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 1a9p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQNGYTYEDY QDTAKWLLSH TEQRPQVAVI CGSGLGGLVN KLTQAQTFDY DATA SEQUENCE SEIPNFPEST VPGHAGRLVF GILNGRACVM MQGRFHMYEG YPFWKVTFPV DATA SEQUENCE RVFRLLGVET LVVTNAAGGL NPNFEVGDIM LIRDHINLPG FSGENPLRGP DATA SEQUENCE NEERFGVRFP AMSDAYDRDM RQKAHSTWKQ MGEQRELQEG TYVMLGGPNF DATA SEQUENCE ETVAECRLLR NLGADAVGMS TVPEVIVARH CGLRVFGFSL ITNKVIMDTE DATA SEQUENCE SQGKANHEEV LEAGKQAAQK LEQFVSLLMA SIPVSGHTG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.042 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.553 32.600 -0.078 0.000 1.302 2 Q N 1.119 120.845 119.800 -0.123 0.000 2.631 2 Q HA 0.362 4.702 4.340 0.000 0.000 0.184 2 Q C 0.136 175.733 176.000 -0.671 0.000 1.157 2 Q CA 0.904 56.587 55.803 -0.200 0.000 1.241 2 Q CB -0.685 27.974 28.738 -0.133 0.000 1.343 2 Q HN 0.845 nan 8.270 nan 0.000 0.671 3 N N -0.344 117.904 118.700 -0.754 0.000 2.315 3 N HA 0.119 4.859 4.740 0.000 0.000 0.270 3 N C 0.842 175.671 175.510 -1.134 0.000 1.329 3 N CA 1.007 53.344 53.050 -1.189 0.000 0.860 3 N CB 0.258 38.558 38.487 -0.311 0.000 1.095 3 N HN 0.730 nan 8.380 nan 0.000 0.487 4 G N 2.467 110.102 108.800 -1.942 0.000 3.042 4 G HA2 -0.009 3.951 3.960 0.000 0.000 0.212 4 G HA3 -0.009 3.951 3.960 0.000 0.000 0.212 4 G C -0.419 174.104 174.900 -0.629 0.000 1.166 4 G CA 0.008 44.459 45.100 -1.081 0.000 0.767 4 G HN 0.535 nan 8.290 nan 0.000 0.546 5 Y N 1.611 121.701 120.300 -0.350 0.000 2.320 5 Y HA 0.447 4.996 4.550 -0.000 0.000 0.334 5 Y C 1.032 176.906 175.900 -0.043 0.000 1.055 5 Y CA -1.110 56.884 58.100 -0.176 0.000 1.143 5 Y CB 1.387 39.723 38.460 -0.207 0.000 1.193 5 Y HN 0.019 nan 8.280 nan 0.000 0.477 6 T N -1.102 113.547 114.554 0.158 0.000 2.927 6 T HA 0.132 4.482 4.350 0.000 0.000 0.281 6 T C 0.806 175.740 174.700 0.390 0.000 0.998 6 T CA -0.547 61.691 62.100 0.231 0.000 1.019 6 T CB 0.702 69.656 68.868 0.143 0.000 1.061 6 T HN 0.655 nan 8.240 nan 0.000 0.518 7 Y N 1.187 121.689 120.300 0.336 0.000 2.207 7 Y HA -0.138 4.412 4.550 0.000 0.000 0.287 7 Y C 2.256 178.352 175.900 0.326 0.000 1.156 7 Y CA 2.023 60.365 58.100 0.404 0.000 1.182 7 Y CB -0.343 38.188 38.460 0.119 0.000 0.979 7 Y HN 0.770 nan 8.280 nan 0.000 0.521 8 E N 0.141 120.514 120.200 0.289 0.000 2.204 8 E HA -0.168 4.182 4.350 0.000 0.000 0.195 8 E C 1.709 178.369 176.600 0.101 0.000 0.990 8 E CA 1.344 57.845 56.400 0.168 0.000 0.821 8 E CB -0.289 29.504 29.700 0.154 0.000 0.750 8 E HN 0.526 nan 8.360 nan 0.000 0.477 9 D N -0.527 119.924 120.400 0.085 0.000 2.117 9 D HA -0.151 4.489 4.640 0.000 0.000 0.197 9 D C 1.579 177.885 176.300 0.010 0.000 0.987 9 D CA 1.052 55.070 54.000 0.029 0.000 0.829 9 D CB -0.263 40.553 40.800 0.027 0.000 0.961 9 D HN 0.328 nan 8.370 nan 0.000 0.460 10 Y N 1.127 121.453 120.300 0.044 0.000 2.220 10 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 10 Y C 2.660 178.484 175.900 -0.126 0.000 1.129 10 Y CA 0.717 58.734 58.100 -0.138 0.000 1.161 10 Y CB -0.449 37.886 38.460 -0.209 0.000 0.997 10 Y HN -0.041 nan 8.280 nan 0.000 0.522 11 Q N 0.299 120.101 119.800 0.003 0.000 2.030 11 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 11 Q C 1.671 177.714 176.000 0.073 0.000 0.986 11 Q CA 1.832 57.627 55.803 -0.013 0.000 0.843 11 Q CB -0.174 28.560 28.738 -0.008 0.000 0.904 11 Q HN 0.469 nan 8.270 nan 0.000 0.420 12 D N -0.482 119.974 120.400 0.094 0.000 2.092 12 D HA -0.136 4.504 4.640 0.000 0.000 0.193 12 D C 1.922 178.325 176.300 0.172 0.000 0.994 12 D CA 1.733 55.809 54.000 0.128 0.000 0.828 12 D CB -0.495 40.371 40.800 0.110 0.000 0.963 12 D HN 0.227 nan 8.370 nan 0.000 0.450 13 T N 0.903 115.557 114.554 0.165 0.000 2.720 13 T HA -0.142 4.208 4.350 0.000 0.000 0.268 13 T C 2.022 176.859 174.700 0.229 0.000 1.037 13 T CA 1.659 63.883 62.100 0.207 0.000 1.144 13 T CB -0.345 68.686 68.868 0.272 0.000 0.864 13 T HN 0.220 nan 8.240 nan 0.000 0.444 14 A N 1.405 124.320 122.820 0.157 0.000 1.902 14 A HA -0.106 4.214 4.320 0.000 0.000 0.217 14 A C 2.275 179.961 177.584 0.171 0.000 1.181 14 A CA 1.596 53.726 52.037 0.155 0.000 0.623 14 A CB -0.412 18.648 19.000 0.100 0.000 0.818 14 A HN 0.244 nan 8.150 nan 0.000 0.443 15 K N -1.243 119.255 120.400 0.164 0.000 2.057 15 K HA -0.150 4.170 4.320 0.000 0.000 0.207 15 K C 1.491 178.207 176.600 0.193 0.000 1.049 15 K CA 1.301 57.678 56.287 0.149 0.000 0.931 15 K CB -0.562 32.020 32.500 0.137 0.000 0.714 15 K HN 0.715 nan 8.250 nan 0.000 0.440 16 W N 0.864 122.205 121.300 0.068 0.000 2.335 16 W HA -0.177 4.483 4.660 -0.000 0.000 0.311 16 W C 1.452 178.007 176.519 0.060 0.000 1.213 16 W CA 1.617 59.007 57.345 0.076 0.000 1.274 16 W CB -0.234 29.218 29.460 -0.013 0.000 1.148 16 W HN -0.002 nan 8.180 nan 0.000 0.498 17 L N -0.058 121.344 121.223 0.298 0.000 2.046 17 L HA -0.251 4.089 4.340 0.000 0.000 0.208 17 L C 2.478 179.316 176.870 -0.054 0.000 1.077 17 L CA 1.239 56.117 54.840 0.062 0.000 0.747 17 L CB -1.026 41.167 42.059 0.224 0.000 0.896 17 L HN 0.056 nan 8.230 nan 0.000 0.432 18 L N -0.443 120.793 121.223 0.022 0.000 2.131 18 L HA -0.159 4.181 4.340 0.000 0.000 0.210 18 L C 2.436 179.263 176.870 -0.072 0.000 1.092 18 L CA 1.383 56.212 54.840 -0.018 0.000 0.759 18 L CB -0.463 41.613 42.059 0.028 0.000 0.903 18 L HN 0.367 nan 8.230 nan 0.000 0.435 19 S N -2.823 112.826 115.700 -0.085 0.000 2.671 19 S HA 0.011 4.481 4.470 0.000 0.000 0.220 19 S C 1.191 175.545 174.600 -0.411 0.000 0.951 19 S CA -0.090 57.993 58.200 -0.195 0.000 0.932 19 S CB -0.310 62.784 63.200 -0.177 0.000 0.777 19 S HN 0.467 nan 8.310 nan 0.000 0.508 20 H N -0.242 118.633 119.070 -0.324 0.000 3.233 20 H HA 0.317 4.873 4.556 -0.000 0.000 0.263 20 H C -0.143 175.130 175.328 -0.092 0.000 1.168 20 H CA 0.157 56.035 56.048 -0.284 0.000 1.159 20 H CB 1.216 30.634 29.762 -0.573 0.000 1.593 20 H HN 0.416 nan 8.280 nan 0.000 0.580 21 T N 0.668 115.176 114.554 -0.076 0.000 2.894 21 T HA 0.083 4.433 4.350 0.000 0.000 0.309 21 T C 0.525 175.139 174.700 -0.144 0.000 1.208 21 T CA -0.600 61.422 62.100 -0.129 0.000 1.016 21 T CB 2.233 70.902 68.868 -0.331 0.000 1.192 21 T HN 0.283 nan 8.240 nan 0.000 0.491 22 E N 2.630 122.763 120.200 -0.112 0.000 2.474 22 E HA 0.083 4.433 4.350 0.000 0.000 0.194 22 E C -0.083 176.480 176.600 -0.061 0.000 1.041 22 E CA 0.081 56.435 56.400 -0.076 0.000 0.874 22 E CB 0.248 29.917 29.700 -0.053 0.000 0.914 22 E HN 0.681 nan 8.360 nan 0.000 0.498 23 Q N 1.407 121.154 119.800 -0.089 0.000 2.304 23 Q HA 0.253 4.593 4.340 0.000 0.000 0.260 23 Q C -0.234 175.777 176.000 0.019 0.000 0.965 23 Q CA 0.040 55.833 55.803 -0.017 0.000 0.898 23 Q CB 0.930 29.690 28.738 0.037 0.000 1.196 23 Q HN -0.002 nan 8.270 nan 0.000 0.402 24 R N 3.338 123.879 120.500 0.068 0.000 2.402 24 R HA 0.325 4.665 4.340 0.000 0.000 0.290 24 R C -2.383 173.982 176.300 0.109 0.000 1.321 24 R CA -1.687 54.467 56.100 0.090 0.000 1.283 24 R CB 0.656 30.987 30.300 0.052 0.000 1.111 24 R HN 0.554 nan 8.270 nan 0.000 0.578 25 P HA 0.053 nan 4.420 nan 0.000 0.271 25 P C -0.041 177.286 177.300 0.045 0.000 1.218 25 P CA -0.122 63.037 63.100 0.099 0.000 0.780 25 P CB 1.206 32.966 31.700 0.101 0.000 0.901 26 Q N 1.170 120.977 119.800 0.012 0.000 2.391 26 Q HA 0.171 4.511 4.340 0.000 0.000 0.243 26 Q C -0.243 175.739 176.000 -0.030 0.000 0.874 26 Q CA 0.418 56.223 55.803 0.003 0.000 0.950 26 Q CB 0.133 28.876 28.738 0.007 0.000 1.103 26 Q HN 0.172 nan 8.270 nan 0.000 0.544 27 V N 1.575 121.455 119.914 -0.056 0.000 2.513 27 V HA 0.837 4.957 4.120 0.000 0.000 0.299 27 V C -0.501 175.487 176.094 -0.177 0.000 1.035 27 V CA -0.538 61.711 62.300 -0.086 0.000 0.889 27 V CB 1.376 33.161 31.823 -0.063 0.000 0.988 27 V HN 0.345 nan 8.190 nan 0.000 0.440 28 A N 4.304 126.981 122.820 -0.238 0.000 2.343 28 A HA 0.878 5.198 4.320 0.000 0.000 0.316 28 A C -0.981 176.447 177.584 -0.260 0.000 1.104 28 A CA -0.532 51.230 52.037 -0.458 0.000 0.768 28 A CB 1.603 20.112 19.000 -0.818 0.000 1.213 28 A HN 0.668 nan 8.150 nan 0.000 0.456 29 V N 3.636 123.412 119.914 -0.230 0.000 2.540 29 V HA 0.442 4.562 4.120 0.000 0.000 0.302 29 V C -0.445 175.606 176.094 -0.072 0.000 1.035 29 V CA -0.262 61.977 62.300 -0.101 0.000 0.873 29 V CB 1.614 33.407 31.823 -0.052 0.000 0.992 29 V HN 0.768 nan 8.190 nan 0.000 0.428 30 I N 3.481 124.024 120.570 -0.044 0.000 2.354 30 I HA 0.409 4.579 4.170 0.000 0.000 0.292 30 I C -0.423 175.662 176.117 -0.052 0.000 0.989 30 I CA -0.227 61.058 61.300 -0.024 0.000 1.188 30 I CB 1.475 39.458 38.000 -0.029 0.000 1.342 30 I HN 0.524 nan 8.210 nan 0.000 0.457 31 C N 5.452 124.740 119.300 -0.020 0.000 2.285 31 C HA 0.620 5.080 4.460 0.000 0.000 0.335 31 C C 1.171 176.154 174.990 -0.013 0.000 1.267 31 C CA -0.547 58.453 59.018 -0.029 0.000 1.762 31 C CB 0.022 27.752 27.740 -0.016 0.000 2.365 31 C HN 0.958 nan 8.230 nan 0.000 0.527 32 G N 2.120 110.907 108.800 -0.022 0.000 2.510 32 G HA2 0.404 4.364 3.960 0.000 0.000 0.280 32 G HA3 0.404 4.364 3.960 0.000 0.000 0.280 32 G C -0.112 174.738 174.900 -0.083 0.000 1.386 32 G CA -0.281 44.862 45.100 0.073 0.000 1.047 32 G HN 0.733 nan 8.290 nan 0.000 0.527 33 S N -0.599 115.124 115.700 0.038 0.000 2.575 33 S HA 0.350 4.820 4.470 0.000 0.000 0.295 33 S C 1.472 176.040 174.600 -0.053 0.000 1.267 33 S CA 1.052 59.220 58.200 -0.053 0.000 1.074 33 S CB 0.373 63.741 63.200 0.280 0.000 0.829 33 S HN 1.919 nan 8.310 nan 0.000 0.497 34 G N 2.684 111.420 108.800 -0.107 0.000 2.180 34 G HA2 -0.260 3.700 3.960 0.000 0.000 0.263 34 G HA3 -0.260 3.700 3.960 0.000 0.000 0.263 34 G C 0.354 175.236 174.900 -0.030 0.000 0.989 34 G CA 0.530 45.595 45.100 -0.059 0.000 0.692 34 G HN 0.669 nan 8.290 nan 0.000 0.526 35 L N 0.235 121.432 121.223 -0.042 0.000 2.769 35 L HA 0.365 4.705 4.340 0.000 0.000 0.240 35 L C 2.491 179.356 176.870 -0.009 0.000 1.163 35 L CA 0.471 55.311 54.840 0.000 0.000 0.962 35 L CB 0.328 42.394 42.059 0.011 0.000 1.258 35 L HN 0.185 nan 8.230 nan 0.000 0.513 36 G N 0.183 108.960 108.800 -0.038 0.000 2.527 36 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 