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 2okg_1_B DATA FIRST_RESID 88 DATA SEQUENCE AKDVLGLTLL EKTLKERLNL KDAIIVSGDS DQSPWVKKEX GRAAVACXKK DATA SEQUENCE RFSGKNIVAV TGGTTIEAVA EXXTPDSKNR ELLFVPARGG LGEDVKNQAN DATA SEQUENCE TICAHXAEKA SGTYRLLFVP GQLSQGAYSS IIEEPSVKEV LNTIKSASXL DATA SEQUENCE VHGIGEAKTX AQRRNTPLED LKKIDDNDAV TEAFGYYFNA DGEVVHKVHS DATA SEQUENCE VGXQLDDIDA IPDIIAVAGG SSKAEAIEAY FKKPRNTVLV TDEGAAKKLL DATA SEQUENCE R 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 88 A HA 0.000 nan 4.320 nan 0.000 0.244 88 A C 0.000 177.589 177.584 0.009 0.000 1.274 88 A CA 0.000 52.042 52.037 0.009 0.000 0.836 88 A CB 0.000 19.007 19.000 0.011 0.000 0.831 89 K N 0.982 121.386 120.400 0.007 0.000 2.103 89 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 89 K C 1.528 178.129 176.600 0.002 0.000 1.048 89 K CA 1.849 58.138 56.287 0.004 0.000 0.930 89 K CB -0.786 31.714 32.500 0.000 0.000 0.716 89 K HN 0.627 nan 8.250 nan 0.000 0.444 90 D N 0.239 120.640 120.400 0.001 0.000 2.103 90 D HA -0.147 4.493 4.640 -0.000 0.000 0.190 90 D C 2.046 178.348 176.300 0.002 0.000 0.997 90 D CA 2.072 56.072 54.000 0.000 0.000 0.833 90 D CB -0.633 40.167 40.800 -0.000 0.000 0.961 90 D HN 0.317 nan 8.370 nan 0.000 0.447 91 V N -0.562 119.355 119.914 0.004 0.000 2.490 91 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 91 V C 2.391 178.490 176.094 0.008 0.000 1.061 91 V CA 1.193 63.496 62.300 0.006 0.000 1.064 91 V CB -1.010 30.817 31.823 0.007 0.000 0.670 91 V HN 0.118 nan 8.190 nan 0.000 0.461 92 L N 1.245 122.474 121.223 0.010 0.000 2.552 92 L HA 0.369 4.709 4.340 -0.000 0.000 0.227 92 L C 2.041 178.915 176.870 0.007 0.000 1.146 92 L CA 0.853 55.700 54.840 0.012 0.000 0.858 92 L CB -0.778 41.291 42.059 0.018 0.000 0.969 92 L HN 0.634 nan 8.230 nan 0.000 0.451 93 G N -0.085 108.717 108.800 0.004 0.000 2.162 93 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 93 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 93 G C 0.841 175.739 174.900 -0.002 0.000 0.976 93 G CA 0.435 45.535 45.100 0.000 0.000 0.655 93 G HN 0.331 nan 8.290 nan 0.000 0.533 94 L N -0.180 121.042 121.223 -0.002 0.000 2.156 94 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 94 L C 2.983 179.848 176.870 -0.009 0.000 1.095 94 L CA 1.891 56.728 54.840 -0.005 0.000 0.770 94 L CB -0.536 41.522 42.059 -0.002 0.000 0.914 94 L HN 0.409 nan 8.230 nan 0.000 0.439 95 T N 0.018 114.567 114.554 -0.008 0.000 2.746 95 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 95 T C 1.813 176.505 174.700 -0.013 0.000 1.039 95 T CA 1.487 63.581 62.100 -0.011 0.000 1.142 95 T CB -0.052 68.811 68.868 -0.009 0.000 0.866 95 T HN 0.162 nan 8.240 nan 0.000 0.444 96 L N 0.538 121.754 121.223 -0.011 0.000 2.109 96 L HA 0.228 4.568 4.340 -0.000 0.000 0.207 96 L C 2.155 179.016 176.870 -0.015 0.000 1.086 96 L CA 1.408 56.241 54.840 -0.012 0.000 0.760 96 L CB -0.961 41.092 42.059 -0.009 0.000 0.910 96 L HN 0.298 nan 8.230 nan 0.000 0.437 97 L N -0.226 120.989 121.223 -0.014 0.000 2.046 97 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 97 L C 2.421 179.277 176.870 -0.024 0.000 1.077 97 L CA 1.749 56.579 54.840 -0.017 0.000 0.747 97 L CB -0.583 41.467 42.059 -0.014 0.000 0.896 97 L HN 0.392 nan 8.230 nan 0.000 0.432 98 E N -0.811 119.374 120.200 -0.026 0.000 2.077 98 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 98 E C 2.126 178.702 176.600 -0.040 0.000 0.989 98 E CA 1.270 57.649 56.400 -0.035 0.000 0.800 98 E CB -0.157 29.523 29.700 -0.033 0.000 0.746 98 E HN 0.416 nan 8.360 nan 0.000 0.452 99 K N 0.509 120.890 120.400 -0.032 0.000 2.097 99 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 99 K C 2.043 178.623 176.600 -0.033 0.000 1.050 99 K CA 1.530 57.798 56.287 -0.032 0.000 0.938 99 K CB 0.055 32.541 32.500 -0.024 0.000 0.718 99 K HN 0.023 nan 8.250 nan 0.000 0.442 100 T N 1.858 116.395 114.554 -0.028 0.000 2.737 100 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 100 T C 1.698 176.378 174.700 -0.034 0.000 1.038 100 T CA 1.109 63.193 62.100 -0.026 0.000 1.144 100 T CB -0.183 68.674 68.868 -0.019 0.000 0.866 100 T HN 0.120 nan 8.240 nan 0.000 0.434 101 L N 1.537 122.736 121.223 -0.041 0.000 2.017 101 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 101 L C 2.422 179.243 176.870 -0.081 0.000 1.073 101 L CA 1.841 56.648 54.840 -0.055 0.000 0.745 101 L CB -0.565 41.459 42.059 -0.058 0.000 0.894 101 L HN 0.111 nan 8.230 nan 0.000 0.432 102 K N -0.568 119.782 120.400 -0.083 0.000 2.074 102 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 102 K C 1.879 178.429 176.600 -0.084 0.000 1.048 102 K CA 1.972 58.200 56.287 -0.099 0.000 0.926 102 K CB -0.133 32.319 32.500 -0.079 0.000 0.713 102 K HN 0.515 nan 8.250 nan 0.000 0.444 103 E N -0.071 120.094 120.200 -0.058 0.000 2.047 103 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 103 E C 2.191 178.766 176.600 -0.041 0.000 0.987 103 E CA 0.905 57.279 56.400 -0.044 0.000 0.799 103 E CB -0.108 29.573 29.700 -0.032 0.000 0.752 103 E HN 0.182 nan 8.360 nan 0.000 0.449 104 R N 1.336 121.813 120.500 -0.039 0.000 2.091 104 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 104 R C 1.895 178.177 176.300 -0.029 0.000 1.136 104 R CA 1.364 57.448 56.100 -0.027 0.000 0.959 104 R CB -0.303 29.984 30.300 -0.021 0.000 0.856 104 R HN 0.152 nan 8.270 nan 0.000 0.437 105 L N 0.206 121.391 121.223 -0.063 0.000 2.607 105 L HA 0.202 4.542 4.340 -0.000 0.000 0.228 105 L C -0.249 176.565 176.870 -0.094 0.000 1.123 105 L CA -0.148 54.647 54.840 -0.075 0.000 0.890 105 L CB -0.131 41.821 42.059 -0.179 0.000 1.103 105 L HN 0.249 nan 8.230 nan 0.000 0.468 106 N N 1.044 119.694 118.700 -0.083 0.000 2.738 106 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 106 N C -0.414 175.038 175.510 -0.097 0.000 1.047 106 N CA 0.746 53.756 53.050 -0.066 0.000 0.707 106 N CB -1.694 36.775 38.487 -0.029 0.000 0.937 106 N HN 0.303 nan 8.380 nan 0.000 0.545 107 L N 0.105 121.234 121.223 -0.157 0.000 2.421 107 L HA 0.234 4.574 4.340 -0.000 0.000 0.263 107 L C 1.943 178.750 176.870 -0.105 0.000 1.122 107 L CA -0.458 54.266 54.840 -0.193 0.000 0.804 107 L CB 0.761 42.648 42.059 -0.286 0.000 1.150 107 L HN 0.047 nan 8.230 nan 0.000 0.457 108 K N -0.171 120.183 120.400 -0.077 0.000 2.097 108 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 108 K C -0.292 176.275 176.600 -0.056 0.000 1.050 108 K CA 1.169 57.428 56.287 -0.046 0.000 0.938 108 K CB 0.332 32.819 32.500 -0.021 0.000 0.718 108 K HN 0.560 nan 8.250 nan 0.000 0.442 109 D N -2.141 118.214 120.400 -0.075 0.000 2.663 109 D HA 0.320 4.960 4.640 -0.000 0.000 0.233 109 D C -1.898 174.343 176.300 -0.098 0.000 1.240 109 D CA -0.377 53.579 54.000 -0.073 0.000 0.774 109 D CB 2.081 42.849 40.800 -0.054 0.000 1.443 109 D HN 0.122 nan 8.370 nan 0.000 0.441 110 A N 1.341 124.107 122.820 -0.089 0.000 2.355 110 A HA 0.769 5.089 4.320 -0.000 0.000 0.317 110 A C -1.027 176.519 177.584 -0.063 0.000 1.094 110 A CA -0.452 51.529 52.037 -0.092 0.000 0.764 110 A CB 0.721 19.660 19.000 -0.101 0.000 1.230 110 A HN 0.364 nan 8.150 nan 0.000 0.448 111 I N 2.525 123.062 120.570 -0.055 0.000 2.418 111 I HA 0.434 4.604 4.170 -0.000 0.000 0.287 111 I C -0.633 175.463 176.117 -0.034 0.000 1.008 111 I CA 0.130 61.406 61.300 -0.040 0.000 1.104 111 I CB 1.619 39.596 38.000 -0.038 0.000 1.264 111 I HN 0.520 nan 8.210 nan 0.000 0.438 112 I N 6.938 127.492 120.570 -0.027 0.000 2.436 112 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 112 I C -0.131 175.978 176.117 -0.013 0.000 1.010 112 I CA -1.067 60.220 61.300 -0.022 0.000 1.098 112 I CB 1.827 39.813 38.000 -0.023 0.000 1.266 112 I HN 0.303 nan 8.210 nan 0.000 0.434 113 V N 1.952 121.859 119.914 -0.011 0.000 2.973 113 V HA 0.534 4.654 4.120 -0.000 0.000 0.314 113 V C 0.400 176.494 176.094 0.001 0.000 1.066 113 V CA -0.489 61.812 62.300 0.001 0.000 1.021 113 V CB 1.586 33.413 31.823 0.007 0.000 1.076 113 V HN 0.704 nan 8.190 nan 0.000 0.462 114 S N 1.642 117.356 115.700 0.023 0.000 2.562 114 S HA 0.598 5.068 4.470 -0.000 0.000 0.281 114 S C 0.554 175.151 174.600 -0.005 0.000 1.333 114 S CA 0.751 58.968 58.200 0.028 0.000 1.052 114 S CB 0.245 63.486 63.200 0.068 0.000 0.884 114 S HN 2.190 nan 8.310 nan 0.000 0.506 