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 1ikw_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 YPGIKVRQLC 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 NTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR 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 0.000 177.363 177.300 0.106 0.000 1.155 1 P CA 0.000 63.150 63.100 0.083 0.000 0.800 1 P CB 0.000 31.745 31.700 0.075 0.000 0.726 2 I N -0.008 120.623 120.570 0.102 0.000 2.605 2 I HA 0.208 4.378 4.170 -0.000 0.000 0.276 2 I C -0.190 176.001 176.117 0.124 0.000 1.161 2 I CA -0.443 60.930 61.300 0.122 0.000 1.064 2 I CB 1.655 39.717 38.000 0.103 0.000 1.238 2 I HN 0.362 nan 8.210 nan 0.000 0.487 3 S N 7.075 122.869 115.700 0.158 0.000 2.953 3 S HA -0.002 4.468 4.470 -0.000 0.000 0.348 3 S C -0.690 174.024 174.600 0.190 0.000 1.215 3 S CA -0.404 57.914 58.200 0.198 0.000 1.019 3 S CB 0.656 63.999 63.200 0.237 0.000 0.726 3 S HN 0.497 nan 8.310 nan 0.000 0.503 4 P HA -0.105 nan 4.420 nan 0.000 0.217 4 P C 1.103 178.543 177.300 0.234 0.000 1.150 4 P CA 0.400 63.586 63.100 0.144 0.000 0.832 4 P CB -0.271 31.438 31.700 0.015 0.000 0.787 5 I N 0.719 121.531 120.570 0.404 0.000 3.299 5 I HA -0.232 3.938 4.170 -0.000 0.000 0.351 5 I C 0.968 177.188 176.117 0.171 0.000 1.161 5 I CA 0.203 61.692 61.300 0.315 0.000 1.513 5 I CB 0.307 38.406 38.000 0.165 0.000 1.264 5 I HN -0.013 nan 8.210 nan 0.000 0.505 6 E N 4.935 125.214 120.200 0.132 0.000 2.461 6 E HA 0.001 4.351 4.350 -0.000 0.000 0.263 6 E C -0.283 176.365 176.600 0.080 0.000 1.143 6 E CA 0.564 57.021 56.400 0.094 0.000 0.994 6 E CB 0.512 30.255 29.700 0.071 0.000 0.973 6 E HN 0.588 nan 8.360 nan 0.000 0.457 7 T N -0.797 113.803 114.554 0.078 0.000 2.855 7 T HA 0.478 4.828 4.350 -0.000 0.000 0.281 7 T C -0.558 174.186 174.700 0.073 0.000 1.007 7 T CA -1.052 61.096 62.100 0.080 0.000 1.009 7 T CB 1.172 70.097 68.868 0.094 0.000 0.983 7 T HN 0.188 nan 8.240 nan 0.000 0.455 8 V N 5.728 125.688 119.914 0.076 0.000 2.439 8 V HA 0.292 4.412 4.120 -0.000 0.000 0.271 8 V C -1.676 174.474 176.094 0.092 0.000 1.040 8 V CA -1.484 60.863 62.300 0.079 0.000 1.002 8 V CB 0.155 32.033 31.823 0.092 0.000 1.000 8 V HN 0.820 nan 8.190 nan 0.000 0.477 9 P HA 0.178 nan 4.420 nan 0.000 0.275 9 P C -0.454 176.874 177.300 0.047 0.000 1.276 9 P CA 0.335 63.476 63.100 0.069 0.000 0.782 9 P CB 1.454 33.186 31.700 0.053 0.000 0.851 10 V N 3.680 123.615 119.914 0.035 0.000 2.881 10 V HA 0.775 4.895 4.120 -0.000 0.000 0.316 10 V C -0.398 175.667 176.094 -0.047 0.000 1.070 10 V CA -0.717 61.551 62.300 -0.054 0.000 0.976 10 V CB 2.052 33.850 31.823 -0.043 0.000 1.038 10 V HN 0.708 nan 8.190 nan 0.000 0.446 11 K N 3.911 124.271 120.400 -0.066 0.000 2.495 11 K HA 0.651 4.971 4.320 -0.000 0.000 0.268 11 K C -1.553 175.074 176.600 0.045 0.000 1.008 11 K CA -1.070 55.250 56.287 0.054 0.000 0.882 11 K CB 2.058 34.568 32.500 0.016 0.000 1.443 11 K HN 0.711 nan 8.250 nan 0.000 0.447 12 L N 1.471 122.712 121.223 0.030 0.000 2.439 12 L HA 0.370 4.710 4.340 -0.000 0.000 0.259 12 L C 0.310 177.168 176.870 -0.020 0.000 1.129 12 L CA -1.040 53.798 54.840 -0.003 0.000 0.803 12 L CB 0.945 42.910 42.059 -0.157 0.000 1.161 12 L HN 0.640 nan 8.230 nan 0.000 0.462 13 K N 1.507 121.902 120.400 -0.008 0.000 2.440 13 K HA 0.003 4.323 4.320 -0.000 0.000 0.270 13 K C -1.629 174.966 176.600 -0.008 0.000 0.980 13 K CA -1.029 55.250 56.287 -0.013 0.000 0.953 13 K CB 0.131 32.632 32.500 0.002 0.000 0.925 13 K HN 0.300 nan 8.250 nan 0.000 0.497 14 P HA -0.245 nan 4.420 nan 0.000 0.208 14 P C 0.625 177.933 177.300 0.013 0.000 0.999 14 P CA 1.481 64.582 63.100 0.002 0.000 0.988 14 P CB -0.047 31.653 31.700 -0.000 0.000 0.745 15 G N -1.046 107.765 108.800 0.017 0.000 3.455 15 G HA2 0.382 4.342 3.960 -0.000 0.000 0.250 15 G HA3 0.382 4.342 3.960 -0.000 0.000 0.250 15 G C -0.096 174.824 174.900 0.033 0.000 1.071 15 G CA 0.060 45.175 45.100 0.026 0.000 1.812 15 G HN 0.131 nan 8.290 nan 0.000 0.643 16 M N -0.241 119.378 119.600 0.032 0.000 2.569 16 M HA 0.361 4.841 4.480 -0.000 0.000 0.279 16 M C -1.634 174.691 176.300 0.042 0.000 1.253 16 M CA -0.881 54.443 55.300 0.040 0.000 0.867 16 M CB 2.758 35.378 32.600 0.033 0.000 1.727 16 M HN 0.138 nan 8.290 nan 0.000 0.467 17 D N 0.049 120.495 120.400 0.076 0.000 2.450 17 D HA 0.667 5.307 4.640 -0.000 0.000 0.238 17 D C 0.143 176.510 176.300 0.111 0.000 1.020 17 D CA -0.003 54.074 54.000 0.128 0.000 1.010 17 D CB 1.733 42.670 40.800 0.229 0.000 1.342 17 D HN 0.700 nan 8.370 nan 0.000 0.530 18 G N 0.234 109.106 108.800 0.120 0.000 2.855 18 G HA2 0.230 4.190 3.960 -0.000 0.000 0.248 18 G HA3 0.230 4.190 3.960 -0.000 0.000 0.248 18 G C -2.159 172.905 174.900 0.274 0.000 1.243 18 G CA -0.645 44.466 45.100 0.017 0.000 0.881 18 G HN 0.516 nan 8.290 nan 0.000 0.598 19 P HA 0.351 nan 4.420 nan 0.000 0.286 19 P C -1.085 176.381 177.300 0.277 0.000 1.261 19 P CA -0.465 62.781 63.100 0.244 0.000 0.821 19 P CB 1.515 33.339 31.700 0.207 0.000 1.013 20 K N 1.425 121.939 120.400 0.190 0.000 3.098 20 K HA 0.334 4.654 4.320 -0.000 0.000 0.170 20 K C -0.969 175.691 176.600 0.100 0.000 1.106 20 K CA -0.419 55.950 56.287 0.136 0.000 0.864 20 K CB 1.131 33.694 32.500 0.105 0.000 1.047 20 K HN 0.175 nan 8.250 nan 0.000 0.609 21 V N 1.907 121.880 119.914 0.099 0.000 2.394 21 V HA 0.204 4.324 4.120 -0.000 0.000 0.282 21 V C 0.249 176.386 176.094 0.072 0.000 1.031 21 V CA -0.846 61.505 62.300 0.085 0.000 0.881 21 V CB 1.276 33.151 31.823 0.086 0.000 0.982 21 V HN 0.354 nan 8.190 nan 0.000 0.451 22 K N 3.746 124.190 120.400 0.074 0.000 2.469 22 K HA 0.030 4.350 4.320 -0.000 0.000 0.274 22 K C 0.025 176.674 176.600 0.081 0.000 0.983 22 K CA 0.263 56.589 56.287 0.065 0.000 0.974 22 K CB 0.387 32.928 32.500 0.069 0.000 0.913 22 K HN 0.714 nan 8.250 nan 0.000 0.493 23 Q N 4.829 124.661 119.800 0.054 0.000 2.361 23 Q HA 0.096 4.436 4.340 -0.000 0.000 0.250 23 Q C -1.243 174.825 176.000 0.113 0.000 1.023 23 Q CA -0.265 55.572 55.803 0.056 0.000 0.915 23 Q CB 0.287 29.034 28.738 0.015 0.000 1.238 23 Q HN 0.608 nan 8.270 nan 0.000 0.451 24 W N 7.189 128.495 121.300 0.010 0.000 2.223 24 W HA 0.216 4.876 4.660 -0.000 0.000 0.334 24 W C -2.419 174.138 176.519 0.063 0.000 1.334 24 W CA -2.022 55.360 57.345 0.062 0.000 1.246 24 W CB 0.535 30.076 29.460 0.136 0.000 1.184 24 W HN 0.562 nan 8.180 nan 0.000 0.563 25 P HA -0.082 nan 4.420 nan 0.000 0.261 25 P C -0.339 177.001 177.300 0.067 0.000 1.183 25 P CA 0.387 63.362 63.100 -0.207 0.000 0.761 25 P CB 0.273 31.728 31.700 -0.408 0.000 0.785 26 L N 2.609 123.896 121.223 0.106 0.000 2.358 26 L HA 0.455 4.795 4.340 -0.000 0.000 0.268 26 L C 1.200 178.122 176.870 0.086 0.000 1.032 26 L CA -0.419 54.520 54.840 0.166 0.000 0.805 26 L CB 0.673 42.819 42.059 0.146 0.000 1.253 26 L HN 0.322 nan 8.230 nan 0.000 0.452 27 T N -2.848 111.762 114.554 0.093 0.000 2.868 27 T HA 0.191 4.541 4.350 -0.000 0.000 0.292 27 T C 1.079 175.779 174.700 0.001 0.000 1.028 27 T CA -0.551 61.581 62.100 0.053 0.000 1.059 27 T CB 1.140 70.056 68.868 0.080 0.000 0.991 27 T HN 0.548 nan 8.240 nan 0.000 0.531 28 E N 1.151 121.348 120.200 -0.004 0.000 2.065 28 E HA -0.274 4.076 4.350 -0.000 0.000 0.201 28 E C 2.169 178.726 176.600 -0.072 0.000 1.016 28 E CA 2.075 58.458 56.400 -0.029 0.000 0.818 28 E CB -0.158 29.535 29.700 -0.011 0.000 0.749 28 E HN 0.968 nan 8.360 nan 0.000 0.453 29 E N 1.368 121.529 120.200 -0.064 0.000 2.160 29 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 29 E C 1.876 178.224 176.600 -0.420 0.000 0.991 29 E CA 1.099 57.419 56.400 -0.134 0.000 0.810 29 E CB -0.195 29.520 29.700 0.025 0.000 0.742 29 E HN 0.161 nan 8.360 nan 0.000 0.466 30 K N 0.815 120.984 120.400 -0.385 0.000 2.007 30 K HA -0.028 4.292 4.320 -0.000 0.000 0.206 30 K C 2.293 178.697 176.600 -0.328 0.000 1.047 30 K CA 1.464 57.441 56.287 -0.518 0.000 0.937 30 K CB -0.215 32.178 32.500 -0.178 0.000 0.718 30 K HN 0.140 nan 8.250 nan 0.000 0.438 31 I N 1.668 122.138 120.570 -0.168 0.000 2.315 31 I HA -0.331 3.839 4.170 -0.000 0.000 0.251 31 I C 2.555 178.596 176.117 -0.126 0.000 1.125 31 I CA 1.291 62.529 61.300 -0.103 0.000 1.392 31 I CB -0.280 37.684 38.000 -0.061 0.000 1.065 31 I HN 0.196 nan 8.210 nan 0.000 0.424 32 K N 1.439 121.736 120.400 -0.173 0.000 2.031 32 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 32 K C 2.294 178.778 176.600 -0.193 0.000 1.049 32 K CA 1.272 57.469 56.287 -0.150 0.000 0.939 32 K CB -0.134 32.285 32.500 -0.136 0.000 0.717 32 K HN 0.241 nan 8.250 nan 0.000 0.438 33 A N 1.897 124.492 122.820 -0.374 0.000 1.859 33 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 33 A C 2.172 179.653 177.584 -0.172 0.000 1.209 33 A CA 2.101 53.882 52.037 -0.426 0.000 0.639 33 A CB -1.123 17.319 19.000 -0.931 0.000 0.835 33 A HN 0.365 nan 8.150 nan 0.000 0.450 34 L N -0.568 120.576 121.223 -0.132 0.000 2.043 34 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 34 L C 2.529 179.393 176.870 -0.010 0.000 1.075 34 L CA 1.355 56.181 54.840 -0.023 0.000 0.752 34 L CB -0.856 41.215 42.059 0.019 0.000 0.891 34 L HN 0.279 nan 8.230 nan 0.000 0.432 35 V N 0.179 120.079 119.914 -0.023 0.000 2.287 35 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 35 V C 2.413 178.504 176.094 -0.005 0.000 1.053 35 V CA 2.105 64.406 62.300 0.002 0.000 1.027 35 V CB -0.579 31.236 31.823 -0.013 0.000 0.646 35 V HN 0.516 nan 8.190 nan 0.000 0.447 36 E N -0.120 120.068 120.200 -0.020 0.000 2.150 36 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 36 E C 2.112 178.712 176.600 0.000 0.000 0.985 36 E CA 1.361 57.757 56.400 -0.006 0.000 0.814 36 E CB -0.172 29.526 29.700 -0.003 0.000 0.752 36 E HN 0.589 nan 8.360 nan 0.000 0.466 37 I N 0.737 121.305 120.570 -0.002 0.000 2.206 37 I HA -0.237 3.933 4.170 -0.000 0.000 0.239 37 I C 2.476 178.563 176.117 -0.049 0.000 1.078 37 I CA 0.499 61.802 61.300 0.005 0.000 1.367 37 I CB -0.430 37.592 38.000 0.036 0.000 1.078 37 I HN 0.202 nan 8.210 nan 0.000 0.413 38 C N 0.751 119.988 119.300 -0.105 0.000 2.388 38 C HA -0.200 4.260 4.460 -0.000 0.000 0.277 38 C C 3.027 177.867 174.990 -0.251 0.000 1.210 38 C CA 1.719 60.556 59.018 -0.302 0.000 1.743 38 C CB -1.319 26.096 27.740 -0.542 0.000 2.047 38 C HN 0.521 nan 8.230 nan 0.000 0.458 39 T N 0.549 115.041 114.554 -0.103 0.000 2.649 39 T HA -0.288 4.062 4.350 -0.000 0.000 0.268 39 T C 1.636 176.313 174.700 -0.038 0.000 1.036 39 T CA 2.279 64.368 62.100 -0.018 0.000 1.157 39 T CB -0.435 68.442 68.868 0.015 0.000 0.861 39 T HN 0.618 nan 8.240 nan 0.000 0.445 40 E N 0.995 121.172 120.200 -0.039 0.000 2.023 40 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 40 E C 2.199 178.773 176.600 -0.044 0.000 1.003 40 E CA 1.534 57.920 56.400 -0.022 0.000 0.809 40 E CB -0.497 29.203 29.700 0.001 0.000 0.755 40 E HN 0.528 nan 8.360 nan 0.000 0.449 41 M N 0.203 119.749 119.600 -0.089 0.000 2.073 41 M HA -0.214 4.266 4.480 -0.000 0.000 0.258 41 M C 2.436 178.660 176.300 -0.126 0.000 1.070 41 M CA 2.236 57.456 55.300 -0.132 0.000 1.103 41 M CB -0.570 31.894 32.600 -0.227 0.000 1.321 41 M HN 0.242 nan 8.290 nan 0.000 0.405 42 E N 0.969 121.080 120.200 -0.147 0.000 2.108 42 E HA -0.306 4.044 4.350 -0.000 0.000 0.203 42 E C 1.896 178.482 176.600 -0.023 0.000 1.022 42 E CA 1.787 58.146 56.400 -0.068 0.000 0.823 42 E CB -0.184 29.523 29.700 0.012 0.000 0.744 42 E HN 0.370 nan 8.360 nan 0.000 0.456 43 K N -0.011 120.379 120.400 -0.017 0.000 2.442 43 K HA -0.144 4.176 4.320 -0.000 0.000 0.198 43 K C 0.919 177.518 176.600 -0.002 0.000 1.044 43 K CA 1.325 57.611 56.287 -0.002 0.000 0.948 43 K CB 0.120 32.621 32.500 0.002 0.000 0.762 43 K HN 0.276 nan 8.250 nan 0.000 0.472 44 E N -1.700 118.492 120.200 -0.013 0.000 2.526 44 E HA 0.099 4.449 4.350 -0.000 0.000 0.208 44 E C 0.734 177.332 176.600 -0.004 0.000 0.997 44 E CA 0.358 56.757 56.400 -0.003 0.000 0.961 44 E CB 1.105 30.807 29.700 0.004 0.000 1.030 44 E HN 0.465 nan 8.360 nan 0.000 0.483 45 G N 2.204 110.994 108.800 -0.017 0.000 2.284 45 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.230 45 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.230 45 G C 1.220 176.102 174.900 -0.031 0.000 1.021 45 G CA 0.417 45.513 45.100 -0.008 0.000 0.619 45 G HN 0.056 nan 8.290 nan 0.000 0.510 46 K N 0.705 121.055 120.400 -0.083 0.000 2.173 46 K HA -0.024 4.296 4.320 -0.000 0.000 0.207 46 K C 1.602 178.099 176.600 -0.173 0.000 1.046 46 K CA 1.952 58.139 56.287 -0.167 0.000 0.929 46 K CB -0.505 31.759 32.500 -0.392 0.000 0.720 46 K HN 1.069 nan 8.250 nan 0.000 0.453 47 I N -4.963 115.497 120.570 -0.184 0.000 3.195 47 I HA 0.457 4.627 4.170 -0.000 0.000 0.313 47 I C -0.976 175.121 176.117 -0.035 0.000 1.237 47 I CA -0.983 60.204 61.300 -0.188 0.000 0.963 47 I CB 2.590 40.361 38.000 -0.382 0.000 1.278 47 I HN -0.313 nan 8.210 nan 0.000 0.460 48 S N 0.809 116.543 115.700 0.057 0.000 2.556 48 S HA 0.452 4.922 4.470 -0.000 0.000 0.271 48 S C -1.072 173.584 174.600 0.093 0.000 1.135 48 S CA -0.951 57.303 58.200 0.091 0.000 0.858 48 S CB 2.179 65.395 63.200 0.027 0.000 1.114 48 S HN 0.524 nan 8.310 nan 0.000 0.468 49 K N 1.793 122.175 120.400 -0.030 0.000 2.295 49 K HA 0.544 4.864 4.320 -0.000 0.000 0.270 49 K C -0.274 176.215 176.600 -0.186 0.000 1.011 49 K CA -0.091 56.045 56.287 -0.252 0.000 0.953 49 K CB 0.372 32.706 32.500 -0.277 0.000 0.956 49 K HN 0.625 nan 8.250 nan 0.000 0.477 50 I N -2.221 118.205 120.570 -0.239 0.000 2.827 50 I HA 0.493 4.663 4.170 -0.000 0.000 0.298 50 I C -0.019 175.990 176.117 -0.181 0.000 1.235 50 I CA -1.047 60.154 61.300 -0.165 0.000 1.021 50 I CB 2.023 39.948 38.000 -0.124 0.000 1.259 50 I HN 0.585 nan 8.210 nan 0.000 0.427 51 G N 2.888 111.606 108.800 -0.137 0.000 2.535 51 G HA2 0.510 4.470 3.960 -0.000 0.000 0.282 51 G HA3 0.510 4.470 3.960 -0.000 0.000 0.282 51 G C -2.345 172.481 174.900 -0.122 0.000 1.350 51 G CA -1.385 43.637 45.100 -0.130 0.000 1.039 51 G HN 0.567 nan 8.290 nan 0.000 0.509 52 P HA 0.160 nan 4.420 nan 0.000 0.258 52 P C 0.350 177.589 177.300 -0.101 0.000 1.403 52 P CA 0.399 63.437 63.100 -0.104 0.000 0.826 52 P CB 0.334 31.978 31.700 -0.093 0.000 1.414 53 E N -1.334 118.806 120.200 -0.101 0.000 2.318 53 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 53 E C 0.901 177.423 176.600 -0.129 0.000 0.998 53 E CA 0.267 56.607 56.400 -0.101 0.000 0.859 53 E CB -0.495 29.156 29.700 -0.081 0.000 0.812 53 E HN 0.103 nan 8.360 nan 0.000 0.492 54 N N 1.961 120.585 118.700 -0.128 0.000 2.415 54 N HA 0.047 4.787 4.740 -0.000 0.000 0.250 54 N C -2.040 173.334 175.510 -0.226 0.000 1.127 54 N CA -1.556 51.405 53.050 -0.147 0.000 0.945 54 N CB 0.891 39.338 38.487 -0.067 0.000 1.196 54 N HN -0.136 nan 8.380 nan 0.000 0.499 55 P HA 0.051 nan 4.420 nan 0.000 0.247 55 P C -0.887 176.148 177.300 -0.441 0.000 1.225 55 P CA 0.604 63.437 63.100 -0.444 0.000 0.768 55 P CB -0.232 31.157 31.700 -0.518 0.000 1.020 56 Y N 0.408 120.692 120.300 -0.026 0.000 2.335 56 Y HA 0.489 5.039 4.550 -0.000 0.000 0.339 56 Y C 0.572 176.487 175.900 0.024 0.000 0.987 56 Y CA -1.218 56.888 58.100 0.011 0.000 1.140 56 Y CB 0.555 39.010 38.460 -0.008 0.000 1.173 56 Y HN -0.197 nan 8.280 nan 0.000 0.486 57 N N 1.069 119.877 118.700 0.181 0.000 2.371 57 N HA 0.535 5.275 4.740 -0.000 0.000 0.291 57 N C -1.708 173.882 175.510 0.135 0.000 1.053 57 N CA -0.415 52.715 53.050 0.134 0.000 0.870 57 N CB 1.391 39.919 38.487 0.068 0.000 1.503 57 N HN 0.484 nan 8.380 nan 0.000 0.485 58 T N 3.572 118.207 114.554 0.135 0.000 2.812 58 T HA 0.466 4.816 4.350 -0.000 0.000 0.282 58 T C -2.661 172.024 174.700 -0.026 0.000 0.990 58 T CA -1.119 61.014 62.100 0.056 0.000 0.960 58 T CB 1.655 70.545 68.868 0.037 0.000 0.948 58 T HN 0.380 nan 8.240 nan 0.000 0.438 59 P HA 0.113 nan 4.420 nan 0.000 0.266 59 P C -0.918 176.153 177.300 -0.382 0.000 1.180 59 P CA -0.073 62.886 63.100 -0.235 0.000 0.765 59 P CB 0.438 31.987 31.700 -0.251 0.000 0.806 60 V N 3.100 122.722 119.914 -0.487 0.000 2.876 60 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 60 V C -0.411 175.330 176.094 -0.588 0.000 1.085 60 V CA -0.305 61.754 62.300 -0.403 0.000 0.945 60 V CB 1.733 33.519 31.823 -0.061 0.000 1.017 60 V HN 0.364 nan 8.190 nan 0.000 0.428 61 F N 0.514 120.487 119.950 0.039 0.000 2.726 61 F HA 0.943 5.470 4.527 -0.000 0.000 0.324 61 F C 0.118 175.972 175.800 0.090 0.000 1.140 61 F CA -0.854 57.187 58.000 0.068 0.000 0.964 61 F CB 2.019 41.053 39.000 0.057 0.000 1.399 61 F HN 0.668 nan 8.300 nan 0.000 0.491 62 A N 1.325 124.380 122.820 0.392 0.000 2.540 62 A HA 0.779 5.099 4.320 -0.000 0.000 0.297 62 A C -1.964 175.902 177.584 0.470 0.000 1.056 62 A CA -0.425 51.830 52.037 0.364 0.000 0.700 62 A CB 1.508 