36 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 36 G C 1.475 176.372 174.900 -0.004 0.000 1.117 36 G CA 0.704 45.787 45.100 -0.028 0.000 0.759 36 G HN 0.487 nan 8.290 nan 0.000 0.556 37 G N 0.503 109.307 108.800 0.007 0.000 2.744 37 G HA2 0.018 3.978 3.960 0.000 0.000 0.211 37 G HA3 0.018 3.978 3.960 0.000 0.000 0.211 37 G C 1.589 176.504 174.900 0.026 0.000 1.143 37 G CA 0.041 45.150 45.100 0.015 0.000 0.788 37 G HN 0.446 nan 8.290 nan 0.000 0.534 38 L N 0.216 121.460 121.223 0.035 0.000 2.187 38 L HA -0.091 4.249 4.340 0.000 0.000 0.213 38 L C 2.816 179.702 176.870 0.028 0.000 1.100 38 L CA 0.213 55.081 54.840 0.046 0.000 0.765 38 L CB -0.292 41.804 42.059 0.061 0.000 0.904 38 L HN 0.091 nan 8.230 nan 0.000 0.437 39 V N 0.902 120.826 119.914 0.017 0.000 2.343 39 V HA -0.260 3.860 4.120 0.000 0.000 0.247 39 V C 1.732 177.833 176.094 0.012 0.000 1.051 39 V CA 1.941 64.247 62.300 0.011 0.000 1.036 39 V CB -0.714 31.112 31.823 0.005 0.000 0.654 39 V HN 0.736 nan 8.190 nan 0.000 0.451 40 N N 0.096 118.803 118.700 0.012 0.000 2.581 40 N HA -0.061 4.679 4.740 0.000 0.000 0.230 40 N C 0.790 176.307 175.510 0.011 0.000 1.310 40 N CA 0.266 53.322 53.050 0.010 0.000 0.886 40 N CB 0.142 38.633 38.487 0.008 0.000 1.205 40 N HN 0.385 nan 8.380 nan 0.000 0.488 41 K N 0.246 120.654 120.400 0.013 0.000 2.464 41 K HA 0.274 4.594 4.320 0.000 0.000 0.206 41 K C 0.673 177.279 176.600 0.010 0.000 1.186 41 K CA -0.151 56.142 56.287 0.011 0.000 0.990 41 K CB 0.854 33.363 32.500 0.014 0.000 1.003 41 K HN 0.206 nan 8.250 nan 0.000 0.562 42 L N 2.775 124.005 121.223 0.012 0.000 2.456 42 L HA 0.078 4.418 4.340 0.000 0.000 0.272 42 L C 0.705 177.585 176.870 0.016 0.000 1.189 42 L CA 0.165 55.015 54.840 0.016 0.000 0.846 42 L CB 0.421 42.493 42.059 0.022 0.000 1.111 42 L HN 0.102 nan 8.230 nan 0.000 0.475 43 T N -1.025 113.539 114.554 0.018 0.000 2.918 43 T HA 0.347 4.697 4.350 0.000 0.000 0.286 43 T C -0.048 174.665 174.700 0.022 0.000 1.026 43 T CA -0.793 61.316 62.100 0.015 0.000 1.031 43 T CB 1.668 70.542 68.868 0.010 0.000 1.046 43 T HN 0.667 nan 8.240 nan 0.000 0.479 44 Q N -0.909 118.901 119.800 0.016 0.000 2.481 44 Q HA -0.195 4.145 4.340 0.000 0.000 0.272 44 Q C 0.315 176.333 176.000 0.030 0.000 1.157 44 Q CA 0.419 56.233 55.803 0.017 0.000 0.935 44 Q CB -2.300 26.449 28.738 0.018 0.000 1.338 44 Q HN 1.082 nan 8.270 nan 0.000 0.494 45 A N 1.052 123.891 122.820 0.031 0.000 2.462 45 A HA 0.309 4.629 4.320 0.000 0.000 0.243 45 A C 0.192 177.792 177.584 0.027 0.000 1.076 45 A CA 0.343 52.408 52.037 0.048 0.000 0.773 45 A CB 0.647 19.667 19.000 0.033 0.000 1.010 45 A HN 0.348 nan 8.150 nan 0.000 0.493 46 Q N 1.230 121.067 119.800 0.062 0.000 2.292 46 Q HA 0.461 4.801 4.340 0.000 0.000 0.270 46 Q C -1.232 174.758 176.000 -0.017 0.000 1.024 46 Q CA -0.392 55.387 55.803 -0.041 0.000 0.768 46 Q CB 1.631 30.321 28.738 -0.079 0.000 1.250 46 Q HN 0.726 nan 8.270 nan 0.000 0.447 47 T N 3.464 117.928 114.554 -0.150 0.000 2.859 47 T HA 0.587 4.938 4.350 0.000 0.000 0.281 47 T C -1.041 173.518 174.700 -0.235 0.000 1.005 47 T CA -0.198 61.854 62.100 -0.080 0.000 1.025 47 T CB 0.434 69.275 68.868 -0.046 0.000 0.977 47 T HN 0.333 nan 8.240 nan 0.000 0.458 48 F N 1.184 121.217 119.950 0.138 0.000 2.518 48 F HA 0.358 4.885 4.527 0.000 0.000 0.323 48 F C 0.302 176.126 175.800 0.041 0.000 1.129 48 F CA -1.198 56.887 58.000 0.142 0.000 0.920 48 F CB 1.504 40.652 39.000 0.246 0.000 1.160 48 F HN 0.481 nan 8.300 nan 0.000 0.440 49 D N 1.778 122.294 120.400 0.193 0.000 2.350 49 D HA 0.089 4.729 4.640 0.000 0.000 0.249 49 D C 0.669 177.035 176.300 0.110 0.000 1.119 49 D CA 0.140 54.169 54.000 0.049 0.000 0.886 49 D CB 0.684 41.510 40.800 0.042 0.000 1.195 49 D HN 0.367 nan 8.370 nan 0.000 0.437 50 Y N 0.990 121.303 120.300 0.023 0.000 2.193 50 Y HA -0.225 4.325 4.550 0.000 0.000 0.285 50 Y C 2.565 178.468 175.900 0.004 0.000 1.166 50 Y CA 1.034 59.118 58.100 -0.026 0.000 1.181 50 Y CB -1.281 37.337 38.460 0.264 0.000 0.976 50 Y HN 0.387 nan 8.280 nan 0.000 0.520 51 S N 0.120 115.928 115.700 0.179 0.000 2.469 51 S HA -0.195 4.275 4.470 0.000 0.000 0.238 51 S C 1.472 176.080 174.600 0.014 0.000 0.998 51 S CA 1.208 59.463 58.200 0.091 0.000 0.957 51 S CB -0.568 62.679 63.200 0.079 0.000 0.764 51 S HN 0.793 nan 8.310 nan 0.000 0.514 52 E N 0.625 120.823 120.200 -0.004 0.000 2.452 52 E HA 0.217 4.567 4.350 0.000 0.000 0.197 52 E C 0.094 176.435 176.600 -0.431 0.000 1.022 52 E CA -0.266 56.091 56.400 -0.072 0.000 0.890 52 E CB -0.125 29.641 29.700 0.111 0.000 0.918 52 E HN 0.551 nan 8.360 nan 0.000 0.496 53 I N 2.917 123.204 120.570 -0.472 0.000 2.312 53 I HA 0.172 4.342 4.170 0.000 0.000 0.291 53 I C -1.781 174.043 176.117 -0.490 0.000 1.031 53 I CA -2.441 58.353 61.300 -0.844 0.000 1.293 53 I CB 1.017 38.680 38.000 -0.562 0.000 1.403 53 I HN -0.145 nan 8.210 nan 0.000 0.484 54 P HA -0.293 nan 4.420 nan 0.000 0.240 54 P C 0.243 177.443 177.300 -0.167 0.000 0.765 54 P CA 1.825 64.720 63.100 -0.341 0.000 1.100 54 P CB -0.017 31.495 31.700 -0.314 0.000 0.753 55 N N -2.342 116.284 118.700 -0.122 0.000 2.413 55 N HA 0.129 4.869 4.740 0.000 0.000 0.207 55 N C -0.239 174.906 175.510 -0.609 0.000 1.206 55 N CA -0.192 52.660 53.050 -0.330 0.000 0.832 55 N CB -0.674 37.554 38.487 -0.431 0.000 1.037 55 N HN 0.099 nan 8.380 nan 0.000 0.467 56 F N 1.339 121.068 119.950 -0.367 0.000 2.456 56 F HA 0.274 4.801 4.527 0.000 0.000 0.358 56 F C -1.561 174.011 175.800 -0.380 0.000 1.095 56 F CA -1.990 55.825 58.000 -0.309 0.000 1.216 56 F CB 0.672 39.608 39.000 -0.106 0.000 1.125 56 F HN 0.026 nan 8.300 nan 0.000 0.549 57 P HA 0.215 nan 4.420 nan 0.000 0.289 57 P C -1.201 175.845 177.300 -0.424 0.000 1.299 57 P CA -0.425 62.181 63.100 -0.823 0.000 0.766 57 P CB 0.615 31.215 31.700 -1.833 0.000 1.226 58 E N -0.647 119.421 120.200 -0.221 0.000 2.272 58 E HA 0.296 4.646 4.350 0.000 0.000 0.269 58 E C -0.960 175.948 176.600 0.513 0.000 0.877 58 E CA -0.445 56.151 56.400 0.327 0.000 0.755 58 E CB 1.746 31.601 29.700 0.259 0.000 1.192 58 E HN 0.179 nan 8.360 nan 0.000 0.422 59 S N 1.073 117.193 115.700 0.699 0.000 2.516 59 S HA 0.088 4.558 4.470 0.000 0.000 0.282 59 S C 1.088 175.893 174.600 0.342 0.000 1.286 59 S CA 0.128 58.646 58.200 0.531 0.000 1.066 59 S CB 0.335 63.800 63.200 0.441 0.000 0.884 59 S HN 0.591 nan 8.310 nan 0.000 0.491 60 T N -0.710 114.016 114.554 0.288 0.000 3.040 60 T HA 0.242 4.592 4.350 0.000 0.000 0.266 60 T C 0.212 175.015 174.700 0.171 0.000 1.005 60 T CA -0.206 62.008 62.100 0.191 0.000 0.906 60 T CB -0.023 68.924 68.868 0.132 0.000 1.082 60 T HN 0.277 nan 8.240 nan 0.000 0.531 61 V N 3.465 123.502 119.914 0.205 0.000 2.439 61 V HA 0.421 4.541 4.120 0.000 0.000 0.282 61 V C -2.416 173.881 176.094 0.337 0.000 1.039 61 V CA -2.257 60.178 62.300 0.225 0.000 0.913 61 V CB 1.341 33.265 31.823 0.169 0.000 0.983 61 V HN 0.196 nan 8.190 nan 0.000 0.460 62 P HA 0.316 nan 4.420 nan 0.000 0.267 62 P C 0.861 178.379 177.300 0.363 0.000 1.205 62 P CA 1.062 64.335 63.100 0.288 0.000 0.765 62 P CB 0.789 32.653 31.700 0.273 0.000 0.828 63 G N 2.097 111.015 108.800 0.196 0.000 2.218 63 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 63 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 63 G C -0.192 174.633 174.900 -0.126 0.000 0.994 63 G CA -0.380 44.745 45.100 0.042 0.000 0.637 63 G HN 0.634 nan 8.290 nan 0.000 0.505 64 H N 0.252 119.408 119.070 0.145 0.000 2.725 64 H HA 0.685 5.241 4.556 0.000 0.000 0.283 64 H C 1.191 176.570 175.328 0.086 0.000 1.110 64 H CA 0.358 56.483 56.048 0.128 0.000 1.289 64 H CB 1.417 31.292 29.762 0.189 0.000 1.400 64 H HN 0.314 nan 8.280 nan 0.000 0.493 65 A N 3.102 125.973 122.820 0.086 0.000 1.940 65 A HA 0.094 4.414 4.320 0.000 0.000 0.219 65 A C 1.910 179.463 177.584 -0.051 0.000 1.176 65 A CA 1.161 53.209 52.037 0.017 0.000 0.631 65 A CB -0.673 18.311 19.000 -0.027 0.000 0.814 65 A HN 1.070 nan 8.150 nan 0.000 0.446 66 G N -1.124 107.585 108.800 -0.152 0.000 2.325 66 G HA2 -0.172 3.788 3.960 0.000 0.000 0.248 66 G HA3 -0.172 3.788 3.960 0.000 0.000 0.248 66 G C -0.143 174.053 174.900 -1.173 0.000 1.108 66 G CA 0.149 44.920 45.100 -0.548 0.000 0.881 66 G HN 0.723 nan 8.290 nan 0.000 0.494 67 R N -0.764 119.157 120.500 -0.964 0.000 2.673 67 R HA 0.618 4.958 4.340 0.000 0.000 0.281 67 R C -0.574 175.642 176.300 -0.140 0.000 0.991 67 R CA -1.013 54.764 56.100 -0.537 0.000 0.896 67 R CB 2.028 32.213 30.300 -0.191 0.000 1.201 67 R HN 0.158 nan 8.270 nan 0.000 0.457 68 L N 3.290 124.605 121.223 0.154 0.000 2.264 68 L HA 0.469 4.809 4.340 0.000 0.000 0.289 68 L C -0.909 176.072 176.870 0.184 0.000 1.044 68 L CA -0.803 54.193 54.840 0.261 0.000 0.807 68 L CB 1.694 43.915 42.059 0.270 0.000 1.192 68 L HN 0.376 nan 8.230 nan 0.000 0.425 69 V N 4.679 124.620 119.914 0.046 0.000 2.444 69 V HA 0.389 4.509 4.120 0.000 0.000 0.294 69 V C -0.382 175.706 176.094 -0.011 0.000 1.022 69 V CA -0.612 61.731 62.300 0.072 0.000 0.850 69 V CB 1.558 33.403 31.823 0.038 0.000 0.992 69 V HN 0.402 nan 8.190 nan 0.000 0.426 70 F N 2.589 122.602 119.950 0.106 0.000 2.399 70 F HA 0.883 5.410 4.527 -0.000 0.000 0.334 70 F C 0.942 176.766 175.800 0.040 0.000 1.097 70 F CA 0.167 58.216 58.000 0.083 0.000 1.076 70 F CB 2.034 41.110 39.000 0.128 0.000 1.162 70 F HN 0.710 nan 8.300 nan 0.000 0.495 71 G N 2.121 111.038 108.800 0.194 0.000 2.495 71 G HA2 0.480 4.440 3.960 0.000 0.000 0.294 71 G HA3 0.480 4.440 3.960 0.000 0.000 0.294 71 G C -2.181 172.763 174.900 0.073 0.000 1.397 71 G CA -0.841 44.325 45.100 0.109 0.000 0.790 71 G HN 0.303 nan 8.290 nan 0.000 0.486 72 I N 1.048 121.646 120.570 0.046 0.000 2.330 72 I HA 0.403 4.573 4.170 0.000 0.000 0.289 72 I C -0.837 175.288 176.117 0.015 0.000 1.001 72 I CA -0.634 60.684 61.300 0.029 0.000 1.193 72 I CB 1.068 39.082 38.000 0.023 0.000 1.345 72 I HN 0.315 nan 8.210 nan 0.000 0.461 73 L N 8.089 129.316 121.223 0.005 0.000 2.294 73 L HA 0.436 4.776 4.340 0.000 0.000 0.283 73 L C 0.520 177.383 176.870 -0.011 0.000 1.015 73 L CA 