184 175.897 176.000 0.135 0.000 0.896 430 Q CA -0.178 55.624 55.803 -0.001 0.000 0.942 430 Q CB -0.527 28.220 28.738 0.015 0.000 1.083 430 Q HN 0.384 nan 8.270 nan 0.000 0.510 431 Y N 0.639 120.943 120.300 0.007 0.000 2.314 431 Y HA 0.376 4.925 4.550 -0.001 0.000 0.334 431 Y C -1.979 173.843 175.900 -0.130 0.000 1.266 431 Y CA -3.201 54.873 58.100 -0.044 0.000 1.391 431 Y CB 0.355 38.722 38.460 -0.156 0.000 1.306 431 Y HN 0.098 nan 8.280 nan 0.000 0.558 432 P HA 0.056 nan 4.420 nan 0.000 0.265 432 P C 0.774 177.942 177.300 -0.220 0.000 1.187 432 P CA 1.053 64.068 63.100 -0.141 0.000 0.766 432 P CB 0.451 32.015 31.700 -0.226 0.000 0.820 433 E N 5.830 125.927 120.200 -0.171 0.000 2.065 433 E HA -0.222 4.128 4.350 -0.001 0.000 0.201 433 E C -0.603 175.836 176.600 -0.268 0.000 1.016 433 E CA 2.196 58.494 56.400 -0.170 0.000 0.818 433 E CB -2.981 26.650 29.700 -0.116 0.000 0.749 433 E HN 0.540 nan 8.360 nan 0.000 0.453 434 P HA -0.107 nan 4.420 nan 0.000 0.218 434 P C 1.758 178.599 177.300 -0.765 0.000 1.148 434 P CA 1.545 64.340 63.100 -0.507 0.000 0.822 434 P CB -0.119 31.241 31.700 -0.566 0.000 0.784 435 V N 0.524 119.859 119.914 -0.964 0.000 2.261 435 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 435 V C 2.878 178.738 176.094 -0.391 0.000 1.047 435 V CA 1.829 63.632 62.300 -0.829 0.000 1.015 435 V CB -1.424 29.787 31.823 -1.019 0.000 0.642 435 V HN 0.117 nan 8.190 nan 0.000 0.446 436 Q N -0.125 119.520 119.800 -0.258 0.000 2.077 436 Q HA -0.283 4.057 4.340 -0.001 0.000 0.206 436 Q C 2.416 178.336 176.000 -0.133 0.000 0.989 436 Q CA 1.946 57.683 55.803 -0.111 0.000 0.853 436 Q CB -0.260 28.425 28.738 -0.088 0.000 0.907 436 Q HN 0.595 nan 8.270 nan 0.000 0.418 437 K N 0.201 120.498 120.400 -0.172 0.000 2.032 437 K HA -0.200 4.120 4.320 -0.001 0.000 0.209 437 K C 2.102 178.586 176.600 -0.192 0.000 1.048 437 K CA 1.140 57.336 56.287 -0.151 0.000 0.927 437 K CB -0.248 32.166 32.500 -0.143 0.000 0.712 437 K HN 0.070 nan 8.250 nan 0.000 0.441 438 L N 1.314 122.380 121.223 -0.261 0.000 2.017 438 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 438 L C 2.008 178.589 176.870 -0.482 0.000 1.073 438 L CA 1.537 56.118 54.840 -0.432 0.000 0.745 438 L CB -0.313 41.527 42.059 -0.366 0.000 0.894 438 L HN 0.158 nan 8.230 nan 0.000 0.432 439 L N -1.107 119.978 121.223 -0.230 0.000 2.093 439 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 439 L C 2.545 179.417 176.870 0.003 0.000 1.085 439 L CA 1.141 55.951 54.840 -0.051 0.000 0.755 439 L CB -0.541 41.556 42.059 0.064 0.000 0.904 439 L HN 0.251 nan 8.230 nan 0.000 0.435 440 K N 0.387 120.764 120.400 -0.039 0.000 2.032 440 K HA -0.199 4.120 4.320 -0.001 0.000 0.209 440 K C 2.150 178.755 176.600 0.008 0.000 1.048 440 K CA 1.495 57.775 56.287 -0.013 0.000 0.927 440 K CB -0.049 32.429 32.500 -0.035 0.000 0.712 440 K HN 0.270 nan 8.250 nan 0.000 0.441 441 K N -0.066 120.313 120.400 -0.036 0.000 2.025 441 K HA -0.087 4.233 4.320 -0.001 0.000 0.207 441 K C 2.059 178.768 176.600 0.182 0.000 1.049 441 K CA 1.222 57.524 56.287 0.025 0.000 0.933 441 K CB -0.169 32.308 32.500 -0.039 0.000 0.714 441 K HN -0.006 nan 8.250 