115 G N 2.249 111.033 108.800 -0.026 0.000 2.698 115 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.225 115 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.225 115 G C -1.208 173.618 174.900 -0.123 0.000 1.345 115 G CA -0.254 44.797 45.100 -0.081 0.000 0.871 115 G HN 0.732 nan 8.290 nan 0.000 0.540 116 D N -0.699 119.594 120.400 -0.178 0.000 2.505 116 D HA 0.566 5.206 4.640 -0.000 0.000 0.250 116 D C 1.582 177.757 176.300 -0.209 0.000 1.164 116 D CA 0.406 54.315 54.000 -0.152 0.000 0.870 116 D CB 1.124 41.862 40.800 -0.104 0.000 1.160 116 D HN 0.823 nan 8.370 nan 0.000 0.549 117 S N 2.334 117.924 115.700 -0.183 0.000 2.493 117 S HA -0.164 4.306 4.470 -0.000 0.000 0.243 117 S C 1.039 175.551 174.600 -0.147 0.000 0.991 117 S CA 0.659 58.744 58.200 -0.192 0.000 0.957 117 S CB 0.053 63.175 63.200 -0.131 0.000 0.756 117 S HN 0.394 nan 8.310 nan 0.000 0.521 118 D N 1.227 121.560 120.400 -0.113 0.000 2.269 118 D HA 0.015 4.655 4.640 -0.000 0.000 0.208 118 D C 2.117 178.365 176.300 -0.086 0.000 0.963 118 D CA 0.838 54.790 54.000 -0.080 0.000 0.864 118 D CB -0.063 40.705 40.800 -0.054 0.000 0.936 118 D HN 0.444 nan 8.370 nan 0.000 0.505 119 Q N -0.468 119.258 119.800 -0.123 0.000 2.390 119 Q HA 0.200 4.540 4.340 -0.000 0.000 0.216 119 Q C 0.301 176.199 176.000 -0.170 0.000 0.916 119 Q CA 0.410 56.145 55.803 -0.112 0.000 0.911 119 Q CB 0.545 29.225 28.738 -0.097 0.000 1.035 119 Q HN -0.035 nan 8.270 nan 0.000 0.541 120 S N 2.694 118.191 115.700 -0.338 0.000 2.516 120 S HA 0.282 4.752 4.470 -0.000 0.000 0.268 120 S C -1.976 172.282 174.600 -0.570 0.000 1.251 120 S CA -1.046 56.749 58.200 -0.675 0.000 1.153 120 S CB 1.609 63.988 63.200 -1.368 0.000 1.009 120 S HN -0.041 nan 8.310 nan 0.000 0.479 121 P HA -0.140 nan 4.420 nan 0.000 0.217 121 P C 1.337 178.617 177.300 -0.034 0.000 1.151 121 P CA 1.032 64.085 63.100 -0.078 0.000 0.849 121 P CB -0.086 31.642 31.700 0.047 0.000 0.787 122 W N -0.963 120.339 121.300 0.004 0.000 2.424 122 W HA -0.086 4.574 4.660 0.000 0.000 0.264 122 W C 1.210 177.730 176.519 0.002 0.000 1.229 122 W CA 0.399 57.746 57.345 0.003 0.000 1.208 122 W CB -1.901 27.560 29.460 0.002 0.000 1.127 122 W HN -0.272 nan 8.180 nan 0.000 0.588 123 V N 1.880 121.537 119.914 -0.427 0.000 2.515 123 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 123 V C 2.739 178.776 176.094 -0.095 0.000 1.058 123 V CA 2.285 64.412 62.300 -0.289 0.000 1.064 123 V CB -0.979 30.590 31.823 -0.423 0.000 0.675 123 V HN 0.344 nan 8.190 nan 0.000 0.461 124 K N 0.480 120.834 120.400 -0.078 0.000 2.097 124 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 124 K C 2.153 178.760 176.600 0.012 0.000 1.049 124 K CA 1.420 57.690 56.287 -0.028 0.000 0.933 124 K CB -0.063 32.423 32.500 -0.023 0.000 0.717 124 K HN 0.438 nan 8.250 nan 0.000 0.442 125 K N 0.459 120.888 120.400 0.049 0.000 2.097 125 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 125 K C 0.780 177.419 176.600 0.064 0.000 1.049 125 K CA 0.784 57.112 56.287 0.069 0.000 0.933 125 K CB -0.012 32.555 32.500 0.111 0.000 0.717 125 K HN 0.155 nan 8.250 nan 0.000 0.442 129 R N 0.942 121.447 120.500 0.007 0.000 2.081 129 R HA 0.067 4.407 4.340 -0.000 0.000 0.235 129 R C 2.717 179.014 176.300 -0.005 0.000 1.131 129 R CA 2.120 58.224 56.100 0.006 0.000 0.960 129 R CB -0.285 30.026 30.300 0.018 0.000 0.856 129 R HN 0.364 nan 8.270 nan 0.000 0.436 130 A N 0.533 123.350 122.820 -0.006 0.000 1.930 130 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 130 A C 2.308 179.874 177.584 -0.030 0.000 1.175 130 A CA 1.482 53.509 52.037 -0.016 0.000 0.627 130 A CB -0.590 18.402 19.000 -0.014 0.000 0.815 130 A HN 0.525 nan 8.150 nan 0.000 0.443 131 A N -0.436 122.367 122.820 -0.028 0.000 1.902 131 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 131 A C 2.220 179.775 177.584 -0.049 0.000 1.181 131 A CA 1.766 53.780 52.037 -0.037 0.000 0.623 131 A CB -0.966 18.018 19.000 -0.027 0.000 0.818 131 A HN 0.371 nan 8.150 nan 0.000 0.443 132 V N -0.042 119.851 119.914 -0.035 0.000 2.287 132 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 132 V C 3.078 179.125 176.094 -0.077 0.000 1.053 132 V CA 2.081 64.359 62.300 -0.037 0.000 1.027 132 V CB -1.302 30.516 31.823 -0.008 0.000 0.646 132 V HN 0.629 nan 8.190 nan 0.000 0.447 133 A N -1.363 121.421 122.820 -0.060 0.000 1.908 133 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 133 A C 1.791 179.309 177.584 -0.111 0.000 1.181 133 A CA 1.592 53.588 52.037 -0.069 0.000 0.627 133 A CB -0.828 18.147 19.000 -0.041 0.000 0.818 133 A HN 0.602 nan 8.150 nan 0.000 0.445 137 K N 2.004 122.273 120.400 -0.218 0.000 2.211 137 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 137 K C 1.368 177.912 176.600 -0.094 0.000 1.050 137 K CA 1.330 57.550 56.287 -0.111 0.000 0.945 137 K CB 0.195 32.642 32.500 -0.088 0.000 0.732 137 K HN 0.048 nan 8.250 nan 0.000 0.451 138 R N -0.830 119.572 120.500 -0.164 0.000 2.397 138 R HA 0.146 4.486 4.340 -0.000 0.000 0.241 138 R C -0.237 176.084 176.300 0.036 0.000 0.914 138 R CA -0.457 55.599 56.100 -0.074 0.000 1.071 138 R CB 0.313 30.564 30.300 -0.082 0.000 1.116 138 R HN -0.058 nan 8.270 nan 0.000 0.524 139 F N 1.269 121.217 119.950 -0.005 0.000 2.572 139 F HA 0.058 4.585 4.527 -0.000 0.000 0.370 139 F C 1.215 177.006 175.800 -0.016 0.000 1.103 139 F CA -0.210 57.781 58.000 -0.015 0.000 1.286 139 F CB 0.514 39.507 39.000 -0.011 0.000 1.105 139 F HN -0.119 nan 8.300 nan 0.000 0.583 140 S N 1.372 117.182 115.700 0.183 0.000 2.666 140 S HA 0.410 4.880 4.470 -0.000 0.000 0.279 140 S C 1.500 176.116 174.600 0.027 0.000 1.149 140 S CA -0.206 58.039 58.200 0.075 0.000 1.020 140 S CB 0.820 64.042 63.200 0.037 0.000 1.127 140 S HN 0.805 nan 8.310 nan 0.000 0.537 141 G N -0.206 108.595 108.800 0.000 0.000 2.422 141 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.218 141 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.218 141 G C 0.304 175.164 174.900 -0.065 0.000 1.140 141 G CA 0.849 45.935 45.100 -0.024 0.000 0.775 141 G HN 0.458 nan 8.290 nan 0.000 0.545 142 K N 0.207 120.563 120.400 -0.072 0.000 2.427 142 K HA 0.403 4.723 4.320 -0.000 0.000 0.252 142 K C -1.456 175.069 176.600 -0.126 0.000 0.931 142 K CA -0.772 55.453 56.287 -0.104 0.000 0.793 142 K CB 1.322 33.779 32.500 -0.072 0.000 1.211 142 K HN 0.037 nan 8.250 nan 0.000 0.426 143 N N 4.049 122.630 118.700 -0.199 0.000 2.287 143 N HA 0.416 5.156 4.740 -0.000 0.000 0.289 143 N C -1.296 174.069 175.510 -0.241 0.000 1.066 143 N CA -0.523 52.393 53.050 -0.223 0.000 0.841 143 N CB 1.922 40.172 38.487 -0.395 0.000 1.599 143 N HN 0.437 nan 8.380 nan 0.000 0.476 144 I N 1.839 122.310 120.570 -0.165 0.000 2.420 144 I HA 0.268 4.438 4.170 -0.000 0.000 0.282 144 I C -0.501 175.543 176.117 -0.121 0.000 1.019 144 I CA -0.803 60.406 61.300 -0.151 0.000 1.130 144 I CB 1.722 39.674 38.000 -0.080 0.000 1.262 144 I HN 0.055 nan 8.210 nan 0.000 0.454 145 V N 5.866 125.665 119.914 -0.192 0.000 2.328 145 V HA 0.534 4.654 4.120 -0.000 0.000 0.278 145 V C 0.606 176.739 176.094 0.065 0.000 1.021 145 V CA -0.556 61.703 62.300 -0.069 0.000 0.838 145 V CB 1.327 33.058 31.823 -0.153 0.000 0.999 145 V HN 0.785 nan 8.190 nan 0.000 0.447 146 A N 5.362 128.229 122.820 0.078 0.000 2.331 146 A HA 0.784 5.104 4.320 -0.000 0.000 0.283 146 A C -0.436 177.231 177.584 0.138 0.000 1.142 146 A CA -0.317 51.776 52.037 0.094 0.000 0.812 146 A CB 0.867 19.890 19.000 0.037 0.000 1.074 146 A HN 0.688 nan 8.150 nan 0.000 0.497 147 V N 2.013 122.018 119.914 0.151 0.000 2.789 147 V HA 0.593 4.713 4.120 -0.000 0.000 0.311 147 V C 0.573 176.748 176.094 0.135 0.000 1.073 147 V CA -0.112 62.284 62.300 0.159 0.000 0.921 147 V CB 2.048 33.976 31.823 0.176 0.000 1.009 147 V HN 1.178 nan 8.190 nan 0.000 0.426 148 T N 1.295 115.937 114.554 0.147 0.000 2.884 148 T HA 0.781 5.131 4.350 -0.000 0.000 0.277 148 T C 0.511 175.278 174.700 0.110 0.000 0.976 148 T CA 0.102 62.288 62.100 0.145 0.000 0.956 148 T CB 1.734 70.722 68.868 0.200 0.000 1.113 148 T HN 0.921 nan 8.240 nan 0.000 0.554 149 G N -1.608 107.252 108.800 0.099 0.000 2.641 149 G HA2 0.647 4.607 3.960 -0.000 0.000 0.239 149 G HA3 0.647 4.607 3.960 -0.000 0.000 0.239 149 G C 0.452 175.390 174.900 0.064 0.000 1.402 