0.045 54.883 54.840 -0.003 0.000 0.831 73 L CB 0.400 42.454 42.059 -0.008 0.000 1.217 73 L HN 0.648 nan 8.230 nan 0.000 0.420 74 N N 4.228 122.922 118.700 -0.011 0.000 2.714 74 N HA -0.209 4.531 4.740 0.000 0.000 0.252 74 N C 0.958 176.458 175.510 -0.016 0.000 1.014 74 N CA 1.626 54.666 53.050 -0.016 0.000 0.735 74 N CB -0.933 37.538 38.487 -0.026 0.000 0.924 74 N HN 1.252 nan 8.380 nan 0.000 0.540 75 G N -1.474 107.320 108.800 -0.009 0.000 2.268 75 G HA2 -0.320 3.640 3.960 0.000 0.000 0.240 75 G HA3 -0.320 3.640 3.960 0.000 0.000 0.240 75 G C -0.026 174.872 174.900 -0.005 0.000 1.010 75 G CA 0.458 45.553 45.100 -0.007 0.000 0.618 75 G HN 0.520 nan 8.290 nan 0.000 0.516 76 R N 1.033 121.527 120.500 -0.009 0.000 2.312 76 R HA 0.737 5.077 4.340 0.000 0.000 0.311 76 R C 0.403 176.705 176.300 0.003 0.000 1.004 76 R CA 0.003 56.099 56.100 -0.007 0.000 0.902 76 R CB 1.087 31.375 30.300 -0.020 0.000 1.073 76 R HN 0.733 nan 8.270 nan 0.000 0.457 77 A N 2.576 125.405 122.820 0.015 0.000 2.404 77 A HA 0.438 4.758 4.320 0.000 0.000 0.273 77 A C 0.459 178.059 177.584 0.026 0.000 1.144 77 A CA -0.459 51.600 52.037 0.036 0.000 0.806 77 A CB -0.188 18.844 19.000 0.053 0.000 1.080 77 A HN 0.938 nan 8.150 nan 0.000 0.509 78 C N 1.020 120.333 119.300 0.022 0.000 3.236 78 C HA 0.872 5.332 4.460 0.000 0.000 0.312 78 C C -0.524 174.415 174.990 -0.084 0.000 1.374 78 C CA -0.712 58.282 59.018 -0.040 0.000 1.455 78 C CB 0.939 28.638 27.740 -0.068 0.000 1.834 78 C HN 1.226 nan 8.230 nan 0.000 0.460 79 V N 2.149 121.907 119.914 -0.259 0.000 2.656 79 V HA 0.753 4.873 4.120 0.000 0.000 0.307 79 V C -0.763 175.091 176.094 -0.400 0.000 1.051 79 V CA -0.506 61.496 62.300 -0.497 0.000 0.893 79 V CB 1.871 33.179 31.823 -0.857 0.000 0.999 79 V HN 1.012 nan 8.190 nan 0.000 0.426 80 M N 6.668 126.103 119.600 -0.275 0.000 2.464 80 M HA 0.556 5.036 4.480 0.000 0.000 0.308 80 M C -0.843 175.455 176.300 -0.003 0.000 1.127 80 M CA -0.468 54.754 55.300 -0.129 0.000 0.913 80 M CB 2.445 35.007 32.600 -0.064 0.000 1.689 80 M HN 0.472 nan 8.290 nan 0.000 0.445 81 M N 2.562 122.210 119.600 0.079 0.000 2.111 81 M HA 0.207 4.687 4.480 0.000 0.000 0.351 81 M C -0.105 176.288 176.300 0.154 0.000 1.214 81 M CA -0.086 55.352 55.300 0.230 0.000 1.120 81 M CB 0.729 33.461 32.600 0.219 0.000 1.443 81 M HN 0.587 nan 8.290 nan 0.000 0.429 82 Q N 3.322 123.200 119.800 0.129 0.000 2.664 82 Q HA 0.389 4.729 4.340 0.000 0.000 0.223 82 Q C -0.250 175.796 176.000 0.077 0.000 1.298 82 Q CA -0.099 55.733 55.803 0.047 0.000 0.965 82 Q CB 0.212 28.946 28.738 -0.008 0.000 1.510 82 Q HN 0.939 nan 8.270 nan 0.000 0.567 83 G N 2.468 111.348 108.800 0.134 0.000 3.055 83 G HA2 -0.135 3.825 3.960 0.000 0.000 0.685 83 G HA3 -0.135 3.825 3.960 0.000 0.000 0.685 83 G C -0.938 174.078 174.900 0.194 0.000 1.212 83 G CA -0.535 44.743 45.100 0.296 0.000 0.822 83 G HN 0.679 nan 8.290 nan 0.000 0.610 84 R N 0.023 120.601 120.500 0.130 0.000 3.055 84 R HA 0.943 5.283 4.340 0.000 0.000 0.231 84 R C -0.722 175.148 176.300 -0.718 0.000 1.443 84 R CA -1.043 54.745 56.100 -0.519 0.000 1.063 84 R CB 0.840 30.906 30.300 -0.389 0.000 1.514 84 R HN 0.433 nan 8.270 nan 0.000 0.510 85 F N -0.960 118.790 119.950 -0.333 0.000 2.507 85 F HA 0.513 5.040 4.527 -0.000 0.000 0.327 85 F C -0.212 175.280 175.800 -0.513 0.000 1.068 85 F CA -0.906 56.897 58.000 -0.328 0.000 0.965 85 F CB 1.551 40.295 39.000 -0.427 0.000 1.192 85 F HN 0.475 nan 8.300 nan 0.000 0.476 86 H N 0.614 119.647 119.070 -0.061 0.000 2.865 86 H HA 0.356 4.912 4.556 0.000 0.000 0.372 86 H C 0.764 175.966 175.328 -0.209 0.000 1.173 86 H CA -0.915 54.960 56.048 -0.290 0.000 1.147 86 H CB 2.020 31.197 29.762 -0.974 0.000 1.805 86 H HN 0.734 nan 8.280 nan 0.000 0.553 87 M N 1.247 120.842 119.600 -0.008 0.000 2.229 87 M HA -0.135 4.345 4.480 0.000 0.000 0.264 87 M C 0.996 177.234 176.300 -0.104 0.000 1.063 87 M CA 1.646 56.896 55.300 -0.083 0.000 1.114 87 M CB -0.016 32.508 32.600 -0.127 0.000 1.387 87 M HN 0.837 nan 8.290 nan 0.000 0.420 88 Y N -0.264 120.048 120.300 0.019 0.000 2.680 88 Y HA 0.051 4.601 4.550 0.000 0.000 0.303 88 Y C 1.239 177.082 175.900 -0.095 0.000 1.166 88 Y CA 0.719 58.782 58.100 -0.062 0.000 1.344 88 Y CB -1.390 37.015 38.460 -0.092 0.000 1.002 88 Y HN 0.381 nan 8.280 nan 0.000 0.537 89 E N 0.181 120.290 120.200 -0.151 0.000 2.442 89 E HA 0.216 4.566 4.350 0.000 0.000 0.195 89 E C 1.547 177.936 176.600 -0.351 0.000 1.030 89 E CA 0.495 56.792 56.400 -0.172 0.000 0.869 89 E CB 0.040 29.640 29.700 -0.166 0.000 0.857 89 E HN 0.696 nan 8.360 nan 0.000 0.505 90 G N 0.499 109.110 108.800 -0.316 0.000 2.192 90 G HA2 -0.220 3.740 3.960 0.000 0.000 0.193 90 G HA3 -0.220 3.740 3.960 0.000 0.000 0.193 90 G C -0.424 174.231 174.900 -0.408 0.000 0.999 90 G CA -0.562 44.330 45.100 -0.346 0.000 0.659 90 G HN 0.116 nan 8.290 nan 0.000 0.503 91 Y N 1.380 121.530 120.300 -0.250 0.000 2.335 91 Y HA 0.510 5.060 4.550 -0.000 0.000 0.331 91 Y C -1.776 173.877 175.900 -0.412 0.000 1.094 91 Y CA -2.340 55.556 58.100 -0.341 0.000 1.253 91 Y CB 0.906 39.185 38.460 -0.302 0.000 1.203 91 Y HN -0.002 nan 8.280 nan 0.000 0.508 92 P HA 0.082 nan 4.420 nan 0.000 0.274 92 P C 0.316 177.379 177.300 -0.395 0.000 1.231 92 P CA -0.248 62.544 63.100 -0.513 0.000 0.790 92 P CB 0.623 31.822 31.700 -0.835 0.000 0.951 93 F N 0.727 120.586 119.950 -0.151 0.000 2.202 93 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 93 F C 2.056 177.852 175.800 -0.008 0.000 1.082 93 F CA 0.878 58.843 58.000 -0.059 0.000 1.313 93 F CB -1.267 37.744 39.000 0.019 0.000 1.024 93 F HN 0.547 nan 8.300 nan 0.000 0.495 94 W N 0.208 121.630 121.300 0.203 0.000 2.525 94 W HA -0.017 4.643 4.660 0.000 0.000 0.259 94 W C 1.553 178.210 176.519 0.230 0.000 1.253 94 W CA 0.615 58.072 57.345 0.187 0.000 1.262 94 W CB -0.999 28.562 29.460 0.167 0.000 1.122 94 W HN 0.098 nan 8.180 nan 0.000 0.607 95 K N 0.845 121.086 120.400 -0.264 0.000 2.168 95 K HA -0.019 4.301 4.320 0.000 0.000 0.201 95 K C 2.157 178.601 176.600 -0.260 0.000 1.049 95 K CA 0.800 56.903 56.287 -0.307 0.000 0.974 95 K CB -0.073 32.001 32.500 -0.710 0.000 0.792 95 K HN -0.096 nan 8.250 nan 0.000 0.463 96 V N 1.647 121.460 119.914 -0.169 0.000 2.392 96 V HA -0.237 3.883 4.120 0.000 0.000 0.249 96 V C 2.147 178.260 176.094 0.031 0.000 1.059 96 V CA 2.404 64.692 62.300 -0.020 0.000 1.051 96 V CB -0.692 31.202 31.823 0.119 0.000 0.658 96 V HN 0.543 nan 8.190 nan 0.000 0.455 97 T N -3.401 111.162 114.554 0.015 0.000 3.086 97 T HA 0.038 4.388 4.350 0.000 0.000 0.250 97 T C 1.481 176.113 174.700 -0.114 0.000 1.074 97 T CA 0.069 62.135 62.100 -0.057 0.000 0.988 97 T CB -0.393 68.441 68.868 -0.056 0.000 0.988 97 T HN 0.329 nan 8.240 nan 0.000 0.530 98 F N 4.431 124.227 119.950 -0.258 0.000 2.087 98 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 98 F C -0.847 174.647 175.800 -0.509 0.000 1.100 98 F CA 1.291 59.049 58.000 -0.403 0.000 1.226 98 F CB -1.079 37.492 39.000 -0.715 0.000 0.983 98 F HN 0.151 nan 8.300 nan 0.000 0.479 99 P HA -0.125 nan 4.420 nan 0.000 0.222 99 P C 1.934 178.458 177.300 -1.293 0.000 1.147 99 P CA 1.596 64.049 63.100 -1.078 0.000 0.790 99 P CB -0.230 30.989 31.700 -0.801 0.000 0.780 100 V N 0.647 120.110 119.914 -0.753 0.000 2.427 100 V HA -0.149 3.971 4.120 0.000 0.000 0.248 100 V C 2.746 178.555 176.094 -0.475 0.000 1.051 100 V CA 1.689 63.702 62.300 -0.478 0.000 1.048 100 V CB -1.107 30.565 31.823 -0.251 0.000 0.666 100 V HN 0.081 nan 8.190 nan 0.000 0.456 101 R N -0.556 119.558 120.500 -0.643 0.000 2.153 101 R HA -0.028 4.312 4.340 0.000 0.000 0.218 101 R C 2.179 178.149 176.300 -0.551 0.000 1.072 101 R CA 0.800 56.419 56.100 -0.803 0.000 0.990 101 R CB -0.241 29.162 30.300 -1.494 0.000 0.889 101 R HN 0.399 nan 8.270 nan 0.000 0.452 102 V N 0.522 120.079 119.914 -0.595 0.000 2.358 102 V HA -0.216 3.904 4.120 0.000 0.000 0.246 102 V C 1.879 177.923 176.094 -0.084 0.000 1.047 102 V CA 1.571 63.648 62.300 -0.372 0.000 1.035 102 V CB -0.484 31.036 31.823 -0.506 0.000 0.658 102 V HN 0.123 nan 8.190 nan 0.000 0.452 103 F N 0.845 120.725 119.950 -0.116 0.000 2.095 103 F HA -0.164 4.363 4.527 0.000 0.000 0.298 103 F C 2.575 178.358 175.800 -0.027 0.000 1.104 103 F CA 1.795 59.767 58.000 -0.048 0.000 1.232 103 F CB -1.156 37.804 39.000 -0.066 0.000 0.987 103 F HN 0.101 nan 8.300 nan 0.000 0.475 104 R N 0.983 121.558 120.500 0.125 0.000 2.096 104 R HA -0.147 4.193 4.340 0.000 0.000 0.240 104 R C 2.027 178.396 176.300 0.114 0.000 1.139 104 R CA 1.526 57.682 56.100 0.094 0.000 0.952 104 R CB -1.077 29.249 30.300 0.044 0.000 0.854 104 R HN 0.363 nan 8.270 nan 0.000 0.436 105 L N 0.100 121.384 121.223 0.102 0.000 2.376 105 L HA -0.042 4.298 4.340 0.000 0.000 0.219 105 L C 1.842 178.774 176.870 0.104 0.000 1.133 105 L CA 0.525 55.425 54.840 0.100 0.000 0.816 105 L CB -0.185 41.910 42.059 0.060 0.000 0.933 105 L HN 0.239 nan 8.230 nan 0.000 0.449 106 L N -0.808 120.496 121.223 0.135 0.000 2.418 106 L HA 0.103 4.443 4.340 0.000 0.000 0.218 106 L C 1.496 178.439 176.870 0.121 0.000 1.125 106 L CA 0.782 55.713 54.840 0.153 0.000 0.835 106 L CB -0.151 42.046 42.059 0.230 0.000 0.953 106 L HN 0.475 nan 8.230 nan 0.000 0.454 107 G N -0.461 108.403 108.800 0.107 0.000 2.184 107 G HA2 -0.213 3.747 3.960 0.000 0.000 0.206 107 G HA3 -0.213 3.747 3.960 0.000 0.000 0.206 107 G C 0.212 175.154 174.900 0.070 0.000 0.995 107 G CA -0.179 44.969 45.100 0.081 0.000 0.651 107 G HN 0.018 nan 8.290 nan 0.000 0.511 108 V N 0.762 120.724 119.914 0.080 0.000 2.673 108 V HA 0.237 4.357 4.120 0.000 0.000 0.303 108 V C 1.373 177.492 176.094 0.042 0.000 1.046 108 V CA 1.469 63.796 62.300 0.045 0.000 1.126 108 V CB 1.351 33.191 31.823 0.029 0.000 0.934 108 V HN 0.517 nan 8.190 nan 0.000 0.487 109 E N 1.244 121.457 120.200 0.022 0.000 2.364 109 E HA 0.123 4.473 4.350 0.000 0.000 0.203 109 E C 0.074 176.684 176.600 0.017 0.000 0.888 109 E CA 0.292 56.706 56.400 0.023 0.000 0.989 109 E CB 0.760 30.472 29.700 0.020 0.000 0.985 109 E HN 0.757 nan 8.360 nan 0.000 0.499 110 T N 1.120 115.677 