20.666 19.000 0.264 0.000 1.280 62 A HN 0.786 nan 8.150 nan 0.000 0.398 63 I N 1.071 121.879 120.570 0.396 0.000 2.802 63 I HA 0.433 4.603 4.170 -0.000 0.000 0.298 63 I C -0.522 175.614 176.117 0.032 0.000 1.176 63 I CA -0.822 60.604 61.300 0.210 0.000 1.025 63 I CB 2.069 40.118 38.000 0.082 0.000 1.243 63 I HN 0.747 nan 8.210 nan 0.000 0.424 64 K N 4.435 124.652 120.400 -0.305 0.000 2.414 64 K HA 0.080 4.400 4.320 -0.000 0.000 0.272 64 K C -0.279 176.198 176.600 -0.205 0.000 0.993 64 K CA -0.165 55.848 56.287 -0.458 0.000 0.964 64 K CB 0.778 32.916 32.500 -0.603 0.000 0.925 64 K HN 0.325 nan 8.250 nan 0.000 0.487 65 K N 1.608 121.909 120.400 -0.165 0.000 2.731 65 K HA 0.102 4.422 4.320 -0.000 0.000 0.284 65 K C -0.394 176.149 176.600 -0.094 0.000 1.027 65 K CA -0.139 56.097 56.287 -0.085 0.000 1.040 65 K CB 0.416 32.889 32.500 -0.044 0.000 1.334 65 K HN 0.138 nan 8.250 nan 0.000 0.498 66 K N 2.281 122.643 120.400 -0.063 0.000 2.466 66 K HA -0.079 4.241 4.320 -0.000 0.000 0.278 66 K C -0.442 176.119 176.600 -0.066 0.000 1.048 66 K CA 1.041 57.294 56.287 -0.057 0.000 1.088 66 K CB -0.211 32.266 32.500 -0.039 0.000 0.884 66 K HN 0.745 nan 8.250 nan 0.000 0.478 67 D N 1.484 121.841 120.400 -0.070 0.000 3.046 67 D HA -0.211 4.429 4.640 -0.000 0.000 0.210 67 D C -0.823 175.419 176.300 -0.097 0.000 1.124 67 D CA 1.456 55.414 54.000 -0.070 0.000 0.986 67 D CB -0.969 39.801 40.800 -0.050 0.000 1.118 67 D HN 0.633 nan 8.370 nan 0.000 0.416 68 S N -2.932 112.685 115.700 -0.139 0.000 3.695 68 S HA -0.269 4.201 4.470 -0.000 0.000 0.310 68 S C 1.369 175.853 174.600 -0.194 0.000 1.166 68 S CA 1.711 59.781 58.200 -0.216 0.000 0.882 68 S CB -2.229 60.847 63.200 -0.207 0.000 0.949 68 S HN 0.727 nan 8.310 nan 0.000 0.540 69 T N -1.316 113.161 114.554 -0.128 0.000 2.698 69 T HA 0.121 4.471 4.350 -0.000 0.000 0.260 69 T C 0.600 175.262 174.700 -0.063 0.000 1.044 69 T CA 0.804 62.860 62.100 -0.074 0.000 1.149 69 T CB 0.044 68.890 68.868 -0.037 0.000 0.864 69 T HN 0.533 nan 8.240 nan 0.000 0.419 70 K N -0.297 120.063 120.400 -0.067 0.000 2.435 70 K HA 0.486 4.806 4.320 -0.000 0.000 0.251 70 K C -1.433 175.160 176.600 -0.010 0.000 0.954 70 K CA -0.969 55.331 56.287 0.021 0.000 0.820 70 K CB 1.733 34.281 32.500 0.079 0.000 1.292 70 K HN 0.196 nan 8.250 nan 0.000 0.436 71 W N 1.346 122.664 121.300 0.031 0.000 2.141 71 W HA 0.411 5.071 4.660 -0.000 0.000 0.354 71 W C 0.508 177.052 176.519 0.043 0.000 1.297 71 W CA -0.204 57.164 57.345 0.038 0.000 1.380 71 W CB 0.457 29.945 29.460 0.046 0.000 1.168 71 W HN 0.338 nan 8.180 nan 0.000 0.639 72 R N 1.351 122.041 120.500 0.318 0.000 2.744 72 R HA 0.339 4.679 4.340 -0.000 0.000 0.279 72 R C -1.165 175.262 176.300 0.212 0.000 0.977 72 R CA -0.972 55.250 56.100 0.203 0.000 0.906 72 R CB 1.579 31.957 30.300 0.129 0.000 1.197 72 R HN 0.479 nan 8.270 nan 0.000 0.463 73 K N 4.335 124.835 120.400 0.166 0.000 2.292 73 K HA 0.229 4.549 4.320 -0.000 0.000 0.270 73 K C -1.262 175.410 176.600 0.119 0.000 1.062 73 K CA -0.563 55.808 56.287 0.140 0.000 0.916 73 K CB 0.808 33.374 32.500 0.109 0.000 1.166 73 K HN 0.364 nan 8.250 nan 0.000 0.458 74 L N 5.625 126.928 121.223 0.133 0.000 2.257 74 L HA 0.260 4.600 4.340 -0.000 0.000 0.290 74 L C -1.032 175.854 176.870 0.027 0.000 1.044 74 L CA -0.330 54.584 54.840 0.124 0.000 0.810 74 L CB 1.532 43.715 42.059 0.207 0.000 1.193 74 L HN 0.332 nan 8.230 nan 0.000 0.425 75 V N 4.261 124.128 119.914 -0.080 0.000 2.239 75 V HA 0.149 4.269 4.120 -0.000 0.000 0.267 75 V C -0.142 175.717 176.094 -0.392 0.000 1.056 75 V CA -0.783 61.289 62.300 -0.378 0.000 0.830 75 V CB 0.795 32.188 31.823 -0.717 0.000 1.090 75 V HN 0.719 nan 8.190 nan 0.000 0.459 76 D N 2.984 123.283 120.400 -0.169 0.000 2.419 76 D HA -0.015 4.625 4.640 -0.000 0.000 0.281 76 D C 0.660 176.920 176.300 -0.067 0.000 1.398 76 D CA 0.683 54.675 54.000 -0.013 0.000 1.047 76 D CB 0.010 40.868 40.800 0.098 0.000 1.115 76 D HN 0.497 nan 8.370 nan 0.000 0.540 77 F N 2.175 122.186 119.950 0.102 0.000 2.797 77 F HA 0.138 4.665 4.527 -0.000 0.000 0.302 77 F C 2.155 178.037 175.800 0.136 0.000 1.130 77 F CA -0.406 57.670 58.000 0.126 0.000 1.387 77 F CB 0.139 39.242 39.000 0.170 0.000 1.107 77 F HN 0.294 nan 8.300 nan 0.000 0.577 78 R N 0.409 121.068 120.500 0.266 0.000 2.208 78 R HA -0.259 4.081 4.340 -0.000 0.000 0.262 78 R C 1.739 178.153 176.300 0.191 0.000 1.166 78 R CA 1.788 58.005 56.100 0.194 0.000 0.987 78 R CB -0.453 29.930 30.300 0.139 0.000 0.887 78 R HN 0.326 nan 8.270 nan 0.000 0.459 79 E N 0.372 120.692 120.200 0.200 0.000 2.076 79 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 79 E C 1.981 178.710 176.600 0.215 0.000 0.979 79 E CA 0.533 57.042 56.400 0.182 0.000 0.807 79 E CB -0.260 29.535 29.700 0.159 0.000 0.761 79 E HN 0.146 nan 8.360 nan 0.000 0.454 80 L N 2.084 123.485 121.223 0.297 0.000 2.046 80 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 80 L C 1.560 178.629 176.870 0.331 0.000 1.077 80 L CA 1.607 56.634 54.840 0.312 0.000 0.747 80 L CB -0.681 41.622 42.059 0.406 0.000 0.896 80 L HN -0.016 nan 8.230 nan 0.000 0.432 81 N N 0.351 119.252 118.700 0.334 0.000 2.069 81 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 81 N C 1.754 177.365 175.510 0.168 0.000 1.031 81 N CA 1.602 54.802 53.050 0.251 0.000 0.852 81 N CB -0.282 38.316 38.487 0.187 0.000 1.018 81 N HN 0.417 nan 8.380 nan 0.000 0.423 82 K N 0.414 120.902 120.400 0.146 0.000 2.362 82 K HA 0.023 4.343 4.320 -0.000 0.000 0.200 82 K C 1.594 178.254 176.600 0.099 0.000 1.046 82 K CA 0.725 57.074 56.287 0.104 0.000 0.952 82 K CB 0.123 32.678 32.500 0.093 0.000 0.753 82 K HN 0.162 nan 8.250 nan 0.000 0.466 83 R N -0.418 120.158 120.500 0.126 0.000 2.308 83 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 83 R C 0.150 176.520 176.300 0.116 0.000 0.898 83 R CA 0.113 56.272 56.100 0.098 0.000 1.046 83 R CB 0.715 31.065 30.300 0.083 0.000 1.026 83 R HN -0.048 nan 8.270 nan 0.000 0.512 84 T N 2.206 116.878 114.554 0.198 0.000 2.910 84 T HA 0.048 4.398 4.350 -0.000 0.000 0.293 84 T C 0.102 174.864 174.700 0.104 0.000 1.015 84 T CA -0.394 61.863 62.100 0.262 0.000 1.094 84 T CB 1.269 70.406 68.868 0.449 0.000 0.968 84 T HN 0.220 nan 8.240 nan 0.000 0.521 85 Q N 2.347 122.150 119.800 0.005 0.000 2.474 85 Q HA 0.151 4.491 4.340 -0.000 0.000 0.256 85 Q C -0.718 175.135 176.000 -0.245 0.000 1.048 85 Q CA -0.423 55.276 55.803 -0.173 0.000 0.922 85 Q CB 0.506 29.038 28.738 -0.345 0.000 1.288 85 Q HN 0.418 nan 8.270 nan 0.000 0.484 86 D N 0.811 121.072 120.400 -0.230 0.000 2.313 86 D HA 0.308 4.948 4.640 -0.000 0.000 0.247 86 D C -0.758 175.343 176.300 -0.330 0.000 1.094 86 D CA 0.115 54.038 54.000 -0.129 0.000 0.925 86 D CB 0.558 41.327 40.800 -0.051 0.000 1.188 86 D HN 0.395 nan 8.370 nan 0.000 0.430 87 F N -0.411 119.497 119.950 -0.070 0.000 2.712 87 F HA 0.360 4.887 4.527 -0.000 0.000 0.367 87 F C 0.182 176.037 175.800 0.092 0.000 1.132 87 F CA -1.132 56.851 58.000 -0.029 0.000 1.066 87 F CB 1.106 40.030 39.000 -0.125 0.000 1.416 87 F HN 0.239 nan 8.300 nan 0.000 0.515 88 W N 2.264 123.641 121.300 0.128 0.000 2.316 88 W HA 0.228 4.888 4.660 -0.000 0.000 0.311 88 W C -0.350 176.190 176.519 0.034 0.000 1.217 88 W CA -0.792 56.580 57.345 0.045 0.000 1.199 88 W CB 0.905 30.380 29.460 0.024 0.000 1.202 88 W HN 0.368 nan 8.180 nan 0.000 0.528 89 E N 3.126 122.839 120.200 -0.811 0.000 2.529 89 E HA -0.093 4.257 4.350 -0.000 0.000 0.259 89 E C 1.110 177.361 176.600 -0.582 0.000 0.966 89 E CA 0.224 56.209 56.400 -0.692 0.000 0.937 89 E CB 1.410 30.644 29.700 -0.777 0.000 0.923 89 E HN 0.422 nan 8.360 nan 0.000 0.468 90 V N 3.774 123.510 119.914 -0.296 0.000 2.220 90 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 90 V C 0.940 176.953 176.094 -0.136 0.000 1.049 90 V CA 1.797 63.995 62.300 -0.171 0.000 1.003 90 V CB -0.313 31.443 31.823 -0.112 0.000 0.634 90 V HN 0.594 nan 8.190 nan 0.000 0.444 91 Q N -0.786 118.948 119.800 -0.110 0.000 2.310 91 Q HA 0.464 4.804 4.340 -0.000 0.000 0.270 91 Q C -0.590 175.364 176.000 -0.078 0.000 1.025 91 Q CA -0.393 55.390 55.803 -0.032 0.000 0.772 91 Q CB 1.997 30.790 28.738 0.091 0.000 1.253 91 Q HN 0.262 nan 8.270 nan 0.000 0.450 92 L N 1.024 122.199 121.223 -0.079 0.000 2.628 92 L HA 0.392 4.732 4.340 -0.000 0.000 0.229 92 L C 0.639 177.501 176.870 -0.014 0.000 1.137 92 L CA 0.141 54.932 54.840 -0.082 0.000 0.909 92 L CB 0.600 42.607 42.059 -0.087 0.000 1.137 92 L HN 0.692 nan 8.230 nan 0.000 0.470 93 G N -0.819 107.994 108.800 0.022 0.000 2.489 93 G HA2 0.501 4.461 3.960 -0.000 0.000 0.291 93 G HA3 0.501 4.461 3.960 -0.000 0.000 0.291 93 G C -1.871 173.076 174.900 0.080 0.000 1.487 93 G CA -0.505 44.617 45.100 0.037 0.000 0.795 93 G HN -0.229 nan 8.290 nan 0.000 0.513 94 I N 1.072 121.681 120.570 0.065 0.000 2.509 94 I HA 0.406 4.576 4.170 -0.000 0.000 0.293 94 I C -2.060 174.072 176.117 0.026 0.000 1.020 94 I CA -2.351 59.008 61.300 0.099 0.000 1.088 94 I CB 1.328 39.367 38.000 0.065 0.000 1.267 94 I HN 0.223 nan 8.210 nan 0.000 0.430 95 P HA 0.104 nan 4.420 nan 0.000 0.266 95 P C -0.414 176.779 177.300 -0.178 0.000 1.195 95 P CA 0.161 63.139 63.100 -0.205 0.000 0.768 95 P CB 0.366 31.766 31.700 -0.501 0.000 0.838 96 H N 3.890 122.763 119.070 -0.329 0.000 2.473 96 H HA 0.174 4.730 4.556 -0.000 0.000 0.327 96 H C -1.741 173.232 175.328 -0.592 0.000 1.105 96 H CA -2.107 53.681 56.048 -0.434 0.000 1.280 96 H CB 1.329 30.817 29.762 -0.458 0.000 1.450 96 H HN 0.213 nan 8.280 nan 0.000 0.492 97 P HA -0.212 nan 4.420 nan 0.000 0.217 97 P C 1.123 178.105 177.300 -0.529 0.000 1.162 97 P CA 2.563 65.114 63.100 -0.914 0.000 0.901 97 P CB -0.065 30.604 31.700 -1.718 0.000 0.793 98 A N -0.835 121.693 122.820 -0.487 0.000 2.139 98 A HA -0.102 4.217 4.320 -0.000 0.000 0.221 98 A C 2.214 179.933 177.584 0.225 0.000 1.159 98 A CA 1.938 54.007 52.037 0.052 0.000 0.662 98 A CB -1.602 17.526 19.000 0.212 0.000 0.796 98 A HN 0.355 nan 8.150 nan 0.000 0.463 99 G N -1.309 107.431 108.800 -0.100 0.000 2.986 99 G HA2 0.383 4.343 3.960 -0.000 0.000 0.213 99 G HA3 0.383 4.343 3.960 -0.000 0.000 0.213 99 G C 0.468 175.378 174.900 0.017 0.000 1.156 99 G CA -0.346 44.640 45.100 -0.189 0.000 0.763 99 G HN 0.385 nan 8.290 nan 0.000 0.547 100 L N 0.565 121.785 121.223 -0.005 0.000 2.417 100 L HA 0.372 4.712 4.340 -0.000 0.000 0.268 100 L C 0.176 177.025 176.870 -0.034 0.000 1.158 100 L CA -0.622 54.149 54.840 -0.115 0.000 0.819 100 L CB 1.065 42.920 42.059 -0.341 0.000 1.112 100 L HN -0.091 nan 8.230 nan 0.000 0.458 101 K N 1.999 122.339 120.400 -0.100 0.000 2.118 101 K HA 0.192 4.512 4.320 -0.000 0.000 0.264 101 K C -0.163 176.289 176.600 -0.248 0.000 1.000 101 K CA -0.549 55.703 56.287 -0.058 0.000 0.929 101 K CB 0.746 33.230 32.500 -0.027 0.000 1.021 101 K HN 0.274 nan 8.250 nan 0.000 0.463 102 K N 2.707 123.055 120.400 -0.087 0.000 2.401 102 K HA 0.022 4.342 4.320 -0.000 0.000 0.278 102 K C -0.613 175.943 176.600 -0.072 0.000 1.018 102 K CA 0.314 56.569 56.287 -0.053 0.000 0.981 102 K CB 0.482 33.077 32.500 0.159 0.000 0.933 102 K HN 0.283 nan 8.250 nan 0.000 0.477 103 K N 3.615 123.971 120.400 -0.073 0.000 2.328 103 K HA 0.195 4.515 4.320 -0.000 0.000 0.246 103 K C 0.444 177.043 176.600 -0.001 0.000 0.955 103 K CA -0.609 55.654 56.287 -0.039 0.000 0.817 103 K CB 1.760 34.227 32.500 -0.056 0.000 1.208 103 K HN 0.560 nan 8.250 nan 0.000 0.432 104 K N 0.209 120.597 120.400 -0.020 0.000 2.044 104 K HA 0.127 4.447 4.320 -0.000 0.000 0.204 104 K C -0.070 176.487 176.600 -0.072 0.000 1.045 104 K CA 0.850 57.123 56.287 -0.024 0.000 0.951 104 K CB 0.327 32.813 32.500 -0.024 0.000 0.738 104 K HN 0.417 nan 8.250 nan 0.000 0.443 105 S N 0.095 115.685 115.700 -0.184 0.000 2.521 105 S HA 0.465 4.935 4.470 -0.000 0.000 0.295 105 S C -1.630 172.725 174.600 -0.409 0.000 1.098 105 S CA -0.823 57.142 58.200 -0.391 0.000 0.999 105 S CB 2.323 65.070 63.200 -0.755 0.000 1.034 105 S HN 0.099 nan 8.310 nan 0.000 0.483 106 V N 3.288 123.120 119.914 -0.136 0.000 2.851 106 V HA 0.901 5.021 4.120 -0.000 0.000 0.307 106 V C -0.935 175.359 176.094 0.333 0.000 1.129 106 V CA -0.157 62.242 62.300 0.166 0.000 0.932 106 V CB 1.940 33.922 31.823 0.266 0.000 1.024 106 V HN 1.050 nan 8.190 nan 0.000 0.426 107 T N 2.910 117.712 114.554 0.414 0.000 2.903 107 T HA 0.724 5.074 4.350 -0.000 0.000 0.299 107 T C -1.273 173.584 174.700 0.261 0.000 1.093 107 T CA -0.617 61.677 62.100 0.323 0.000 1.002 107 T CB 1.621 70.617 68.868 0.214 0.000 1.127 107 T HN 1.272 nan 8.240 nan 0.000 0.488 108 V N 3.673 123.724 119.914 0.227 0.000 2.448 108 V HA 0.650 4.770 4.120 -0.000 0.000 0.295 108 V C -0.961 175.069 176.094 -0.106 0.000 1.025 108 V CA -1.037 61.239 62.300 -0.040 0.000 0.859 108 V CB 0.897 32.655 31.823 -0.108 0.000 0.988 108 V HN 0.908 nan 8.190 nan 0.000 0.431 109 L N 6.537 127.655 121.223 -0.175 0.000 2.325 109 L HA 0.675 5.015 4.340 -0.000 0.000 0.278 109 L C -0.685 176.124 176.870 -0.101 0.000 1.023 109 L CA -0.700 54.053 54.840 -0.146 0.000 0.811 109 L CB 1.940 43.889 42.059 -0.184 0.000 1.249 109 L HN 0.711 nan 8.230 nan 0.000 0.431 110 D N 2.299 122.670 120.400 -0.049 0.000 2.549 110 D HA 0.211 4.851 4.640 -0.000 0.000 0.251 110 D C -0.509 175.782 176.300 -0.016 0.000 1.153 110 D CA -0.504 53.476 54.000 -0.033 0.000 0.861 110 D CB 2.113 42.899 40.800 -0.022 0.000 1.207 110 D HN 0.083 nan 8.370 nan 0.000 0.543 111 V N 2.338 122.252 119.914 -0.000 0.000 2.434 111 V HA 0.274 4.394 4.120 -0.000 0.000 0.281 111 V C 1.470 177.550 176.094 -0.024 0.000 1.005 111 V CA 0.123 62.439 62.300 0.027 0.000 1.089 111 V CB 0.292 32.195 31.823 0.134 0.000 0.978 111 V HN 0.681 nan 8.190 nan 0.000 0.474 112 G N 3.135 111.932 108.800 -0.004 0.000 2.403 112 G HA2 0.352 4.312 3.960 -0.000 0.000 0.259 112 G HA3 0.352 4.312 3.960 -0.000 0.000 0.259 112 G C 0.227 175.116 174.900 -0.018 0.000 1.244 112 G CA -0.272 44.815 45.100 -0.021 0.000 0.849 112 G HN 0.878 nan 8.290 nan 0.000 0.532 113 D N 0.622 120.980 120.400 -0.071 0.000 2.751 113 D HA -0.264 4.376 4.640 -0.000 0.000 0.233 113 D C 1.736 178.007 176.300 -0.047 0.000 1.149 113 D CA 0.900 54.864 54.000 -0.060 0.000 0.682 113 D CB -0.882 39.972 40.800 0.090 0.000 1.068 113 D HN 0.659 nan 8.370 nan 0.000 0.429 114 A N -0.122 122.589 122.820 -0.181 0.000 1.863 114 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 114 A C 1.938 179.510 177.584 -0.021 0.000 1.233 114 A CA 2.016 53.926 52.037 -0.211 0.000 0.655 114 A CB -1.155 17.317 19.000 -0.882 0.000 0.839 114 A HN 0.602 nan 8.150 nan 0.000 0.454 115 Y N -1.635 118.428 120.300 -0.394 0.000 2.181 115 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 115 Y C 2.237 178.234 175.900 0.160 0.000 1.179 115 Y CA 1.030 59.024 58.100 -0.176 0.000 1.179 115 Y CB -0.373 37.895 38.460 -0.321 0.000 0.973 115 Y HN 0.374 nan 8.280 nan 0.000 0.519 116 F N -1.515 118.538 119.950 0.171 0.000 2.780 116 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 116 F C 1.734 177.620 175.800 0.144 0.000 1.146 116 F CA -0.171 57.921 58.000 0.153 0.000 1.428 116 F CB 0.125 39.203 39.000 0.131 0.000 1.115 116 F HN -0.088 nan 8.300 nan 0.000 0.583 117 S N -0.240 115.658 115.700 0.330 0.000 2.556 117 S HA 0.144 4.614 4.470 -0.000 0.000 0.216 117 S C 0.278 175.028 174.600 0.251 0.000 0.970 117 S CA 0.033 58.387 58.200 0.256 0.000 0.912 117 S CB 0.324 63.662 63.200 0.229 0.000 0.790 117 S HN -0.113 nan 8.310 nan 0.000 0.504 118 V N 4.459 124.537 119.914 0.273 0.000 2.495 118 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 118 V C -2.517 173.692 176.094 0.193 0.000 1.031 118 V CA -2.252 60.184 62.300 0.228 0.000 0.871 118 V CB 1.954 33.928 31.823 0.252 0.000 0.988 118 V HN 0.030 nan 8.190 nan 0.000 0.432 119 P HA 0.133 nan 4.420 nan 0.000 0.274 119 P C -0.422 176.958 177.300 0.132 0.000 1.291 119 P CA -0.275 62.908 63.100 0.140 0.000 0.815 119 P CB 1.116 32.891 31.700 0.124 0.000 0.897 120 L N 3.851 125.155 121.223 0.136 0.000 2.485 120 L HA 0.112 4.452 4.340 -0.000 0.000 0.275 120 L C 0.408 177.359 176.870 0.135 0.000 1.207 120 L CA 0.246 55.161 54.840 0.126 0.000 0.855 120 L CB -0.420 41.702 42.059 0.105 0.000 1.114 120 L HN 0.278 nan 8.230 nan 0.000 0.485 121 D N 2.952 123.440 120.400 0.145 0.000 2.487 121 D HA -0.040 4.600 4.640 -0.000 0.000 0.243 121 D C 1.002 177.410 176.300 0.181 0.000 1.154 121 D CA 0.575 54.668 54.000 0.154 0.000 0.876 121 D CB 0.710 41.605 40.800 0.157 0.000 1.161 121 D HN 0.716 nan 8.370 nan 0.000 0.478 122 E N 2.458 122.740 120.200 0.137 0.000 2.035 122 E HA -0.244 4.106 4.350 -0.000 0.000 0.204 122 E C 1.035 177.714 176.600 0.132 0.000 1.025 122 E CA 1.559 58.028 56.400 0.116 0.000 0.835 122 E CB -0.054 29.697 