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 1s6q_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.349 177.300 0.082 0.000 1.155 1 P CA 0.000 63.130 63.100 0.051 0.000 0.800 1 P CB 0.000 31.718 31.700 0.030 0.000 0.726 2 I N 1.077 121.698 120.570 0.085 0.000 2.686 2 I HA 0.601 4.771 4.170 -0.000 0.000 0.295 2 I C -1.148 175.035 176.117 0.111 0.000 1.114 2 I CA -0.717 60.648 61.300 0.108 0.000 1.038 2 I CB 2.151 40.213 38.000 0.104 0.000 1.238 2 I HN 0.066 nan 8.210 nan 0.000 0.420 3 S N 6.421 122.206 115.700 0.142 0.000 2.681 3 S HA 0.608 5.078 4.470 -0.000 0.000 0.299 3 S C -2.302 172.399 174.600 0.168 0.000 1.113 3 S CA -1.287 57.016 58.200 0.172 0.000 1.013 3 S CB 1.524 64.885 63.200 0.268 0.000 1.076 3 S HN 0.591 nan 8.310 nan 0.000 0.534 4 P HA 0.283 nan 4.420 nan 0.000 0.249 4 P C -0.446 176.999 177.300 0.241 0.000 1.593 4 P CA -0.135 63.051 63.100 0.144 0.000 0.896 4 P CB -0.392 31.343 31.700 0.057 0.000 1.581 5 I N 0.200 120.931 120.570 0.268 0.000 2.634 5 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 5 I C 1.199 177.410 176.117 0.157 0.000 1.124 5 I CA -0.346 61.099 61.300 0.241 0.000 1.417 5 I CB 0.536 38.636 38.000 0.167 0.000 1.396 5 I HN 0.032 nan 8.210 nan 0.000 0.571 6 E N 4.074 124.351 120.200 0.128 0.000 2.383 6 E HA 0.119 4.469 4.350 -0.000 0.000 0.264 6 E C -0.350 176.300 176.600 0.083 0.000 1.050 6 E CA -0.536 55.923 56.400 0.098 0.000 0.896 6 E CB 0.888 30.636 29.700 0.081 0.000 0.982 6 E HN 0.665 nan 8.360 nan 0.000 0.424 7 T N -0.135 114.470 114.554 0.086 0.000 2.922 7 T HA 0.375 4.725 4.350 -0.000 0.000 0.285 7 T C -0.123 174.625 174.700 0.081 0.000 1.005 7 T CA -0.987 61.167 62.100 0.089 0.000 1.061 7 T CB 1.302 70.232 68.868 0.104 0.000 1.007 7 T HN 0.173 nan 8.240 nan 0.000 0.502 8 V N 4.911 124.878 119.914 0.088 0.000 2.406 8 V HA 0.367 4.487 4.120 -0.000 0.000 0.272 8 V C -1.691 174.465 176.094 0.102 0.000 1.043 8 V CA -1.751 60.600 62.300 0.086 0.000 0.915 8 V CB 0.769 32.651 31.823 0.098 0.000 0.988 8 V HN 0.861 nan 8.190 nan 0.000 0.466 9 P HA 0.271 nan 4.420 nan 0.000 0.276 9 P C -0.666 176.676 177.300 0.069 0.000 1.235 9 P CA 0.162 63.312 63.100 0.084 0.000 0.772 9 P CB 1.695 33.432 31.700 0.061 0.000 0.871 10 V N 3.864 123.823 119.914 0.075 0.000 3.229 10 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 10 V C 0.359 176.461 176.094 0.013 0.000 1.206 10 V CA -0.622 61.675 62.300 -0.006 0.000 1.051 10 V CB 1.940 33.739 31.823 -0.041 0.000 1.183 10 V HN 0.590 nan 8.190 nan 0.000 0.466 11 K N 0.186 120.561 120.400 -0.041 0.000 2.615 11 K HA 0.608 4.928 4.320 -0.000 0.000 0.291 11 K C -2.038 174.611 176.600 0.082 0.000 1.017 11 K CA -0.802 55.526 56.287 0.069 0.000 0.882 11 K CB 2.253 34.757 32.500 0.007 0.000 1.522 11 K HN 0.347 nan 8.250 nan 0.000 0.412 12 L N 2.021 123.294 121.223 0.082 0.000 2.325 12 L HA 0.419 4.759 4.340 -0.000 0.000 0.278 12 L C -0.062 176.813 176.870 0.008 0.000 1.023 12 L CA -0.852 54.015 54.840 0.045 0.000 0.811 12 L CB 1.313 43.331 42.059 -0.069 0.000 1.249 12 L HN 0.388 nan 8.230 nan 0.000 0.431 13 K N 2.932 123.334 120.400 0.003 0.000 2.604 13 K HA -0.146 4.174 4.320 -0.000 0.000 0.278 13 K C -1.562 175.039 176.600 0.003 0.000 0.975 13 K CA -0.680 55.603 56.287 -0.007 0.000 1.066 13 K CB -0.118 32.384 32.500 0.002 0.000 0.840 13 K HN 0.348 nan 8.250 nan 0.000 0.491 14 P HA -0.317 nan 4.420 nan 0.000 0.221 14 P C 1.146 178.458 177.300 0.021 0.000 0.967 14 P CA 2.354 65.458 63.100 0.007 0.000 1.038 14 P CB -0.049 31.653 31.700 0.003 0.000 0.731 15 G N -2.775 106.040 108.800 0.024 0.000 2.662 15 G HA2 0.095 4.055 3.960 -0.000 0.000 0.212 15 G HA3 0.095 4.055 3.960 -0.000 0.000 0.212 15 G C 0.702 175.629 174.900 0.045 0.000 1.141 15 G CA 0.007 45.128 45.100 0.034 0.000 0.797 15 G HN 0.161 nan 8.290 nan 0.000 0.531 16 M N 0.490 120.115 119.600 0.041 0.000 2.150 16 M HA 0.287 4.767 4.480 -0.000 0.000 0.278 16 M C -0.315 176.023 176.300 0.063 0.000 1.213 16 M CA 0.509 55.839 55.300 0.050 0.000 1.147 16 M CB 0.373 32.996 32.600 0.038 0.000 1.371 16 M HN 0.035 nan 8.290 nan 0.000 0.444 17 D N -1.064 119.385 120.400 0.082 0.000 2.596 17 D HA 0.482 5.122 4.640 -0.000 0.000 0.262 17 D C -0.566 175.787 176.300 0.088 0.000 1.210 17 D CA -0.150 53.927 54.000 0.129 0.000 0.873 17 D CB 1.341 42.284 40.800 0.238 0.000 1.408 17 D HN 0.718 nan 8.370 nan 0.000 0.441 18 G N 0.743 109.533 108.800 -0.017 0.000 2.464 18 G HA2 0.261 4.221 3.960 -0.000 0.000 0.231 18 G HA3 0.261 4.221 3.960 -0.000 0.000 0.231 18 G C -2.302 172.707 174.900 0.182 0.000 1.267 18 G CA -0.574 44.362 45.100 -0.273 0.000 0.863 18 G HN 0.352 nan 8.290 nan 0.000 0.559 19 P HA 0.235 nan 4.420 nan 0.000 0.276 19 P C -0.159 177.296 177.300 0.259 0.000 1.243 19 P CA 0.003 63.227 63.100 0.206 0.000 0.768 19 P CB 0.809 32.614 31.700 0.175 0.000 0.856 20 K N 2.138 122.661 120.400 0.205 0.000 2.981 20 K HA 0.205 4.524 4.320 -0.000 0.000 0.213 20 K C 0.254 176.911 176.600 0.095 0.000 1.154 20 K CA -0.416 55.962 56.287 0.151 0.000 1.111 20 K CB 0.247 32.825 32.500 0.130 0.000 0.975 20 K HN 0.317 nan 8.250 nan 0.000 0.462 21 V N -1.844 118.114 119.914 0.073 0.000 3.036 21 V HA 0.488 4.608 4.120 -0.000 0.000 0.308 21 V C -0.158 175.914 176.094 -0.035 0.000 1.070 21 V CA -0.538 61.784 62.300 0.037 0.000 1.056 21 V CB 1.358 33.198 31.823 0.028 0.000 1.084 21 V HN 0.142 nan 8.190 nan 0.000 0.471 22 K N 0.819 121.182 120.400 -0.062 0.000 2.430 22 K HA 0.691 5.011 4.320 -0.000 0.000 0.268 22 K C -1.293 175.160 176.600 -0.246 0.000 1.043 22 K CA -0.690 55.420 56.287 -0.294 0.000 0.899 22 K CB 1.848 34.196 32.500 -0.253 0.000 1.472 22 K HN 0.952 nan 8.250 nan 0.000 0.451 23 Q N 0.811 120.276 119.800 -0.558 0.000 2.795 23 Q HA 0.192 4.532 4.340 -0.000 0.000 0.225 23 Q C -1.826 174.027 176.000 -0.243 0.000 0.967 23 Q CA -0.286 55.426 55.803 -0.150 0.000 1.105 23 Q CB 0.681 29.380 28.738 -0.066 0.000 1.759 23 Q HN 0.705 nan 8.270 nan 0.000 0.514 24 W N 3.746 125.071 121.300 0.042 0.000 1.887 24 W HA 0.336 4.996 4.660 -0.000 0.000 0.324 24 W C -2.115 174.424 176.519 0.032 0.000 0.892 24 W CA -0.836 56.531 57.345 0.036 0.000 2.330 24 W CB -0.074 29.400 29.460 0.024 0.000 1.197 24 W HN 0.355 nan 8.180 nan 0.000 0.547 25 P HA 0.393 nan 4.420 nan 0.000 0.277 25 P C -0.595 176.772 177.300 0.112 0.000 1.276 25 P CA 0.095 63.282 63.100 0.145 0.000 0.788 25 P CB 1.850 33.627 31.700 0.128 0.000 1.114 26 L N -0.339 120.929 121.223 0.075 0.000 2.440 26 L HA 0.156 4.496 4.340 -0.000 0.000 0.261 26 L C -0.173 176.706 176.870 0.016 0.000 1.382 26 L CA -0.056 54.811 54.840 0.044 0.000 0.871 26 L CB 0.992 43.079 42.059 0.047 0.000 1.052 26 L HN 0.204 nan 8.230 nan 0.000 0.509 27 T N 1.164 115.719 114.554 0.001 0.000 2.961 27 T HA 0.035 4.385 4.350 -0.000 0.000 0.270 27 T C 1.397 176.067 174.700 -0.049 0.000 0.926 27 T CA -0.044 62.047 62.100 -0.016 0.000 1.112 27 T CB 0.040 68.896 68.868 -0.020 0.000 0.926 27 T HN 0.622 nan 8.240 nan 0.000 0.612 28 E N 2.003 122.180 120.200 -0.039 0.000 2.217 28 E HA -0.373 3.976 4.350 -0.000 0.000 0.219 28 E C 1.552 178.091 176.600 -0.102 0.000 1.070 28 E CA 1.717 58.084 56.400 -0.055 0.000 0.889 28 E CB -0.159 29.517 29.700 -0.041 0.000 0.768 28 E HN 0.501 nan 8.360 nan 0.000 0.465 29 E N 1.113 121.239 120.200 -0.122 0.000 2.047 29 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 29 E C 1.885 178.278 176.600 -0.344 0.000 0.987 29 E CA 1.362 57.637 56.400 -0.209 0.000 0.799 29 E CB 0.071 29.661 29.700 -0.182 0.000 0.752 29 E HN 0.264 nan 8.360 nan 0.000 0.449 30 K N 0.184 120.404 120.400 -0.300 0.000 1.978 30 K HA -0.128 4.192 4.320 -0.000 0.000 0.214 30 K C 2.007 178.431 176.600 -0.293 0.000 1.049 30 K CA 1.428 57.488 56.287 -0.378 0.000 0.939 30 K CB -0.393 31.979 32.500 -0.213 0.000 0.721 30 K HN 0.152 nan 8.250 nan 0.000 0.441 31 I N 2.038 122.506 120.570 -0.170 0.000 2.450 31 I HA -0.341 3.829 4.170 -0.000 0.000 0.260 31 I C 2.258 178.298 176.117 -0.128 0.000 1.145 31 I CA 1.597 62.830 61.300 -0.111 0.000 1.413 31 I CB -0.937 37.028 38.000 -0.058 0.000 1.090 31 I HN 0.314 nan 8.210 nan 0.000 0.445 32 K N 0.845 121.133 120.400 -0.186 0.000 2.021 32 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 32 K C 2.307 178.777 176.600 -0.217 0.000 1.047 32 K CA 1.130 57.312 56.287 -0.176 0.000 0.943 32 K CB 0.049 32.434 32.500 -0.190 0.000 0.725 32 K HN 0.181 nan 8.250 nan 0.000 0.439 33 A N 2.105 124.704 122.820 -0.368 0.000 1.869 33 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 33 A C 2.174 179.634 177.584 -0.207 0.000 1.203 33 A CA 1.828 53.629 52.037 -0.394 0.000 0.638 33 A CB -1.018 17.483 19.000 -0.832 0.000 0.831 33 A HN 0.342 nan 8.150 nan 0.000 0.450 34 L N -0.569 120.544 121.223 -0.184 0.000 2.012 34 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 34 L C 2.467 179.305 176.870 -0.053 0.000 1.073 34 L CA 1.461 56.241 54.840 -0.100 0.000 0.748 34 L CB -0.868 41.144 42.059 -0.079 0.000 0.891 34 L HN 0.263 nan 8.230 nan 0.000 0.431 35 V N -0.263 119.632 119.914 -0.032 0.000 2.759 35 V HA -0.211 3.908 4.120 -0.000 0.000 0.256 35 V C 2.288 178.375 176.094 -0.012 0.000 1.080 35 V CA 1.440 63.756 62.300 0.026 0.000 1.101 35 V CB -0.435 31.400 31.823 0.019 0.000 0.698 35 V HN 0.452 nan 8.190 nan 0.000 0.477 36 E N -0.392 119.771 120.200 -0.060 0.000 2.122 36 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 36 E C 2.165 178.724 176.600 -0.068 0.000 0.977 36 E CA 0.773 57.135 56.400 -0.064 0.000 0.820 36 E CB 0.046 29.695 29.700 -0.086 0.000 0.770 36 E HN 0.424 nan 8.360 nan 0.000 0.462 37 I N 1.042 121.563 120.570 -0.082 0.000 2.141 37 I HA -0.257 3.913 4.170 -0.000 0.000 0.236 37 I C 2.534 178.563 176.117 -0.147 0.000 1.071 37 I CA 0.826 62.066 61.300 -0.100 0.000 1.345 37 I CB -1.506 36.437 38.000 -0.096 0.000 1.066 37 I HN 0.239 nan 8.210 nan 0.000 0.406 38 C N 1.159 120.356 119.300 -0.171 0.000 2.385 38 C HA -0.262 4.198 4.460 -0.000 0.000 0.275 38 C C 3.127 177.932 174.990 -0.308 0.000 1.199 38 C CA 2.011 60.823 59.018 -0.343 0.000 1.782 38 C CB -1.592 25.941 27.740 -0.344 0.000 2.068 38 C HN 0.712 nan 8.230 nan 0.000 0.471 39 T N -0.393 114.084 114.554 -0.129 0.000 2.614 39 T HA -0.209 4.141 4.350 -0.000 0.000 0.263 39 T C 1.496 176.142 174.700 -0.090 0.000 1.055 39 T CA 1.870 63.929 62.100 -0.069 0.000 1.162 39 T CB -0.538 68.319 68.868 -0.018 0.000 0.863 39 T HN 0.401 nan 8.240 nan 0.000 0.414 40 E N 0.636 120.784 120.200 -0.087 0.000 2.273 40 E HA -0.025 4.325 4.350 -0.000 0.000 0.198 40 E C 2.041 178.575 176.600 -0.110 0.000 1.002 40 E CA 1.024 57.374 56.400 -0.083 0.000 0.828 40 E CB -0.475 29.177 29.700 -0.079 0.000 0.747 40 E HN 0.616 nan 8.360 nan 0.000 0.491 41 M N -0.993 118.513 119.600 -0.157 0.000 2.248 41 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 41 M C 2.224 178.440 176.300 -0.141 0.000 1.079 41 M CA 1.162 56.357 55.300 -0.176 0.000 1.150 41 M CB 0.018 32.473 32.600 -0.242 0.000 1.366 41 M HN 0.059 nan 8.290 nan 0.000 0.433 42 E N 0.656 120.753 120.200 -0.172 0.000 2.152 42 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 42 E C 1.937 178.515 176.600 -0.036 0.000 0.983 42 E CA 1.001 57.343 56.400 -0.097 0.000 0.818 42 E CB 0.079 29.740 29.700 -0.066 0.000 0.758 42 E HN 0.305 nan 8.360 nan 0.000 0.467 43 K N 0.603 120.979 120.400 -0.041 0.000 2.147 43 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 43 K C 1.439 178.029 176.600 -0.017 0.000 1.049 43 K CA 1.436 57.711 56.287 -0.020 0.000 0.936 43 K CB 0.083 32.568 32.500 -0.024 0.000 0.722 43 K HN 0.129 nan 8.250 nan 0.000 0.446 44 E N -1.078 119.105 120.200 -0.028 0.000 2.489 44 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 44 E C 0.609 177.213 176.600 0.007 0.000 1.057 44 E CA 0.330 56.721 56.400 -0.016 0.000 0.866 44 E CB 0.367 30.046 29.700 -0.035 0.000 0.916 44 E HN 0.600 nan 8.360 nan 0.000 0.500 45 G N 1.803 110.608 108.800 0.010 0.000 2.189 45 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.267 45 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.267 45 G C 0.938 175.878 174.900 0.066 0.000 0.975 45 G CA 0.829 45.950 45.100 0.036 0.000 0.644 45 G HN 0.283 nan 8.290 nan 0.000 0.537 46 K N -0.192 120.248 120.400 0.066 0.000 2.362 46 K HA 0.254 4.574 4.320 -0.000 0.000 0.200 46 K C 1.417 178.121 176.600 0.173 0.000 1.046 46 K CA 1.355 57.736 56.287 0.156 0.000 0.952 46 K CB -0.016 32.570 32.500 0.144 0.000 0.753 46 K HN 0.835 nan 8.250 nan 0.000 0.466 47 I N -5.113 115.482 120.570 0.041 0.000 3.279 47 I HA 0.448 4.618 4.170 -0.000 0.000 0.315 47 I C -1.105 175.015 176.117 0.006 0.000 1.187 47 I CA -1.109 60.184 61.300 -0.012 0.000 0.953 47 I CB 2.557 40.447 38.000 -0.183 0.000 1.279 47 I HN -0.408 nan 8.210 nan 0.000 0.465 48 S N 0.961 116.685 115.700 0.041 0.000 2.562 48 S HA 0.289 4.759 4.470 -0.000 0.000 0.274 48 S C -1.007 173.675 174.600 0.138 0.000 1.160 48 S CA -0.760 57.494 58.200 0.091 0.000 0.933 48 S CB 1.778 65.011 63.200 0.054 0.000 1.100 48 S HN 0.681 nan 8.310 nan 0.000 0.468 49 K N 3.464 123.977 120.400 0.189 0.000 2.437 49 K HA 0.192 4.512 4.320 -0.000 0.000 0.277 49 K C -0.600 175.971 176.600 -0.048 0.000 1.073 49 K CA 0.441 56.748 56.287 0.033 0.000 1.105 49 K CB 0.073 32.572 32.500 -0.003 0.000 0.881 49 K HN 0.621 nan 8.250 nan 0.000 0.475 50 I N 2.912 123.413 120.570 -0.115 0.000 2.740 50 I HA 0.553 4.723 4.170 -0.000 0.000 0.303 50 I C -0.312 175.730 176.117 -0.124 0.000 1.044 50 I CA -0.643 60.596 61.300 -0.101 0.000 1.064 50 I CB 1.953 39.892 38.000 -0.103 0.000 1.249 50 I HN 0.738 nan 8.210 nan 0.000 0.433 51 G N 4.469 113.213 108.800 -0.094 0.000 2.481 51 G HA2 0.560 4.520 3.960 -0.000 0.000 0.315 51 G HA3 0.560 4.520 3.960 -0.000 0.000 0.315 51 G C -2.805 172.048 174.900 -0.079 0.000 1.231 51 G CA -1.552 43.495 45.100 -0.089 0.000 0.968 51 G HN 0.413 nan 8.290 nan 0.000 0.482 52 P HA 0.001 nan 4.420 nan 0.000 0.247 52 P C -0.417 176.841 177.300 -0.071 0.000 1.115 52 P CA 1.160 64.218 63.100 -0.070 0.000 0.799 52 P CB 0.364 32.033 31.700 -0.052 0.000 0.721 53 E N 4.163 124.311 120.200 -0.088 0.000 3.653 53 E HA 0.050 4.400 4.350 -0.000 0.000 0.275 53 E C 0.322 176.846 176.600 -0.126 0.000 1.139 53 E CA -0.126 56.223 56.400 -0.085 0.000 1.227 53 E CB -1.015 28.645 29.700 -0.067 0.000 1.277 53 E HN 0.439 nan 8.360 nan 0.000 0.394 54 N N -1.155 117.445 118.700 -0.166 0.000 2.765 54 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 54 N C -2.090 173.138 175.510 -0.470 0.000 1.063 54 N CA 0.819 53.692 53.050 -0.296 0.000 0.862 54 N CB -2.320 35.982 38.487 -0.309 0.000 1.145 54 N HN 0.297 nan 8.380 nan 0.000 0.581 55 P HA -0.050 nan 4.420 nan 0.000 0.266 55 P C -0.571 176.608 177.300 -0.201 0.000 1.180 55 P CA 0.620 63.629 63.100 -0.152 0.000 0.765 55 P CB -0.026 31.616 31.700 -0.095 0.000 0.806 56 Y N 0.910 121.160 120.300 -0.085 0.000 2.402 56 Y HA 0.377 4.927 4.550 -0.000 0.000 0.332 56 Y C 0.951 176.842 175.900 -0.016 0.000 0.960 56 Y CA -0.908 57.179 58.100 -0.022 0.000 1.228 56 Y CB -0.060 38.418 38.460 0.030 0.000 1.120 56 Y HN 0.281 nan 8.280 nan 0.000 0.491 57 N N 1.373 120.122 118.700 0.082 0.000 2.294 57 N HA 0.561 5.301 4.740 -0.000 0.000 0.248 57 N C -0.640 174.891 175.510 0.035 0.000 1.300 57 N CA 0.339 53.399 53.050 0.017 0.000 0.925 57 N CB 0.633 39.053 38.487 -0.113 0.000 1.188 57 N HN 0.643 nan 8.380 nan 0.000 0.512 58 T N -0.357 114.195 114.554 -0.002 0.000 2.840 58 T HA 0.385 4.735 4.350 -0.000 0.000 0.317 58 T C -2.939 171.711 174.700 -0.084 0.000 1.401 58 T CA -1.028 61.048 62.100 -0.040 0.000 1.028 58 T CB 1.589 70.409 68.868 -0.081 0.000 1.317 58 T HN 0.261 nan 8.240 nan 0.000 0.495 59 P HA 0.354 nan 4.420 nan 0.000 0.268 59 P C -0.817 176.428 177.300 -0.091 0.000 1.204 59 P CA -0.301 62.742 63.100 -0.094 0.000 0.768 59 P CB 0.399 32.054 31.700 -0.074 0.000 0.842 60 V N 3.836 123.723 119.914 -0.044 0.000 2.994 60 V HA 0.700 4.820 4.120 -0.000 0.000 0.318 60 V C -0.304 175.874 176.094 0.140 0.000 1.085 60 V CA -0.346 61.930 62.300 -0.040 0.000 0.998 60 V CB 1.534 33.313 31.823 -0.075 0.000 1.063 60 V HN 0.509 nan 8.190 nan 0.000 0.447 61 F N -0.184 119.723 119.950 -0.072 0.000 2.900 61 F HA 0.762 5.289 4.527 -0.000 0.000 0.321 61 F C -1.133 174.685 175.800 0.030 0.000 1.160 61 F CA -0.248 57.747 58.000 -0.010 0.000 0.890 61 F CB 1.286 40.285 39.000 -0.002 0.000 1.334 61 F HN 0.742 nan 8.300 nan 0.000 0.459 62 A N 2.593 124.978 122.820 -0.726 0.000 2.520 62 A HA 0.877 5.197 4.320 -0.000 0.000 0.298 62 A C -1.778 175.567 177.584 -0.399 0.000 1.051 62 A CA -0.498 51.376 52.037 -0.271 0.000 0.690 62 A CB 1.380 20.362 19.000 -0.030 0.000 1.281 62 A HN 0.679 nan 8.150 nan 0.000 0.402 63 I N 0.296 120.841 120.570 -0.041 0.000 3.074 63 I HA 0.647 4.816 4.170 -0.000 0.000 0.310 63 I C -0.395 175.497 176.117 -0.374 0.000 1.153 63 I CA -0.838 60.417 61.300 -0.076 0.000 0.993 63 I CB 2.694 40.761 38.000 0.112 0.000 1.237 63 I HN 0.733 nan 8.210 nan 0.000 0.443 64 K N 2.650 122.806 120.400 -0.408 0.000 2.532 64 K HA 0.457 4.777 4.320 -0.000 0.000 0.265 64 K C -1.473 174.937 176.600 -0.316 0.000 0.948 64 K CA -0.808 55.128 56.287 -0.585 0.000 0.842 64 K CB 2.316 34.187 32.500 -1.048 0.000 1.392 64 K HN 0.570 nan 8.250 nan 0.000 0.436 65 K N 2.140 122.376 120.400 -0.274 0.000 2.416 65 K HA 0.298 4.618 4.320 -0.000 0.000 0.244 65 K C 0.238 176.745 176.600 -0.155 0.000 1.044 65 K CA -0.622 55.565 56.287 -0.167 0.000 0.972 65 K CB 0.997 33.423 32.500 -0.122 0.000 1.286 65 K HN 0.620 nan 8.250 nan 0.000 0.500 66 K N -0.451 119.885 120.400 -0.106 0.000 2.202 66 K HA -0.048 4.272 4.320 -0.000 0.000 0.201 66 K C 0.304 176.858 176.600 -0.077 0.000 1.051 66 K CA 0.699 56.934 56.287 -0.086 0.000 0.977 66 K CB 0.149 32.611 32.500 -0.063 0.000 0.792 66 K HN 0.566 nan 8.250 nan 0.000 0.469 67 D N 1.695 122.049 120.400 -0.076 0.000 2.690 67 D HA 0.013 4.653 4.640 -0.000 0.000 0.236 67 D C -0.626 175.631 176.300 -0.071 0.000 1.218 67 D CA -0.142 53.818 54.000 -0.067 0.000 0.829 67 D CB -0.105 40.651 40.800 -0.074 0.000 1.009 67 D HN 0.183 nan 8.370 nan 0.000 0.482 68 S N -1.404 114.244 115.700 -0.087 0.000 2.600 68 S HA 0.403 4.872 4.470 -0.000 0.000 0.265 68 S C 1.081 175.650 174.600 -0.051 0.000 1.325 68 S CA 0.118 58.259 58.200 -0.099 0.000 1.002 68 S CB 1.577 64.667 63.200 -0.183 0.000 0.921 68 S HN 0.274 nan 8.310 nan 0.000 0.554 69 T N -2.988 111.551 114.554 -0.025 0.000 3.419 69 T HA 0.298 4.648 4.350 -0.000 0.000 0.291 69 T C -0.114 174.628 174.700 0.070 0.000 0.865 69 T CA -0.499 61.615 62.100 0.024 0.000 0.861 69 T CB -0.375 68.507 68.868 0.022 0.000 1.229 69 T HN 0.707 nan 8.240 nan 0.000 0.727 70 K N -0.942 119.493 120.400 0.057 0.000 2.054 70 K HA 0.714 5.034 4.320 -0.000 0.000 0.248 70 K C -1.402 175.308 176.600 0.183 0.000 1.019 70 K CA -1.155 55.219 56.287 0.144 0.000 0.855 70 K CB 1.525 34.074 32.500 0.082 0.000 1.473 70 K HN 0.076 nan 8.250 nan 0.000 0.483 71 W N 0.318 121.594 121.300 -0.040 0.000 3.165 71 W HA 0.504 5.164 4.660 -0.000 0.000 0.351 71 W C -1.001 175.491 176.519 -0.045 0.000 1.164 71 W CA -0.475 56.840 57.345 -0.050 0.000 1.074 71 W CB 2.419 31.837 29.460 -0.070 0.000 1.499 71 W HN 0.278 nan 8.180 nan 0.000 0.600 72 R N 2.239 122.851 120.500 0.187 0.000 2.522 72 R HA 0.168 4.508 4.340 -0.000 0.000 0.283 72 R C -0.713 175.659 176.300 0.119 0.000 1.074 72 R CA -0.806 55.358 56.100 0.107 