114.554 0.004 0.000 2.863 110 T HA 0.544 4.894 4.350 0.000 0.000 0.285 110 T C -1.205 173.495 174.700 -0.002 0.000 1.009 110 T CA -0.617 61.489 62.100 0.009 0.000 0.989 110 T CB 2.124 70.994 68.868 0.004 0.000 1.004 110 T HN -0.079 nan 8.240 nan 0.000 0.455 111 L N 3.590 124.830 121.223 0.027 0.000 2.381 111 L HA 0.802 5.142 4.340 0.000 0.000 0.274 111 L C -0.890 176.025 176.870 0.074 0.000 0.988 111 L CA -0.825 54.029 54.840 0.023 0.000 0.824 111 L CB 1.661 43.745 42.059 0.040 0.000 1.263 111 L HN 0.559 nan 8.230 nan 0.000 0.410 112 V N 5.531 125.488 119.914 0.072 0.000 2.409 112 V HA 0.811 4.931 4.120 0.000 0.000 0.291 112 V C -0.740 175.355 176.094 0.002 0.000 1.020 112 V CA -0.379 62.013 62.300 0.153 0.000 0.848 112 V CB 1.666 33.679 31.823 0.317 0.000 0.990 112 V HN 0.706 nan 8.190 nan 0.000 0.430 113 V N 3.308 123.173 119.914 -0.083 0.000 2.547 113 V HA 0.978 5.098 4.120 0.000 0.000 0.299 113 V C 0.265 176.112 176.094 -0.412 0.000 1.040 113 V CA 0.383 62.571 62.300 -0.187 0.000 0.913 113 V CB 1.048 32.787 31.823 -0.141 0.000 0.992 113 V HN 1.261 nan 8.190 nan 0.000 0.449 114 T N 1.091 115.396 114.554 -0.416 0.000 2.887 114 T HA 0.883 5.233 4.350 0.000 0.000 0.292 114 T C -0.757 173.755 174.700 -0.312 0.000 1.087 114 T CA -0.379 61.364 62.100 -0.594 0.000 1.009 114 T CB 2.150 70.645 68.868 -0.621 0.000 1.203 114 T HN 1.579 nan 8.240 nan 0.000 0.518 115 N N -0.889 117.668 118.700 -0.239 0.000 3.533 115 N HA 0.541 5.281 4.740 0.000 0.000 0.229 115 N C -1.783 173.740 175.510 0.022 0.000 1.418 115 N CA -0.788 52.227 53.050 -0.059 0.000 0.880 115 N CB 0.917 39.358 38.487 -0.078 0.000 1.415 115 N HN 1.058 nan 8.380 nan 0.000 0.491 116 A N -0.396 122.500 122.820 0.126 0.000 2.317 116 A HA 0.950 5.270 4.320 0.000 0.000 0.327 116 A C -0.481 177.231 177.584 0.214 0.000 1.178 116 A CA -0.054 52.073 52.037 0.150 0.000 0.817 116 A CB 0.418 19.515 19.000 0.162 0.000 1.189 116 A HN 1.230 nan 8.150 nan 0.000 0.489 117 A N 1.359 124.300 122.820 0.201 0.000 2.515 117 A HA 0.826 5.146 4.320 0.000 0.000 0.296 117 A C 0.166 177.855 177.584 0.175 0.000 1.094 117 A CA -0.108 52.075 52.037 0.243 0.000 0.718 117 A CB 1.261 20.467 19.000 0.343 0.000 1.307 117 A HN 1.811 nan 8.150 nan 0.000 0.408 118 G N -0.028 108.864 108.800 0.154 0.000 2.390 118 G HA2 0.511 4.471 3.960 0.000 0.000 0.270 118 G HA3 0.511 4.471 3.960 0.000 0.000 0.270 118 G C 0.365 175.335 174.900 0.115 0.000 1.211 118 G CA 0.235 45.396 45.100 0.102 0.000 0.842 118 G HN 1.227 nan 8.290 nan 0.000 0.519 119 G N 0.661 109.534 108.800 0.122 0.000 2.355 119 G HA2 0.413 4.373 3.960 0.000 0.000 0.276 119 G HA3 0.413 4.373 3.960 0.000 0.000 0.276 119 G C 0.734 175.667 174.900 0.056 0.000 1.198 119 G CA -0.523 44.682 45.100 0.176 0.000 0.876 119 G HN 0.532 nan 8.290 nan 0.000 0.478 120 L N 2.102 123.319 121.223 -0.009 0.000 2.388 120 L HA 0.172 4.512 4.340 0.000 0.000 0.209 120 L C 1.270 178.033 176.870 -0.178 0.000 1.061 120 L CA -0.277 54.517 54.840 -0.076 0.000 0.834 120 L CB -0.082 41.935 42.059 -0.071 0.000 1.029 120 L HN 0.425 nan 8.230 nan 0.000 0.473 121 N N 2.330 120.797 118.700 -0.389 0.000 2.452 121 N HA 0.003 4.743 4.740 0.000 0.000 0.266 121 N C -1.657 173.613 175.510 -0.401 0.000 1.209 121 N CA -1.229 51.462 53.050 -0.599 0.000 0.929 121 N CB 1.356 38.995 38.487 -1.413 0.000 1.063 121 N HN -0.017 nan 8.380 nan 0.000 0.472 122 P HA -0.111 nan 4.420 nan 0.000 0.221 122 P C 0.202 177.473 177.300 -0.048 0.000 1.145 122 P CA 1.076 64.116 63.100 -0.100 0.000 0.795 122 P CB 0.426 32.081 31.700 -0.075 0.000 0.775 123 N N -1.065 117.593 118.700 -0.070 0.000 2.467 123 N HA 0.017 4.757 4.740 0.000 0.000 0.184 123 N C 0.492 176.150 175.510 0.246 0.000 1.106 123 N CA 0.398 53.483 53.050 0.059 0.000 0.892 123 N CB -0.267 38.256 38.487 0.060 0.000 0.969 123 N HN 0.123 nan 8.380 nan 0.000 0.454 124 F N 1.765 121.710 119.950 -0.009 0.000 2.410 124 F HA 0.294 4.821 4.527 -0.000 0.000 0.334 124 F C 1.101 176.897 175.800 -0.006 0.000 1.134 124 F CA -0.623 57.371 58.000 -0.010 0.000 1.227 124 F CB 0.540 39.535 39.000 -0.009 0.000 1.194 124 F HN -0.206 nan 8.300 nan 0.000 0.571 125 E N 0.531 120.827 120.200 0.160 0.000 2.336 125 E HA 0.348 4.698 4.350 0.000 0.000 0.267 125 E C -1.076 175.553 176.600 0.049 0.000 0.906 125 E CA -0.939 55.511 56.400 0.083 0.000 0.781 125 E CB 2.695 32.426 29.700 0.053 0.000 1.261 125 E HN 0.148 nan 8.360 nan 0.000 0.436 126 V N 1.324 121.261 119.914 0.039 0.000 2.540 126 V HA 0.293 4.413 4.120 0.000 0.000 0.297 126 V C 1.398 177.501 176.094 0.014 0.000 1.024 126 V CA 1.739 64.055 62.300 0.025 0.000 1.105 126 V CB 0.317 32.150 31.823 0.017 0.000 0.938 126 V HN 1.023 nan 8.190 nan 0.000 0.482 127 G N 3.616 112.421 108.800 0.008 0.000 2.218 127 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 127 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 127 G C 0.009 174.901 174.900 -0.013 0.000 0.994 127 G CA -0.055 45.050 45.100 0.009 0.000 0.637 127 G HN 0.634 nan 8.290 nan 0.000 0.505 128 D N 0.484 120.848 120.400 -0.061 0.000 2.399 128 D HA 0.453 5.093 4.640 0.000 0.000 0.241 128 D C 0.743 176.916 176.300 -0.213 0.000 1.133 128 D CA 0.316 54.219 54.000 -0.162 0.000 0.890 128 D CB 0.775 41.407 40.800 -0.279 0.000 1.201 128 D HN 0.313 nan 8.370 nan 0.000 0.432 129 I N 2.430 122.802 120.570 -0.329 0.000 2.362 129 I HA 0.232 4.402 4.170 0.000 0.000 0.289 129 I C 0.100 175.931 176.117 -0.476 0.000 0.994 129 I CA -0.445 60.643 61.300 -0.353 0.000 1.158 129 I CB 1.396 39.091 38.000 -0.509 0.000 1.315 129 I HN 0.107 nan 8.210 nan 0.000 0.451 130 M N 7.715 127.125 119.600 -0.316 0.000 2.167 130 M HA 0.460 4.940 4.480 0.000 0.000 0.333 130 M C -1.303 174.907 176.300 -0.151 0.000 1.030 130 M CA -0.685 54.425 55.300 -0.317 0.000 0.963 130 M CB 1.270 33.683 32.600 -0.311 0.000 1.589 130 M HN 0.473 nan 8.290 nan 0.000 0.431 131 L N 5.913 127.034 121.223 -0.171 0.000 2.410 131 L HA 0.262 4.602 4.340 0.000 0.000 0.273 131 L C -0.216 176.576 176.870 -0.130 0.000 1.152 131 L CA -0.155 54.619 54.840 -0.110 0.000 0.855 131 L CB 0.636 42.663 42.059 -0.052 0.000 1.129 131 L HN 0.707 nan 8.230 nan 0.000 0.463 132 I N 4.542 124.963 120.570 -0.248 0.000 2.294 132 I HA 0.049 4.219 4.170 0.000 0.000 0.295 132 I C 1.428 177.233 176.117 -0.520 0.000 1.098 132 I CA -0.045 61.009 61.300 -0.409 0.000 1.277 132 I CB 0.498 38.114 38.000 -0.639 0.000 1.434 132 I HN 0.706 nan 8.210 nan 0.000 0.498 133 R N 2.966 123.304 120.500 -0.271 0.000 2.210 133 R HA 0.230 4.570 4.340 0.000 0.000 0.203 133 R C 0.028 176.245 176.300 -0.137 0.000 1.010 133 R CA 0.288 56.313 56.100 -0.126 0.000 1.008 133 R CB 0.246 30.550 30.300 0.007 0.000 0.923 133 R HN 0.480 nan 8.270 nan 0.000 0.469 134 D N -0.569 119.684 120.400 -0.246 0.000 2.692 134 D HA 0.205 4.845 4.640 0.000 0.000 0.290 134 D C -1.573 174.712 176.300 -0.025 0.000 1.281 134 D CA -0.635 53.315 54.000 -0.083 0.000 0.804 134 D CB 1.446 42.249 40.800 0.005 0.000 1.331 134 D HN 0.313 nan 8.370 nan 0.000 0.432 135 H N -1.090 118.065 119.070 0.142 0.000 3.008 135 H HA 0.678 5.234 4.556 -0.000 0.000 0.354 135 H C -1.051 174.332 175.328 0.092 0.000 1.252 135 H CA -0.961 55.173 56.048 0.144 0.000 1.117 135 H CB 1.275 31.188 29.762 0.251 0.000 1.857 135 H HN 0.260 nan 8.280 nan 0.000 0.547 136 I N 2.126 122.869 120.570 0.289 0.000 2.447 136 I HA 0.105 4.275 4.170 0.000 0.000 0.287 136 I C -0.525 175.560 176.117 -0.054 0.000 1.023 136 I CA -0.708 60.655 61.300 0.106 0.000 1.083 136 I CB 1.760 39.758 38.000 -0.004 0.000 1.245 136 I HN 0.492 nan 8.210 nan 0.000 0.434 137 N N 7.037 125.638 118.700 -0.165 0.000 2.801 137 N HA 0.330 5.070 4.740 0.000 0.000 0.235 137 N C 0.637 175.813 175.510 -0.558 0.000 1.069 137 N CA -0.233 52.645 53.050 -0.288 0.000 0.946 137 N CB 0.685 39.067 38.487 -0.175 0.000 1.212 137 N HN 0.595 nan 8.380 nan 0.000 0.509 138 L N 3.148 124.088 121.223 -0.472 0.000 1.989 138 L HA -0.037 4.303 4.340 0.000 0.000 0.211 138 L C -0.597 176.180 176.870 -0.154 0.000 1.071 138 L CA 1.276 55.853 54.840 -0.440 0.000 0.749 138 L CB -1.365 40.574 42.059 -0.199 0.000 0.890 138 L HN 0.388 nan 8.230 nan 0.000 0.431 139 P HA -0.130 nan 4.420 nan 0.000 0.219 139 P C 1.566 178.961 177.300 0.159 0.000 1.146 139 P CA 1.626 64.806 63.100 0.133 0.000 0.808 139 P CB -0.188 31.692 31.700 0.301 0.000 0.779 140 G N -1.044 107.801 108.800 0.074 0.000 2.422 140 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 140 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 140 G C 1.183 176.257 174.900 0.290 0.000 1.146 140 G CA 0.241 45.425 45.100 0.140 0.000 0.769 140 G HN 0.114 nan 8.290 nan 0.000 0.547 141 F N 2.237 122.237 119.950 0.083 0.000 2.236 141 F HA -0.077 4.450 4.527 0.000 0.000 0.302 141 F C 2.795 178.636 175.800 0.068 0.000 1.073 141 F CA 1.001 59.044 58.000 0.071 0.000 1.336 141 F CB -0.658 38.379 39.000 0.061 0.000 1.040 141 F HN 0.296 nan 8.300 nan 0.000 0.507 142 S N -1.443 114.418 115.700 0.269 0.000 2.572 142 S HA 0.463 4.933 4.470 0.000 0.000 0.228 142 S C 1.555 176.240 174.600 0.142 0.000 0.963 142 S CA 0.288 58.591 58.200 0.171 0.000 0.939 142 S CB 0.133 63.418 63.200 0.141 0.000 0.804 142 S HN 0.540 nan 8.310 nan 0.000 0.480 143 G N 0.849 109.745 108.800 0.161 0.000 2.195 143 G HA2 -0.264 3.696 3.960 0.000 0.000 0.246 143 G HA3 -0.264 3.696 3.960 0.000 0.000 0.246 143 G C -0.117 174.880 174.900 0.161 0.000 0.984 143 G CA 0.066 45.250 45.100 0.141 0.000 0.633 143 G HN 0.573 nan 8.290 nan 0.000 0.525 144 E N 1.376 121.693 120.200 0.195 0.000 1.944 144 E HA 0.472 4.822 4.350 0.000 0.000 0.272 144 E C -0.004 176.842 176.600 0.411 0.000 1.195 144 E CA -0.224 56.339 56.400 0.271 0.000 0.926 144 E CB -0.080 29.772 29.700 0.253 0.000 1.051 144 E HN 0.359 nan 8.360 nan 0.000 0.404 145 N N 4.368 123.285 118.700 0.362 0.000 2.287 145 N HA 0.227 4.967 4.740 0.000 0.000 0.289 145 N C -2.316 173.346 175.510 0.253 0.000 1.066 145 N CA -1.699 51.495 53.050 0.238 0.000 0.841 145 N CB 1.998 40.563 38.487 0.130 0.000 1.599 145 N HN 0.120 nan 8.380 nan 0.000 0.476 146 P HA -0.020 nan 