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 2c08_1_A DATA FIRST_RESID 25 DATA SEQUENCE EGTKLDDDFK EXERKVDVTS RAVXEIXTKT IEYLQPNPAS RAKXXXXXXX DATA SEQUENCE XXXXXXXXXX XXPQAEALLA EAXLKFGREL GDDCNFGPAL GEVGEAXREL DATA SEQUENCE SEVKDSLDXE VKQNFIDPLQ NLHDKDLREI QHHLKKLEGR RLDFDYKKKR DATA SEQUENCE QGKIPDEELR QALEKFDESK EIAESSXFNL LEXDIEQVSQ LSALVQAQLE DATA SEQUENCE YHKQAVQILQ QVTVRLEERI RQA 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 25 E HA 0.000 nan 4.350 nan 0.000 0.291 25 E C 0.000 176.602 176.600 0.003 0.000 1.382 25 E CA 0.000 56.401 56.400 0.002 0.000 0.976 25 E CB 0.000 29.704 29.700 0.007 0.000 0.812 26 G N -0.459 108.341 108.800 -0.001 0.000 2.500 26 G HA2 0.270 4.230 3.960 -0.000 0.000 0.299 26 G HA3 0.270 4.230 3.960 -0.000 0.000 0.299 26 G C -0.049 174.842 174.900 -0.015 0.000 1.242 26 G CA 0.398 45.495 45.100 -0.005 0.000 0.859 26 G HN -0.163 nan 8.290 nan 0.000 0.481 27 T N -0.589 113.944 114.554 -0.035 0.000 3.037 27 T HA 0.304 4.654 4.350 -0.000 0.000 0.252 27 T C 0.355 175.035 174.700 -0.033 0.000 1.073 27 T CA 0.979 63.044 62.100 -0.058 0.000 1.091 27 T CB -0.502 68.245 68.868 -0.201 0.000 0.935 27 T HN 0.659 nan 8.240 nan 0.000 0.488 28 K N 0.832 121.226 120.400 -0.010 0.000 7.076 28 K HA -0.107 4.213 4.320 -0.000 0.000 0.747 28 K C -1.479 175.132 176.600 0.019 0.000 2.505 28 K CA 0.147 56.442 56.287 0.013 0.000 1.814 28 K CB -0.843 31.667 32.500 0.016 0.000 2.142 28 K HN 0.212 nan 8.250 nan 0.000 0.274 29 L N 3.715 124.949 121.223 0.017 0.000 2.344 29 L HA 0.444 4.784 4.340 -0.000 0.000 0.272 29 L C 0.712 177.608 176.870 0.044 0.000 1.035 29 L CA -0.612 54.214 54.840 -0.023 0.000 0.807 29 L CB 0.855 42.795 42.059 -0.199 0.000 1.237 29 L HN 0.683 nan 8.230 nan 0.000 0.442 30 D N -0.262 120.169 120.400 0.053 0.000 2.378 30 D HA -0.064 4.575 4.640 -0.000 0.000 0.238 30 D C -0.121 176.260 176.300 0.136 0.000 1.180 30 D CA -0.328 53.725 54.000 0.088 0.000 0.895 30 D CB 0.986 41.832 40.800 0.078 0.000 1.192 30 D HN 0.473 nan 8.370 nan 0.000 0.438 31 D N 0.631 121.090 120.400 0.099 0.000 2.144 31 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 31 D C 1.291 177.651 176.300 0.100 0.000 0.984 31 D CA 1.076 55.131 54.000 0.091 0.000 0.834 31 D CB -0.207 40.630 40.800 0.062 0.000 0.955 31 D HN 0.435 nan 8.370 nan 0.000 0.465 32 D N -0.168 120.294 120.400 0.103 0.000 2.092 32 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 32 D C 1.740 178.108 176.300 0.112 0.000 0.994 32 D CA 0.562 54.619 54.000 0.095 0.000 0.828 32 D CB -0.473 40.382 40.800 0.091 0.000 0.963 32 D HN 0.162 nan 8.370 nan 0.000 0.450 33 F N 1.594 121.559 119.950 0.026 0.000 2.069 33 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 33 F C 2.057 177.876 175.800 0.030 0.000 1.113 33 F CA 1.518 59.533 58.000 0.025 0.000 1.214 33 F CB 0.083 39.093 39.000 0.017 0.000 0.978 33 F HN -0.180 nan 8.300 nan 0.000 0.474 34 K N -0.085 120.480 120.400 0.276 0.000 2.032 34 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 34 K C 1.143 177.773 176.600 0.051 0.000 1.048 34 K CA 1.196 57.586 56.287 0.170 0.000 0.927 34 K CB -0.525 32.067 32.500 0.154 0.000 0.712 34 K HN 0.243 nan 8.250 nan 0.000 0.441 38 R N 1.679 122.163 120.500 -0.028 0.000 2.094 38 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 38 R C 1.983 178.273 176.300 -0.017 0.000 1.137 38 R CA 2.246 58.341 56.100 -0.008 0.000 0.943 38 R CB -0.056 30.246 30.300 0.004 0.000 0.850 38 R HN 0.017 nan 8.270 nan 0.000 0.433 39 K N -0.144 120.240 120.400 -0.028 0.000 2.074 39 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 39 K C 2.052 178.633 176.600 -0.032 0.000 1.048 39 K CA 1.921 58.191 56.287 -0.029 0.000 0.926 39 K CB -0.250 32.227 32.500 -0.037 0.000 0.713 39 K HN 0.271 nan 8.250 nan 0.000 0.444 40 V N -0.720 119.167 119.914 -0.044 0.000 2.427 40 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 40 V C 1.804 177.887 176.094 -0.018 0.000 1.051 40 V CA 2.278 64.555 62.300 -0.037 0.000 1.048 40 V CB -0.474 31.320 31.823 -0.050 0.000 0.666 40 V HN 0.210 nan 8.190 nan 0.000 0.456 41 D N 0.684 121.077 120.400 -0.013 0.000 2.092 41 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 41 D C 2.029 178.334 176.300 0.008 0.000 0.994 41 D CA 2.137 56.139 54.000 0.004 0.000 0.828 41 D CB -0.266 40.538 40.800 0.008 0.000 0.963 41 D HN 0.322 nan 8.370 nan 0.000 0.450 42 V N 0.145 120.060 119.914 0.002 0.000 2.255 42 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 42 V C 2.573 178.669 176.094 0.004 0.000 1.051 42 V CA 2.239 64.541 62.300 0.003 0.000 1.018 42 V CB -1.056 30.767 31.823 -0.001 0.000 0.641 42 V HN 0.340 nan 8.190 nan 0.000 0.445 43 T N -0.573 113.980 114.554 -0.002 0.000 2.665 43 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 43 T C 2.133 176.840 174.700 0.013 0.000 1.035 43 T CA 2.088 64.188 62.100 -0.001 0.000 1.151 43 T CB -0.414 68.446 68.868 -0.013 0.000 0.862 43 T HN 0.533 nan 8.240 nan 0.000 0.438 44 S N 0.760 116.476 115.700 0.027 0.000 2.354 44 S HA -0.174 4.296 4.470 -0.000 0.000 0.219 44 S C 2.206 176.842 174.600 0.060 0.000 1.035 44 S CA 1.378 59.621 58.200 0.073 0.000 1.037 44 S CB -0.252 62.995 63.200 0.078 0.000 0.956 44 S HN 0.436 nan 8.310 nan 0.000 0.428 45 R N 0.725 121.246 120.500 0.036 0.000 2.091 45 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 45 R C 2.656 178.957 176.300 0.001 0.000 1.136 45 R CA 1.346 57.456 56.100 0.017 0.000 0.959 45 R CB -0.775 29.534 30.300 0.015 0.000 0.856 45 R HN 0.536 nan 8.270 nan 0.000 0.437 46 A N 1.228 124.050 122.820 0.004 0.000 1.849 46 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 46 A C 1.504 179.082 177.584 -0.010 0.000 1.202 46 A CA 1.199 53.236 52.037 0.001 0.000 0.629 46 A CB -0.834 18.169 19.000 0.005 0.000 0.834 46 A HN 0.093 nan 8.150 nan 0.000 0.447 53 K N 1.331 121.761 120.400 0.049 0.000 2.288 53 K HA 0.069 4.389 4.320 -0.000 0.000 0.201 53 K C 1.950 178.623 176.600 0.123 0.000 1.048 53 K CA 1.408 57.738 56.287 0.071 0.000 0.956 53 K CB -0.093 32.438 32.500 0.051 0.000 0.746 53 K HN 0.319 nan 8.250 nan 0.000 0.461 54 T N 1.793 116.433 114.554 0.144 0.000 2.737 54 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 54 T C 1.913 176.751 174.700 0.229 0.000 1.038 54 T CA 1.007 63.240 62.100 0.221 0.000 1.144 54 T CB -0.151 68.907 68.868 0.316 0.000 0.866 54 T HN 0.111 nan 8.240 nan 0.000 0.434 55 I N 1.163 121.817 120.570 0.140 0.000 2.163 55 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 