29.700 0.085 0.000 0.764 122 E HN 0.617 nan 8.360 nan 0.000 0.457 123 D N -0.625 119.864 120.400 0.149 0.000 2.393 123 D HA -0.154 4.486 4.640 -0.000 0.000 0.220 123 D C 1.166 177.628 176.300 0.271 0.000 0.974 123 D CA 0.761 54.862 54.000 0.169 0.000 0.931 123 D CB -0.176 40.728 40.800 0.173 0.000 0.889 123 D HN 0.160 nan 8.370 nan 0.000 0.512 124 F N 0.101 120.128 119.950 0.129 0.000 2.653 124 F HA 0.178 4.705 4.527 -0.000 0.000 0.288 124 F C 1.963 177.838 175.800 0.124 0.000 1.121 124 F CA -0.224 57.908 58.000 0.219 0.000 1.384 124 F CB 0.365 39.436 39.000 0.118 0.000 1.115 124 F HN -0.280 nan 8.300 nan 0.000 0.599 125 R N 1.342 121.881 120.500 0.065 0.000 2.140 125 R HA -0.272 4.068 4.340 -0.000 0.000 0.250 125 R C 2.181 178.390 176.300 -0.152 0.000 1.150 125 R CA 2.266 58.363 56.100 -0.006 0.000 0.966 125 R CB -0.778 29.553 30.300 0.052 0.000 0.869 125 R HN 0.368 nan 8.270 nan 0.000 0.445 126 K N 0.042 120.272 120.400 -0.284 0.000 2.293 126 K HA -0.227 4.093 4.320 -0.000 0.000 0.204 126 K C 1.171 177.436 176.600 -0.558 0.000 1.045 126 K CA 1.907 57.958 56.287 -0.394 0.000 0.933 126 K CB -0.315 31.884 32.500 -0.502 0.000 0.736 126 K HN 0.298 nan 8.250 nan 0.000 0.463 127 Y N 1.803 121.826 120.300 -0.462 0.000 2.448 127 Y HA -0.002 4.548 4.550 -0.000 0.000 0.289 127 Y C 1.919 177.688 175.900 -0.217 0.000 1.114 127 Y CA 1.022 58.788 58.100 -0.557 0.000 1.235 127 Y CB 0.004 37.873 38.460 -0.987 0.000 1.045 127 Y HN 0.241 nan 8.280 nan 0.000 0.554 128 T N -1.201 113.339 114.554 -0.024 0.000 3.406 128 T HA 0.576 4.926 4.350 -0.000 0.000 0.244 128 T C 0.322 175.255 174.700 0.387 0.000 0.949 128 T CA -0.285 61.967 62.100 0.253 0.000 0.926 128 T CB -0.899 68.131 68.868 0.271 0.000 1.089 128 T HN 0.186 nan 8.240 nan 0.000 0.604 129 A N 1.876 124.864 122.820 0.280 0.000 2.301 129 A HA 0.719 5.039 4.320 -0.000 0.000 0.298 129 A C -0.176 177.623 177.584 0.358 0.000 1.185 129 A CA -0.931 51.278 52.037 0.286 0.000 0.830 129 A CB 0.213 19.292 19.000 0.132 0.000 1.112 129 A HN 0.674 nan 8.150 nan 0.000 0.508 130 F N 0.272 120.251 119.950 0.048 0.000 2.814 130 F HA 0.927 5.454 4.527 -0.000 0.000 0.353 130 F C -0.039 175.766 175.800 0.008 0.000 1.177 130 F CA -0.875 57.131 58.000 0.010 0.000 1.036 130 F CB 0.975 39.963 39.000 -0.020 0.000 1.455 130 F HN 0.564 nan 8.300 nan 0.000 0.520 131 T N -1.019 113.551 114.554 0.027 0.000 3.041 131 T HA 0.650 5.000 4.350 -0.000 0.000 0.321 131 T C -1.121 173.571 174.700 -0.013 0.000 1.184 131 T CA -0.578 61.457 62.100 -0.109 0.000 1.050 131 T CB 1.255 70.079 68.868 -0.073 0.000 1.159 131 T HN 0.744 nan 8.240 nan 0.000 0.469 132 I N 3.120 123.663 120.570 -0.046 0.000 2.287 132 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 132 I C -2.320 173.783 176.117 -0.024 0.000 1.069 132 I CA -2.370 58.937 61.300 0.011 0.000 1.237 132 I CB 0.739 38.763 38.000 0.038 0.000 1.418 132 I HN 0.348 nan 8.210 nan 0.000 0.481 133 P HA -0.024 nan 4.420 nan 0.000 0.270 133 P C -0.371 176.906 177.300 -0.037 0.000 1.221 133 P CA -0.041 63.041 63.100 -0.030 0.000 0.788 133 P CB 0.459 32.149 31.700 -0.017 0.000 0.904 134 S N 0.159 115.832 115.700 -0.045 0.000 2.549 134 S HA 0.479 4.949 4.470 -0.000 0.000 0.297 134 S C 0.119 174.694 174.600 -0.042 0.000 1.115 134 S CA -0.936 57.237 58.200 -0.045 0.000 1.059 134 S CB 0.150 63.320 63.200 -0.050 0.000 1.046 134 S HN 0.244 nan 8.310 nan 0.000 0.506 135 I N 2.663 123.210 120.570 -0.037 0.000 3.045 135 I HA -0.129 4.041 4.170 -0.000 0.000 0.306 135 I C 0.624 176.717 176.117 -0.040 0.000 1.232 135 I CA 0.656 61.936 61.300 -0.034 0.000 1.415 135 I CB -1.050 36.933 38.000 -0.028 0.000 1.364 135 I HN 0.843 nan 8.210 nan 0.000 0.538 136 N N 5.258 123.931 118.700 -0.044 0.000 2.688 136 N HA -0.217 4.523 4.740 -0.000 0.000 0.258 136 N C -0.578 174.890 175.510 -0.069 0.000 1.016 136 N CA -0.120 52.894 53.050 -0.059 0.000 0.747 136 N CB -1.080 37.379 38.487 -0.048 0.000 0.895 136 N HN 0.716 nan 8.380 nan 0.000 0.543 137 N N 0.457 119.111 118.700 -0.076 0.000 2.777 137 N HA -0.213 4.527 4.740 -0.000 0.000 0.301 137 N C 0.412 175.883 175.510 -0.065 0.000 1.107 137 N CA 1.512 54.517 53.050 -0.076 0.000 0.790 137 N CB 0.105 38.532 38.487 -0.099 0.000 0.980 137 N HN 0.684 nan 8.380 nan 0.000 0.584 138 E N -0.538 119.629 120.200 -0.056 0.000 3.596 138 E HA 0.035 4.385 4.350 -0.000 0.000 0.188 138 E C 0.441 177.011 176.600 -0.050 0.000 1.232 138 E CA 0.063 56.433 56.400 -0.050 0.000 1.460 138 E CB -0.213 29.461 29.700 -0.044 0.000 1.513 138 E HN 0.402 nan 8.360 nan 0.000 0.530 139 T N 3.073 117.597 114.554 -0.050 0.000 2.589 139 T HA -0.010 4.340 4.350 -0.000 0.000 0.342 139 T C -1.493 173.171 174.700 -0.060 0.000 1.044 139 T CA -0.590 61.478 62.100 -0.053 0.000 1.020 139 T CB -0.062 68.774 68.868 -0.053 0.000 1.070 139 T HN 0.090 nan 8.240 nan 0.000 0.524 140 P HA 0.178 nan 4.420 nan 0.000 0.219 140 P C 0.784 178.034 177.300 -0.084 0.000 1.154 140 P CA 1.008 64.063 63.100 -0.075 0.000 0.826 140 P CB -0.275 31.376 31.700 -0.083 0.000 0.795 141 G N 0.548 109.296 108.800 -0.088 0.000 2.662 141 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.686 141 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.686 141 G C -0.802 174.017 174.900 -0.136 0.000 1.271 141 G CA -0.737 44.307 45.100 -0.093 0.000 0.816 141 G HN 0.091 nan 8.290 nan 0.000 0.608 142 I N 0.450 120.928 120.570 -0.153 0.000 2.440 142 I HA 0.503 4.673 4.170 -0.000 0.000 0.294 142 I C 1.024 176.931 176.117 -0.351 0.000 0.995 142 I CA -0.236 60.904 61.300 -0.266 0.000 1.306 142 I CB 1.300 39.160 38.000 -0.235 0.000 1.407 142 I HN 0.528 nan 8.210 nan 0.000 0.501 143 R N 4.932 125.140 120.500 -0.487 0.000 2.562 143 R HA 0.631 4.971 4.340 -0.000 0.000 0.298 143 R C -1.570 174.324 176.300 -0.676 0.000 0.961 143 R CA -0.664 55.153 56.100 -0.473 0.000 0.881 143 R CB 2.067 32.184 30.300 -0.304 0.000 1.159 143 R HN 0.445 nan 8.270 nan 0.000 0.450 144 Y N 0.453 120.357 120.300 -0.659 0.000 2.581 144 Y HA 0.239 4.789 4.550 -0.000 0.000 0.345 144 Y C -0.127 175.571 175.900 -0.337 0.000 1.036 144 Y CA -0.836 56.921 58.100 -0.571 0.000 1.042 144 Y CB 2.387 40.380 38.460 -0.778 0.000 1.289 144 Y HN 0.509 nan 8.280 nan 0.000 0.471 145 Q N 0.090 119.930 119.800 0.068 0.000 2.528 145 Q HA 0.582 4.922 4.340 -0.000 0.000 0.289 145 Q C -2.068 173.977 176.000 0.075 0.000 1.091 145 Q CA -1.047 54.838 55.803 0.136 0.000 0.797 145 Q CB 2.259 31.035 28.738 0.064 0.000 1.466 145 Q HN 0.631 nan 8.270 nan 0.000 0.436 146 Y N 0.877 121.273 120.300 0.159 0.000 2.320 146 Y HA 0.337 4.887 4.550 -0.000 0.000 0.324 146 Y C 0.411 176.343 175.900 0.052 0.000 1.190 146 Y CA -0.194 57.964 58.100 0.097 0.000 1.215 146 Y CB 1.501 40.014 38.460 0.088 0.000 1.221 146 Y HN 0.748 nan 8.280 nan 0.000 0.486 147 N N 0.872 119.714 118.700 0.237 0.000 2.143 147 N HA 0.139 4.879 4.740 -0.000 0.000 0.222 147 N C -0.852 174.759 175.510 0.167 0.000 1.264 147 N CA 0.375 53.517 53.050 0.154 0.000 0.897 147 N CB 1.158 39.699 38.487 0.089 0.000 1.092 147 N HN 0.358 nan 8.380 nan 0.000 0.516 148 V N -2.670 117.382 119.914 0.229 0.000 3.105 148 V HA 0.568 4.688 4.120 -0.000 0.000 0.311 148 V C -0.283 175.932 176.094 0.200 0.000 1.287 148 V CA -1.153 61.278 62.300 0.219 0.000 1.066 148 V CB 1.525 33.493 31.823 0.242 0.000 1.105 148 V HN -0.163 nan 8.190 nan 0.000 0.462 149 L N 2.096 123.449 121.223 0.217 0.000 2.433 149 L HA 0.372 4.712 4.340 -0.000 0.000 0.275 149 L C -2.318 174.621 176.870 0.115 0.000 1.128 149 L CA -1.152 53.754 54.840 0.110 0.000 0.875 149 L CB 0.385 42.447 42.059 0.005 0.000 1.171 149 L HN 0.459 nan 8.230 nan 0.000 0.463 150 P HA 0.041 nan 4.420 nan 0.000 0.271 150 P C -0.294 177.043 177.300 0.062 0.000 1.226 150 P CA -0.452 62.485 63.100 -0.271 0.000 0.765 150 P CB 0.738 32.058 31.700 -0.633 0.000 0.835 151 Q N 2.014 121.931 119.800 0.195 0.000 2.576 151 Q HA -0.007 4.333 4.340 -0.000 0.000 0.218 151 Q C 1.341 177.471 176.000 0.217 0.000 0.983 151 Q CA 1.463 57.402 55.803 0.226 0.000 0.920 151 Q CB -1.009 27.693 28.738 -0.061 0.000 0.973 151 Q HN 0.548 nan 8.270 nan 0.000 0.528 152 G N -1.591 107.353 108.800 0.240 0.000 3.528 152 G HA2 0.139 4.099 3.960 -0.000 0.000 0.266 152 G HA3 0.139 4.099 3.960 -0.000 0.000 0.266 152 G C -1.081 173.915 174.900 0.159 0.000 1.004 152 G CA -0.686 44.570 45.100 0.259 0.000 0.853 152 G HN 0.266 nan 8.290 nan 0.000 0.501 153 W N 1.748 122.849 121.300 -0.332 0.000 2.313 153 W HA 0.493 5.153 4.660 -0.000 0.000 0.328 153 W C 1.378 177.703 176.519 -0.323 0.000 1.197 153 W CA -1.241 55.801 57.345 -0.505 0.000 1.235 153 W CB 1.508 30.500 29.460 -0.780 0.000 1.158 153 W HN -0.012 nan 8.180 nan 0.000 0.578 154 K N 2.428 122.330 120.400 -0.829 0.000 2.107 154 K HA -0.172 4.148 4.320 -0.000 0.000 0.211 154 K C 1.692 177.548 176.600 -1.239 0.000 1.049 154 K CA 2.288 58.064 56.287 -0.851 0.000 0.927 154 K CB -0.637 31.519 32.500 -0.574 0.000 0.714 154 K HN 0.686 nan 8.250 nan 0.000 0.452 155 G N -1.310 106.125 108.800 -2.276 0.000 3.371 155 G HA2 0.033 3.993 3.960 -0.000 0.000 0.248 155 G HA3 0.033 3.993 3.960 -0.000 0.000 0.248 155 G C 0.795 174.862 174.900 -1.389 0.000 1.161 155 G CA -0.092 43.642 45.100 -2.278 0.000 0.796 155 G HN 0.198 nan 8.290 nan 0.000 0.539 156 S N 1.488 116.608 115.700 -0.967 0.000 2.371 156 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 156 S C -0.085 174.058 174.600 -0.762 0.000 1.029 156 S CA 0.903 58.614 58.200 -0.815 0.000 0.978 156 S CB -0.385 62.153 63.200 -1.103 0.000 0.833 156 S HN 0.251 nan 8.310 nan 0.000 0.466 157 P HA -0.040 nan 4.420 nan 0.000 0.214 157 P C 1.538 178.731 177.300 -0.178 0.000 1.163 157 P CA 1.476 64.468 63.100 -0.181 0.000 0.883 157 P CB -0.114 31.498 31.700 -0.147 0.000 0.788 158 A N -0.332 122.282 122.820 -0.343 0.000 1.841 158 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 158 A C 2.244 179.714 177.584 -0.191 0.000 1.199 158 A CA 1.817 53.694 52.037 -0.267 0.000 0.621 158 A CB -1.753 17.016 19.000 -0.386 0.000 0.835 158 A HN 0.077 nan 8.150 nan 0.000 0.445 159 I N -1.735 118.664 120.570 -0.285 0.000 2.264 159 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 159 I C 2.406 178.477 176.117 -0.077 0.000 1.111 159 I CA 1.704 62.917 61.300 -0.145 0.000 1.382 159 I CB -0.406 37.510 38.000 -0.141 0.000 1.060 159 I HN 0.474 nan 8.210 nan 0.000 0.418 160 F N 1.903 121.741 119.950 -0.187 0.000 2.113 160 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 160 F C 2.659 178.422 175.800 -0.062 0.000 1.103 160 F CA 1.615 59.560 58.000 -0.091 0.000 1.248 160 F CB -0.324 38.664 39.000 -0.021 0.000 0.999 160 F HN -0.004 nan 8.300 nan 0.000 0.475 161 Q N -0.142 119.557 119.800 -0.169 0.000 2.167 161 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 161 Q C 2.566 178.423 176.000 -0.237 0.000 0.970 161 Q CA 1.499 57.161 55.803 -0.235 0.000 0.855 161 Q CB -0.922 27.782 28.738 -0.057 0.000 0.911 161 Q HN 0.489 nan 8.270 nan 0.000 0.438 162 S N 0.126 115.729 115.700 -0.161 0.000 2.368 162 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 162 S C 2.057 176.552 174.600 -0.175 0.000 1.029 162 S CA 1.417 59.548 58.200 -0.116 0.000 0.988 162 S CB 0.081 63.252 63.200 -0.049 0.000 0.838 162 S HN 0.325 nan 8.310 nan 0.000 0.462 163 S N 1.447 117.008 115.700 -0.233 0.000 2.355 163 S HA -0.063 4.407 4.470 -0.000 0.000 0.222 163 S C 1.828 176.216 174.600 -0.352 0.000 1.031 163 S CA 1.544 59.592 58.200 -0.253 0.000 0.993 163 S CB -0.489 62.585 63.200 -0.210 0.000 0.859 163 S HN 0.625 nan 8.310 nan 0.000 0.453 164 M N 2.067 121.366 119.600 -0.501 0.000 2.267 164 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 164 M C 1.749 177.853 176.300 -0.326 0.000 1.063 164 M CA 1.443 56.454 55.300 -0.482 0.000 1.090 164 M CB -1.012 31.200 32.600 -0.646 0.000 1.392 164 M HN 0.148 nan 8.290 nan 0.000 0.422 165 T N 0.227 114.622 114.554 -0.265 0.000 2.812 165 T HA -0.067 4.283 4.350 -0.000 0.000 0.264 165 T C 1.747 176.342 174.700 -0.174 0.000 1.042 165 T CA 1.456 63.450 62.100 -0.175 0.000 1.140 165 T CB -0.081 68.716 68.868 -0.119 0.000 0.870 165 T HN 0.453 nan 8.240 nan 0.000 0.445 166 K N 0.645 120.919 120.400 -0.211 0.000 2.148 166 K HA 0.110 4.430 4.320 -0.000 0.000 0.204 166 K C 2.085 178.474 176.600 -0.352 0.000 1.050 166 K CA 0.922 57.073 56.287 -0.227 0.000 0.942 166 K CB -0.210 32.160 32.500 -0.217 0.000 0.724 166 K HN 0.327 nan 8.250 nan 0.000 0.446 167 I N 0.889 121.168 120.570 -0.486 0.000 2.614 167 I HA -0.231 3.939 4.170 -0.000 0.000 0.258 167 I C 1.849 177.710 176.117 -0.427 0.000 1.189 167 I CA 1.005 61.849 61.300 -0.760 0.000 1.462 167 I CB -0.007 37.544 38.000 -0.747 0.000 1.092 167 I HN 0.122 nan 8.210 nan 0.000 0.442 168 L N -0.203 120.895 121.223 -0.208 0.000 2.298 168 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 168 L C 2.418 179.357 176.870 0.116 0.000 1.084 168 L CA 0.512 55.349 54.840 -0.005 0.000 0.816 168 L CB -0.418 41.615 42.059 -0.042 0.000 0.967 168 L HN 0.175 nan 8.230 nan 0.000 0.460 169 E N 0.844 121.058 120.200 0.023 0.000 2.136 169 E HA -0.285 4.065 4.350 -0.000 0.000 0.208 169 E C -0.624 176.021 176.600 0.075 0.000 1.035 169 E CA 2.214 58.636 56.400 0.036 0.000 0.838 169 E CB -0.631 29.062 29.700 -0.011 0.000 0.748 169 E HN 0.320 nan 8.360 nan 0.000 0.459 170 P HA -0.141 nan 4.420 nan 0.000 0.214 170 P C 1.175 178.498 177.300 0.039 0.000 1.162 170 P CA 1.151 64.296 63.100 0.076 0.000 0.879 170 P CB -0.243 31.529 31.700 0.120 0.000 0.786 171 F N 1.192 121.119 119.950 -0.038 0.000 2.095 171 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 171 F C 1.982 177.778 175.800 -0.006 0.000 1.104 171 F CA 1.752 59.723 58.000 -0.048 0.000 1.232 171 F CB -0.549 38.523 39.000 0.120 0.000 0.987 171 F HN -0.263 nan 8.300 nan 0.000 0.475 172 K N 0.167 120.711 120.400 0.241 0.000 2.063 172 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 172 K C 2.301 178.873 176.600 -0.046 0.000 1.048 172 K CA 1.507 57.864 56.287 0.116 0.000 0.928 172 K CB -0.313 32.268 32.500 0.135 0.000 0.713 172 K HN 0.095 nan 8.250 nan 0.000 0.442 173 K N 1.222 121.600 120.400 -0.035 0.000 2.103 173 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 173 K C 1.978 178.511 176.600 -0.111 0.000 1.048 173 K CA 1.645 57.900 56.287 -0.054 0.000 0.930 173 K CB 0.071 32.554 32.500 -0.029 0.000 0.716 173 K HN 0.021 nan 8.250 nan 0.000 0.444 174 Q N 0.609 120.294 119.800 -0.191 0.000 2.230 174 Q HA 0.063 4.403 4.340 -0.000 0.000 0.202 174 Q C -0.142 175.693 176.000 -0.275 0.000 0.963 174 Q CA 0.907 56.571 55.803 -0.232 0.000 0.866 174 Q CB 0.312 28.874 28.738 -0.293 0.000 0.931 174 Q HN 0.299 nan 8.270 nan 0.000 0.452 175 N N 0.258 118.744 118.700 -0.358 0.000 2.791 175 N HA 0.155 4.895 4.740 -0.000 0.000 0.265 175 N C -2.410 173.015 175.510 -0.141 0.000 1.580 175 N CA -0.917 51.962 53.050 -0.286 0.000 0.809 175 N CB 1.491 39.696 38.487 -0.469 0.000 1.178 175 N HN 0.120 nan 8.380 nan 0.000 0.499 176 P HA -0.121 nan 4.420 nan 0.000 0.230 176 P C 0.726 178.022 177.300 -0.007 0.000 1.158 176 P CA 0.949 64.030 63.100 -0.031 0.000 0.769 176 P CB 0.584 32.267 31.700 -0.029 0.000 0.807 177 D N -0.459 119.934 120.400 -0.012 0.000 2.277 177 D HA -0.026 4.614 4.640 -0.000 0.000 0.208 177 D C 0.375 176.701 176.300 0.042 0.000 0.962 177 D CA 0.269 54.276 54.000 0.011 0.000 0.865 177 D CB 0.178 40.982 40.800 0.006 0.000 0.939 177 D HN 0.030 nan 8.370 nan 0.000 0.510 178 I N 2.778 123.384 120.570 0.059 0.000 2.312 178 I HA 0.080 4.250 4.170 -0.000 0.000 0.291 178 I C 0.527 176.720 176.117 0.128 0.000 1.031 178 I CA -0.695 60.681 61.300 0.127 0.000 1.293 178 I CB 0.892 39.023 38.000 0.218 0.000 1.403 178 I HN -0.212 nan 8.210 nan 0.000 0.484 179 V N 7.852 127.831 119.914 0.108 0.000 2.465 179 V HA 0.598 4.718 4.120 -0.000 0.000 0.279 179 V C -0.272 175.887 176.094 0.109 0.000 1.045 179 V CA -0.275 62.078 62.300 0.089 0.000 0.938 179 V CB 1.448 33.298 31.823 0.044 0.000 0.986 179 V HN 0.513 nan 8.190 nan 0.000 0.467 180 I N 7.131 127.767 120.570 0.109 0.000 2.468 180 I HA 0.356 4.526 4.170 -0.000 0.000 0.284 180 I C -1.382 174.803 176.117 0.113 0.000 1.038 180 I CA -0.587 60.773 61.300 0.100 0.000 1.083 180 I CB 1.711 39.752 38.000 0.068 0.000 1.223 180 I HN 0.805 nan 8.210 nan 0.000 0.443 181 Y N 6.845 127.153 120.300 0.014 0.000 2.328 181 Y HA 0.416 4.966 4.550 -0.000 0.000 0.337 181 Y C -0.414 175.538 175.900 0.086 0.000 1.008 181 Y CA -0.713 57.385 58.100 -0.004 0.000 1.129 181 Y CB 1.228 39.607 38.460 -0.135 0.000 1.185 181 Y HN 0.518 nan 8.280 nan 0.000 0.476 182 Q N 5.977 125.390 119.800 -0.646 0.000 2.372 182 Q HA 0.293 4.633 4.340 -0.000 0.000 0.259 182 Q C -1.907 173.790 176.000 -0.506 0.000 0.993 182 Q CA -0.864 54.690 55.803 -0.415 0.000 0.854 182 Q CB 1.727 30.333 28.738 -0.220 0.000 1.231 182 Q HN 0.725 nan 8.270 nan 0.000 0.462 183 Y N 5.528 125.656 120.300 -0.285 0.000 2.376 183 Y HA 0.380 4.930 4.550 -0.000 0.000 0.326 183 Y C 0.081 176.049 175.900 0.112 0.000 0.970 183 Y CA -0.731 57.363 58.100 -0.010 0.000 1.248 183 Y CB 0.465 39.150 38.460 0.374 0.000 1.117 183 Y HN 0.971 nan 8.280 nan 0.000 0.476 184 M N 1.347 120.768 119.600 -0.299 0.000 7.319 184 M HA -0.367 4.113 4.480 -0.000 0.000 0.235 184 M C 0.281 176.574 176.300 -0.012 0.000 0.480 184 M CA 2.055 57.215 55.300 -0.234 0.000 1.311 184 M CB -0.720 31.596 32.600 -0.473 0.000 0.421 184 M HN 0.732 nan 8.290 nan 0.000 0.637 185 D N 0.409 120.741 120.400 -0.114 0.000 2.413 185 D HA 0.275 4.915 4.640 -0.000 0.000 0.237 185 D C -0.618 175.680 176.300 -0.003 0.000 1.171 185 D CA 0.248 54.209 54.000 -0.065 0.000 0.839 185 D CB -0.290 40.330 40.800 -0.301 0.000 0.950 185 D HN 0.266 nan 8.370 nan 0.000 0.499 186 D N -0.179 120.243 120.400 0.036 0.000 2.340 186 D HA 0.488 5.128 4.640 -0.000 0.000 0.240 186 D C -0.966 175.336 176.300 0.004 0.000 1.001 186 D CA -0.621 53.389 54.000 0.018 0.000 0.888 186 D CB 1.843 42.706 40.800 0.104 0.000 1.310 186 D HN -0.066 nan 8.370 nan 0.000 0.474 187 L N 2.254 123.407 121.223 -0.116 0.000 2.404 187 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 187 L C -1.312 175.446 176.870 -0.187 0.000 0.980 187 L CA -0.596 54.189 54.840 -0.092 0.000 0.836 187 L CB 1.070 43.070 42.059 -0.099 0.000 1.238 187 L HN 0.281 nan 8.230 nan 0.000 0.408 188 Y N 3.339 123.608 120.300 -0.051 0.000 2.367 188 Y HA 0.545 5.095 4.550 -0.000 0.000 0.342 188 Y C 0.072 175.960 175.900 -0.021 0.000 0.979 188 Y CA -0.615 57.437 58.100 -0.079 0.000 1.161 188 Y CB 1.437 39.772 38.460 -0.208 0.000 1.155 188 Y HN 0.196 nan 8.280 nan 0.000 0.503 189 V N 3.627 123.608 119.914 0.112 0.000 2.384 189 V HA 0.793 4.913 4.120 -0.000 0.000 0.287 189 V C 0.244 176.470 176.094 0.219 0.000 1.020 189 V CA -0.646 61.732 62.300 0.131 0.000 0.850 189 V CB 1.456 33.316 31.823 0.062 0.000 0.987 189 V HN 0.894 nan 8.190 nan 0.000 0.436 190 G N 2.974 111.884 108.800 0.183 0.000 2.524 190 G HA2 0.794 4.754 3.960 -0.000 0.000 0.310 190 G HA3 0.794 4.754 3.960 -0.000 0.000 0.310 190 G C -0.702 174.292 174.900 0.157 0.000 1.279 190 G CA -0.214 44.983 45.100 0.161 0.000 0.974 190 G HN 0.920 nan 8.290 nan 0.000 0.484 191 S N -0.556 115.216 115.700 0.120 0.000 2.671 191 S HA 0.544 5.014 4.470 -0.000 0.000 0.277 191 S C -0.892 173.727 174.600 0.032 0.000 1.165 191 S CA -0.785 57.484 58.200 0.115 0.000 0.822 191 S CB 2.380 65.730 63.200 0.251 0.000 1.150 191 S HN 0.317 nan 8.310 nan 0.000 0.479 192 D N 0.545 120.968 120.400 0.038 0.000 2.368 192 D HA 0.348 4.988 4.640 -0.000 0.000 0.218 192 D C 0.501 176.815 176.300 0.023 0.000 1.112 192 D CA 0.015 54.024 54.000 0.015 0.000 0.834 192 D CB 0.087 40.894 40.800 0.012 0.000 0.953 192 D HN 0.390 nan 8.370 nan 0.000 0.505 193 L N 0.456 121.710 121.223 0.051 0.000 2.505 193 L HA 0.151 4.491 4.340 -0.000 0.000 0.226 193 L C 1.042 177.942 176.870 0.049 0.000 1.211 193 L CA -0.395 54.486 54.840 0.069 0.000 0.828 193 L CB 0.495 42.632 42.059 0.130 0.000 1.331 193 L HN -0.215 nan 8.230 nan 0.000 0.513 194 E N 0.374 120.615 120.200 0.069 0.000 2.231 194 E HA 0.132 4.482 4.350 -0.000 0.000 0.277 194 E C 0.857 177.518 176.600 0.100 0.000 0.999 194 E CA -0.210 56.225 56.400 0.058 0.000 0.827 194 E CB 1.815 31.545 29.700 0.050 0.000 1.101 194 E HN 0.467 nan 8.360 nan 0.000 0.393 195 I N 2.293 122.908 120.570 0.075 0.000 2.358 195 I HA -0.341 3.829 4.170 -0.000 0.000 0.257 195 I C 1.679 177.886 176.117 0.149 0.000 1.123 195 I CA 1.893 63.263 61.300 0.118 0.000 1.393 195 I CB 0.096 38.138 38.000 0.071 0.000 1.073 195 I HN 0.639 nan 8.210 nan 0.000 0.437 196 G N -0.718 108.144 108.800 0.104 0.000 2.454 196 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.214 196 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.214 196 G C 1.383 176.342 174.900 0.098 0.000 1.217 196 G CA 0.394 45.547 45.100 0.087 0.000 0.799 196 G HN 0.456 nan 8.290 nan 0.000 0.538 197 Q N -0.618 119.241 119.800 0.098 0.000 2.437 197 Q HA -0.060 4.280 4.340 -0.000 0.000 0.210 197 Q C 2.073 178.148 176.000 0.126 0.000 0.972 197 Q CA 0.932 56.790 55.803 0.092 0.000 0.903 197 Q CB -0.058 28.727 28.738 0.077 0.000 0.967 197 Q HN 0.717 nan 8.270 nan 0.000 0.486 198 H N 1.097 120.203 119.070 0.060 0.000 2.268 198 H HA 0.028 4.584 4.556 -0.000 0.000 0.304 198 H C 1.776 177.155 175.328 0.085 0.000 1.064 198 H CA 1.579 57.670 56.048 0.072 0.000 1.316 198 H CB 0.235 30.039 29.762 0.069 0.000 1.386 198 H HN -0.024 nan 8.280 nan 0.000 0.496 199 R N -0.528 119.993 120.500 0.034 0.000 2.159 199 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 199 R C 2.208 178.518 176.300 0.016 0.000 1.131 199 R CA 1.611 57.717 56.100 0.010 0.000 0.982 199 R CB -0.273 30.088 30.300 0.102 0.000 0.868 199 R HN 0.366 nan 8.270 nan 0.000 0.453 200 T N 0.822 115.396 114.554 0.034 0.000 2.701 200 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 200 T C 1.696 176.423 174.700 0.045 0.000 1.040 200 T CA 1.323 63.449 62.100 0.044 0.000 1.147 200 T CB -0.102 68.796 68.868 0.050 0.000 0.865 200 T HN 0.052 nan 8.240 nan 0.000 0.426 201 K N 0.928 121.350 120.400 0.036 0.000 2.063 201 K HA -0.008 4.312 4.320 -0.000 0.000 0.208 201 K C 2.050 178.696 176.600 0.078 0.000 1.048 201 K CA 0.898 57.237 56.287 0.087 0.000 0.928 201 K CB -0.676 31.875 32.500 0.086 0.000 0.713 201 K HN 0.187 nan 8.250 nan 0.000 0.442 202 I N 1.349 121.878 120.570 -0.069 0.000 2.118 202 I HA -0.263 3.907 4.170 -0.000 0.000 0.241 202 I C 2.063 178.157 176.117 -0.038 0.000 1.070 202 I CA 1.521 62.749 61.300 -0.120 0.000 1.327 202 I CB -1.050 36.835 38.000 -0.192 0.000 1.034 202 I HN 0.298 nan 8.210 nan 0.000 0.405 203 E N 0.455 120.671 120.200 0.026 0.000 2.085 203 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 203 E C 2.044 178.687 176.600 0.071 0.000 0.994 203 E CA 1.195 57.629 56.400 0.057 0.000 0.801 203 E CB -0.276 29.465 29.700 0.068 0.000 0.743 203 E HN 0.544 nan 8.360 nan 0.000 0.453 204 E N 0.288 120.552 120.200 0.107 0.000 2.130 204 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 204 E C 2.201 178.927 176.600 0.211 0.000 0.998 204 E CA 0.999 57.506 56.400 0.177 0.000 0.806 204 E CB -0.088 29.748 29.700 0.227 0.000 0.738 204 E HN 0.104 nan 8.360 nan 0.000 0.459 205 L N 1.089 122.362 121.223 0.082 0.000 2.005 205 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 205 L C 2.344 179.148 176.870 -0.109 0.000 1.072 205 L CA 1.641 56.322 54.840 -0.264 0.000 0.744 205 L CB -0.285 41.433 42.059 -0.569 0.000 0.895 205 L HN -0.011 nan 8.230 nan 0.000 0.433 206 R N -0.917 119.546 120.500 -0.062 0.000 2.139 206 R HA -0.189 4.151 4.340 -0.000 0.000 0.243 206 R C 2.250 178.575 176.300 0.040 0.000 1.145 206 R CA 1.357 57.447 56.100 -0.017 0.000 0.976 206 R CB -0.428 29.882 30.300 0.015 0.000 0.866 206 R HN 0.492 nan 8.270 nan 0.000 0.449 207 Q N -0.180 119.668 119.800 0.079 0.000 2.016 207 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 207 Q C 2.047 178.155 176.000 0.179 0.000 0.978 207 Q CA 1.581 57.452 55.803 0.113 0.000 0.833 207 Q CB -0.632 28.178 28.738 0.119 0.000 0.895 207 Q HN 0.425 nan 8.270 nan 0.000 0.427 208 H N 0.766 119.904 119.070 0.113 0.000 2.353 208 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 208 H C 2.013 177.500 175.328 0.265 0.000 1.103 208 H CA 1.664 57.834 56.048 0.203 0.000 1.293 208 H CB -0.358 29.541 29.762 0.228 0.000 1.372 208 H HN 0.117 nan 8.280 nan 0.000 0.501 209 L N -0.647 120.609 121.223 0.055 0.000 2.056 209 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 209 L C 2.792 179.721 176.870 0.097 0.000 1.078 209 L CA 0.944 55.789 54.840 0.008 0.000 0.749 209 L CB -0.414 41.622 42.059 -0.038 0.000 0.901 209 L HN 0.281 nan 8.230 nan 0.000 0.433 210 L N -0.344 120.926 121.223 0.078 0.000 2.012 210 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 210 L C 2.720 179.610 176.870 0.034 0.000 1.073 210 L CA 1.343 56.220 54.840 0.061 0.000 0.748 210 L CB -0.263 41.825 42.059 0.049 0.000 0.891 210 L HN 0.215 nan 8.230 nan 0.000 0.431 211 R N -1.419 119.087 120.500 0.010 0.000 2.371 211 R HA -0.208 4.132 4.340 -0.000 0.000 0.226 211 R C 0.794 176.861 176.300 -0.388 0.000 1.132 211 R CA 1.319 57.321 56.100 -0.163 0.000 1.027 211 R CB -0.214 29.994 30.300 -0.154 0.000 0.848 211 R HN 0.465 nan 8.270 nan 0.000 0.479 212 W N -0.970 120.309 121.300 -0.035 0.000 2.653 212 W HA 0.287 4.947 4.660 -0.000 0.000 0.391 212 W C 0.940 177.451 176.519 -0.013 0.000 0.962 212 W CA 0.234 57.552 57.345 -0.045 0.000 1.900 212 W CB 1.022 30.406 29.460 -0.127 0.000 1.176 212 W HN 0.156 nan 8.180 nan 0.000 0.582 213 G N 0.872 109.761 108.800 0.149 0.000 2.159 213 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 213 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 213 G C -0.183 174.799 174.900 0.136 0.000 0.977 213 G CA -0.152 45.026 45.100 0.131 0.000 0.652 213 G HN 0.155 nan 8.290 nan 0.000 0.531 214 L N 1.666 122.968 121.223 0.131 0.000 2.276 214 L HA 0.558 4.897 4.340 -0.000 0.000 0.286 214 L C 0.719 177.636 176.870 0.078 0.000 1.024 214 L CA -0.480 54.428 54.840 0.113 0.000 0.826 214 L CB 1.808 43.928 42.059 0.102 0.000 1.211 214 L HN 0.188 nan 8.230 nan 0.000 0.422 215 T N 1.471 116.070 114.554 0.074 0.000 2.869 215 T HA 0.395 4.745 4.350 -0.000 0.000 0.295 215 T C -0.134 174.593 174.700 0.045 0.000 0.987 215 T CA -0.092 62.042 62.100 0.057 0.000 1.109 215 T CB 1.039 69.941 68.868 0.057 0.000 0.932 215 T HN 0.692 nan 8.240 nan 0.000 0.518 216 T N 4.361 118.939 114.554 0.041 0.000 2.903 216 T HA 0.652 5.002 4.350 -0.000 0.000 0.299 216 T C -2.719 172.020 174.700 0.066 0.000 1.093 216 T CA -1.607 60.515 62.100 0.036 0.000 1.002 216 T CB 1.188 70.060 68.868 0.006 0.000 1.127 216 T HN 0.490 nan 8.240 nan 0.000 0.488 217 P HA 0.121 nan 4.420 nan 0.000 0.272 217 P C 0.094 177.501 177.300 0.178 0.000 1.225 217 P CA 0.087 63.267 63.100 0.134 0.000 0.800 217 P CB 0.462 32.274 31.700 0.186 0.000 0.894 218 D N 0.278 120.718 120.400 0.067 0.000 2.995 218 D HA -0.037 4.603 4.640 -0.000 0.000 0.289 218 D C 0.971 177.080 176.300 -0.320 0.000 1.116 218 D CA 0.689 54.670 54.000 -0.032 0.000 0.994 218 D CB 0.409 41.195 40.800 -0.022 0.000 1.209 218 D HN 0.292 nan 8.370 nan 0.000 0.458 219 K N -0.064 120.178 120.400 -0.262 0.000 2.517 219 K HA 0.131 4.451 4.320 -0.000 0.000 0.210 219 K C 0.451 176.934 176.600 -0.194 0.000 1.166 219 K CA -0.082 56.015 56.287 -0.316 0.000 1.030 219 K CB 0.292 32.697 32.500 -0.158 0.000 0.974 219 K HN -0.157 nan 8.250 nan 0.000 0.585 220 K N 1.534 121.880 120.400 -0.090 0.000 2.596 220 K HA 0.153 4.473 4.320 -0.000 0.000 0.211 220 K C 0.562 177.221 176.600 0.099 0.000 1.046 220 K CA -0.088 56.203 56.287 0.006 0.000 1.202 220 K CB -0.661 31.851 32.500 0.020 0.000 0.925 220 K HN 0.418 nan 8.250 nan 0.000 0.486 221 H N 0.834 119.904 119.070 0.001 0.000 2.518 221 H HA -0.197 4.359 4.556 -0.000 0.000 0.294 221 H C 1.168 176.499 175.328 0.005 0.000 1.083 221 H CA 0.801 56.852 56.048 0.005 0.000 1.264 221 H CB 0.220 29.990 29.762 0.013 0.000 1.370 221 H HN 0.378 nan 8.280 nan 0.000 0.560 222 Q N 0.350 120.215 119.800 0.109 0.000 2.196 222 Q HA -0.399 3.941 4.340 -0.000 0.000 0.191 222 Q C 1.494 177.462 176.000 -0.054 0.000 0.656 222 Q CA 1.863 57.687 55.803 0.035 0.000 1.453 222 Q CB -0.718 28.060 28.738 0.067 0.000 1.707 222 Q HN 0.698 nan 8.270 nan 0.000 0.731 223 K N 1.012 121.417 120.400 0.008 0.000 1.976 223 K HA -0.270 4.050 4.320 -0.000 0.000 0.233 223 K C 0.443 176.816 176.600 -0.380 0.000 1.012 223 K CA 1.783 58.024 56.287 -0.076 0.000 1.049 223 K CB -0.824 31.729 32.500 0.089 0.000 0.722 223 K HN 0.404 nan 8.250 nan 0.000 0.465 224 E N 2.319 122.406 120.200 -0.189 0.000 1.325 224 E HA -0.162 4.188 4.350 -0.000 0.000 0.182 224 E C -2.001 174.385 176.600 -0.356 0.000 0.989 224 E CA -0.527 55.753 56.400 -0.200 0.000 0.491 224 E CB -0.590 29.035 29.700 -0.126 0.000 1.032 224 E HN 0.239 nan 8.360 nan 0.000 0.254 225 P HA 0.043 nan 4.420 nan 0.000 0.267 225 P C -2.245 174.894 177.300 -0.269 0.000 1.200 225 P CA -0.711 62.163 63.100 -0.377 0.000 0.772 225 P CB 0.225 31.890 31.700 -0.057 0.000 0.855 226 P HA -0.071 nan 4.420 nan 0.000 0.275 226 P C -0.916 176.330 177.300 -0.090 0.000 1.227 226 P CA 0.992 63.956 63.100 -0.228 0.000 0.808 226 P CB 0.155 31.770 31.700 -0.143 0.000 0.858 227 F N -0.345 119.700 119.950 0.157 0.000 2.991 227 F HA 0.278 4.805 4.527 -0.000 0.000 0.355 227 F C -0.645 175.349 175.800 0.323 0.000 1.262 227 F CA -0.403 57.750 58.000 0.256 0.000 1.127 227 F CB 0.770 39.951 39.000 0.302 0.000 1.447 227 F HN -0.010 nan 8.300 nan 0.000 0.584 228 L N 3.402 124.929 121.223 0.508 0.000 2.283 228 L HA 0.284 4.624 4.340 -0.000 0.000 0.287 228 L C -1.091 176.073 176.870 0.491 0.000 1.073 228 L CA -0.262 54.828 54.840 0.416 0.000 0.822 228 L CB 0.774 42.996 42.059 0.272 0.000 1.186 228 L HN 0.677 nan 8.230 nan 0.000 0.436 229 W N 6.395 127.839 121.300 0.241 0.000 3.097 229 W HA 0.371 5.031 4.660 -0.000 0.000 0.335 229 W C 0.079 176.660 176.519 0.104 0.000 1.114 229 W CA -0.757 56.671 57.345 0.140 0.000 1.231 229 W CB 1.273 30.740 29.460 0.012 0.000 1.388 229 W HN 0.367 nan 8.180 nan 0.000 0.485 230 M N 5.214 124.344 119.600 -0.784 0.000 2.375 230 M HA -0.238 4.242 4.480 -0.000 0.000 0.197 230 M C 1.128 177.063 176.300 -0.607 0.000 0.414 230 M CA 2.092 56.858 55.300 -0.891 0.000 0.442 230 M CB -2.193 29.442 32.600 -1.608 0.000 1.527 230 M HN 1.527 nan 8.290 nan 0.000 0.864 231 G N -1.992 106.583 108.800 -0.376 0.000 2.175 231 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 231 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 231 G C -0.300 174.578 174.900 -0.037 0.000 0.982 231 G CA 0.305 45.187 45.100 -0.363 0.000 0.641 231 G HN 0.528 nan 8.290 nan 0.000 0.527 232 Y N -0.036 120.446 120.300 0.303 0.000 2.567 232 Y HA 0.716 5.266 4.550 -0.000 0.000 0.333 232 Y C 0.494 176.637 175.900 0.405 0.000 1.106 232 Y CA -1.305 57.040 58.100 0.409 0.000 1.157 232 Y CB 1.411 40.110 38.460 0.398 0.000 1.277 232 Y HN 0.110 nan 8.280 nan 0.000 0.490 233 E N 1.850 122.437 120.200 0.645 0.000 2.235 233 E HA 0.393 4.743 4.350 -0.000 0.000 0.252 233 E C -1.939 175.068 176.600 0.680 0.000 0.886 233 E CA -0.667 56.077 56.400 0.574 0.000 0.767 233 E CB 0.609 30.608 29.700 0.499 0.000 1.205 233 E HN 0.388 nan 8.360 nan 0.000 0.421 234 L N 4.601 126.224 121.223 0.666 0.000 2.307 234 L HA 0.425 4.765 4.340 -0.000 0.000 0.282 234 L C 0.028 177.342 176.870 0.739 0.000 1.051 234 L CA -0.366 54.878 54.840 0.673 0.000 0.804 234 L CB 0.855 43.188 42.059 0.455 0.000 1.197 234 L HN 0.594 nan 8.230 nan 0.000 0.431 235 H N 3.858 123.186 119.070 0.430 0.000 2.679 235 H HA 0.288 4.844 4.556 -0.000 0.000 0.367 235 H C -1.642 173.931 175.328 0.408 0.000 1.162 235 H CA -1.719 54.528 56.048 0.332 0.000 1.181 235 H CB 2.406 32.289 29.762 0.203 0.000 1.693 235 H HN 0.361 nan 8.280 nan 0.000 0.538 236 P HA -0.172 nan 4.420 nan 0.000 0.222 236 P C 0.581 178.124 177.300 0.405 0.000 1.147 236 P CA 1.350 64.635 63.100 0.309 0.000 0.790 236 P CB 0.603 32.404 31.700 0.168 0.000 0.780 237 D N -0.042 120.585 120.400 0.378 0.000 2.202 237 D HA -0.005 4.635 4.640 -0.000 0.000 0.214 237 D C 1.345 177.762 176.300 0.194 0.000 0.967 237 D CA 1.131 55.292 54.000 0.269 0.000 0.871 237 D CB 0.302 41.176 40.800 0.125 0.000 1.020 237 D HN 0.333 nan 8.370 nan 0.000 0.474 238 K N -1.940 118.461 120.400 0.003 0.000 1.961 238 K HA 0.468 4.788 4.320 -0.000 0.000 0.247 238 K C -0.882 175.537 176.600 -0.302 0.000 0.976 238 K CA -1.006 55.047 56.287 -0.390 0.000 0.828 238 K CB 1.606 33.904 32.500 -0.336 0.000 1.585 238 K HN 0.168 nan 8.250 nan 0.000 0.537 239 W N -0.875 120.219 121.300 -0.343 0.000 3.057 239 W HA 0.578 5.238 4.660 -0.000 0.000 0.328 239 W C -1.846 174.658 176.519 -0.025 0.000 1.232 239 W CA -0.588 56.696 57.345 -0.102 0.000 1.187 239 W CB 0.846 30.234 29.460 -0.120 0.000 1.417 239 W HN 0.845 nan 8.180 nan 0.000 0.569 240 T N -0.099 114.563 114.554 0.181 0.000 2.661 240 T HA 0.530 4.880 4.350 -0.000 0.000 0.305 240 T C -1.184 173.769 174.700 0.423 0.000 1.441 240 T CA 0.043 62.061 62.100 -0.136 0.000 0.999 240 T CB 0.888 69.511 68.868 -0.408 0.000 1.650 240 T HN 1.016 nan 8.240 nan 0.000 0.489 241 V N 1.256 121.359 119.914 0.314 0.000 2.863 241 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 241 V C 0.565 176.869 176.094 0.350 0.000 1.061 241 V CA -1.030 61.537 62.300 0.446 0.000 1.024 241 V CB 1.012 33.057 31.823 0.370 0.000 1.049 241 V HN 0.849 nan 8.190 nan 0.000 0.471 