4.420 nan 0.000 0.225 146 P C 0.918 178.276 177.300 0.098 0.000 1.148 146 P CA 0.839 64.046 63.100 0.179 0.000 0.779 146 P CB 0.576 32.298 31.700 0.036 0.000 0.780 147 L N -1.280 119.945 121.223 0.005 0.000 2.628 147 L HA 0.212 4.552 4.340 0.000 0.000 0.229 147 L C 1.539 178.391 176.870 -0.031 0.000 1.137 147 L CA -0.443 54.347 54.840 -0.083 0.000 0.909 147 L CB -0.283 41.648 42.059 -0.213 0.000 1.137 147 L HN -0.119 nan 8.230 nan 0.000 0.470 148 R N 1.148 121.673 120.500 0.042 0.000 2.491 148 R HA 0.428 4.768 4.340 0.000 0.000 0.283 148 R C 0.374 176.680 176.300 0.010 0.000 1.072 148 R CA 0.963 57.087 56.100 0.041 0.000 1.048 148 R CB 0.529 30.882 30.300 0.088 0.000 0.983 148 R HN 0.224 nan 8.270 nan 0.000 0.450 149 G N 3.871 112.665 108.800 -0.009 0.000 2.483 149 G HA2 -0.163 3.797 3.960 0.000 0.000 0.521 149 G HA3 -0.163 3.797 3.960 0.000 0.000 0.521 149 G C -2.648 172.231 174.900 -0.035 0.000 1.278 149 G CA -0.750 44.332 45.100 -0.029 0.000 0.965 149 G HN 0.599 nan 8.290 nan 0.000 0.504 150 P HA 0.273 nan 4.420 nan 0.000 0.268 150 P C -0.341 176.952 177.300 -0.011 0.000 1.205 150 P CA -0.120 62.965 63.100 -0.025 0.000 0.771 150 P CB 0.712 32.401 31.700 -0.019 0.000 0.858 151 N N 1.687 120.377 118.700 -0.016 0.000 2.499 151 N HA 0.085 4.825 4.740 0.000 0.000 0.281 151 N C -0.336 175.213 175.510 0.066 0.000 1.098 151 N CA -0.315 52.747 53.050 0.020 0.000 0.979 151 N CB 0.520 39.003 38.487 -0.006 0.000 1.121 151 N HN 0.260 nan 8.380 nan 0.000 0.466 152 E N 2.544 122.832 120.200 0.148 0.000 1.963 152 E HA 0.084 4.434 4.350 0.000 0.000 0.274 152 E C 0.165 176.829 176.600 0.107 0.000 1.061 152 E CA -0.132 56.359 56.400 0.151 0.000 0.847 152 E CB 0.215 30.104 29.700 0.314 0.000 1.083 152 E HN 0.470 nan 8.360 nan 0.000 0.402 153 E N 3.669 123.871 120.200 0.003 0.000 2.273 153 E HA -0.202 4.148 4.350 0.000 0.000 0.198 153 E C 1.094 177.625 176.600 -0.115 0.000 1.002 153 E CA 0.771 57.145 56.400 -0.043 0.000 0.828 153 E CB 0.036 29.698 29.700 -0.063 0.000 0.747 153 E HN 0.514 nan 8.360 nan 0.000 0.491 154 R N -0.827 119.537 120.500 -0.227 0.000 2.237 154 R HA -0.048 4.292 4.340 0.000 0.000 0.219 154 R C 1.607 177.678 176.300 -0.383 0.000 1.080 154 R CA 0.679 56.535 56.100 -0.408 0.000 0.995 154 R CB -0.009 29.798 30.300 -0.823 0.000 0.875 154 R HN 0.121 nan 8.270 nan 0.000 0.462 155 F N -1.238 118.702 119.950 -0.016 0.000 2.453 155 F HA 0.327 4.854 4.527 0.000 0.000 0.284 155 F C 1.366 176.996 175.800 -0.284 0.000 1.065 155 F CA 0.620 58.583 58.000 -0.062 0.000 1.411 155 F CB 0.286 39.299 39.000 0.022 0.000 1.131 155 F HN -0.008 nan 8.300 nan 0.000 0.582 156 G N -0.811 107.856 108.800 -0.221 0.000 2.489 156 G HA2 0.411 4.371 3.960 0.000 0.000 0.305 156 G HA3 0.411 4.371 3.960 0.000 0.000 0.305 156 G C -1.885 172.885 174.900 -0.216 0.000 1.311 156 G CA -0.486 44.297 45.100 -0.529 0.000 0.813 156 G HN -0.076 nan 8.290 nan 0.000 0.480 157 V N 0.191 120.029 119.914 -0.128 0.000 3.036 157 V HA 0.496 4.616 4.120 0.000 0.000 0.308 157 V C 2.041 178.203 176.094 0.114 0.000 1.070 157 V CA 0.154 62.471 62.300 0.028 0.000 1.056 157 V CB 1.486 33.331 31.823 0.036 0.000 1.084 157 V HN 0.935 nan 8.190 nan 0.000 0.471 158 R N 3.293 123.778 120.500 -0.026 0.000 2.083 158 R HA -0.053 4.287 4.340 0.000 0.000 0.237 158 R C 0.225 176.270 176.300 -0.424 0.000 1.137 158 R CA 2.069 57.998 56.100 -0.285 0.000 0.951 158 R CB -0.326 29.658 30.300 -0.527 0.000 0.851 158 R HN 0.578 nan 8.270 nan 0.000 0.434 159 F N 2.709 122.715 119.950 0.092 0.000 2.334 159 F HA 0.402 4.929 4.527 -0.000 0.000 0.343 159 F C -1.903 173.950 175.800 0.087 0.000 1.136 159 F CA -2.734 55.313 58.000 0.079 0.000 1.237 159 F CB 0.835 39.868 39.000 0.056 0.000 1.525 159 F HN 0.058 nan 8.300 nan 0.000 0.528 160 P HA 0.375 nan 4.420 nan 0.000 0.280 160 P C -0.526 176.866 177.300 0.154 0.000 1.244 160 P CA -0.248 62.965 63.100 0.187 0.000 0.784 160 P CB 1.647 33.484 31.700 0.228 0.000 0.913 161 A N 3.622 126.510 122.820 0.113 0.000 2.388 161 A HA 0.401 4.721 4.320 0.000 0.000 0.257 161 A C 0.946 178.570 177.584 0.066 0.000 1.095 161 A CA -0.260 51.828 52.037 0.086 0.000 0.791 161 A CB 0.120 19.158 19.000 0.063 0.000 1.029 161 A HN 0.527 nan 8.150 nan 0.000 0.489 162 M N 1.713 121.348 119.600 0.058 0.000 2.292 162 M HA 0.015 4.495 4.480 0.000 0.000 0.286 162 M C 1.894 178.190 176.300 -0.007 0.000 1.002 162 M CA 0.909 56.226 55.300 0.028 0.000 1.029 162 M CB -0.713 31.924 32.600 0.062 0.000 1.537 162 M HN 0.926 nan 8.290 nan 0.000 0.543 163 S N 1.222 116.932 115.700 0.016 0.000 2.419 163 S HA -0.127 4.343 4.470 0.000 0.000 0.235 163 S C 0.859 175.471 174.600 0.020 0.000 1.019 163 S CA 1.520 59.730 58.200 0.017 0.000 0.982 163 S CB -0.638 62.579 63.200 0.028 0.000 0.789 163 S HN 0.542 nan 8.310 nan 0.000 0.490 164 D N 0.565 120.972 120.400 0.011 0.000 2.894 164 D HA 0.574 5.214 4.640 0.000 0.000 0.273 164 D C 1.064 177.349 176.300 -0.025 0.000 1.328 164 D CA 0.113 54.123 54.000 0.017 0.000 0.845 164 D CB 0.217 41.029 40.800 0.022 0.000 1.072 164 D HN 0.313 nan 8.370 nan 0.000 0.484 165 A N 0.003 122.771 122.820 -0.087 0.000 1.873 165 A HA -0.082 4.238 4.320 0.000 0.000 0.215 165 A C 0.347 177.679 177.584 -0.421 0.000 1.186 165 A CA 0.689 52.551 52.037 -0.291 0.000 0.616 165 A CB -0.712 18.010 19.000 -0.462 0.000 0.823 165 A HN 0.333 nan 8.150 nan 0.000 0.442 166 Y N 0.953 121.273 120.300 0.032 0.000 2.425 166 Y HA 0.367 4.917 4.550 0.000 0.000 0.347 166 Y C 0.028 175.986 175.900 0.096 0.000 0.976 166 Y CA -1.362 56.778 58.100 0.065 0.000 1.190 166 Y CB -0.019 38.469 38.460 0.046 0.000 1.136 166 Y HN 0.271 nan 8.280 nan 0.000 0.517 167 D N 2.882 123.395 120.400 0.189 0.000 2.581 167 D HA -0.098 4.542 4.640 0.000 0.000 0.238 167 D C 1.454 177.869 176.300 0.192 0.000 1.145 167 D CA 0.513 54.610 54.000 0.162 0.000 0.866 167 D CB 0.741 41.629 40.800 0.147 0.000 1.151 167 D HN 0.585 nan 8.370 nan 0.000 0.500 168 R N 3.105 123.687 120.500 0.137 0.000 2.066 168 R HA -0.147 4.193 4.340 0.000 0.000 0.232 168 R C 0.804 177.173 176.300 0.116 0.000 1.131 168 R CA 1.360 57.536 56.100 0.127 0.000 0.955 168 R CB 0.029 30.382 30.300 0.089 0.000 0.851 168 R HN 0.570 nan 8.270 nan 0.000 0.432 169 D N 0.351 120.802 120.400 0.085 0.000 2.178 169 D HA -0.161 4.479 4.640 0.000 0.000 0.201 169 D C 1.930 178.262 176.300 0.054 0.000 0.980 169 D CA 1.207 55.243 54.000 0.061 0.000 0.842 169 D CB -0.060 40.763 40.800 0.037 0.000 0.948 169 D HN 0.369 nan 8.370 nan 0.000 0.472 170 M N -0.092 119.547 119.600 0.066 0.000 2.319 170 M HA -0.019 4.461 4.480 0.000 0.000 0.265 170 M C 2.036 178.368 176.300 0.053 0.000 1.068 170 M CA 0.798 56.092 55.300 -0.011 0.000 1.118 170 M CB 0.027 32.609 32.600 -0.030 0.000 1.395 170 M HN -0.106 nan 8.290 nan 0.000 0.435 171 R N -0.048 120.589 120.500 0.229 0.000 2.193 171 R HA -0.063 4.277 4.340 0.000 0.000 0.213 171 R C 2.059 178.534 176.300 0.293 0.000 1.055 171 R CA 0.829 57.126 56.100 0.329 0.000 0.995 171 R CB -0.033 30.469 30.300 0.336 0.000 0.893 171 R HN 0.530 nan 8.270 nan 0.000 0.459 172 Q N 0.291 120.204 119.800 0.189 0.000 2.049 172 Q HA -0.084 4.256 4.340 0.000 0.000 0.198 172 Q C 1.777 177.869 176.000 0.152 0.000 0.971 172 Q CA 0.914 56.813 55.803 0.161 0.000 0.833 172 Q CB 0.136 28.928 28.738 0.091 0.000 0.896 172 Q HN 0.055 nan 8.270 nan 0.000 0.434 173 K N 0.856 121.304 120.400 0.080 0.000 2.057 173 K HA -0.090 4.230 4.320 0.000 0.000 0.207 173 K C 2.043 178.676 176.600 0.055 0.000 1.049 173 K CA 1.284 57.589 56.287 0.030 0.000 0.931 173 K CB -0.562 31.903 32.500 -0.059 0.000 0.714 173 K HN 0.186 nan 8.250 nan 0.000 0.440 174 A N 1.068 123.924 122.820 0.059 0.000 1.908 174 A HA -0.207 4.113 4.320 0.000 0.000 0.218 174 A C 2.001 179.732 177.584 0.244 0.000 1.181 174 A CA 1.745 53.880 52.037 0.164 0.000 0.627 174 A CB -0.812 18.357 19.000 0.282 0.000 0.818 174 A HN 0.399 nan 8.150 nan 0.000 0.445 175 H N -0.572 118.612 119.070 0.190 0.000 2.353 175 H HA -0.052 4.504 4.556 -0.000 0.000 0.300 175 H C 2.622 178.064 175.328 0.191 0.000 1.090 175 H CA 1.859 58.000 56.048 0.156 0.000 1.327 175 H CB 0.055 29.868 29.762 0.085 0.000 1.383 175 H HN 0.480 nan 8.280 nan 0.000 0.508 176 S N -0.530 115.324 115.700 0.257 0.000 2.356 176 S HA -0.175 4.295 4.470 0.000 0.000 0.223 176 S C 2.176 176.880 174.600 0.174 0.000 1.032 176 S CA 1.680 59.986 58.200 0.176 0.000 1.005 176 S CB -0.327 62.940 63.200 0.110 0.000 0.867 176 S HN 0.486 nan 8.310 nan 0.000 0.449 177 T N 1.224 115.891 114.554 0.189 0.000 2.746 177 T HA -0.136 4.214 4.350 0.000 0.000 0.267 177 T C 1.327 176.190 174.700 0.272 0.000 1.039 177 T CA 0.974 63.186 62.100 0.187 0.000 1.142 177 T CB -0.318 68.638 68.868 0.147 0.000 0.866 177 T HN 0.571 nan 8.240 nan 0.000 0.444 178 W N 2.389 123.783 121.300 0.156 0.000 2.338 178 W HA -0.151 4.509 4.660 0.000 0.000 0.304 178 W C 1.841 178.371 176.519 0.019 0.000 1.212 178 W CA 1.275 58.645 57.345 0.041 0.000 1.264 178 W CB -0.171 29.233 29.460 -0.093 0.000 1.142 178 W HN 0.307 nan 8.180 nan 0.000 0.512 179 K N 0.105 120.637 120.400 0.220 0.000 2.057 179 K HA -0.227 4.093 4.320 0.000 0.000 0.207 179 K C 2.016 178.620 176.600 0.007 0.000 1.049 179 K CA 1.789 58.140 56.287 0.107 0.000 0.931 179 K CB -0.573 32.004 32.500 0.127 0.000 0.714 179 K HN 0.254 nan 8.250 nan 0.000 0.440 180 Q N 0.110 119.922 119.800 0.020 0.000 2.291 180 Q HA -0.038 4.302 4.340 0.000 0.000 0.205 180 Q C 1.901 177.861 176.000 -0.068 0.000 0.970 180 Q CA 0.996 56.791 55.803 -0.013 0.000 0.876 180 Q CB -0.021 28.722 28.738 0.009 0.000 0.935 180 Q HN 0.375 nan 8.270 nan 0.000 0.455 181 M N -1.213 118.305 119.600 -0.136 0.000 2.419 181 M HA 0.039 4.519 4.480 0.000 0.000 0.264 181 M C 1.045 177.198 176.300 -0.246 0.000 1.082 181 M CA 0.952 56.119 55.300 -0.222 0.000 1.119 181 M CB 0.355 32.730 32.600 -0.374 0.000 1.398 181 M HN 0.391 nan 8.290 nan 0.000 0.453 182 G N 1.255 109.913 108.800 -0.236 0.000 2.160 182 G HA2 -0.176 3.784 3.960 0.000 0.000 0.244 182 G HA3 -0.176 3.784 3.960 0.000 0.000 0.244 182 G C -0.332 174.427 174.900 -0.236 0.000 