nan 0.000 0.438 442 F N 1.321 121.277 119.950 0.010 0.000 2.126 442 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 442 F C 2.522 178.329 175.800 0.011 0.000 1.096 442 F CA 0.807 58.812 58.000 0.008 0.000 1.255 442 F CB -1.195 37.808 39.000 0.006 0.000 0.997 442 F HN 0.037 nan 8.300 nan 0.000 0.479 443 A N 0.225 123.176 122.820 0.217 0.000 1.902 443 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 443 A C 2.418 180.056 177.584 0.090 0.000 1.181 443 A CA 1.439 53.551 52.037 0.125 0.000 0.623 443 A CB -0.665 18.393 19.000 0.095 0.000 0.818 443 A HN 0.286 nan 8.150 nan 0.000 0.443 444 R N -0.248 120.304 120.500 0.085 0.000 2.096 444 R HA -0.158 4.181 4.340 -0.001 0.000 0.240 444 R C 1.771 178.105 176.300 0.058 0.000 1.139 444 R CA 1.892 58.028 56.100 0.061 0.000 0.952 444 R CB -0.642 29.689 30.300 0.052 0.000 0.854 444 R HN 0.809 nan 8.270 nan 0.000 0.436 445 I N -3.219 117.395 120.570 0.074 0.000 3.875 445 I HA 0.314 4.484 4.170 -0.001 0.000 0.329 445 I C 0.634 176.769 176.117 0.030 0.000 1.295 445 I CA 0.462 61.792 61.300 0.052 0.000 1.129 445 I CB 0.313 38.349 38.000 0.059 0.000 1.008 445 I HN 0.040 nan 8.210 nan 0.000 0.413 446 K N 0.614 121.036 120.400 0.037 0.000 3.281 446 K HA -0.225 4.095 4.320 -0.001 0.000 0.295 446 K C 1.156 177.736 176.600 -0.034 0.000 1.233 446 K CA 1.151 57.447 56.287 0.014 0.000 0.866 446 K CB -2.808 29.698 32.500 0.010 0.000 1.265 446 K HN 0.882 nan 8.250 nan 0.000 0.482 447 A N 1.479 124.255 122.820 -0.075 0.000 2.019 447 A HA -0.066 4.254 4.320 -0.001 0.000 0.219 447 A C 2.138 179.559 177.584 -0.271 0.000 1.164 447 A CA 1.916 53.790 52.037 -0.271 0.000 0.644 447 A CB -0.275 18.369 19.000 -0.594 0.000 0.805 447 A HN 1.065 nan 8.150 nan 0.000 0.449 448 D N 0.278 120.621 120.400 -0.095 0.000 2.144 448 D HA -0.101 4.539 4.640 -0.001 0.000 0.200 448 D C 1.836 178.118 176.300 -0.031 0.000 0.978 448 D CA 2.054 56.038 54.000 -0.027 0.000 0.833 448 D CB -0.744 40.109 40.800 0.088 0.000 0.961 448 D HN 0.435 nan 8.370 nan 0.000 0.470 449 K N 0.858 121.247 120.400 -0.018 0.000 2.026 449 K HA 0.003 4.322 4.320 -0.001 0.000 0.208 449 K C 2.277 178.860 176.600 -0.029 0.000 1.048 449 K CA 1.342 57.625 56.287 -0.006 0.000 0.929 449 K CB -1.418 31.085 32.500 0.005 0.000 0.713 449 K HN 0.222 nan 8.250 nan 0.000 0.439 450 L N 0.752 121.936 121.223 -0.065 0.000 2.042 450 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 450 L C 2.485 179.301 176.870 -0.090 0.000 1.076 450 L CA 1.625 56.418 54.840 -0.077 0.000 0.749 450 L CB -0.362 41.630 42.059 -0.112 0.000 0.893 450 L HN 0.201 nan 8.230 nan 0.000 0.432 451 V N -0.598 119.238 119.914 -0.130 0.000 2.332 451 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 451 V C 1.817 177.878 176.094 -0.055 0.000 1.055 451 V CA 1.360 63.583 62.300 -0.128 0.000 1.038 451 V CB -0.660 31.060 31.823 -0.172 0.000 0.651 451 V HN 0.398 nan 8.190 nan 0.000 0.450 455 L N 0.000 121.208 121.223 -0.024 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 455 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 455 L CB 0.000 42.013 42.059 -0.076 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502