0.000 0.925 72 R CB 2.904 33.236 30.300 0.053 0.000 1.205 72 R HN 0.307 nan 8.270 nan 0.000 0.436 73 K N 3.526 123.972 120.400 0.077 0.000 2.276 73 K HA 0.255 4.575 4.320 -0.000 0.000 0.283 73 K C -1.115 175.550 176.600 0.109 0.000 1.044 73 K CA -0.356 55.960 56.287 0.048 0.000 0.944 73 K CB 0.704 33.182 32.500 -0.037 0.000 1.012 73 K HN 0.309 nan 8.250 nan 0.000 0.472 74 L N 6.165 127.475 121.223 0.145 0.000 2.485 74 L HA 0.267 4.606 4.340 -0.000 0.000 0.260 74 L C -1.163 175.779 176.870 0.121 0.000 0.998 74 L CA -0.591 54.355 54.840 0.176 0.000 0.883 74 L CB 1.419 43.611 42.059 0.221 0.000 1.196 74 L HN 0.425 nan 8.230 nan 0.000 0.443 75 V N 2.173 122.125 119.914 0.064 0.000 3.264 75 V HA 0.342 4.462 4.120 -0.000 0.000 0.304 75 V C -0.261 175.790 176.094 -0.071 0.000 1.086 75 V CA -0.362 61.876 62.300 -0.104 0.000 1.090 75 V CB 1.518 33.151 31.823 -0.316 0.000 1.112 75 V HN 0.701 nan 8.190 nan 0.000 0.472 76 D N -0.400 119.889 120.400 -0.185 0.000 2.469 76 D HA 0.432 5.072 4.640 -0.000 0.000 0.251 76 D C -0.318 175.942 176.300 -0.068 0.000 1.173 76 D CA -0.303 53.668 54.000 -0.048 0.000 0.882 76 D CB 0.836 41.606 40.800 -0.050 0.000 1.129 76 D HN 0.329 nan 8.370 nan 0.000 0.549 77 F N 1.893 121.903 119.950 0.100 0.000 2.660 77 F HA 0.252 4.779 4.527 -0.000 0.000 0.302 77 F C 2.096 177.968 175.800 0.121 0.000 1.103 77 F CA -0.324 57.756 58.000 0.133 0.000 1.340 77 F CB 0.194 39.306 39.000 0.186 0.000 1.048 77 F HN 0.206 nan 8.300 nan 0.000 0.551 78 R N 0.474 121.112 120.500 0.230 0.000 2.159 78 R HA -0.280 4.060 4.340 -0.000 0.000 0.252 78 R C 1.591 177.983 176.300 0.153 0.000 1.144 78 R CA 2.042 58.232 56.100 0.151 0.000 0.961 78 R CB -0.443 29.908 30.300 0.085 0.000 0.877 78 R HN 0.192 nan 8.270 nan 0.000 0.444 79 E N 0.144 120.435 120.200 0.152 0.000 2.502 79 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 79 E C 1.159 177.869 176.600 0.184 0.000 1.062 79 E CA 0.112 56.595 56.400 0.139 0.000 0.867 79 E CB 0.238 30.003 29.700 0.109 0.000 0.888 79 E HN 0.131 nan 8.360 nan 0.000 0.510 80 L N -0.202 121.184 121.223 0.271 0.000 2.269 80 L HA 0.177 4.516 4.340 -0.000 0.000 0.200 80 L C 1.225 178.291 176.870 0.327 0.000 1.069 80 L CA 1.196 56.235 54.840 0.330 0.000 0.804 80 L CB -0.516 41.858 42.059 0.526 0.000 0.987 80 L HN 0.018 nan 8.230 nan 0.000 0.468 81 N N 0.657 119.547 118.700 0.316 0.000 2.149 81 N HA -0.232 4.508 4.740 -0.000 0.000 0.188 81 N C 1.426 177.017 175.510 0.135 0.000 1.019 81 N CA 1.122 54.297 53.050 0.208 0.000 0.857 81 N CB -0.424 38.135 38.487 0.120 0.000 0.997 81 N HN 0.380 nan 8.380 nan 0.000 0.426 82 K N 0.985 121.460 120.400 0.125 0.000 2.665 82 K HA 0.045 4.365 4.320 -0.000 0.000 0.196 82 K C 0.595 177.247 176.600 0.086 0.000 1.021 82 K CA 0.324 56.662 56.287 0.086 0.000 1.066 82 K CB 0.171 32.718 32.500 0.078 0.000 0.849 82 K HN 0.140 nan 8.250 nan 0.000 0.500 83 R N -0.653 119.915 120.500 0.113 0.000 2.551 83 R HA 0.035 4.375 4.340 -0.000 0.000 0.316 83 R C -0.172 176.192 176.300 0.106 0.000 0.934 83 R CA 0.098 56.253 56.100 0.091 0.000 1.117 83 R CB 1.109 31.455 30.300 0.078 0.000 1.626 83 R HN 0.139 nan 8.270 nan 0.000 0.513 84 T N 0.129 114.780 114.554 0.162 0.000 2.909 84 T HA 0.196 4.546 4.350 -0.000 0.000 0.286 84 T C 0.497 175.194 174.700 -0.004 0.000 1.002 84 T CA -0.855 61.344 62.100 0.165 0.000 1.074 84 T CB 1.668 70.722 68.868 0.309 0.000 0.984 84 T HN 0.157 nan 8.240 nan 0.000 0.495 85 Q N 1.941 121.662 119.800 -0.132 0.000 2.861 85 Q HA 0.048 4.388 4.340 -0.000 0.000 0.240 85 Q C -0.834 174.927 176.000 -0.400 0.000 1.162 85 Q CA -0.100 55.531 55.803 -0.287 0.000 1.078 85 Q CB 0.217 28.705 28.738 -0.418 0.000 1.349 85 Q HN 0.625 nan 8.270 nan 0.000 0.595 86 D N -0.271 119.901 120.400 -0.379 0.000 2.294 86 D HA 0.430 5.070 4.640 -0.000 0.000 0.250 86 D C -0.815 175.185 176.300 -0.501 0.000 1.058 86 D CA -0.104 53.740 54.000 -0.261 0.000 0.950 86 D CB 0.682 41.417 40.800 -0.109 0.000 1.158 86 D HN 0.333 nan 8.370 nan 0.000 0.453 87 F N -0.564 119.324 119.950 -0.104 0.000 2.631 87 F HA 0.273 4.800 4.527 -0.000 0.000 0.328 87 F C 0.132 175.970 175.800 0.064 0.000 1.067 87 F CA -1.237 56.725 58.000 -0.062 0.000 0.969 87 F CB 1.045 39.942 39.000 -0.170 0.000 1.332 87 F HN 0.263 nan 8.300 nan 0.000 0.490 88 W N 3.824 125.166 121.300 0.069 0.000 2.565 88 W HA 0.176 4.836 4.660 -0.000 0.000 0.325 88 W C 0.121 176.640 176.519 0.001 0.000 1.408 88 W CA -0.745 56.605 57.345 0.008 0.000 1.350 88 W CB 0.463 29.918 29.460 -0.008 0.000 1.426 88 W HN 0.700 nan 8.180 nan 0.000 0.538 89 E N 2.234 122.076 120.200 -0.596 0.000 2.521 89 E HA -0.123 4.227 4.350 -0.000 0.000 0.269 89 E C 0.565 176.766 176.600 -0.666 0.000 1.182 89 E CA 0.799 56.842 56.400 -0.596 0.000 1.053 89 E CB 0.232 29.562 29.700 -0.616 0.000 1.013 89 E HN 0.296 nan 8.360 nan 0.000 0.470 90 V N -3.007 116.670 119.914 -0.395 0.000 3.359 90 V HA 0.130 4.250 4.120 -0.000 0.000 0.245 90 V C 0.461 176.445 176.094 -0.184 0.000 1.247 90 V CA -0.021 62.114 62.300 -0.274 0.000 1.145 90 V CB -0.017 31.702 31.823 -0.173 0.000 0.906 90 V HN 0.513 nan 8.190 nan 0.000 0.464 91 Q N 1.655 121.361 119.800 -0.156 0.000 2.916 91 Q HA 0.396 4.736 4.340 -0.000 0.000 0.314 91 Q C 1.016 176.956 176.000 -0.100 0.000 1.194 91 Q CA -0.213 55.549 55.803 -0.067 0.000 1.079 91 Q CB 1.217 29.955 28.738 -0.001 0.000 1.322 91 Q HN 0.612 nan 8.270 nan 0.000 0.500 92 L N 0.347 121.488 121.223 -0.136 0.000 1.991 92 L HA -0.108 4.232 4.340 -0.000 0.000 0.221 92 L C 0.552 177.387 176.870 -0.058 0.000 1.079 92 L CA 2.436 57.206 54.840 -0.116 0.000 0.778 92 L CB -0.191 41.825 42.059 -0.073 0.000 0.893 92 L HN 0.427 nan 8.230 nan 0.000 0.437 93 G N -1.717 107.064 108.800 -0.031 0.000 2.703 93 G HA2 0.489 4.449 3.960 -0.000 0.000 0.294 93 G HA3 0.489 4.449 3.960 -0.000 0.000 0.294 93 G C -1.533 173.365 174.900 -0.002 0.000 1.451 93 G CA -0.592 44.496 45.100 -0.019 0.000 0.869 93 G HN 0.152 nan 8.290 nan 0.000 0.516 94 I N 2.444 123.006 120.570 -0.014 0.000 2.519 94 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 94 I C -1.273 174.832 176.117 -0.021 0.000 1.047 94 I CA -1.560 59.736 61.300 -0.008 0.000 1.381 94 I CB 1.688 39.626 38.000 -0.105 0.000 1.417 94 I HN 0.276 nan 8.210 nan 0.000 0.540 95 P HA 0.047 nan 4.420 nan 0.000 0.271 95 P C -1.150 176.084 177.300 -0.110 0.000 1.218 95 P CA 0.026 63.080 63.100 -0.076 0.000 0.780 95 P CB 0.478 32.084 31.700 -0.157 0.000 0.901 96 H N 2.982 121.858 119.070 -0.324 0.000 2.488 96 H HA 0.211 4.767 4.556 -0.000 0.000 0.322 96 H C -1.335 173.622 175.328 -0.618 0.000 1.078 96 H CA -2.267 53.501 56.048 -0.466 0.000 1.260 96 H CB 1.668 31.166 29.762 -0.439 0.000 1.425 96 H HN 0.202 nan 8.280 nan 0.000 0.471 97 P HA -0.188 nan 4.420 nan 0.000 0.219 97 P C 1.037 177.860 177.300 -0.795 0.000 1.146 97 P CA 1.276 63.919 63.100 -0.763 0.000 0.808 97 P CB 0.032 31.109 31.700 -1.038 0.000 0.779 98 A N -0.109 122.154 122.820 -0.927 0.000 2.186 98 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 98 A C 1.993 179.595 177.584 0.030 0.000 1.159 98 A CA 1.609 53.416 52.037 -0.384 0.000 0.680 98 A CB -1.288 17.346 19.000 -0.611 0.000 0.787 98 A HN 0.341 nan 8.150 nan 0.000 0.467 99 G N -1.085 107.567 108.800 -0.246 0.000 4.100 99 G HA2 0.476 4.436 3.960 -0.000 0.000 0.294 99 G HA3 0.476 4.436 3.960 -0.000 0.000 0.294 99 G C -0.124 174.703 174.900 -0.121 0.000 1.040 99 G CA -0.314 44.713 45.100 -0.122 0.000 0.829 99 G HN 0.263 nan 8.290 nan 0.000 0.505 100 L N 0.860 121.920 121.223 -0.272 0.000 2.307 100 L HA 0.476 4.816 4.340 -0.000 0.000 0.282 100 L C -0.292 176.331 176.870 -0.410 0.000 1.051 100 L CA -0.972 53.590 54.840 -0.464 0.000 0.804 100 L CB 1.758 43.333 42.059 -0.807 0.000 1.197 100 L HN -0.049 nan 8.230 nan 0.000 0.431 101 K N 2.839 123.102 120.400 -0.228 0.000 2.218 101 K HA 0.215 4.535 4.320 -0.000 0.000 0.276 101 K C -0.321 176.238 176.600 -0.067 0.000 1.022 101 K CA -0.470 55.776 56.287 -0.069 0.000 0.946 101 K CB 0.718 33.203 32.500 -0.025 0.000 1.000 101 K HN 0.286 nan 8.250 nan 0.000 0.468 102 K N 2.011 122.521 120.400 0.183 0.000 2.380 102 K HA 0.027 4.347 4.320 -0.000 0.000 0.267 102 K C -0.409 176.289 176.600 0.164 0.000 0.990 102 K CA 0.290 56.790 56.287 0.354 0.000 0.946 102 K CB 0.468 33.151 32.500 0.305 0.000 0.937 102 K HN 0.284 nan 8.250 nan 0.000 0.491 103 K N 2.316 122.824 120.400 0.180 0.000 2.495 103 K HA 0.244 4.564 4.320 -0.000 0.000 0.268 103 K C 0.062 176.721 176.600 0.099 0.000 1.008 103 K CA -0.907 55.445 56.287 0.108 0.000 0.882 103 K CB 1.326 33.876 32.500 0.084 0.000 1.443 103 K HN 0.354 nan 8.250 nan 0.000 0.447 104 K N 0.854 121.293 120.400 0.066 0.000 2.019 104 K HA 0.110 4.430 4.320 -0.000 0.000 0.209 104 K C 0.803 177.407 176.600 0.007 0.000 1.032 104 K CA 1.066 57.377 56.287 0.039 0.000 0.947 104 K CB -0.460 32.057 32.500 0.029 0.000 0.757 104 K HN 0.758 nan 8.250 nan 0.000 0.444 105 S N -0.021 115.628 115.700 -0.085 0.000 2.536 105 S HA 0.697 5.167 4.470 -0.000 0.000 0.298 105 S C 0.011 174.474 174.600 -0.228 0.000 1.083 105 S CA -1.008 57.051 58.200 -0.234 0.000 0.995 105 S CB 2.186 65.079 63.200 -0.512 0.000 1.058 105 S HN -0.101 nan 8.310 nan 0.000 0.488 106 V N 0.762 120.653 119.914 -0.039 0.000 3.184 106 V HA 0.891 5.011 4.120 -0.000 0.000 0.308 106 V C -0.320 175.941 176.094 0.279 0.000 1.243 106 V CA -0.681 61.701 62.300 0.136 0.000 1.058 106 V CB 1.986 33.861 31.823 0.085 0.000 1.183 106 V HN 1.152 nan 8.190 nan 0.000 0.471 107 T N 0.446 115.165 114.554 0.275 0.000 3.168 107 T HA 0.431 4.781 4.350 -0.000 0.000 0.373 107 T C -1.279 173.477 174.700 0.094 0.000 1.681 107 T CA -0.489 61.781 62.100 0.284 0.000 1.135 107 T CB 1.437 70.496 68.868 0.318 0.000 1.477 107 T HN 1.056 nan 8.240 nan 0.000 0.480 108 V N 0.778 120.724 119.914 0.054 0.000 2.604 108 V HA 0.883 5.003 4.120 -0.000 0.000 0.305 108 V C -1.006 175.070 176.094 -0.029 0.000 1.043 108 V CA -1.020 61.185 62.300 -0.159 0.000 0.888 108 V CB 1.598 33.169 31.823 -0.421 0.000 0.995 108 V HN 0.844 nan 8.190 nan 0.000 0.429 109 L N 2.753 123.965 121.223 -0.017 0.000 2.322 109 L HA 0.583 4.923 4.340 -0.000 0.000 0.281 109 L C -0.528 176.359 176.870 0.028 0.000 1.014 109 L CA -0.540 54.310 54.840 0.017 0.000 0.815 109 L CB 1.823 43.896 42.059 0.024 0.000 1.247 109 L HN 0.737 nan 8.230 nan 0.000 0.421 110 D N 1.970 122.388 120.400 0.031 0.000 2.348 110 D HA 0.265 4.905 4.640 -0.000 0.000 0.253 110 D C 0.403 176.731 176.300 0.047 0.000 1.161 110 D CA -0.111 53.915 54.000 0.043 0.000 0.876 110 D CB 1.428 42.250 40.800 0.037 0.000 1.160 110 D HN 0.313 nan 8.370 nan 0.000 0.459 111 V N 1.729 121.681 119.914 0.063 0.000 3.166 111 V HA 0.447 4.567 4.120 -0.000 0.000 0.332 111 V C 1.594 177.688 176.094 -0.001 0.000 1.434 111 V CA 0.176 62.516 62.300 0.066 0.000 1.121 111 V CB 0.371 32.290 31.823 0.160 0.000 1.062 111 V HN 0.504 nan 8.190 nan 0.000 0.489 112 G N 2.548 111.352 108.800 0.007 0.000 2.480 112 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 112 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 112 G C 1.215 176.074 174.900 -0.069 0.000 1.200 112 G CA 1.476 46.576 45.100 -0.000 0.000 0.782 112 G HN 0.706 nan 8.290 nan 0.000 0.554 113 D N 1.835 122.200 120.400 -0.059 0.000 2.191 113 D HA -0.274 4.366 4.640 -0.000 0.000 0.195 113 D C 2.493 178.704 176.300 -0.148 0.000 1.003 113 D CA 1.716 55.665 54.000 -0.084 0.000 0.867 113 D CB -0.874 39.908 40.800 -0.029 0.000 0.926 113 D HN 0.383 nan 8.370 nan 0.000 0.450 114 A N 1.627 124.377 122.820 -0.116 0.000 1.923 114 A HA -0.311 4.009 4.320 -0.000 0.000 0.222 114 A C 2.292 179.792 177.584 -0.140 0.000 1.258 114 A CA 2.829 54.814 52.037 -0.087 0.000 0.670 114 A CB -2.026 16.933 19.000 -0.067 0.000 0.834 114 A HN 0.673 nan 8.150 nan 0.000 0.470 115 Y N -3.266 116.768 120.300 -0.443 0.000 2.651 115 Y HA 0.086 4.636 4.550 -0.000 0.000 0.293 115 Y C 1.405 177.114 175.900 -0.319 0.000 1.151 115 Y CA 0.821 58.660 58.100 -0.435 0.000 1.362 115 Y CB -0.749 37.343 38.460 -0.614 0.000 0.973 115 Y HN 0.199 nan 8.280 nan 0.000 0.561 116 F N -0.239 119.534 119.950 -0.295 0.000 2.693 116 F HA 0.160 4.687 4.527 -0.000 0.000 0.303 116 F C 1.710 177.497 175.800 -0.022 0.000 1.097 116 F CA 0.098 58.007 58.000 -0.152 0.000 1.330 116 F CB 0.376 39.230 39.000 -0.242 0.000 1.067 116 F HN 0.062 nan 8.300 nan 0.000 0.565 117 S N -1.116 114.663 115.700 0.132 0.000 2.497 117 S HA 0.148 4.618 4.470 -0.000 0.000 0.218 117 S C 0.580 175.274 174.600 0.156 0.000 1.023 117 S CA -0.042 58.242 58.200 0.141 0.000 0.913 117 S CB 0.432 63.709 63.200 0.129 0.000 0.800 117 S HN -0.140 nan 8.310 nan 0.000 0.505 118 V N 4.419 124.430 119.914 0.162 0.000 2.461 118 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 118 V C -2.511 173.669 176.094 0.144 0.000 1.047 118 V CA -2.150 60.251 62.300 0.168 0.000 0.955 118 V CB 0.803 32.755 31.823 0.214 0.000 0.988 118 V HN 0.088 nan 8.190 nan 0.000 0.471 119 P HA 0.137 nan 4.420 nan 0.000 0.267 119 P C -0.683 176.691 177.300 0.123 0.000 1.200 119 P CA -0.111 63.067 63.100 0.130 0.000 0.772 119 P CB 0.561 32.335 31.700 0.124 0.000 0.855 120 L N 2.546 123.841 121.223 0.121 0.000 2.325 120 L HA 0.412 4.752 4.340 -0.000 0.000 0.278 120 L C -0.061 176.890 176.870 0.134 0.000 1.023 120 L CA -0.807 54.100 54.840 0.111 0.000 0.811 120 L CB 1.127 43.226 42.059 0.066 0.000 1.249 120 L HN 0.206 nan 8.230 nan 0.000 0.431 121 D N 2.947 123.439 120.400 0.152 0.000 2.554 121 D HA -0.111 4.528 4.640 -0.000 0.000 0.251 121 D C 1.119 177.531 176.300 0.187 0.000 1.213 121 D CA 0.560 54.659 54.000 0.166 0.000 0.900 121 D CB 0.813 41.722 40.800 0.181 0.000 1.135 121 D HN 0.698 nan 8.370 nan 0.000 0.522 122 E N 3.235 123.522 120.200 0.146 0.000 2.160 122 E HA -0.321 4.029 4.350 -0.000 0.000 0.237 122 E C 0.938 177.630 176.600 0.153 0.000 1.069 122 E CA 2.327 58.806 56.400 0.130 0.000 0.950 122 E CB -0.231 29.531 29.700 0.104 0.000 0.832 122 E HN 0.622 nan 8.360 nan 0.000 0.496 123 D N -1.339 119.161 120.400 0.168 0.000 2.393 123 D HA -0.171 4.469 4.640 -0.000 0.000 0.220 123 D C 0.904 177.384 176.300 0.299 0.000 0.974 123 D CA 0.711 54.826 54.000 0.192 0.000 0.931 123 D CB -0.183 40.732 40.800 0.191 0.000 0.889 123 D HN 0.244 nan 8.370 nan 0.000 0.512 124 F N 0.054 120.104 119.950 0.165 0.000 2.654 124 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 124 F C 1.761 177.662 175.800 0.168 0.000 1.099 124 F CA -0.431 57.717 58.000 0.246 0.000 1.270 124 F CB 0.294 39.370 39.000 0.127 0.000 1.024 124 F HN -0.297 nan 8.300 nan 0.000 0.548 125 R N 0.809 121.400 120.500 0.151 0.000 2.075 125 R HA -0.088 4.252 4.340 -0.000 0.000 0.226 125 R C 2.205 178.485 176.300 -0.033 0.000 1.114 125 R CA 1.456 57.603 56.100 0.079 0.000 0.972 125 R CB -0.309 30.047 30.300 0.093 0.000 0.869 125 R HN 0.275 nan 8.270 nan 0.000 0.437 126 K N -0.003 120.314 120.400 -0.137 0.000 2.520 126 K HA -0.203 4.117 4.320 -0.000 0.000 0.198 126 K C 0.631 176.979 176.600 -0.420 0.000 1.045 126 K CA 1.613 57.738 56.287 -0.270 0.000 0.934 126 K CB -0.131 32.151 32.500 -0.364 0.000 0.766 126 K HN 0.310 nan 8.250 nan 0.000 0.483 127 Y N 1.178 121.282 120.300 -0.326 0.000 2.507 127 Y HA 0.037 4.587 4.550 -0.000 0.000 0.263 127 Y C 2.256 178.080 175.900 -0.126 0.000 1.093 127 Y CA 0.775 58.627 58.100 -0.413 0.000 1.285 127 Y CB 0.301 38.232 38.460 -0.881 0.000 1.115 127 Y HN 0.224 nan 8.280 nan 0.000 0.533 128 T N -1.201 113.419 114.554 0.110 0.000 3.163 128 T HA 0.188 4.538 4.350 -0.000 0.000 0.260 128 T C 1.002 175.935 174.700 0.390 0.000 1.156 128 T CA 0.228 62.572 62.100 0.405 0.000 1.072 128 T CB -0.720 68.437 68.868 0.482 0.000 0.937 128 T HN 0.228 nan 8.240 nan 0.000 0.528 129 A N 1.979 124.878 122.820 0.132 0.000 2.548 129 A HA 0.493 4.813 4.320 -0.000 0.000 0.247 129 A C 0.057 177.645 177.584 0.006 0.000 1.067 129 A CA -0.441 51.566 52.037 -0.051 0.000 0.757 129 A CB -0.725 18.244 19.000 -0.052 0.000 0.996 129 A HN 0.665 nan 8.150 nan 0.000 0.504 130 F N -0.190 119.767 119.950 0.011 0.000 2.650 130 F HA 0.878 5.405 4.527 -0.000 0.000 0.320 130 F C -0.259 175.504 175.800 -0.061 0.000 1.091 130 F CA -1.093 56.877 58.000 -0.051 0.000 0.962 130 F CB 1.383 40.351 39.000 -0.053 0.000 1.363 130 F HN 0.267 nan 8.300 nan 0.000 0.482 131 T N 2.716 117.385 114.554 0.192 0.000 2.928 131 T HA 0.455 4.805 4.350 -0.000 0.000 0.296 131 T C -1.270 173.495 174.700 0.108 0.000 1.000 131 T CA -0.370 61.769 62.100 0.065 0.000 0.989 131 T CB 1.420 70.225 68.868 -0.106 0.000 1.005 131 T HN 0.854 nan 8.240 nan 0.000 0.442 132 I N 6.062 126.724 120.570 0.153 0.000 2.330 132 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 132 I C -2.188 173.968 176.117 0.066 0.000 1.001 132 I CA -2.886 58.478 61.300 0.107 0.000 1.193 132 I CB 1.715 39.807 38.000 0.153 0.000 1.345 132 I HN 0.323 nan 8.210 nan 0.000 0.461 133 P HA 0.062 nan 4.420 nan 0.000 0.267 133 P C -0.195 177.138 177.300 0.054 0.000 1.200 133 P CA -0.018 63.140 63.100 0.096 0.000 0.772 133 P CB 1.267 33.053 31.700 0.143 0.000 0.855 134 S N 1.601 117.328 115.700 0.044 0.000 2.315 134 S HA 0.081 4.551 4.470 -0.000 0.000 0.211 134 S C 1.609 176.215 174.600 0.009 0.000 1.029 134 S CA 0.850 59.060 58.200 0.018 0.000 0.956 134 S CB -0.269 62.936 63.200 0.008 0.000 0.918 134 S HN 0.535 nan 8.310 nan 0.000 0.470 135 I N -1.905 118.673 120.570 0.013 0.000 3.351 135 I HA 0.151 4.321 4.170 -0.000 0.000 0.268 135 I C 1.305 177.429 176.117 0.012 0.000 1.047 135 I CA -0.033 61.271 61.300 0.005 0.000 1.570 135 I CB 0.112 38.108 38.000 -0.006 0.000 1.877 135 I HN 0.142 nan 8.210 nan 0.000 0.373 136 N N 0.155 118.860 118.700 0.008 0.000 2.871 136 N HA 0.202 4.942 4.740 -0.000 0.000 0.204 136 N C -0.186 175.325 175.510 0.002 0.000 1.233 136 N CA 0.252 53.304 53.050 0.004 0.000 1.124 136 N CB 1.054 39.539 38.487 -0.004 0.000 1.414 136 N HN 0.027 nan 8.380 nan 0.000 0.511 137 N N 0.305 119.001 118.700 -0.007 0.000 2.570 137 N HA 0.100 4.840 4.740 -0.000 0.000 0.261 137 N C -0.888 174.610 175.510 -0.020 0.000 1.540 137 N CA 0.073 53.114 53.050 -0.015 0.000 0.959 137 N CB 0.638 39.105 38.487 -0.034 0.000 1.449 137 N HN 0.169 nan 8.380 nan 0.000 0.519 138 E N -0.494 119.698 120.200 -0.014 0.000 2.389 138 E HA 0.151 4.501 4.350 -0.000 0.000 0.199 138 E C -0.216 176.376 176.600 -0.012 0.000 0.978 138 E CA 0.846 57.236 56.400 -0.017 0.000 0.912 138 E CB 0.538 30.228 29.700 -0.016 0.000 0.907 138 E HN 0.448 nan 8.360 nan 0.000 0.494 139 T N -1.579 112.974 114.554 -0.003 0.000 2.829 139 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 139 T C -2.162 172.559 174.700 0.034 0.000 0.999 139 T CA -1.916 60.187 62.100 0.005 0.000 0.983 139 T CB 2.051 70.915 68.868 -0.006 0.000 0.968 139 T HN -0.290 nan 8.240 nan 0.000 0.446 140 P HA 0.184 nan 4.420 nan 0.000 0.221 140 P C 0.887 178.287 177.300 0.167 0.000 1.145 140 P CA 1.563 64.762 63.100 0.165 0.000 0.795 140 P CB -0.192 31.630 31.700 0.204 0.000 0.775 141 G N -1.172 107.669 108.800 0.068 0.000 2.302 141 G HA2 0.063 4.023 3.960 -0.000 0.000 0.276 141 G HA3 0.063 4.023 3.960 -0.000 0.000 0.276 141 G C -1.790 173.084 174.900 -0.043 0.000 1.316 141 G CA -0.547 44.571 45.100 0.030 0.000 0.988 141 G HN 0.197 nan 8.290 nan 0.000 0.479 142 I N 0.061 120.578 120.570 -0.089 0.000 2.353 142 I HA 0.839 5.009 4.170 -0.000 0.000 0.293 142 I C 0.202 176.092 176.117 -0.379 0.000 0.992 142 I CA -0.907 60.244 61.300 -0.248 0.000 1.268 142 I CB 1.352 39.205 38.000 -0.245 0.000 1.387 142 I HN 0.640 nan 8.210 nan 0.000 0.478 143 R N 5.671 125.873 120.500 -0.496 0.000 2.310 143 R HA 0.530 4.870 4.340 -0.000 0.000 0.324 143 R C -1.650 174.272 176.300 -0.631 0.000 0.955 143 R CA -0.328 55.489 56.100 -0.473 0.000 0.830 143 R CB 0.787 30.925 30.300 -0.271 0.000 1.154 143 R HN 0.627 nan 8.270 nan 0.000 0.458 144 Y N 0.867 120.887 120.300 -0.468 0.000 2.675 144 Y HA 0.490 5.039 4.550 -0.000 0.000 0.328 144 Y C -0.133 175.293 175.900 -0.790 0.000 1.092 144 Y CA -0.778 56.966 58.100 -0.594 0.000 1.190 144 Y CB 1.557 39.691 38.460 -0.543 0.000 1.350 144 Y HN 0.439 nan 8.280 nan 0.000 0.525 145 Q N -0.107 119.499 119.800 -0.324 0.000 2.391 145 Q HA 0.366 4.706 4.340 -0.000 0.000 0.279 145 Q C -2.219 173.760 176.000 -0.036 0.000 1.028 145 Q CA -0.774 54.910 55.803 -0.199 0.000 0.836 145 Q CB 1.640 30.325 28.738 -0.087 0.000 1.414 145 Q HN 0.670 nan 8.270 nan 0.000 0.397 146 Y N 2.244 122.615 120.300 0.118 0.000 2.319 146 Y HA 0.223 4.773 4.550 -0.000 0.000 0.328 146 Y C 0.890 176.862 175.900 0.120 0.000 1.133 146 Y CA 0.347 58.559 58.100 0.187 0.000 1.265 146 Y CB 1.008 39.612 38.460 0.241 0.000 1.218 146 Y HN 0.684 nan 8.280 nan 0.000 0.508 147 N N 1.007 119.922 118.700 0.357 0.000 2.227 147 N HA 0.066 4.806 4.740 -0.000 0.000 0.196 147 N C 0.228 175.868 175.510 0.217 0.000 1.142 147 N CA 0.574 53.760 53.050 0.227 0.000 0.887 147 N CB 0.740 39.329 38.487 0.170 0.000 1.022 147 N HN 0.467 nan 8.380 nan 0.000 0.500 148 V N -2.224 117.856 119.914 0.276 0.000 6.149 148 V HA 0.550 4.670 4.120 -0.000 0.000 0.279 148 V C -0.065 176.072 176.094 0.072 0.000 1.601 148 V CA -0.686 61.730 62.300 0.193 0.000 0.658 148 V CB 0.576 32.550 31.823 0.250 0.000 1.462 148 V HN -0.223 nan 8.190 nan 0.000 0.397 149 L N 2.202 123.413 121.223 -0.020 0.000 2.276 149 L HA 0.562 4.902 4.340 -0.000 0.000 0.286 149 L C -2.539 174.095 176.870 -0.393 0.000 1.024 149 L CA -1.642 53.111 54.840 -0.146 0.000 0.826 149 L CB 1.352 43.391 42.059 -0.033 0.000 1.211 149 L HN 0.371 nan 8.230 nan 0.000 0.422 150 P HA -0.129 nan 4.420 nan 0.000 0.267 150 P C 0.251 177.351 177.300 -0.334 0.000 1.195 150 P CA 0.250 62.901 63.100 -0.748 0.000 0.773 150 P CB 0.597 31.706 31.700 -0.986 0.000 0.837 151 Q N 1.593 121.408 119.800 0.025 0.000 2.311 151 Q HA -0.024 4.315 4.340 -0.000 0.000 0.203 151 Q C 1.315 177.260 176.000 -0.091 0.000 0.954 151 Q CA 1.710 57.565 55.803 0.085 0.000 0.885 151 Q CB -0.431 28.567 28.738 0.433 0.000 0.963 151 Q HN 0.645 nan 8.270 nan 0.000 0.471 152 G N -0.566 108.258 108.800 0.040 0.000 3.596 152 G HA2 0.027 3.987 3.960 -0.000 0.000 0.274 152 G HA3 0.027 3.987 3.960 -0.000 0.000 0.274 152 G C -0.757 174.131 174.900 -0.019 0.000 1.007 152 G CA -0.626 44.500 45.100 0.044 0.000 0.825 152 G HN 0.253 nan 8.290 nan 0.000 0.508 153 W N 1.815 122.815 121.300 -0.499 0.000 2.112 153 W HA 0.321 4.981 4.660 -0.000 0.000 0.349 153 W C 1.501 177.795 176.519 -0.375 0.000 1.289 153 W CA -0.766 56.256 57.345 -0.538 0.000 1.256 153 W CB 1.045 30.104 29.460 -0.669 0.000 1.148 153 W HN 0.001 nan 8.180 nan 0.000 0.590 154 K N 1.751 121.724 120.400 -0.711 0.000 1.973 154 K HA -0.072 4.248 4.320 -0.000 0.000 0.210 154 K C 1.624 177.570 176.600 -1.090 0.000 1.045 154 K CA 1.702 57.558 56.287 -0.718 0.000 0.937 154 K CB -0.941 31.240 32.500 -0.531 0.000 0.721 154 K HN 0.648 nan 8.250 nan 0.000 0.438 155 G N 0.221 107.803 108.800 -2.029 0.000 3.262 155 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.222 155 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.222 155 G C 0.745 174.738 174.900 -1.512 0.000 1.269 155 G CA -0.055 43.463 45.100 -2.637 0.000 1.032 155 G HN 0.239 nan 8.290 nan 0.000 0.502 156 S N 0.826 116.004 115.700 -0.870 0.000 2.412 156 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 156 S C 0.035 174.410 174.600 -0.376 0.000 1.048 156 S CA 0.497 58.431 58.200 -0.442 0.000 0.954 156 S CB -0.168 62.803 63.200 -0.382 0.000 0.840 156 S HN 0.245 nan 8.310 nan 0.000 0.503 157 P HA -0.089 nan 4.420 nan 0.000 0.215 157 P C 1.419 178.616 177.300 -0.173 0.000 1.157 157 P CA 1.565 64.517 63.100 -0.248 0.000 0.874 157 P CB -0.129 31.411 31.700 -0.267 0.000 0.790 158 A N 0.165 122.802 122.820 -0.306 0.000 1.862 158 A HA -0.252 4.068 4.320 -0.000 0.000 0.214 158 A C 2.170 179.661 177.584 -0.155 0.000 1.228 158 A CA 2.266 54.158 52.037 -0.243 0.000 0.665 158 A CB -1.836 16.936 19.000 -0.379 0.000 0.845 158 A HN 0.100 nan 8.150 nan 0.000 0.459 159 I N -1.384 119.057 120.570 -0.215 0.000 2.462 159 I HA -0.291 3.879 4.170 -0.000 0.000 0.259 159 I C 2.288 178.406 176.117 0.002 0.000 1.156 159 I CA 1.795 63.047 61.300 -0.080 0.000 1.417 159 I CB -0.512 37.444 38.000 -0.073 0.000 1.088 159 I HN 0.534 nan 8.210 nan 0.000 0.442 160 F N 1.842 121.703 119.950 -0.149 0.000 2.049 160 F HA -0.174 4.353 4.527 -0.000 0.000 0.288 160 F C 2.659 178.402 175.800 -0.095 0.000 1.141 160 F CA 1.513 59.451 58.000 -0.103 0.000 1.165 160 F CB -0.903 38.029 39.000 -0.114 0.000 1.012 160 F HN -0.093 nan 8.300 nan 0.000 0.475 161 Q N 0.698 120.325 119.800 -0.288 0.000 2.224 161 Q HA -0.277 4.063 4.340 -0.000 0.000 0.213 161 Q C 2.362 178.160 176.000 -0.337 0.000 0.998 161 Q CA 2.200 57.765 55.803 -0.396 0.000 0.895 161 Q CB -0.853 27.791 28.738 -0.156 0.000 0.926 161 Q HN 0.595 nan 8.270 nan 0.000 0.417 162 S N -0.670 114.903 115.700 -0.211 0.000 2.336 162 S HA -0.123 4.347 4.470 -0.000 0.000 0.214 162 S C 2.084 176.557 174.600 -0.211 0.000 1.032 162 S CA 1.770 59.882 58.200 -0.147 0.000 1.001 162 S CB -0.397 62.765 63.200 -0.065 0.000 0.953 162 S HN 0.464 nan 8.310 nan 0.000 0.430 163 S N 1.606 117.186 115.700 -0.201 0.000 2.393 163 S HA -0.252 4.218 4.470 -0.000 0.000 0.234 163 S C 1.876 176.272 174.600 -0.340 0.000 1.064 163 S CA 2.096 60.167 58.200 -0.216 0.000 1.088 163 S CB -0.738 62.388 63.200 -0.122 0.000 0.939 163 S HN 0.609 nan 8.310 nan 0.000 0.448 164 M N 1.728 121.016 119.600 -0.519 0.000 2.065 164 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 164 M C 2.104 178.187 176.300 -0.362 0.000 1.069 164 M CA 1.839 56.819 55.300 -0.534 0.000 1.110 164 M CB -1.412 30.706 32.600 -0.804 0.000 1.328 164 M HN 0.217 nan 8.290 nan 0.000 0.405 165 T N 0.732 115.103 114.554 -0.304 0.000 2.737 165 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 165 T C 1.776 176.377 174.700 -0.165 0.000 1.040 165 T CA 1.711 63.696 62.100 -0.191 0.000 1.142 165 T CB -0.216 68.565 68.868 -0.145 0.000 0.861 165 T HN 0.457 nan 8.240 nan 0.000 0.456 166 K N 0.338 120.617 120.400 -0.201 0.000 2.103 166 K HA 0.105 4.425 4.320 -0.000 0.000 0.204 166 K C 2.208 178.652 176.600 -0.260 0.000 1.052 166 K CA 0.905 57.079 56.287 -0.189 0.000 0.945 166 K CB -0.189 32.194 32.500 -0.193 0.000 0.722 166 K HN 0.370 nan 8.250 nan 0.000 0.443 167 I N 1.234 121.553 120.570 -0.418 0.000 2.315 167 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 167 I C 2.143 178.121 176.117 -0.231 0.000 1.117 167 I CA 1.040 61.959 61.300 -0.635 0.000 1.404 167 I CB -0.264 37.187 38.000 -0.915 0.000 1.071 167 I HN 0.093 nan 8.210 nan 0.000 0.419 168 L N 0.422 121.564 121.223 -0.136 0.000 2.046 168 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 168 L C 2.478 179.453 176.870 0.175 0.000 1.077 168 L CA 1.229 56.111 54.840 0.070 0.000 0.747 168 L CB -0.693 41.379 42.059 0.022 0.000 0.896 168 L HN 0.266 nan 8.230 nan 0.000 0.432 169 E N 0.194 120.433 120.200 0.065 0.000 2.181 169 E HA -0.298 4.052 4.350 -0.000 0.000 0.225 169 E C -0.479 176.180 176.600 0.098 0.000 1.073 169 E CA 2.689 59.127 56.400 0.062 0.000 0.916 169 E CB -0.839 28.872 29.700 0.019 0.000 0.793 169 E HN 0.351 nan 8.360 nan 0.000 0.472 170 P HA -0.163 nan 4.420 nan 0.000 0.215 170 P C 1.159 178.511 177.300 0.086 0.000 1.157 170 P CA 1.167 64.323 63.100 0.092 0.000 0.868 170 P CB -0.204 31.551 31.700 0.092 0.000 0.788 171 F N 1.211 121.136 119.950 -0.042 0.000 2.102 171 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 171 F C 2.046 177.845 175.800 -0.001 0.000 1.105 171 F CA 1.653 59.631 58.000 -0.037 0.000 1.239 171 F CB -0.596 38.453 39.000 0.082 0.000 0.991 171 F HN -0.262 nan 8.300 nan 0.000 0.474 172 K N 0.154 120.621 120.400 0.112 0.000 2.160 172 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 172 K C 2.154 178.708 176.600 -0.077 0.000 1.047 172 K CA 1.509 57.792 56.287 -0.008 0.000 0.930 172 K CB -0.159 32.373 32.500 0.053 0.000 0.720 172 K HN 0.343 nan 8.250 nan 0.000 0.450 173 K N 0.655 121.024 120.400 -0.051 0.000 2.005 173 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 173 K C 1.803 178.345 176.600 -0.097 0.000 1.044 173 K CA 0.922 57.175 56.287 -0.055 0.000 0.942 173 K CB -0.036 32.449 32.500 -0.025 0.000 0.727 173 K HN 0.164 nan 8.250 nan 0.000 0.439 174 Q N 0.779 120.509 119.800 -0.115 0.000 2.594 174 Q HA -0.045 4.295 4.340 -0.000 0.000 0.219 174 Q C -0.488 175.373 176.000 -0.232 0.000 0.980 174 Q CA 0.502 56.220 55.803 -0.141 0.000 0.962 174 Q CB -0.025 28.644 28.738 -0.115 0.000 0.987 174 Q HN 0.225 nan 8.270 nan 0.000 0.553 175 N N -0.497 118.043 118.700 -0.266 0.000 2.926 175 N HA 0.048 4.788 4.740 -0.000 0.000 0.201 175 N C -2.401 172.985 175.510 -0.206 0.000 1.419 175 N CA -0.437 52.432 53.050 -0.302 0.000 0.838 175 N CB 1.051 39.180 38.487 -0.597 0.000 1.534 175 N HN 0.022 nan 8.380 nan 0.000 0.569 176 P HA -0.173 nan 4.420 nan 0.000 0.219 176 P C 0.978 178.241 177.300 -0.060 0.000 1.146 176 P CA 1.219 64.272 63.100 -0.077 0.000 0.808 176 P CB 0.559 32.227 31.700 -0.055 0.000 0.779 177 D N 1.193 121.555 120.400 -0.063 0.000 2.108 177 D HA -0.170 4.470 4.640 -0.000 0.000 0.190 177 D C 0.831 177.117 176.300 -0.023 0.000 0.995 177 D CA 0.767 54.746 54.000 -0.035 0.000 0.834 177 D CB -1.034 39.749 40.800 -0.029 0.000 0.967 177 D HN 0.102 nan 8.370 nan 0.000 0.446 178 I N 1.296 121.841 120.570 -0.042 0.000 2.906 178 I HA -0.032 4.138 4.170 -0.000 0.000 0.301 178 I C 0.164 176.291 176.117 0.016 0.000 1.221 178 I CA -0.337 60.959 61.300 -0.006 0.000 1.435 178 I CB 0.227 38.202 38.000 -0.042 0.000 1.345 178 I HN 0.055 nan 8.210 nan 0.000 0.558 179 V N 6.270 126.211 119.914 0.046 0.000 2.398 179 V HA 0.616 4.736 4.120 -0.000 0.000 0.286 179 V C -0.252 175.892 176.094 0.083 0.000 1.026 179 V CA -0.580 61.746 62.300 0.043 0.000 0.868 179 V CB 1.349 33.176 31.823 0.007 0.000 0.982 179 V HN 0.518 nan 8.190 nan 0.000 0.443 180 I N 5.842 126.471 120.570 0.098 0.000 2.474 180 I HA 0.567 4.737 4.170 -0.000 0.000 0.294 180 I C -1.149 175.057 176.117 0.148 0.000 1.005 180 I CA -0.726 60.653 61.300 0.131 0.000 1.113 180 I CB 2.041 40.121 38.000 0.133 0.000 1.289 180 I HN 0.839 nan 8.210 nan 0.000 0.436 181 Y N 6.124 126.435 120.300 0.018 0.000 2.396 181 Y HA 0.351 4.901 4.550 -0.000 0.000 0.332 181 Y C -1.123 174.827 175.900 0.084 0.000 1.034 181 Y CA -0.650 57.443 58.100 -0.012 0.000 1.057 181 Y CB 1.617 39.989 38.460 -0.147 0.000 1.220 181 Y HN 0.607 nan 8.280 nan 0.000 0.440 182 Q N 5.406 124.938 119.800 -0.447 0.000 2.316 182 Q HA 0.447 4.787 4.340 -0.000 0.000 0.264 182 Q C -2.239 173.646 176.000 -0.192 0.000 0.987 182 Q CA -0.972 54.737 55.803 -0.155 0.000 0.852 182 Q CB 2.667 31.361 28.738 -0.073 0.000 1.287 182 Q HN 0.715 nan 8.270 nan 0.000 0.448 183 Y N 5.802 126.111 120.300 0.016 0.000 2.329 183 Y HA 0.342 4.892 4.550 -0.000 0.000 0.328 183 Y C 0.054 176.074 175.900 0.199 0.000 0.992 183 Y CA -0.635 57.549 58.100 0.140 0.000 1.151 183 Y CB 0.993 39.727 38.460 0.457 0.000 1.150 183 Y HN 0.957 nan 8.280 nan 0.000 0.450 184 M N 1.606 121.019 119.600 -0.313 0.000 7.319 184 M HA -0.389 4.091 4.480 -0.000 0.000 0.288 184 M C 0.552 176.822 176.300 -0.050 0.000 0.480 184 M CA 2.345 57.474 55.300 -0.285 0.000 1.311 184 M CB -1.511 30.831 32.600 -0.430 0.000 0.421 184 M HN 0.706 nan 8.290 nan 0.000 0.495 185 D N 0.893 121.294 120.400 0.002 0.000 2.349 185 D HA 0.146 4.786 4.640 -0.000 0.000 0.214 185 D C -0.216 176.159 176.300 0.126 0.000 1.063 185 D CA 0.251 54.283 54.000 0.054 0.000 0.847 185 D CB 0.316 41.144 40.800 0.048 0.000 0.933 185 D HN 0.436 nan 8.370 nan 0.000 0.513 186 D N 0.851 121.375 120.400 0.207 0.000 2.229 186 D HA 0.311 4.951 4.640 -0.000 0.000 0.249 186 D C -0.206 176.263 176.300 0.282 0.000 1.027 186 D CA -0.490 53.662 54.000 0.253 0.000 0.923 186 D CB 2.748 43.808 40.800 0.434 0.000 1.174 186 D HN -0.090 nan 8.370 nan 0.000 0.443 187 L N 2.636 123.970 121.223 0.185 0.000 2.490 187 L HA 0.236 4.576 4.340 -0.000 0.000 0.256 187 L C -1.630 175.336 176.870 0.160 0.000 1.089 187 L CA -0.556 54.396 54.840 0.187 0.000 0.916 187 L CB 0.278 42.405 42.059 0.112 0.000 1.188 187 L HN 0.176 nan 8.230 nan 0.000 0.476 188 Y N 2.884 123.234 120.300 0.083 0.000 2.359 188 Y HA 0.492 5.042 4.550 -0.000 0.000 0.330 188 Y C 0.309 176.226 175.900 0.028 0.000 1.143 188 Y CA -0.335 57.768 58.100 0.005 0.000 1.318 188 Y CB 1.099 39.486 38.460 -0.120 0.000 1.234 188 Y HN 0.204 nan 8.280 nan 0.000 0.522 189 V N 2.324 122.336 119.914 0.165 0.000 2.604 189 V HA 0.865 4.985 4.120 -0.000 0.000 0.305 189 V C 0.123 176.333 176.094 0.193 0.000 1.043 189 V CA -0.855 61.542 62.300 0.162 0.000 0.888 189 V CB 1.882 33.787 31.823 0.136 0.000 0.995 189 V HN 0.906 nan 8.190 nan 0.000 0.429 190 G N 2.062 110.965 108.800 0.171 0.000 2.732 190 G HA2 0.709 4.669 3.960 -0.000 0.000 0.295 190 G HA3 0.709 4.669 3.960 -0.000 0.000 0.295 190 G C -0.643 174.368 174.900 0.186 0.000 1.456 190 G CA 0.128 45.341 45.100 0.189 0.000 1.050 190 G HN 0.978 nan 8.290 nan 0.000 0.525 191 S N 0.244 116.101 115.700 0.261 0.000 2.911 191 S HA 0.652 5.122 4.470 -0.000 0.000 0.319 191 S C -0.731 173.954 174.600 0.142 0.000 1.154 191 S CA -0.686 57.629 58.200 0.191 0.000 0.857 191 S CB 2.224 65.561 63.200 0.228 0.000 1.279 191 S HN 0.245 nan 8.310 nan 0.000 0.593 192 D N 0.417 120.887 120.400 0.116 0.000 2.479 192 D HA 0.368 5.008 4.640 -0.000 0.000 0.218 192 D C -0.055 176.295 176.300 0.082 0.000 1.177 192 D CA 0.007 54.055 54.000 0.080 0.000 0.830 192 D CB 0.169 41.000 40.800 0.052 0.000 1.014 192 D HN 0.401 nan 8.370 nan 0.000 0.503 193 L N 0.764 122.064 121.223 0.128 0.000 2.439 193 L HA 0.320 4.660 4.340 -0.000 0.000 0.261 193 L C 0.612 177.543 176.870 0.102 0.000 1.153 193 L CA -0.613 54.297 54.840 0.116 0.000 0.808 193 L CB 0.647 42.794 42.059 0.146 0.000 1.126 193 L HN -0.298 nan 8.230 nan 0.000 0.460 194 E N 1.027 121.273 120.200 0.076 0.000 2.290 194 E HA 0.112 4.462 4.350 -0.000 0.000 0.277 194 E C 1.043 177.690 176.600 0.079 0.000 1.035 194 E CA -0.155 56.278 56.400 0.056 0.000 0.873 194 E CB 1.038 30.765 29.700 0.044 0.000 1.029 194 E HN 0.432 nan 8.360 nan 0.000 0.419 195 I N 2.511 123.112 120.570 0.052 0.000 2.605 195 I HA -0.455 3.714 4.170 -0.000 0.000 0.236 195 I C 2.078 178.274 176.117 0.132 0.000 0.907 195 I CA 1.810 63.156 61.300 0.077 0.000 1.252 195 I CB -0.736 37.290 38.000 0.044 0.000 0.960 195 I HN 0.822 nan 8.210 nan 0.000 0.406 196 G N -0.515 108.341 108.800 0.094 0.000 2.639 196 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 196 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 196 G C 1.362 176.324 174.900 0.103 0.000 1.267 196 G CA 1.046 46.197 45.100 0.086 0.000 0.801 196 G HN 0.482 nan 8.290 nan 0.000 0.592 197 Q N -0.747 119.112 119.800 0.099 0.000 2.096 197 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 197 Q C 2.273 178.345 176.000 0.120 0.000 0.982 197 Q CA 1.647 57.506 55.803 0.093 0.000 0.850 197 Q CB -0.298 28.487 28.738 0.079 0.000 0.901 197 Q HN 0.768 nan 8.270 nan 0.000 0.422 198 H N 0.832 119.938 119.070 0.060 0.000 2.289 198 H HA -0.136 4.420 4.556 -0.000 0.000 0.294 198 H C 1.820 177.198 175.328 0.084 0.000 1.095 198 H CA 2.071 58.163 56.048 0.074 0.000 1.256 198 H CB 0.160 29.967 29.762 0.075 0.000 1.359 198 H HN 0.071 nan 8.280 nan 0.000 0.487 199 R N -0.741 119.863 120.500 0.173 0.000 2.235 199 R HA -0.043 4.297 4.340 -0.000 0.000 0.213 199 R C 2.123 178.456 176.300 0.056 0.000 1.059 199 R CA 1.243 57.405 56.100 0.103 0.000 0.997 199 R CB 0.006 30.384 30.300 0.130 0.000 0.884 199 R HN 0.387 nan 8.270 nan 0.000 0.462 200 T N 1.265 115.854 114.554 0.059 0.000 2.614 200 T HA -0.160 4.190 4.350 -0.000 0.000 0.263 200 T C 1.689 176.422 174.700 0.055 0.000 1.055 200 T CA 1.251 63.383 62.100 0.054 0.000 1.162 200 T CB -0.145 68.755 68.868 0.054 0.000 0.863 200 T HN 0.041 nan 8.240 nan 0.000 0.414 201 K N 1.280 121.712 120.400 0.053 0.000 2.015 201 K HA -0.081 4.239 4.320 -0.000 0.000 0.216 201 K C 2.134 178.800 176.600 0.110 0.000 1.052 201 K CA 1.304 57.653 56.287 0.103 0.000 0.937 201 K CB -1.010 31.519 32.500 0.049 0.000 0.719 201 K HN 0.201 nan 8.250 nan 0.000 0.446 202 I N 0.935 121.498 120.570 -0.012 0.000 2.113 202 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 202 I C 2.284 178.400 176.117 -0.002 0.000 1.064 202 I CA 1.953 63.238 61.300 -0.025 0.000 1.320 202 I CB -1.031 36.939 38.000 -0.050 0.000 1.028 202 I HN 0.405 nan 8.210 nan 0.000 0.406 203 E N 0.817 121.027 120.200 0.018 0.000 2.209 203 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 203 E C 2.017 178.627 176.600 0.017 0.000 0.993 203 E CA 1.324 57.735 56.400 0.018 0.000 0.819 203 E CB 0.022 29.740 29.700 0.030 0.000 0.745 203 E HN 0.458 nan 8.360 nan 0.000 0.477 204 E N -0.451 119.776 120.200 0.046 0.000 2.072 204 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 204 E C 1.948 178.509 176.600 -0.064 0.000 0.982 204 E CA 0.844 57.283 56.400 0.067 0.000 0.803 204 E CB -0.152 29.662 29.700 0.191 0.000 0.755 204 E HN 0.224 nan 8.360 nan 0.000 0.453 205 L N 1.650 122.735 121.223 -0.231 0.000 1.990 205 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 205 L C 2.245 178.944 176.870 -0.285 0.000 1.072 205 L CA 1.928 56.370 54.840 -0.663 0.000 0.755 205 L CB -0.541 41.230 42.059 -0.481 0.000 0.889 205 L HN -0.057 nan 8.230 nan 0.000 0.432 206 R N -1.081 119.341 120.500 -0.131 0.000 2.097 206 R HA -0.252 4.087 4.340 -0.000 0.000 0.236 206 R C 2.438 178.728 176.300 -0.017 0.000 1.135 206 R CA 2.100 58.167 56.100 -0.056 0.000 0.934 206 R CB -0.347 29.940 30.300 -0.022 0.000 0.846 206 R HN 0.459 nan 8.270 nan 0.000 0.431 207 Q N -0.908 118.897 119.800 0.007 0.000 2.061 207 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 207 Q C 1.925 177.983 176.000 0.096 0.000 0.984 207 Q CA 2.194 58.023 55.803 0.042 0.000 0.846 207 Q CB -0.369 28.398 28.738 0.048 0.000 0.902 207 Q HN 0.464 nan 8.270 nan 0.000 0.421 208 H N -0.052 119.002 119.070 -0.028 0.000 2.251 208 H HA -0.144 4.411 4.556 -0.000 0.000 0.294 208 H C 1.743 177.170 175.328 0.165 0.000 1.078 208 H CA 2.186 58.259 56.048 0.042 0.000 1.246 208 H CB -0.656 29.055 29.762 -0.084 0.000 1.358 208 H HN 0.267 nan 8.280 nan 0.000 0.488 209 L N -0.526 120.642 121.223 -0.092 0.000 1.997 209 L HA -0.226 4.114 4.340 -0.000 0.000 0.216 209 L C 2.719 179.639 176.870 0.083 0.000 1.074 209 L CA 1.421 56.204 54.840 -0.095 0.000 0.763 209 L CB -0.693 41.307 42.059 -0.100 0.000 0.890 209 L HN 0.310 nan 8.230 nan 0.000 0.434 210 L N 0.182 121.438 121.223 0.055 0.000 2.129 210 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 210 L C 2.639 179.536 176.870 0.045 0.000 1.087 210 L CA 1.753 56.625 54.840 0.052 0.000 0.757 210 L CB -0.693 41.384 42.059 0.031 0.000 0.896 