242 Q N 1.294 121.298 119.800 0.340 0.000 2.354 242 Q HA 0.125 4.465 4.340 -0.000 0.000 0.310 242 Q C -2.295 173.816 176.000 0.186 0.000 1.104 242 Q CA -0.750 55.186 55.803 0.222 0.000 0.968 242 Q CB -0.226 28.585 28.738 0.121 0.000 1.251 242 Q HN 0.587 nan 8.270 nan 0.000 0.411 243 P HA 0.010 nan 4.420 nan 0.000 0.263 243 P C -0.508 176.835 177.300 0.071 0.000 1.195 243 P CA 0.342 63.504 63.100 0.104 0.000 0.762 243 P CB 0.378 32.133 31.700 0.090 0.000 0.799 244 I N 3.880 124.477 120.570 0.045 0.000 2.428 244 I HA 0.388 4.558 4.170 -0.000 0.000 0.296 244 I C 0.281 176.396 176.117 -0.003 0.000 0.985 244 I CA -0.541 60.768 61.300 0.014 0.000 1.260 244 I CB 1.535 39.515 38.000 -0.033 0.000 1.389 244 I HN 0.091 nan 8.210 nan 0.000 0.484 245 V N 7.416 127.333 119.914 0.006 0.000 2.532 245 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 245 V C -0.657 175.454 176.094 0.028 0.000 1.036 245 V CA -0.566 61.740 62.300 0.011 0.000 0.876 245 V CB 1.775 33.607 31.823 0.015 0.000 1.012 245 V HN 0.502 nan 8.190 nan 0.000 0.432 246 L N 9.249 130.493 121.223 0.035 0.000 2.342 246 L HA 0.332 4.672 4.340 -0.000 0.000 0.285 246 L C -0.934 176.010 176.870 0.124 0.000 1.095 246 L CA -1.333 53.560 54.840 0.088 0.000 0.843 246 L CB 0.743 42.844 42.059 0.069 0.000 1.201 246 L HN 0.496 nan 8.230 nan 0.000 0.445 247 P HA -0.310 nan 4.420 nan 0.000 0.227 247 P C 0.105 177.419 177.300 0.024 0.000 1.141 247 P CA 1.378 64.506 63.100 0.047 0.000 0.964 247 P CB 0.062 31.754 31.700 -0.013 0.000 0.784 248 E N -1.431 118.851 120.200 0.137 0.000 4.220 248 E HA -0.202 4.148 4.350 -0.000 0.000 0.160 248 E C -0.684 175.879 176.600 -0.062 0.000 1.630 248 E CA 0.311 56.780 56.400 0.116 0.000 0.960 248 E CB -1.083 28.656 29.700 0.066 0.000 1.061 248 E HN 0.450 nan 8.360 nan 0.000 0.360 249 K N 1.967 122.250 120.400 -0.194 0.000 2.509 249 K HA 0.476 4.796 4.320 -0.000 0.000 0.266 249 K C -0.070 176.366 176.600 -0.275 0.000 0.987 249 K CA -0.887 55.180 56.287 -0.366 0.000 0.868 249 K CB 1.142 33.226 32.500 -0.692 0.000 1.421 249 K HN -0.118 nan 8.250 nan 0.000 0.444 250 D N 0.947 121.221 120.400 -0.210 0.000 2.081 250 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 250 D C 0.271 176.516 176.300 -0.091 0.000 0.986 250 D CA 1.653 55.595 54.000 -0.096 0.000 0.837 250 D CB -0.157 40.597 40.800 -0.076 0.000 0.985 250 D HN 0.628 nan 8.370 nan 0.000 0.448 251 S N -0.771 114.819 115.700 -0.183 0.000 2.509 251 S HA 0.525 4.995 4.470 -0.000 0.000 0.297 251 S C -1.018 173.426 174.600 -0.259 0.000 1.118 251 S CA -0.937 57.206 58.200 -0.096 0.000 1.074 251 S CB 1.192 64.365 63.200 -0.045 0.000 1.038 251 S HN 0.137 nan 8.310 nan 0.000 0.498 252 W N 1.651 122.943 121.300 -0.014 0.000 2.475 252 W HA 0.519 5.179 4.660 -0.000 0.000 0.317 252 W C 0.666 177.177 176.519 -0.014 0.000 1.046 252 W CA -0.563 56.774 57.345 -0.015 0.000 1.215 252 W CB 1.477 30.928 29.460 -0.016 0.000 1.335 252 W HN 0.832 nan 8.180 nan 0.000 0.471 253 T N -1.328 113.317 114.554 0.151 0.000 2.918 253 T HA 0.251 4.601 4.350 -0.000 0.000 0.283 253 T C 0.931 175.702 174.700 0.119 0.000 1.001 253 T CA -0.730 61.428 62.100 0.096 0.000 1.041 253 T CB 1.392 70.283 68.868 0.037 0.000 1.028 253 T HN 0.236 nan 8.240 nan 0.000 0.511 254 V N 2.138 122.097 119.914 0.076 0.000 2.278 254 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 254 V C 2.884 179.014 176.094 0.061 0.000 1.062 254 V CA 2.596 64.932 62.300 0.059 0.000 1.038 254 V CB -1.364 30.480 31.823 0.034 0.000 0.646 254 V HN 1.023 nan 8.190 nan 0.000 0.447 255 N N 0.186 118.917 118.700 0.051 0.000 2.104 255 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 255 N C 1.516 177.069 175.510 0.071 0.000 1.024 255 N CA 1.848 54.923 53.050 0.042 0.000 0.853 255 N CB -0.286 38.214 38.487 0.022 0.000 1.008 255 N HN 0.481 nan 8.380 nan 0.000 0.424 256 D N -0.029 120.439 120.400 0.114 0.000 2.097 256 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 256 D C 1.955 178.414 176.300 0.265 0.000 0.984 256 D CA 0.676 54.798 54.000 0.204 0.000 0.826 256 D CB -0.163 40.794 40.800 0.261 0.000 0.973 256 D HN 0.271 nan 8.370 nan 0.000 0.460 257 I N 1.203 121.902 120.570 0.216 0.000 2.163 257 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 257 I C 2.406 178.547 176.117 0.039 0.000 1.085 257 I CA 1.187 62.535 61.300 0.081 0.000 1.347 257 I CB -1.236 36.776 38.000 0.020 0.000 1.044 257 I HN 0.114 nan 8.210 nan 0.000 0.408 258 Q N 0.611 120.437 119.800 0.043 0.000 2.077 258 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 258 Q C 2.292 178.308 176.000 0.026 0.000 0.989 258 Q CA 1.981 57.798 55.803 0.023 0.000 0.853 258 Q CB -0.123 28.626 28.738 0.019 0.000 0.907 258 Q HN 0.354 nan 8.270 nan 0.000 0.418 259 K N 0.576 121.002 120.400 0.043 0.000 2.032 259 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 259 K C 1.904 178.530 176.600 0.044 0.000 1.048 259 K CA 0.999 57.308 56.287 0.037 0.000 0.927 259 K CB -0.321 32.209 32.500 0.049 0.000 0.712 259 K HN 0.150 nan 8.250 nan 0.000 0.441 260 L N 0.251 121.513 121.223 0.066 0.000 1.970 260 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 260 L C 1.997 178.867 176.870 -0.001 0.000 1.071 260 L CA 1.440 56.301 54.840 0.036 0.000 0.751 260 L CB -0.310 41.740 42.059 -0.014 0.000 0.889 260 L HN 0.043 nan 8.230 nan 0.000 0.432 261 V N 0.050 119.955 119.914 -0.015 0.000 2.380 261 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 261 V C 2.575 178.679 176.094 0.018 0.000 1.063 261 V CA 1.928 64.219 62.300 -0.014 0.000 1.055 261 V CB -1.333 30.479 31.823 -0.019 0.000 0.657 261 V HN 0.680 nan 8.190 nan 0.000 0.455 262 G N -0.262 108.553 108.800 0.026 0.000 2.408 262 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 262 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 262 G C 1.640 176.591 174.900 0.085 0.000 1.150 262 G CA 0.547 45.674 45.100 0.044 0.000 0.776 262 G HN 0.450 nan 8.290 nan 0.000 0.542 263 K N 0.238 120.677 120.400 0.066 0.000 2.062 263 K HA 0.100 4.420 4.320 -0.000 0.000 0.205 263 K C 2.531 179.206 176.600 0.125 0.000 1.051 263 K CA 0.511 56.860 56.287 0.103 0.000 0.941 263 K CB -0.483 32.049 32.500 0.053 0.000 0.719 263 K HN 0.315 nan 8.250 nan 0.000 0.440 264 L N 1.564 122.818 121.223 0.052 0.000 2.083 264 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 264 L C 2.011 178.907 176.870 0.044 0.000 1.083 264 L CA 0.929 55.778 54.840 0.015 0.000 0.752 264 L CB -0.524 41.520 42.059 -0.026 0.000 0.899 264 L HN 0.173 nan 8.230 nan 0.000 0.433 265 N N -0.785 117.961 118.700 0.076 0.000 2.309 265 N HA -0.210 4.530 4.740 -0.000 0.000 0.182 265 N C 1.512 177.096 175.510 0.122 0.000 1.018 265 N CA 0.964 54.065 53.050 0.084 0.000 0.876 265 N CB -0.131 38.412 38.487 0.094 0.000 0.972 265 N HN 0.526 nan 8.380 nan 0.000 0.434 266 W N 1.499 122.803 121.300 0.007 0.000 2.576 266 W HA 0.091 4.751 4.660 -0.000 0.000 0.270 266 W C 1.660 178.221 176.519 0.069 0.000 1.255 266 W CA 0.932 58.285 57.345 0.014 0.000 1.314 266 W CB 0.116 29.554 29.460 -0.036 0.000 1.101 266 W HN -0.012 nan 8.180 nan 0.000 0.595 267 A N 0.724 123.568 122.820 0.041 0.000 1.968 267 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 267 A C 1.962 179.584 177.584 0.062 0.000 1.169 267 A CA 1.799 53.858 52.037 0.038 0.000 0.638 267 A CB -1.177 17.798 19.000 -0.041 0.000 0.812 267 A HN 0.286 nan 8.150 nan 0.000 0.446 268 S N 0.095 115.801 115.700 0.010 0.000 2.528 268 S HA -0.243 4.227 4.470 -0.000 0.000 0.244 268 S C 1.540 176.128 174.600 -0.021 0.000 0.982 268 S CA 1.352 59.556 58.200 0.006 0.000 0.953 268 S CB -0.600 62.594 63.200 -0.010 0.000 0.754 268 S HN 0.724 nan 8.310 nan 0.000 0.529 269 Q N -0.451 119.332 119.800 -0.028 0.000 2.297 269 Q HA 0.197 4.537 4.340 -0.000 0.000 0.204 269 Q C 1.600 177.677 176.000 0.129 0.000 0.962 269 Q CA 1.076 56.911 55.803 0.053 0.000 0.879 269 Q CB -0.091 28.721 28.738 0.122 0.000 0.947 269 Q HN 0.650 nan 8.270 nan 0.000 0.462 270 I N -2.302 118.287 120.570 0.032 0.000 4.916 270 I HA 0.067 4.237 4.170 -0.000 0.000 0.335 270 I C -0.810 175.154 176.117 -0.255 0.000 1.274 270 I CA -0.139 61.062 61.300 -0.165 0.000 1.365 270 I CB 0.978 38.681 38.000 -0.495 0.000 1.395 270 I HN -0.110 nan 8.210 nan 0.000 0.485 271 Y N 5.116 125.343 120.300 -0.122 0.000 2.535 271 Y HA 0.421 4.971 4.550 -0.000 0.000 0.349 271 Y C -2.096 173.747 175.900 -0.095 0.000 0.992 271 Y CA -2.607 55.427 58.100 -0.110 0.000 1.248 271 Y CB 0.202 38.605 38.460 -0.095 0.000 1.124 271 Y HN 0.066 nan 8.280 nan 0.000 0.520 272 P HA 0.138 nan 4.420 nan 0.000 0.271 272 P C 0.740 178.042 177.300 0.003 0.000 1.216 272 P CA 0.732 63.822 63.100 -0.017 0.000 0.771 272 P CB 1.585 33.259 31.700 -0.044 0.000 0.864 273 G N 2.861 111.653 108.800 -0.014 0.000 2.194 273 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.236 273 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.236 273 G C 0.314 175.202 174.900 -0.021 0.000 0.987 273 G CA -0.420 44.669 45.100 -0.018 0.000 0.635 273 G HN 0.481 nan 8.290 nan 0.000 0.520 274 I N 1.135 121.698 120.570 -0.012 0.000 2.845 274 I HA 0.217 4.387 4.170 -0.000 0.000 0.296 274 I C 0.718 176.816 176.117 -0.033 0.000 1.216 274 I CA 0.955 62.239 61.300 -0.027 0.000 1.438 274 I CB 0.728 38.716 38.000 -0.020 0.000 1.342 274 I HN 0.207 nan 8.210 nan 0.000 0.577 275 K N 4.646 125.018 120.400 -0.046 0.000 2.371 275 K HA 0.574 4.894 4.320 -0.000 0.000 0.251 275 K C 0.027 176.592 176.600 -0.057 0.000 0.934 275 K CA -0.495 55.762 56.287 -0.050 0.000 0.798 275 K CB 2.146 34.611 32.500 -0.058 0.000 1.204 275 K HN 0.411 nan 8.250 nan 0.000 0.427 276 V N 0.320 120.203 119.914 -0.053 0.000 3.329 276 V HA 0.237 4.357 4.120 -0.000 0.000 0.317 276 V C 1.366 177.424 176.094 -0.060 0.000 1.495 276 V CA -0.343 61.922 62.300 -0.059 0.000 1.105 276 V CB 0.336 32.134 31.823 -0.043 0.000 0.985 276 V HN 0.780 nan 8.190 nan 0.000 0.475 277 R N 0.502 120.967 120.500 -0.059 0.000 2.070 277 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 277 R C 2.323 178.585 176.300 -0.063 0.000 1.137 277 R CA 2.307 58.372 56.100 -0.058 0.000 0.945 277 R CB -0.093 30.170 30.300 -0.061 0.000 0.845 277 R HN 0.495 nan 8.270 nan 0.000 0.430 278 Q N 0.516 120.273 119.800 -0.072 0.000 2.084 278 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 278 Q C 2.248 178.195 176.000 -0.087 0.000 0.978 278 Q CA 1.405 57.162 55.803 -0.076 0.000 0.844 278 Q CB -0.267 28.422 28.738 -0.082 0.000 0.898 278 Q HN 0.412 nan 8.270 nan 0.000 0.426 279 L N -0.853 120.308 121.223 -0.103 0.000 2.093 279 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 279 L C 2.584 179.401 176.870 -0.089 0.000 1.085 279 L CA 0.645 55.411 54.840 -0.124 0.000 0.755 279 L CB -0.321 41.647 42.059 -0.152 0.000 0.904 279 L HN 0.232 nan 8.230 nan 0.000 0.435 280 C N -0.134 119.125 119.300 -0.068 0.000 2.450 280 C HA -0.111 4.349 4.460 -0.000 0.000 0.279 280 C C 2.776 177.740 174.990 -0.043 0.000 1.335 280 C CA 0.603 59.591 59.018 -0.049 0.000 1.749 280 C CB -0.492 27.224 27.740 -0.041 0.000 1.963 280 C HN 0.406 nan 8.230 nan 0.000 0.501 281 K N 0.466 120.837 120.400 -0.047 0.000 2.152 281 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 281 K C 1.594 178.173 176.600 -0.036 0.000 1.048 281 K CA 1.188 57.451 56.287 -0.040 0.000 0.933 281 K CB -0.199 32.275 32.500 -0.043 0.000 0.721 281 K HN 0.513 nan 8.250 nan 0.000 0.447 282 L N 0.676 121.873 121.223 -0.044 0.000 2.362 282 L HA -0.116 4.224 4.340 -0.000 0.000 0.219 282 L C 1.604 178.460 176.870 -0.023 0.000 1.134 282 L CA 0.659 55.477 54.840 -0.037 0.000 0.807 282 L CB -0.237 41.790 42.059 -0.052 0.000 0.927 282 L HN 0.191 nan 8.230 nan 0.000 0.447 283 L N -0.575 120.635 121.223 -0.023 0.000 2.628 283 L HA 0.116 4.456 4.340 -0.000 0.000 0.229 283 L C 0.715 177.579 176.870 -0.010 0.000 1.137 283 L CA -0.132 54.701 54.840 -0.013 0.000 0.909 283 L CB -0.111 41.941 42.059 -0.013 0.000 1.137 283 L HN 0.129 nan 8.230 nan 0.000 0.470 284 R N 1.212 121.704 120.500 -0.013 0.000 2.316 284 R HA 0.466 4.806 4.340 -0.000 0.000 0.314 284 R C 0.241 176.537 176.300 -0.006 0.000 1.069 284 R CA 0.309 56.403 56.100 -0.010 0.000 0.959 284 R CB 0.616 30.908 30.300 -0.012 0.000 0.987 284 R HN 0.187 nan 8.270 nan 0.000 0.446 285 G N 1.508 110.306 108.800 -0.004 0.000 2.697 285 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.684 285 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.684 285 G C -0.516 174.383 174.900 -0.000 0.000 1.274 285 G CA -1.160 43.939 45.100 -0.002 0.000 0.806 285 G HN 0.417 nan 8.290 nan 0.000 0.644 286 T N 3.267 117.822 114.554 0.000 0.000 2.933 286 T HA 0.335 4.685 4.350 -0.000 0.000 0.263 286 T C 0.585 175.286 174.700 0.002 0.000 0.925 286 T CA 0.564 62.665 62.100 0.001 0.000 1.156 286 T CB -0.151 68.718 68.868 0.001 0.000 0.916 286 T HN 0.530 nan 8.240 nan 0.000 0.601 287 K N 1.780 122.182 120.400 0.003 0.000 2.259 287 K HA 0.672 4.992 4.320 -0.000 0.000 0.252 287 K C 0.131 176.735 176.600 0.006 0.000 0.936 287 K CA -0.940 55.350 56.287 0.006 0.000 0.810 287 K CB 1.992 34.497 32.500 0.008 0.000 1.143 287 K HN 0.508 nan 8.250 nan 0.000 0.427 288 A N 2.080 124.904 122.820 0.006 0.000 2.561 288 A HA -0.062 4.258 4.320 -0.000 0.000 0.234 288 A C 1.034 178.622 177.584 0.008 0.000 1.055 288 A CA -0.071 51.970 52.037 0.005 0.000 0.756 288 A CB 0.004 19.006 19.000 0.004 0.000 0.986 288 A HN 0.807 nan 8.150 nan 0.000 0.505 289 L N 2.672 123.898 121.223 0.006 0.000 2.275 289 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 289 L C 2.255 179.132 176.870 0.011 0.000 1.119 289 L CA 2.729 57.575 54.840 0.009 0.000 0.790 289 L CB -0.368 41.693 42.059 0.003 0.000 0.919 289 L HN 0.862 nan 8.230 nan 0.000 0.443 290 T N -4.119 110.439 114.554 0.007 0.000 3.069 290 T HA 0.106 4.456 4.350 -0.000 0.000 0.252 290 T C 0.721 175.426 174.700 0.008 0.000 1.053 290 T CA -0.403 61.700 62.100 0.004 0.000 0.964 290 T CB -0.271 68.595 68.868 -0.003 0.000 1.005 290 T HN 0.333 nan 8.240 nan 0.000 0.532 291 E N 1.651 121.859 120.200 0.014 0.000 2.316 291 E HA 0.311 4.661 4.350 -0.000 0.000 0.275 291 E C -0.730 175.889 176.600 0.031 0.000 1.029 291 E CA -0.381 56.029 56.400 0.017 0.000 0.871 291 E CB 1.022 30.732 29.700 0.015 0.000 1.022 291 E HN 0.066 nan 8.360 nan 0.000 0.418 292 V N 6.270 126.202 119.914 0.030 0.000 2.583 292 V HA 0.193 4.313 4.120 -0.000 0.000 0.287 292 V C 0.342 176.470 176.094 0.056 0.000 1.051 292 V CA 0.073 62.402 62.300 0.049 0.000 1.010 292 V CB 0.853 32.697 31.823 0.035 0.000 0.988 292 V HN 0.562 nan 8.190 nan 0.000 0.478 293 I N 6.657 127.279 120.570 0.086 0.000 2.436 293 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 293 I C -2.496 173.672 176.117 0.085 0.000 1.010 293 I CA -1.973 59.368 61.300 0.068 0.000 1.098 293 I CB 2.372 40.403 38.000 0.052 0.000 1.266 293 I HN 0.452 nan 8.210 nan 0.000 0.434 294 P HA 0.233 nan 4.420 nan 0.000 0.280 294 P C -0.926 176.390 177.300 0.026 0.000 1.244 294 P CA -0.485 62.649 63.100 0.057 0.000 0.784 294 P CB 0.602 32.324 31.700 0.035 0.000 0.913 295 L N 3.252 124.488 121.223 0.022 0.000 2.315 295 L HA 0.219 4.559 4.340 -0.000 0.000 0.283 295 L C 1.279 178.130 176.870 -0.032 0.000 1.089 295 L CA 0.376 55.192 54.840 -0.040 0.000 0.833 295 L CB -0.334 41.673 42.059 -0.087 0.000 1.170 295 L HN 0.458 nan 8.230 nan 0.000 0.442 296 T N -0.672 113.857 114.554 -0.042 0.000 2.734 296 T HA 0.052 4.402 4.350 -0.000 0.000 0.314 296 T C 1.160 175.836 174.700 -0.039 0.000 1.057 296 T CA -0.490 61.589 62.100 -0.035 0.000 1.047 296 T CB 0.760 69.604 68.868 -0.039 0.000 0.991 296 T HN 0.573 nan 8.240 nan 0.000 0.540 297 E N 1.016 121.197 120.200 -0.032 0.000 2.023 297 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 297 E C 2.099 178.673 176.600 -0.043 0.000 1.003 297 E CA 1.915 58.295 56.400 -0.032 0.000 0.809 297 E CB -0.389 29.295 29.700 -0.027 0.000 0.755 297 E HN 0.806 nan 8.360 nan 0.000 0.449 298 E N 0.887 121.059 120.200 -0.046 0.000 2.048 298 E HA -0.224 4.126 4.350 -0.000 0.000 0.202 298 E C 1.983 178.542 176.600 -0.068 0.000 1.021 298 E CA 1.692 58.059 56.400 -0.054 0.000 0.825 298 E CB -0.490 29.177 29.700 -0.054 0.000 0.756 298 E HN 0.320 nan 8.360 nan 0.000 0.454 299 A N 1.322 124.095 122.820 -0.079 0.000 1.873 299 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 299 A C 2.083 179.595 177.584 -0.120 0.000 1.193 299 A CA 1.763 53.734 52.037 -0.110 0.000 0.629 299 A CB -0.579 18.345 19.000 -0.126 0.000 0.826 299 A HN 0.132 nan 8.150 nan 0.000 0.447 300 E N -0.492 119.650 120.200 -0.097 0.000 2.114 300 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 300 E C 1.942 178.499 176.600 -0.071 0.000 1.008 300 E CA 1.410 57.761 56.400 -0.081 0.000 0.810 300 E CB -0.393 29.280 29.700 -0.045 0.000 