55 I C 2.666 178.821 176.117 0.064 0.000 1.085 55 I CA 1.510 62.860 61.300 0.084 0.000 1.347 55 I CB -0.426 37.599 38.000 0.042 0.000 1.044 55 I HN 0.316 nan 8.210 nan 0.000 0.408 56 E N -0.171 120.073 120.200 0.073 0.000 2.118 56 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 56 E C 2.058 178.703 176.600 0.076 0.000 0.992 56 E CA 1.628 58.062 56.400 0.058 0.000 0.804 56 E CB -0.284 29.450 29.700 0.058 0.000 0.741 56 E HN 0.574 nan 8.360 nan 0.000 0.458 57 Y N 1.340 121.642 120.300 0.003 0.000 2.145 57 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 57 Y C 1.885 177.773 175.900 -0.021 0.000 1.145 57 Y CA 1.351 59.449 58.100 -0.004 0.000 1.148 57 Y CB -0.312 38.148 38.460 -0.001 0.000 0.981 57 Y HN -0.075 nan 8.280 nan 0.000 0.507 58 L N -0.214 120.867 121.223 -0.236 0.000 2.046 58 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 58 L C 0.583 177.305 176.870 -0.245 0.000 1.077 58 L CA 1.246 55.877 54.840 -0.349 0.000 0.747 58 L CB -0.341 41.642 42.059 -0.126 0.000 0.896 58 L HN 0.251 nan 8.230 nan 0.000 0.432 59 Q N -0.951 118.773 119.800 -0.127 0.000 2.674 59 Q HA 0.229 4.569 4.340 -0.000 0.000 0.249 59 Q C -1.926 174.040 176.000 -0.056 0.000 1.011 59 Q CA -1.559 54.191 55.803 -0.089 0.000 0.734 59 Q CB 1.330 30.033 28.738 -0.058 0.000 1.201 59 Q HN 0.053 nan 8.270 nan 0.000 0.498 60 P HA -0.122 nan 4.420 nan 0.000 0.225 60 P C 0.282 177.572 177.300 -0.017 0.000 1.148 60 P CA 0.827 63.910 63.100 -0.027 0.000 0.779 60 P CB 0.343 32.026 31.700 -0.029 0.000 0.780 61 N N 0.164 118.850 118.700 -0.024 0.000 2.415 61 N HA 0.097 4.837 4.740 -0.000 0.000 0.246 61 N C -1.719 173.784 175.510 -0.013 0.000 1.078 61 N CA -2.138 50.903 53.050 -0.016 0.000 0.942 61 N CB 0.433 38.909 38.487 -0.017 0.000 1.140 61 N HN -0.125 nan 8.380 nan 0.000 0.501 62 P HA -0.060 nan 4.420 nan 0.000 0.220 62 P C 0.482 177.778 177.300 -0.007 0.000 1.148 62 P CA 0.737 63.834 63.100 -0.005 0.000 0.803 62 P CB 0.165 31.863 31.700 -0.002 0.000 0.782 63 A N -0.493 122.323 122.820 -0.007 0.000 2.248 63 A HA 0.052 4.371 4.320 -0.000 0.000 0.210 63 A C 0.804 178.383 177.584 -0.008 0.000 1.174 63 A CA 1.100 53.133 52.037 -0.006 0.000 0.750 63 A CB -0.848 18.149 19.000 -0.005 0.000 0.780 63 A HN 0.286 nan 8.150 nan 0.000 0.478 64 S N -1.548 114.145 115.700 -0.011 0.000 2.777 64 S HA 0.408 4.878 4.470 -0.000 0.000 0.140 64 S C -0.270 174.321 174.600 -0.016 0.000 1.233 64 S CA -0.670 57.522 58.200 -0.013 0.000 1.157 64 S CB -0.008 63.183 63.200 -0.014 0.000 1.600 64 S HN 0.382 nan 8.310 nan 0.000 0.432 65 R N 1.297 121.789 120.500 -0.013 0.000 2.633 65 R HA 0.419 4.759 4.340 -0.000 0.000 0.348 65 R C 0.505 176.798 176.300 -0.012 0.000 1.100 65 R CA -0.104 55.988 56.100 -0.014 0.000 1.068 65 R CB 0.655 30.948 30.300 -0.011 0.000 1.351 65 R HN 0.674 nan 8.270 nan 0.000 0.575 66 A N 1.834 124.647 122.820 -0.011 0.000 2.512 66 A HA 0.022 4.342 4.320 -0.000 0.000 0.278 66 A C -0.031 177.547 177.584 -0.010 0.000 1.128 66 A CA 0.814 52.846 52.037 -0.010 0.000 0.818 66 A CB -0.096 18.899 19.000 -0.009 0.000 1.044 66 A HN 0.269 nan 8.150 nan 0.000 0.526 88 Q N 0.870 120.660 119.800 -0.016 0.000 2.299 88 Q HA 0.510 4.850 4.340 -0.000 0.000 0.246 88 Q C 1.243 177.236 176.000 -0.012 0.000 0.935 88 Q CA 0.292 56.084 55.803 -0.019 0.000 0.887 88 Q CB 2.085 30.812 28.738 -0.017 0.000 1.223 88 Q HN 0.623 nan 8.270 nan 0.000 0.439 89 A N 3.191 126.003 122.820 -0.015 0.000 1.883 89 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 89 A C 1.784 179.369 177.584 0.002 0.000 1.186 89 A CA 2.002 54.035 52.037 -0.006 0.000 0.624 89 A CB -0.318 18.676 19.000 -0.009 0.000 0.822 89 A HN 0.796 nan 8.150 nan 0.000 0.444 90 E N 0.134 120.336 120.200 0.004 0.000 2.086 90 E HA -0.155 4.195 4.350 -0.000 0.000 0.200 90 E C 2.248 178.852 176.600 0.008 0.000 1.012 90 E CA 1.631 58.037 56.400 0.010 0.000 0.812 90 E CB -0.537 29.173 29.700 0.017 0.000 0.743 90 E HN 0.615 nan 8.360 nan 0.000 0.453 91 A N 0.609 123.431 122.820 0.003 0.000 1.883 91 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 91 A C 2.267 179.853 177.584 0.002 0.000 1.186 91 A CA 1.440 53.478 52.037 0.001 0.000 0.624 91 A CB -0.817 18.181 19.000 -0.003 0.000 0.822 91 A HN 0.198 nan 8.150 nan 0.000 0.444 92 L N -1.225 120.000 121.223 0.004 0.000 2.012 92 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 92 L C 2.579 179.461 176.870 0.019 0.000 1.073 92 L CA 1.327 56.172 54.840 0.009 0.000 0.748 92 L CB -0.568 41.497 42.059 0.009 0.000 0.891 92 L HN 0.468 nan 8.230 nan 0.000 0.431 93 L N 0.122 121.357 121.223 0.020 0.000 1.989 93 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 93 L C 2.671 179.558 176.870 0.027 0.000 1.071 93 L CA 2.162 57.019 54.840 0.028 0.000 0.749 93 L CB -0.926 41.146 42.059 0.023 0.000 0.890 93 L HN 0.196 nan 8.230 nan 0.000 0.431 94 A N -0.761 122.069 122.820 0.016 0.000 1.869 94 A HA -0.347 3.972 4.320 -0.000 0.000 0.218 94 A C 2.327 179.915 177.584 0.007 0.000 1.203 94 A CA 2.241 54.284 52.037 0.009 0.000 0.638 94 A CB -1.075 17.927 19.000 0.003 0.000 0.831 94 A HN 0.648 nan 8.150 nan 0.000 0.450 95 E N 0.236 120.438 120.200 0.002 0.000 2.086 95 E HA -0.120 4.229 4.350 -0.000 0.000 0.200 95 E C 1.348 177.943 176.600 -0.007 0.000 1.012 95 E CA 0.764 57.158 56.400 -0.011 0.000 0.812 95 E CB -0.351 29.340 29.700 -0.014 0.000 0.743 95 E HN 0.634 nan 8.360 nan 0.000 0.453 99 K N 1.229 121.574 120.400 -0.092 0.000 2.034 99 K HA -0.180 4.140 4.320 -0.000 0.000 0.214 99 K C 1.962 178.419 176.600 -0.239 0.000 1.051 99 K CA 2.463 58.626 56.287 -0.206 0.000 0.931 99 K CB -0.234 32.070 32.500 -0.327 0.000 0.715 99 K HN 0.175 nan 8.250 nan 0.000 0.446 100 F N 0.379 120.281 119.950 -0.080 0.000 2.206 100 F HA -0.009 4.518 4.527 -0.000 0.000 0.298 100 F C 2.523 178.239 175.800 -0.139 0.000 1.090 100 F CA 0.974 58.912 58.000 -0.103 0.000 1.323 100 F CB -0.531 38.397 39.000 -0.120 0.000 1.028 100 F HN 0.265 nan 8.300 nan 0.000 0.492 101 G N 0.143 108.948 108.800 0.007 0.000 2.446 101 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 101 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 101 G C 1.793 176.672 174.900 -0.035 0.000 1.168 101 G CA 0.698 45.758 45.100 -0.067 0.000 0.771 101 G HN 0.208 nan 8.290 nan 0.000 0.551 102 R N 0.018 120.496 120.500 -0.037 0.000 2.073 102 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 102 R C 2.503 178.787 176.300 -0.027 0.000 1.134 102 R CA 1.311 