210 L HN 0.180 nan 8.230 nan 0.000 0.434 211 R N -1.925 118.592 120.500 0.028 0.000 2.237 211 R HA -0.157 4.183 4.340 -0.000 0.000 0.219 211 R C 0.619 176.796 176.300 -0.205 0.000 1.080 211 R CA 1.240 57.274 56.100 -0.110 0.000 0.995 211 R CB -0.401 29.798 30.300 -0.169 0.000 0.875 211 R HN 0.450 nan 8.270 nan 0.000 0.462 212 W N 0.473 121.754 121.300 -0.031 0.000 2.817 212 W HA 0.300 4.960 4.660 -0.000 0.000 0.433 212 W C 0.992 177.507 176.519 -0.007 0.000 0.838 212 W CA 0.107 57.436 57.345 -0.027 0.000 2.356 212 W CB 0.316 29.729 29.460 -0.077 0.000 1.216 212 W HN 0.194 nan 8.180 nan 0.000 0.793 213 G N 0.750 109.639 108.800 0.149 0.000 2.216 213 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.269 213 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.269 213 G C 0.149 175.120 174.900 0.119 0.000 0.981 213 G CA 0.323 45.494 45.100 0.118 0.000 0.658 213 G HN 0.299 nan 8.290 nan 0.000 0.539 214 L N 2.110 123.413 121.223 0.132 0.000 2.270 214 L HA 0.382 4.722 4.340 -0.000 0.000 0.286 214 L C 0.641 177.554 176.870 0.072 0.000 1.059 214 L CA -0.626 54.280 54.840 0.110 0.000 0.839 214 L CB 0.874 43.005 42.059 0.121 0.000 1.221 214 L HN 0.033 nan 8.230 nan 0.000 0.431 215 T N 1.040 115.626 114.554 0.053 0.000 2.874 215 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 215 T C 0.377 175.093 174.700 0.026 0.000 0.994 215 T CA -0.395 61.725 62.100 0.033 0.000 1.015 215 T CB 1.832 70.713 68.868 0.021 0.000 1.028 215 T HN 0.717 nan 8.240 nan 0.000 0.523 216 T N 0.089 114.653 114.554 0.016 0.000 2.821 216 T HA 0.680 5.029 4.350 -0.000 0.000 0.306 216 T C -3.116 171.586 174.700 0.002 0.000 1.313 216 T CA -1.341 60.766 62.100 0.012 0.000 1.012 216 T CB 1.726 70.603 68.868 0.015 0.000 1.298 216 T HN 0.464 nan 8.240 nan 0.000 0.502 217 P HA 0.571 nan 4.420 nan 0.000 0.287 217 P C -0.615 176.680 177.300 -0.008 0.000 1.292 217 P CA -0.371 62.720 63.100 -0.015 0.000 0.879 217 P CB 1.939 33.618 31.700 -0.035 0.000 1.214 218 D N -0.803 119.590 120.400 -0.012 0.000 2.479 218 D HA 0.072 4.712 4.640 -0.000 0.000 0.216 218 D C 0.048 176.344 176.300 -0.006 0.000 1.110 218 D CA 0.476 54.475 54.000 -0.001 0.000 0.841 218 D CB 0.681 41.483 40.800 0.004 0.000 1.040 218 D HN 0.373 nan 8.370 nan 0.000 0.505 219 K N 0.597 120.981 120.400 -0.027 0.000 3.009 219 K HA 0.081 4.401 4.320 -0.000 0.000 0.228 219 K C -0.124 176.423 176.600 -0.088 0.000 1.307 219 K CA -0.378 55.888 56.287 -0.036 0.000 0.882 219 K CB 0.810 33.297 32.500 -0.021 0.000 1.275 219 K HN -0.264 nan 8.250 nan 0.000 0.551 220 K N 0.664 120.993 120.400 -0.119 0.000 3.383 220 K HA 0.293 4.613 4.320 -0.000 0.000 0.164 220 K C 1.191 177.601 176.600 -0.318 0.000 1.145 220 K CA 0.866 56.983 56.287 -0.283 0.000 1.507 220 K CB 0.057 32.420 32.500 -0.229 0.000 2.086 220 K HN 0.421 nan 8.250 nan 0.000 0.502 221 H N -0.469 118.612 119.070 0.018 0.000 2.334 221 H HA 0.172 4.728 4.556 -0.000 0.000 0.307 221 H C 0.550 175.887 175.328 0.016 0.000 1.092 221 H CA 0.060 56.118 56.048 0.016 0.000 1.567 221 H CB -0.637 29.136 29.762 0.017 0.000 1.505 221 H HN 0.424 nan 8.280 nan 0.000 0.637 222 Q N 1.862 121.756 119.800 0.157 0.000 2.861 222 Q HA -0.057 4.283 4.340 -0.000 0.000 0.240 222 Q C 0.037 176.063 176.000 0.044 0.000 1.162 222 Q CA 0.486 56.343 55.803 0.090 0.000 1.078 222 Q CB 0.517 29.310 28.738 0.092 0.000 1.349 222 Q HN 0.389 nan 8.270 nan 0.000 0.595 223 K N -0.148 120.262 120.400 0.016 0.000 2.211 223 K HA 0.417 4.737 4.320 -0.000 0.000 0.237 223 K C -0.371 176.149 176.600 -0.134 0.000 1.002 223 K CA -1.003 55.262 56.287 -0.038 0.000 0.885 223 K CB 1.389 33.870 32.500 -0.032 0.000 1.136 223 K HN 0.413 nan 8.250 nan 0.000 0.448 224 E N 0.189 120.249 120.200 -0.233 0.000 3.078 224 E HA 0.296 4.646 4.350 -0.000 0.000 0.233 224 E C -2.363 173.791 176.600 -0.743 0.000 0.746 224 E CA -2.026 54.041 56.400 -0.556 0.000 1.490 224 E CB -0.646 28.864 29.700 -0.316 0.000 1.807 224 E HN 0.416 nan 8.360 nan 0.000 0.463 225 P HA -0.004 nan 4.420 nan 0.000 0.260 225 P C -2.161 175.050 177.300 -0.149 0.000 1.172 225 P CA -0.117 62.751 63.100 -0.388 0.000 0.760 225 P CB -0.333 31.341 31.700 -0.042 0.000 0.773 226 P HA 0.133 nan 4.420 nan 0.000 0.272 226 P C -0.960 176.246 177.300 -0.156 0.000 1.223 226 P CA 0.098 63.056 63.100 -0.235 0.000 0.784 226 P CB 0.521 32.118 31.700 -0.171 0.000 0.923 227 F N 1.062 121.035 119.950 0.039 0.000 2.385 227 F HA 0.316 4.843 4.527 -0.000 0.000 0.360 227 F C 0.848 176.806 175.800 0.264 0.000 1.122 227 F CA -0.613 57.503 58.000 0.193 0.000 1.090 227 F CB 1.100 40.274 39.000 0.290 0.000 1.150 227 F HN 0.102 nan 8.300 nan 0.000 0.472 228 L N 4.483 125.965 121.223 0.431 0.000 2.278 228 L HA 0.248 4.588 4.340 -0.000 0.000 0.287 228 L C -1.315 175.876 176.870 0.536 0.000 1.072 228 L CA -0.260 54.816 54.840 0.394 0.000 0.819 228 L CB 0.572 42.789 42.059 0.263 0.000 1.176 228 L HN 0.776 nan 8.230 nan 0.000 0.435 229 W N 6.788 128.273 121.300 0.308 0.000 3.129 229 W HA 0.304 4.964 4.660 -0.000 0.000 0.333 229 W C -0.060 176.621 176.519 0.270 0.000 1.141 229 W CA -0.815 56.685 57.345 0.257 0.000 1.224 229 W CB 1.169 30.705 29.460 0.128 0.000 1.393 229 W HN 0.402 nan 8.180 nan 0.000 0.499 230 M N 4.610 123.896 119.600 -0.523 0.000 2.368 230 M HA -0.198 4.282 4.480 -0.000 0.000 0.193 230 M C 1.079 177.271 176.300 -0.180 0.000 0.434 230 M CA 1.997 56.977 55.300 -0.534 0.000 0.418 230 M CB -2.476 29.442 32.600 -1.135 0.000 1.401 230 M HN 1.470 nan 8.290 nan 0.000 0.859 231 G N -1.358 107.413 108.800 -0.048 0.000 2.171 231 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.238 231 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.238 231 G C -0.414 174.589 174.900 0.172 0.000 1.039 231 G CA 0.153 45.222 45.100 -0.052 0.000 0.759 231 G HN 0.575 nan 8.290 nan 0.000 0.501 232 Y N -0.870 119.656 120.300 0.376 0.000 2.570 232 Y HA 0.660 5.210 4.550 -0.000 0.000 0.345 232 Y C 0.305 176.467 175.900 0.437 0.000 1.014 232 Y CA -1.002 57.388 58.100 0.483 0.000 1.063 232 Y CB 1.942 40.718 38.460 0.526 0.000 1.272 232 Y HN 0.123 nan 8.280 nan 0.000 0.477 233 E N 2.543 123.114 120.200 0.618 0.000 2.207 233 E HA 0.446 4.796 4.350 -0.000 0.000 0.250 233 E C -1.839 175.013 176.600 0.419 0.000 0.890 233 E CA -0.298 56.352 56.400 0.415 0.000 0.749 233 E CB 0.609 30.513 29.700 0.340 0.000 1.193 233 E HN 0.531 nan 8.360 nan 0.000 0.423 234 L N 4.804 126.234 121.223 0.345 0.000 2.295 234 L HA 0.459 4.799 4.340 -0.000 0.000 0.285 234 L C -0.111 176.848 176.870 0.149 0.000 1.035 234 L CA -0.681 54.363 54.840 0.340 0.000 0.806 234 L CB 1.023 43.260 42.059 0.297 0.000 1.214 234 L HN 0.498 nan 8.230 nan 0.000 0.426 235 H N 2.713 122.015 119.070 0.386 0.000 2.690 235 H HA 0.242 4.798 4.556 -0.000 0.000 0.368 235 H C -1.914 173.578 175.328 0.274 0.000 1.150 235 H CA -1.903 54.319 56.048 0.290 0.000 1.174 235 H CB 2.125 31.993 29.762 0.177 0.000 1.684 235 H HN 0.299 nan 8.280 nan 0.000 0.538 236 P HA -0.140 nan 4.420 nan 0.000 0.227 236 P C 0.518 177.955 177.300 0.229 0.000 1.145 236 P CA 1.421 64.684 63.100 0.272 0.000 0.769 236 P CB 0.355 32.171 31.700 0.193 0.000 0.769 237 D N -3.002 117.476 120.400 0.130 0.000 2.453 237 D HA 0.048 4.688 4.640 -0.000 0.000 0.256 237 D C 0.520 176.620 176.300 -0.332 0.000 1.152 237 D CA 0.114 54.086 54.000 -0.047 0.000 0.818 237 D CB 0.515 41.315 40.800 0.000 0.000 1.259 237 D HN 0.253 nan 8.370 nan 0.000 0.531 238 K N -0.552 119.694 120.400 -0.256 0.000 2.367 238 K HA 0.605 4.925 4.320 -0.000 0.000 0.272 238 K C -1.402 175.217 176.600 0.032 0.000 1.046 238 K CA -1.097 55.012 56.287 -0.297 0.000 0.895 238 K CB 2.036 34.545 32.500 0.016 0.000 1.512 238 K HN 0.104 nan 8.250 nan 0.000 0.433 239 W N -0.109 121.240 121.300 0.081 0.000 3.248 239 W HA 0.628 5.288 4.660 -0.000 0.000 0.311 239 W C -2.065 174.639 176.519 0.309 0.000 1.258 239 W CA -0.688 56.842 57.345 0.307 0.000 1.191 239 W CB 1.267 30.985 29.460 0.431 0.000 1.389 239 W HN 0.826 nan 8.180 nan 0.000 0.561 240 T N 0.404 115.148 114.554 0.316 0.000 2.762 240 T HA 0.504 4.854 4.350 -0.000 0.000 0.301 240 T C -1.209 173.764 174.700 0.456 0.000 1.299 240 T CA -0.232 61.885 62.100 0.028 0.000 1.005 240 T CB 1.609 70.509 68.868 0.054 0.000 1.377 240 T HN 0.426 nan 8.240 nan 0.000 0.504 241 V N 2.628 122.731 119.914 0.316 0.000 3.264 241 V HA 0.302 4.422 4.120 -0.000 0.000 0.304 241 V C 0.525 176.820 176.094 0.335 0.000 1.086 241 V CA -0.436 62.063 62.300 0.331 0.000 1.090 241 V CB 1.091 33.050 31.823 0.227 0.000 1.112 241 V HN 0.977 nan 8.190 nan 0.000 0.472 242 Q N 2.186 122.198 119.800 0.353 0.000 2.330 242 Q HA 0.240 4.580 4.340 -0.000 0.000 0.279 242 Q C -2.569 173.556 176.000 0.209 0.000 1.024 242 Q CA -1.363 54.593 55.803 0.256 0.000 0.900 242 Q CB -0.536 28.316 28.738 0.189 0.000 1.221 242 Q HN 0.418 nan 8.270 nan 0.000 0.396 243 P HA -0.045 nan 4.420 nan 0.000 0.263 243 P C -0.676 176.676 177.300 0.088 0.000 1.195 243 P CA 0.277 63.451 63.100 0.123 0.000 0.762 243 P CB 0.263 32.025 31.700 0.103 0.000 0.799 244 I N 0.418 121.025 120.570 0.062 0.000 2.924 244 I HA 0.675 4.845 4.170 -0.000 0.000 0.316 244 I C -0.810 175.315 176.117 0.014 0.000 1.014 244 I CA -1.061 60.261 61.300 0.036 0.000 1.106 244 I CB 1.826 39.842 38.000 0.026 0.000 1.311 244 I HN -0.071 nan 8.210 nan 0.000 0.502 245 V N 4.568 124.491 119.914 0.015 0.000 2.488 245 V HA 0.299 4.418 4.120 -0.000 0.000 0.293 245 V C -0.165 175.950 176.094 0.035 0.000 1.027 245 V CA -0.385 61.925 62.300 0.017 0.000 0.862 245 V CB 1.481 33.311 31.823 0.012 0.000 1.008 245 V HN 0.558 nan 8.190 nan 0.000 0.428 246 L N 8.189 129.438 121.223 0.044 0.000 2.334 246 L HA 0.327 4.667 4.340 -0.000 0.000 0.286 246 L C -1.601 175.347 176.870 0.131 0.000 1.108 246 L CA -1.338 53.559 54.840 0.095 0.000 0.875 246 L CB 1.191 43.294 42.059 0.074 0.000 1.246 246 L HN 0.449 nan 8.230 nan 0.000 0.439 247 P HA -0.001 nan 4.420 nan 0.000 0.267 247 P C -0.718 176.653 177.300 0.118 0.000 1.200 247 P CA 0.030 63.155 63.100 0.042 0.000 0.772 247 P CB 0.949 32.591 31.700 -0.096 0.000 0.855 248 E N 2.096 122.300 120.200 0.007 0.000 2.158 248 E HA 0.354 4.704 4.350 -0.000 0.000 0.271 248 E C -0.334 176.180 176.600 -0.143 0.000 0.911 248 E CA -0.654 55.792 56.400 0.076 0.000 0.767 248 E CB 1.524 31.265 29.700 0.069 0.000 1.120 248 E HN 0.352 nan 8.360 nan 0.000 0.405 249 K N 1.804 122.078 120.400 -0.211 0.000 2.482 249 K HA 0.276 4.596 4.320 -0.000 0.000 0.257 249 K C -0.278 176.241 176.600 -0.135 0.000 0.969 249 K CA -0.823 55.207 56.287 -0.428 0.000 0.842 249 K CB 1.776 33.609 32.500 -1.112 0.000 1.359 249 K HN 0.327 nan 8.250 nan 0.000 0.441 250 D N 0.423 120.753 120.400 -0.116 0.000 2.249 250 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 250 D C -0.013 176.316 176.300 0.049 0.000 0.962 250 D CA 1.047 55.047 54.000 -0.001 0.000 0.860 250 D CB 0.461 41.250 40.800 -0.019 0.000 0.955 250 D HN 0.504 nan 8.370 nan 0.000 0.505 251 S N -0.389 115.299 115.700 -0.019 0.000 2.614 251 S HA 0.452 4.922 4.470 -0.000 0.000 0.275 251 S C -1.408 173.210 174.600 0.030 0.000 1.161 251 S CA -1.021 57.222 58.200 0.072 0.000 0.969 251 S CB 0.726 63.942 63.200 0.027 0.000 1.059 251 S HN 0.019 nan 8.310 nan 0.000 0.482 252 W N 1.477 122.773 121.300 -0.007 0.000 2.520 252 W HA 0.708 5.368 4.660 -0.000 0.000 0.323 252 W C 0.555 177.069 176.519 -0.008 0.000 1.062 252 W CA -0.389 56.951 57.345 -0.008 0.000 1.215 252 W CB 1.992 31.447 29.460 -0.008 0.000 1.340 252 W HN 0.706 nan 8.180 nan 0.000 0.516 253 T N 1.114 115.793 114.554 0.208 0.000 2.940 253 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 253 T C 1.032 175.808 174.700 0.126 0.000 1.033 253 T CA -0.613 61.561 62.100 0.123 0.000 1.033 253 T CB 1.271 70.173 68.868 0.058 0.000 1.079 253 T HN 0.232 nan 8.240 nan 0.000 0.496 254 V N 3.958 123.921 119.914 0.082 0.000 2.252 254 V HA -0.282 3.838 4.120 -0.000 0.000 0.255 254 V C 2.790 178.926 176.094 0.069 0.000 1.071 254 V CA 2.578 64.916 62.300 0.064 0.000 1.050 254 V CB -0.905 30.941 31.823 0.038 0.000 0.654 254 V HN 0.926 nan 8.190 nan 0.000 0.448 255 N N 0.165 118.897 118.700 0.054 0.000 2.060 255 N HA -0.238 4.502 4.740 -0.000 0.000 0.195 255 N C 1.511 177.062 175.510 0.067 0.000 1.028 255 N CA 2.319 55.394 53.050 0.042 0.000 0.861 255 N CB -0.273 38.227 38.487 0.021 0.000 1.029 255 N HN 0.579 nan 8.380 nan 0.000 0.428 256 D N 0.425 120.887 120.400 0.105 0.000 2.183 256 D HA -0.044 4.596 4.640 -0.000 0.000 0.203 256 D C 2.072 178.555 176.300 0.306 0.000 0.969 256 D CA 0.189 54.292 54.000 0.172 0.000 0.842 256 D CB -0.038 40.839 40.800 0.129 0.000 0.957 256 D HN 0.310 nan 8.370 nan 0.000 0.484 257 I N 1.432 122.154 120.570 0.253 0.000 2.202 257 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 257 I C 2.324 178.493 176.117 0.086 0.000 1.091 257 I CA 1.101 62.491 61.300 0.151 0.000 1.368 257 I CB -0.954 37.087 38.000 0.069 0.000 1.058 257 I HN 0.080 nan 8.210 nan 0.000 0.410 258 Q N 0.743 120.586 119.800 0.071 0.000 1.948 258 Q HA -0.274 4.066 4.340 -0.000 0.000 0.205 258 Q C 2.234 178.264 176.000 0.049 0.000 0.992 258 Q CA 1.887 57.716 55.803 0.043 0.000 0.849 258 Q CB -0.402 28.355 28.738 0.032 0.000 0.918 258 Q HN 0.347 nan 8.270 nan 0.000 0.421 259 K N 0.443 120.876 120.400 0.055 0.000 2.362 259 K HA -0.205 4.115 4.320 -0.000 0.000 0.202 259 K C 1.917 178.561 176.600 0.073 0.000 1.045 259 K CA 0.726 57.040 56.287 0.045 0.000 0.936 259 K CB -0.048 32.474 32.500 0.036 0.000 0.747 259 K HN 0.097 nan 8.250 nan 0.000 0.467 260 L N -0.356 120.937 121.223 0.117 0.000 2.102 260 L HA -0.072 4.268 4.340 -0.000 0.000 0.202 260 L C 1.804 178.708 176.870 0.057 0.000 1.076 260 L CA 1.136 56.055 54.840 0.132 0.000 0.761 260 L CB -0.182 41.985 42.059 0.181 0.000 0.921 260 L HN -0.090 nan 8.230 nan 0.000 0.444 261 V N 0.452 120.386 119.914 0.034 0.000 2.343 261 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 261 V C 2.683 178.801 176.094 0.040 0.000 1.051 261 V CA 1.667 63.978 62.300 0.019 0.000 1.036 261 V CB -1.951 29.877 31.823 0.008 0.000 0.654 261 V HN 0.604 nan 8.190 nan 0.000 0.451 262 G N 0.439 109.264 108.800 0.040 0.000 2.513 262 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 262 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 262 G C 1.638 176.585 174.900 0.078 0.000 1.160 262 G CA 1.262 46.389 45.100 0.046 0.000 0.767 262 G HN 0.522 nan 8.290 nan 0.000 0.571 263 K N -0.056 120.381 120.400 0.063 0.000 2.097 263 K HA 0.085 4.405 4.320 -0.000 0.000 0.206 263 K C 2.528 179.209 176.600 0.135 0.000 1.049 263 K CA 0.703 57.046 56.287 0.093 0.000 0.933 263 K CB -0.293 32.239 32.500 0.052 0.000 0.717 263 K HN 0.271 nan 8.250 nan 0.000 0.442 264 L N 1.347 122.619 121.223 0.081 0.000 2.017 264 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 264 L C 2.035 178.955 176.870 0.083 0.000 1.073 264 L CA 1.067 55.940 54.840 0.055 0.000 0.745 264 L CB -0.522 41.551 42.059 0.023 0.000 0.894 264 L HN 0.253 nan 8.230 nan 0.000 0.432 265 N N -0.582 118.182 118.700 0.105 0.000 2.120 265 N HA -0.263 4.477 4.740 -0.000 0.000 0.188 265 N C 1.548 177.143 175.510 0.141 0.000 1.024 265 N CA 1.358 54.474 53.050 0.110 0.000 0.852 265 N CB -0.483 38.073 38.487 0.115 0.000 1.003 265 N HN 0.506 nan 8.380 nan 0.000 0.424 266 W N 1.919 123.225 121.300 0.009 0.000 2.364 266 W HA -0.081 4.579 4.660 -0.000 0.000 0.281 266 W C 1.492 178.040 176.519 0.048 0.000 1.219 266 W CA 1.528 58.874 57.345 0.002 0.000 1.220 266 W CB -0.029 29.403 29.460 -0.046 0.000 1.127 266 W HN 0.025 nan 8.180 nan 0.000 0.556 267 A N -0.617 122.262 122.820 0.099 0.000 2.218 267 A HA -0.026 4.294 4.320 -0.000 0.000 0.209 267 A C 1.912 179.572 177.584 0.127 0.000 1.168 267 A CA 1.176 53.255 52.037 0.072 0.000 0.804 267 A CB -0.708 18.267 19.000 -0.042 0.000 0.834 267 A HN 0.183 nan 8.150 nan 0.000 0.482 268 S N 0.371 116.111 115.700 0.067 0.000 2.428 268 S HA -0.175 4.295 4.470 -0.000 0.000 0.230 268 S C 2.064 176.694 174.600 0.051 0.000 1.014 268 S CA 1.344 59.583 58.200 0.065 0.000 0.957 268 S CB -0.363 62.862 63.200 0.041 0.000 0.784 268 S HN 0.792 nan 8.310 nan 0.000 0.499 269 Q N -0.422 119.403 119.800 0.041 0.000 2.368 269 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 269 Q C 1.568 177.690 176.000 0.203 0.000 0.982 269 Q CA 1.248 57.132 55.803 0.135 0.000 0.884 269 Q CB -0.159 28.700 28.738 0.201 0.000 0.933 269 Q HN 0.616 nan 8.270 nan 0.000 0.460 270 I N -2.212 118.436 120.570 0.129 0.000 4.922 270 I HA 0.157 4.327 4.170 -0.000 0.000 0.331 270 I C -0.682 175.355 176.117 -0.132 0.000 1.260 270 I CA -0.544 60.745 61.300 -0.020 0.000 1.366 270 I CB 0.831 38.702 38.000 -0.215 0.000 1.386 270 I HN -0.082 nan 8.210 nan 0.000 0.483 271 Y N 3.767 124.054 120.300 -0.023 0.000 2.402 271 Y HA 0.428 4.978 4.550 -0.000 0.000 0.333 271 Y C -2.095 173.795 175.900 -0.016 0.000 1.076 271 Y CA -2.073 56.017 58.100 -0.016 0.000 1.299 271 Y CB 0.019 38.476 38.460 -0.004 0.000 1.197 271 Y HN 0.051 nan 8.280 nan 0.000 0.517 272 P HA 0.183 nan 4.420 nan 0.000 0.279 272 P C 0.555 177.894 177.300 0.064 0.000 1.239 272 P CA 0.576 63.701 63.100 0.042 0.000 0.789 272 P CB 1.074 32.781 31.700 0.012 0.000 0.933 273 G N 2.741 111.567 108.800 0.043 0.000 2.189 273 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.267 273 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.267 273 G C 0.350 175.272 174.900 0.037 0.000 0.975 273 G CA -0.412 44.710 45.100 0.037 0.000 0.644 273 G HN 0.512 nan 8.290 nan 0.000 0.537 274 I N 1.012 121.611 120.570 0.050 0.000 2.742 274 I HA 0.063 4.233 4.170 -0.000 0.000 0.287 274 I C 0.951 177.081 176.117 0.022 0.000 1.186 274 I CA 0.702 62.023 61.300 0.035 0.000 1.417 274 I CB 0.370 38.393 38.000 0.039 0.000 1.377 274 I HN 0.113 nan 8.210 nan 0.000 0.556 275 K N 4.726 125.131 120.400 0.007 0.000 2.090 275 K HA 0.452 4.772 4.320 -0.000 0.000 0.250 275 K C 0.343 176.939 176.600 -0.006 0.000 1.004 275 K CA -0.423 55.865 56.287 0.001 0.000 0.919 275 K CB 1.611 34.104 32.500 -0.011 0.000 1.045 275 K HN 0.390 nan 8.250 nan 0.000 0.471 276 V N 0.278 120.187 119.914 -0.008 0.000 3.777 276 V HA 0.063 4.183 4.120 -0.000 0.000 0.285 276 V C 1.469 177.549 176.094 -0.022 0.000 1.668 276 V CA -0.269 62.022 62.300 -0.016 0.000 1.178 276 V CB 0.147 31.968 31.823 -0.003 0.000 0.962 276 V HN 0.714 nan 8.190 nan 0.000 0.411 277 R N 1.074 121.562 120.500 -0.019 0.000 2.094 277 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 277 R C 2.227 178.508 176.300 -0.033 0.000 1.137 277 R CA 2.329 58.416 56.100 -0.022 0.000 0.943 277 R CB 0.061 30.351 30.300 -0.017 0.000 0.850 277 R HN 0.492 nan 8.270 nan 0.000 0.433 278 Q N 0.580 120.355 119.800 -0.041 0.000 2.020 278 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 278 Q C 2.375 178.336 176.000 -0.065 0.000 0.982 278 Q CA 1.366 57.138 55.803 -0.052 0.000 0.838 278 Q CB -0.458 28.246 28.738 -0.058 0.000 0.899 278 Q HN 0.439 nan 8.270 nan 0.000 0.423 279 L N 0.720 121.896 121.223 -0.078 0.000 2.127 279 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 279 L C 2.257 179.083 176.870 -0.074 0.000 1.089 279 L CA 1.121 55.900 54.840 -0.101 0.000 0.757 279 L CB -0.305 41.684 42.059 -0.117 0.000 0.899 279 L HN 0.144 nan 8.230 nan 0.000 0.434 280 S N -0.913 114.757 115.700 -0.050 0.000 2.439 280 S HA -0.098 4.371 4.470 -0.000 0.000 0.224 280 S C 1.866 176.447 174.600 -0.031 0.000 1.029 280 S CA 0.384 58.564 58.200 -0.033 0.000 0.946 280 S CB 0.056 63.242 63.200 -0.023 0.000 0.797 280 S HN 0.320 nan 8.310 nan 0.000 0.504 281 K N 1.788 122.167 120.400 -0.034 0.000 2.160 281 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 281 K C 1.724 178.306 176.600 -0.030 0.000 1.047 281 K CA 1.083 57.351 56.287 -0.031 0.000 0.930 281 K CB -0.335 32.144 32.500 -0.034 0.000 0.720 281 K HN 0.330 nan 8.250 nan 0.000 0.450 282 L N 0.317 121.517 121.223 -0.038 0.000 1.961 282 L HA -0.171 4.168 4.340 -0.000 0.000 0.209 282 L C 2.396 179.253 176.870 -0.022 0.000 1.075 282 L CA 0.607 55.427 54.840 -0.035 0.000 0.749 282 L CB -0.809 41.220 42.059 -0.051 0.000 0.890 282 L HN 0.156 nan 8.230 nan 0.000 0.433 283 L N 0.516 121.726 121.223 -0.021 0.000 2.574 283 L HA -0.187 4.153 4.340 -0.000 0.000 0.230 283 L C 2.495 179.361 176.870 -0.007 0.000 1.160 283 L CA 1.318 56.153 54.840 -0.009 0.000 0.807 283 L CB -0.755 41.300 42.059 -0.006 0.000 0.931 283 L HN 0.118 nan 8.230 nan 0.000 0.450 284 R N -0.462 120.031 120.500 -0.011 0.000 2.371 284 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 284 R C 0.907 177.204 176.300 -0.005 0.000 1.132 284 R CA 0.654 56.749 56.100 -0.009 0.000 1.027 284 R CB -0.624 29.669 30.300 -0.012 0.000 0.848 284 R HN 0.520 nan 8.270 nan 0.000 0.479 285 G N -0.500 108.298 108.800 -0.003 0.000 2.327 285 G HA2 0.082 4.042 3.960 -0.000 0.000 0.302 285 G HA3 0.082 4.042 3.960 -0.000 0.000 0.302 285 G C 0.340 175.241 174.900 0.002 0.000 1.113 285 G CA -0.419 44.681 45.100 -0.000 0.000 0.921 285 G HN -0.000 nan 8.290 nan 0.000 0.425 286 T N 1.063 115.619 114.554 0.002 0.000 3.100 286 T HA 0.105 4.455 4.350 -0.000 0.000 0.253 286 T C 1.556 176.259 174.700 0.005 0.000 1.118 286 T CA 0.812 62.914 62.100 0.004 0.000 1.058 286 T CB -0.213 68.657 68.868 0.003 0.000 0.953 286 T HN 0.485 nan 8.240 nan 0.000 0.515 287 K N 0.298 120.701 120.400 0.005 0.000 2.447 287 K HA 0.487 4.807 4.320 -0.000 0.000 0.205 287 K C 0.562 177.166 176.600 0.006 0.000 1.059 287 K CA -0.338 55.952 56.287 0.005 0.000 1.065 287 K CB 1.113 33.616 32.500 0.004 0.000 0.885 287 K HN 0.245 nan 8.250 nan 0.000 0.545 288 A N 0.679 123.504 122.820 0.009 0.000 2.250 288 A HA 0.466 4.786 4.320 -0.000 0.000 0.283 288 A C 0.563 178.154 177.584 0.012 0.000 1.206 288 A CA -0.085 51.959 52.037 0.011 0.000 0.840 288 A CB 0.436 19.444 19.000 0.014 0.000 1.220 288 A HN 0.194 nan 8.150 nan 0.000 0.505 289 L N -3.270 117.961 121.223 0.014 0.000 1.978 289 L HA 0.183 4.523 4.340 -0.000 0.000 0.210 289 L C 1.346 178.225 176.870 0.016 0.000 1.184 289 L CA 1.432 56.280 54.840 0.014 0.000 1.208 289 L CB -0.056 42.008 42.059 0.008 0.000 2.497 289 L HN 0.579 nan 8.230 nan 0.000 0.519 290 T N 0.427 114.988 114.554 0.013 0.000 3.092 290 T HA 0.163 4.513 4.350 -0.000 0.000 0.258 290 T C 0.407 175.117 174.700 0.017 0.000 1.031 290 T CA -0.145 61.962 62.100 0.012 0.000 0.925 290 T CB -0.025 68.846 68.868 0.004 0.000 1.036 290 T HN 0.214 nan 8.240 nan 0.000 0.544 291 E N 2.739 122.951 120.200 0.020 0.000 2.029 291 E HA 0.159 4.509 4.350 -0.000 0.000 0.276 291 E C -0.162 176.459 176.600 0.034 0.000 1.163 291 E CA -0.158 56.255 56.400 0.022 0.000 0.909 291 E CB 0.435 30.145 29.700 0.018 0.000 1.046 291 E HN 0.057 nan 8.360 nan 0.000 0.406 292 V N 6.299 126.234 119.914 0.037 0.000 2.673 292 V HA 0.067 4.187 4.120 -0.000 0.000 0.303 292 V C 0.063 176.191 176.094 0.056 0.000 1.046 292 V CA 0.458 62.791 62.300 0.056 0.000 1.126 292 V CB 0.387 32.241 31.823 0.051 0.000 0.934 292 V HN 0.545 nan 8.190 nan 0.000 0.487 293 I N 8.113 128.730 120.570 0.078 0.000 2.509 293 I HA 0.434 4.604 4.170 -0.000 0.000 0.293 293 I C -2.254 173.897 176.117 0.057 0.000 1.020 293 I CA -1.984 59.348 61.300 0.054 0.000 1.088 293 I CB 2.340 40.364 38.000 0.039 0.000 1.267 293 I HN 0.514 nan 8.210 nan 0.000 0.430 294 P HA 0.147 nan 4.420 nan 0.000 0.274 294 P C -0.672 176.619 177.300 -0.016 0.000 1.291 294 P CA -0.432 62.680 63.100 0.021 0.000 0.815 294 P CB 0.691 32.399 31.700 0.012 0.000 0.897 295 L N 4.666 125.865 121.223 -0.039 0.000 2.638 295 L HA 0.034 4.374 4.340 -0.000 0.000 0.273 295 L C 1.737 178.561 176.870 -0.077 0.000 1.147 295 L CA 0.909 55.679 54.840 -0.118 0.000 0.941 295 L CB -0.678 41.248 42.059 -0.222 0.000 1.251 295 L HN 0.466 nan 8.230 nan 0.000 0.479 296 T N -0.066 114.446 114.554 -0.070 0.000 2.640 296 T HA 0.060 4.410 4.350 -0.000 0.000 0.316 296 T C 1.206 175.873 174.700 -0.054 0.000 1.036 296 T CA -0.419 61.651 62.100 -0.051 0.000 1.009 296 T CB 0.608 69.449 68.868 -0.044 0.000 1.017 296 T HN 0.547 nan 8.240 nan 0.000 0.530 297 E N 0.837 121.013 120.200 -0.040 0.000 2.023 297 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 297 E C 2.211 178.783 176.600 -0.045 0.000 1.003 297 E CA 1.725 58.103 56.400 -0.037 0.000 0.809 297 E CB -0.537 29.147 29.700 -0.028 0.000 0.755 297 E HN 0.786 nan 8.360 nan 0.000 0.449 298 E N 1.080 121.252 120.200 -0.046 0.000 2.021 298 E HA -0.226 4.124 4.350 -0.000 0.000 0.200 298 E C 2.049 178.611 176.600 -0.063 0.000 1.015 298 E CA 1.554 57.925 56.400 -0.048 0.000 0.824 298 E CB -0.937 28.737 29.700 -0.045 0.000 0.762 298 E HN 0.292 nan 8.360 nan 0.000 0.454 299 A N 1.483 124.255 122.820 -0.079 0.000 1.903 299 A HA -0.347 3.973 4.320 -0.000 0.000 0.219 299 A C 2.239 179.747 177.584 -0.125 0.000 1.191 299 A CA 2.123 54.094 52.037 -0.111 0.000 0.638 299 A CB -0.675 18.241 19.000 -0.139 0.000 0.823 299 A HN 0.223 nan 8.150 nan 0.000 0.451 300 E N -0.233 119.898 120.200 -0.116 0.000 2.021 300 E HA -0.222 4.128 4.350 -0.000 0.000 0.200 300 E C 2.031 178.587 176.600 -0.074 0.000 1.015 300 E CA 1.768 58.105 56.400 -0.104 0.000 0.824 300 E CB -0.619 29.038 29.700 -0.072 0.000 0.762 300 E HN 0.502 nan 8.360 nan 0.000 0.454 301 L N 1.688 122.879 121.223 -0.055 0.000 2.051 301 L HA -0.210 4.129 4.340 -0.000 0.000 0.214 301 L C 2.263 179.108 176.870 -0.043 0.000 1.076 301 L CA 2.509 57.325 54.840 -0.040 0.000 0.758 301 L CB -0.812 41.227 42.059 -0.033 0.000 0.890 301 L HN 0.204 nan 8.230 nan 0.000 0.433 302 E N -0.763 119.404 120.200 -0.054 0.000 2.007 302 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 302 E C 2.211 178.777 176.600 -0.058 0.000 0.999 302 E CA 1.575 57.943 56.400 -0.053 0.000 0.811 302 E CB -0.400 29.263 29.700 -0.061 0.000 0.762 302 E HN 0.448 nan 8.360 nan 0.000 0.450 303 L N 1.236 122.408 121.223 -0.085 0.000 2.054 303 L HA -0.295 4.045 4.340 -0.000 0.000 0.220 303 L C 2.238 179.079 176.870 -0.048 0.000 1.081 303 L CA 2.609 57.396 54.840 -0.089 0.000 0.780 303 L CB -1.147 40.824 42.059 -0.146 0.000 0.893 303 L HN 0.245 nan 8.230 nan 0.000 0.438 304 A N -0.690 122.108 122.820 -0.038 0.000 1.873 304 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 304 A C 2.060 179.637 177.584 -0.012 0.000 1.193 304 A CA 2.079 54.106 52.037 -0.016 0.000 0.629 304 A CB -0.840 18.153 19.000 -0.013 0.000 0.826 304 A HN 0.691 nan 8.150 nan 0.000 0.447 305 E N 0.047 120.238 120.200 -0.015 0.000 2.097 305 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 305 E C 1.582 178.180 176.600 -0.005 0.000 1.000 305 E CA 1.259 57.654 56.400 -0.008 0.000 0.804 305 E CB -0.379 29.314 29.700 -0.011 0.000 0.740 305 E HN 0.589 nan 8.360 nan 0.000 0.454 306 N N 0.789 119.480 118.700 -0.015 0.000 2.381 306 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 306 N C 1.615 177.108 175.510 -0.029 0.000 1.025 306 N CA 0.697 53.735 53.050 -0.021 0.000 0.888 306 N CB -0.095 38.373 38.487 -0.032 0.000 0.965 306 N HN 0.215 nan 8.380 nan 0.000 0.438 307 R N 0.787 121.277 120.500 -0.017 0.000 2.057 307 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 307 R C 1.954 178.255 176.300 0.000 0.000 1.136 307 R CA 0.934 57.028 56.100 -0.011 0.000 0.952 307 R CB -0.241 30.061 30.300 0.004 0.000 0.848 307 R HN 0.096 nan 8.270 nan 0.000 0.430 308 E N 1.225 121.430 120.200 0.009 0.000 2.130 308 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 308 E C 1.686 178.308 176.600 0.036 0.000 0.998 308 E CA 1.333 57.744 56.400 0.020 0.000 0.806 308 E CB -0.184 29.526 29.700 0.016 0.000 0.738 308 E HN 0.275 nan 8.360 nan 0.000 0.459 309 I N -0.281 120.311 120.570 0.037 0.000 2.094 309 I HA -0.289 3.881 4.170 -0.000 0.000 0.234 309 I C 2.264 178.444 176.117 0.105 0.000 1.063 309 I CA 1.135 62.484 61.300 0.081 0.000 1.328 309 I CB -0.319 37.725 38.000 0.073 0.000 1.058 309 I HN 0.152 nan 8.210 nan 0.000 0.400 310 L N 1.049 122.253 121.223 -0.031 0.000 2.127 310 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 310 L C 2.579 179.448 176.870 -0.001 0.000 1.089 310 L CA 1.538 56.282 54.840 -0.159 0.000 0.757 310 L CB -0.866 41.052 42.059 -0.234 0.000 0.899 310 L HN 0.361 nan 8.230 nan 0.000 0.434 311 K N 0.038 120.455 120.400 0.027 0.000 2.113 311 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 311 K C 0.373 177.019 176.600 0.077 0.000 1.047 311 K CA 1.103 57.415 56.287 0.042 0.000 0.928 311 K CB -0.208 32.312 32.500 0.034 0.000 0.716 311 K HN 0.167 nan 8.250 nan 0.000 0.446 312 E N 2.752 123.023 120.200 0.118 0.000 2.229 312 E HA 0.217 4.567 4.350 -0.000 0.000 0.283 312 E C -2.287 174.441 176.600 0.212 0.000 1.030 312 E CA -2.732 53.745 56.400 0.129 0.000 0.836 312 E CB 1.212 30.974 29.700 0.104 0.000 1.068 312 E HN 0.280 nan 8.360 nan 0.000 0.401 313 P HA 0.159 nan 4.420 nan 0.000 0.275 313 P C -0.470 176.827 177.300 -0.006 0.000 1.227 313 P CA -0.288 62.891 63.100 0.131 0.000 0.781 313 P CB 1.072 32.806 31.700 0.056 0.000 0.906 314 V N 4.036 123.847 119.914 -0.171 0.000 2.686 314 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 314 V C -0.036 175.907 176.094 -0.252 0.000 1.065 314 V CA -0.530 61.572 62.300 -0.329 0.000 0.894 314 V CB 1.749 33.112 31.823 -0.766 0.000 1.004 314 V HN 0.837 nan 8.190 nan 0.000 0.424 315 H N 1.651 120.515 119.070 -0.343 0.000 2.731 315 H HA 0.924 5.480 4.556 -0.000 0.000 0.368 315 H C -0.143 174.908 175.328 -0.461 0.000 1.168 315 H CA -0.757 55.058 56.048 -0.389 0.000 1.181 315 H CB 2.342 31.948 29.762 -0.261 0.000 1.743 315 H HN 0.787 nan 8.280 nan 0.000 0.547 316 G N 0.595 108.865 108.800 -0.884 0.000 2.454 316 G HA2 0.459 4.419 3.960 -0.000 0.000 0.329 316 G HA3 0.459 4.419 3.960 -0.000 0.000 0.329 316 G C -1.105 173.465 174.900 -0.551 0.000 1.177 316 G CA -0.689 43.934 45.100 -0.796 0.000 0.951 316 G HN 0.582 nan 8.290 nan 0.000 0.485 317 V N 0.358 120.147 119.914 -0.209 0.000 3.234 317 V HA 0.611 4.731 4.120 -0.000 0.000 0.317 317 V C -0.418 175.859 176.094 0.304 0.000 1.081 317 V CA -0.952 61.297 62.300 -0.085 0.000 1.037 317 V CB 1.309 33.094 31.823 -0.064 0.000 1.148 317 V HN 0.673 nan 8.190 nan 0.000 0.453 318 Y N 0.840 121.273 120.300 0.221 0.000 2.496 318 Y HA 0.347 4.897 4.550 -0.000 0.000 0.325 318 Y C -0.711 175.331 175.900 0.237 0.000 1.271 318 Y CA -0.785 57.463 58.100 0.248 0.000 1.368 318 Y CB 1.089 39.658 38.460 0.181 0.000 1.415 318 Y HN 0.621 nan 8.280 nan 0.000 0.527 319 Y N 1.888 122.355 120.300 0.278 0.000 2.326 319 Y HA 0.183 4.733 4.550 -0.000 0.000 0.337 319 Y C -0.825 175.123 175.900 0.081 0.000 1.023 319 Y CA -1.496 56.686 58.100 0.136 0.000 1.143 319 Y CB 0.625 39.203 38.460 0.197 0.000 1.183 319 Y HN 0.408 nan 8.280 nan 0.000 0.485 320 D N 8.561 128.714 120.400 -0.410 0.000 2.349 320 D HA 0.313 4.953 4.640 -0.000 0.000 0.232 320 D C -2.092 173.676 176.300 -0.887 0.000 1.071 320 D CA -2.629 51.095 54.000 -0.460 0.000 0.832 320 D CB 1.914 42.595 40.800 -0.197 0.000 1.086 320 D HN 0.362 nan 8.370 nan 0.000 0.504 321 P HA -0.024 nan 4.420 nan 0.000 0.242 321 P C 0.544 177.674 177.300 -0.284 0.000 1.197 321 P CA 0.262 62.973 63.100 -0.649 0.000 0.765 321 P CB 0.415 31.923 31.700 -0.319 0.000 0.936 322 S N -0.635 114.919 115.700 -0.243 0.000 2.461 322 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 322 S C 1.011 175.547 174.600 -0.107 0.000 1.005 322 S CA 0.695 58.815 58.200 -0.133 0.000 0.942 322 S CB -0.120 63.016 63.200 -0.106 0.000 0.776 322 S HN 0.339 nan 8.310 nan 0.000 0.514 323 K N 0.872 121.193 120.400 -0.131 0.000 2.316 323 K HA 0.404 4.724 4.320 -0.000 0.000 0.234 323 K C -0.942 175.620 176.600 -0.064 0.000 1.054 323 K CA -0.968 55.270 56.287 -0.081 0.000 0.879 323 K CB 0.557 33.018 32.500 -0.066 0.000 1.252 323 K HN -0.059 nan 8.250 nan 0.000 0.471 324 D N 0.444 120.810 120.400 -0.058 0.000 2.398 324 D HA 0.216 4.856 4.640 -0.000 0.000 0.247 324 D C -0.718 175.507 176.300 -0.124 0.000 1.227 324 D CA -0.167 53.785 54.000 -0.080 0.000 0.980 324 D CB 0.721 41.465 40.800 -0.092 0.000 1.106 324 D HN 0.034 nan 8.370 nan 0.000 0.493 325 L N 1.238 122.332 121.223 -0.215 0.000 2.342 325 L HA 0.312 4.652 4.340 -0.000 0.000 0.276 325 L C -1.165 175.433 176.870 -0.454 0.000 0.997 325 L CA -0.451 54.161 54.840 -0.379 0.000 0.838 325 L CB 1.191 42.956 42.059 -0.490 0.000 1.224 325 L HN 0.170 nan 8.230 nan 0.000 0.416 326 I N 4.055 124.288 120.570 -0.563 0.000 2.412 326 I HA 0.768 4.938 4.170 -0.000 0.000 0.296 326 I C 0.101 175.746 176.117 -0.786 0.000 0.987 326 I CA -0.496 60.403 61.300 -0.668 0.000 1.180 326 I CB 1.857 39.423 38.000 -0.724 0.000 1.340 326 I HN 0.609 nan 8.210 nan 0.000 0.455 327 A N 5.039 127.463 122.820 -0.660 0.000 2.335 327 A HA 0.776 5.096 4.320 -0.000 0.000 0.304 327 A C -0.674 176.826 177.584 -0.141 0.000 1.118 327 A CA -0.542 51.211 52.037 -0.473 0.000 0.757 327 A CB 0.721 19.271 19.000 -0.749 0.000 1.188 327 A HN 0.709 nan 8.150 nan 0.000 0.460 328 E N 1.656 121.867 120.200 0.018 0.000 2.187 328 E HA 0.619 4.969 4.350 -0.000 0.000 0.268 328 E C -1.325 175.420 176.600 0.242 0.000 0.896 328 E CA -0.406 56.083 56.400 0.149 0.000 0.766 328 E CB 2.265 32.057 29.700 0.154 0.000 1.142 328 E HN 0.635 nan 8.360 nan 0.000 0.408 329 I N 3.079 123.801 120.570 0.253 0.000 2.545 329 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 329 I C -0.617 175.670 176.117 0.283 0.000 1.040 329 I CA -0.805 60.683 61.300 0.313 0.000 1.068 329 I CB 1.686 39.866 38.000 0.300 0.000 1.251 329 I HN 0.349 nan 8.210 nan 0.000 0.424 330 Q N 5.215 125.166 119.800 0.252 0.000 2.359 330 Q HA 0.440 4.780 4.340 -0.000 0.000 0.274 330 Q C -1.325 174.612 176.000 -0.105 0.000 1.074 330 Q CA -1.087 54.771 55.803 0.092 0.000 0.810 330 Q CB 2.729 31.491 28.738 0.040 0.000 1.342 330 Q HN 0.572 nan 8.270 nan 0.000 0.427 331 K N 1.560 121.654 120.400 -0.510 0.000 2.276 331 K HA 0.159 4.479 4.320 -0.000 0.000 0.283 331 K C 0.299 176.575 176.600 -0.539 0.000 1.044 331 K CA 0.121 55.719 56.287 -1.149 0.000 0.944 331 K CB 0.905 32.507 32.500 -1.497 0.000 1.012 331 K HN 0.664 nan 8.250 nan 0.000 0.472 332 Q N 2.117 121.646 119.800 -0.451 0.000 2.297 332 Q HA 0.135 4.475 4.340 -0.000 0.000 0.203 332 Q C 0.767 176.654 176.000 -0.188 0.000 0.931 332 Q CA 0.778 56.449 55.803 -0.220 0.000 0.885 332 Q CB 0.809 29.472 28.738 -0.124 0.000 0.991 332 Q HN 1.035 nan 8.270 nan 0.000 0.498 333 G N 0.147 108.812 108.800 -0.226 0.000 3.118 333 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.105 333 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.105 333 G C -0.693 174.162 174.900 -0.076 0.000 1.918 333 G CA -0.697 44.326 45.100 -0.129 0.000 1.038 333 G HN 0.072 nan 8.290 nan 0.000 0.293 334 Q N 1.518 121.292 119.800 -0.044 0.000 2.673 334 Q HA 0.458 4.798 4.340 -0.000 0.000 0.224 334 Q C 1.033 177.055 176.000 0.036 0.000 1.226 334 Q CA 0.281 56.081 55.803 -0.005 0.000 1.019 334 Q CB 0.672 29.402 28.738 -0.013 0.000 1.312 334 Q HN 1.468 nan 8.270 nan 0.000 0.566 335 G N 1.805 110.666 108.800 0.102 0.000 2.189 335 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.267 335 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.267 335 G C 0.145 175.221 174.900 0.295 0.000 0.975 335 G CA 0.079 45.318 45.100 0.231 0.000 0.644 335 G HN 0.513 nan 8.290 nan 0.000 0.537 336 Q N -1.031 118.830 119.800 0.101 0.000 2.256 336 Q HA 0.558 4.898 4.340 -0.000 0.000 0.254 336 Q C -0.826 175.121 176.000 -0.088 0.000 0.916 336 Q CA -0.429 55.424 55.803 0.083 0.000 0.932 336 Q CB 0.802 29.540 28.738 -0.000 0.000 1.207 336 Q HN 0.388 nan 8.270 nan 0.000 0.426 337 W N 0.953 122.336 121.300 0.138 0.000 2.998 337 W HA 0.382 5.042 4.660 -0.000 0.000 0.335 337 W C -0.573 176.070 176.519 0.207 0.000 1.110 337 W CA -0.433 57.023 57.345 0.185 0.000 1.230 337 W CB 1.882 31.498 29.460 0.261 0.000 1.405 337 W HN 0.506 nan 8.180 nan 0.000 0.493 338 T N -0.241 114.521 114.554 0.346 0.000 2.916 338 T HA 0.870 5.219 4.350 -0.000 0.000 0.292 338 T C -1.272 173.655 174.700 0.377 0.000 1.064 338 T CA -0.886 61.378 62.100 0.274 0.000 1.011 338 T CB 2.264 71.206 68.868 0.122 0.000 1.152 338 T HN 0.542 nan 8.240 nan 0.000 0.510 339 Y N -1.065 119.341 120.300 0.176 0.000 2.604 339 Y HA 0.665 5.215 4.550 -0.000 0.000 0.331 339 Y C -1.658 174.327 175.900 0.141 0.000 1.158 339 Y CA -1.298 56.901 58.100 0.164 0.000 1.056 339 Y CB 1.487 40.060 38.460 0.188 0.000 1.330 339 Y HN 0.806 nan 8.280 nan 0.000 0.457 340 Q N 3.664 123.644 119.800 0.300 0.000 2.347 340 Q HA 0.615 4.955 4.340 -0.000 0.000 0.271 340 Q C -1.667 174.461 176.000 0.214 0.000 1.064 340 Q CA -0.836 55.095 55.803 0.213 0.000 0.800 340 Q CB 3.126 31.964 28.738 0.167 0.000 1.304 340 Q HN 0.918 nan 8.270 nan 0.000 0.438 341 I N 3.539 124.208 120.570 0.166 0.000 2.362 341 I HA 0.506 4.676 4.170 -0.000 0.000 0.289 341 I C -0.996 175.078 176.117 -0.071 0.000 0.994 341 I CA -0.965 60.300 61.300 -0.059 0.000 1.158 341 I CB 0.863 38.869 38.000 0.010 0.000 1.315 341 I HN 0.674 nan 8.210 nan 0.000 0.451 342 Y N 3.217 123.445 120.300 -0.120 0.000 2.655 342 Y HA 0.517 5.067 4.550 -0.000 0.000 0.336 342 Y C -0.178 175.638 175.900 -0.140 0.000 1.154 342 Y CA -1.025 57.011 58.100 -0.107 0.000 1.055 342 Y CB 1.059 39.478 38.460 -0.068 0.000 1.295 342 Y HN 0.456 nan 8.280 nan 0.000 0.465 343 Q N -0.505 119.419 119.800 0.207 0.000 2.369 343 Q HA 0.248 4.588 4.340 -0.000 0.000 0.254 343 Q C -0.771 175.369 176.000 0.234 0.000 0.858 343 Q CA 0.103 55.978 55.803 0.120 0.000 0.961 343 Q CB 1.304 30.060 28.738 0.030 0.000 1.119 343 Q HN 0.546 nan 8.270 nan 0.000 0.538 344 E N 1.080 121.413 120.200 0.223 0.000 2.185 344 E HA 0.197 4.547 4.350 -0.000 0.000 0.261 344 E C -2.191 174.282 176.600 -0.213 0.000 0.879 344 E CA -2.177 54.255 56.400 0.053 0.000 0.756 344 E CB 1.565 31.297 29.700 0.052 0.000 1.152 344 E HN -0.130 nan 8.360 nan 0.000 0.416 345 P HA -0.204 nan 4.420 nan 0.000 0.220 345 P C 0.374 177.227 177.300 -0.746 0.000 1.149 345 P CA 1.502 64.177 63.100 -0.708 0.000 0.829 345 P CB 0.126 31.575 31.700 -0.418 0.000 0.772 346 F N -1.598 118.179 119.950 -0.289 0.000 2.414 346 F HA 0.249 4.776 4.527 -0.000 0.000 0.255 346 F C 1.341 177.034 175.800 -0.178 0.000 1.032 346 F CA 0.061 57.941 58.000 -0.200 0.000 1.049 346 F CB -0.859 38.062 39.000 -0.132 0.000 1.140 346 F HN -0.515 nan 8.300 nan 0.000 0.643 347 K N 1.410 121.854 120.400 0.074 0.000 2.382 347 K HA 0.085 4.405 4.320 -0.000 0.000 0.275 347 K C -0.296 176.275 176.600 -0.048 0.000 1.009 347 K CA -0.060 56.196 56.287 -0.052 0.000 0.970 347 K CB 0.186 32.614 32.500 -0.121 0.000 0.934 347 K HN 0.086 nan 8.250 nan 0.000 0.479 348 N N 2.025 120.691 118.700 -0.057 0.000 2.448 348 N HA 0.171 4.911 4.740 -0.000 0.000 0.274 348 N C 0.235 175.791 175.510 0.077 0.000 1.239 348 N CA -0.377 52.704 53.050 0.050 0.000 0.982 348 N CB 0.807 39.324 38.487 0.049 