1.022 182 G CA -0.307 44.686 45.100 -0.180 0.000 0.741 182 G HN 0.396 nan 8.290 nan 0.000 0.508 183 E N 0.440 120.385 120.200 -0.425 0.000 2.376 183 E HA 0.104 4.454 4.350 0.000 0.000 0.266 183 E C 1.828 178.351 176.600 -0.128 0.000 1.009 183 E CA 0.022 56.170 56.400 -0.420 0.000 0.902 183 E CB 0.868 29.980 29.700 -0.980 0.000 0.972 183 E HN 0.632 nan 8.360 nan 0.000 0.439 184 Q N 3.364 123.129 119.800 -0.059 0.000 2.119 184 Q HA -0.135 4.205 4.340 0.000 0.000 0.201 184 Q C 0.707 176.755 176.000 0.080 0.000 0.972 184 Q CA 1.096 56.905 55.803 0.010 0.000 0.847 184 Q CB -0.203 28.534 28.738 -0.001 0.000 0.903 184 Q HN 0.143 nan 8.270 nan 0.000 0.433 185 R N 2.106 122.681 120.500 0.126 0.000 2.340 185 R HA 0.156 4.496 4.340 0.000 0.000 0.300 185 R C -0.814 175.677 176.300 0.319 0.000 1.069 185 R CA -0.209 55.994 56.100 0.171 0.000 0.984 185 R CB 0.576 30.965 30.300 0.148 0.000 1.003 185 R HN 0.065 nan 8.270 nan 0.000 0.459 186 E N 2.522 122.829 120.200 0.179 0.000 2.408 186 E HA 0.091 4.441 4.350 0.000 0.000 0.259 186 E C -0.645 175.826 176.600 -0.216 0.000 1.110 186 E CA -0.417 56.054 56.400 0.118 0.000 0.929 186 E CB 0.280 30.013 29.700 0.055 0.000 0.971 186 E HN 0.381 nan 8.360 nan 0.000 0.438 187 L N 2.523 123.392 121.223 -0.590 0.000 2.281 187 L HA 0.129 4.469 4.340 0.000 0.000 0.285 187 L C -0.578 175.989 176.870 -0.505 0.000 1.074 187 L CA -0.133 54.054 54.840 -1.088 0.000 0.817 187 L CB 0.384 41.551 42.059 -1.487 0.000 1.168 187 L HN 0.292 nan 8.230 nan 0.000 0.434 188 Q N 3.950 123.442 119.800 -0.515 0.000 2.312 188 Q HA 0.370 4.710 4.340 0.000 0.000 0.236 188 Q C -0.655 175.216 176.000 -0.215 0.000 0.965 188 Q CA -0.066 55.541 55.803 -0.326 0.000 0.894 188 Q CB 1.219 29.562 28.738 -0.657 0.000 1.225 188 Q HN 0.709 nan 8.270 nan 0.000 0.478 189 E N -0.962 119.232 120.200 -0.010 0.000 2.321 189 E HA 0.617 4.967 4.350 0.000 0.000 0.281 189 E C -1.238 175.446 176.600 0.139 0.000 0.910 189 E CA -0.383 56.046 56.400 0.049 0.000 0.770 189 E CB 1.315 31.087 29.700 0.120 0.000 1.225 189 E HN 0.706 nan 8.360 nan 0.000 0.417 190 G N 1.320 110.185 108.800 0.108 0.000 2.561 190 G HA2 0.345 4.305 3.960 0.000 0.000 0.310 190 G HA3 0.345 4.305 3.960 0.000 0.000 0.310 190 G C -1.174 173.763 174.900 0.061 0.000 1.292 190 G CA -0.556 44.621 45.100 0.128 0.000 0.811 190 G HN 0.349 nan 8.290 nan 0.000 0.482 191 T N 0.533 115.131 114.554 0.073 0.000 2.799 191 T HA 0.486 4.836 4.350 0.000 0.000 0.286 191 T C -1.260 173.512 174.700 0.120 0.000 0.973 191 T CA 0.112 62.251 62.100 0.064 0.000 1.035 191 T CB 1.023 69.919 68.868 0.046 0.000 0.932 191 T HN 0.437 nan 8.240 nan 0.000 0.469 192 Y N 3.646 123.949 120.300 0.004 0.000 2.330 192 Y HA 0.613 5.163 4.550 -0.000 0.000 0.336 192 Y C -0.582 175.348 175.900 0.050 0.000 1.036 192 Y CA -0.815 57.300 58.100 0.025 0.000 1.125 192 Y CB 0.979 39.435 38.460 -0.007 0.000 1.194 192 Y HN 0.421 nan 8.280 nan 0.000 0.469 193 V N 8.785 128.390 119.914 -0.514 0.000 2.459 193 V HA 0.470 4.590 4.120 0.000 0.000 0.295 193 V C -0.879 174.871 176.094 -0.573 0.000 1.029 193 V CA -0.815 61.262 62.300 -0.372 0.000 0.874 193 V CB 1.458 33.158 31.823 -0.204 0.000 0.985 193 V HN 0.959 nan 8.190 nan 0.000 0.438 194 M N 7.395 126.814 119.600 -0.302 0.000 2.336 194 M HA 0.649 5.129 4.480 0.000 0.000 0.342 194 M C -1.681 174.568 176.300 -0.085 0.000 1.128 194 M CA -0.626 54.577 55.300 -0.162 0.000 1.016 194 M CB 1.450 34.051 32.600 0.001 0.000 1.665 194 M HN 0.689 nan 8.290 nan 0.000 0.445 195 L N 2.851 124.062 121.223 -0.020 0.000 2.303 195 L HA 0.814 5.154 4.340 0.000 0.000 0.256 195 L C 0.676 177.597 176.870 0.085 0.000 1.034 195 L CA -0.599 54.251 54.840 0.016 0.000 0.832 195 L CB 0.062 42.118 42.059 -0.004 0.000 1.403 195 L HN 0.696 nan 8.230 nan 0.000 0.419 196 G N -0.996 107.855 108.800 0.085 0.000 2.402 196 G HA2 0.398 4.358 3.960 0.000 0.000 0.216 196 G HA3 0.398 4.358 3.960 0.000 0.000 0.216 196 G C 0.744 175.723 174.900 0.133 0.000 1.162 196 G CA 0.806 45.976 45.100 0.117 0.000 0.777 196 G HN 1.426 nan 8.290 nan 0.000 0.539 197 G N 0.171 108.990 108.800 0.032 0.000 2.632 197 G HA2 -0.129 3.831 3.960 0.000 0.000 0.224 197 G HA3 -0.129 3.831 3.960 0.000 0.000 0.224 197 G C -1.063 173.773 174.900 -0.107 0.000 1.341 197 G CA 0.192 45.239 45.100 -0.089 0.000 0.880 197 G HN 0.426 nan 8.290 nan 0.000 0.566 198 P HA 0.096 nan 4.420 nan 0.000 0.255 198 P C 0.563 177.506 177.300 -0.595 0.000 1.248 198 P CA 0.481 63.198 63.100 -0.639 0.000 0.807 198 P CB -0.242 30.995 31.700 -0.772 0.000 1.150 199 N N 0.561 119.041 118.700 -0.367 0.000 2.444 199 N HA 0.011 4.751 4.740 0.000 0.000 0.255 199 N C -0.529 174.789 175.510 -0.319 0.000 1.255 199 N CA -0.155 52.706 53.050 -0.315 0.000 0.933 199 N CB 0.488 38.893 38.487 -0.137 0.000 1.143 199 N HN -0.197 nan 8.380 nan 0.000 0.453 200 F N 0.126 120.035 119.950 -0.068 0.000 2.370 200 F HA 0.214 4.741 4.527 0.000 0.000 0.324 200 F C 0.881 176.663 175.800 -0.031 0.000 1.116 200 F CA -0.528 57.445 58.000 -0.044 0.000 1.123 200 F CB 0.436 39.418 39.000 -0.029 0.000 1.238 200 F HN 0.420 nan 8.300 nan 0.000 0.536 201 E N -0.247 120.080 120.200 0.211 0.000 2.404 201 E HA 0.243 4.593 4.350 0.000 0.000 0.261 201 E C 0.058 176.701 176.600 0.072 0.000 1.074 201 E CA -0.289 56.170 56.400 0.100 0.000 0.917 201 E CB 0.173 29.917 29.700 0.073 0.000 0.965 201 E HN 0.570 nan 8.360 nan 0.000 0.433 202 T N -1.917 112.662 114.554 0.043 0.000 2.874 202 T HA 0.168 4.518 4.350 0.000 0.000 0.281 202 T C 1.233 175.944 174.700 0.019 0.000 0.994 202 T CA -0.851 61.266 62.100 0.029 0.000 1.015 202 T CB 0.877 69.757 68.868 0.020 0.000 1.028 202 T HN 0.133 nan 8.240 nan 0.000 0.523 203 V N 1.623 121.543 119.914 0.011 0.000 2.287 203 V HA -0.171 3.949 4.120 0.000 0.000 0.248 203 V C 3.103 179.200 176.094 0.004 0.000 1.053 203 V CA 2.441 64.743 62.300 0.004 0.000 1.027 203 V CB -1.630 30.194 31.823 0.001 0.000 0.646 203 V HN 1.089 nan 8.190 nan 0.000 0.447 204 A N -0.546 122.278 122.820 0.006 0.000 1.940 204 A HA -0.260 4.060 4.320 0.000 0.000 0.219 204 A C 2.157 179.746 177.584 0.007 0.000 1.176 204 A CA 1.997 54.038 52.037 0.006 0.000 0.631 204 A CB -0.448 18.557 19.000 0.007 0.000 0.814 204 A HN 0.656 nan 8.150 nan 0.000 0.446 205 E N -1.104 119.102 120.200 0.010 0.000 2.107 205 E HA -0.125 4.225 4.350 0.000 0.000 0.191 205 E C 1.985 178.588 176.600 0.006 0.000 0.982 205 E CA 1.060 57.467 56.400 0.011 0.000 0.809 205 E CB -0.292 29.418 29.700 0.016 0.000 0.756 205 E HN 0.675 nan 8.360 nan 0.000 0.459 206 C N 0.557 119.860 119.300 0.005 0.000 2.446 206 C HA -0.035 4.425 4.460 0.000 0.000 0.277 206 C C 2.512 177.496 174.990 -0.010 0.000 1.275 206 C CA 0.459 59.475 59.018 -0.003 0.000 1.727 206 C CB -0.740 26.998 27.740 -0.003 0.000 2.010 206 C HN 0.377 nan 8.230 nan 0.000 0.486 207 R N 0.357 120.853 120.500 -0.007 0.000 2.092 207 R HA -0.063 4.277 4.340 0.000 0.000 0.231 207 R C 2.223 178.519 176.300 -0.007 0.000 1.119 207 R CA 0.996 57.090 56.100 -0.010 0.000 0.970 207 R CB -0.487 29.809 30.300 -0.007 0.000 0.864 207 R HN 0.547 nan 8.270 nan 0.000 0.440 208 L N 1.058 122.281 121.223 -0.000 0.000 2.017 208 L HA -0.181 4.159 4.340 0.000 0.000 0.208 208 L C 2.049 178.921 176.870 0.004 0.000 1.073 208 L CA 1.460 56.304 54.840 0.006 0.000 0.745 208 L CB -0.170 41.897 42.059 0.013 0.000 0.894 208 L HN 0.168 nan 8.230 nan 0.000 0.432 209 L N -0.380 120.841 121.223 -0.003 0.000 2.046 209 L HA -0.217 4.123 4.340 0.000 0.000 0.208 209 L C 2.808 179.666 176.870 -0.019 0.000 1.077 209 L CA 1.109 55.941 54.840 -0.012 0.000 0.747 209 L CB -0.593 41.450 42.059 -0.026 0.000 0.896 209 L HN 0.282 nan 8.230 nan 0.000 0.432 210 R N 0.898 121.382 120.500 -0.025 0.000 2.081 210 R HA -0.126 4.214 4.340 0.000 0.000 0.235 210 R C 1.951 178.235 176.300 -0.027 0.000 1.131 210 R CA 1.573 57.650 56.100 -0.038 0.000 0.960 210 R CB -0.591 29.682 30.300 -0.045 0.000 0.856 210 R HN 0.325 nan 8.270 nan 0.000 0.436 211 N N 0.369 119.060 118.700 -0.015 0.000 2.364 211 N HA -0.100 4.640 4.740 0.000 0.000 0.183 211 N C 1.301 176.814 175.510 0.004 0.000 1.022 211 N CA 0.955 54.001 53.050 -0.006 0.000 0.883 211 N CB -0.051 38.436 38.487 -0.001 0.000 0.965 211 N HN 0.313 nan 8.380 nan 0.000 0.438 212 L N -0.575 120.654 121.223 0.010 0.000 2.599 212 L HA 0.120 4.460 4.340 0.000 0.000 0.230 212 L C 1.164 178.047 176.870 0.022 0.000 1.141 212 L CA 0.352 55.209 54.840 0.028 0.000 0.877 212 L CB -0.306 41.777 42.059 0.041 0.000 1.009 212 L HN 0.215 nan 8.230 nan 0.000 0.447 213 G N -0.025 108.775 108.800 0.001 0.000 2.141 213 G HA2 -0.214 3.746 3.960 0.000 0.000 0.231 213 G HA3 -0.214 3.746 3.960 0.000 0.000 0.231 213 G C 0.291 175.184 174.900 -0.012 0.000 0.984 213 G CA -0.054 45.043 45.100 -0.005 0.000 0.660 213 G HN 0.465 nan 8.290 nan 0.000 0.525 214 A N -0.173 122.634 122.820 -0.022 0.000 2.340 214 A HA 0.655 4.975 4.320 0.000 0.000 0.268 214 A C 0.956 178.509 177.584 -0.051 0.000 1.100 214 A CA 0.463 52.483 52.037 -0.029 0.000 0.803 214 A CB 0.522 19.493 19.000 -0.048 0.000 1.043 214 A HN 0.155 nan 8.150 nan 0.000 0.488 215 D N 0.256 120.643 120.400 -0.022 0.000 2.380 215 D HA 0.328 4.968 4.640 0.000 0.000 0.212 215 D C 0.474 176.803 176.300 0.048 0.000 1.021 215 D CA 1.376 55.340 54.000 -0.060 0.000 0.884 215 D CB 0.604 41.416 40.800 0.020 0.000 1.001 215 D HN 0.674 nan 8.370 nan 0.000 0.506 216 A N 0.582 123.458 122.820 0.094 0.000 2.549 216 A HA 0.543 4.863 4.320 0.000 0.000 0.297 216 A C -1.421 176.117 177.584 -0.078 0.000 1.061 216 A CA -0.574 51.532 52.037 0.115 0.000 0.690 216 A CB 2.371 21.535 19.000 0.273 0.000 1.287 216 A HN -0.067 nan 8.150 nan 0.000 0.402 217 V N 1.260 121.125 119.914 -0.081 0.000 2.604 217 V HA 0.925 5.045 4.120 0.000 0.000 0.305 217 V C 0.231 176.253 176.094 -0.119 0.000 1.043 217 V CA 0.742 62.917 62.300 -0.208 0.000 0.888 217 V CB 1.556 33.330 31.823 -0.081 0.000 0.995 217 V HN 1.815 nan 8.190 nan 0.000 0.429 218 G N 4.591 113.237 108.800 -0.257 0.000 2.788 218 G HA2 0.549 4.509 3.960 0.000 0.000 0.293 218 G HA3 0.549 4.509 3.960 0.000 