57.390 56.100 -0.036 0.000 0.952 102 R CB -0.377 29.892 30.300 -0.052 0.000 0.850 102 R HN 0.480 nan 8.270 nan 0.000 0.433 103 E N 0.826 121.007 120.200 -0.033 0.000 2.110 103 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 103 E C 2.043 178.663 176.600 0.034 0.000 0.988 103 E CA 0.770 57.165 56.400 -0.008 0.000 0.804 103 E CB 0.060 29.748 29.700 -0.020 0.000 0.745 103 E HN 0.277 nan 8.360 nan 0.000 0.458 104 L N -0.379 120.872 121.223 0.046 0.000 1.994 104 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 104 L C 1.441 178.330 176.870 0.031 0.000 1.071 104 L CA 1.106 55.974 54.840 0.047 0.000 0.745 104 L CB -0.514 41.565 42.059 0.033 0.000 0.892 104 L HN 0.426 nan 8.230 nan 0.000 0.431 105 G N -0.649 108.160 108.800 0.014 0.000 2.587 105 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.212 105 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.212 105 G C -0.035 174.875 174.900 0.016 0.000 1.327 105 G CA 0.107 45.214 45.100 0.011 0.000 0.898 105 G HN 0.234 nan 8.290 nan 0.000 0.551 106 D N -0.988 119.422 120.400 0.016 0.000 2.216 106 D HA 0.059 4.699 4.640 -0.000 0.000 0.208 106 D C 1.948 178.263 176.300 0.026 0.000 0.960 106 D CA 1.296 55.307 54.000 0.018 0.000 0.861 106 D CB -0.082 40.725 40.800 0.012 0.000 0.985 106 D HN 0.321 nan 8.370 nan 0.000 0.493 107 D N 0.215 120.631 120.400 0.026 0.000 2.248 107 D HA -0.198 4.442 4.640 -0.000 0.000 0.189 107 D C 1.511 177.832 176.300 0.035 0.000 1.011 107 D CA 1.584 55.601 54.000 0.028 0.000 0.868 107 D CB -0.638 40.179 40.800 0.028 0.000 0.931 107 D HN 0.428 nan 8.370 nan 0.000 0.449 108 C N -0.566 118.764 119.300 0.050 0.000 2.425 108 C HA 0.393 4.853 4.460 -0.000 0.000 0.330 108 C C 1.712 176.745 174.990 0.071 0.000 2.590 108 C CA -0.541 58.516 59.018 0.064 0.000 1.822 108 C CB -0.269 27.528 27.740 0.094 0.000 1.989 108 C HN 0.151 nan 8.230 nan 0.000 0.437 109 N N -1.068 117.691 118.700 0.099 0.000 2.545 109 N HA 0.126 4.866 4.740 -0.000 0.000 0.190 109 N C 1.130 176.745 175.510 0.176 0.000 1.043 109 N CA 0.155 53.269 53.050 0.106 0.000 0.879 109 N CB -0.563 37.974 38.487 0.083 0.000 1.210 109 N HN 0.607 nan 8.380 nan 0.000 0.437 110 F N 2.337 122.292 119.950 0.009 0.000 2.091 110 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 110 F C 2.180 177.992 175.800 0.020 0.000 1.103 110 F CA 1.520 59.526 58.000 0.010 0.000 1.228 110 F CB -0.970 38.033 39.000 0.006 0.000 0.984 110 F HN 0.067 nan 8.300 nan 0.000 0.477 111 G N 0.418 109.231 108.800 0.022 0.000 2.587 111 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 111 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 111 G C -0.558 174.312 174.900 -0.050 0.000 1.240 111 G CA 1.104 46.160 45.100 -0.074 0.000 0.794 111 G HN 0.267 nan 8.290 nan 0.000 0.580 112 P HA -0.177 nan 4.420 nan 0.000 0.217 112 P C 2.243 179.547 177.300 0.007 0.000 1.162 112 P CA 2.452 65.556 63.100 0.007 0.000 0.901 112 P CB -0.274 31.441 31.700 0.025 0.000 0.793 113 A N -0.912 121.929 122.820 0.035 0.000 1.908 113 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 113 A C 2.274 179.863 177.584 0.009 0.000 1.181 113 A CA 1.536 53.604 52.037 0.052 0.000 0.627 113 A CB -1.672 17.406 19.000 0.131 0.000 0.818 113 A HN 0.123 nan 8.150 nan 0.000 0.445 114 L N -0.783 120.396 121.223 -0.073 0.000 2.083 114 L HA -0.151 4.188 4.340 -0.000 0.000 0.209 114 L C 2.832 179.665 176.870 -0.061 0.000 1.083 114 L CA 1.038 55.802 54.840 -0.127 0.000 0.752 114 L CB -0.874 41.009 42.059 -0.293 0.000 0.899 114 L HN 0.516 nan 8.230 nan 0.000 0.433 115 G N -0.156 108.616 108.800 -0.048 0.000 2.459 115 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 115 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 115 G C 1.367 176.259 174.900 -0.014 0.000 1.183 115 G CA 0.755 45.839 45.100 -0.027 0.000 0.776 115 G HN 0.412 nan 8.290 nan 0.000 0.552 116 E N -0.115 120.082 120.200 -0.005 0.000 2.023 116 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 116 E C 2.757 179.358 176.600 0.002 0.000 1.003 116 E CA 1.347 57.748 56.400 0.002 0.000 0.809 116 E CB -0.335 29.371 29.700 0.010 0.000 0.755 116 E HN 0.258 nan 8.360 nan 0.000 0.449 117 V N 1.155 121.073 119.914 0.007 0.000 2.392 117 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 117 V C 2.337 178.434 176.094 0.004 0.000 1.059 117 V CA 1.937 64.243 62.300 0.010 0.000 1.051 117 V CB -1.200 30.636 31.823 0.023 0.000 0.658 117 V HN 0.453 nan 8.190 nan 0.000 0.455 118 G N -0.404 108.394 108.800 -0.003 0.000 2.491 118 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 118 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 118 G C 1.465 176.363 174.900 -0.003 0.000 1.180 118 G CA 1.230 46.328 45.100 -0.003 0.000 0.774 118 G HN 0.502 nan 8.290 nan 0.000 0.562 119 E N 0.849 121.046 120.200 -0.006 0.000 2.049 119 E HA 0.068 4.418 4.350 -0.000 0.000 0.198 119 E C 2.145 178.742 176.600 -0.005 0.000 1.007 119 E CA 0.752 57.148 56.400 -0.006 0.000 0.809 119 E CB -0.603 29.093 29.700 -0.006 0.000 0.749 119 E HN 0.493 nan 8.360 nan 0.000 0.450 123 E N 1.737 121.935 120.200 -0.003 0.000 2.033 123 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 123 E C 1.918 178.516 176.600 -0.004 0.000 1.011 123 E CA 1.556 57.953 56.400 -0.006 0.000 0.815 123 E CB -0.237 29.456 29.700 -0.013 0.000 0.755 123 E HN 0.388 nan 8.360 nan 0.000 0.451 124 L N 1.171 122.388 121.223 -0.009 0.000 2.043 124 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 124 L C 2.867 179.762 176.870 0.041 0.000 1.075 124 L CA 1.450 56.288 54.840 -0.003 0.000 0.752 124 L CB -0.534 41.520 42.059 -0.009 0.000 0.891 124 L HN 0.156 nan 8.230 nan 0.000 0.432 125 S N -0.229 115.487 115.700 0.028 0.000 2.359 125 S HA -0.268 4.202 4.470 -0.000 0.000 0.223 125 S C 1.828 176.446 174.600 0.030 0.000 1.039 125 S CA 1.962 60.178 58.200 0.026 0.000 1.042 125 S CB -0.161 63.046 63.200 0.011 0.000 0.915 125 S HN 0.455 nan 8.310 nan 0.000 0.439 126 E N -0.063 120.151 120.200 0.022 0.000 2.058 126 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 126 E C 2.182 178.807 176.600 0.040 0.000 0.997 126 E CA 1.518 57.931 56.400 0.021 0.000 0.801 126 E CB -0.293 29.414 29.700 0.012 0.000 0.746 126 E HN 0.415 nan 8.360 nan 0.000 0.450 127 V N 1.693 121.640 119.914 0.055 0.000 2.324 127 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 127 V C 2.370 178.583 176.094 0.198 0.000 1.060 127 V CA 1.652 64.014 62.300 0.103 0.000 1.042 127 V CB -0.505 31.349 31.823 0.051 0.000 