0.000 1.199 348 N HN 0.346 nan 8.380 nan 0.000 0.576 349 L N -0.353 120.972 121.223 0.170 0.000 2.547 349 L HA 0.368 4.708 4.340 -0.000 0.000 0.218 349 L C 0.249 177.350 176.870 0.385 0.000 1.048 349 L CA 1.334 56.337 54.840 0.272 0.000 0.859 349 L CB -0.074 42.092 42.059 0.179 0.000 1.128 349 L HN 0.600 nan 8.230 nan 0.000 0.483 350 K N -1.558 119.019 120.400 0.294 0.000 2.658 350 K HA 0.452 4.772 4.320 -0.000 0.000 0.293 350 K C -1.507 175.206 176.600 0.188 0.000 1.026 350 K CA 0.083 56.555 56.287 0.307 0.000 0.871 350 K CB 1.393 34.079 32.500 0.310 0.000 1.524 350 K HN 0.024 nan 8.250 nan 0.000 0.400 351 T N -1.470 113.139 114.554 0.092 0.000 2.816 351 T HA 0.885 5.235 4.350 -0.000 0.000 0.299 351 T C -0.195 174.277 174.700 -0.381 0.000 1.230 351 T CA -0.220 61.801 62.100 -0.132 0.000 1.007 351 T CB 1.946 70.771 68.868 -0.072 0.000 1.289 351 T HN 0.873 nan 8.240 nan 0.000 0.508 352 G N 0.156 108.453 108.800 -0.839 0.000 2.430 352 G HA2 0.653 4.613 3.960 -0.000 0.000 0.300 352 G HA3 0.653 4.613 3.960 -0.000 0.000 0.300 352 G C -2.139 172.476 174.900 -0.475 0.000 1.330 352 G CA -0.947 43.740 45.100 -0.688 0.000 0.813 352 G HN 1.000 nan 8.290 nan 0.000 0.487 353 K N -1.654 118.739 120.400 -0.011 0.000 2.509 353 K HA 0.740 5.060 4.320 -0.000 0.000 0.266 353 K C -2.149 174.682 176.600 0.385 0.000 0.987 353 K CA -1.159 55.254 56.287 0.211 0.000 0.868 353 K CB 2.928 35.499 32.500 0.118 0.000 1.421 353 K HN 0.754 nan 8.250 nan 0.000 0.444 354 Y N 0.358 120.837 120.300 0.298 0.000 2.307 354 Y HA 0.530 5.080 4.550 -0.000 0.000 0.323 354 Y C -2.041 174.013 175.900 0.256 0.000 1.100 354 Y CA -0.378 57.866 58.100 0.240 0.000 1.140 354 Y CB 1.916 40.490 38.460 0.191 0.000 1.159 354 Y HN 0.911 nan 8.280 nan 0.000 0.436 355 A N 5.639 128.177 122.820 -0.470 0.000 2.311 355 A HA 0.594 4.914 4.320 -0.000 0.000 0.306 355 A C -0.835 176.470 177.584 -0.467 0.000 1.189 355 A CA -1.009 50.875 52.037 -0.256 0.000 0.791 355 A CB 0.673 19.630 19.000 -0.073 0.000 1.172 355 A HN 0.768 nan 8.150 nan 0.000 0.481 356 R N 3.269 123.617 120.500 -0.255 0.000 2.630 356 R HA 0.205 4.545 4.340 -0.000 0.000 0.286 356 R C 0.463 176.727 176.300 -0.061 0.000 1.391 356 R CA 0.555 56.586 56.100 -0.116 0.000 1.027 356 R CB -0.859 29.502 30.300 0.101 0.000 1.099 356 R HN 0.821 nan 8.270 nan 0.000 0.525 357 M N 2.460 122.003 119.600 -0.095 0.000 2.193 357 M HA -0.001 4.479 4.480 -0.000 0.000 0.265 357 M C 0.509 176.803 176.300 -0.010 0.000 1.071 357 M CA 1.031 56.304 55.300 -0.046 0.000 1.140 357 M CB -0.106 32.464 32.600 -0.050 0.000 1.369 357 M HN 0.326 nan 8.290 nan 0.000 0.423 358 R N 2.277 122.781 120.500 0.007 0.000 2.494 358 R HA 0.197 4.537 4.340 -0.000 0.000 0.291 358 R C 0.916 177.243 176.300 0.045 0.000 0.953 358 R CA 0.364 56.486 56.100 0.037 0.000 1.098 358 R CB -1.019 29.320 30.300 0.064 0.000 0.911 358 R HN 0.483 nan 8.270 nan 0.000 0.407 359 G N 2.185 111.010 108.800 0.043 0.000 2.574 359 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.286 359 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.286 359 G C 0.237 175.139 174.900 0.003 0.000 1.212 359 G CA 0.460 45.587 45.100 0.044 0.000 0.979 359 G HN 1.157 nan 8.290 nan 0.000 0.557 360 A N -1.555 121.251 122.820 -0.022 0.000 2.446 360 A HA 0.575 4.895 4.320 -0.000 0.000 0.218 360 A C -0.101 177.273 177.584 -0.350 0.000 1.200 360 A CA 1.024 52.967 52.037 -0.157 0.000 1.259 360 A CB -0.145 18.733 19.000 -0.204 0.000 1.136 360 A HN 1.460 nan 8.150 nan 0.000 0.450 361 H N -0.036 119.076 119.070 0.070 0.000 2.809 361 H HA 0.351 4.907 4.556 -0.000 0.000 0.268 361 H C -0.911 174.466 175.328 0.082 0.000 1.403 361 H CA -0.000 56.088 56.048 0.067 0.000 1.564 361 H CB 1.134 30.933 29.762 0.062 0.000 1.834 361 H HN 0.212 nan 8.280 nan 0.000 0.613 362 T N 0.961 115.623 114.554 0.180 0.000 2.907 362 T HA 0.199 4.549 4.350 -0.000 0.000 0.292 362 T C -0.183 174.572 174.700 0.092 0.000 1.043 362 T CA -0.952 61.229 62.100 0.134 0.000 1.003 362 T CB 1.845 70.781 68.868 0.114 0.000 1.084 362 T HN 0.449 nan 8.240 nan 0.000 0.483 363 N N 0.644 119.361 118.700 0.028 0.000 2.495 363 N HA 0.133 4.873 4.740 -0.000 0.000 0.280 363 N C 0.306 175.795 175.510 -0.035 0.000 1.168 363 N CA -0.210 52.803 53.050 -0.061 0.000 0.978 363 N CB 1.707 40.049 38.487 -0.241 0.000 1.191 363 N HN 0.517 nan 8.380 nan 0.000 0.497 364 D N 0.897 121.296 120.400 -0.002 0.000 2.178 364 D HA -0.047 4.593 4.640 -0.000 0.000 0.202 364 D C 1.645 177.959 176.300 0.024 0.000 0.974 364 D CA 0.872 54.955 54.000 0.137 0.000 0.841 364 D CB 0.342 41.281 40.800 0.232 0.000 0.953 364 D HN 0.294 nan 8.370 nan 0.000 0.478 365 V N 0.164 119.975 119.914 -0.172 0.000 2.488 365 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 365 V C 2.268 178.251 176.094 -0.185 0.000 1.046 365 V CA 1.135 63.311 62.300 -0.207 0.000 1.053 365 V CB -0.231 31.313 31.823 -0.465 0.000 0.679 365 V HN 0.154 nan 8.190 nan 0.000 0.458 366 K N -0.147 120.122 120.400 -0.218 0.000 2.026 366 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 366 K C 2.273 178.753 176.600 -0.199 0.000 1.048 366 K CA 1.893 58.084 56.287 -0.160 0.000 0.929 366 K CB -0.107 32.315 32.500 -0.130 0.000 0.713 366 K HN 0.429 nan 8.250 nan 0.000 0.439 367 Q N 0.390 120.057 119.800 -0.221 0.000 2.096 367 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 367 Q C 2.112 177.628 176.000 -0.807 0.000 0.982 367 Q CA 1.454 57.033 55.803 -0.372 0.000 0.850 367 Q CB -0.120 28.482 28.738 -0.226 0.000 0.901 367 Q HN 0.239 nan 8.270 nan 0.000 0.422 368 L N 0.186 120.914 121.223 -0.825 0.000 2.081 368 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 368 L C 1.927 178.437 176.870 -0.600 0.000 1.080 368 L CA 2.160 56.482 54.840 -0.864 0.000 0.754 368 L CB -0.832 40.991 42.059 -0.393 0.000 0.893 368 L HN 0.220 nan 8.230 nan 0.000 0.433 369 T N -0.983 113.352 114.554 -0.365 0.000 2.770 369 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 369 T C 1.633 176.083 174.700 -0.418 0.000 1.039 369 T CA 1.319 63.257 62.100 -0.270 0.000 1.142 369 T CB -0.277 68.589 68.868 -0.004 0.000 0.868 369 T HN 0.446 nan 8.240 nan 0.000 0.435 370 E N 1.532 121.456 120.200 -0.459 0.000 2.147 370 E HA -0.172 4.178 4.350 -0.000 0.000 0.199 370 E C 2.494 178.561 176.600 -0.888 0.000 1.005 370 E CA 1.111 57.178 56.400 -0.555 0.000 0.810 370 E CB -0.293 29.122 29.700 -0.475 0.000 0.736 370 E HN 0.516 nan 8.360 nan 0.000 0.460 371 A N 1.081 123.258 122.820 -1.073 0.000 1.832 371 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 371 A C 2.565 179.768 177.584 -0.635 0.000 1.200 371 A CA 1.398 52.889 52.037 -0.910 0.000 0.610 371 A CB -0.950 17.629 19.000 -0.703 0.000 0.842 371 A HN 0.120 nan 8.150 nan 0.000 0.444 372 V N 0.349 119.845 119.914 -0.697 0.000 2.363 372 V HA -0.362 3.758 4.120 -0.000 0.000 0.254 372 V C 2.794 178.501 176.094 -0.644 0.000 1.074 372 V CA 2.672 64.406 62.300 -0.943 0.000 1.069 372 V CB -0.912 30.260 31.823 -1.085 0.000 0.659 372 V HN 0.762 nan 8.190 nan 0.000 0.455 373 Q N 0.738 120.254 119.800 -0.474 0.000 2.046 373 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 373 Q C 2.256 178.132 176.000 -0.206 0.000 0.975 373 Q CA 2.174 57.803 55.803 -0.289 0.000 0.836 373 Q CB -0.487 28.114 28.738 -0.229 0.000 0.896 373 Q HN 0.632 nan 8.270 nan 0.000 0.428 374 K N -0.202 120.049 120.400 -0.248 0.000 2.113 374 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 374 K C 1.801 178.359 176.600 -0.071 0.000 1.047 374 K CA 1.718 57.940 56.287 -0.109 0.000 0.928 374 K CB -0.237 32.238 32.500 -0.042 0.000 0.716 374 K HN 0.377 nan 8.250 nan 0.000 0.446 375 I N 0.385 120.856 120.570 -0.164 0.000 2.406 375 I HA -0.172 3.998 4.170 -0.000 0.000 0.249 375 I C 2.032 178.177 176.117 0.047 0.000 1.122 375 I CA 1.023 62.256 61.300 -0.111 0.000 1.431 375 I CB -0.451 37.416 38.000 -0.221 0.000 1.087 375 I HN 0.164 nan 8.210 nan 0.000 0.424 376 T N 0.306 114.891 114.554 0.052 0.000 2.684 376 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 376 T C 1.935 176.658 174.700 0.038 0.000 1.036 376 T CA 2.114 64.261 62.100 0.079 0.000 1.148 376 T CB -0.547 68.331 68.868 0.016 0.000 0.863 376 T HN 0.336 nan 8.240 nan 0.000 0.436 377 T N 1.621 116.180 114.554 0.008 0.000 2.720 377 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 377 T C 1.901 176.604 174.700 0.005 0.000 1.037 377 T CA 1.522 63.627 62.100 0.008 0.000 1.144 377 T CB -0.258 68.614 68.868 0.007 0.000 0.864 377 T HN 0.555 nan 8.240 nan 0.000 0.444 378 E N 0.737 120.947 120.200 0.017 0.000 2.031 378 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 378 E C 2.390 178.943 176.600 -0.079 0.000 0.994 378 E CA 1.337 57.732 56.400 -0.007 0.000 0.800 378 E CB -0.033 29.708 29.700 0.068 0.000 0.752 378 E HN 0.412 nan 8.360 nan 0.000 0.447 379 S N 0.912 116.650 115.700 0.062 0.000 2.370 379 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 379 S C 2.021 176.645 174.600 0.040 0.000 1.033 379 S CA 1.254 59.571 58.200 0.194 0.000 1.011 379 S CB -0.375 63.046 63.200 0.369 0.000 0.852 379 S HN 0.306 nan 8.310 nan 0.000 0.457 380 I N 1.464 122.049 120.570 0.024 0.000 2.194 380 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 380 I C 2.163 178.246 176.117 -0.057 0.000 1.093 380 I CA 1.115 62.416 61.300 0.001 0.000 1.355 380 I CB -0.610 37.394 38.000 0.007 0.000 1.046 380 I HN 0.186 nan 8.210 nan 0.000 0.413 381 V N 0.872 120.723 119.914 -0.104 0.000 2.379 381 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 381 V C 2.202 178.143 176.094 -0.256 0.000 1.044 381 V CA 1.660 63.875 62.300 -0.141 0.000 1.036 381 V CB -0.315 31.431 31.823 -0.128 0.000 0.664 381 V HN 0.314 nan 8.190 nan 0.000 0.453 382 I N -1.463 118.827 120.570 -0.467 0.000 2.235 382 I HA -0.133 4.037 4.170 -0.000 0.000 0.241 382 I C 2.151 177.785 176.117 -0.804 0.000 1.085 382 I CA 1.550 62.352 61.300 -0.829 0.000 1.378 382 I CB -0.246 36.790 38.000 -1.608 0.000 1.076 382 I HN 0.378 nan 8.210 nan 0.000 0.415 383 W N 0.203 121.340 121.300 -0.272 0.000 2.975 383 W HA 0.376 5.036 4.660 -0.000 0.000 0.316 383 W C 1.464 177.864 176.519 -0.198 0.000 1.131 383 W CA 0.637 57.746 57.345 -0.392 0.000 1.624 383 W CB -0.252 28.779 29.460 -0.714 0.000 1.038 383 W HN 0.353 nan 8.180 nan 0.000 0.571 384 G N 2.181 111.010 108.800 0.047 0.000 2.143 384 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.249 384 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.249 384 G C 0.165 175.101 174.900 0.061 0.000 0.981 384 G CA 0.880 46.006 45.100 0.044 0.000 0.665 384 G HN 0.370 nan 8.290 nan 0.000 0.528 385 K N -1.211 119.235 120.400 0.077 0.000 2.548 385 K HA 0.733 5.052 4.320 -0.000 0.000 0.282 385 K C -0.353 176.267 176.600 0.034 0.000 1.006 385 K CA -0.487 55.829 56.287 0.048 0.000 0.892 385 K CB 0.900 33.426 32.500 0.043 0.000 1.499 385 K HN 0.378 nan 8.250 nan 0.000 0.433 386 T N -0.338 114.214 114.554 -0.004 0.000 2.882 386 T HA 0.448 4.798 4.350 -0.000 0.000 0.287 386 T C -1.964 172.651 174.700 -0.142 0.000 0.992 386 T CA -1.467 60.611 62.100 -0.037 0.000 1.076 386 T CB 0.966 69.822 68.868 -0.020 0.000 0.961 386 T HN 0.471 nan 8.240 nan 0.000 0.490 387 P HA 0.344 nan 4.420 nan 0.000 0.279 387 P C -0.824 176.158 177.300 -0.529 0.000 1.282 387 P CA -0.793 62.024 63.100 -0.471 0.000 0.788 387 P CB 0.937 32.232 31.700 -0.675 0.000 1.139 388 K N 0.158 120.248 120.400 -0.516 0.000 2.159 388 K HA 0.440 4.760 4.320 -0.000 0.000 0.266 388 K C -0.447 175.831 176.600 -0.537 0.000 0.975 388 K CA -0.417 55.648 56.287 -0.370 0.000 0.865 388 K CB 0.659 33.024 32.500 -0.225 0.000 1.087 388 K HN 0.312 nan 8.250 nan 0.000 0.446 389 F N 1.624 121.521 119.950 -0.090 0.000 2.399 389 F HA 0.352 4.879 4.527 -0.000 0.000 0.328 389 F C 0.476 176.277 175.800 0.001 0.000 1.084 389 F CA -0.397 57.561 58.000 -0.070 0.000 1.053 389 F CB 1.241 40.187 39.000 -0.090 0.000 1.209 389 F HN 0.125 nan 8.300 nan 0.000 0.502 390 K N 4.102 124.617 120.400 0.190 0.000 2.579 390 K HA 0.649 4.969 4.320 -0.000 0.000 0.250 390 K C -1.661 175.067 176.600 0.213 0.000 0.952 390 K CA -0.448 55.933 56.287 0.157 0.000 0.857 390 K CB 1.672 34.213 32.500 0.067 0.000 1.123 390 K HN 0.482 nan 8.250 nan 0.000 0.433 391 L N 2.313 123.701 121.223 0.275 0.000 2.424 391 L HA 0.533 4.873 4.340 -0.000 0.000 0.258 391 L C -2.337 174.740 176.870 0.344 0.000 0.995 391 L CA -2.277 52.714 54.840 0.252 0.000 0.821 391 L CB 2.130 44.265 42.059 0.128 0.000 1.383 391 L HN 0.363 nan 8.230 nan 0.000 0.410 392 P HA 0.166 nan 4.420 nan 0.000 0.238 392 P C -0.653 176.916 177.300 0.448 0.000 1.714 392 P CA 0.551 63.875 63.100 0.372 0.000 0.908 392 P CB 0.097 31.940 31.700 0.238 0.000 1.893 393 I N -0.906 120.003 120.570 0.565 0.000 2.692 393 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 393 I C -1.360 174.922 176.117 0.276 0.000 1.200 393 I CA -0.911 60.580 61.300 0.319 0.000 1.036 393 I CB 2.778 40.862 38.000 0.140 0.000 1.258 393 I HN -0.254 nan 8.210 nan 0.000 0.421 394 Q N 6.010 125.776 119.800 -0.057 0.000 2.290 394 Q HA 0.241 4.581 4.340 -0.000 0.000 0.259 394 Q C 0.573 176.668 176.000 0.159 0.000 0.941 394 Q CA -0.080 55.575 55.803 -0.248 0.000 0.912 394 Q CB 2.057 30.475 28.738 -0.534 0.000 1.244 394 Q HN 0.839 nan 8.270 nan 0.000 0.441 395 K N 2.879 123.423 120.400 0.240 0.000 2.056 395 K HA -0.373 3.947 4.320 -0.000 0.000 0.225 395 K C 1.236 178.005 176.600 0.281 0.000 1.053 395 K CA 2.512 59.029 56.287 0.383 0.000 0.966 395 K CB 0.046 32.634 32.500 0.146 0.000 0.735 395 K HN 0.596 nan 8.250 nan 0.000 0.455 396 E N 0.083 120.347 120.200 0.106 0.000 2.136 396 E HA -0.230 4.120 4.350 -0.000 0.000 0.208 396 E C 1.520 178.157 176.600 0.062 0.000 1.035 396 E CA 2.685 59.117 56.400 0.052 0.000 0.838 396 E CB -0.585 29.107 29.700 -0.012 0.000 0.748 396 E HN 0.563 nan 8.360 nan 0.000 0.459 397 T N 0.340 114.937 114.554 0.072 0.000 2.496 397 T HA -0.220 4.130 4.350 -0.000 0.000 0.254 397 T C 1.407 176.187 174.700 0.133 0.000 1.161 397 T CA 1.211 63.342 62.100 0.052 0.000 1.231 397 T CB -1.264 67.629 68.868 0.042 0.000 0.866 397 T HN 0.460 nan 8.240 nan 0.000 0.396 398 W N 2.221 123.563 121.300 0.070 0.000 2.286 398 W HA -0.311 4.348 4.660 -0.000 0.000 0.341 398 W C 2.227 178.869 176.519 0.205 0.000 1.359 398 W CA 2.310 59.736 57.345 0.136 0.000 1.269 398 W CB -0.771 28.762 29.460 0.121 0.000 1.123 398 W HN 0.482 nan 8.180 nan 0.000 0.467 399 E N -0.703 119.728 120.200 0.386 0.000 2.147 399 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 399 E C 2.087 178.374 176.600 -0.521 0.000 1.005 399 E CA 2.523 58.893 56.400 -0.050 0.000 0.810 399 E CB -0.259 29.553 29.700 0.187 0.000 0.736 399 E HN 0.230 nan 8.360 nan 0.000 0.460 400 T N 0.291 114.723 114.554 -0.203 0.000 2.652 400 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 400 T C 1.212 175.807 174.700 -0.176 0.000 1.039 400 T CA 1.402 63.391 62.100 -0.185 0.000 1.153 400 T CB -0.572 68.264 68.868 -0.053 0.000 0.863 400 T HN 0.461 nan 8.240 nan 0.000 0.428 401 W N 1.506 122.582 121.300 -0.374 0.000 2.333 401 W HA -0.136 4.524 4.660 -0.000 0.000 0.316 401 W C 2.319 178.647 176.519 -0.319 0.000 1.215 401 W CA 1.064 58.191 57.345 -0.362 0.000 1.278 401 W CB -0.281 28.915 29.460 -0.440 0.000 1.154 401 W HN 0.522 nan 8.180 nan 0.000 0.486 402 W N 0.903 121.919 121.300 -0.475 0.000 2.538 402 W HA -0.075 4.585 4.660 -0.000 0.000 0.254 402 W C 0.970 177.309 176.519 -0.301 0.000 1.249 402 W CA 1.225 58.275 57.345 -0.492 0.000 1.253 402 W CB -1.155 28.024 29.460 -0.468 0.000 1.130 402 W HN -0.232 nan 8.180 nan 0.000 0.618 403 T N 1.110 115.328 114.554 -0.560 0.000 3.010 403 T HA -0.056 4.294 4.350 -0.000 0.000 0.252 403 T C 1.460 175.973 174.700 -0.311 0.000 1.047 403 T CA 1.175 62.925 62.100 -0.584 0.000 1.140 403 T CB 0.028 68.391 68.868 -0.842 0.000 0.885 403 T HN 0.196 nan 8.240 nan 0.000 0.464 404 E N -0.148 119.853 120.200 -0.332 0.000 2.170 404 E HA 0.033 4.383 4.350 -0.000 0.000 0.191 404 E C -0.008 176.352 176.600 -0.399 0.000 0.981 404 E CA 0.085 56.318 56.400 -0.278 0.000 0.830 404 E CB 0.099 29.703 29.700 -0.160 0.000 0.775 404 E HN 0.355 nan 8.360 nan 0.000 0.470 405 Y N 2.099 121.856 120.300 -0.906 0.000 2.526 405 Y HA -0.147 4.403 4.550 -0.000 0.000 0.330 405 Y C 1.013 176.594 175.900 -0.531 0.000 1.156 405 Y CA -0.947 56.560 58.100 -0.989 0.000 1.419 405 Y CB 0.294 37.948 38.460 -1.344 0.000 1.250 405 Y HN 0.161 nan 8.280 nan 0.000 0.540 406 W N 3.802 124.659 121.300 -0.738 0.000 2.525 406 W HA 0.004 4.664 4.660 -0.000 0.000 0.259 406 W C -0.263 175.919 176.519 -0.561 0.000 1.253 406 W CA 0.114 57.129 57.345 -0.550 0.000 1.262 406 W CB -0.222 28.973 29.460 -0.442 0.000 1.122 406 W HN 0.514 nan 8.180 nan 0.000 0.607 407 Q N 1.107 119.967 119.800 -1.568 0.000 2.215 407 Q HA 0.554 4.894 4.340 -0.000 0.000 0.256 407 Q C -0.525 175.199 176.000 -0.460 0.000 0.972 407 Q CA -0.461 54.724 55.803 -1.030 0.000 0.889 407 Q CB 2.046 29.827 28.738 -1.595 0.000 1.281 407 Q HN 0.022 nan 8.270 nan 0.000 0.456 408 A N 1.537 124.220 122.820 -0.228 0.000 2.309 408 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 408 A C -0.239 177.295 177.584 -0.084 0.000 1.165 408 A CA -0.112 51.849 52.037 -0.127 0.000 0.821 408 A CB 0.682 19.624 19.000 -0.098 0.000 1.102 408 A HN 0.796 nan 8.150 nan 0.000 0.500 409 T N -1.765 112.760 114.554 -0.048 0.000 2.742 409 T HA 0.692 5.042 4.350 -0.000 0.000 0.282 409 T C -0.696 174.094 174.700 0.150 0.000 1.025 409 T CA -0.626 61.499 62.100 0.043 0.000 1.020 409 T CB 1.413 70.324 68.868 0.072 0.000 1.317 409 T HN 1.108 nan 8.240 nan 0.000 0.538 410 W N 1.529 122.788 121.300 -0.069 0.000 1.896 410 W HA 0.432 5.092 4.660 -0.000 0.000 0.302 410 W C -1.691 174.783 176.519 -0.075 0.000 1.016 410 W CA -1.084 56.205 57.345 -0.093 0.000 1.200 410 W CB 0.747 30.152 29.460 -0.092 0.000 1.226 410 W HN 0.665 nan 8.180 nan 0.000 0.308 411 I N 7.819 128.350 120.570 -0.065 0.000 2.421 411 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 411 I C -1.266 174.335 176.117 -0.860 0.000 1.089 411 I CA -2.310 58.673 61.300 -0.528 0.000 1.354 411 I CB 0.410 37.945 38.000 -0.776 0.000 1.413 411 I HN 0.181 nan 8.210 nan 0.000 0.513 412 P HA 0.079 nan 4.420 nan 0.000 0.312 412 P C -0.761 176.385 177.300 -0.257 0.000 1.307 412 P CA -0.435 62.218 63.100 -0.745 0.000 0.738 412 P CB 0.210 31.611 31.700 -0.498 0.000 1.422 413 E N 0.129 120.254 120.200 -0.125 0.000 2.765 413 E HA -0.024 4.326 4.350 -0.000 0.000 0.256 413 E C -0.439 176.267 176.600 0.177 0.000 0.935 413 E CA 0.837 57.239 56.400 0.004 0.000 0.954 413 E CB -0.252 29.428 29.700 -0.033 0.000 0.908 413 E HN 0.395 nan 8.360 nan 0.000 0.500 414 W N 3.007 124.238 121.300 -0.114 0.000 3.573 414 W HA 0.424 5.083 4.660 -0.000 0.000 0.306 414 W C -1.555 174.939 176.519 -0.041 0.000 1.227 414 W CA -0.897 56.402 57.345 -0.076 0.000 1.212 414 W CB 0.450 29.811 29.460 -0.165 0.000 1.331 414 W HN 0.518 nan 8.180 nan 0.000 0.524 415 E N 3.583 123.802 120.200 0.031 0.000 2.179 415 E HA 0.417 4.767 4.350 -0.000 0.000 0.275 415 E C -1.523 175.126 176.600 0.082 0.000 0.945 415 E CA -0.844 55.501 56.400 -0.093 0.000 0.792 415 E CB 1.801 31.476 29.700 -0.042 0.000 1.125 415 E HN 0.270 nan 8.360 nan 0.000 0.397 416 F N 4.817 124.667 119.950 -0.166 0.000 2.456 416 F HA 0.280 4.807 4.527 -0.000 0.000 0.358 416 F C -0.984 174.844 175.800 0.046 0.000 1.095 416 F CA -0.464 57.543 