149 G CA -0.493 44.653 45.100 0.076 0.000 1.046 149 G HN 1.831 nan 8.290 nan 0.000 0.565 150 G N -2.748 106.083 108.800 0.052 0.000 2.699 150 G HA2 0.196 4.156 3.960 -0.000 0.000 0.686 150 G HA3 0.196 4.156 3.960 -0.000 0.000 0.686 150 G C 0.868 175.789 174.900 0.035 0.000 1.301 150 G CA 0.618 45.742 45.100 0.039 0.000 0.816 150 G HN 1.733 nan 8.290 nan 0.000 0.595 151 T N -2.722 111.848 114.554 0.027 0.000 2.915 151 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 151 T C 2.299 177.012 174.700 0.022 0.000 1.071 151 T CA 2.651 64.766 62.100 0.025 0.000 1.132 151 T CB -0.352 68.527 68.868 0.019 0.000 0.878 151 T HN 0.880 nan 8.240 nan 0.000 0.479 152 T N 2.564 117.127 114.554 0.015 0.000 2.812 152 T HA 0.100 4.450 4.350 -0.000 0.000 0.264 152 T C 1.807 176.513 174.700 0.011 0.000 1.042 152 T CA 0.909 63.013 62.100 0.008 0.000 1.140 152 T CB -0.219 68.647 68.868 -0.003 0.000 0.870 152 T HN 0.273 nan 8.240 nan 0.000 0.445 153 I N 1.651 122.233 120.570 0.020 0.000 2.493 153 I HA -0.031 4.139 4.170 -0.000 0.000 0.254 153 I C 2.511 178.638 176.117 0.017 0.000 1.160 153 I CA 1.068 62.381 61.300 0.022 0.000 1.445 153 I CB -1.257 36.770 38.000 0.044 0.000 1.086 153 I HN 0.240 nan 8.210 nan 0.000 0.433 154 E N 1.965 122.185 120.200 0.034 0.000 2.110 154 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 154 E C 2.186 178.814 176.600 0.047 0.000 0.988 154 E CA 1.674 58.109 56.400 0.059 0.000 0.804 154 E CB -0.158 29.585 29.700 0.072 0.000 0.745 154 E HN 0.369 nan 8.360 nan 0.000 0.458 155 A N 0.116 122.954 122.820 0.030 0.000 1.930 155 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 155 A C 2.473 180.054 177.584 -0.004 0.000 1.175 155 A CA 1.438 53.488 52.037 0.023 0.000 0.627 155 A CB -0.652 18.361 19.000 0.021 0.000 0.815 155 A HN 0.187 nan 8.150 nan 0.000 0.443 156 V N 0.059 119.964 119.914 -0.016 0.000 2.255 156 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 156 V C 3.078 179.119 176.094 -0.087 0.000 1.051 156 V CA 2.046 64.326 62.300 -0.033 0.000 1.018 156 V CB -1.430 30.383 31.823 -0.018 0.000 0.641 156 V HN 0.610 nan 8.190 nan 0.000 0.445 157 A N -0.298 122.436 122.820 -0.143 0.000 1.917 157 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 157 A C 1.563 178.882 177.584 -0.442 0.000 1.182 157 A CA 1.810 53.632 52.037 -0.359 0.000 0.633 157 A CB -0.439 18.302 19.000 -0.432 0.000 0.819 157 A HN 0.608 nan 8.150 nan 0.000 0.448 162 P HA 0.319 nan 4.420 nan 0.000 0.268 162 P C -0.690 176.668 177.300 0.097 0.000 1.208 162 P CA -0.001 63.146 63.100 0.078 0.000 0.777 162 P CB 0.225 31.959 31.700 0.055 0.000 0.875 163 D N -0.032 120.435 120.400 0.112 0.000 2.348 163 D HA 0.066 4.706 4.640 -0.000 0.000 0.253 163 D C 1.067 177.417 176.300 0.083 0.000 1.161 163 D CA 0.081 54.159 54.000 0.130 0.000 0.876 163 D CB 0.649 41.533 40.800 0.140 0.000 1.160 163 D HN 0.208 nan 8.370 nan 0.000 0.459 164 S N 3.436 119.183 115.700 0.078 0.000 2.428 164 S HA -0.107 4.363 4.470 -0.000 0.000 0.230 164 S C 1.351 175.980 174.600 0.048 0.000 1.014 164 S CA 0.579 58.811 58.200 0.054 0.000 0.957 164 S CB -0.106 63.122 63.200 0.047 0.000 0.784 164 S HN 0.500 nan 8.310 nan 0.000 0.499 165 K N 1.023 121.460 120.400 0.060 0.000 2.459 165 K HA 0.156 4.476 4.320 -0.000 0.000 0.193 165 K C 0.288 176.909 176.600 0.035 0.000 1.030 165 K CA 0.306 56.623 56.287 0.049 0.000 1.026 165 K CB -0.267 32.271 32.500 0.062 0.000 0.809 165 K HN 0.391 nan 8.250 nan 0.000 0.504 166 N N 1.868 120.589 118.700 0.035 0.000 2.740 166 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 166 N C -1.134 174.370 175.510 -0.009 0.000 1.062 166 N CA 0.477 53.536 53.050 0.015 0.000 0.704 166 N CB -0.837 37.657 38.487 0.013 0.000 0.968 166 N HN 0.203 nan 8.380 nan 0.000 0.547 167 R N 0.355 120.842 120.500 -0.021 0.000 2.615 167 R HA 0.224 4.564 4.340 -0.000 0.000 0.270 167 R C 0.389 176.607 176.300 -0.136 0.000 1.081 167 R CA -0.409 55.649 56.100 -0.071 0.000 1.154 167 R CB 0.544 30.804 30.300 -0.066 0.000 1.063 167 R HN 0.360 nan 8.270 nan 0.000 0.519 168 E N 1.937 122.048 120.200 -0.149 0.000 2.289 168 E HA 0.174 4.524 4.350 -0.000 0.000 0.278 168 E C -1.103 175.332 176.600 -0.274 0.000 1.032 168 E CA -0.264 56.041 56.400 -0.159 0.000 0.854 168 E CB 0.558 30.190 29.700 -0.114 0.000 1.046 168 E HN 0.306 nan 8.360 nan 0.000 0.409 169 L N 5.751 126.816 121.223 -0.262 0.000 2.404 169 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 169 L C -1.177 175.498 176.870 -0.324 0.000 0.980 169 L CA -1.000 53.577 54.840 -0.438 0.000 0.836 169 L CB 1.430 43.236 42.059 -0.421 0.000 1.238 169 L HN 0.484 nan 8.230 nan 0.000 0.408 170 L N 3.603 124.580 121.223 -0.409 0.000 2.325 170 L HA 0.637 4.977 4.340 -0.000 0.000 0.281 170 L C -1.322 175.368 176.870 -0.300 0.000 1.004 170 L CA 0.095 54.814 54.840 -0.202 0.000 0.823 170 L CB 1.181 43.171 42.059 -0.114 0.000 1.236 170 L HN 0.210 nan 8.230 nan 0.000 0.415 171 F N 5.066 125.054 119.950 0.064 0.000 2.421 171 F HA 0.719 5.246 4.527 -0.000 0.000 0.337 171 F C 0.197 176.059 175.800 0.104 0.000 1.105 171 F CA -0.603 57.446 58.000 0.082 0.000 1.049 171 F CB 1.965 41.021 39.000 0.092 0.000 1.139 171 F HN 0.406 nan 8.300 nan 0.000 0.479 172 V N 0.871 120.931 119.914 0.243 0.000 2.876 172 V HA 0.707 4.827 4.120 -0.000 0.000 0.312 172 V C -2.896 173.293 176.094 0.158 0.000 1.085 172 V CA -2.966 59.439 62.300 0.176 0.000 0.945 172 V CB 1.917 33.800 31.823 0.100 0.000 1.017 172 V HN 0.446 nan 8.190 nan 0.000 0.428 173 P HA 0.319 nan 4.420 nan 0.000 0.276 173 P C 0.537 177.890 177.300 0.088 0.000 1.235 173 P CA 0.188 63.358 63.100 0.117 0.000 0.772 173 P CB 1.645 33.415 31.700 0.116 0.000 0.871 174 A N 5.071 127.939 122.820 0.081 0.000 1.897 174 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 174 A C 0.888 178.500 177.584 0.046 0.000 1.181 174 A CA 1.212 53.277 52.037 0.047 0.000 0.620 174 A CB -0.182 18.835 19.000 0.028 0.000 0.821 174 A HN 0.559 nan 8.150 nan 0.000 0.443 175 R N -2.145 118.397 120.500 0.070 0.000 2.522 175 R HA 0.458 4.798 4.340 -0.000 0.000 0.273 175 R C -0.475 175.863 176.300 0.063 0.000 1.133 175 R CA 0.199 56.341 56.100 0.070 0.000 0.969 175 R CB 1.755 32.124 30.300 0.115 0.000 1.235 175 R HN 0.392 nan 8.270 nan 0.000 0.433 176 G N -0.707 108.111 108.800 0.030 0.000 3.176 176 G HA2 0.517 4.477 3.960 -0.000 0.000 0.272 176 G HA3 0.517 4.477 3.960 -0.000 0.000 0.272 176 G C 0.334 175.218 174.900 -0.026 0.000 1.349 176 G CA -0.278 44.828 45.100 0.011 0.000 0.953 176 G HN 0.750 nan 8.290 nan 0.000 0.559 177 G N -1.391 107.361 108.800 -0.080 0.000 2.283 177 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.280 177 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.280 177 G C 0.719 175.605 174.900 -0.023 0.000 1.029 177 G CA 0.686 45.734 45.100 -0.087 0.000 0.840 177 G HN 0.646 nan 8.290 nan 0.000 0.505 178 L N -0.276 120.949 121.223 0.004 0.000 2.592 178 L HA 0.438 4.778 4.340 -0.000 0.000 0.227 178 L C 2.195 179.093 176.870 0.047 0.000 1.127 178 L CA 1.314 56.169 54.840 0.025 0.000 0.884 178 L CB -0.434 41.643 42.059 0.030 0.000 1.065 178 L HN 1.295 nan 8.230 nan 0.000 0.457 179 G N -1.173 107.654 108.800 0.045 0.000 2.141 179 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.231 179 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.231 179 G C 0.316 175.255 174.900 0.066 0.000 0.984 179 G CA -0.231 44.903 45.100 0.057 0.000 0.660 179 G HN 0.302 nan 8.290 nan 0.000 0.525 180 E N 1.194 121.437 120.200 0.071 0.000 2.373 180 E HA 0.282 4.632 4.350 -0.000 0.000 0.263 180 E C 0.143 176.792 176.600 0.083 0.000 1.073 180 E CA -0.500 55.944 56.400 0.072 0.000 0.894 180 E CB 0.639 30.381 29.700 0.070 0.000 1.008 180 E HN 0.302 nan 8.360 nan 0.000 0.420 181 D N 0.937 121.376 120.400 0.066 0.000 2.419 181 D HA -0.067 4.573 4.640 -0.000 0.000 0.236 181 D C 1.407 177.747 176.300 0.068 0.000 1.165 181 D CA -0.022 54.015 54.000 0.062 0.000 0.882 181 D CB 0.894 41.719 40.800 0.041 0.000 1.201 181 D HN 0.066 nan 8.370 nan 0.000 0.443 182 V N 2.532 122.483 119.914 0.061 0.000 2.380 182 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 182 V C 2.260 178.375 176.094 0.035 0.000 1.063 182 V CA 2.398 64.729 62.300 0.052 0.000 1.055 182 V CB -0.680 31.147 31.823 0.006 0.000 