0.650 127 V HN 0.195 nan 8.190 nan 0.000 0.450 128 K N -0.193 120.325 120.400 0.196 0.000 2.057 128 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 128 K C 1.971 178.551 176.600 -0.033 0.000 1.049 128 K CA 1.681 58.010 56.287 0.070 0.000 0.931 128 K CB -0.606 31.923 32.500 0.049 0.000 0.714 128 K HN 0.519 nan 8.250 nan 0.000 0.440 129 D N 0.411 120.810 120.400 -0.002 0.000 2.126 129 D HA -0.172 4.467 4.640 -0.000 0.000 0.190 129 D C 1.888 178.183 176.300 -0.009 0.000 1.001 129 D CA 2.030 56.022 54.000 -0.013 0.000 0.841 129 D CB -0.158 40.641 40.800 -0.002 0.000 0.949 129 D HN 0.322 nan 8.370 nan 0.000 0.446 130 S N 0.772 116.482 115.700 0.016 0.000 2.383 130 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 130 S C 2.143 176.751 174.600 0.013 0.000 1.030 130 S CA 0.915 59.129 58.200 0.022 0.000 1.002 130 S CB -0.607 62.617 63.200 0.040 0.000 0.829 130 S HN 0.227 nan 8.310 nan 0.000 0.467 131 L N 2.419 123.640 121.223 -0.004 0.000 2.012 131 L HA 0.037 4.376 4.340 -0.000 0.000 0.210 131 L C 0.487 177.311 176.870 -0.076 0.000 1.073 131 L CA 1.773 56.571 54.840 -0.071 0.000 0.748 131 L CB -1.142 40.738 42.059 -0.298 0.000 0.891 131 L HN 0.178 nan 8.230 nan 0.000 0.431 135 V N 2.342 122.288 119.914 0.052 0.000 2.343 135 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 135 V C 2.378 178.557 176.094 0.142 0.000 1.051 135 V CA 2.305 64.666 62.300 0.102 0.000 1.036 135 V CB -0.462 31.413 31.823 0.087 0.000 0.654 135 V HN 0.137 nan 8.190 nan 0.000 0.451 136 K N 0.700 121.151 120.400 0.084 0.000 2.020 136 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 136 K C 2.277 178.913 176.600 0.059 0.000 1.050 136 K CA 2.202 58.527 56.287 0.064 0.000 0.929 136 K CB -0.504 32.015 32.500 0.032 0.000 0.714 136 K HN 0.527 nan 8.250 nan 0.000 0.443 137 Q N -0.648 119.184 119.800 0.053 0.000 2.123 137 Q HA -0.072 4.268 4.340 -0.000 0.000 0.199 137 Q C 0.647 176.682 176.000 0.058 0.000 0.966 137 Q CA 1.511 57.339 55.803 0.043 0.000 0.845 137 Q CB 0.097 28.855 28.738 0.034 0.000 0.907 137 Q HN 0.364 nan 8.270 nan 0.000 0.439 138 N N -1.123 117.632 118.700 0.090 0.000 2.236 138 N HA 0.066 4.806 4.740 -0.000 0.000 0.196 138 N C 0.155 175.784 175.510 0.199 0.000 1.114 138 N CA 0.251 53.368 53.050 0.110 0.000 0.859 138 N CB 0.561 39.104 38.487 0.094 0.000 0.982 138 N HN 0.213 nan 8.380 nan 0.000 0.493 139 F N 0.172 120.126 119.950 0.007 0.000 2.212 139 F HA 0.300 4.827 4.527 -0.000 0.000 0.262 139 F C 1.484 177.286 175.800 0.004 0.000 0.906 139 F CA -0.071 57.933 58.000 0.005 0.000 1.127 139 F CB -0.070 38.935 39.000 0.008 0.000 1.178 139 F HN -0.285 nan 8.300 nan 0.000 0.779 140 I N 1.249 121.809 120.570 -0.018 0.000 2.142 140 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 140 I C 1.798 177.841 176.117 -0.122 0.000 1.078 140 I CA 1.595 62.825 61.300 -0.118 0.000 1.343 140 I CB -1.365 36.637 38.000 0.004 0.000 1.046 140 I HN 0.179 nan 8.210 nan 0.000 0.405 141 D N 0.899 121.267 120.400 -0.053 0.000 2.084 141 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 141 D C -0.288 175.978 176.300 -0.056 0.000 0.990 141 D CA 1.419 55.395 54.000 -0.041 0.000 0.826 141 D CB -1.775 39.018 40.800 -0.012 0.000 0.971 141 D HN 0.227 nan 8.370 nan 0.000 0.453 142 P HA -0.105 nan 4.420 nan 0.000 0.216 142 P C 1.793 179.037 177.300 -0.094 0.000 1.153 142 P CA 0.847 63.911 63.100 -0.059 0.000 0.858 142 P CB -0.016 31.658 31.700 -0.043 0.000 0.789 143 L N -1.188 119.927 121.223 -0.180 0.000 2.017 143 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 143 L C 2.740 179.555 176.870 -0.092 0.000 1.073 143 L CA 1.507 56.233 54.840 -0.190 0.000 0.745 143 L CB -0.954 40.889 42.059 -0.360 0.000 0.894 143 L HN -0.015 nan 8.230 nan 0.000 0.432 144 Q N 0.915 120.661 119.800 -0.090 0.000 2.045 144 Q HA -0.277 4.062 4.340 -0.000 0.000 0.206 144 Q C 1.839 177.850 176.000 0.019 0.000 0.991 144 Q CA 2.460 58.245 55.803 -0.030 0.000 0.851 144 Q CB -0.414 28.300 28.738 -0.041 0.000 0.911 144 Q HN 0.402 nan 8.270 nan 0.000 0.418 145 N N -0.983 117.711 118.700 -0.009 0.000 2.149 145 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 145 N C 1.540 177.047 175.510 -0.005 0.000 1.019 145 N CA 1.281 54.327 53.050 -0.006 0.000 0.857 145 N CB -0.322 38.156 38.487 -0.016 0.000 0.997 145 N HN 0.345 nan 8.380 nan 0.000 0.426 146 L N 0.051 121.269 121.223 -0.008 0.000 2.083 146 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 146 L C 2.309 179.184 176.870 0.008 0.000 1.083 146 L CA 1.698 56.532 54.840 -0.010 0.000 0.752 146 L CB -0.800 41.246 42.059 -0.021 0.000 0.899 146 L HN 0.411 nan 8.230 nan 0.000 0.433 147 H N -0.882 118.155 119.070 -0.056 0.000 2.357 147 H HA -0.122 4.434 4.556 -0.000 0.000 0.301 147 H C 1.334 176.639 175.328 -0.039 0.000 1.082 147 H CA 1.766 57.786 56.048 -0.047 0.000 1.342 147 H CB 0.267 29.999 29.762 -0.050 0.000 1.389 147 H HN 0.416 nan 8.280 nan 0.000 0.511 148 D N 0.925 121.314 120.400 -0.019 0.000 2.087 148 D HA -0.114 4.526 4.640 -0.000 0.000 0.210 148 D C 2.343 178.579 176.300 -0.107 0.000 0.973 148 D CA 0.705 54.663 54.000 -0.069 0.000 0.882 148 D CB -0.074 40.724 40.800 -0.003 0.000 1.019 148 D HN 0.209 nan 8.370 nan 0.000 0.450 149 K N 1.201 121.561 120.400 -0.066 0.000 1.969 149 K HA -0.140 4.180 4.320 -0.000 0.000 0.223 149 K C 1.673 178.226 176.600 -0.079 0.000 1.048 149 K CA 1.385 57.632 56.287 -0.066 0.000 0.983 149 K CB -1.043 31.432 32.500 -0.041 0.000 0.738 149 K HN 0.287 nan 8.250 nan 0.000 0.446 150 D N 1.000 121.364 120.400 -0.060 0.000 2.097 150 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 150 D C 2.318 178.577 176.300 -0.068 0.000 0.989 150 D CA 1.079 55.050 54.000 -0.047 0.000 0.827 150 D CB -0.219 40.563 40.800 -0.030 0.000 0.966 150 D HN 0.114 nan 8.370 nan 0.000 0.456 151 L N 0.461 121.624 121.223 -0.099 0.000 2.072 151 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 151 L C 2.784 179.556 176.870 -0.163 0.000 1.079 151 L CA 0.688 55.452 54.840 -0.127 0.000 0.752 151 L CB -0.276 41.689 42.059 -0.157 0.000 0.906 151 L HN -0.070 nan 8.230 nan 0.000 0.436 152 R N 0.203 120.578 120.500 -0.208 0.000 2.081 152 R HA -0.208 4.131 4.340 -0.000 0.000 0.235 152 R C 2.240 178.463 176.300 -0.129 0.000 1.131 152 R CA 1.650 57.645 56.100 -0.175 0.000 0.960 152 R CB -0.114 30.082 30.300 -0.173 0.000 0.856 152 R HN 0.363 nan 8.270 nan 0.000 0.436 153 E N 0.450 120.560 120.200 -0.151 0.000 2.038 153 E HA -0.221 4.128 4.350 -0.000 