0.739 300 E HN 0.528 nan 8.360 nan 0.000 0.456 301 L N 0.771 121.956 121.223 -0.063 0.000 2.068 301 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 301 L C 2.435 179.265 176.870 -0.066 0.000 1.076 301 L CA 1.349 56.156 54.840 -0.055 0.000 0.753 301 L CB -0.592 41.438 42.059 -0.048 0.000 0.910 301 L HN 0.101 nan 8.230 nan 0.000 0.439 302 E N -0.154 119.999 120.200 -0.079 0.000 2.097 302 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 302 E C 2.179 178.721 176.600 -0.097 0.000 1.000 302 E CA 1.326 57.675 56.400 -0.085 0.000 0.804 302 E CB -0.140 29.503 29.700 -0.094 0.000 0.740 302 E HN 0.259 nan 8.360 nan 0.000 0.454 303 L N 0.484 121.635 121.223 -0.121 0.000 2.191 303 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 303 L C 2.031 178.850 176.870 -0.086 0.000 1.103 303 L CA 1.912 56.672 54.840 -0.134 0.000 0.769 303 L CB -0.572 41.371 42.059 -0.193 0.000 0.908 303 L HN 0.162 nan 8.230 nan 0.000 0.438 304 A N -0.650 122.130 122.820 -0.068 0.000 1.841 304 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 304 A C 2.145 179.701 177.584 -0.046 0.000 1.195 304 A CA 1.557 53.566 52.037 -0.045 0.000 0.611 304 A CB -0.644 18.334 19.000 -0.037 0.000 0.835 304 A HN 0.539 nan 8.150 nan 0.000 0.443 305 E N 0.071 120.241 120.200 -0.050 0.000 2.070 305 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 305 E C 1.886 178.454 176.600 -0.053 0.000 1.004 305 E CA 1.316 57.688 56.400 -0.047 0.000 0.805 305 E CB -0.273 29.397 29.700 -0.049 0.000 0.744 305 E HN 0.531 nan 8.360 nan 0.000 0.451 306 N N 0.682 119.342 118.700 -0.066 0.000 2.069 306 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 306 N C 1.720 177.180 175.510 -0.083 0.000 1.031 306 N CA 0.811 53.813 53.050 -0.080 0.000 0.852 306 N CB -0.275 38.157 38.487 -0.092 0.000 1.018 306 N HN 0.094 nan 8.380 nan 0.000 0.423 307 R N 1.052 121.513 120.500 -0.066 0.000 2.103 307 R HA -0.156 4.184 4.340 -0.000 0.000 0.242 307 R C 1.991 178.263 176.300 -0.046 0.000 1.142 307 R CA 1.137 57.206 56.100 -0.051 0.000 0.960 307 R CB -0.489 29.794 30.300 -0.029 0.000 0.858 307 R HN 0.362 nan 8.270 nan 0.000 0.439 308 E N 0.713 120.890 120.200 -0.039 0.000 2.017 308 E HA -0.106 4.243 4.350 -0.000 0.000 0.193 308 E C 2.012 178.599 176.600 -0.023 0.000 0.997 308 E CA 1.249 57.633 56.400 -0.026 0.000 0.804 308 E CB -0.286 29.400 29.700 -0.024 0.000 0.757 308 E HN 0.274 nan 8.360 nan 0.000 0.448 309 I N 0.448 121.001 120.570 -0.029 0.000 2.315 309 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 309 I C 2.086 178.190 176.117 -0.021 0.000 1.125 309 I CA 0.979 62.279 61.300 -0.001 0.000 1.392 309 I CB -0.281 37.716 38.000 -0.004 0.000 1.065 309 I HN 0.192 nan 8.210 nan 0.000 0.424 310 L N 0.841 121.978 121.223 -0.144 0.000 2.418 310 L HA -0.096 4.244 4.340 -0.000 0.000 0.218 310 L C 2.597 179.416 176.870 -0.085 0.000 1.125 310 L CA 0.500 55.182 54.840 -0.263 0.000 0.835 310 L CB -0.495 41.379 42.059 -0.309 0.000 0.953 310 L HN 0.337 nan 8.230 nan 0.000 0.454 311 K N 1.845 122.229 120.400 -0.027 0.000 2.032 311 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 311 K C 0.530 177.151 176.600 0.036 0.000 1.048 311 K CA 1.058 57.347 56.287 0.003 0.000 0.927 311 K CB -0.387 32.115 32.500 0.003 0.000 0.712 311 K HN 0.438 nan 8.250 nan 0.000 0.441 312 E N 2.204 122.441 120.200 0.061 0.000 2.174 312 E HA 0.323 4.673 4.350 -0.000 0.000 0.282 312 E C -2.569 174.101 176.600 0.117 0.000 0.992 312 E CA -2.867 53.575 56.400 0.070 0.000 0.803 312 E CB 1.007 30.734 29.700 0.046 0.000 1.090 312 E HN -0.008 nan 8.360 nan 0.000 0.396 313 P HA -0.018 nan 4.420 nan 0.000 0.266 313 P C -1.027 176.217 177.300 -0.094 0.000 1.195 313 P CA -0.126 63.003 63.100 0.048 0.000 0.768 313 P CB 0.692 32.429 31.700 0.062 0.000 0.838 314 V N 3.787 123.459 119.914 -0.403 0.000 2.588 314 V HA 0.357 4.477 4.120 -0.000 0.000 0.304 314 V C -0.406 175.175 176.094 -0.855 0.000 1.042 314 V CA -0.506 61.431 62.300 -0.605 0.000 0.877 314 V CB 1.695 32.954 31.823 -0.940 0.000 0.996 314 V HN 0.594 nan 8.190 nan 0.000 0.425 315 H N 1.127 119.902 119.070 -0.492 0.000 2.731 315 H HA 0.781 5.337 4.556 -0.000 0.000 0.368 315 H C 0.371 175.282 175.328 -0.695 0.000 1.168 315 H CA 0.004 55.689 56.048 -0.604 0.000 1.181 315 H CB 1.979 31.459 29.762 -0.470 0.000 1.743 315 H HN 0.895 nan 8.280 nan 0.000 0.547 316 G N 0.305 108.512 108.800 -0.989 0.000 2.417 316 G HA2 0.475 4.435 3.960 -0.000 0.000 0.334 316 G HA3 0.475 4.435 3.960 -0.000 0.000 0.334 316 G C -0.867 173.732 174.900 -0.502 0.000 1.150 316 G CA -0.485 44.107 45.100 -0.847 0.000 0.923 316 G HN 0.517 nan 8.290 nan 0.000 0.485 317 V N 0.937 120.792 119.914 -0.098 0.000 3.096 317 V HA 0.663 4.783 4.120 -0.000 0.000 0.319 317 V C -0.637 175.558 176.094 0.167 0.000 1.082 317 V CA -1.040 61.239 62.300 -0.035 0.000 1.022 317 V CB 1.341 33.173 31.823 0.016 0.000 1.103 317 V HN 0.643 nan 8.190 nan 0.000 0.455 318 Y N 1.695 122.162 120.300 0.278 0.000 2.334 318 Y HA 0.337 4.887 4.550 -0.000 0.000 0.325 318 Y C -0.283 175.782 175.900 0.276 0.000 1.308 318 Y CA -0.221 58.050 58.100 0.285 0.000 1.389 318 Y CB 0.770 39.350 38.460 0.200 0.000 1.328 318 Y HN 0.677 nan 8.280 nan 0.000 0.532 319 Y N 2.142 122.662 120.300 0.366 0.000 2.377 319 Y HA 0.103 4.653 4.550 -0.000 0.000 0.330 319 Y C -0.438 175.539 175.900 0.128 0.000 1.108 319 Y CA -0.942 57.295 58.100 0.228 0.000 1.308 319 Y CB 0.455 39.120 38.460 0.343 0.000 1.216 319 Y HN 0.456 nan 8.280 nan 0.000 0.518 320 D N 8.436 128.575 120.400 -0.435 0.000 2.461 320 D HA 0.309 4.948 4.640 -0.000 0.000 0.240 320 D C -2.200 173.563 176.300 -0.895 0.000 1.094 320 D CA -2.557 51.150 54.000 -0.489 0.000 0.868 320 D CB 1.854 42.527 40.800 -0.212 0.000 1.062 320 D HN 0.317 nan 8.370 nan 0.000 0.530 321 P HA -0.162 nan 4.420 nan 0.000 0.218 321 P C 1.292 178.418 177.300 -0.291 0.000 1.146 321 P CA 1.047 63.755 63.100 -0.653 0.000 0.813 321 P CB 0.220 31.758 31.700 -0.271 0.000 0.778 322 S N -2.146 113.413 115.700 -0.235 0.000 2.461 322 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 322 S C 0.903 175.435 174.600 -0.113 0.000 1.005 322 S CA 0.380 58.501 58.200 -0.131 0.000 0.942 322 S CB -0.554 62.585 63.200 -0.102 0.000 0.776 322 S HN 0.094 nan 8.310 nan 0.000 0.514 323 K N 0.973 121.286 120.400 -0.144 0.000 2.132 323 K HA 0.435 4.755 4.320 -0.000 0.000 0.241 323 K C -0.810 175.741 176.600 -0.081 0.000 1.000 323 K CA -0.869 55.358 56.287 -0.100 0.000 0.911 323 K CB 0.455 32.898 32.500 -0.094 0.000 1.093 323 K HN 0.060 nan 8.250 nan 0.000 0.460 324 D N 0.309 120.665 120.400 -0.073 0.000 2.414 324 D HA 0.257 4.897 4.640 -0.000 0.000 0.259 324 D C -0.761 175.459 176.300 -0.133 0.000 1.269 324 D CA -0.113 53.836 54.000 -0.086 0.000 1.028 324 D CB 0.496 41.243 40.800 -0.088 0.000 1.093 324 D HN -0.012 nan 8.370 nan 0.000 0.545 325 L N 1.080 122.179 121.223 -0.207 0.000 2.356 325 L HA 0.389 4.729 4.340 -0.000 0.000 0.277 325 L C -0.882 175.755 176.870 -0.389 0.000 0.996 325 L CA -0.585 54.045 54.840 -0.349 0.000 0.822 325 L CB 1.464 43.245 42.059 -0.464 0.000 1.256 325 L HN 0.203 nan 8.230 nan 0.000 0.413 326 I N 2.765 123.047 120.570 -0.480 0.000 2.474 326 I HA 0.750 4.920 4.170 -0.000 0.000 0.294 326 I C 0.052 175.742 176.117 -0.711 0.000 1.005 326 I CA -0.909 60.049 61.300 -0.570 0.000 1.113 326 I CB 1.616 39.263 38.000 -0.588 0.000 1.289 326 I HN 0.638 nan 8.210 nan 0.000 0.436 327 A N 5.844 128.315 122.820 -0.582 0.000 2.335 327 A HA 0.722 5.042 4.320 -0.000 0.000 0.304 327 A C -0.544 176.940 177.584 -0.166 0.000 1.118 327 A CA -0.608 51.183 52.037 -0.411 0.000 0.757 327 A CB 1.039 19.721 19.000 -0.531 0.000 1.188 327 A HN 0.738 nan 8.150 nan 0.000 0.460 328 E N 1.924 122.100 120.200 -0.040 0.000 2.183 328 E HA 0.586 4.936 4.350 -0.000 0.000 0.271 328 E C -1.191 175.506 176.600 0.162 0.000 0.919 328 E CA -0.444 56.003 56.400 0.078 0.000 0.781 328 E CB 2.380 32.150 29.700 0.116 0.000 1.140 328 E HN 0.607 nan 8.360 nan 0.000 0.402 329 I N 2.690 123.353 120.570 0.156 0.000 2.406 329 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 329 I C -0.533 175.716 176.117 0.219 0.000 0.999 329 I CA -0.792 60.635 61.300 0.211 0.000 1.124 329 I CB 1.548 39.621 38.000 0.121 0.000 1.289 329 I HN 0.358 nan 8.210 nan 0.000 0.441 330 Q N 4.738 124.682 119.800 0.241 0.000 2.301 330 Q HA 0.435 4.775 4.340 -0.000 0.000 0.267 330 Q C -0.652 175.442 176.000 0.156 0.000 1.035 330 Q CA -0.834 55.066 55.803 0.162 0.000 0.856 330 Q CB 2.086 30.863 28.738 0.065 0.000 1.337 330 Q HN 0.338 nan 8.270 nan 0.000 0.450 331 K N 1.737 122.098 120.400 -0.064 0.000 2.281 331 K HA 0.189 4.509 4.320 -0.000 0.000 0.272 331 K C -0.067 176.318 176.600 -0.359 0.000 1.048 331 K CA 0.071 56.027 56.287 -0.552 0.000 0.898 331 K CB 0.675 32.754 32.500 -0.701 0.000 1.128 331 K HN 0.660 nan 8.250 nan 0.000 0.460 332 Q N 2.118 121.705 119.800 -0.355 0.000 1.879 332 Q HA 0.084 4.424 4.340 -0.000 0.000 0.214 332 Q C 0.892 176.753 176.000 -0.232 0.000 0.973 332 Q CA 1.242 56.915 55.803 -0.217 0.000 0.856 332 Q CB 0.052 28.698 28.738 -0.154 0.000 0.907 332 Q HN 0.816 nan 8.270 nan 0.000 0.436 333 G N -0.532 108.118 108.800 -0.250 0.000 3.122 333 G HA2 0.308 4.268 3.960 -0.000 0.000 0.180 333 G HA3 0.308 4.268 3.960 -0.000 0.000 0.180 333 G C -1.165 173.579 174.900 -0.259 0.000 1.279 333 G CA -0.446 44.531 45.100 -0.206 0.000 0.987 333 G HN 0.082 nan 8.290 nan 0.000 0.589 334 Q N -0.446 119.246 119.800 -0.181 0.000 2.286 334 Q HA 0.470 4.810 4.340 -0.000 0.000 0.257 334 Q C 1.013 176.936 176.000 -0.129 0.000 0.941 334 Q CA 1.248 56.960 55.803 -0.153 0.000 0.912 334 Q CB 0.964 29.641 28.738 -0.103 0.000 1.192 334 Q HN 1.333 nan 8.270 nan 0.000 0.410 335 G N 2.722 111.469 108.800 -0.088 0.000 2.196 335 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.268 335 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.268 335 G C -0.106 174.791 174.900 -0.005 0.000 0.975 335 G CA 0.401 45.522 45.100 0.036 0.000 0.648 335 G HN 0.534 nan 8.290 nan 0.000 0.538 336 Q N -1.226 118.424 119.800 -0.251 0.000 2.312 336 Q HA 0.619 4.959 4.340 -0.000 0.000 0.263 336 Q C -1.027 174.704 176.000 -0.449 0.000 0.995 336 Q CA -0.709 54.976 55.803 -0.197 0.000 0.853 336 Q CB 1.293 29.935 28.738 -0.161 0.000 1.300 336 Q HN 0.371 nan 8.270 nan 0.000 0.448 337 W N 0.694 122.052 121.300 0.097 0.000 2.998 337 W HA 0.455 5.115 4.660 -0.000 0.000 0.335 337 W C -0.201 176.422 176.519 0.173 0.000 1.110 337 W CA -0.567 56.866 57.345 0.145 0.000 1.230 337 W CB 2.048 31.639 29.460 0.217 0.000 1.405 337 W HN 0.365 nan 8.180 nan 0.000 0.493 338 T N 2.025 116.782 114.554 0.338 0.000 2.942 338 T HA 0.797 5.147 4.350 -0.000 0.000 0.289 338 T C -1.478 173.410 174.700 0.313 0.000 1.044 338 T CA -0.372 61.860 62.100 0.220 0.000 1.023 338 T CB 0.992 69.902 68.868 0.069 0.000 1.123 338 T HN 0.387 nan 8.240 nan 0.000 0.512 339 Y N 0.210 120.582 120.300 0.120 0.000 2.638 339 Y HA 0.794 5.344 4.550 -0.000 0.000 0.335 339 Y C -1.542 174.404 175.900 0.076 0.000 1.155 339 Y CA -1.303 56.855 58.100 0.097 0.000 1.046 339 Y CB 1.060 39.578 38.460 0.097 0.000 1.303 339 Y HN 0.505 nan 8.280 nan 0.000 0.460 340 Q N 1.862 121.780 119.800 0.196 0.000 2.389 340 Q HA 0.728 5.068 4.340 -0.000 0.000 0.277 340 Q C -1.543 174.523 176.000 0.109 0.000 1.082 340 Q CA -0.616 55.260 55.803 0.122 0.000 0.810 340 Q CB 3.365 32.197 28.738 0.158 0.000 1.374 340 Q HN 0.751 nan 8.270 nan 0.000 0.422 341 I N 2.992 123.610 120.570 0.080 0.000 2.466 341 I HA 0.538 4.708 4.170 -0.000 0.000 0.289 341 I C -1.277 174.797 176.117 -0.071 0.000 1.026 341 I CA -0.980 60.258 61.300 -0.102 0.000 1.078 341 I CB 0.912 38.901 38.000 -0.019 0.000 1.249 341 I HN 0.666 nan 8.210 nan 0.000 0.429 342 Y N 3.345 123.589 120.300 -0.093 0.000 2.689 342 Y HA 0.530 5.080 4.550 -0.000 0.000 0.333 342 Y C -0.115 175.701 175.900 -0.140 0.000 1.190 342 Y CA -0.973 57.078 58.100 -0.082 0.000 1.063 342 Y CB 0.985 39.436 38.460 -0.015 0.000 1.294 342 Y HN 0.438 nan 8.280 nan 0.000 0.466 343 Q N -0.163 119.768 119.800 0.218 0.000 2.532 343 Q HA 0.150 4.490 4.340 -0.000 0.000 0.247 343 Q C -0.594 175.482 176.000 0.125 0.000 0.872 343 Q CA 0.218 56.075 55.803 0.090 0.000 0.963 343 Q CB 1.258 29.994 28.738 -0.002 0.000 1.159 343 Q HN 0.747 nan 8.270 nan 0.000 0.598 344 E N 1.994 122.226 120.200 0.053 0.000 2.145 344 E HA 0.248 4.598 4.350 -0.000 0.000 0.270 344 E C -2.570 173.807 176.600 -0.372 0.000 0.906 344 E CA -2.499 53.835 56.400 -0.110 0.000 0.761 344 E CB 1.346 30.983 29.700 -0.106 0.000 1.116 344 E HN -0.231 nan 8.360 nan 0.000 0.408 345 P HA -0.173 nan 4.420 nan 0.000 0.247 345 P C -0.772 175.814 177.300 -1.190 0.000 1.103 345 P CA 1.319 63.626 63.100 -1.322 0.000 0.797 345 P CB -0.385 30.631 31.700 -1.141 0.000 0.710 346 F N -0.039 119.348 119.950 -0.938 0.000 2.699 346 F HA -0.268 4.259 4.527 -0.000 0.000 0.343 346 F C 0.750 176.400 175.800 -0.251 0.000 0.633 346 F CA 0.149 57.864 58.000 -0.474 0.000 1.365 346 F CB -1.395 37.428 39.000 -0.295 0.000 1.795 346 F HN 0.298 nan 8.300 nan 0.000 0.304 347 K N 1.959 122.299 120.400 -0.099 0.000 2.290 347 K HA 0.228 4.548 4.320 -0.000 0.000 0.250 347 K C -0.016 176.619 176.600 0.058 0.000 1.092 347 K CA -0.556 55.716 56.287 -0.026 0.000 1.006 347 K CB 0.323 32.794 32.500 -0.048 0.000 1.549 347 K HN 0.021 nan 8.250 nan 0.000 0.436 348 N N 2.135 120.885 118.700 0.083 0.000 2.407 348 N HA -0.056 4.684 4.740 -0.000 0.000 0.250 348 N C 0.909 176.500 175.510 0.135 0.000 1.236 348 N CA 0.283 53.417 53.050 0.140 0.000 0.879 348 N CB 0.706 39.235 38.487 0.071 0.000 1.088 348 N HN 0.395 nan 8.380 nan 0.000 0.450 349 L N 0.839 122.187 121.223 0.209 0.000 2.200 349 L HA 0.175 4.515 4.340 -0.000 0.000 0.200 349 L C 1.013 178.181 176.870 0.498 0.000 1.072 349 L CA 0.779 55.822 54.840 0.340 0.000 0.787 349 L CB 0.117 42.340 42.059 0.273 0.000 0.957 349 L HN 0.528 nan 8.230 nan 0.000 0.459 350 K N -1.711 118.911 120.400 0.371 0.000 2.555 350 K HA 0.422 4.742 4.320 -0.000 0.000 0.279 350 K C -1.315 175.380 176.600 0.159 0.000 0.986 350 K CA -0.528 55.971 56.287 0.352 0.000 0.880 350 K CB 2.371 35.035 32.500 0.273 0.000 1.474 350 K HN -0.266 nan 8.250 nan 0.000 0.433 351 T N -0.469 114.114 114.554 0.047 0.000 2.831 351 T HA 0.865 5.215 4.350 -0.000 0.000 0.287 351 T C -0.959 173.510 174.700 -0.385 0.000 1.070 351 T CA -0.230 61.773 62.100 -0.161 0.000 1.010 351 T CB 1.785 70.589 68.868 -0.108 0.000 1.264 351 T HN 0.848 nan 8.240 nan 0.000 0.532 352 G N 0.541 108.922 108.800 -0.700 0.000 2.328 352 G HA2 0.561 4.521 3.960 -0.000 0.000 0.295 352 G HA3 0.561 4.521 3.960 -0.000 0.000 0.295 352 G C -2.321 172.246 174.900 -0.556 0.000 1.413 352 G CA -0.904 43.785 45.100 -0.685 0.000 0.817 352 G HN 0.806 nan 8.290 nan 0.000 0.546 353 K N -1.264 119.117 120.400 -0.033 0.000 2.532 353 K HA 0.725 5.045 4.320 -0.000 0.000 0.265 353 K C -2.179 174.654 176.600 0.388 0.000 0.948 353 K CA -1.142 55.263 56.287 0.196 0.000 0.842 353 K CB 2.819 35.374 32.500 0.090 0.000 1.392 353 K HN 0.699 nan 8.250 nan 0.000 0.436 354 Y N 0.564 121.041 120.300 0.296 0.000 2.391 354 Y HA 0.601 5.151 4.550 -0.000 0.000 0.341 354 Y C -0.607 175.457 175.900 0.272 0.000 0.965 354 Y CA -0.227 58.019 58.100 0.243 0.000 1.067 354 Y CB 2.305 40.876 38.460 0.186 0.000 1.199 354 Y HN 0.884 nan 8.280 nan 0.000 0.450 355 A N 5.033 127.617 122.820 -0.392 0.000 2.480 355 A HA 0.240 4.560 4.320 -0.000 0.000 0.191 355 A C 0.556 177.887 177.584 -0.421 0.000 1.503 355 A CA -0.428 51.467 52.037 -0.237 0.000 1.110 355 A CB -0.012 18.930 19.000 -0.097 0.000 1.401 355 A HN 0.672 nan 8.150 nan 0.000 0.533 356 R N 1.186 121.248 120.500 -0.730 0.000 2.466 356 R HA -0.076 4.264 4.340 -0.000 0.000 0.280 356 R C 1.392 177.534 176.300 -0.263 0.000 0.926 356 R CA 0.865 56.691 56.100 -0.457 0.000 1.127 356 R CB 0.198 30.252 30.300 -0.409 0.000 0.871 356 R HN 0.668 nan 8.270 nan 0.000 0.421 357 M N 2.646 122.188 119.600 -0.096 0.000 2.102 357 M HA 0.038 4.518 4.480 -0.000 0.000 0.259 357 M C 0.774 177.095 176.300 0.035 0.000 1.083 357 M CA 0.870 56.161 55.300 -0.015 0.000 1.141 357 M CB -0.084 32.511 32.600 -0.009 0.000 1.318 357 M HN 0.590 nan 8.290 nan 0.000 0.421 358 R N 1.729 122.251 120.500 0.036 0.000 3.008 358 R HA -0.001 4.339 4.340 -0.000 0.000 0.267 358 R C -0.176 176.160 176.300 0.061 0.000 1.021 358 R CA 0.922 57.063 56.100 0.068 0.000 0.668 358 R CB -1.761 28.605 30.300 0.111 0.000 1.321 358 R HN 1.364 nan 8.270 nan 0.000 0.394 359 G N -0.752 108.066 108.800 0.030 0.000 2.795 359 G HA2 0.263 4.223 3.960 -0.000 0.000 0.664 359 G HA3 0.263 4.223 3.960 -0.000 0.000 0.664 359 G C -0.134 174.741 174.900 -0.042 0.000 1.381 359 G CA -0.295 44.806 45.100 