0.657 182 V HN 0.673 nan 8.190 nan 0.000 0.455 183 K N 0.141 120.553 120.400 0.021 0.000 2.360 183 K HA -0.133 4.187 4.320 -0.000 0.000 0.201 183 K C 1.304 177.919 176.600 0.025 0.000 1.046 183 K CA 1.752 58.045 56.287 0.010 0.000 0.945 183 K CB -0.235 32.266 32.500 0.003 0.000 0.750 183 K HN 0.404 nan 8.250 nan 0.000 0.464 184 N N 0.798 119.522 118.700 0.040 0.000 2.184 184 N HA 0.038 4.778 4.740 -0.000 0.000 0.206 184 N C -0.564 174.983 175.510 0.061 0.000 1.151 184 N CA 0.043 53.121 53.050 0.047 0.000 0.878 184 N CB 0.602 39.116 38.487 0.044 0.000 1.014 184 N HN 0.333 nan 8.380 nan 0.000 0.512 185 Q N 0.193 120.037 119.800 0.074 0.000 2.332 185 Q HA 0.294 4.634 4.340 -0.000 0.000 0.263 185 Q C 1.085 177.138 176.000 0.088 0.000 0.979 185 Q CA -0.201 55.660 55.803 0.096 0.000 0.885 185 Q CB 1.071 29.894 28.738 0.141 0.000 1.218 185 Q HN 0.148 nan 8.270 nan 0.000 0.405 186 A N 3.174 126.050 122.820 0.094 0.000 1.958 186 A HA -0.313 4.007 4.320 -0.000 0.000 0.221 186 A C 1.758 179.399 177.584 0.094 0.000 1.178 186 A CA 2.309 54.402 52.037 0.093 0.000 0.642 186 A CB -0.517 18.543 19.000 0.101 0.000 0.816 186 A HN 0.867 nan 8.150 nan 0.000 0.453 187 N N -0.930 117.840 118.700 0.116 0.000 2.309 187 N HA -0.092 4.648 4.740 -0.000 0.000 0.182 187 N C 1.575 177.123 175.510 0.064 0.000 1.018 187 N CA 2.045 55.169 53.050 0.125 0.000 0.876 187 N CB -0.278 38.329 38.487 0.200 0.000 0.972 187 N HN 0.448 nan 8.380 nan 0.000 0.434 188 T N -0.094 114.489 114.554 0.049 0.000 2.852 188 T HA 0.121 4.471 4.350 -0.000 0.000 0.256 188 T C 1.916 176.611 174.700 -0.008 0.000 1.038 188 T CA 0.687 62.788 62.100 0.002 0.000 1.141 188 T CB -0.070 68.805 68.868 0.012 0.000 0.869 188 T HN 0.142 nan 8.240 nan 0.000 0.439 189 I N 1.123 121.708 120.570 0.025 0.000 2.226 189 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 189 I C 2.871 178.969 176.117 -0.031 0.000 1.100 189 I CA 0.696 62.014 61.300 0.030 0.000 1.374 189 I CB -0.383 37.644 38.000 0.045 0.000 1.057 189 I HN 0.389 nan 8.210 nan 0.000 0.413 190 C N 1.104 120.392 119.300 -0.020 0.000 2.413 190 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 190 C C 3.184 178.064 174.990 -0.184 0.000 1.236 190 C CA 1.159 60.157 59.018 -0.034 0.000 1.735 190 C CB -1.052 26.740 27.740 0.087 0.000 2.031 190 C HN 0.550 nan 8.230 nan 0.000 0.474 191 A N -0.437 122.212 122.820 -0.284 0.000 1.902 191 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 191 A C 1.525 178.857 177.584 -0.420 0.000 1.181 191 A CA 1.399 53.015 52.037 -0.702 0.000 0.623 191 A CB -1.272 17.247 19.000 -0.802 0.000 0.818 191 A HN 0.931 nan 8.150 nan 0.000 0.443 195 E N 0.982 121.125 120.200 -0.095 0.000 2.077 195 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 195 E C 1.348 177.938 176.600 -0.016 0.000 0.989 195 E CA 1.274 57.672 56.400 -0.003 0.000 0.800 195 E CB -0.124 29.584 29.700 0.013 0.000 0.746 195 E HN 0.398 nan 8.360 nan 0.000 0.452 196 K N 0.360 120.706 120.400 -0.090 0.000 2.148 196 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 196 K C 1.847 178.422 176.600 -0.042 0.000 1.050 196 K CA 0.869 57.107 56.287 -0.083 0.000 0.942 196 K CB -0.032 32.352 32.500 -0.194 0.000 0.724 196 K HN 0.051 nan 8.250 nan 0.000 0.446 197 A N 0.538 123.330 122.820 -0.046 0.000 2.251 197 A HA 0.064 4.384 4.320 -0.000 0.000 0.209 197 A C 0.659 178.300 177.584 0.095 0.000 1.187 197 A CA 0.301 52.377 52.037 0.065 0.000 0.823 197 A CB -0.012 19.093 19.000 0.175 0.000 0.846 197 A HN 0.171 nan 8.150 nan 0.000 0.486 198 S N -1.169 114.573 115.700 0.070 0.000 3.581 198 S HA -0.145 4.325 4.470 -0.000 0.000 0.354 198 S C 0.845 175.511 174.600 0.110 0.000 1.059 198 S CA 0.521 58.768 58.200 0.079 0.000 1.060 198 S CB -1.658 61.577 63.200 0.058 0.000 0.908 198 S HN 1.297 nan 8.310 nan 0.000 0.475 199 G N 0.492 109.399 108.800 0.179 0.000 2.736 199 G HA2 0.771 4.731 3.960 -0.000 0.000 0.229 199 G HA3 0.771 4.731 3.960 -0.000 0.000 0.229 199 G C -0.028 175.011 174.900 0.231 0.000 1.380 199 G CA 0.148 45.385 45.100 0.227 0.000 1.040 199 G HN 0.736 nan 8.290 nan 0.000 0.568 200 T N -2.818 111.883 114.554 0.244 0.000 2.926 200 T HA 0.712 5.062 4.350 -0.000 0.000 0.289 200 T C -0.953 173.948 174.700 0.334 0.000 1.054 200 T CA -0.643 61.574 62.100 0.195 0.000 1.015 200 T CB 1.823 70.715 68.868 0.039 0.000 1.167 200 T HN 1.161 nan 8.240 nan 0.000 0.526 201 Y N -1.711 118.665 120.300 0.127 0.000 2.597 201 Y HA 0.835 5.385 4.550 -0.000 0.000 0.340 201 Y C -1.142 174.810 175.900 0.087 0.000 1.097 201 Y CA -1.549 56.636 58.100 0.140 0.000 1.037 201 Y CB 1.377 39.917 38.460 0.134 0.000 1.305 201 Y HN 0.586 nan 8.280 nan 0.000 0.463 202 R N 2.402 123.024 120.500 0.202 0.000 2.637 202 R HA 0.550 4.890 4.340 -0.000 0.000 0.291 202 R C -1.210 175.231 176.300 0.236 0.000 0.963 202 R CA -1.022 55.140 56.100 0.103 0.000 0.901 202 R CB 2.328 32.674 30.300 0.076 0.000 1.160 202 R HN 0.859 nan 8.270 nan 0.000 0.457 203 L N 2.947 124.282 121.223 0.187 0.000 2.350 203 L HA 0.431 4.771 4.340 -0.000 0.000 0.275 203 L C -0.209 176.750 176.870 0.149 0.000 1.099 203 L CA -0.735 54.229 54.840 0.207 0.000 0.808 203 L CB 0.697 42.864 42.059 0.180 0.000 1.149 203 L HN 0.300 nan 8.230 nan 0.000 0.442 204 L N 4.333 125.655 121.223 0.165 0.000 2.555 204 L HA 0.448 4.788 4.340 -0.000 0.000 0.264 204 L C -1.639 175.347 176.870 0.194 0.000 0.972 204 L CA -0.010 54.911 54.840 0.136 0.000 0.876 204 L CB 1.347 43.459 42.059 0.089 0.000 1.216 204 L HN 0.343 nan 8.230 nan 0.000 0.415 205 F N 5.960 125.937 119.950 0.044 0.000 2.445 205 F HA 0.756 5.283 4.527 -0.000 0.000 0.348 205 F C -1.231 174.593 175.800 0.040 0.000 1.125 205 F CA -0.567 57.460 58.000 0.045 0.000 0.983 205 F CB 1.491 40.518 39.000 0.044 0.000 1.198 205 F HN 0.136 nan 8.300 nan 0.000 0.436 206 V N 8.229 127.868 119.914 -0.458 0.000 2.445 206 V HA 0.352 4.472 4.120 -0.000 0.000 0.283 206 V C -2.125 173.707 176.094 -0.437 0.000 1.014 206 V CA -1.385 60.719 62.300 -0.326 0.000 0.852 206 V CB 1.298 33.043 31.823 -0.131 0.000 1.021 206 V HN 0.597 nan 8.190 nan 0.000 0.435 207 P HA 0.215 nan 4.420 nan 0.000 0.273 207 P C 1.006 178.250 177.300 -0.094 0.000 1.250 207 P CA 0.024 62.897 63.100 -0.378 0.000 0.793 207 P CB 1.282 32.855 31.700 -0.211 0.000 1.011 208 G N 0.233 109.002 108.800 -0.050 0.000 2.430 208 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 208 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 208 G C 0.903 175.811 174.900 0.012 0.000 1.146 208 G CA 0.337 45.437 45.100 -0.000 0.000 0.793 208 G HN 0.448 nan 8.290 nan 0.000 0.537 209 Q N 0.531 120.338 119.800 0.012 0.000 2.268 209 Q HA 0.346 4.686 4.340 -0.000 0.000 0.289 209 Q C 0.076 176.087 176.000 0.018 0.000 0.893 209 Q CA -0.229 55.575 55.803 0.002 0.000 1.057 209 Q CB 0.522 29.262 28.738 0.004 0.000 1.173 209 Q HN 0.392 nan 8.270 nan 0.000 0.449 210 L N 1.632 122.885 121.223 0.050 0.000 2.456 210 L HA 0.076 4.416 4.340 -0.000 0.000 0.272 210 L C 1.141 178.042 176.870 0.051 0.000 1.189 210 L CA -0.085 54.804 54.840 0.083 0.000 0.846 210 L CB 0.357 42.522 42.059 0.176 0.000 1.111 210 L HN 0.209 nan 8.230 nan 0.000 0.475 211 S N 1.757 117.487 115.700 0.049 0.000 2.572 211 S HA -0.035 4.435 4.470 -0.000 0.000 0.267 211 S C 0.775 175.408 174.600 0.055 0.000 1.361 211 S CA -0.303 57.915 58.200 0.029 0.000 1.009 211 S CB 0.755 63.974 63.200 0.031 0.000 0.888 211 S HN 0.697 nan 8.310 nan 0.000 0.553 212 Q N 1.562 121.375 119.800 0.022 0.000 2.096 212 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 212 Q C 2.393 178.456 176.000 0.105 0.000 0.982 212 Q CA 1.538 57.372 55.803 0.052 0.000 0.850 212 Q CB -0.896 27.850 28.738 0.013 0.000 0.901 212 Q HN 0.976 nan 8.270 nan 0.000 0.422 213 G N 0.747 109.588 108.800 0.068 0.000 2.421 213 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 213 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 213 G C 1.499 176.444 174.900 0.075 0.000 1.171 213 G CA 0.886 46.023 45.100 0.063 0.000 0.775 213 G HN 0.428 nan 8.290 nan 0.000 0.543 214 A N -0.280 122.590 122.820 0.084 0.000 1.930 214 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 214 A C 2.217 179.864 177.584 0.106 0.000 1.175 214 A CA 1.666 53.752 52.037 0.081 0.000 0.627 214 A CB -0.613 18.434 19.000 0.078 