0.000 0.195 153 E C 2.045 178.477 176.600 -0.280 0.000 1.000 153 E CA 1.597 57.856 56.400 -0.236 0.000 0.803 153 E CB -0.126 29.459 29.700 -0.191 0.000 0.750 153 E HN 0.363 nan 8.360 nan 0.000 0.448 154 I N 0.956 121.468 120.570 -0.097 0.000 2.163 154 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 154 I C 2.887 179.013 176.117 0.016 0.000 1.085 154 I CA 1.401 62.715 61.300 0.024 0.000 1.347 154 I CB -0.339 37.676 38.000 0.025 0.000 1.044 154 I HN 0.279 nan 8.210 nan 0.000 0.408 155 Q N 0.088 119.874 119.800 -0.022 0.000 2.061 155 Q HA -0.327 4.013 4.340 -0.000 0.000 0.204 155 Q C 2.239 178.250 176.000 0.019 0.000 0.984 155 Q CA 2.250 58.052 55.803 -0.003 0.000 0.846 155 Q CB -0.173 28.548 28.738 -0.027 0.000 0.902 155 Q HN 0.567 nan 8.270 nan 0.000 0.421 156 H N -0.667 118.342 119.070 -0.101 0.000 2.265 156 H HA -0.179 4.377 4.556 -0.000 0.000 0.295 156 H C 1.708 177.029 175.328 -0.012 0.000 1.084 156 H CA 2.586 58.579 56.048 -0.093 0.000 1.261 156 H CB -0.360 29.296 29.762 -0.176 0.000 1.360 156 H HN 0.457 nan 8.280 nan 0.000 0.487 157 H N -0.618 118.473 119.070 0.034 0.000 2.353 157 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 157 H C 2.491 177.804 175.328 -0.025 0.000 1.103 157 H CA 1.201 57.244 56.048 -0.009 0.000 1.293 157 H CB -0.024 29.770 29.762 0.053 0.000 1.372 157 H HN 0.290 nan 8.280 nan 0.000 0.501 158 L N 0.473 121.776 121.223 0.134 0.000 2.056 158 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 158 L C 2.607 179.512 176.870 0.059 0.000 1.078 158 L CA 1.185 56.096 54.840 0.119 0.000 0.749 158 L CB -0.289 41.835 42.059 0.107 0.000 0.901 158 L HN 0.217 nan 8.230 nan 0.000 0.433 159 K N 0.650 121.047 120.400 -0.005 0.000 2.009 159 K HA -0.282 4.038 4.320 -0.000 0.000 0.210 159 K C 2.230 178.799 176.600 -0.051 0.000 1.049 159 K CA 1.843 58.109 56.287 -0.034 0.000 0.929 159 K CB -0.035 32.423 32.500 -0.070 0.000 0.714 159 K HN 0.044 nan 8.250 nan 0.000 0.440 160 K N 0.511 120.830 120.400 -0.135 0.000 2.020 160 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 160 K C 2.196 178.795 176.600 -0.001 0.000 1.050 160 K CA 1.752 57.979 56.287 -0.100 0.000 0.929 160 K CB -0.319 32.089 32.500 -0.153 0.000 0.714 160 K HN 0.130 nan 8.250 nan 0.000 0.443 161 L N 1.618 122.856 121.223 0.024 0.000 1.990 161 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 161 L C 2.199 179.137 176.870 0.113 0.000 1.072 161 L CA 2.268 57.141 54.840 0.055 0.000 0.755 161 L CB -0.828 41.261 42.059 0.049 0.000 0.889 161 L HN 0.289 nan 8.230 nan 0.000 0.432 162 E N -0.221 120.035 120.200 0.094 0.000 2.049 162 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 162 E C 2.129 178.780 176.600 0.085 0.000 1.007 162 E CA 1.862 58.320 56.400 0.095 0.000 0.809 162 E CB -1.140 28.602 29.700 0.071 0.000 0.749 162 E HN 0.530 nan 8.360 nan 0.000 0.450 163 G N 0.483 109.317 108.800 0.057 0.000 2.529 163 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.219 163 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.219 163 G C 1.725 176.672 174.900 0.080 0.000 1.177 163 G CA 1.257 46.385 45.100 0.047 0.000 0.773 163 G HN 0.276 nan 8.290 nan 0.000 0.573 164 R N -0.424 120.143 120.500 0.111 0.000 2.120 164 R HA 0.039 4.378 4.340 -0.000 0.000 0.234 164 R C 2.683 179.117 176.300 0.222 0.000 1.123 164 R CA 0.711 56.910 56.100 0.165 0.000 0.975 164 R CB -0.263 30.141 30.300 0.172 0.000 0.866 164 R HN 0.200 nan 8.270 nan 0.000 0.446 165 R N 1.317 121.960 120.500 0.237 0.000 2.070 165 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 165 R C 2.240 178.581 176.300 0.067 0.000 1.138 165 R CA 1.472 57.631 56.100 0.098 0.000 0.936 165 R CB -0.562 29.818 30.300 0.133 0.000 0.839 165 R HN 0.200 nan 8.270 nan 0.000 0.429 166 L N 0.637 121.904 121.223 0.073 0.000 1.990 166 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 166 L C 2.359 179.276 176.870 0.079 0.000 1.072 166 L CA 2.044 56.917 54.840 0.055 0.000 0.755 166 L CB -0.607 41.474 42.059 0.036 0.000 0.889 166 L HN 0.259 nan 8.230 nan 0.000 0.432 167 D N -0.579 119.877 120.400 0.093 0.000 2.104 167 D HA -0.273 4.366 4.640 -0.000 0.000 0.194 167 D C 1.981 178.382 176.300 0.168 0.000 0.994 167 D CA 1.173 55.247 54.000 0.122 0.000 0.830 167 D CB -0.087 40.776 40.800 0.105 0.000 0.959 167 D HN 0.238 nan 8.370 nan 0.000 0.452 168 F N 1.101 121.059 119.950 0.014 0.000 2.126 168 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 168 F C 1.824 177.590 175.800 -0.056 0.000 1.096 168 F CA 1.581 59.557 58.000 -0.040 0.000 1.255 168 F CB -0.296 38.616 39.000 -0.148 0.000 0.997 168 F HN -0.099 nan 8.300 nan 0.000 0.479 169 D N -0.613 119.716 120.400 -0.119 0.000 2.104 169 D HA -0.257 4.383 4.640 -0.000 0.000 0.194 169 D C 1.996 178.185 176.300 -0.185 0.000 0.994 169 D CA 1.791 55.666 54.000 -0.207 0.000 0.830 169 D CB -0.922 39.848 40.800 -0.051 0.000 0.959 169 D HN 0.475 nan 8.370 nan 0.000 0.452 170 Y N 2.061 122.259 120.300 -0.169 0.000 2.070 170 Y HA -0.241 4.309 4.550 -0.000 0.000 0.280 170 Y C 2.064 177.859 175.900 -0.174 0.000 1.148 170 Y CA 1.897 59.916 58.100 -0.134 0.000 1.125 170 Y CB -0.106 38.308 38.460 -0.077 0.000 0.975 170 Y HN -0.168 nan 8.280 nan 0.000 0.492 171 K N -0.114 120.155 120.400 -0.218 0.000 2.209 171 K HA -0.205 4.114 4.320 -0.000 0.000 0.204 171 K C 2.059 178.416 176.600 -0.404 0.000 1.048 171 K CA 1.446 57.542 56.287 -0.318 0.000 0.940 171 K CB -0.162 32.292 32.500 -0.076 0.000 0.729 171 K HN 0.155 nan 8.250 nan 0.000 0.451 172 K N 2.006 122.073 120.400 -0.554 0.000 2.001 172 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 172 K C 1.676 178.062 176.600 -0.358 0.000 1.048 172 K CA 1.572 57.527 56.287 -0.553 0.000 0.932 172 K CB -0.025 31.980 32.500 -0.824 0.000 0.715 172 K HN -0.090 nan 8.250 nan 0.000 0.437 173 K N 0.104 120.302 120.400 -0.337 0.000 2.127 173 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 173 K C 1.245 177.679 176.600 -0.276 0.000 1.047 173 K CA 1.677 57.806 56.287 -0.263 0.000 0.927 173 K CB -0.094 32.265 32.500 -0.234 0.000 0.716 173 K HN 0.116 nan 8.250 nan 0.000 0.450 174 R N 0.726 121.001 120.500 -0.375 0.000 2.752 174 R HA 0.013 4.353 4.340 -0.000 0.000 0.279 174 R C 1.461 177.633 176.300 -0.213 0.000 1.212 174 R CA -0.135 55.780 56.100 -0.308 0.000 1.169 174 R CB 0.117 30.172 30.300 -0.409 0.000 1.286 174 R HN 0.280 nan 8.270 nan 0.000 0.564 175 Q N 0.666 120.355 119.800 -0.186 0.000 2.045 175 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 