0.001 0.000 0.853 359 G HN 1.262 nan 8.290 nan 0.000 0.545 360 A N -0.146 122.575 122.820 -0.164 0.000 2.293 360 A HA 0.865 5.185 4.320 -0.000 0.000 0.302 360 A C 0.555 177.935 177.584 -0.341 0.000 1.119 360 A CA 0.715 52.569 52.037 -0.305 0.000 0.823 360 A CB 0.121 18.798 19.000 -0.538 0.000 1.097 360 A HN 2.346 nan 8.150 nan 0.000 0.491 361 H N -1.405 117.716 119.070 0.085 0.000 3.542 361 H HA -0.076 4.480 4.556 -0.000 0.000 0.325 361 H C -0.249 175.146 175.328 0.112 0.000 0.928 361 H CA 0.623 56.729 56.048 0.096 0.000 0.989 361 H CB -1.262 28.564 29.762 0.107 0.000 1.497 361 H HN 0.867 nan 8.280 nan 0.000 0.349 362 T N 1.593 116.261 114.554 0.190 0.000 2.821 362 T HA 0.495 4.845 4.350 -0.000 0.000 0.306 362 T C -1.255 173.487 174.700 0.070 0.000 1.313 362 T CA -0.617 61.559 62.100 0.127 0.000 1.012 362 T CB 1.546 70.478 68.868 0.106 0.000 1.298 362 T HN 0.731 nan 8.240 nan 0.000 0.502 363 N N 0.956 119.638 118.700 -0.029 0.000 2.265 363 N HA 0.434 5.174 4.740 -0.000 0.000 0.300 363 N C 0.186 175.633 175.510 -0.104 0.000 1.148 363 N CA -0.679 52.325 53.050 -0.077 0.000 0.772 363 N CB 0.938 39.306 38.487 -0.199 0.000 1.434 363 N HN 0.333 nan 8.380 nan 0.000 0.481 364 D N 0.253 120.667 120.400 0.025 0.000 2.170 364 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 364 D C 1.593 177.833 176.300 -0.101 0.000 1.004 364 D CA 1.365 55.449 54.000 0.141 0.000 0.860 364 D CB -0.236 40.732 40.800 0.280 0.000 0.931 364 D HN 0.408 nan 8.370 nan 0.000 0.448 365 V N 0.258 119.970 119.914 -0.337 0.000 2.407 365 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 365 V C 2.340 178.135 176.094 -0.498 0.000 1.055 365 V CA 1.624 63.628 62.300 -0.494 0.000 1.049 365 V CB -0.399 30.860 31.823 -0.941 0.000 0.662 365 V HN 0.162 nan 8.190 nan 0.000 0.455 366 K N -0.421 119.649 120.400 -0.550 0.000 2.103 366 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 366 K C 2.298 178.764 176.600 -0.223 0.000 1.052 366 K CA 1.145 57.239 56.287 -0.322 0.000 0.945 366 K CB -0.053 32.298 32.500 -0.249 0.000 0.722 366 K HN 0.513 nan 8.250 nan 0.000 0.443 367 Q N 0.204 119.875 119.800 -0.215 0.000 2.083 367 Q HA -0.149 4.191 4.340 -0.000 0.000 0.198 367 Q C 2.148 177.736 176.000 -0.687 0.000 0.969 367 Q CA 1.097 56.754 55.803 -0.244 0.000 0.838 367 Q CB -0.149 28.594 28.738 0.009 0.000 0.900 367 Q HN 0.247 nan 8.270 nan 0.000 0.436 368 L N 0.828 121.545 121.223 -0.844 0.000 2.042 368 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 368 L C 2.192 178.599 176.870 -0.772 0.000 1.076 368 L CA 1.958 56.178 54.840 -1.033 0.000 0.749 368 L CB -0.916 40.708 42.059 -0.724 0.000 0.893 368 L HN 0.076 nan 8.230 nan 0.000 0.432 369 T N -0.525 113.709 114.554 -0.533 0.000 2.720 369 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 369 T C 1.733 176.147 174.700 -0.477 0.000 1.037 369 T CA 1.856 63.695 62.100 -0.434 0.000 1.144 369 T CB -0.154 68.639 68.868 -0.125 0.000 0.864 369 T HN 0.490 nan 8.240 nan 0.000 0.444 370 E N 0.526 120.449 120.200 -0.462 0.000 2.077 370 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 370 E C 2.470 178.563 176.600 -0.845 0.000 0.989 370 E CA 0.995 57.095 56.400 -0.499 0.000 0.800 370 E CB -0.194 29.316 29.700 -0.316 0.000 0.746 370 E HN 0.461 nan 8.360 nan 0.000 0.452 371 A N 0.672 122.828 122.820 -1.105 0.000 1.902 371 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 371 A C 2.465 179.594 177.584 -0.758 0.000 1.181 371 A CA 1.212 52.595 52.037 -1.090 0.000 0.623 371 A CB -0.668 17.801 19.000 -0.886 0.000 0.818 371 A HN 0.134 nan 8.150 nan 0.000 0.443 372 V N -0.101 119.344 119.914 -0.783 0.000 2.332 372 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 372 V C 2.784 178.526 176.094 -0.585 0.000 1.055 372 V CA 2.110 63.875 62.300 -0.890 0.000 1.038 372 V CB -0.723 30.416 31.823 -1.138 0.000 0.651 372 V HN 0.531 nan 8.190 nan 0.000 0.450 373 Q N 0.107 119.621 119.800 -0.476 0.000 2.020 373 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 373 Q C 2.362 178.223 176.000 -0.231 0.000 0.982 373 Q CA 1.903 57.530 55.803 -0.293 0.000 0.838 373 Q CB -0.448 28.151 28.738 -0.233 0.000 0.899 373 Q HN 0.647 nan 8.270 nan 0.000 0.423 374 K N 0.564 120.785 120.400 -0.298 0.000 1.991 374 K HA -0.151 4.169 4.320 -0.000 0.000 0.212 374 K C 2.175 178.661 176.600 -0.191 0.000 1.049 374 K CA 1.371 57.531 56.287 -0.212 0.000 0.932 374 K CB -0.353 32.001 32.500 -0.243 0.000 0.717 374 K HN 0.154 nan 8.250 nan 0.000 0.441 375 I N 1.221 121.614 120.570 -0.296 0.000 2.248 375 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 375 I C 2.257 178.354 176.117 -0.033 0.000 1.107 375 I CA 1.570 62.724 61.300 -0.244 0.000 1.373 375 I CB -0.392 37.413 38.000 -0.325 0.000 1.055 375 I HN 0.312 nan 8.210 nan 0.000 0.418 376 T N -0.319 114.243 114.554 0.014 0.000 2.674 376 T HA -0.173 4.177 4.350 -0.000 0.000 0.265 376 T C 1.949 176.653 174.700 0.007 0.000 1.039 376 T CA 2.054 64.189 62.100 0.059 0.000 1.150 376 T CB -0.373 68.513 68.868 0.031 0.000 0.864 376 T HN 0.341 nan 8.240 nan 0.000 0.427 377 T N 1.582 116.119 114.554 -0.028 0.000 2.684 377 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 377 T C 1.983 176.660 174.700 -0.039 0.000 1.036 377 T CA 1.690 63.774 62.100 -0.027 0.000 1.148 377 T CB -0.324 68.525 68.868 -0.032 0.000 0.863 377 T HN 0.616 nan 8.240 nan 0.000 0.436 378 E N 0.406 120.575 120.200 -0.051 0.000 2.077 378 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 378 E C 2.372 178.895 176.600 -0.128 0.000 0.989 378 E CA 1.375 57.724 56.400 -0.086 0.000 0.800 378 E CB -0.272 29.391 29.700 -0.061 0.000 0.746 378 E HN 0.329 nan 8.360 nan 0.000 0.452 379 S N -0.192 115.504 115.700 -0.007 0.000 2.399 379 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 379 S C 1.888 176.527 174.600 0.065 0.000 1.022 379 S CA 0.918 59.208 58.200 0.149 0.000 0.983 379 S CB -0.197 63.125 63.200 0.203 0.000 0.803 379 S HN 0.335 nan 8.310 nan 0.000 0.480 380 I N 0.458 121.029 120.570 0.002 0.000 2.233 380 I HA -0.109 4.061 4.170 -0.000 0.000 0.243 380 I C 2.206 178.281 176.117 -0.069 0.000 1.093 380 I CA 0.780 62.076 61.300 -0.007 0.000 1.380 380 I CB -0.439 37.563 38.000 0.003 0.000 1.067 380 I HN 0.156 nan 8.210 nan 0.000 0.413 381 V N 1.443 121.292 119.914 -0.108 0.000 2.287 381 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 381 V C 2.276 178.223 176.094 -0.245 0.000 1.053 381 V CA 2.043 64.259 62.300 -0.139 0.000 1.027 381 V CB -0.375 31.372 31.823 -0.128 0.000 0.646 381 V HN 0.323 nan 8.190 nan 0.000 0.447 382 I N -1.782 118.522 120.570 -0.443 0.000 2.235 382 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 382 I C 2.131 177.773 176.117 -0.791 0.000 1.085 382 I CA 1.563 62.402 61.300 -0.770 0.000 1.378 382 I CB -0.274 36.868 38.000 -1.430 0.000 1.076 382 I HN 0.399 nan 8.210 nan 0.000 0.415 383 W N 0.146 121.270 121.300 -0.294 0.000 3.058 383 W HA 0.351 5.011 4.660 -0.000 0.000 0.306 383 W C 1.552 177.946 176.519 -0.210 0.000 1.188 383 W CA 0.729 57.813 57.345 -0.435 0.000 1.651 383 W CB -0.280 28.790 29.460 -0.650 0.000 1.051 383 W HN 0.366 nan 8.180 nan 0.000 0.592 384 G N 2.055 110.878 108.800 0.039 0.000 2.179 384 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 384 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 384 G C 0.192 175.136 174.900 0.075 0.000 0.977 384 G CA 0.860 45.993 45.100 0.053 0.000 0.641 384 G HN 0.356 nan 8.290 nan 0.000 0.533 385 K N -0.873 119.584 120.400 0.095 0.000 2.556 385 K HA 0.679 4.999 4.320 -0.000 0.000 0.274 385 K C -0.252 176.379 176.600 0.051 0.000 0.966 385 K CA -0.353 55.975 56.287 0.069 0.000 0.865 385 K CB 1.068 33.609 32.500 0.070 0.000 1.444 385 K HN 0.508 nan 8.250 nan 0.000 0.433 386 T N -0.277 114.288 114.554 0.018 0.000 2.910 386 T HA 0.472 4.822 4.350 -0.000 0.000 0.293 386 T C -1.871 172.756 174.700 -0.121 0.000 1.015 386 T CA -1.137 60.951 62.100 -0.020 0.000 1.094 386 T CB 0.824 69.702 68.868 0.018 0.000 0.968 386 T HN 0.532 nan 8.240 nan 0.000 0.521 387 P HA 0.421 nan 4.420 nan 0.000 0.284 387 P C -0.955 176.036 177.300 -0.514 0.000 1.292 387 P CA -0.953 61.882 63.100 -0.442 0.000 0.800 387 P CB 1.056 32.388 31.700 -0.613 0.000 1.188 388 K N 0.260 120.398 120.400 -0.437 0.000 2.172 388 K HA 0.451 4.771 4.320 -0.000 0.000 0.276 388 K C -0.468 175.888 176.600 -0.407 0.000 1.013 388 K CA -0.286 55.831 56.287 -0.283 0.000 0.913 388 K CB 0.528 32.933 32.500 -0.159 0.000 1.055 388 K HN 0.327 nan 8.250 nan 0.000 0.461 389 F N 1.485 121.382 119.950 -0.089 0.000 2.425 389 F HA 0.326 4.853 4.527 -0.000 0.000 0.331 389 F C 0.484 176.281 175.800 -0.005 0.000 1.085 389 F CA -0.652 57.292 58.000 -0.094 0.000 1.028 389 F CB 1.434 40.335 39.000 -0.164 0.000 1.177 389 F HN 0.139 nan 8.300 nan 0.000 0.487 390 K N 4.755 125.254 120.400 0.166 0.000 2.527 390 K HA 0.484 4.804 4.320 -0.000 0.000 0.240 390 K C -1.256 175.406 176.600 0.104 0.000 0.989 390 K CA -0.309 56.057 56.287 0.133 0.000 0.985 390 K CB 1.126 33.670 32.500 0.072 0.000 1.221 390 K HN 0.491 nan 8.250 nan 0.000 0.458 391 L N 3.637 124.927 121.223 0.113 0.000 2.334 391 L HA 0.476 4.815 4.340 -0.000 0.000 0.275 391 L C -1.844 175.032 176.870 0.011 0.000 1.036 391 L CA -2.160 52.666 54.840 -0.024 0.000 0.807 391 L CB 1.298 43.162 42.059 -0.324 0.000 1.231 391 L HN 0.349 nan 8.230 nan 0.000 0.438 392 P HA 0.247 nan 4.420 nan 0.000 0.214 392 P C -0.609 176.828 177.300 0.229 0.000 1.807 392 P CA 0.293 63.423 63.100 0.050 0.000 0.921 392 P CB 0.404 32.148 31.700 0.072 0.000 1.835 393 I N -0.391 120.385 120.570 0.344 0.000 2.686 393 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 393 I C -0.577 175.888 176.117 0.580 0.000 1.114 393 I CA -1.027 60.474 61.300 0.334 0.000 1.038 393 I CB 2.808 40.833 38.000 0.040 0.000 1.238 393 I HN -0.175 nan 8.210 nan 0.000 0.420 394 Q N 5.587 125.566 119.800 0.299 0.000 2.352 394 Q HA 0.154 4.494 4.340 -0.000 0.000 0.260 394 Q C 0.498 176.730 176.000 0.386 0.000 0.976 394 Q CA -0.335 55.518 55.803 0.084 0.000 0.881 394 Q CB 1.259 29.947 28.738 -0.084 0.000 1.235 394 Q HN 0.514 nan 8.270 nan 0.000 0.419 395 K N 2.317 122.910 120.400 0.322 0.000 2.211 395 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 395 K C 1.358 178.172 176.600 0.356 0.000 1.047 395 K CA 1.311 57.832 56.287 0.390 0.000 0.935 395 K CB 0.327 32.851 32.500 0.040 0.000 0.728 395 K HN 0.506 nan 8.250 nan 0.000 0.452 396 E N -0.292 120.016 120.200 0.180 0.000 2.001 396 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 396 E C 2.080 178.766 176.600 0.142 0.000 0.994 396 E CA 1.723 58.187 56.400 0.107 0.000 0.815 396 E CB -0.732 28.977 29.700 0.015 0.000 0.770 396 E HN 0.150 nan 8.360 nan 0.000 0.453 397 T N 1.101 115.737 114.554 0.135 0.000 2.685 397 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 397 T C 1.346 176.173 174.700 0.212 0.000 1.034 397 T CA 1.537 63.710 62.100 0.121 0.000 1.149 397 T CB -0.478 68.443 68.868 0.089 0.000 0.860 397 T HN 0.379 nan 8.240 nan 0.000 0.449 398 W N 1.851 123.284 121.300 0.222 0.000 2.378 398 W HA -0.137 4.523 4.660 -0.000 0.000 0.313 398 W C 2.221 179.024 176.519 0.473 0.000 1.197 398 W CA 1.519 59.062 57.345 0.331 0.000 1.304 398 W CB -0.392 29.320 29.460 0.420 0.000 1.148 398 W HN 0.338 nan 8.180 nan 0.000 0.494 399 E N -0.164 120.223 120.200 0.312 0.000 2.070 399 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 399 E C 2.275 178.675 176.600 -0.334 0.000 1.004 399 E CA 2.826 59.229 56.400 0.006 0.000 0.805 399 E CB -0.490 29.240 29.700 0.050 0.000 0.744 399 E HN 0.172 nan 8.360 nan 0.000 0.451 400 T N -0.262 114.201 114.554 -0.152 0.000 2.708 400 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 400 T C 1.556 176.149 174.700 -0.178 0.000 1.037 400 T CA 1.523 63.522 62.100 -0.170 0.000 1.146 400 T CB -0.585 68.241 68.868 -0.070 0.000 0.865 400 T HN 0.553 nan 8.240 nan 0.000 0.435 401 W N 0.609 121.741 121.300 -0.280 0.000 2.355 401 W HA -0.141 4.519 4.660 -0.000 0.000 0.309 401 W C 2.094 178.425 176.519 -0.312 0.000 1.206 401 W CA 1.557 58.722 57.345 -0.299 0.000 1.284 401 W CB -1.012 28.247 29.460 -0.335 0.000 1.145 401 W HN 0.567 nan 8.180 nan 0.000 0.502 402 W N 3.358 124.234 121.300 -0.707 0.000 2.333 402 W HA -0.261 4.399 4.660 -0.000 0.000 0.316 402 W C 2.575 178.824 176.519 -0.450 0.000 1.215 402 W CA 3.816 60.721 57.345 -0.732 0.000 1.278 402 W CB -1.229 27.721 29.460 -0.850 0.000 1.154 402 W HN -0.060 nan 8.180 nan 0.000 0.486 403 T N -1.494 112.575 114.554 -0.809 0.000 2.833 403 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 403 T C 1.536 176.029 174.700 -0.345 0.000 1.054 403 T CA 1.841 63.531 62.100 -0.683 0.000 1.135 403 T CB -0.500 67.905 68.868 -0.771 0.000 0.869 403 T HN 0.460 nan 8.240 nan 0.000 0.466 404 E N -0.625 119.366 120.200 -0.347 0.000 2.276 404 E HA 0.162 4.512 4.350 -0.000 0.000 0.193 404 E C 0.046 176.498 176.600 -0.246 0.000 0.983 404 E CA -0.398 55.850 56.400 -0.254 0.000 0.861 404 E CB 0.038 29.606 29.700 -0.220 0.000 0.817 404 E HN 0.508 nan 8.360 nan 0.000 0.485 405 Y N 1.644 121.562 120.300 -0.636 0.000 2.788 405 Y HA -0.222 4.328 4.550 -0.000 0.000 0.341 405 Y C 1.111 176.779 175.900 -0.388 0.000 1.258 405 Y CA -0.405 57.256 58.100 -0.731 0.000 1.503 405 Y CB 0.322 38.089 38.460 -1.156 0.000 1.325 405 Y HN 0.164 nan 8.280 nan 0.000 0.614 406 W N 3.327 124.221 121.300 -0.676 0.000 2.409 406 W HA -0.033 4.627 4.660 -0.000 0.000 0.299 406 W C 0.070 176.299 176.519 -0.482 0.000 1.203 406 W CA 0.454 57.500 57.345 -0.498 0.000 1.298 406 W CB -0.593 28.613 29.460 -0.424 0.000 1.127 406 W HN 0.517 nan 8.180 nan 0.000 0.528 407 Q N 1.703 120.403 119.800 -1.833 0.000 2.327 407 Q HA 0.416 4.756 4.340 -0.000 0.000 0.254 407 Q C -0.109 175.591 176.000 -0.500 0.000 0.952 407 Q CA -0.231 54.756 55.803 -1.361 0.000 0.884 407 Q CB 1.288 28.762 28.738 -2.106 0.000 1.224 407 Q HN 0.104 nan 8.270 nan 0.000 0.422 408 A N 3.142 125.834 122.820 -0.213 0.000 2.450 408 A HA 0.424 4.744 4.320 -0.000 0.000 0.255 408 A C -0.572 177.010 177.584 -0.004 0.000 1.096 408 A CA 0.036 52.040 52.037 -0.056 0.000 0.778 408 A CB 0.498 19.488 19.000 -0.016 0.000 1.031 408 A HN 0.725 nan 8.150 nan 0.000 0.494 409 T N 2.356 116.951 114.554 0.068 0.000 2.912 409 T HA 0.555 4.905 4.350 -0.000 0.000 0.299 409 T C -0.689 174.137 174.700 0.210 0.000 1.052 409 T CA -0.401 61.784 62.100 0.142 0.000 0.996 409 T CB 1.248 70.248 68.868 0.220 0.000 1.070 409 T HN 0.825 nan 8.240 nan 0.000 0.465 410 W N 3.012 124.277 121.300 -0.057 0.000 3.021 410 W HA 0.826 5.486 4.660 -0.000 0.000 0.337 410 W C -1.911 174.522 176.519 -0.143 0.000 1.171 410 W CA -1.333 55.943 57.345 -0.115 0.000 1.060 410 W CB 1.377 30.779 29.460 -0.096 0.000 1.472 410 W HN 0.687 nan 8.180 nan 0.000 0.594 411 I N 3.906 123.767 120.570 -1.181 0.000 2.772 411 I HA 0.114 4.284 4.170 -0.000 0.000 0.280 411 I C -2.574 172.712 176.117 -1.384 0.000 1.623 411 I CA -1.200 59.426 61.300 -1.123 0.000 1.119 411 I CB 1.787 39.158 38.000 -1.047 0.000 1.545 411 I HN 0.098 nan 8.210 nan 0.000 0.419 412 P HA -0.029 nan 4.420 nan 0.000 0.271 412 P C -0.787 176.385 177.300 -0.212 0.000 1.233 412 P CA 0.042 62.880 63.100 -0.436 0.000 0.795 412 P CB 0.405 32.077 31.700 -0.048 0.000 0.936 413 E N 1.579 121.729 120.200 -0.084 0.000 2.966 413 E HA -0.086 4.264 4.350 -0.000 0.000 0.254 413 E C -0.575 176.095 176.600 0.116 0.000 0.923 413 E CA 0.275 56.662 56.400 -0.022 0.000 0.960 413 E CB 0.049 29.740 29.700 -0.015 0.000 0.901 413 E HN 0.335 nan 8.360 nan 0.000 0.525 414 W N 3.205 124.424 121.300 -0.135 0.000 3.040 414 W HA 0.673 5.333 4.660 -0.000 0.000 0.344 414 W C -1.118 175.373 176.519 -0.048 0.000 1.201 414 W CA -0.987 56.305 57.345 -0.088 0.000 1.119 414 W CB 0.729 30.076 29.460 -0.190 0.000 1.478 414 W HN 0.387 nan 8.180 nan 0.000 0.586 415 E N 0.616 121.009 120.200 0.321 0.000 2.356 415 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 415 E C -1.681 175.183 176.600 0.440 0.000 0.904 415 E CA -0.926 55.557 56.400 0.139 0.000 0.757 415 E CB 3.338 33.084 29.700 0.077 0.000 1.232 415 E HN 0.269 nan 8.360 nan 0.000 0.442 416 F N 2.255 122.331 119.950 0.211 0.000 2.410 416 F HA 0.467 4.994 4.527 -0.000 0.000 0.334 416 F C -0.714 175.193 175.800 0.178 0.000 1.134 416 F CA -0.225 57.950 58.000 0.292 0.000 1.227 416 F CB 0.975 40.099 39.000 0.206 0.000 1.194 416 F HN 0.143 nan 8.300 nan 0.000 0.571 417 V N 6.332 125.682 119.914 -0.939 0.000 2.653 417 V HA 0.227 4.347 4.120 -0.000 0.000 0.298 417 V C -1.146 174.297 176.094 -1.084 0.000 1.097 417 V CA -0.874 61.012 62.300 -0.690 0.000 0.908 417 V CB 1.329 33.022 31.823 -0.217 0.000 1.024 417 V HN 0.865 nan 8.190 nan 0.000 0.435 418 N N 4.575 122.740 118.700 -0.892 0.000 2.498 418 N HA 0.141 4.881 