58.000 0.012 0.000 1.216 416 F CB 0.958 39.930 39.000 -0.048 0.000 1.125 416 F HN 0.183 nan 8.300 nan 0.000 0.549 417 V N 6.961 126.528 119.914 -0.579 0.000 2.284 417 V HA 0.115 4.235 4.120 -0.000 0.000 0.274 417 V C -0.362 175.158 176.094 -0.958 0.000 1.023 417 V CA -0.914 61.012 62.300 -0.623 0.000 0.808 417 V CB 0.733 32.450 31.823 -0.176 0.000 1.035 417 V HN 0.747 nan 8.190 nan 0.000 0.445 418 N N 4.253 122.183 118.700 -1.283 0.000 2.400 418 N HA 0.186 4.926 4.740 -0.000 0.000 0.278 418 N C -0.206 175.177 175.510 -0.211 0.000 1.247 418 N CA 0.467 53.126 53.050 -0.652 0.000 0.970 418 N CB 0.343 38.656 38.487 -0.290 0.000 1.312 418 N HN 0.759 nan 8.380 nan 0.000 0.488 419 T N 1.211 115.714 114.554 -0.086 0.000 3.435 419 T HA 0.395 4.745 4.350 -0.000 0.000 0.344 419 T C -3.107 171.603 174.700 0.016 0.000 1.211 419 T CA -1.539 60.541 62.100 -0.033 0.000 1.104 419 T CB 1.350 70.188 68.868 -0.050 0.000 1.196 419 T HN 0.086 nan 8.240 nan 0.000 0.471 420 P HA 0.278 nan 4.420 nan 0.000 0.268 420 P C -1.686 175.621 177.300 0.011 0.000 1.205 420 P CA -0.694 62.423 63.100 0.029 0.000 0.771 420 P CB -0.002 31.714 31.700 0.026 0.000 0.858 421 P HA 0.242 nan 4.420 nan 0.000 0.282 421 P C -1.186 176.151 177.300 0.061 0.000 1.286 421 P CA -0.055 63.061 63.100 0.027 0.000 0.777 421 P CB 0.560 32.256 31.700 -0.007 0.000 1.184 422 L N -0.611 120.658 121.223 0.076 0.000 2.470 422 L HA 0.297 4.637 4.340 -0.000 0.000 0.268 422 L C -0.874 176.044 176.870 0.079 0.000 0.964 422 L CA -0.820 54.078 54.840 0.097 0.000 0.839 422 L CB 2.135 44.234 42.059 0.067 0.000 1.276 422 L HN 0.025 nan 8.230 nan 0.000 0.403 423 V N 5.345 125.338 119.914 0.132 0.000 2.488 423 V HA 0.533 4.653 4.120 -0.000 0.000 0.277 423 V C -0.134 175.945 176.094 -0.024 0.000 1.046 423 V CA -0.217 62.155 62.300 0.119 0.000 0.986 423 V CB 0.755 32.699 31.823 0.202 0.000 0.989 423 V HN 0.843 nan 8.190 nan 0.000 0.475 424 K N 4.390 124.699 120.400 -0.152 0.000 2.625 424 K HA 0.523 4.843 4.320 -0.000 0.000 0.284 424 K C -1.759 174.585 176.600 -0.427 0.000 0.984 424 K CA -1.064 55.044 56.287 -0.299 0.000 0.865 424 K CB 1.521 33.785 32.500 -0.393 0.000 1.468 424 K HN 0.344 nan 8.250 nan 0.000 0.407 425 L N 2.001 123.008 121.223 -0.360 0.000 2.319 425 L HA 0.219 4.559 4.340 -0.000 0.000 0.280 425 L C 0.173 176.858 176.870 -0.308 0.000 1.099 425 L CA -0.507 54.139 54.840 -0.323 0.000 0.828 425 L CB 0.123 42.006 42.059 -0.294 0.000 1.150 425 L HN 0.695 nan 8.230 nan 0.000 0.442 426 W N 2.900 124.115 121.300 -0.143 0.000 2.863 426 W HA 0.064 4.724 4.660 -0.000 0.000 0.258 426 W C 0.192 176.779 176.519 0.113 0.000 1.298 426 W CA -0.176 57.176 57.345 0.011 0.000 1.451 426 W CB -0.154 29.365 29.460 0.097 0.000 1.107 426 W HN 0.501 nan 8.180 nan 0.000 0.641 427 Y N -2.497 117.896 120.300 0.156 0.000 2.779 427 Y HA 0.599 5.149 4.550 -0.000 0.000 0.340 427 Y C -1.258 174.678 175.900 0.059 0.000 1.252 427 Y CA -2.268 55.890 58.100 0.097 0.000 1.072 427 Y CB 0.440 38.963 38.460 0.106 0.000 1.343 427 Y HN -0.130 nan 8.280 nan 0.000 0.450 428 Q N 2.168 122.117 119.800 0.248 0.000 2.295 428 Q HA 0.536 4.876 4.340 -0.000 0.000 0.268 428 Q C -1.475 174.681 176.000 0.261 0.000 1.010 428 Q CA -0.917 54.974 55.803 0.148 0.000 0.856 428 Q CB 3.325 32.107 28.738 0.073 0.000 1.349 428 Q HN 0.707 nan 8.270 nan 0.000 0.412 429 L N 1.273 122.649 121.223 0.254 0.000 2.453 429 L HA 0.287 4.627 4.340 -0.000 0.000 0.261 429 L C 0.663 177.641 176.870 0.180 0.000 1.179 429 L CA -0.552 54.416 54.840 0.213 0.000 0.813 429 L CB 0.265 42.427 42.059 0.173 0.000 1.110 429 L HN 0.459 nan 8.230 nan 0.000 0.466 430 E N 1.110 121.433 120.200 0.205 0.000 2.373 430 E HA 0.096 4.446 4.350 -0.000 0.000 0.263 430 E C 0.104 176.873 176.600 0.282 0.000 1.073 430 E CA -0.162 56.367 56.400 0.214 0.000 0.894 430 E CB 1.154 30.980 29.700 0.210 0.000 1.008 430 E HN 0.425 nan 8.360 nan 0.000 0.420 431 K N 0.717 121.240 120.400 0.206 0.000 2.379 431 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 431 K C 0.117 176.862 176.600 0.241 0.000 1.031 431 K CA 0.394 56.808 56.287 0.210 0.000 1.037 431 K CB 0.604 33.172 32.500 0.115 0.000 0.824 431 K HN 0.258 nan 8.250 nan 0.000 0.516 432 E N 1.089 121.356 120.200 0.112 0.000 2.292 432 E HA 0.237 4.587 4.350 -0.000 0.000 0.272 432 E C -2.739 173.521 176.600 -0.567 0.000 0.881 432 E CA -2.455 53.854 56.400 -0.151 0.000 0.754 432 E CB 1.966 31.614 29.700 -0.086 0.000 1.201 432 E HN -0.113 nan 8.360 nan 0.000 0.425 433 P HA 0.063 nan 4.420 nan 0.000 0.266 433 P C -0.083 176.965 177.300 -0.420 0.000 1.193 433 P CA 0.195 62.610 63.100 -1.141 0.000 0.770 433 P CB 0.639 31.859 31.700 -0.800 0.000 0.836 434 I N 2.167 122.599 120.570 -0.231 0.000 2.325 434 I HA 0.109 4.278 4.170 -0.000 0.000 0.291 434 I C 0.547 176.616 176.117 -0.080 0.000 1.019 434 I CA -0.949 60.290 61.300 -0.102 0.000 1.302 434 I CB 1.041 39.025 38.000 -0.027 0.000 1.401 434 I HN 0.054 nan 8.210 nan 0.000 0.485 435 V N 6.371 126.244 119.914 -0.069 0.000 2.655 435 V HA 0.339 4.459 4.120 -0.000 0.000 0.300 435 V C 1.279 177.351 176.094 -0.036 0.000 1.044 435 V CA 0.991 63.259 62.300 -0.053 0.000 1.095 435 V CB 0.270 32.066 31.823 -0.045 0.000 0.952 435 V HN 1.164 nan 8.190 nan 0.000 0.485 436 G N 3.301 112.081 108.800 -0.034 0.000 2.527 436 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 436 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 436 G C 0.642 175.522 174.900 -0.032 0.000 1.177 436 G CA 0.125 45.207 45.100 -0.030 0.000 0.695 436 G HN 1.711 nan 8.290 nan 0.000 0.517 437 A N 1.187 123.992 122.820 -0.024 0.000 2.565 437 A HA 0.450 4.770 4.320 -0.000 0.000 0.237 437 A C 0.583 178.139 177.584 -0.047 0.000 1.053 437 A CA 1.336 53.364 52.037 -0.015 0.000 0.755 437 A CB 0.026 19.034 19.000 0.014 0.000 0.980 437 A HN 0.995 nan 8.150 nan 0.000 0.506 438 E N 1.259 121.406 120.200 -0.088 0.000 2.415 438 E HA 0.186 4.536 4.350 -0.000 0.000 0.262 438 E C -0.533 175.926 176.600 -0.235 0.000 1.038 438 E CA 0.245 56.514 56.400 -0.220 0.000 0.921 438 E CB 0.422 29.894 29.700 -0.380 0.000 0.950 438 E HN 0.554 nan 8.360 nan 0.000 0.438 439 T N 4.829 119.238 114.554 -0.243 0.000 2.770 439 T HA 0.293 4.643 4.350 -0.000 0.000 0.297 439 T C -0.906 173.706 174.700 -0.147 0.000 0.997 439 T CA -0.338 61.704 62.100 -0.097 0.000 0.949 439 T CB -0.026 68.883 68.868 0.067 0.000 0.941 439 T HN 0.262 nan 8.240 nan 0.000 0.457 440 F N 2.690 122.633 119.950 -0.011 0.000 2.411 440 F HA 0.320 4.847 4.527 -0.000 0.000 0.355 440 F C 0.158 175.953 175.800 -0.008 0.000 1.117 440 F CA -0.786 57.200 58.000 -0.023 0.000 1.139 440 F CB 0.644 39.587 39.000 -0.096 0.000 1.120 440 F HN 0.550 nan 8.300 nan 0.000 0.493 441 Y N 3.558 123.965 120.300 0.177 0.000 2.821 441 Y HA 0.317 4.867 4.550 -0.000 0.000 0.331 441 Y C 0.205 176.209 175.900 0.174 0.000 1.251 441 Y CA -0.539 57.639 58.100 0.130 0.000 1.494 441 Y CB -0.035 38.467 38.460 0.070 0.000 1.493 441 Y HN 0.226 nan 8.280 nan 0.000 0.496 442 V N 2.997 123.029 119.914 0.196 0.000 2.924 442 V HA 0.123 4.243 4.120 -0.000 0.000 0.305 442 V C 0.242 176.408 176.094 0.120 0.000 1.073 442 V CA 0.225 62.632 62.300 0.179 0.000 1.098 442 V CB 1.343 33.237 31.823 0.119 0.000 1.000 442 V HN 0.680 nan 8.190 nan 0.000 0.484 443 D N 0.923 121.388 120.400 0.108 0.000 2.755 443 D HA 0.480 5.119 4.640 -0.000 0.000 0.277 443 D C -0.915 175.424 176.300 0.065 0.000 1.261 443 D CA 0.212 54.259 54.000 0.079 0.000 0.759 443 D CB 2.176 43.025 40.800 0.082 0.000 1.279 443 D HN 0.931 nan 8.370 nan 0.000 0.420 444 G N 0.182 109.017 108.800 0.059 0.000 2.030 444 G HA2 0.619 4.579 3.960 -0.000 0.000 0.309 444 G HA3 0.619 4.579 3.960 -0.000 0.000 0.309 444 G C -1.268 173.663 174.900 0.052 0.000 1.668 444 G CA 0.226 45.356 45.100 0.049 0.000 0.926 444 G HN 0.536 nan 8.290 nan 0.000 0.652 445 A N 0.939 123.788 122.820 0.047 0.000 2.284 445 A HA 1.121 5.441 4.320 -0.000 0.000 0.317 445 A C 0.350 177.955 177.584 0.036 0.000 1.120 445 A CA -0.063 52.003 52.037 0.048 0.000 0.900 445 A CB 1.716 20.749 19.000 0.056 0.000 1.319 445 A HN 2.509 nan 8.150 nan 0.000 0.494 446 A N -0.030 122.809 122.820 0.031 0.000 2.587 446 A HA 0.633 4.953 4.320 -0.000 0.000 0.293 446 A C -1.140 176.455 177.584 0.018 0.000 1.087 446 A CA -0.677 51.373 52.037 0.022 0.000 0.692 446 A CB 1.058 20.069 19.000 0.018 0.000 1.291 446 A HN 0.685 nan 8.150 nan 0.000 0.407 447 N N 0.644 119.351 118.700 0.013 0.000 2.406 447 N HA 0.161 4.901 4.740 -0.000 0.000 0.251 447 N C 1.085 176.599 175.510 0.007 0.000 1.069 447 N CA -0.316 52.740 53.050 0.010 0.000 0.947 447 N CB 0.767 39.259 38.487 0.008 0.000 1.111 447 N HN 0.641 nan 8.380 nan 0.000 0.497 448 R N 2.114 122.617 120.500 0.006 0.000 2.159 448 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 448 R C 0.417 176.717 176.300 0.001 0.000 1.131 448 R CA 1.236 57.337 56.100 0.002 0.000 0.982 448 R CB 0.230 30.531 30.300 0.002 0.000 0.868 448 R HN 0.505 nan 8.270 nan 0.000 0.453 449 E N -0.130 120.071 120.200 0.002 0.000 2.045 449 E HA -0.072 4.277 4.350 -0.000 0.000 0.190 449 E C 2.079 178.680 176.600 0.001 0.000 0.968 449 E CA 1.732 58.133 56.400 0.001 0.000 0.813 449 E CB -0.535 29.165 29.700 0.001 0.000 0.780 449 E HN 0.323 nan 8.360 nan 0.000 0.455 450 T N -1.027 113.528 114.554 0.002 0.000 3.055 450 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 450 T C 0.608 175.309 174.700 0.002 0.000 1.111 450 T CA 0.752 62.854 62.100 0.002 0.000 1.118 450 T CB -0.256 68.614 68.868 0.003 0.000 0.909 450 T HN 0.166 nan 8.240 nan 0.000 0.501 451 K N 0.211 120.612 120.400 0.003 0.000 3.274 451 K HA -0.120 4.200 4.320 -0.000 0.000 0.300 451 K C -0.419 176.184 176.600 0.004 0.000 1.230 451 K CA 0.545 56.834 56.287 0.003 0.000 0.884 451 K CB -2.129 30.372 32.500 0.001 0.000 1.242 451 K HN 0.491 nan 8.250 nan 0.000 0.467 452 L N 0.113 121.339 121.223 0.005 0.000 2.325 452 L HA 0.681 5.021 4.340 -0.000 0.000 0.278 452 L C 0.896 177.771 176.870 0.009 0.000 1.023 452 L CA -0.331 54.513 54.840 0.006 0.000 0.811 452 L CB 1.840 43.902 42.059 0.005 0.000 1.249 452 L HN 0.242 nan 8.230 nan 0.000 0.431 453 G N 1.917 110.722 108.800 0.009 0.000 2.664 453 G HA2 0.613 4.573 3.960 -0.000 0.000 0.303 453 G HA3 0.613 4.573 3.960 -0.000 0.000 0.303 453 G C -1.982 172.924 174.900 0.010 0.000 1.243 453 G CA -0.546 44.562 45.100 0.013 0.000 0.826 453 G HN 0.568 nan 8.290 nan 0.000 0.498 454 K N -1.793 118.615 120.400 0.013 0.000 2.597 454 K HA 0.743 5.062 4.320 -0.000 0.000 0.282 454 K C -1.474 175.131 176.600 0.008 0.000 0.975 454 K CA -0.882 55.408 56.287 0.006 0.000 0.867 454 K CB 2.021 34.522 32.500 0.002 0.000 1.465 454 K HN 1.478 nan 8.250 nan 0.000 0.417 455 A N 0.816 123.632 122.820 -0.007 0.000 2.375 455 A HA 0.799 5.119 4.320 -0.000 0.000 0.295 455 A C -0.561 176.989 177.584 -0.057 0.000 1.066 455 A CA -0.105 51.927 52.037 -0.008 0.000 0.722 455 A CB 1.585 20.589 19.000 0.006 0.000 1.206 455 A HN 0.916 nan 8.150 nan 0.000 0.435 456 G N 0.358 109.132 108.800 -0.044 0.000 3.176 456 G HA2 0.836 4.796 3.960 -0.000 0.000 0.272 456 G HA3 0.836 4.796 3.960 -0.000 0.000 0.272 456 G C -0.941 173.959 174.900 -0.001 0.000 1.349 456 G CA -0.442 44.589 45.100 -0.115 0.000 0.953 456 G HN 1.570 nan 8.290 nan 0.000 0.559 457 Y N -3.089 117.274 120.300 0.105 0.000 2.604 457 Y HA 0.658 5.208 4.550 -0.000 0.000 0.331 457 Y C -1.617 174.399 175.900 0.193 0.000 1.158 457 Y CA -1.571 56.635 58.100 0.177 0.000 1.056 457 Y CB 1.753 40.352 38.460 0.231 0.000 1.330 457 Y HN 0.461 nan 8.280 nan 0.000 0.457 458 V N 2.012 122.226 119.914 0.501 0.000 2.567 458 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 458 V C -0.058 176.136 176.094 0.167 0.000 1.047 458 V CA -0.231 62.245 62.300 0.293 0.000 0.880 458 V CB 1.492 33.416 31.823 0.168 0.000 1.009 458 V HN 1.018 nan 8.190 nan 0.000 0.429 459 T N 0.561 115.107 114.554 -0.015 0.000 2.881 459 T HA 0.263 4.613 4.350 -0.000 0.000 0.278 459 T C 1.241 175.858 174.700 -0.138 0.000 0.982 459 T CA 0.118 62.106 62.100 -0.186 0.000 0.989 459 T CB 1.007 69.538 68.868 -0.561 0.000 1.058 459 T HN 0.776 nan 8.240 nan 0.000 0.529 460 N N 0.631 119.245 118.700 -0.143 0.000 2.120 460 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 460 N C 1.458 176.895 175.510 -0.122 0.000 1.024 460 N CA 0.342 53.321 53.050 -0.119 0.000 0.852 460 N CB -0.179 38.262 38.487 -0.077 0.000 1.003 460 N HN 0.474 nan 8.380 nan 0.000 0.424 461 K N 0.214 120.522 120.400 -0.153 0.000 2.574 461 K HA -0.017 4.303 4.320 -0.000 0.000 0.193 461 K C 0.863 177.409 176.600 -0.090 0.000 1.035 461 K CA 0.678 56.892 56.287 -0.121 0.000 0.982 461 K CB -0.045 32.369 32.500 -0.143 0.000 0.795 461 K HN 0.600 nan 8.250 nan 0.000 0.491 462 G N 1.638 110.387 108.800 -0.085 0.000 2.195 462 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.246 462 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.246 462 G C 0.135 175.027 174.900 -0.013 0.000 0.984 462 G CA -0.105 44.967 45.100 -0.046 0.000 0.633 462 G HN 0.341 nan 8.290 nan 0.000 0.525 463 R N 0.954 121.437 120.500 -0.028 0.000 2.442 463 R HA 0.486 4.826 4.340 -0.000 0.000 0.291 463 R C 0.417 176.815 176.300 0.164 0.000 1.069 463 R CA 0.468 56.593 56.100 0.042 0.000 1.022 463 R CB 0.246 30.539 30.300 -0.012 0.000 0.976 463 R HN 0.562 nan 8.270 nan 0.000 0.443 464 Q N 1.975 121.932 119.800 0.261 0.000 2.873 464 Q HA 0.555 4.895 4.340 -0.000 0.000 0.297 464 Q C -1.403 174.812 176.000 0.357 0.000 1.064 464 Q CA -1.035 54.990 55.803 0.369 0.000 0.816 464 Q CB 2.434 31.281 28.738 0.183 0.000 1.481 464 Q HN 0.460 nan 8.270 nan 0.000 0.488 465 K N -0.585 119.872 120.400 0.096 0.000 2.768 465 K HA 0.386 4.706 4.320 -0.000 0.000 0.283 465 K C -2.358 174.120 176.600 -0.204 0.000 1.078 465 K CA -0.290 55.904 56.287 -0.154 0.000 0.920 465 K CB 1.389 33.608 32.500 -0.467 0.000 1.390 465 K HN 0.334 nan 8.250 nan 0.000 0.389 466 V N 3.560 123.396 119.914 -0.130 0.000 2.567 466 V HA 0.433 4.553 4.120 -0.000 0.000 0.298 466 V C -0.989 175.060 176.094 -0.076 0.000 1.047 466 V CA -0.821 61.424 62.300 -0.093 0.000 0.880 466 V CB 1.810 33.611 31.823 -0.036 0.000 1.009 466 V HN 0.545 nan 8.190 nan 0.000 0.429 467 V N 7.363 127.230 119.914 -0.079 0.000 2.483 467 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 467 V C -2.155 173.923 176.094 -0.026 0.000 1.035 467 V CA -1.810 60.460 62.300 -0.050 0.000 0.896 467 V CB 2.401 34.194 31.823 -0.051 0.000 0.986 467 V HN 0.716 nan 8.190 nan 0.000 0.447 468 P HA 0.474 nan 4.420 nan 0.000 0.290 468 P C -1.391 175.908 177.300 -0.002 0.000 1.276 468 P CA -0.347 62.749 63.100 -0.006 0.000 0.808 468 P CB 1.497 33.195 31.700 -0.005 0.000 0.966 469 L N 2.846 124.070 121.223 0.001 0.000 2.385 469 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 469 L C 0.502 177.374 176.870 0.004 0.000 0.990 469 L CA -0.604 54.238 54.840 0.004 0.000 0.821 469 L CB 2.445 44.509 42.059 0.008 0.000 1.279 469 L HN 0.395 nan 8.230 nan 0.000 0.412 470 T N -0.768 113.788 114.554 0.003 0.000 2.807 470 T HA 0.438 4.788 4.350 -0.000 0.000 0.279 470 T C 0.054 174.755 174.700 0.002 0.000 0.993 470 T CA -0.656 61.446 62.100 0.002 0.000 0.970 470 T CB 1.396 70.265 68.868 0.001 0.000 0.950 470 T HN 0.666 nan 8.240 nan 0.000 0.441 471 N N 0.870 119.571 118.700 0.002 0.000 2.825 471 N HA -0.157 4.582 4.740 -0.000 0.000 0.253 471 N C -0.393 175.118 175.510 0.003 0.000 1.097 471 N CA 1.284 54.335 53.050 0.001 0.000 0.673 471 N CB -1.327 37.160 38.487 -0.001 0.000 0.923 471 N HN 1.353 nan 8.380 nan 0.000 0.561 472 T N -2.864 111.693 114.554 0.005 0.000 2.762 472 T HA 0.776 5.126 4.350 -0.000 0.000 0.301 472 T C -0.121 174.583 174.700 0.007 0.000 1.299 472 T CA -0.259 61.846 62.100 0.008 0.000 1.005 472 T CB 1.597 70.472 68.868 0.012 0.000 1.377 472 T HN 0.341 nan 8.240 nan 0.000 0.504 473 T N -0.398 114.161 114.554 0.008 0.000 2.950 473 T HA 0.471 4.820 4.350 -0.000 0.000 0.288 473 T C 1.128 175.834 174.700 0.008 0.000 1.035 473 T CA -1.083 61.017 62.100 0.000 0.000 1.028 473 T CB 1.278 70.136 68.868 -0.016 0.000 1.109 473 T HN 0.634 nan 8.240 nan 0.000 0.514 474 N N 0.357 119.057 118.700 0.001 0.000 2.104 474 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 474 N C 1.895 177.423 175.510 0.030 0.000 1.024 474 N CA 1.378 54.438 53.050 0.017 0.000 0.853 474 N CB -0.081 38.415 38.487 0.014 0.000 1.008 474 N HN 0.634 nan 8.380 nan 0.000 0.424 475 Q N 0.871 120.657 119.800 -0.022 0.000 2.135 475 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 475 Q C 1.989 178.084 176.000 0.158 0.000 0.981 475 Q CA 1.035 56.851 55.803 0.023 0.000 0.856 475 Q CB 0.052 28.607 28.738 -0.305 0.000 0.902 475 Q HN 0.194 nan 8.270 nan 0.000 0.425 476 K N 0.008 120.462 120.400 0.090 0.000 2.057 476 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 476 K C 2.324 178.971 176.600 0.078 0.000 1.049 476 K CA 1.877 58.218 56.287 0.090 0.000 0.931 476 K CB -0.356 32.173 32.500 0.050 0.000 0.714 476 K HN 0.435 nan 8.250 nan 0.000 0.440 477 T N -1.647 112.946 114.554 0.065 0.000 2.770 477 T HA -0.057 4.293 4.350 -0.000 0.000 0.263 477 T C 1.669 176.415 174.700 0.077 0.000 1.039 477 T CA 0.816 62.951 62.100 0.058 0.000 1.142 477 T CB -0.304 68.591 68.868 0.045 0.000 0.868 477 T HN 0.227 nan 8.240 nan 0.000 0.435 478 E N 0.642 120.901 120.200 0.098 0.000 2.448 478 E HA -0.014 4.336 4.350 -0.000 0.000 0.203 478 E C 1.713 178.384 176.600 0.118 0.000 1.046 478 E CA 0.583 57.053 56.400 0.118 0.000 0.871 478 E CB -0.199 29.599 29.700 0.164 0.000 0.790 478 E HN 0.522 nan 8.360 nan 0.000 0.545 479 L N -0.948 120.344 121.223 0.114 0.000 2.642 479 L HA 0.032 4.372 4.340 -0.000 0.000 0.233 479 L C 2.075 178.996 176.870 0.086 0.000 1.077 479 L CA 0.241 55.133 54.840 0.086 0.000 0.879 479 L CB 0.275 42.386 42.059 0.086 0.000 1.151 479 L HN 0.049 nan 8.230 nan 0.000 0.495 480 Q N 0.291 120.141 119.800 0.084 0.000 2.331 480 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 480 Q C 2.043 178.102 176.000 0.098 0.000 0.944 480 Q CA 1.165 57.028 55.803 0.100 0.000 0.892 480 Q CB 0.297 29.073 28.738 0.063 0.000 0.983 480 Q HN 0.398 nan 8.270 nan 0.000 0.482 481 A N 0.130 122.991 122.820 0.067 0.000 1.929 481 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 481 A C 1.916 179.526 177.584 0.043 0.000 1.176 481 A CA 0.999 53.063 52.037 0.045 0.000 0.628 481 A CB -0.439 18.594 19.000 0.056 0.000 0.816 481 A HN 0.448 nan 8.150 nan 0.000 0.444 482 I N -2.008 118.594 120.570 0.053 0.000 2.353 482 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 482 I C 2.385 178.509 176.117 0.011 0.000 1.119 482 I CA 1.312 62.625 61.300 0.022 0.000 1.417 482 I CB -0.281 37.733 38.000 0.023 0.000 1.078 482 I HN 0.524 nan 8.210 nan 0.000 0.421 483 Y N 1.031 121.299 120.300 -0.053 0.000 2.421 483 Y HA -0.178 4.372 4.550 -0.000 0.000 0.292 483 Y C 2.091 177.948 175.900 -0.071 0.000 1.136 483 Y CA 1.030 59.092 58.100 -0.064 0.000 1.255 483 Y CB 0.041 38.472 38.460 -0.049 0.000 0.991 483 Y HN 0.046 nan 8.280 nan 0.000 0.552 484 L N 0.123 121.285 121.223 -0.102 0.000 2.023 484 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 484 L C 2.624 179.383 176.870 -0.186 0.000 1.073 484 L CA 1.940 56.682 54.840 -0.164 0.000 0.745 484 L CB -1.330 40.659 42.059 -0.117 0.000 0.900 484 L HN 0.215 nan 8.230 nan 0.000 0.435 485 A N -0.457 122.264 122.820 -0.166 0.000 1.873 485 