175 Q C 1.963 177.905 176.000 -0.096 0.000 0.991 175 Q CA 2.211 57.932 55.803 -0.137 0.000 0.851 175 Q CB -0.218 28.449 28.738 -0.119 0.000 0.911 175 Q HN 0.512 nan 8.270 nan 0.000 0.418 176 G N 0.346 109.094 108.800 -0.086 0.000 2.422 176 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 176 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 176 G C 1.265 176.131 174.900 -0.058 0.000 1.146 176 G CA 0.808 45.870 45.100 -0.062 0.000 0.769 176 G HN 0.288 nan 8.290 nan 0.000 0.547 177 K N -0.230 120.126 120.400 -0.073 0.000 2.365 177 K HA 0.177 4.497 4.320 -0.000 0.000 0.197 177 K C 0.708 177.278 176.600 -0.050 0.000 1.042 177 K CA 0.198 56.449 56.287 -0.061 0.000 0.987 177 K CB 0.078 32.535 32.500 -0.072 0.000 0.779 177 K HN 0.567 nan 8.250 nan 0.000 0.484 178 I N -1.113 119.423 120.570 -0.057 0.000 2.740 178 I HA 0.397 4.567 4.170 -0.000 0.000 0.303 178 I C -2.692 173.410 176.117 -0.025 0.000 1.044 178 I CA -3.122 58.156 61.300 -0.037 0.000 1.064 178 I CB 1.477 39.453 38.000 -0.039 0.000 1.249 178 I HN -0.244 nan 8.210 nan 0.000 0.433 179 P HA 0.058 nan 4.420 nan 0.000 0.264 179 P C -0.214 177.086 177.300 0.001 0.000 1.193 179 P CA 0.127 63.225 63.100 -0.004 0.000 0.763 179 P CB 0.678 32.380 31.700 0.003 0.000 0.810 180 D N 2.172 122.573 120.400 0.001 0.000 2.170 180 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 180 D C 1.589 177.903 176.300 0.023 0.000 1.004 180 D CA 1.619 55.625 54.000 0.009 0.000 0.860 180 D CB -0.262 40.543 40.800 0.009 0.000 0.931 180 D HN 0.538 nan 8.370 nan 0.000 0.448 181 E N 1.096 121.309 120.200 0.021 0.000 2.114 181 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 181 E C 1.891 178.514 176.600 0.038 0.000 1.008 181 E CA 1.688 58.105 56.400 0.027 0.000 0.810 181 E CB -0.204 29.508 29.700 0.021 0.000 0.739 181 E HN 0.424 nan 8.360 nan 0.000 0.456 182 E N -0.849 119.372 120.200 0.035 0.000 2.031 182 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 182 E C 2.090 178.731 176.600 0.068 0.000 0.994 182 E CA 1.185 57.613 56.400 0.046 0.000 0.800 182 E CB -0.261 29.460 29.700 0.035 0.000 0.752 182 E HN 0.303 nan 8.360 nan 0.000 0.447 183 L N 1.439 122.697 121.223 0.057 0.000 2.012 183 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 183 L C 2.454 179.425 176.870 0.168 0.000 1.073 183 L CA 1.748 56.643 54.840 0.090 0.000 0.748 183 L CB -0.543 41.535 42.059 0.032 0.000 0.891 183 L HN 0.053 nan 8.230 nan 0.000 0.431 184 R N -0.420 120.147 120.500 0.111 0.000 2.096 184 R HA -0.213 4.127 4.340 -0.000 0.000 0.240 184 R C 2.260 178.616 176.300 0.093 0.000 1.139 184 R CA 2.271 58.429 56.100 0.097 0.000 0.952 184 R CB -0.489 29.846 30.300 0.058 0.000 0.854 184 R HN 0.615 nan 8.270 nan 0.000 0.436 185 Q N -0.843 119.007 119.800 0.084 0.000 2.124 185 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 185 Q C 2.080 178.142 176.000 0.103 0.000 0.977 185 Q CA 1.603 57.451 55.803 0.075 0.000 0.850 185 Q CB -0.102 28.673 28.738 0.062 0.000 0.901 185 Q HN 0.397 nan 8.270 nan 0.000 0.429 186 A N 0.833 123.747 122.820 0.157 0.000 1.902 186 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 186 A C 2.027 179.739 177.584 0.212 0.000 1.181 186 A CA 1.144 53.317 52.037 0.226 0.000 0.623 186 A CB -0.638 18.549 19.000 0.313 0.000 0.818 186 A HN 0.340 nan 8.150 nan 0.000 0.443 187 L N 0.124 121.450 121.223 0.172 0.000 2.012 187 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 187 L C 2.296 179.154 176.870 -0.021 0.000 1.073 187 L CA 2.681 57.440 54.840 -0.135 0.000 0.748 187 L CB -0.707 41.283 42.059 -0.115 0.000 0.891 187 L HN 0.619 nan 8.230 nan 0.000 0.431 188 E N -0.641 119.571 120.200 0.020 0.000 2.058 188 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 188 E C 2.199 178.802 176.600 0.005 0.000 0.997 188 E CA 1.524 57.927 56.400 0.006 0.000 0.801 188 E CB -0.041 29.668 29.700 0.014 0.000 0.746 188 E HN 0.482 nan 8.360 nan 0.000 0.450 189 K N -0.190 120.235 120.400 0.042 0.000 2.032 189 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 189 K C 2.093 178.714 176.600 0.036 0.000 1.048 189 K CA 1.614 57.928 56.287 0.044 0.000 0.927 189 K CB -0.422 32.125 32.500 0.079 0.000 0.712 189 K HN 0.163 nan 8.250 nan 0.000 0.441 190 F N 2.856 122.757 119.950 -0.082 0.000 2.069 190 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 190 F C 1.776 177.489 175.800 -0.144 0.000 1.113 190 F CA 1.796 59.720 58.000 -0.127 0.000 1.214 190 F CB -0.358 38.506 39.000 -0.226 0.000 0.978 190 F HN 0.036 nan 8.300 nan 0.000 0.474 191 D N 0.390 120.609 120.400 -0.300 0.000 2.092 191 D HA -0.243 4.397 4.640 -0.000 0.000 0.193 191 D C 2.236 178.349 176.300 -0.312 0.000 0.994 191 D CA 1.701 55.475 54.000 -0.377 0.000 0.828 191 D CB -0.674 40.031 40.800 -0.158 0.000 0.963 191 D HN 0.561 nan 8.370 nan 0.000 0.450 192 E N 0.441 120.529 120.200 -0.187 0.000 2.049 192 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 192 E C 2.069 178.569 176.600 -0.168 0.000 1.007 192 E CA 1.430 57.746 56.400 -0.139 0.000 0.809 192 E CB 0.035 29.687 29.700 -0.079 0.000 0.749 192 E HN 0.019 nan 8.360 nan 0.000 0.450 193 S N 0.322 115.914 115.700 -0.180 0.000 2.368 193 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 193 S C 1.796 176.273 174.600 -0.205 0.000 1.030 193 S CA 1.401 59.505 58.200 -0.160 0.000 0.999 193 S CB -0.227 62.912 63.200 -0.101 0.000 0.844 193 S HN 0.253 nan 8.310 nan 0.000 0.459 194 K N 1.243 121.413 120.400 -0.384 0.000 2.020 194 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 194 K C 2.026 178.542 176.600 -0.140 0.000 1.050 194 K CA 1.665 57.729 56.287 -0.371 0.000 0.929 194 K CB -0.175 31.893 32.500 -0.721 0.000 0.714 194 K HN 0.355 nan 8.250 nan 0.000 0.443 195 E N 0.420 120.513 120.200 -0.177 0.000 2.049 195 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 195 E C 2.148 178.689 176.600 -0.099 0.000 1.007 195 E CA 1.896 58.228 56.400 -0.113 0.000 0.809 195 E CB -0.316 29.311 29.700 -0.121 0.000 0.749 195 E HN 0.405 nan 8.360 nan 0.000 0.450 196 I N 1.330 121.812 120.570 -0.147 0.000 2.118 196 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 196 I C 2.685 178.665 176.117 -0.229 0.000 1.070 196 I CA 1.313 62.470 61.300 -0.237 0.000 1.327 196 I CB -0.497 37.289 38.000 -0.357 0.000 1.034 196 I HN 0.068 nan 8.210 nan 0.000 0.405 197 A N 0.379 123.133 122.820 -0.110 0.000 1.865 197 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 197 A C 2.249 179.856 177.584 0.038 0.000 1.191 197 A CA 2.110 