0.000 0.293 218 G C -0.786 174.214 174.900 0.168 0.000 1.392 218 G CA -0.690 44.498 45.100 0.147 0.000 0.810 218 G HN 0.675 nan 8.290 nan 0.000 0.508 219 M N 1.340 121.132 119.600 0.320 0.000 2.809 219 M HA 0.354 4.834 4.480 0.000 0.000 0.388 219 M C 0.279 176.822 176.300 0.406 0.000 1.248 219 M CA -0.333 55.164 55.300 0.328 0.000 0.885 219 M CB 0.814 33.636 32.600 0.369 0.000 1.386 219 M HN 0.635 nan 8.290 nan 0.000 0.509 220 S N -2.701 113.221 115.700 0.371 0.000 2.930 220 S HA 0.617 5.087 4.470 0.000 0.000 0.306 220 S C 0.478 175.135 174.600 0.095 0.000 1.238 220 S CA 0.265 58.589 58.200 0.207 0.000 1.000 220 S CB 1.444 64.737 63.200 0.154 0.000 1.342 220 S HN 0.239 nan 8.310 nan 0.000 0.575 221 T N 0.243 114.758 114.554 -0.065 0.000 12.724 221 T HA -0.283 4.067 4.350 0.000 0.000 0.418 221 T C 1.429 176.043 174.700 -0.143 0.000 1.446 221 T CA 1.881 63.891 62.100 -0.149 0.000 2.382 221 T CB -2.322 66.355 68.868 -0.318 0.000 2.829 221 T HN 1.186 nan 8.240 nan 0.000 0.744 222 V N 3.034 122.870 119.914 -0.130 0.000 2.278 222 V HA -0.194 3.926 4.120 0.000 0.000 0.251 222 V C -0.162 175.745 176.094 -0.311 0.000 1.062 222 V CA 2.872 65.007 62.300 -0.275 0.000 1.038 222 V CB -1.693 29.896 31.823 -0.391 0.000 0.646 222 V HN 0.459 nan 8.190 nan 0.000 0.447 223 P HA -0.140 nan 4.420 nan 0.000 0.215 223 P C 1.582 178.734 177.300 -0.247 0.000 1.153 223 P CA 1.405 64.235 63.100 -0.450 0.000 0.853 223 P CB -0.013 31.307 31.700 -0.632 0.000 0.788 224 E N -0.718 119.367 120.200 -0.192 0.000 2.072 224 E HA -0.106 4.244 4.350 0.000 0.000 0.191 224 E C 1.955 178.489 176.600 -0.110 0.000 0.985 224 E CA 0.951 57.269 56.400 -0.137 0.000 0.801 224 E CB -0.669 28.957 29.700 -0.123 0.000 0.750 224 E HN 0.021 nan 8.360 nan 0.000 0.452 225 V N 1.311 121.164 119.914 -0.102 0.000 2.407 225 V HA -0.243 3.877 4.120 0.000 0.000 0.248 225 V C 2.169 178.225 176.094 -0.063 0.000 1.055 225 V CA 1.423 63.675 62.300 -0.079 0.000 1.049 225 V CB -0.366 31.441 31.823 -0.026 0.000 0.662 225 V HN 0.275 nan 8.190 nan 0.000 0.455 226 I N -0.414 120.118 120.570 -0.063 0.000 2.202 226 I HA -0.190 3.980 4.170 0.000 0.000 0.242 226 I C 2.368 178.465 176.117 -0.033 0.000 1.091 226 I CA 1.267 62.547 61.300 -0.034 0.000 1.368 226 I CB -0.356 37.605 38.000 -0.066 0.000 1.058 226 I HN 0.143 nan 8.210 nan 0.000 0.410 227 V N 1.047 120.914 119.914 -0.079 0.000 2.343 227 V HA -0.277 3.843 4.120 0.000 0.000 0.247 227 V C 2.698 178.763 176.094 -0.048 0.000 1.051 227 V CA 1.884 64.134 62.300 -0.083 0.000 1.036 227 V CB -1.046 30.691 31.823 -0.144 0.000 0.654 227 V HN 0.480 nan 8.190 nan 0.000 0.451 228 A N 0.112 122.895 122.820 -0.061 0.000 1.865 228 A HA -0.219 4.101 4.320 0.000 0.000 0.217 228 A C 2.363 179.938 177.584 -0.015 0.000 1.191 228 A CA 1.698 53.709 52.037 -0.044 0.000 0.623 228 A CB -0.518 18.459 19.000 -0.039 0.000 0.826 228 A HN 0.380 nan 8.150 nan 0.000 0.444 229 R N -0.732 119.760 120.500 -0.013 0.000 2.091 229 R HA -0.154 4.186 4.340 0.000 0.000 0.238 229 R C 2.156 178.483 176.300 0.045 0.000 1.136 229 R CA 1.619 57.719 56.100 -0.001 0.000 0.959 229 R CB -1.354 28.936 30.300 -0.017 0.000 0.856 229 R HN 0.874 nan 8.270 nan 0.000 0.437 230 H N 0.454 119.506 119.070 -0.030 0.000 2.390 230 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 230 H C 1.329 176.664 175.328 0.011 0.000 1.106 230 H CA 1.935 57.977 56.048 -0.010 0.000 1.297 230 H CB 0.190 29.937 29.762 -0.025 0.000 1.375 230 H HN 0.362 nan 8.280 nan 0.000 0.509 231 C N -0.581 118.705 119.300 -0.024 0.000 2.693 231 C HA 0.569 5.029 4.460 0.000 0.000 0.286 231 C C 1.611 176.597 174.990 -0.008 0.000 1.277 231 C CA 0.221 59.219 59.018 -0.032 0.000 1.705 231 C CB -0.686 27.072 27.740 0.030 0.000 1.879 231 C HN 0.745 nan 8.230 nan 0.000 0.607 232 G N 0.632 109.421 108.800 -0.018 0.000 2.136 232 G HA2 -0.187 3.773 3.960 0.000 0.000 0.242 232 G HA3 -0.187 3.773 3.960 0.000 0.000 0.242 232 G C -0.393 174.511 174.900 0.007 0.000 0.989 232 G CA 0.165 45.262 45.100 -0.005 0.000 0.682 232 G HN 0.519 nan 8.290 nan 0.000 0.522 233 L N 0.649 121.875 121.223 0.006 0.000 2.349 233 L HA 0.501 4.841 4.340 0.000 0.000 0.275 233 L C 1.209 178.083 176.870 0.006 0.000 1.115 233 L CA -0.706 54.141 54.840 0.012 0.000 0.820 233 L CB 1.056 43.124 42.059 0.015 0.000 1.135 233 L HN 0.366 nan 8.230 nan 0.000 0.445 234 R N 2.739 123.248 120.500 0.016 0.000 2.491 234 R HA 0.480 4.820 4.340 0.000 0.000 0.283 234 R C -1.312 175.009 176.300 0.035 0.000 1.072 234 R CA -0.272 55.842 56.100 0.023 0.000 1.048 234 R CB 0.618 30.936 30.300 0.030 0.000 0.983 234 R HN 0.466 nan 8.270 nan 0.000 0.450 235 V N 5.545 125.479 119.914 0.033 0.000 2.823 235 V HA 0.576 4.696 4.120 0.000 0.000 0.312 235 V C -0.954 175.258 176.094 0.197 0.000 1.072 235 V CA -0.705 61.626 62.300 0.052 0.000 0.937 235 V CB 1.699 33.465 31.823 -0.094 0.000 1.013 235 V HN 0.749 nan 8.190 nan 0.000 0.430 236 F N 1.986 121.993 119.950 0.096 0.000 2.619 236 F HA 0.902 5.429 4.527 -0.000 0.000 0.308 236 F C -0.122 175.799 175.800 0.202 0.000 1.097 236 F CA -0.077 58.039 58.000 0.192 0.000 0.953 236 F CB 2.227 41.309 39.000 0.137 0.000 1.287 236 F HN 0.743 nan 8.300 nan 0.000 0.446 237 G N 3.273 111.634 108.800 -0.732 0.000 2.673 237 G HA2 0.631 4.591 3.960 0.000 0.000 0.292 237 G HA3 0.631 4.591 3.960 0.000 0.000 0.292 237 G C -2.299 172.255 174.900 -0.576 0.000 1.450 237 G CA -0.595 44.157 45.100 -0.580 0.000 0.837 237 G HN 1.056 nan 8.290 nan 0.000 0.505 238 F N -0.936 118.759 119.950 -0.425 0.000 2.631 238 F HA 0.860 5.387 4.527 0.000 0.000 0.308 238 F C -0.457 175.234 175.800 -0.183 0.000 1.097 238 F CA -1.365 56.459 58.000 -0.293 0.000 0.952 238 F CB 1.641 40.532 39.000 -0.182 0.000 1.307 238 F HN 0.421 nan 8.300 nan 0.000 0.450 239 S N 2.204 117.927 115.700 0.038 0.000 2.472 239 S HA 0.638 5.108 4.470 0.000 0.000 0.303 239 S C -1.245 173.416 174.600 0.101 0.000 1.099 239 S CA -0.605 57.608 58.200 0.021 0.000 1.077 239 S CB 1.685 64.923 63.200 0.064 0.000 1.031 239 S HN 0.782 nan 8.310 nan 0.000 0.487 240 L N 4.405 125.692 121.223 0.106 0.000 2.257 240 L HA 0.466 4.806 4.340 0.000 0.000 0.290 240 L C -0.743 176.164 176.870 0.063 0.000 1.044 240 L CA -0.365 54.532 54.840 0.095 0.000 0.810 240 L CB 0.116 42.245 42.059 0.117 0.000 1.193 240 L HN 0.492 nan 8.230 nan 0.000 0.425 241 I N 5.757 126.337 120.570 0.017 0.000 2.460 241 I HA 0.024 4.194 4.170 0.000 0.000 0.297 241 I C 1.547 177.691 176.117 0.045 0.000 1.139 241 I CA 0.374 61.697 61.300 0.039 0.000 1.340 241 I CB -0.352 37.650 38.000 0.004 0.000 1.444 241 I HN 0.805 nan 8.210 nan 0.000 0.557 242 T N 2.214 116.804 114.554 0.061 0.000 3.067 242 T HA 0.050 4.400 4.350 0.000 0.000 0.261 242 T C 0.671 175.384 174.700 0.022 0.000 1.110 242 T CA 0.052 62.178 62.100 0.044 0.000 1.113 242 T CB -0.009 68.893 68.868 0.057 0.000 0.917 242 T HN 0.662 nan 8.240 nan 0.000 0.499 243 N N -0.606 118.109 118.700 0.025 0.000 2.961 243 N HA 0.221 4.961 4.740 0.000 0.000 0.245 243 N C -2.016 173.500 175.510 0.011 0.000 1.404 243 N CA -0.882 52.164 53.050 -0.006 0.000 0.880 243 N CB 1.344 39.792 38.487 -0.065 0.000 1.461 243 N HN -0.166 nan 8.380 nan 0.000 0.510 244 K N 1.273 121.670 120.400 -0.005 0.000 2.213 244 K HA 0.302 4.622 4.320 0.000 0.000 0.270 244 K C 0.181 176.765 176.600 -0.025 0.000 1.002 244 K CA -0.538 55.753 56.287 0.006 0.000 0.868 244 K CB 1.824 34.328 32.500 0.007 0.000 1.093 244 K HN 0.541 nan 8.250 nan 0.000 0.454 245 V N 0.724 120.627 119.914 -0.017 0.000 2.924 245 V HA 0.219 4.339 4.120 0.000 0.000 0.305 245 V C 0.440 176.515 176.094 -0.031 0.000 1.073 245 V CA -0.967 61.313 62.300 -0.034 0.000 1.098 245 V CB -0.067 31.748 31.823 -0.013 0.000 1.000 245 V HN 0.525 nan 8.190 nan 0.000 0.484 246 I N 3.325 123.873 120.570 -0.037 0.000 2.505 246 I HA 0.295 4.465 4.170 0.000 0.000 0.287 246 I C 0.706 176.812 176.117 -0.017 0.000 1.104 246 I CA 0.197 61.480 61.300 -0.027 0.000 1.387 246 I CB 0.002 37.985 38.000 -0.028 0.000 1.404 246 I HN 0.531 nan 8.210 nan 0.000 0.528 247 M N 2.985 122.575 119.600 -0.016 0.000 2.313 247 M HA 0.310 4.790 4.480 0.000 0.000 0.273 247 M C -0.209 176.085 176.300 -0.011 0.000 1.049 247 M CA 0.173 55.464 55.300 -0.014 0.000 1.004 247 M CB -0.616 31.973 32.600 -0.018 0.000 1.461 247 M HN 0.759 nan 8.290 nan 0.000 0.514 248 D N -0.502 119.892 120.400 -0.010 0.000 2.819 248 D HA 0.281 4.921 4.640 0.000 0.000 0.232 248 D C 0.807 177.103 176.300 -0.006 0.000 1.160 248 D CA 0.026 54.022 54.000 -0.008 0.000 0.858 248 D CB 1.794 42.589 40.800 -0.008 0.000 1.610 248 D HN 0.046 nan 8.370 nan 0.000 0.481 249 T N -0.363 114.188 114.554 -0.004 0.000 3.007 249 T HA -0.040 4.310 4.350 0.000 0.000 0.270 249 T C 0.595 175.293 174.700 -0.003 0.000 1.107 249 T CA 0.491 62.589 62.100 -0.003 0.000 1.118 249 T CB 0.001 68.868 68.868 -0.002 0.000 0.889 249 T HN 0.262 nan 8.240 nan 0.000 0.506 250 E N 2.875 123.073 120.200 -0.004 0.000 2.110 250 E HA 0.255 4.605 4.350 0.000 0.000 0.300 250 E C -0.451 176.145 176.600 -0.006 0.000 1.278 250 E CA -0.137 56.260 56.400 -0.005 0.000 1.365 250 E CB -0.214 29.483 29.700 -0.004 0.000 1.283 250 E HN 0.376 nan 8.360 nan 0.000 0.490 251 S N 1.989 117.685 115.700 -0.006 0.000 2.506 251 S HA -0.012 4.458 4.470 0.000 0.000 0.291 251 S C 1.418 176.012 174.600 -0.009 0.000 1.230 251 S CA -0.029 58.166 58.200 -0.009 0.000 1.107 251 S CB 0.610 63.805 63.200 -0.008 0.000 0.942 251 S HN 0.372 nan 8.310 nan 0.000 0.502 252 Q N 2.250 122.043 119.800 -0.012 0.000 2.046 252 Q HA 0.059 4.399 4.340 0.000 0.000 0.200 252 Q C 1.256 177.249 176.000 -0.013 0.000 0.975 252 Q CA 1.001 56.797 55.803 -0.011 0.000 0.836 252 Q CB 0.059 28.790 28.738 -0.012 0.000 0.896 252 Q HN 0.808 nan 8.270 nan 0.000 0.428 253 G N 0.037 108.826 108.800 -0.019 0.000 2.911 253 G HA2 0.515 4.475 3.960 0.000 0.000 0.299 253 G HA3 0.515 4.475 3.960 0.000 0.000 0.299 253 G C -1.687 173.195 174.900 -0.030 0.000 1.283 253 G CA -0.782 44.305 45.100 -0.022 0.000 0.805 253 G HN 0.092 nan 8.290 nan 0.000 0.548 254 K N -1.333 119.043 120.400 -0.040 0.000 