0.000 0.815 214 A HN 0.482 nan 8.150 nan 0.000 0.443 215 Y N 0.358 120.673 120.300 0.026 0.000 2.200 215 Y HA -0.126 4.424 4.550 -0.000 0.000 0.290 215 Y C 2.902 178.822 175.900 0.032 0.000 1.137 215 Y CA 1.674 59.796 58.100 0.037 0.000 1.163 215 Y CB -0.369 38.137 38.460 0.077 0.000 0.988 215 Y HN 0.317 nan 8.280 nan 0.000 0.518 216 S N -1.218 114.574 115.700 0.153 0.000 2.383 216 S HA -0.239 4.231 4.470 -0.000 0.000 0.229 216 S C 2.354 176.936 174.600 -0.030 0.000 1.030 216 S CA 1.704 59.938 58.200 0.058 0.000 1.002 216 S CB -0.826 62.429 63.200 0.091 0.000 0.829 216 S HN 0.600 nan 8.310 nan 0.000 0.467 217 S N 0.185 115.875 115.700 -0.016 0.000 2.377 217 S HA 0.091 4.561 4.470 -0.000 0.000 0.223 217 S C 1.839 176.403 174.600 -0.061 0.000 1.030 217 S CA 0.909 59.094 58.200 -0.025 0.000 0.970 217 S CB -0.509 62.691 63.200 -0.000 0.000 0.830 217 S HN 0.624 nan 8.310 nan 0.000 0.473 218 I N 2.231 122.746 120.570 -0.092 0.000 2.361 218 I HA -0.100 4.070 4.170 -0.000 0.000 0.251 218 I C 1.973 177.993 176.117 -0.162 0.000 1.133 218 I CA 1.356 62.589 61.300 -0.111 0.000 1.413 218 I CB -0.151 37.787 38.000 -0.103 0.000 1.073 218 I HN 0.535 nan 8.210 nan 0.000 0.424 219 I N -2.197 118.216 120.570 -0.261 0.000 3.291 219 I HA -0.036 4.134 4.170 -0.000 0.000 0.279 219 I C 1.345 177.381 176.117 -0.134 0.000 1.294 219 I CA 0.820 61.969 61.300 -0.252 0.000 1.428 219 I CB -0.400 37.365 38.000 -0.392 0.000 1.070 219 I HN 0.090 nan 8.210 nan 0.000 0.478 220 E N 1.747 121.888 120.200 -0.098 0.000 2.479 220 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 220 E C 0.124 176.698 176.600 -0.043 0.000 1.049 220 E CA 0.136 56.502 56.400 -0.057 0.000 0.870 220 E CB 0.049 29.725 29.700 -0.040 0.000 0.944 220 E HN 0.658 nan 8.360 nan 0.000 0.492 221 E N 1.551 121.723 120.200 -0.047 0.000 2.360 221 E HA 0.027 4.377 4.350 -0.000 0.000 0.269 221 E C -1.743 174.843 176.600 -0.024 0.000 1.022 221 E CA -1.591 54.791 56.400 -0.029 0.000 0.887 221 E CB 0.787 30.474 29.700 -0.023 0.000 0.990 221 E HN -0.127 nan 8.360 nan 0.000 0.426 222 P HA -0.248 nan 4.420 nan 0.000 0.216 222 P C 1.571 178.863 177.300 -0.012 0.000 1.153 222 P CA 1.709 64.801 63.100 -0.014 0.000 0.858 222 P CB 0.120 31.813 31.700 -0.010 0.000 0.789 223 S N -1.513 114.182 115.700 -0.008 0.000 2.399 223 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 223 S C 1.944 176.542 174.600 -0.003 0.000 1.022 223 S CA 1.458 59.657 58.200 -0.002 0.000 0.983 223 S CB -1.616 61.589 63.200 0.008 0.000 0.803 223 S HN -0.032 nan 8.310 nan 0.000 0.480 224 V N 2.088 121.994 119.914 -0.013 0.000 2.302 224 V HA -0.065 4.055 4.120 -0.000 0.000 0.243 224 V C 2.714 178.791 176.094 -0.029 0.000 1.036 224 V CA 1.803 64.088 62.300 -0.024 0.000 1.020 224 V CB -0.707 31.084 31.823 -0.053 0.000 0.657 224 V HN 0.442 nan 8.190 nan 0.000 0.453 225 K N 0.061 120.441 120.400 -0.032 0.000 2.044 225 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 225 K C 2.165 178.754 176.600 -0.018 0.000 1.049 225 K CA 2.071 58.342 56.287 -0.028 0.000 0.927 225 K CB -0.230 32.254 32.500 -0.026 0.000 0.713 225 K HN 0.556 nan 8.250 nan 0.000 0.443 226 E N 0.189 120.380 120.200 -0.014 0.000 2.077 226 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 226 E C 1.994 178.590 176.600 -0.006 0.000 0.989 226 E CA 1.339 57.732 56.400 -0.011 0.000 0.800 226 E CB 0.027 29.721 29.700 -0.010 0.000 0.746 226 E HN 0.050 nan 8.360 nan 0.000 0.452 227 V N 1.333 121.246 119.914 -0.001 0.000 2.548 227 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 227 V C 2.218 178.315 176.094 0.005 0.000 1.055 227 V CA 1.195 63.500 62.300 0.009 0.000 1.065 227 V CB -0.383 31.454 31.823 0.024 0.000 0.681 227 V HN 0.267 nan 8.190 nan 0.000 0.462 228 L N 0.033 121.253 121.223 -0.004 0.000 2.046 228 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 228 L C 2.411 179.277 176.870 -0.007 0.000 1.077 228 L CA 1.595 56.431 54.840 -0.007 0.000 0.747 228 L CB -0.715 41.333 42.059 -0.018 0.000 0.896 228 L HN 0.359 nan 8.230 nan 0.000 0.432 229 N N -0.484 118.211 118.700 -0.009 0.000 2.120 229 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 229 N C 1.797 177.302 175.510 -0.009 0.000 1.024 229 N CA 1.732 54.777 53.050 -0.009 0.000 0.852 229 N CB -0.309 38.172 38.487 -0.010 0.000 1.003 229 N HN 0.186 nan 8.380 nan 0.000 0.424 230 T N 0.912 115.462 114.554 -0.007 0.000 2.684 230 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 230 T C 1.972 176.669 174.700 -0.005 0.000 1.036 230 T CA 0.990 63.086 62.100 -0.007 0.000 1.148 230 T CB -0.326 68.540 68.868 -0.002 0.000 0.863 230 T HN 0.202 nan 8.240 nan 0.000 0.436 231 I N 0.675 121.246 120.570 0.002 0.000 2.264 231 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 231 I C 2.603 178.715 176.117 -0.009 0.000 1.111 231 I CA 1.168 62.469 61.300 0.001 0.000 1.382 231 I CB -0.317 37.687 38.000 0.007 0.000 1.060 231 I HN 0.086 nan 8.210 nan 0.000 0.418 232 K N 0.217 120.611 120.400 -0.009 0.000 2.211 232 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 232 K C 1.845 178.437 176.600 -0.014 0.000 1.047 232 K CA 1.019 57.299 56.287 -0.012 0.000 0.935 232 K CB -0.160 32.334 32.500 -0.009 0.000 0.728 232 K HN 0.196 nan 8.250 nan 0.000 0.452 233 S N 0.510 116.202 115.700 -0.014 0.000 2.634 233 S HA 0.173 4.643 4.470 -0.000 0.000 0.221 233 S C 0.203 174.791 174.600 -0.020 0.000 0.952 233 S CA -0.322 57.868 58.200 -0.017 0.000 0.930 233 S CB 0.185 63.373 63.200 -0.019 0.000 0.780 233 S HN 0.289 nan 8.310 nan 0.000 0.498 234 A N 2.361 125.170 122.820 -0.018 0.000 2.540 234 A HA 0.421 4.741 4.320 -0.000 0.000 0.239 234 A C 0.840 178.416 177.584 -0.012 0.000 1.061 234 A CA -0.220 51.807 52.037 -0.017 0.000 0.758 234 A CB 0.120 19.113 19.000 -0.012 0.000 0.991 234 A HN 0.467 nan 8.150 nan 0.000 0.502 238 V N 4.817 124.820 119.914 0.150 0.000 2.409 238 V HA 0.757 4.877 4.120 -0.000 0.000 0.291 238 V C -0.692 175.508 176.094 0.177 0.000 1.020 238 V CA -0.212 62.162 62.300 0.124 0.000 0.848 238 V CB 1.455 33.347 31.823 0.115 0.000 0.990 238 V HN 1.062 nan 8.190 nan 0.000 0.430 239 H N 2.030 121.151 119.070 0.085 0.000 2.980 239 H HA 0.871 5.427 4.556 -0.000 0.000 0.367 239 H C -0.102 175.256 175.328 0.050 0.000 1.206 239 H CA -0.285 55.823 56.048 0.099 0.000 1.126 239 H CB 1.770 31.649 29.762 0.195 0.000 1.838 239 H HN 0.705 nan 8.280 nan 0.000 0.552 240 G N 0.310 109.205 108.800 0.158 0.000 2.531 240 G HA2 0.594 4.554 3.960 -0.000 0.000 0.313 240 G HA3 0.594 4.554 3.960 -0.000 0.000 0.313 240 G C -0.921 174.008 174.900 0.050 0.000 1.238 240 G CA -1.049 44.075 45.100 0.039 0.000 0.994 240 G HN 0.670 nan 8.290 nan 0.000 0.493 241 I N -0.143 120.393 120.570 -0.058 0.000 2.571 241 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 241 I C 0.266 176.331 176.117 -0.087 0.000 1.115 241 I CA -0.680 60.531 61.300 -0.149 0.000 1.045 241 I CB 2.456 40.333 38.000 -0.206 0.000 1.238 241 I HN 0.683 nan 8.210 nan 0.000 0.424 242 G N 3.738 112.484 108.800 -0.091 0.000 2.537 242 G HA2 0.527 4.487 3.960 -0.000 0.000 0.308 242 G HA3 0.527 4.487 3.960 -0.000 0.000 0.308 242 G C -0.986 173.907 174.900 -0.010 0.000 1.237 242 G CA -0.501 44.575 45.100 -0.040 0.000 0.968 242 G HN 0.561 nan 8.290 nan 0.000 0.481 243 E N 0.185 120.397 120.200 0.020 0.000 2.384 243 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 243 E C 1.331 177.986 176.600 0.092 0.000 1.012 243 E CA 0.181 56.612 56.400 0.051 0.000 0.901 243 E CB 1.589 31.316 29.700 0.045 0.000 0.967 243 E HN 0.492 nan 8.360 nan 0.000 0.435 244 A N 5.014 127.921 122.820 0.144 0.000 1.883 244 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 244 A C 1.827 179.543 177.584 0.220 0.000 1.186 244 A CA 1.605 53.807 52.037 0.275 0.000 0.624 244 A CB -0.184 18.996 19.000 0.300 0.000 0.822 244 A HN 0.578 nan 8.150 nan 0.000 0.444 245 K N -0.648 119.821 120.400 0.115 0.000 2.057 245 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 245 K C 0.904 177.545 176.600 0.069 0.000 1.049 245 K CA 1.218 57.545 56.287 0.066 0.000 0.931 245 K CB -0.543 31.980 32.500 0.038 0.000 0.714 245 K HN 0.492 nan 8.250 nan 0.000 0.440 249 Q N 0.002 119.831 119.800 0.047 0.000 2.083 249 Q HA -0.015 4.325 4.340 -0.000 0.000 0.198 249 Q C 2.186 178.206 176.000 0.034 