54.171 52.037 0.040 0.000 0.623 197 A CB -0.812 18.330 19.000 0.237 0.000 0.826 197 A HN 0.472 nan 8.150 nan 0.000 0.444 198 E N -0.693 119.569 120.200 0.104 0.000 2.070 198 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 198 E C 2.374 178.999 176.600 0.041 0.000 1.004 198 E CA 1.460 57.896 56.400 0.060 0.000 0.805 198 E CB -0.215 29.546 29.700 0.103 0.000 0.744 198 E HN 0.607 nan 8.360 nan 0.000 0.451 199 S N 0.801 116.506 115.700 0.007 0.000 2.351 199 S HA -0.148 4.322 4.470 -0.000 0.000 0.220 199 S C 1.294 175.952 174.600 0.097 0.000 1.035 199 S CA 1.144 59.363 58.200 0.030 0.000 1.031 199 S CB -0.377 62.809 63.200 -0.023 0.000 0.928 199 S HN 0.385 nan 8.310 nan 0.000 0.433 203 N N 1.847 120.615 118.700 0.114 0.000 2.149 203 N HA -0.153 4.586 4.740 -0.000 0.000 0.188 203 N C 1.808 177.277 175.510 -0.067 0.000 1.019 203 N CA 1.869 54.929 53.050 0.016 0.000 0.857 203 N CB -0.050 38.497 38.487 0.101 0.000 0.997 203 N HN 0.443 nan 8.380 nan 0.000 0.426 204 L N 1.160 122.354 121.223 -0.048 0.000 2.044 204 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 204 L C 2.121 178.928 176.870 -0.106 0.000 1.075 204 L CA 0.928 55.732 54.840 -0.061 0.000 0.747 204 L CB -0.219 41.819 42.059 -0.036 0.000 0.903 204 L HN 0.058 nan 8.230 nan 0.000 0.435 205 L N -0.306 120.835 121.223 -0.137 0.000 2.450 205 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 205 L C 1.375 178.111 176.870 -0.223 0.000 1.149 205 L CA 0.429 55.175 54.840 -0.157 0.000 0.816 205 L CB -0.295 41.677 42.059 -0.145 0.000 0.932 205 L HN 0.414 nan 8.230 nan 0.000 0.449 209 I N 1.703 122.258 120.570 -0.025 0.000 2.147 209 I HA -0.349 3.821 4.170 -0.000 0.000 0.245 209 I C 2.030 178.145 176.117 -0.004 0.000 1.059 209 I CA 1.841 63.133 61.300 -0.014 0.000 1.320 209 I CB -0.347 37.643 38.000 -0.017 0.000 1.021 209 I HN 0.078 nan 8.210 nan 0.000 0.415 210 E N 0.068 120.264 120.200 -0.007 0.000 2.107 210 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 210 E C 2.324 178.933 176.600 0.016 0.000 0.982 210 E CA 0.794 57.196 56.400 0.003 0.000 0.809 210 E CB -0.013 29.684 29.700 -0.005 0.000 0.756 210 E HN 0.460 nan 8.360 nan 0.000 0.459 211 Q N 0.358 120.164 119.800 0.010 0.000 2.002 211 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 211 Q C 2.500 178.535 176.000 0.059 0.000 0.988 211 Q CA 1.237 57.058 55.803 0.029 0.000 0.843 211 Q CB -0.927 27.820 28.738 0.015 0.000 0.908 211 Q HN 0.223 nan 8.270 nan 0.000 0.420 212 V N 1.146 121.081 119.914 0.036 0.000 2.282 212 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 212 V C 2.577 178.694 176.094 0.038 0.000 1.057 212 V CA 2.069 64.389 62.300 0.033 0.000 1.032 212 V CB -0.915 30.916 31.823 0.012 0.000 0.645 212 V HN 0.369 nan 8.190 nan 0.000 0.447 213 S N -1.223 114.497 115.700 0.034 0.000 2.374 213 S HA -0.329 4.141 4.470 -0.000 0.000 0.227 213 S C 2.052 176.691 174.600 0.064 0.000 1.037 213 S CA 2.247 60.469 58.200 0.037 0.000 1.024 213 S CB -0.207 63.010 63.200 0.028 0.000 0.861 213 S HN 0.705 nan 8.310 nan 0.000 0.456 214 Q N 0.370 120.231 119.800 0.101 0.000 2.020 214 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 214 Q C 2.294 178.435 176.000 0.234 0.000 0.982 214 Q CA 1.824 57.745 55.803 0.197 0.000 0.838 214 Q CB -0.342 28.525 28.738 0.215 0.000 0.899 214 Q HN 0.499 nan 8.270 nan 0.000 0.423 215 L N -0.092 121.244 121.223 0.188 0.000 1.997 215 L HA -0.314 4.026 4.340 -0.000 0.000 0.216 215 L C 2.604 179.434 176.870 -0.068 0.000 1.074 215 L CA 1.436 56.286 54.840 0.017 0.000 0.763 215 L CB -0.797 41.279 42.059 0.027 0.000 0.890 215 L HN 0.276 nan 8.230 nan 0.000 0.434 216 S N -0.468 115.225 115.700 -0.011 0.000 2.372 216 S HA -0.297 4.173 4.470 -0.000 0.000 0.227 216 S C 2.118 176.707 174.600 -0.019 0.000 1.044 216 S CA 1.583 59.773 58.200 -0.017 0.000 1.050 216 S CB -0.233 62.969 63.200 0.003 0.000 0.901 216 S HN 0.466 nan 8.310 nan 0.000 0.447 217 A N 1.556 124.383 122.820 0.012 0.000 1.883 217 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 217 A C 2.215 179.784 177.584 -0.025 0.000 1.186 217 A CA 1.872 53.922 52.037 0.022 0.000 0.624 217 A CB -1.089 17.955 19.000 0.073 0.000 0.822 217 A HN 0.655 nan 8.150 nan 0.000 0.444 218 L N 0.205 121.354 121.223 -0.123 0.000 1.971 218 L HA -0.169 4.171 4.340 -0.000 0.000 0.215 218 L C 2.328 179.097 176.870 -0.169 0.000 1.072 218 L CA 2.542 57.211 54.840 -0.285 0.000 0.758 218 L CB -0.808 40.739 42.059 -0.854 0.000 0.889 218 L HN 0.152 nan 8.230 nan 0.000 0.433 219 V N 0.043 119.863 119.914 -0.157 0.000 2.392 219 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 219 V C 2.746 178.829 176.094 -0.019 0.000 1.059 219 V CA 1.783 64.033 62.300 -0.084 0.000 1.051 219 V CB -0.909 30.866 31.823 -0.080 0.000 0.658 219 V HN 0.571 nan 8.190 nan 0.000 0.455 220 Q N 0.246 120.038 119.800 -0.014 0.000 1.985 220 Q HA -0.245 4.095 4.340 -0.000 0.000 0.207 220 Q C 2.539 178.563 176.000 0.040 0.000 0.996 220 Q CA 2.329 58.141 55.803 0.015 0.000 0.851 220 Q CB -1.001 27.745 28.738 0.014 0.000 0.921 220 Q HN 0.629 nan 8.270 nan 0.000 0.418 221 A N 1.119 123.958 122.820 0.031 0.000 1.892 221 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 221 A C 2.156 179.803 177.584 0.105 0.000 1.188 221 A CA 2.088 54.157 52.037 0.053 0.000 0.631 221 A CB -0.779 18.239 19.000 0.029 0.000 0.822 221 A HN 0.475 nan 8.150 nan 0.000 0.447 222 Q N -1.022 118.840 119.800 0.103 0.000 2.014 222 Q HA -0.230 4.110 4.340 -0.000 0.000 0.207 222 Q C 2.220 178.427 176.000 0.346 0.000 0.993 222 Q CA 1.839 57.781 55.803 0.230 0.000 0.850 222 Q CB -0.409 28.436 28.738 0.178 0.000 0.916 222 Q HN 0.711 nan 8.270 nan 0.000 0.417 223 L N 0.729 122.072 121.223 0.200 0.000 2.012 223 L HA -0.288 4.051 4.340 -0.000 0.000 0.210 223 L C 2.422 179.383 176.870 0.153 0.000 1.073 223 L CA 2.073 57.010 54.840 0.162 0.000 0.748 223 L CB -0.278 41.825 42.059 0.074 0.000 0.891 223 L HN 0.223 nan 8.230 nan 0.000 0.431 224 E N -0.831 119.442 120.200 0.121 0.000 2.038 224 E HA -0.353 3.997 4.350 -0.000 0.000 0.195 224 E C 2.059 178.720 176.600 0.102 0.000 1.000 224 E CA 2.196 58.651 56.400 0.092 0.000 0.803 224 E CB -0.735 29.011 29.700 0.077 0.000 0.750 224 E HN 0.621 nan 8.360 nan 0.000 0.448 225 Y N 0.732 121.037 120.300 0.009 0.000 2.053 225 Y HA -0.328 4.222 4.550 -0.000 0.000 0.277 225 Y C 2.382 178.237 175.900 -0.075 0.000 1.159 225 Y CA 2.632 60.697 58.100 -0.057 0.000 1.125 225 Y CB -0.714 37.678 38.460 -0.113 