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 485 A C 2.274 179.470 177.584 -0.647 0.000 1.193 485 A CA 2.231 53.919 52.037 -0.582 0.000 0.629 485 A CB -1.096 17.564 19.000 -0.568 0.000 0.826 485 A HN 0.453 nan 8.150 nan 0.000 0.447 486 L N -0.837 120.136 121.223 -0.417 0.000 2.043 486 L HA -0.315 4.025 4.340 -0.000 0.000 0.212 486 L C 2.948 179.610 176.870 -0.347 0.000 1.075 486 L CA 1.939 56.572 54.840 -0.344 0.000 0.752 486 L CB -0.632 41.252 42.059 -0.293 0.000 0.891 486 L HN 0.524 nan 8.230 nan 0.000 0.432 487 Q N -0.558 118.971 119.800 -0.450 0.000 2.119 487 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 487 Q C 1.429 177.328 176.000 -0.167 0.000 0.972 487 Q CA 1.353 56.951 55.803 -0.342 0.000 0.847 487 Q CB -0.018 28.481 28.738 -0.399 0.000 0.903 487 Q HN 0.539 nan 8.270 nan 0.000 0.433 488 D N 0.183 120.500 120.400 -0.139 0.000 2.346 488 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 488 D C 1.001 177.321 176.300 0.034 0.000 1.001 488 D CA 0.368 54.369 54.000 0.001 0.000 0.871 488 D CB 0.126 41.045 40.800 0.199 0.000 0.943 488 D HN 0.133 nan 8.370 nan 0.000 0.518 489 S N -0.248 115.393 115.700 -0.098 0.000 2.626 489 S HA 0.478 4.948 4.470 -0.000 0.000 0.257 489 S C 0.896 175.554 174.600 0.096 0.000 1.288 489 S CA -0.283 58.009 58.200 0.153 0.000 0.980 489 S CB 1.466 64.738 63.200 0.121 0.000 0.975 489 S HN 0.085 nan 8.310 nan 0.000 0.577 490 G N -0.860 108.012 108.800 0.120 0.000 2.695 490 G HA2 0.462 4.422 3.960 -0.000 0.000 0.213 490 G HA3 0.462 4.422 3.960 -0.000 0.000 0.213 490 G C 0.520 175.447 174.900 0.045 0.000 1.406 490 G CA -0.820 44.318 45.100 0.062 0.000 1.049 490 G HN 0.665 nan 8.290 nan 0.000 0.573 491 L N -0.519 120.725 121.223 0.035 0.000 2.478 491 L HA 0.213 4.553 4.340 -0.000 0.000 0.223 491 L C 0.605 177.497 176.870 0.038 0.000 1.140 491 L CA 0.833 55.691 54.840 0.030 0.000 0.842 491 L CB -0.037 42.037 42.059 0.026 0.000 0.953 491 L HN 0.378 nan 8.230 nan 0.000 0.452 492 E N -0.293 119.935 120.200 0.046 0.000 2.244 492 E HA 0.436 4.786 4.350 -0.000 0.000 0.260 492 E C -1.393 175.252 176.600 0.075 0.000 0.884 492 E CA -0.186 56.245 56.400 0.052 0.000 0.777 492 E CB 3.145 32.867 29.700 0.036 0.000 1.197 492 E HN -0.203 nan 8.360 nan 0.000 0.416 493 V N 3.252 123.225 119.914 0.098 0.000 2.876 493 V HA 0.476 4.596 4.120 -0.000 0.000 0.312 493 V C -1.542 174.653 176.094 0.169 0.000 1.085 493 V CA -0.715 61.675 62.300 0.150 0.000 0.945 493 V CB 2.404 34.338 31.823 0.185 0.000 1.017 493 V HN 0.585 nan 8.190 nan 0.000 0.428 494 N N 4.591 123.403 118.700 0.187 0.000 2.446 494 N HA 0.636 5.376 4.740 -0.000 0.000 0.265 494 N C -1.101 174.521 175.510 0.186 0.000 0.975 494 N CA -0.137 53.033 53.050 0.200 0.000 0.928 494 N CB 1.408 39.975 38.487 0.133 0.000 1.160 494 N HN 0.577 nan 8.380 nan 0.000 0.495 495 I N 1.799 122.449 120.570 0.133 0.000 2.433 495 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 495 I C -0.625 175.463 176.117 -0.047 0.000 1.001 495 I CA -1.012 60.322 61.300 0.058 0.000 1.119 495 I CB 1.849 39.867 38.000 0.030 0.000 1.289 495 I HN 0.003 nan 8.210 nan 0.000 0.438 496 V N 5.149 124.987 119.914 -0.127 0.000 2.448 496 V HA 0.517 4.637 4.120 -0.000 0.000 0.295 496 V C -0.143 175.873 176.094 -0.130 0.000 1.025 496 V CA -0.233 61.939 62.300 -0.213 0.000 0.859 496 V CB 2.081 33.595 31.823 -0.516 0.000 0.988 496 V HN 0.785 nan 8.190 nan 0.000 0.431 497 T N 2.934 117.441 114.554 -0.078 0.000 2.907 497 T HA 0.390 4.740 4.350 -0.000 0.000 0.292 497 T C -0.326 174.325 174.700 -0.081 0.000 1.043 497 T CA -0.551 61.539 62.100 -0.017 0.000 1.003 497 T CB 1.624 70.538 68.868 0.076 0.000 1.084 497 T HN 0.817 nan 8.240 nan 0.000 0.483 498 D N 0.202 120.558 120.400 -0.072 0.000 2.895 498 D HA 0.176 4.816 4.640 -0.000 0.000 0.258 498 D C -0.184 176.179 176.300 0.106 0.000 1.311 498 D CA -0.506 53.379 54.000 -0.191 0.000 0.843 498 D CB 0.139 40.825 40.800 -0.189 0.000 1.055 498 D HN 0.353 nan 8.370 nan 0.000 0.486 499 S N 0.130 116.036 115.700 0.344 0.000 2.721 499 S HA 0.156 4.626 4.470 -0.000 0.000 0.264 499 S C 0.740 175.560 174.600 0.366 0.000 1.161 499 S CA -0.573 57.853 58.200 0.377 0.000 1.113 499 S CB 1.398 64.735 63.200 0.227 0.000 1.079 499 S HN 0.042 nan 8.310 nan 0.000 0.479 500 Q N 2.515 122.453 119.800 0.231 0.000 2.291 500 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 500 Q C 1.186 177.161 176.000 -0.041 0.000 0.976 500 Q CA 1.557 57.222 55.803 -0.230 0.000 0.875 500 Q CB -0.347 28.122 28.738 -0.449 0.000 0.927 500 Q HN 0.896 nan 8.270 nan 0.000 0.450 501 Y N 1.473 121.754 120.300 -0.031 0.000 2.070 501 Y HA -0.218 4.332 4.550 -0.000 0.000 0.279 501 Y C 2.396 178.286 175.900 -0.016 0.000 1.134 501 Y CA 1.534 59.622 58.100 -0.020 0.000 1.113 501 Y CB -0.779 37.689 38.460 0.013 0.000 0.981 501 Y HN 0.059 nan 8.280 nan 0.000 0.487 502 A N 0.337 123.115 122.820 -0.070 0.000 1.940 502 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 502 A C 2.206 179.701 177.584 -0.147 0.000 1.176 502 A CA 1.746 53.674 52.037 -0.181 0.000 0.631 502 A CB -1.319 17.689 19.000 0.014 0.000 0.814 502 A HN 0.576 nan 8.150 nan 0.000 0.446 503 L N -0.042 121.147 121.223 -0.057 0.000 1.921 503 L HA -0.076 4.264 4.340 -0.000 0.000 0.219 503 L C 2.580 179.389 176.870 -0.100 0.000 1.081 503 L CA 2.638 57.447 54.840 -0.052 0.000 0.771 503 L CB -1.375 40.658 42.059 -0.044 0.000 0.888 503 L HN 0.328 nan 8.230 nan 0.000 0.433 504 G N -0.356 108.365 108.800 -0.132 0.000 2.556 504 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.220 504 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.220 504 G C 1.661 176.500 174.900 -0.101 0.000 1.156 504 G CA 1.516 46.553 45.100 -0.105 0.000 0.766 504 G HN 0.518 nan 8.290 nan 0.000 0.583 505 I N -0.011 120.419 120.570 -0.233 0.000 2.069 505 I HA -0.213 3.957 4.170 -0.000 0.000 0.237 505 I C 2.653 178.667 176.117 -0.170 0.000 1.053 505 I CA 1.059 62.172 61.300 -0.311 0.000 1.311 505 I CB -0.304 37.344 38.000 -0.586 0.000 1.030 505 I HN 0.118 nan 8.210 nan 0.000 0.398 506 I N 0.550 121.037 120.570 -0.138 0.000 2.151 506 I HA -0.376 3.794 4.170 -0.000 0.000 0.243 506 I C 2.626 178.792 176.117 0.082 0.000 1.080 506 I CA 1.777 63.064 61.300 -0.022 0.000 1.339 506 I CB -0.406 37.577 38.000 -0.029 0.000 1.039 506 I HN 0.250 nan 8.210 nan 0.000 0.409 507 Q N -0.442 119.392 119.800 0.056 0.000 2.135 507 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 507 Q C 2.307 178.428 176.000 0.202 0.000 0.981 507 Q CA 1.700 57.574 55.803 0.119 0.000 0.856 507 Q CB -0.381 28.399 28.738 0.070 0.000 0.902 507 Q HN 0.655 nan 8.270 nan 0.000 0.425 508 A N 0.519 123.452 122.820 0.188 0.000 2.032 508 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 508 A C 0.615 178.350 177.584 0.251 0.000 1.165 508 A CA 1.394 53.605 52.037 0.289 0.000 0.645 508 A CB -0.250 18.877 19.000 0.211 0.000 0.807 508 A HN 0.543 nan 8.150 nan 0.000 0.453 509 Q N -2.732 117.151 119.800 0.139 0.000 2.451 509 Q HA -0.115 4.225 4.340 -0.000 0.000 0.292 509 Q C -2.370 173.578 176.000 -0.086 0.000 1.390 509 Q CA 0.258 56.038 55.803 -0.038 0.000 0.753 509 Q CB -2.070 26.499 28.738 -0.282 0.000 1.128 509 Q HN 0.488 nan 8.270 nan 0.000 0.402 510 P HA -0.084 nan 4.420 nan 0.000 0.262 510 P C 0.421 177.764 177.300 0.072 0.000 1.199 510 P CA 0.818 63.957 63.100 0.065 0.000 0.763 510 P CB 0.483 32.242 31.700 0.098 0.000 0.790 511 D N 3.468 123.886 120.400 0.029 0.000 2.117 511 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 511 D C 0.567 176.845 176.300 -0.036 0.000 0.987 511 D CA 1.731 55.741 54.000 0.018 0.000 0.829 511 D CB 0.123 40.978 40.800 0.091 0.000 0.961 511 D HN 0.098 nan 8.370 nan 0.000 0.460 512 K N -1.930 118.484 120.400 0.022 0.000 2.454 512 K HA 0.621 4.941 4.320 -0.000 0.000 0.279 512 K C -1.441 175.211 176.600 0.086 0.000 1.020 512 K CA -0.791 55.506 56.287 0.017 0.000 0.850 512 K CB 1.589 34.076 32.500 -0.022 0.000 1.529 512 K HN 0.043 nan 8.250 nan 0.000 0.390 513 S N -0.289 115.447 115.700 0.060 0.000 2.754 513 S HA 0.078 4.548 4.470 -0.000 0.000 0.302 513 S C -0.441 174.164 174.600 0.008 0.000 0.922 513 S CA -0.334 57.897 58.200 0.052 0.000 0.822 513 S CB 1.019 64.340 63.200 0.200 0.000 1.020 513 S HN 0.571 nan 8.310 nan 0.000 0.475 514 E N 2.056 122.240 120.200 -0.028 0.000 2.338 514 E HA 0.062 4.412 4.350 -0.000 0.000 0.197 514 E C 0.580 177.165 176.600 -0.025 0.000 1.007 514 E CA 0.625 57.007 56.400 -0.030 0.000 0.849 514 E CB 0.166 29.845 29.700 -0.036 0.000 0.774 514 E HN 0.509 nan 8.360 nan 0.000 0.506 515 S N 0.889 116.580 115.700 -0.015 0.000 2.870 515 S HA -0.126 4.344 4.470 -0.000 0.000 0.334 515 S C 1.029 175.627 174.600 -0.003 0.000 1.115 515 S CA 0.071 58.277 58.200 0.009 0.000 1.570 515 S CB -0.276 62.970 63.200 0.076 0.000 1.405 515 S HN 0.331 nan 8.310 nan 0.000 0.605 516 E N 3.176 123.356 120.200 -0.033 0.000 2.324 516 E HA -0.239 4.111 4.350 -0.000 0.000 0.205 516 E C 1.527 178.064 176.600 -0.106 0.000 1.031 516 E CA 1.451 57.812 56.400 -0.064 0.000 0.836 516 E CB -0.106 29.553 29.700 -0.067 0.000 0.742 516 E HN 0.732 nan 8.360 nan 0.000 0.491 517 L N -0.368 120.801 121.223 -0.090 0.000 1.973 517 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 517 L C 2.264 179.054 176.870 -0.134 0.000 1.073 517 L CA 1.528 56.282 54.840 -0.143 0.000 0.746 517 L CB -0.796 41.225 42.059 -0.064 0.000 0.891 517 L HN 0.081 nan 8.230 nan 0.000 0.433 518 V N 0.460 120.353 119.914 -0.034 0.000 2.546 518 V HA -0.322 3.798 4.120 -0.000 0.000 0.254 518 V C 2.192 178.265 176.094 -0.035 0.000 1.076 518 V CA 2.054 64.347 62.300 -0.013 0.000 1.087 518 V CB -1.207 30.669 31.823 0.089 0.000 0.674 518 V HN 0.549 nan 8.190 nan 0.000 0.470 519 N N -0.201 118.468 118.700 -0.052 0.000 2.109 519 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 519 N C 1.939 177.397 175.510 -0.087 0.000 1.034 519 N CA 1.211 54.222 53.050 -0.065 0.000 0.846 519 N CB -0.231 38.215 38.487 -0.068 0.000 1.010 519 N HN 0.519 nan 8.380 nan 0.000 0.425 520 Q N 0.367 120.074 119.800 -0.156 0.000 2.135 520 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 520 Q C 1.945 177.956 176.000 0.020 0.000 0.981 520 Q CA 1.044 56.746 55.803 -0.167 0.000 0.856 520 Q CB -0.118 28.275 28.738 -0.575 0.000 0.902 520 Q HN 0.468 nan 8.270 nan 0.000 0.425 521 I N 0.393 120.951 120.570 -0.020 0.000 2.133 521 I HA -0.295 3.875 4.170 -0.000 0.000 0.238 521 I C 2.229 178.337 176.117 -0.015 0.000 1.074 521 I CA 1.120 62.492 61.300 0.119 0.000 1.342 521 I CB -0.284 37.748 38.000 0.053 0.000 1.053 521 I HN 0.224 nan 8.210 nan 0.000 0.404 522 I N 0.708 121.242 120.570 -0.060 0.000 2.185 522 I HA -0.333 3.837 4.170 -0.000 0.000 0.246 522 I C 2.413 178.452 176.117 -0.130 0.000 1.088 522 I CA 1.599 62.834 61.300 -0.108 0.000 1.347 522 I CB -0.529 37.457 38.000 -0.024 0.000 1.041 522 I HN 0.340 nan 8.210 nan 0.000 0.415 523 E N 0.188 120.346 120.200 -0.070 0.000 2.204 523 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 523 E C 2.148 178.728 176.600 -0.034 0.000 0.989 523 E CA 0.746 57.114 56.400 -0.054 0.000 0.824 523 E CB -0.112 29.567 29.700 -0.035 0.000 0.756 523 E HN 0.570 nan 8.360 nan 0.000 0.477 524 Q N 0.584 120.374 119.800 -0.015 0.000 2.049 524 Q HA -0.049 4.290 4.340 -0.000 0.000 0.198 524 Q C 2.504 178.443 176.000 -0.101 0.000 0.971 524 Q CA 0.684 56.467 55.803 -0.034 0.000 0.833 524 Q CB -0.147 28.573 28.738 -0.029 0.000 0.896 524 Q HN 0.353 nan 8.270 nan 0.000 0.434 525 L N 0.306 121.410 121.223 -0.199 0.000 2.079 525 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 525 L C 2.387 179.114 176.870 -0.237 0.000 1.081 525 L CA 0.990 55.619 54.840 -0.351 0.000 0.752 525 L CB -0.429 41.132 42.059 -0.830 0.000 0.896 525 L HN 0.201 nan 8.230 nan 0.000 0.433 526 I N -0.335 120.153 120.570 -0.137 0.000 2.394 526 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 526 I C 2.530 178.681 176.117 0.057 0.000 1.136 526 I CA 1.154 62.486 61.300 0.053 0.000 1.425 526 I CB -0.135 37.923 38.000 0.097 0.000 1.079 526 I HN 0.208 nan 8.210 nan 0.000 0.425 527 K N 0.760 121.167 120.400 0.012 0.000 2.432 527 K HA -0.047 4.273 4.320 -0.000 0.000 0.196 527 K C 0.742 177.351 176.600 0.016 0.000 1.038 527 K CA 0.421 56.720 56.287 0.020 0.000 0.986 527 K CB 0.353 32.856 32.500 0.006 0.000 0.782 527 K HN -0.013 nan 8.250 nan 0.000 0.485 528 K N 0.494 120.895 120.400 0.003 0.000 2.117 528 K HA 0.036 4.356 4.320 -0.000 0.000 0.240 528 K C 0.597 177.220 176.600 0.037 0.000 1.031 528 K CA 0.200 56.493 56.287 0.010 0.000 0.909 528 K CB 1.026 33.521 32.500 -0.008 0.000 1.097 528 K HN 0.061 nan 8.250 nan 0.000 0.492 529 E N 0.379 120.604 120.200 0.041 0.000 2.279 529 E HA 0.063 4.413 4.350 -0.000 0.000 0.199 529 E C -0.552 176.084 176.600 0.060 0.000 0.893 529 E CA 0.469 56.899 56.400 0.050 0.000 0.978 529 E CB 0.619 30.343 29.700 0.040 0.000 0.964 529 E HN 0.278 nan 8.360 nan 0.000 0.486 530 K N 0.869 121.304 120.400 0.058 0.000 2.541 530 K HA 0.430 4.750 4.320 -0.000 0.000 0.250 530 K C -1.537 175.114 176.600 0.085 0.000 0.950 530 K CA -0.487 55.844 56.287 0.074 0.000 0.805 530 K CB 3.009 35.546 32.500 0.062 0.000 1.166 530 K HN -0.139 nan 8.250 nan 0.000 0.430 531 V N 2.638 122.616 119.914 0.107 0.000 2.680 531 V HA 0.452 4.571 4.120 -0.000 0.000 0.309 531 V C -1.308 174.901 176.094 0.192 0.000 1.052 531 V CA -0.990 61.378 62.300 0.113 0.000 0.908 531 V CB 1.609 33.466 31.823 0.056 0.000 1.001 531 V HN 0.760 nan 8.190 nan 0.000 0.431 532 Y N 4.014 124.338 120.300 0.041 0.000 2.354 532 Y HA 0.683 5.233 4.550 -0.000 0.000 0.330 532 Y C -1.175 174.747 175.900 0.037 0.000 1.011 532 Y CA -0.648 57.477 58.100 0.043 0.000 1.099 532 Y CB 1.455 39.935 38.460 0.034 0.000 1.179 532 Y HN 0.556 nan 8.280 nan 0.000 0.442 533 L N 5.549 126.519 121.223 -0.422 0.000 2.334 533 L HA 0.919 5.259 4.340 -0.000 0.000 0.275 533 L C -0.643 175.899 176.870 -0.547 0.000 1.036 533 L CA -1.043 53.598 54.840 -0.332 0.000 0.807 533 L CB 1.755 43.715 42.059 -0.164 0.000 1.231 533 L HN 0.836 nan 8.230 nan 0.000 0.438 534 A N 2.228 124.887 122.820 -0.268 0.000 2.427 534 A HA 0.454 4.774 4.320 -0.000 0.000 0.298 534 A C -1.760 175.821 177.584 -0.005 0.000 1.036 534 A CA -0.443 51.484 52.037 -0.184 0.000 0.701 534 A CB 1.139 20.067 19.000 -0.121 0.000 1.250 534 A HN 0.704 nan 8.150 nan 0.000 0.412 535 W N 2.423 123.653 121.300 -0.117 0.000 2.332 535 W HA 0.677 5.337 4.660 -0.000 0.000 0.351 535 W C -0.922 175.567 176.519 -0.051 0.000 1.195 535 W CA -0.069 57.230 57.345 -0.076 0.000 1.334 535 W CB 1.450 30.871 29.460 -0.064 0.000 1.206 535 W HN 0.613 nan 8.180 nan 0.000 0.637 536 V N 4.093 123.248 119.914 -1.266 0.000 2.950 536 V HA 0.176 4.296 4.120 -0.000 0.000 0.295 536 V C -2.409 172.807 176.094 -1.463 0.000 1.297 536 V CA -1.835 59.826 62.300 -1.065 0.000 0.962 536 V CB 1.984 33.514 31.823 -0.489 0.000 1.081 536 V HN 0.399 nan 8.190 nan 0.000 0.432 537 P HA 0.146 nan 4.420 nan 0.000 0.260 537 P C 0.755 177.816 177.300 -0.398 0.000 1.207 537 P CA 0.785 63.506 63.100 -0.631 0.000 0.780 537 P CB 0.866 32.386 31.700 -0.299 0.000 0.789 538 A N 5.178 127.780 122.820 -0.362 0.000 1.891 538 A HA -0.299 4.021 4.320 -0.000 0.000 0.221 538 A C 1.845 179.238 177.584 -0.318 0.000 1.394 538 A CA 1.919 53.724 52.037 -0.386 0.000 0.730 538 A CB -1.567 17.087 19.000 -0.577 0.000 0.845 538 A HN 0.587 nan 8.150 nan 0.000 0.471 539 H N 0.510 119.566 119.070 -0.023 0.000 2.281 539 H HA 0.032 4.588 4.556 -0.000 0.000 0.310 539 H C 0.810 176.127 175.328 -0.019 0.000 1.052 539 H CA 1.199 57.240 56.048 -0.012 0.000 1.331 539 H CB -0.952 28.811 29.762 0.003 0.000 1.419 539 H HN 0.662 nan 8.280 nan 0.000 0.518 540 K N 1.697 122.171 120.400 0.124 0.000 2.319 540 K HA 0.298 4.618 4.320 -0.000 0.000 0.277 540 K C 0.339 176.942 176.600 0.004 0.000 1.111 540 K CA 0.545 56.864 56.287 0.053 0.000 1.093 540 K CB 0.288 32.814 32.500 0.044 0.000 0.910 540 K HN 0.515 nan 8.250 nan 0.000 0.452 541 G N 3.183 111.984 108.800 0.002 0.000 2.591 541 G HA2 0.045 4.005 3.960 -0.000 0.000 0.104 541 G HA3 0.045 4.005 3.960 -0.000 0.000 0.104 541 G C -0.567 174.328 174.900 -0.009 0.000 1.097 541 G CA -0.926 44.159 45.100 -0.025 0.000 1.076 541 G HN 0.464 nan 8.290 nan 0.000 0.485 542 I N 1.679 122.241 120.570 -0.013 0.000 3.292 542 I HA 0.269 4.439 4.170 -0.000 0.000 0.279 542 I C 1.880 178.011 176.117 0.024 0.000 1.268 542 I CA 1.114 62.428 61.300 0.024 0.000 1.342 542 I CB 0.555 38.602 38.000 0.077 0.000 1.366 542 I HN 0.680 nan 8.210 nan 0.000 0.615 543 G N 1.409 110.219 108.800 0.017 0.000 2.939 543 G HA2 0.099 4.059 3.960 -0.000 0.000 0.216 543 G HA3 0.099 4.059 3.960 -0.000 0.000 0.216 543 G C 1.282 176.189 174.900 0.011 0.000 1.125 543 G CA 0.489 45.593 45.100 0.006 0.000 0.766 543 G HN 0.844 nan 8.290 nan 0.000 0.541 544 G N 1.627 110.443 108.800 0.027 0.000 2.404 544 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 544 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 544 G C 1.639 176.615 174.900 0.127 0.000 1.174 544 G CA 0.968 46.102 45.100 0.057 0.000 0.780 544 G HN 0.348 nan 8.290 nan 0.000 0.537 545 N N 0.915 119.698 118.700 0.138 0.000 2.058 545 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 545 N C 2.031 177.587 175.510 0.076 0.000 1.037 545 N CA 1.177 54.286 53.050 0.098 0.000 0.848 545 N CB -0.547 37.968 38.487 0.046 0.000 1.021 545 N HN 0.362 nan 8.380 nan 0.000 0.422 546 E N 1.785 122.025 120.200 0.067 0.000 2.049 546 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 546 E C 1.590 178.222 176.600 0.054 0.000 1.007 546 E CA 1.343 57.783 56.400 0.066 0.000 0.809 546 E CB -0.179 29.555 29.700 0.057 0.000 0.749 546 E HN 0.413 nan 8.360 nan 0.000 0.450 547 Q N -0.384 119.444 119.800 0.046 0.000 2.308 547 Q HA -0.140 4.200 4.340 -0.000 0.000 0.209 547 Q C 2.071 178.100 176.000 0.048 0.000 0.985 547 Q CA 1.453 57.278 55.803 0.037 0.000 0.881 547 Q CB 0.139 28.892 28.738 0.025 0.000 0.917 547 Q HN 0.224 nan 8.270 nan 0.000 0.443 548 V N -0.730 119.221 119.914 0.062 0.000 3.431 548 V HA -0.051 4.069 4.120 -0.000 0.000 0.253 548 V C 1.254 177.379 176.094 0.052 0.000 1.184 548 V CA 0.808 63.145 62.300 0.063 0.000 1.104 548 V CB 0.168 32.042 31.823 0.085 0.000 0.799 548 V HN 0.198 nan 8.190 nan 0.000 0.462 549 D N 0.429 120.862 120.400 0.056 0.000 2.305 549 D HA -0.054 4.586 4.640 -0.000 0.000 0.206 549 D C 2.061 178.387 176.300 0.043 0.000 0.974 549 D CA 0.585 54.619 54.000 0.056 0.000 0.871 549 D CB 0.408 41.255 40.800 0.078 0.000 0.947 549 D HN 0.384 nan 8.370 nan 0.000 0.516 550 K N 0.798 121.221 120.400 0.037 0.000 2.062 550 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 550 K C 2.252 178.866 176.600 0.023 0.000 1.051 550 K CA 0.476 56.779 56.287 0.026 0.000 0.941 550 K CB 0.053 32.566 32.500 0.022 0.000 0.719 550 K HN 0.038 nan 8.250 nan 0.000 0.440 551 L N 1.109 122.348 121.223 0.026 0.000 1.955 551 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 551 L C 1.524 178.406 176.870 0.020 0.000 1.072 551 L CA 0.765 55.618 54.840 0.022 0.000 0.755 551 L CB -0.670 41.404 42.059 0.025 0.000 0.888 551 L HN -0.027 nan 8.230 nan 0.000 0.432 552 V N 0.000 119.929 119.914 0.025 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 552 V CA 0.000 62.314 62.300 0.023 0.000 1.235 552 V CB 0.000 31.843 31.823 0.033 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556