0.000 0.969 249 Q CA 1.530 57.349 55.803 0.028 0.000 0.838 249 Q CB -0.049 28.702 28.738 0.022 0.000 0.900 249 Q HN 0.626 nan 8.270 nan 0.000 0.436 250 R N 0.705 121.233 120.500 0.045 0.000 2.092 250 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 250 R C 0.476 176.804 176.300 0.047 0.000 1.119 250 R CA 0.506 56.631 56.100 0.042 0.000 0.970 250 R CB 0.267 30.593 30.300 0.042 0.000 0.864 250 R HN 0.034 nan 8.270 nan 0.000 0.440 251 R N 0.765 121.302 120.500 0.061 0.000 2.637 251 R HA 0.086 4.426 4.340 -0.000 0.000 0.269 251 R C -0.413 175.917 176.300 0.050 0.000 1.089 251 R CA -0.505 55.633 56.100 0.065 0.000 1.177 251 R CB 0.331 30.687 30.300 0.094 0.000 1.091 251 R HN 0.077 nan 8.270 nan 0.000 0.540 252 N N 0.934 119.662 118.700 0.047 0.000 2.508 252 N HA 0.069 4.809 4.740 -0.000 0.000 0.253 252 N C -1.203 174.325 175.510 0.030 0.000 1.145 252 N CA 0.340 53.410 53.050 0.034 0.000 0.973 252 N CB 0.922 39.431 38.487 0.036 0.000 1.305 252 N HN 0.374 nan 8.380 nan 0.000 0.506 253 T N 3.112 117.676 114.554 0.016 0.000 2.743 253 T HA 0.354 4.704 4.350 -0.000 0.000 0.292 253 T C -2.212 172.470 174.700 -0.029 0.000 0.972 253 T CA -1.285 60.813 62.100 -0.004 0.000 0.967 253 T CB 1.226 70.078 68.868 -0.027 0.000 0.926 253 T HN 0.187 nan 8.240 nan 0.000 0.459 254 P HA 0.069 nan 4.420 nan 0.000 0.266 254 P C 1.073 178.333 177.300 -0.067 0.000 1.195 254 P CA -0.560 62.514 63.100 -0.042 0.000 0.768 254 P CB 0.492 32.168 31.700 -0.041 0.000 0.838 255 L N 3.733 124.922 121.223 -0.057 0.000 2.034 255 L HA -0.287 4.053 4.340 -0.000 0.000 0.217 255 L C 1.808 178.626 176.870 -0.085 0.000 1.077 255 L CA 2.121 56.922 54.840 -0.064 0.000 0.769 255 L CB -1.153 40.877 42.059 -0.048 0.000 0.890 255 L HN 0.351 nan 8.230 nan 0.000 0.435 256 E N -0.239 119.911 120.200 -0.083 0.000 2.097 256 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 256 E C 1.911 178.420 176.600 -0.151 0.000 1.000 256 E CA 1.683 58.025 56.400 -0.097 0.000 0.804 256 E CB -0.321 29.332 29.700 -0.078 0.000 0.740 256 E HN 0.607 nan 8.360 nan 0.000 0.454 257 D N -0.451 119.836 120.400 -0.189 0.000 2.213 257 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 257 D C 1.992 178.053 176.300 -0.399 0.000 0.961 257 D CA 0.318 54.103 54.000 -0.359 0.000 0.853 257 D CB -0.082 40.513 40.800 -0.342 0.000 0.967 257 D HN 0.158 nan 8.370 nan 0.000 0.496 258 L N 0.884 121.954 121.223 -0.256 0.000 2.012 258 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 258 L C 2.506 179.257 176.870 -0.199 0.000 1.073 258 L CA 1.333 56.042 54.840 -0.218 0.000 0.748 258 L CB -0.370 41.608 42.059 -0.134 0.000 0.891 258 L HN 0.010 nan 8.230 nan 0.000 0.431 259 K N 0.781 121.083 120.400 -0.164 0.000 2.032 259 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 259 K C 2.223 178.730 176.600 -0.155 0.000 1.048 259 K CA 1.815 58.023 56.287 -0.132 0.000 0.927 259 K CB -0.085 32.353 32.500 -0.104 0.000 0.712 259 K HN 0.073 nan 8.250 nan 0.000 0.441 260 K N 0.550 120.822 120.400 -0.213 0.000 2.032 260 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 260 K C 2.035 178.499 176.600 -0.228 0.000 1.048 260 K CA 1.874 58.027 56.287 -0.222 0.000 0.927 260 K CB -0.160 32.155 32.500 -0.308 0.000 0.712 260 K HN 0.205 nan 8.250 nan 0.000 0.441 261 I N 1.018 121.387 120.570 -0.335 0.000 2.286 261 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 261 I C 2.046 178.070 176.117 -0.155 0.000 1.115 261 I CA 1.302 62.422 61.300 -0.299 0.000 1.392 261 I CB -0.254 37.454 38.000 -0.486 0.000 1.065 261 I HN 0.272 nan 8.210 nan 0.000 0.418 262 D N 0.765 121.081 120.400 -0.139 0.000 2.091 262 D HA -0.170 4.469 4.640 -0.000 0.000 0.199 262 D C 1.772 178.037 176.300 -0.059 0.000 0.980 262 D CA 1.223 55.175 54.000 -0.081 0.000 0.831 262 D CB -0.127 40.627 40.800 -0.076 0.000 0.987 262 D HN 0.147 nan 8.370 nan 0.000 0.460 263 D N -0.151 120.209 120.400 -0.068 0.000 2.182 263 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 263 D C 0.998 177.279 176.300 -0.032 0.000 0.986 263 D CA 0.921 54.893 54.000 -0.047 0.000 0.847 263 D CB -0.441 40.328 40.800 -0.053 0.000 0.942 263 D HN 0.304 nan 8.370 nan 0.000 0.467 264 N N 0.368 119.046 118.700 -0.036 0.000 2.270 264 N HA 0.006 4.746 4.740 -0.000 0.000 0.198 264 N C -0.763 174.752 175.510 0.009 0.000 1.117 264 N CA -0.029 53.015 53.050 -0.011 0.000 0.845 264 N CB 0.579 39.061 38.487 -0.008 0.000 0.980 264 N HN -0.118 nan 8.380 nan 0.000 0.486 265 D N -0.057 120.345 120.400 0.002 0.000 2.746 265 D HA -0.175 4.465 4.640 -0.000 0.000 0.236 265 D C -0.239 176.091 176.300 0.049 0.000 1.129 265 D CA 0.619 54.631 54.000 0.021 0.000 0.691 265 D CB -1.449 39.365 40.800 0.024 0.000 1.077 265 D HN 0.400 nan 8.370 nan 0.000 0.432 266 A N 0.136 122.988 122.820 0.052 0.000 2.477 266 A HA 0.451 4.771 4.320 -0.000 0.000 0.246 266 A C 1.544 179.201 177.584 0.122 0.000 1.078 266 A CA 0.338 52.445 52.037 0.116 0.000 0.770 266 A CB 0.820 19.908 19.000 0.146 0.000 1.011 266 A HN 0.701 nan 8.150 nan 0.000 0.494 267 V N -0.502 119.501 119.914 0.149 0.000 3.485 267 V HA 0.381 4.501 4.120 -0.000 0.000 0.280 267 V C 0.512 176.688 176.094 0.137 0.000 1.495 267 V CA 1.026 63.399 62.300 0.122 0.000 1.018 267 V CB -0.268 31.608 31.823 0.089 0.000 0.818 267 V HN 0.915 nan 8.190 nan 0.000 0.436 268 T N 0.471 115.139 114.554 0.191 0.000 2.896 268 T HA 0.583 4.933 4.350 -0.000 0.000 0.297 268 T C -1.835 172.990 174.700 0.208 0.000 1.108 268 T CA -0.263 61.933 62.100 0.161 0.000 1.004 268 T CB 2.264 71.205 68.868 0.121 0.000 1.159 268 T HN 0.520 nan 8.240 nan 0.000 0.499 269 E N 0.993 121.215 120.200 0.037 0.000 2.331 269 E HA 0.682 5.032 4.350 -0.000 0.000 0.275 269 E C -1.952 174.510 176.600 -0.231 0.000 0.895 269 E CA -0.771 55.527 56.400 -0.170 0.000 0.753 269 E CB 2.018 31.431 29.700 -0.479 0.000 1.216 269 E HN 0.895 nan 8.360 nan 0.000 0.434 270 A N 2.897 125.522 122.820 -0.326 0.000 2.517 270 A HA 0.517 4.837 4.320 -0.000 0.000 0.297 270 A C -0.601 176.400 177.584 -0.972 0.000 1.050 270 A CA -0.357 51.276 52.037 -0.674 0.000 0.694 270 A CB -0.063 18.250 19.000 -1.144 0.000 1.277 270 A HN 1.020 nan 8.150 nan 0.000 0.400 271 F N 0.348 120.279 119.950 -0.031 0.000 2.978 271 F HA -0.129 4.398 4.527 -0.000 0.000 0.248 271 F C 1.201 177.044 175.800 0.071 0.000 0.994 271 F CA 0.743 58.759 58.000 0.025 0.000 0.849 271 F CB -1.676 37.331 39.000 0.012 0.000 0.737 271 F HN 2.355 nan 8.300 nan 0.000 0.800 272 G N -1.700 107.047 108.800 -0.088 0.000 2.141 272 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.242 272 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.242 272 G C -0.256 174.421 174.900 -0.372 0.000 0.982 272 G CA 0.031 45.023 45.100 -0.181 0.000 0.662 272 G HN 0.865 nan 8.290 nan 0.000 0.527 273 Y N -0.556 119.475 120.300 -0.448 0.000 2.377 273 Y HA 0.659 5.209 4.550 -0.000 0.000 0.339 273 Y C 0.197 175.625 175.900 -0.786 0.000 1.011 273 Y CA -1.091 56.661 58.100 -0.580 0.000 1.093 273 Y CB 1.325 39.352 38.460 -0.721 0.000 1.201 273 Y HN 0.148 nan 8.280 nan 0.000 0.455 274 Y N 3.132 123.197 120.300 -0.392 0.000 2.330 274 Y HA 0.511 5.061 4.550 -0.000 0.000 0.336 274 Y C -0.850 174.831 175.900 -0.365 0.000 1.036 274 Y CA -0.865 57.104 58.100 -0.220 0.000 1.125 274 Y CB 0.915 39.360 38.460 -0.025 0.000 1.194 274 Y HN 0.400 nan 8.280 nan 0.000 0.469 275 F N 2.008 122.060 119.950 0.169 0.000 2.561 275 F HA 0.407 4.934 4.527 -0.000 0.000 0.321 275 F C 0.126 175.984 175.800 0.096 0.000 1.065 275 F CA -1.284 56.782 58.000 0.111 0.000 0.934 275 F CB 1.207 40.245 39.000 0.063 0.000 1.215 275 F HN 0.523 nan 8.300 nan 0.000 0.471 276 N N 0.975 119.829 118.700 0.256 0.000 2.418 276 N HA 0.343 5.083 4.740 -0.000 0.000 0.283 276 N C 0.711 176.302 175.510 0.135 0.000 1.267 276 N CA -0.160 52.985 53.050 0.158 0.000 0.975 276 N CB 0.074 38.626 38.487 0.107 0.000 1.167 276 N HN 0.658 nan 8.380 nan 0.000 0.581 277 A N -1.136 121.737 122.820 0.089 0.000 2.125 277 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 277 A C 0.889 178.502 177.584 0.049 0.000 1.156 277 A CA 1.361 53.437 52.037 0.065 0.000 0.671 277 A CB -0.578 18.451 19.000 0.049 0.000 0.794 277 A HN 0.680 nan 8.150 nan 0.000 0.459 278 D N -1.330 119.102 120.400 0.054 0.000 2.340 278 D HA 0.266 4.906 4.640 -0.000 0.000 0.217 278 D C 1.313 177.626 176.300 0.022 0.000 1.081 278 D CA 0.938 54.959 54.000 0.035 0.000 0.842 278 D CB 0.121 40.943 40.800 0.037 0.000 0.934 278 D HN 0.532 nan 8.370 nan 0.000 0.511 279 G N 1.595 110.415 108.800 0.034 0.000 2.143 279 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 279 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 279 G C 0.025 175.012 174.900 0.145 0.000 0.991 279 G CA -0.054 45.029 45.100 -0.028 0.000 0.689 279 G HN 0.360 nan 8.290 nan 0.000 0.522 280 E N -0.224 120.095 120.200 0.199 0.000 2.249 280 E HA 0.463 4.813 4.350 -0.000 0.000 0.280 280 E C 0.540 177.291 176.600 0.251 0.000 1.016 280 E CA -0.850 55.671 56.400 0.202 0.000 0.830 280 E CB 2.015 31.781 29.700 0.111 0.000 1.081 280 E HN 0.092 nan 8.360 nan 0.000 0.395 281 V N 3.790 123.807 119.914 0.172 0.000 2.529 281 V HA -0.059 4.061 4.120 -0.000 0.000 0.292 281 V C 1.130 177.235 176.094 0.018 0.000 1.028 281 V CA 0.360 62.640 62.300 -0.034 0.000 1.074 281 V CB 0.721 32.540 31.823 -0.008 0.000 0.958 281 V HN 0.695 nan 8.190 nan 0.000 0.481 282 V N 1.404 121.324 119.914 0.011 0.000 3.635 282 V HA 0.415 4.535 4.120 -0.000 0.000 0.266 282 V C 0.311 176.464 176.094 0.098 0.000 1.316 282 V CA 0.431 62.764 62.300 0.056 0.000 1.060 282 V CB -0.183 31.678 31.823 0.064 0.000 0.820 282 V HN 0.899 nan 8.190 nan 0.000 0.447 283 H N 0.873 119.921 119.070 -0.036 0.000 3.099 283 H HA 0.589 5.145 4.556 -0.000 0.000 0.342 283 H C -1.126 174.178 175.328 -0.040 0.000 1.054 283 H CA -0.649 55.371 56.048 -0.046 0.000 1.328 283 H CB 1.788 31.483 29.762 -0.112 0.000 1.876 283 H HN 0.297 nan 8.280 nan 0.000 0.495 284 K N 5.038 125.040 120.400 -0.664 0.000 2.274 284 K HA 0.488 4.808 4.320 -0.000 0.000 0.262 284 K C -1.031 175.093 176.600 -0.794 0.000 0.961 284 K CA -0.875 54.978 56.287 -0.723 0.000 0.833 284 K CB 1.257 33.428 32.500 -0.548 0.000 1.102 284 K HN 0.383 nan 8.250 nan 0.000 0.436 285 V N 5.046 124.620 119.914 -0.567 0.000 2.470 285 V HA -0.017 4.103 4.120 -0.000 0.000 0.276 285 V C 0.611 176.563 176.094 -0.237 0.000 1.040 285 V CA -0.440 61.686 62.300 -0.289 0.000 1.008 285 V CB 0.444 32.203 31.823 -0.106 0.000 0.990 285 V HN 0.764 nan 8.190 nan 0.000 0.477 286 H N 4.867 123.794 119.070 -0.239 0.000 3.082 286 H HA 0.326 4.882 4.556 -0.000 0.000 0.275 286 H C 0.023 175.254 175.328 -0.162 0.000 1.032 286 H CA 0.919 56.842 56.048 -0.209 0.000 1.477 286 H CB 0.638 30.262 29.762 -0.230 0.000 1.520 286 H HN 0.782 nan 8.280 nan 0.000 0.521 287 S N 4.347 119.808 115.700 -0.398 0.000 2.567 287 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 287 S C -1.320 173.205 174.600 -0.124 0.000 1.152 287 S CA -0.722 57.350 58.200 -0.213 0.000 0.835 287 S CB 1.384 64.530 63.200 -0.091 0.000 1.115 287 S HN 0.426 nan 8.310 nan 0.000 0.459 288 V N 2.765 122.677 119.914 -0.003 0.000 3.051 288 V HA 0.728 4.848 4.120 -0.000 0.000 0.306 288 V C 1.148 177.240 176.094 -0.004 0.000 1.083 288 V CA 1.860 64.161 62.300 0.002 0.000 1.104 288 V CB 0.734 32.541 31.823 -0.027 0.000 1.027 288 V HN 2.232 nan 8.190 nan 0.000 0.483 292 L N 1.565 122.790 121.223 0.003 0.000 2.079 292 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 292 L C 1.592 178.409 176.870 -0.088 0.000 1.081 292 L CA 2.954 57.664 54.840 -0.216 0.000 0.752 292 L CB -0.388 41.324 42.059 -0.578 0.000 0.896 292 L HN 0.855 nan 8.230 nan 0.000 0.433 293 D N -1.006 119.377 120.400 -0.029 0.000 2.263 293 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 293 D C 1.563 177.849 176.300 -0.024 0.000 0.971 293 D CA 1.076 55.069 54.000 -0.013 0.000 0.867 293 D CB -0.070 40.737 40.800 0.012 0.000 0.929 293 D HN 0.446 nan 8.370 nan 0.000 0.492 294 D N -0.209 120.170 120.400 -0.036 0.000 2.269 294 D HA -0.073 4.567 4.640 -0.000 0.000 0.208 294 D C 2.189 178.449 176.300 -0.067 0.000 0.963 294 D CA 0.460 54.433 54.000 -0.044 0.000 0.864 294 D CB -0.238 40.535 40.800 -0.045 0.000 0.936 294 D HN 0.586 nan 8.370 nan 0.000 0.505 295 I N -1.160 119.350 120.570 -0.100 0.000 2.614 295 I HA -0.155 4.015 4.170 -0.000 0.000 0.258 295 I C 1.230 177.324 176.117 -0.037 0.000 1.189 295 I CA 1.173 62.413 61.300 -0.100 0.000 1.462 295 I CB -0.128 37.782 38.000 -0.149 0.000 1.092 295 I HN -0.331 nan 8.210 nan 0.000 0.442 296 D N 2.258 122.643 120.400 -0.025 0.000 2.221 296 D HA -0.101 4.539 4.640 -0.000 0.000 0.204 296 D C 2.104 178.401 176.300 -0.006 0.000 0.982 296 D CA 1.668 55.663 54.000 -0.008 0.000 0.857 296 D CB 0.044 40.839 40.800 -0.007 0.000 0.934 296 D HN 0.601 nan 8.370 nan 0.000 0.475 297 A N -0.237 122.576 122.820 -0.012 0.000 2.308 297 A HA 0.197 4.517 4.320 -0.000 0.000 0.217 297 A C 0.838 178.418 177.584 -0.006 0.000 1.216 297 A CA -0.231 51.802 52.037 -0.008 0.000 0.864 297 A CB -0.023 18.971 19.000 -0.009 0.000 0.902 297 A HN 0.105 nan 8.150 nan 0.000 0.499 298 I N 1.482 122.047 120.570 -0.007 0.000 2.297 298 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 298 I C -1.342 174.783 176.117 0.014 0.000 1.033 298 I CA -1.844 59.456 61.300 -0.000 0.000 1.253 298 I CB 1.746 39.742 38.000 -0.007 0.000 1.396 298 I HN 0.081 nan 8.210 nan 0.000 0.476 299 P HA -0.033 nan 4.420 nan 0.000 0.222 299 P C -0.165 177.150 177.300 0.026 0.000 1.153 299 P CA 1.093 64.204 63.100 0.019 0.000 0.798 299 P CB 0.368 32.077 31.700 0.015 0.000 0.796 300 D N 0.667 121.087 120.400 0.032 0.000 2.453 300 D HA 0.376 5.016 4.640 -0.000 0.000 0.238 300 D C -0.104 176.227 176.300 0.052 0.000 1.088 300 D CA -0.243 53.778 54.000 0.035 0.000 0.854 300 D CB 1.637 42.454 40.800 0.029 0.000 1.076 300 D HN 0.112 nan 8.370 nan 0.000 0.533 301 I N 2.808 123.419 120.570 0.069 0.000 2.406 301 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 301 I C -0.104 176.070 176.117 0.094 0.000 0.999 301 I CA -0.703 60.665 61.300 0.114 0.000 1.124 301 I CB 1.823 39.929 38.000 0.177 0.000 1.289 301 I HN 0.097 nan 8.210 nan 0.000 0.441 302 I N 5.738 126.344 120.570 0.061 0.000 2.410 302 I HA 0.550 4.720 4.170 -0.000 0.000 0.286 302 I C 0.069 176.109 176.117 -0.130 0.000 1.009 302 I CA -0.438 60.857 61.300 -0.009 0.000 1.111 302 I CB 1.791 39.779 38.000 -0.020 0.000 1.262 302 I HN 0.602 nan 8.210 nan 0.000 0.443 303 A N 6.594 129.310 122.820 -0.172 0.000 2.290 303 A HA 0.813 5.133 4.320 -0.000 0.000 0.310 303 A C -0.564 176.920 177.584 -0.166 0.000 1.202 303 A CA -0.452 51.339 52.037 -0.410 0.000 0.837 303 A CB 0.934 19.850 19.000 -0.141 0.000 1.139 303 A HN 0.466 nan 8.150 nan 0.000 0.509 304 V N 1.303 121.118 119.914 -0.164 0.000 2.409 304 V HA 0.782 4.902 4.120 -0.000 0.000 0.290 304 V C 0.055 176.119 176.094 -0.050 0.000 1.017 304 V CA 0.102 62.359 62.300 -0.071 0.000 0.841 304 V CB 0.782 32.574 31.823 -0.051 0.000 1.003 304 V HN 1.524 nan 8.190 nan 0.000 0.426 305 A N 3.367 126.174 122.820 -0.022 0.000 2.565 305 A HA 0.978 5.298 4.320 -0.000 0.000 0.298 305 A C -0.311 177.273 177.584 -0.001 0.000 1.062 305 A CA 0.141 52.172 52.037 -0.011 0.000 0.723 305 A CB 1.793 20.788 19.000 -0.008 0.000 1.282 305 A HN 1.461 nan 8.150 nan 0.000 0.400 306 G N -0.526 108.268 108.800 -0.010 0.000 2.682 306 G HA2 0.952 4.911 3.960 -0.000 0.000 0.303 306 G HA3 0.952 4.911 3.960 -0.000 0.000 0.303 306 G C 0.192 175.078 174.900 -0.023 0.000 1.341 306 G CA 0.144 45.235 45.100 -0.015 0.000 0.784 306 G HN 2.701 nan 8.290 nan 0.000 0.497 307 G N -1.416 107.363 108.800 -0.034 0.000 2.785 307 G HA2 0.206 4.166 3.960 -0.000 0.000 0.686 307 G HA3 0.206 4.166 3.960 -0.000 0.000 0.686 307 G C 0.848 175.734 174.900 -0.023 0.000 1.155 307 G CA 0.474 45.551 45.100 -0.039 0.000 0.760 307 G HN 1.469 nan 8.290 nan 0.000 0.624 308 S N 0.579 116.263 115.700 -0.026 0.000 2.400 308 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 308 S C 2.817 177.415 174.600 -0.005 0.000 1.025 308 S CA 2.303 60.495 58.200 -0.015 0.000 0.993 308 S CB -0.297 62.892 63.200 -0.018 0.000 0.808 308 S HN 1.958 nan 8.310 nan 0.000 0.478 309 S N 1.466 117.162 115.700 -0.007 0.000 2.442 309 S HA 0.005 4.475 4.470 -0.000 0.000 0.236 309 S C 1.381 175.987 174.600 0.009 0.000 1.007 309 S CA 0.736 58.937 58.200 0.001 0.000 0.965 309 S CB -0.276 62.924 63.200 -0.001 0.000 0.773 309 S HN 0.446 nan 8.310 nan 0.000 0.504 310 K N 0.766 121.171 120.400 0.008 0.000 2.404 310 