0.000 0.969 225 Y HN 0.248 nan 8.280 nan 0.000 0.492 226 H N 0.495 119.493 119.070 -0.119 0.000 2.387 226 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 226 H C 2.161 177.387 175.328 -0.171 0.000 1.099 226 H CA 1.828 57.742 56.048 -0.224 0.000 1.315 226 H CB -0.034 29.727 29.762 -0.003 0.000 1.380 226 H HN 0.459 nan 8.280 nan 0.000 0.513 227 K N 0.605 121.018 120.400 0.023 0.000 1.991 227 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 227 K C 2.364 178.929 176.600 -0.058 0.000 1.049 227 K CA 1.480 57.763 56.287 -0.007 0.000 0.932 227 K CB -0.143 32.364 32.500 0.012 0.000 0.717 227 K HN 0.092 nan 8.250 nan 0.000 0.441 228 Q N 0.497 120.250 119.800 -0.079 0.000 2.096 228 Q HA -0.233 4.107 4.340 -0.000 0.000 0.208 228 Q C 1.861 177.781 176.000 -0.134 0.000 0.993 228 Q CA 2.215 57.964 55.803 -0.089 0.000 0.862 228 Q CB -0.323 28.368 28.738 -0.078 0.000 0.915 228 Q HN 0.392 nan 8.270 nan 0.000 0.416 229 A N -0.645 122.025 122.820 -0.250 0.000 1.849 229 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 229 A C 2.263 179.771 177.584 -0.126 0.000 1.202 229 A CA 1.960 53.844 52.037 -0.255 0.000 0.629 229 A CB -1.296 17.434 19.000 -0.450 0.000 0.834 229 A HN 0.286 nan 8.150 nan 0.000 0.447 230 V N 0.101 119.962 119.914 -0.090 0.000 2.277 230 V HA -0.406 3.714 4.120 -0.000 0.000 0.253 230 V C 2.767 178.839 176.094 -0.037 0.000 1.067 230 V CA 2.589 64.864 62.300 -0.041 0.000 1.047 230 V CB -0.943 30.868 31.823 -0.019 0.000 0.649 230 V HN 0.644 nan 8.190 nan 0.000 0.447 231 Q N -1.326 118.449 119.800 -0.041 0.000 2.002 231 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 231 Q C 2.304 178.286 176.000 -0.030 0.000 0.988 231 Q CA 2.209 57.994 55.803 -0.030 0.000 0.843 231 Q CB -0.331 28.391 28.738 -0.027 0.000 0.908 231 Q HN 0.581 nan 8.270 nan 0.000 0.420 232 I N 0.807 121.352 120.570 -0.041 0.000 2.208 232 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 232 I C 2.070 178.171 176.117 -0.027 0.000 1.097 232 I CA 1.212 62.492 61.300 -0.033 0.000 1.363 232 I CB -0.151 37.824 38.000 -0.040 0.000 1.051 232 I HN 0.175 nan 8.210 nan 0.000 0.413 233 L N -0.699 120.505 121.223 -0.032 0.000 2.017 233 L HA -0.286 4.054 4.340 -0.000 0.000 0.208 233 L C 2.564 179.427 176.870 -0.013 0.000 1.073 233 L CA 1.634 56.461 54.840 -0.021 0.000 0.745 233 L CB -0.692 41.352 42.059 -0.023 0.000 0.894 233 L HN 0.311 nan 8.230 nan 0.000 0.432 234 Q N -0.371 119.420 119.800 -0.014 0.000 2.061 234 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 234 Q C 2.260 178.256 176.000 -0.006 0.000 0.984 234 Q CA 1.998 57.796 55.803 -0.009 0.000 0.846 234 Q CB -0.080 28.652 28.738 -0.010 0.000 0.902 234 Q HN 0.394 nan 8.270 nan 0.000 0.421 235 Q N -0.507 119.288 119.800 -0.008 0.000 2.014 235 Q HA -0.198 4.142 4.340 -0.000 0.000 0.207 235 Q C 2.093 178.091 176.000 -0.002 0.000 0.993 235 Q CA 1.932 57.731 55.803 -0.006 0.000 0.850 235 Q CB -0.317 28.417 28.738 -0.008 0.000 0.916 235 Q HN 0.374 nan 8.270 nan 0.000 0.417 236 V N 0.496 120.408 119.914 -0.003 0.000 2.490 236 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 236 V C 2.022 178.119 176.094 0.006 0.000 1.061 236 V CA 2.285 64.586 62.300 0.002 0.000 1.064 236 V CB -0.540 31.284 31.823 0.002 0.000 0.670 236 V HN 0.584 nan 8.190 nan 0.000 0.461 237 T N 0.474 115.030 114.554 0.003 0.000 2.622 237 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 237 T C 1.868 176.572 174.700 0.006 0.000 1.047 237 T CA 2.265 64.368 62.100 0.005 0.000 1.159 237 T CB -0.474 68.395 68.868 0.003 0.000 0.863 237 T HN 0.578 nan 8.240 nan 0.000 0.422 238 V N 1.024 120.940 119.914 0.003 0.000 2.343 238 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 238 V C 2.421 178.518 176.094 0.005 0.000 1.051 238 V CA 2.036 64.338 62.300 0.003 0.000 1.036 238 V CB -0.925 30.899 31.823 0.001 0.000 0.654 238 V HN 0.291 nan 8.190 nan 0.000 0.451 239 R N -0.059 120.445 120.500 0.006 0.000 2.103 239 R HA -0.097 4.243 4.340 -0.000 0.000 0.242 239 R C 2.358 178.666 176.300 0.012 0.000 1.142 239 R CA 2.153 58.257 56.100 0.008 0.000 0.960 239 R CB -0.377 29.928 30.300 0.008 0.000 0.858 239 R HN 0.591 nan 8.270 nan 0.000 0.439 240 L N 0.377 121.608 121.223 0.015 0.000 1.976 240 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 240 L C 2.454 179.333 176.870 0.016 0.000 1.071 240 L CA 1.671 56.523 54.840 0.020 0.000 0.746 240 L CB -0.594 41.480 42.059 0.024 0.000 0.890 240 L HN 0.357 nan 8.230 nan 0.000 0.432 241 E N -0.228 119.979 120.200 0.011 0.000 2.114 241 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 241 E C 2.073 178.678 176.600 0.008 0.000 1.008 241 E CA 1.567 57.971 56.400 0.008 0.000 0.810 241 E CB -0.085 29.618 29.700 0.005 0.000 0.739 241 E HN 0.435 nan 8.360 nan 0.000 0.456 242 E N 0.579 120.784 120.200 0.008 0.000 2.077 242 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 242 E C 2.196 178.802 176.600 0.010 0.000 0.989 242 E CA 0.799 57.204 56.400 0.007 0.000 0.800 242 E CB 0.018 29.722 29.700 0.007 0.000 0.746 242 E HN 0.039 nan 8.360 nan 0.000 0.452 243 R N 0.434 120.942 120.500 0.014 0.000 2.091 243 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 243 R C 2.353 178.663 176.300 0.016 0.000 1.136 243 R CA 1.322 57.433 56.100 0.018 0.000 0.959 243 R CB -0.203 30.112 30.300 0.026 0.000 0.856 243 R HN 0.199 nan 8.270 nan 0.000 0.437 244 I N 0.176 120.753 120.570 0.013 0.000 2.226 244 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 244 I C 2.440 178.560 176.117 0.005 0.000 1.100 244 I CA 1.368 62.672 61.300 0.008 0.000 1.374 244 I CB -0.230 37.773 38.000 0.005 0.000 1.057 244 I HN 0.211 nan 8.210 nan 0.000 0.413 245 R N 0.320 120.823 120.500 0.005 0.000 2.080 245 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 245 R C 2.133 178.435 176.300 0.004 0.000 1.137 245 R CA 1.500 57.602 56.100 0.003 0.000 0.943 245 R CB -0.436 29.866 30.300 0.003 0.000 0.846 245 R HN 0.369 nan 8.270 nan 0.000 0.431 246 Q N 0.208 120.011 119.800 0.006 0.000 2.515 246 Q HA 0.069 4.409 4.340 -0.000 0.000 0.214 246 Q C -0.243 175.761 176.000 0.007 0.000 0.971 246 Q CA -0.062 55.745 55.803 0.007 0.000 0.952 246 Q CB 0.295 29.038 28.738 0.008 0.000 0.999 246 Q HN 0.290 nan 8.270 nan 0.000 0.524 247 A N 0.000 122.824 122.820 0.006 0.000 2.254 247 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 247 A CA 0.000 52.041 52.037 0.006 0.000 0.836 247 A CB 0.000 19.003 19.000 0.005 0.000 0.831 247 A HN 0.000 nan 8.150 nan 0.000 0.486