2.508 254 K HA 0.778 5.098 4.320 0.000 0.000 0.260 254 K C -0.415 176.119 176.600 -0.111 0.000 0.949 254 K CA -0.698 55.556 56.287 -0.055 0.000 0.834 254 K CB 2.240 34.730 32.500 -0.016 0.000 1.365 254 K HN 0.876 nan 8.250 nan 0.000 0.437 255 A N 1.780 124.467 122.820 -0.221 0.000 2.425 255 A HA 0.346 4.666 4.320 0.000 0.000 0.242 255 A C -0.505 176.870 177.584 -0.349 0.000 1.077 255 A CA 0.013 51.764 52.037 -0.477 0.000 0.781 255 A CB -0.505 17.862 19.000 -1.054 0.000 1.020 255 A HN 0.982 nan 8.150 nan 0.000 0.494 256 N N -1.836 116.702 118.700 -0.270 0.000 2.823 256 N HA 0.273 5.013 4.740 0.000 0.000 0.251 256 N C -0.278 175.369 175.510 0.230 0.000 1.392 256 N CA -0.655 52.460 53.050 0.109 0.000 0.864 256 N CB 0.586 39.120 38.487 0.077 0.000 1.481 256 N HN 0.469 nan 8.380 nan 0.000 0.508 257 H N -0.354 118.856 119.070 0.234 0.000 2.560 257 H HA 0.013 4.569 4.556 0.000 0.000 0.283 257 H C 0.954 176.346 175.328 0.108 0.000 1.028 257 H CA 1.226 57.390 56.048 0.193 0.000 1.221 257 H CB 0.201 30.046 29.762 0.139 0.000 1.363 257 H HN 0.772 nan 8.280 nan 0.000 0.594 258 E N 0.753 120.978 120.200 0.041 0.000 2.501 258 E HA -0.177 4.173 4.350 0.000 0.000 0.203 258 E C 1.290 177.852 176.600 -0.064 0.000 1.072 258 E CA 0.743 57.123 56.400 -0.034 0.000 0.885 258 E CB 0.152 29.850 29.700 -0.003 0.000 0.813 258 E HN 0.758 nan 8.360 nan 0.000 0.556 259 E N -0.376 119.793 120.200 -0.053 0.000 2.401 259 E HA -0.178 4.172 4.350 0.000 0.000 0.199 259 E C 1.841 178.406 176.600 -0.059 0.000 1.023 259 E CA 1.178 57.558 56.400 -0.033 0.000 0.859 259 E CB -0.620 29.094 29.700 0.024 0.000 0.780 259 E HN 0.288 nan 8.360 nan 0.000 0.523 260 V N -1.346 118.480 119.914 -0.145 0.000 2.913 260 V HA -0.104 4.016 4.120 0.000 0.000 0.260 260 V C 2.109 178.165 176.094 -0.064 0.000 1.098 260 V CA 1.227 63.450 62.300 -0.128 0.000 1.121 260 V CB -0.640 31.061 31.823 -0.204 0.000 0.714 260 V HN 0.286 nan 8.190 nan 0.000 0.487 261 L N 0.556 121.746 121.223 -0.054 0.000 2.093 261 L HA -0.040 4.300 4.340 0.000 0.000 0.208 261 L C 2.425 179.286 176.870 -0.015 0.000 1.085 261 L CA 1.930 56.753 54.840 -0.029 0.000 0.755 261 L CB -0.413 41.631 42.059 -0.024 0.000 0.904 261 L HN 0.261 nan 8.230 nan 0.000 0.435 262 E N -0.136 120.057 120.200 -0.012 0.000 2.152 262 E HA -0.040 4.310 4.350 0.000 0.000 0.192 262 E C 1.909 178.517 176.600 0.014 0.000 0.983 262 E CA 1.190 57.592 56.400 0.003 0.000 0.818 262 E CB -0.331 29.374 29.700 0.008 0.000 0.758 262 E HN 0.653 nan 8.360 nan 0.000 0.467 263 A N 0.169 122.995 122.820 0.010 0.000 1.972 263 A HA 0.283 4.603 4.320 0.000 0.000 0.219 263 A C 1.894 179.488 177.584 0.016 0.000 1.467 263 A CA 0.644 52.695 52.037 0.023 0.000 0.631 263 A CB -0.974 18.039 19.000 0.020 0.000 1.143 263 A HN 0.231 nan 8.150 nan 0.000 0.502 264 G N -0.726 108.073 108.800 -0.001 0.000 3.180 264 G HA2 0.397 4.357 3.960 0.000 0.000 0.252 264 G HA3 0.397 4.357 3.960 0.000 0.000 0.252 264 G C 0.299 175.198 174.900 -0.001 0.000 0.871 264 G CA 0.863 45.962 45.100 -0.002 0.000 1.979 264 G HN 0.517 nan 8.290 nan 0.000 0.624 265 K N -1.016 119.388 120.400 0.006 0.000 2.990 265 K HA -0.005 4.315 4.320 0.000 0.000 0.294 265 K C 1.790 178.395 176.600 0.008 0.000 2.999 265 K CA 0.071 56.361 56.287 0.004 0.000 1.605 265 K CB -0.712 31.787 32.500 -0.002 0.000 3.210 265 K HN 0.108 nan 8.250 nan 0.000 0.293 266 Q N 0.711 120.516 119.800 0.008 0.000 1.927 266 Q HA -0.087 4.253 4.340 0.000 0.000 0.210 266 Q C 0.635 176.645 176.000 0.017 0.000 1.001 266 Q CA 2.356 58.165 55.803 0.010 0.000 0.862 266 Q CB -0.216 28.527 28.738 0.009 0.000 0.934 266 Q HN 0.398 nan 8.270 nan 0.000 0.420 267 A N -0.474 122.363 122.820 0.028 0.000 2.640 267 A HA 0.473 4.793 4.320 0.000 0.000 0.282 267 A C 1.151 178.767 177.584 0.053 0.000 1.357 267 A CA 0.632 52.693 52.037 0.041 0.000 0.946 267 A CB -0.237 18.795 19.000 0.053 0.000 1.065 267 A HN 0.534 nan 8.150 nan 0.000 0.541 268 A N 0.716 123.560 122.820 0.040 0.000 1.825 268 A HA -0.145 4.175 4.320 0.000 0.000 0.214 268 A C 2.199 179.812 177.584 0.048 0.000 1.206 268 A CA 1.553 53.617 52.037 0.044 0.000 0.609 268 A CB -0.567 18.450 19.000 0.028 0.000 0.851 268 A HN 0.615 nan 8.150 nan 0.000 0.445 269 Q N 0.695 120.513 119.800 0.030 0.000 2.197 269 Q HA -0.250 4.090 4.340 0.000 0.000 0.207 269 Q C 1.761 177.777 176.000 0.027 0.000 0.984 269 Q CA 2.319 58.136 55.803 0.022 0.000 0.869 269 Q CB -0.615 28.126 28.738 0.005 0.000 0.906 269 Q HN 0.757 nan 8.270 nan 0.000 0.426 270 K N 0.913 121.330 120.400 0.028 0.000 1.973 270 K HA -0.123 4.197 4.320 0.000 0.000 0.210 270 K C 2.316 178.974 176.600 0.097 0.000 1.045 270 K CA 1.395 57.695 56.287 0.021 0.000 0.937 270 K CB -0.152 32.351 32.500 0.005 0.000 0.721 270 K HN 0.283 nan 8.250 nan 0.000 0.438 271 L N -0.021 121.289 121.223 0.146 0.000 2.201 271 L HA 0.031 4.371 4.340 0.000 0.000 0.212 271 L C 1.761 178.778 176.870 0.246 0.000 1.105 271 L CA 1.428 56.416 54.840 0.248 0.000 0.775 271 L CB -0.628 41.596 42.059 0.275 0.000 0.913 271 L HN 0.156 nan 8.230 nan 0.000 0.440 272 E N -0.008 120.288 120.200 0.160 0.000 2.072 272 E HA -0.246 4.104 4.350 0.000 0.000 0.191 272 E C 2.213 178.869 176.600 0.093 0.000 0.985 272 E CA 1.158 57.629 56.400 0.119 0.000 0.801 272 E CB -0.118 29.629 29.700 0.077 0.000 0.750 272 E HN 0.523 nan 8.360 nan 0.000 0.452 273 Q N 0.251 120.103 119.800 0.088 0.000 2.123 273 Q HA -0.140 4.200 4.340 0.000 0.000 0.199 273 Q C 1.738 177.793 176.000 0.091 0.000 0.966 273 Q CA 1.099 56.937 55.803 0.059 0.000 0.845 273 Q CB -0.345 28.411 28.738 0.029 0.000 0.907 273 Q HN 0.268 nan 8.270 nan 0.000 0.439 274 F N -0.358 119.583 119.950 -0.015 0.000 2.134 274 F HA -0.138 4.389 4.527 0.000 0.000 0.299 274 F C 1.711 177.511 175.800 -0.000 0.000 1.097 274 F CA 1.289 59.283 58.000 -0.010 0.000 1.264 274 F CB -0.396 38.614 39.000 0.018 0.000 1.001 274 F HN -0.028 nan 8.300 nan 0.000 0.479 275 V N 0.149 120.006 119.914 -0.096 0.000 2.548 275 V HA -0.218 3.902 4.120 0.000 0.000 0.249 275 V C 2.668 178.696 176.094 -0.111 0.000 1.055 275 V CA 1.645 63.867 62.300 -0.130 0.000 1.065 275 V CB -0.998 30.890 31.823 0.108 0.000 0.681 275 V HN 0.572 nan 8.190 nan 0.000 0.462 276 S N 0.375 116.043 115.700 -0.053 0.000 2.355 276 S HA -0.126 4.344 4.470 0.000 0.000 0.222 276 S C 2.000 176.554 174.600 -0.076 0.000 1.031 276 S CA 1.353 59.526 58.200 -0.045 0.000 0.993 276 S CB -0.612 62.579 63.200 -0.015 0.000 0.859 276 S HN 0.496 nan 8.310 nan 0.000 0.453 277 L N 0.232 121.403 121.223 -0.087 0.000 2.131 277 L HA 0.007 4.347 4.340 0.000 0.000 0.210 277 L C 2.518 179.299 176.870 -0.149 0.000 1.092 277 L CA 0.609 55.395 54.840 -0.090 0.000 0.759 277 L CB -0.564 41.462 42.059 -0.055 0.000 0.903 277 L HN 0.316 nan 8.230 nan 0.000 0.435 278 L N -0.405 120.665 121.223 -0.255 0.000 2.362 278 L HA -0.084 4.256 4.340 0.000 0.000 0.219 278 L C 1.579 178.318 176.870 -0.217 0.000 1.134 278 L CA 1.297 55.941 54.840 -0.327 0.000 0.807 278 L CB -0.312 41.429 42.059 -0.529 0.000 0.927 278 L HN 0.206 nan 8.230 nan 0.000 0.447 279 M N -0.802 118.709 119.600 -0.147 0.000 3.742 279 M HA 0.146 4.626 4.480 0.000 0.000 0.197 279 M C 1.345 177.596 176.300 -0.082 0.000 1.417 279 M CA 0.171 55.411 55.300 -0.101 0.000 1.653 279 M CB -0.877 31.682 32.600 -0.069 0.000 1.079 279 M HN 0.203 nan 8.290 nan 0.000 0.558 280 A N 0.931 123.696 122.820 -0.092 0.000 1.956 280 A HA 0.286 4.606 4.320 0.000 0.000 0.212 280 A C 0.736 178.287 177.584 -0.054 0.000 1.188 280 A CA 0.919 52.916 52.037 -0.067 0.000 0.675 280 A CB 0.326 19.285 19.000 -0.068 0.000 0.845 280 A HN 0.625 nan 8.150 nan 0.000 0.455 281 S N -2.481 113.181 115.700 -0.062 0.000 2.804 281 S HA 0.184 4.654 4.470 0.000 0.000 0.296 281 S C 0.225 174.793 174.600 -0.053 0.000 0.865 281 S CA -0.208 57.963 58.200 -0.047 0.000 0.809 281 S CB -0.757 62.422 63.200 -0.034 0.000 1.011 281 S HN 0.202 nan 8.310 nan 0.000 0.495 282 I N 0.742 121.287 120.570 -0.042 0.000 2.208 282 I HA -0.038 4.132 4.170 0.000 0.000 0.245 282 I C -1.340 174.759 176.117 -0.029 0.000 1.097 282 I CA 0.753 62.030 61.300 -0.038 0.000 1.363 282 I CB -1.276 36.711 38.000 -0.021 0.000 1.051 282 I HN 0.481 nan 8.210 nan 0.000 0.413 283 P HA -0.039 nan 4.420 nan 0.000 0.262 283 P C 0.905 178.196 177.300 -0.014 0.000 1.199 283 P CA 0.471 63.559 63.100 -0.020 0.000 0.763 283 P CB 0.846 32.536 31.700 -0.016 0.000 0.790 284 V N 3.286 123.191 119.914 -0.015 0.000 2.479 284 V HA -0.454 3.666 4.120 0.000 0.000 0.219 284 V C 0.533 176.628 176.094 0.001 0.000 1.028 284 V CA 2.870 65.166 62.300 -0.007 0.000 1.079 284 V CB -1.318 30.504 31.823 -0.003 0.000 0.999 284 V HN 0.861 nan 8.190 nan 0.000 0.480 285 S N -0.386 115.317 115.700 0.004 0.000 3.837 285 S HA 0.007 4.477 4.470 0.000 0.000 0.627 285 S C 0.076 174.694 174.600 0.028 0.000 0.633 285 S CA 0.647 58.855 58.200 0.012 0.000 1.421 285 S CB -1.731 61.477 63.200 0.012 0.000 0.844 285 S HN 1.986 nan 8.310 nan 0.000 0.880 286 G N 1.337 110.158 108.800 0.035 0.000 4.956 286 G HA2 0.559 4.519 3.960 0.000 0.000 0.290 286 G HA3 0.559 4.519 3.960 0.000 0.000 0.290 286 G C 0.173 175.148 174.900 0.124 0.000 1.352 286 G CA 0.582 45.721 45.100 0.066 0.000 0.983 286 G HN 0.970 nan 8.290 nan 0.000 0.581 287 H N -0.474 118.599 119.070 0.005 0.000 4.891 287 H HA -0.278 4.278 4.556 -0.000 0.000 0.059 287 H C -0.039 175.291 175.328 0.003 0.000 0.587 287 H CA 2.446 58.497 56.048 0.004 0.000 0.970 287 H CB -0.829 28.936 29.762 0.005 0.000 0.535 287 H HN 0.711 nan 8.280 nan 0.000 0.802 288 T N -0.364 114.035 114.554 -0.258 0.000 2.749 288 T HA 0.551 4.901 4.350 0.000 0.000 0.310 288 T C -0.617 174.043 174.700 -0.066 0.000 1.496 288 T CA 0.880 62.813 62.100 -0.278 0.000 1.006 288 T CB 1.215 69.791 68.868 -0.487 0.000 1.457 288 T HN 1.552 nan 8.240 nan 0.000 0.497 289 G N 0.000 108.766 108.800 -0.057 0.000 5.446 289 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 289 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 289 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 289 G HN 0.000 nan 8.290 nan 0.000 0.925