K HA 0.383 4.703 4.320 -0.000 0.000 0.194 310 K C 2.139 178.757 176.600 0.030 0.000 1.023 310 K CA 0.428 56.725 56.287 0.017 0.000 1.094 310 K CB -0.101 32.407 32.500 0.012 0.000 0.841 310 K HN 0.458 nan 8.250 nan 0.000 0.523 311 A N 1.933 124.770 122.820 0.027 0.000 1.883 311 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 311 A C 1.804 179.418 177.584 0.049 0.000 1.186 311 A CA 1.676 53.735 52.037 0.037 0.000 0.624 311 A CB -0.276 18.739 19.000 0.025 0.000 0.822 311 A HN 0.247 nan 8.150 nan 0.000 0.444 312 E N 0.280 120.505 120.200 0.041 0.000 2.077 312 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 312 E C 2.155 178.789 176.600 0.056 0.000 0.989 312 E CA 1.269 57.697 56.400 0.046 0.000 0.800 312 E CB -0.481 29.242 29.700 0.039 0.000 0.746 312 E HN 0.585 nan 8.360 nan 0.000 0.452 313 A N 0.788 123.639 122.820 0.053 0.000 1.898 313 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 313 A C 2.253 179.871 177.584 0.058 0.000 1.181 313 A CA 1.097 53.165 52.037 0.052 0.000 0.620 313 A CB -0.611 18.410 19.000 0.035 0.000 0.819 313 A HN 0.181 nan 8.150 nan 0.000 0.442 314 I N -0.686 119.934 120.570 0.084 0.000 2.179 314 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 314 I C 2.555 178.817 176.117 0.242 0.000 1.088 314 I CA 1.794 63.198 61.300 0.173 0.000 1.357 314 I CB -0.328 37.788 38.000 0.194 0.000 1.051 314 I HN 0.537 nan 8.210 nan 0.000 0.409 315 E N 1.265 121.562 120.200 0.162 0.000 2.058 315 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 315 E C 2.231 178.894 176.600 0.105 0.000 0.997 315 E CA 1.637 58.122 56.400 0.142 0.000 0.801 315 E CB -0.067 29.683 29.700 0.083 0.000 0.746 315 E HN 0.485 nan 8.360 nan 0.000 0.450 316 A N 0.109 122.967 122.820 0.064 0.000 1.898 316 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 316 A C 2.085 179.622 177.584 -0.078 0.000 1.181 316 A CA 1.473 53.522 52.037 0.020 0.000 0.620 316 A CB -1.024 18.006 19.000 0.050 0.000 0.819 316 A HN 0.592 nan 8.150 nan 0.000 0.442 317 Y N -0.285 119.851 120.300 -0.275 0.000 2.151 317 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 317 Y C 1.286 176.833 175.900 -0.589 0.000 1.166 317 Y CA 1.748 59.480 58.100 -0.613 0.000 1.163 317 Y CB -0.419 37.567 38.460 -0.789 0.000 0.974 317 Y HN 0.266 nan 8.280 nan 0.000 0.511 318 F N 0.331 120.167 119.950 -0.189 0.000 2.693 318 F HA 0.131 4.658 4.527 -0.000 0.000 0.303 318 F C 1.660 177.358 175.800 -0.170 0.000 1.143 318 F CA -0.021 57.852 58.000 -0.210 0.000 1.389 318 F CB -0.233 38.738 39.000 -0.048 0.000 1.060 318 F HN -0.119 nan 8.300 nan 0.000 0.535 319 K N 0.311 120.669 120.400 -0.070 0.000 2.442 319 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 319 K C 0.656 177.215 176.600 -0.068 0.000 1.042 319 K CA 0.714 56.973 56.287 -0.045 0.000 0.958 319 K CB 0.043 32.519 32.500 -0.040 0.000 0.766 319 K HN 0.140 nan 8.250 nan 0.000 0.474 320 K N 0.548 120.863 120.400 -0.141 0.000 2.340 320 K HA 0.362 4.682 4.320 -0.000 0.000 0.244 320 K C -2.650 173.889 176.600 -0.102 0.000 0.973 320 K CA -2.310 53.903 56.287 -0.123 0.000 0.828 320 K CB 1.472 33.865 32.500 -0.177 0.000 1.226 320 K HN -0.188 nan 8.250 nan 0.000 0.437 321 P HA 0.248 nan 4.420 nan 0.000 0.276 321 P C -0.066 177.218 177.300 -0.027 0.000 1.243 321 P CA -0.196 62.893 63.100 -0.019 0.000 0.768 321 P CB 0.722 32.416 31.700 -0.011 0.000 0.856 322 R N 1.912 122.436 120.500 0.039 0.000 2.509 322 R HA 0.131 4.471 4.340 -0.000 0.000 0.297 322 R C 0.175 176.551 176.300 0.128 0.000 0.951 322 R CA -0.296 55.851 56.100 0.078 0.000 1.103 322 R CB -0.451 29.941 30.300 0.154 0.000 1.283 322 R HN 0.490 nan 8.270 nan 0.000 0.534 323 N N 1.692 120.446 118.700 0.090 0.000 2.727 323 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 323 N C -0.814 174.756 175.510 0.100 0.000 1.048 323 N CA 1.307 54.398 53.050 0.069 0.000 0.714 323 N CB -1.101 37.415 38.487 0.048 0.000 0.959 323 N HN 0.136 nan 8.380 nan 0.000 0.544 324 T N -0.091 114.545 114.554 0.136 0.000 2.887 324 T HA 0.488 4.838 4.350 -0.000 0.000 0.288 324 T C 0.292 175.027 174.700 0.058 0.000 1.021 324 T CA -0.488 61.719 62.100 0.179 0.000 1.000 324 T CB 2.873 72.008 68.868 0.444 0.000 1.034 324 T HN -0.089 nan 8.240 nan 0.000 0.467 325 V N 3.414 123.351 119.914 0.039 0.000 2.407 325 V HA 0.438 4.558 4.120 -0.000 0.000 0.278 325 V C -0.330 175.748 176.094 -0.026 0.000 1.037 325 V CA -0.681 61.604 62.300 -0.026 0.000 0.900 325 V CB 1.242 33.049 31.823 -0.026 0.000 0.983 325 V HN 0.633 nan 8.190 nan 0.000 0.459 326 L N 7.052 128.219 121.223 -0.093 0.000 2.282 326 L HA 0.607 4.947 4.340 -0.000 0.000 0.288 326 L C -0.373 176.462 176.870 -0.057 0.000 1.033 326 L CA 0.173 54.973 54.840 -0.067 0.000 0.807 326 L CB 1.659 43.613 42.059 -0.175 0.000 1.209 326 L HN 0.417 nan 8.230 nan 0.000 0.423 327 V N 5.344 125.236 119.914 -0.036 0.000 2.350 327 V HA 0.640 4.760 4.120 -0.000 0.000 0.276 327 V C 0.297 176.376 176.094 -0.024 0.000 1.028 327 V CA -0.139 62.141 62.300 -0.034 0.000 0.860 327 V CB 0.943 32.745 31.823 -0.035 0.000 0.990 327 V HN 0.966 nan 8.190 nan 0.000 0.453 328 T N 2.861 117.401 114.554 -0.024 0.000 2.618 328 T HA 0.575 4.925 4.350 -0.000 0.000 0.286 328 T C -1.836 172.850 174.700 -0.023 0.000 1.027 328 T CA -0.458 61.632 62.100 -0.017 0.000 1.063 328 T CB 1.933 70.798 68.868 -0.005 0.000 1.440 328 T HN 0.842 nan 8.240 nan 0.000 0.505 329 D N -0.545 119.840 120.400 -0.026 0.000 2.493 329 D HA 0.412 5.052 4.640 -0.000 0.000 0.239 329 D C 0.804 177.086 176.300 -0.030 0.000 1.049 329 D CA -0.637 53.343 54.000 -0.034 0.000 1.008 329 D CB 0.596 41.363 40.800 -0.055 0.000 1.398 329 D HN 0.610 nan 8.370 nan 0.000 0.513 330 E N 0.140 120.321 120.200 -0.031 0.000 2.070 330 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 330 E C 1.946 178.529 176.600 -0.028 0.000 1.004 330 E CA 1.651 58.035 56.400 -0.026 0.000 0.805 330 E CB -0.466 29.221 29.700 -0.022 0.000 0.744 330 E HN 0.672 nan 8.360 nan 0.000 0.451 331 G N 1.127 109.902 108.800 -0.042 0.000 2.599 331 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 331 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 331 G C 1.642 176.528 174.900 -0.023 0.000 1.193 331 G CA 1.528 46.605 45.100 -0.039 0.000 0.778 331 G HN 0.414 nan 8.290 nan 0.000 0.589 332 A N 0.832 123.640 122.820 -0.020 0.000 1.855 332 A HA 0.358 4.678 4.320 -0.000 0.000 0.215 332 A C 2.860 180.444 177.584 0.001 0.000 1.191 332 A CA 2.418 54.453 52.037 -0.004 0.000 0.613 332 A CB -0.903 18.100 19.000 0.004 0.000 0.829 332 A HN 0.936 nan 8.150 nan 0.000 0.442 333 A N -0.182 122.634 122.820 -0.006 0.000 1.877 333 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 333 A C 2.121 179.701 177.584 -0.006 0.000 1.186 333 A CA 1.947 53.980 52.037 -0.006 0.000 0.620 333 A CB -0.485 18.506 19.000 -0.015 0.000 0.822 333 A HN 0.510 nan 8.150 nan 0.000 0.443 334 K N -0.389 120.006 120.400 -0.008 0.000 2.057 334 K HA -0.153 4.166 4.320 -0.000 0.000 0.207 334 K C 2.227 178.825 176.600 -0.003 0.000 1.049 334 K CA 1.716 57.999 56.287 -0.006 0.000 0.931 334 K CB -0.134 32.361 32.500 -0.008 0.000 0.714 334 K HN 0.485 nan 8.250 nan 0.000 0.440 335 K N 1.118 121.517 120.400 -0.002 0.000 2.097 335 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 335 K C 2.123 178.727 176.600 0.008 0.000 1.049 335 K CA 0.915 57.203 56.287 0.002 0.000 0.933 335 K CB -0.066 32.435 32.500 0.002 0.000 0.717 335 K HN 0.093 nan 8.250 nan 0.000 0.442 336 L N 1.010 122.240 121.223 0.011 0.000 2.046 336 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 336 L C 1.790 178.667 176.870 0.012 0.000 1.077 336 L CA 1.269 56.120 54.840 0.018 0.000 0.747 336 L CB -0.028 42.046 42.059 0.025 0.000 0.896 336 L HN 0.198 nan 8.230 nan 0.000 0.432 337 L N -0.736 120.490 121.223 0.005 0.000 2.599 337 L HA 0.038 4.378 4.340 -0.000 0.000 0.230 337 L C 1.466 178.337 176.870 0.002 0.000 1.141 337 L CA -0.193 54.648 54.840 0.002 0.000 0.877 337 L CB -0.409 41.648 42.059 -0.004 0.000 1.009 337 L HN 0.181 nan 8.230 nan 0.000 0.447 338 R N 0.000 120.502 120.500 0.004 0.000 2.786 338 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 338 R CA 0.000 56.102 56.100 0.003 0.000 0.921 338 R CB 0.000 30.302 30.300 0.004 0.000 0.687 338 R HN 0.000 nan 8.270 nan 0.000 0.535