4.740 -0.000 0.000 0.277 418 N C -0.049 175.364 175.510 -0.161 0.000 1.208 418 N CA 0.539 53.329 53.050 -0.434 0.000 1.029 418 N CB 0.555 39.078 38.487 0.061 0.000 1.403 418 N HN 0.884 nan 8.380 nan 0.000 0.500 419 T N 0.900 115.368 114.554 -0.143 0.000 3.226 419 T HA 0.399 4.749 4.350 -0.000 0.000 0.378 419 T C -2.692 172.006 174.700 -0.004 0.000 1.380 419 T CA -1.871 60.197 62.100 -0.054 0.000 1.396 419 T CB 1.246 70.081 68.868 -0.054 0.000 1.044 419 T HN 0.107 nan 8.240 nan 0.000 0.586 420 P HA 0.192 nan 4.420 nan 0.000 0.266 420 P C -2.340 174.971 177.300 0.018 0.000 1.186 420 P CA -0.653 62.475 63.100 0.047 0.000 0.767 420 P CB -0.348 31.382 31.700 0.050 0.000 0.820 421 P HA 0.146 nan 4.420 nan 0.000 0.271 421 P C -0.636 176.722 177.300 0.097 0.000 1.220 421 P CA -0.056 63.079 63.100 0.058 0.000 0.768 421 P CB 0.308 32.025 31.700 0.028 0.000 0.848 422 L N 3.580 124.886 121.223 0.138 0.000 2.395 422 L HA 0.177 4.517 4.340 -0.000 0.000 0.269 422 L C -0.033 176.938 176.870 0.168 0.000 1.133 422 L CA -0.164 54.782 54.840 0.177 0.000 0.812 422 L CB 0.936 43.122 42.059 0.212 0.000 1.125 422 L HN 0.137 nan 8.230 nan 0.000 0.452 423 V N 3.590 123.610 119.914 0.177 0.000 2.498 423 V HA 0.463 4.583 4.120 -0.000 0.000 0.279 423 V C 0.026 176.143 176.094 0.037 0.000 1.048 423 V CA -0.521 61.873 62.300 0.157 0.000 0.967 423 V CB 0.835 32.763 31.823 0.176 0.000 0.988 423 V HN 0.864 nan 8.190 nan 0.000 0.473 424 K N 4.240 124.600 120.400 -0.066 0.000 2.556 424 K HA 0.637 4.957 4.320 -0.000 0.000 0.274 424 K C -1.652 174.684 176.600 -0.439 0.000 0.966 424 K CA -1.059 55.054 56.287 -0.290 0.000 0.865 424 K CB 1.840 34.053 32.500 -0.479 0.000 1.444 424 K HN 0.360 nan 8.250 nan 0.000 0.433 425 L N 2.096 123.086 121.223 -0.388 0.000 2.313 425 L HA 0.219 4.559 4.340 -0.000 0.000 0.282 425 L C -0.091 176.514 176.870 -0.442 0.000 1.092 425 L CA -0.525 54.120 54.840 -0.325 0.000 0.831 425 L CB 0.183 42.125 42.059 -0.195 0.000 1.159 425 L HN 0.677 nan 8.230 nan 0.000 0.442 426 W N 4.152 125.407 121.300 -0.075 0.000 3.292 426 W HA 0.081 4.741 4.660 -0.000 0.000 0.263 426 W C -0.176 176.461 176.519 0.196 0.000 1.318 426 W CA -0.149 57.228 57.345 0.055 0.000 1.663 426 W CB -0.252 29.272 29.460 0.107 0.000 1.114 426 W HN 0.502 nan 8.180 nan 0.000 0.706 427 Y N -2.513 117.856 120.300 0.114 0.000 2.755 427 Y HA 0.323 4.873 4.550 -0.000 0.000 0.368 427 Y C -1.323 174.622 175.900 0.076 0.000 1.177 427 Y CA -2.020 56.138 58.100 0.096 0.000 1.290 427 Y CB 0.010 38.544 38.460 0.123 0.000 1.415 427 Y HN -0.245 nan 8.280 nan 0.000 0.501 428 Q N 2.936 122.901 119.800 0.275 0.000 2.413 428 Q HA 0.634 4.974 4.340 -0.000 0.000 0.276 428 Q C -1.322 174.827 176.000 0.248 0.000 1.099 428 Q CA -1.003 54.904 55.803 0.174 0.000 0.814 428 Q CB 3.425 32.218 28.738 0.092 0.000 1.379 428 Q HN 0.858 nan 8.270 nan 0.000 0.436 429 L N 1.733 123.074 121.223 0.196 0.000 2.295 429 L HA 0.306 4.646 4.340 -0.000 0.000 0.285 429 L C 0.551 177.514 176.870 0.155 0.000 1.035 429 L CA -0.815 54.131 54.840 0.176 0.000 0.806 429 L CB 1.160 43.308 42.059 0.148 0.000 1.214 429 L HN 0.380 nan 8.230 nan 0.000 0.426 430 E N 2.397 122.709 120.200 0.186 0.000 2.438 430 E HA -0.007 4.343 4.350 -0.000 0.000 0.261 430 E C 0.252 177.022 176.600 0.283 0.000 1.103 430 E CA 0.225 56.745 56.400 0.201 0.000 0.959 430 E CB 1.033 30.855 29.700 0.205 0.000 0.958 430 E HN 0.472 nan 8.360 nan 0.000 0.447 431 K N 0.728 121.240 120.400 0.187 0.000 2.287 431 K HA 0.059 4.379 4.320 -0.000 0.000 0.199 431 K C 0.108 176.795 176.600 0.144 0.000 1.061 431 K CA 0.326 56.731 56.287 0.196 0.000 0.976 431 K CB 0.370 32.923 32.500 0.087 0.000 0.898 431 K HN 0.216 nan 8.250 nan 0.000 0.492 432 E N 1.005 121.166 120.200 -0.066 0.000 2.179 432 E HA 0.263 4.613 4.350 -0.000 0.000 0.275 432 E C -2.664 173.579 176.600 -0.595 0.000 0.945 432 E CA -2.581 53.644 56.400 -0.292 0.000 0.792 432 E CB 1.268 30.878 29.700 -0.150 0.000 1.125 432 E HN -0.164 nan 8.360 nan 0.000 0.397 433 P HA -0.024 nan 4.420 nan 0.000 0.267 433 P C -0.501 176.614 177.300 -0.308 0.000 1.195 433 P CA 0.459 63.054 63.100 -0.842 0.000 0.773 433 P CB 0.345 31.727 31.700 -0.529 0.000 0.837 434 I N 1.572 122.061 120.570 -0.136 0.000 2.281 434 I HA 0.098 4.268 4.170 -0.000 0.000 0.293 434 I C 0.128 176.228 176.117 -0.029 0.000 1.085 434 I CA -0.825 60.449 61.300 -0.044 0.000 1.257 434 I CB 0.301 38.314 38.000 0.020 0.000 1.430 434 I HN 0.001 nan 8.210 nan 0.000 0.489 435 V N 5.792 125.683 119.914 -0.038 0.000 2.673 435 V HA 0.139 4.259 4.120 -0.000 0.000 0.303 435 V C 1.334 177.426 176.094 -0.003 0.000 1.046 435 V CA 0.508 62.795 62.300 -0.022 0.000 1.126 435 V CB 0.525 32.333 31.823 -0.025 0.000 0.934 435 V HN 1.124 nan 8.190 nan 0.000 0.487 436 G N 3.394 112.197 108.800 0.004 0.000 2.351 436 G HA2 0.172 4.132 3.960 -0.000 0.000 0.297 436 G HA3 0.172 4.132 3.960 -0.000 0.000 0.297 436 G C -0.024 174.889 174.900 0.021 0.000 1.054 436 G CA 0.234 45.341 45.100 0.011 0.000 1.123 436 G HN 1.881 nan 8.290 nan 0.000 0.512 437 A N -0.126 122.713 122.820 0.031 0.000 2.465 437 A HA 0.752 5.072 4.320 -0.000 0.000 0.292 437 A C -0.038 177.589 177.584 0.072 0.000 1.041 437 A CA -0.079 51.989 52.037 0.052 0.000 0.718 437 A CB 1.066 20.098 19.000 0.053 0.000 1.266 437 A HN 0.619 nan 8.150 nan 0.000 0.403 438 E N 0.737 120.992 120.200 0.091 0.000 2.467 438 E HA 0.180 4.530 4.350 -0.000 0.000 0.264 438 E C -0.474 176.214 176.600 0.148 0.000 1.020 438 E CA 0.723 57.171 56.400 0.081 0.000 0.945 438 E CB 0.424 30.171 29.700 0.078 0.000 0.942 438 E HN 0.519 nan 8.360 nan 0.000 0.449 439 T N 4.884 119.487 114.554 0.082 0.000 2.963 439 T HA 0.263 4.613 4.350 -0.000 0.000 0.343 439 T C -0.871 173.906 174.700 0.129 0.000 1.146 439 T CA -0.472 61.704 62.100 0.127 0.000 1.016 439 T CB -0.163 68.774 68.868 0.116 0.000 1.046 439 T HN 0.200 nan 8.240 nan 0.000 0.496 440 F N 2.584 122.514 119.950 -0.033 0.000 2.445 440 F HA 0.315 4.842 4.527 -0.000 0.000 0.359 440 F C 0.236 176.052 175.800 0.026 0.000 1.101 440 F CA -1.158 56.825 58.000 -0.028 0.000 1.177 440 F CB 0.267 39.132 39.000 -0.224 0.000 1.110 440 F HN 0.495 nan 8.300 nan 0.000 0.522 441 Y N 3.615 124.002 120.300 0.145 0.000 2.676 441 Y HA 0.374 4.924 4.550 -0.000 0.000 0.338 441 Y C 0.362 176.366 175.900 0.174 0.000 1.057 441 Y CA -1.004 57.167 58.100 0.118 0.000 1.314 441 Y CB 0.245 38.745 38.460 0.067 0.000 1.164 441 Y HN 0.399 nan 8.280 nan 0.000 0.509 442 V N -0.219 119.856 119.914 0.268 0.000 3.214 442 V HA 0.642 4.762 4.120 -0.000 0.000 0.306 442 V C -0.170 176.048 176.094 0.206 0.000 1.078 442 V CA -0.371 62.091 62.300 0.269 0.000 1.077 442 V CB 1.994 33.938 31.823 0.203 0.000 1.121 442 V HN 0.602 nan 8.190 nan 0.000 0.468 443 D N -0.785 119.730 120.400 0.192 0.000 2.725 443 D HA 0.648 5.288 4.640 -0.000 0.000 0.292 443 D C -0.678 175.713 176.300 0.150 0.000 1.288 443 D CA 0.437 54.536 54.000 0.165 0.000 0.784 443 D CB 2.072 42.974 40.800 0.171 0.000 1.308 443 D HN 1.214 nan 8.370 nan 0.000 0.429 444 G N -0.810 108.079 108.800 0.148 0.000 2.646 444 G HA2 0.818 4.778 3.960 -0.000 0.000 0.291 444 G HA3 0.818 4.778 3.960 -0.000 0.000 0.291 444 G C -1.816 173.161 174.900 0.128 0.000 1.445 444 G CA 0.145 45.321 45.100 0.125 0.000 0.814 444 G HN 0.657 nan 8.290 nan 0.000 0.495 445 A N -1.152 121.731 122.820 0.105 0.000 2.586 445 A HA 1.092 5.412 4.320 -0.000 0.000 0.290 445 A C -0.878 176.747 177.584 0.069 0.000 1.086 445 A CA 0.040 52.135 52.037 0.097 0.000 0.665 445 A CB 1.356 20.440 19.000 0.140 0.000 1.279 445 A HN 2.622 nan 8.150 nan 0.000 0.423 446 A N 0.996 123.850 122.820 0.055 0.000 2.530 446 A HA 0.594 4.914 4.320 -0.000 0.000 0.297 446 A C -1.021 176.583 177.584 0.034 0.000 1.059 446 A CA -0.519 51.543 52.037 0.042 0.000 0.782 446 A CB 0.861 19.884 19.000 0.038 0.000 1.301 446 A HN 1.080 nan 8.150 nan 0.000 0.394 447 N N 2.021 120.740 118.700 0.030 0.000 2.452 447 N HA 0.053 4.793 4.740 -0.000 0.000 0.266 447 N C 1.079 176.600 175.510 0.019 0.000 1.209 447 N CA 0.128 53.193 53.050 0.025 0.000 0.929 447 N CB 0.638 39.138 38.487 0.022 0.000 1.063 447 N HN 0.728 nan 8.380 nan 0.000 0.472 448 R N 2.309 122.819 120.500 0.016 0.000 2.092 448 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 448 R C 1.581 177.886 176.300 0.010 0.000 1.119 448 R CA 1.579 57.686 56.100 0.011 0.000 0.970 448 R CB 0.099 30.404 30.300 0.008 0.000 0.864 448 R HN 0.754 nan 8.270 nan 0.000 0.440 449 E N -0.505 119.701 120.200 0.011 0.000 2.158 449 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 449 E C 1.085 177.691 176.600 0.010 0.000 0.982 449 E CA 1.210 57.615 56.400 0.009 0.000 0.823 449 E CB 0.032 29.737 29.700 0.009 0.000 0.766 449 E HN 0.090 nan 8.360 nan 0.000 0.468 450 T N 0.053 114.614 114.554 0.012 0.000 2.925 450 T HA 0.054 4.404 4.350 -0.000 0.000 0.245 450 T C 0.278 174.986 174.700 0.013 0.000 1.025 450 T CA 0.725 62.833 62.100 0.012 0.000 1.149 450 T CB 0.078 68.954 68.868 0.013 0.000 0.866 450 T HN 0.020 nan 8.240 nan 0.000 0.437 451 K N 0.153 120.562 120.400 0.015 0.000 3.317 451 K HA -0.028 4.292 4.320 -0.000 0.000 0.274 451 K C -1.237 175.376 176.600 0.021 0.000 1.301 451 K CA 0.188 56.485 56.287 0.017 0.000 0.807 451 K CB -2.228 30.281 32.500 0.015 0.000 1.595 451 K HN 0.338 nan 8.250 nan 0.000 0.529 452 L N 0.310 121.546 121.223 0.022 0.000 2.305 452 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 452 L C 0.976 177.864 176.870 0.029 0.000 1.013 452 L CA -0.559 54.295 54.840 0.023 0.000 0.819 452 L CB 1.798 43.869 42.059 0.019 0.000 1.227 452 L HN 0.271 nan 8.230 nan 0.000 0.417 453 G N 2.353 111.173 108.800 0.033 0.000 2.788 453 G HA2 0.679 4.639 3.960 -0.000 0.000 0.293 453 G HA3 0.679 4.639 3.960 -0.000 0.000 0.293 453 G C -1.012 173.912 174.900 0.039 0.000 1.305 453 G CA -0.520 44.604 45.100 0.041 0.000 1.005 453 G HN 0.497 nan 8.290 nan 0.000 0.496 454 K N 0.436 120.863 120.400 0.045 0.000 2.756 454 K HA 0.476 4.796 4.320 -0.000 0.000 0.218 454 K C -0.417 176.213 176.600 0.049 0.000 1.057 454 K CA -0.492 55.817 56.287 0.037 0.000 1.056 454 K CB 1.781 34.296 32.500 0.025 0.000 1.235 454 K HN 0.605 nan 8.250 nan 0.000 0.547 455 A N 1.719 124.574 122.820 0.058 0.000 2.451 455 A HA 0.652 4.972 4.320 -0.000 0.000 0.266 455 A C 0.408 178.029 177.584 0.061 0.000 1.119 455 A CA 0.335 52.421 52.037 0.081 0.000 0.786 455 A CB 0.414 19.473 19.000 0.098 0.000 1.061 455 A HN 0.760 nan 8.150 nan 0.000 0.503 456 G N 0.511 109.359 108.800 0.080 0.000 2.749 456 G HA2 0.730 4.690 3.960 -0.000 0.000 0.300 456 G HA3 0.730 4.690 3.960 -0.000 0.000 0.300 456 G C -1.108 173.885 174.900 0.155 0.000 1.352 456 G CA 0.024 45.131 45.100 0.012 0.000 0.789 456 G HN 1.655 nan 8.290 nan 0.000 0.509 457 Y N -3.211 117.153 120.300 0.106 0.000 2.750 457 Y HA 0.779 5.329 4.550 -0.000 0.000 0.335 457 Y C -1.435 174.515 175.900 0.084 0.000 1.252 457 Y CA -1.701 56.484 58.100 0.143 0.000 1.064 457 Y CB 1.080 39.694 38.460 0.257 0.000 1.321 457 Y HN 0.766 nan 8.280 nan 0.000 0.451 458 V N 1.369 121.549 119.914 0.444 0.000 2.891 458 V HA 0.687 4.807 4.120 -0.000 0.000 0.304 458 V C -0.386 175.782 176.094 0.123 0.000 1.171 458 V CA -0.105 62.320 62.300 0.209 0.000 0.943 458 V CB 1.769 33.621 31.823 0.050 0.000 1.037 458 V HN 1.247 nan 8.190 nan 0.000 0.427 459 T N -0.619 113.916 114.554 -0.032 0.000 2.905 459 T HA 0.362 4.712 4.350 -0.000 0.000 0.283 459 T C 0.691 175.345 174.700 -0.077 0.000 1.031 459 T CA -0.326 61.689 62.100 -0.142 0.000 1.002 459 T CB 1.584 70.173 68.868 -0.466 0.000 1.200 459 T HN 0.712 nan 8.240 nan 0.000 0.560 460 N N -0.300 118.374 118.700 -0.044 0.000 2.434 460 N HA 0.028 4.768 4.740 -0.000 0.000 0.196 460 N C 0.375 175.859 175.510 -0.044 0.000 1.183 460 N CA -0.163 52.873 53.050 -0.024 0.000 0.849 460 N CB -0.085 38.423 38.487 0.035 0.000 0.992 460 N HN 0.653 nan 8.380 nan 0.000 0.460 461 K N -0.439 119.918 120.400 -0.073 0.000 2.564 461 K HA 0.244 4.564 4.320 -0.000 0.000 0.205 461 K C 0.509 177.076 176.600 -0.055 0.000 1.053 461 K CA 0.171 56.422 56.287 -0.060 0.000 1.072 461 K CB 0.707 33.167 32.500 -0.067 0.000 0.822 461 K HN 0.204 nan 8.250 nan 0.000 0.497 462 G N 2.028 110.794 108.800 -0.056 0.000 2.396 462 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.242 462 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.242 462 G C 0.179 175.059 174.900 -0.034 0.000 1.069 462 G CA -0.087 44.986 45.100 -0.044 0.000 0.633 462 G HN 0.334 nan 8.290 nan 0.000 0.517 463 R N 1.426 121.907 120.500 -0.031 0.000 2.583 463 R HA 0.309 4.649 4.340 -0.000 0.000 0.274 463 R C 0.337 176.664 176.300 0.045 0.000 0.998 463 R CA 1.337 57.447 56.100 0.016 0.000 1.081 463 R CB -0.033 30.293 30.300 0.042 0.000 0.940 463 R HN 0.762 nan 8.270 nan 0.000 0.413 464 Q N 1.449 121.248 119.800 -0.002 0.000 2.487 464 Q HA 0.282 4.621 4.340 -0.000 0.000 0.234 464 Q C -1.517 174.343 176.000 -0.235 0.000 0.828 464 Q CA -0.756 54.988 55.803 -0.099 0.000 0.907 464 Q CB 1.659 30.360 28.738 -0.062 0.000 1.462 464 Q HN 0.447 nan 8.270 nan 0.000 0.442 465 K N 1.605 121.665 120.400 -0.566 0.000 2.156 465 K HA 0.716 5.036 4.320 -0.000 0.000 0.250 465 K C -1.230 175.124 176.600 -0.410 0.000 0.955 465 K CA -0.856 55.142 56.287 -0.482 0.000 0.855 465 K CB 1.969 34.122 32.500 -0.578 0.000 1.101 465 K HN 0.462 nan 8.250 nan 0.000 0.434 466 V N 4.558 124.344 119.914 -0.214 0.000 2.629 466 V HA 0.115 4.234 4.120 -0.000 0.000 0.263 466 V C -0.689 175.365 176.094 -0.068 0.000 0.959 466 V CA -0.979 61.246 62.300 -0.124 0.000 0.869 466 V CB 1.102 32.875 31.823 -0.083 0.000 1.060 466 V HN 0.632 nan 8.190 nan 0.000 0.474 467 V N 3.376 123.262 119.914 -0.048 0.000 2.583 467 V HA 0.711 4.831 4.120 -0.000 0.000 0.287 467 V C -2.046 174.052 176.094 0.007 0.000 1.051 467 V CA -1.578 60.714 62.300 -0.013 0.000 1.010 467 V CB 1.321 33.147 31.823 0.006 0.000 0.988 467 V HN 0.583 nan 8.190 nan 0.000 0.478 468 P HA 0.616 nan 4.420 nan 0.000 0.284 468 P C -1.307 176.009 177.300 0.027 0.000 1.258 468 P CA -0.553 62.557 63.100 0.017 0.000 0.824 468 P CB 1.940 33.646 31.700 0.011 0.000 1.038 469 L N 1.042 122.284 121.223 0.031 0.000 2.371 469 L HA 0.640 4.980 4.340 -0.000 0.000 0.262 469 L C 0.426 177.314 176.870 0.030 0.000 1.006 469 L CA -0.395 54.467 54.840 0.036 0.000 0.818 469 L CB 2.155 44.242 42.059 0.047 0.000 1.354 469 L HN 0.415 nan 8.230 nan 0.000 0.415 470 T N -1.669 112.902 114.554 0.029 0.000 2.812 470 T HA 0.517 4.867 4.350 -0.000 0.000 0.282 470 T C -0.169 174.546 174.700 0.024 0.000 0.990 470 T CA -0.621 61.494 62.100 0.024 0.000 0.960 470 T CB 1.108 69.988 68.868 0.020 0.000 0.948 470 T HN 0.593 nan 8.240 nan 0.000 0.438 471 N N 0.490 119.203 118.700 0.023 0.000 2.862 471 N HA -0.131 4.609 4.740 -0.000 0.000 0.246 471 N C -0.251 175.274 175.510 0.025 0.000 1.111 471 N CA 1.379 54.441 53.050 0.021 0.000 0.688 471 N CB -1.705 36.793 38.487 0.019 0.000 1.018 471 N HN 1.170 nan 8.380 nan 0.000 0.556 472 T N -3.221 111.350 114.554 0.029 0.000 2.893 472 T HA 0.673 5.022 4.350 -0.000 0.000 0.291 472 T C 0.797 175.516 174.700 0.032 0.000 1.028 472 T CA -0.233 61.889 62.100 0.035 0.000 0.995 472 T CB 2.593 71.489 68.868 0.047 0.000 1.051 472 T HN 0.180 nan 8.240 nan 0.000 0.470 473 T N 0.351 114.924 114.554 0.031 0.000 2.732 473 T HA 0.262 4.612 4.350 -0.000 0.000 0.287 473 T C 1.236 175.955 174.700 0.032 0.000 0.993 473 T CA -0.611 61.502 62.100 0.021 0.000 0.966 473 T CB 0.300 69.171 68.868 0.005 0.000 1.047 473 T HN 0.618 nan 8.240 nan 0.000 0.527 474 N N -0.048 118.663 118.700 0.019 0.000 2.309 474 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 474 N C 1.862 177.404 175.510 0.053 0.000 1.018 474 N CA 1.039 54.106 53.050 0.029 0.000 0.876 474 N CB -0.139 38.352 38.487 0.008 0.000 0.972 474 N HN 0.630 nan 8.380 nan 0.000 0.434 475 Q N 0.450 120.278 119.800 0.046 0.000 1.994 475 Q HA -0.032 4.308 4.340 -0.000 0.000 0.198 475 Q C 1.865 177.974 176.000 0.182 0.000 0.976 475 Q CA 0.929 56.803 55.803 0.120 0.000 0.828 475 Q CB -0.071 28.658 28.738 -0.015 0.000 0.894 475 Q HN 0.285 nan 8.270 nan 0.000 0.432 476 K N 0.588 121.069 120.400 0.135 0.000 2.113 476 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 476 K C 2.281 178.948 176.600 0.112 0.000 1.047 476 K CA 1.777 58.140 56.287 0.126 0.000 0.928 476 K CB -0.419 32.135 32.500 0.090 0.000 0.716 476 K HN 0.378 nan 8.250 nan 0.000 0.446 477 T N -0.735 113.879 114.554 0.100 0.000 2.977 477 T HA -0.120 4.230 4.350 -0.000 0.000 0.271 477 T C 1.773 176.541 174.700 0.114 0.000 1.105 477 T CA 0.878 63.036 62.100 0.098 0.000 1.116 477 T CB 0.051 68.970 68.868 0.084 0.000 0.878 477 T HN 0.086 nan 8.240 nan 0.000 0.509 478 Q N -0.350 119.526 119.800 0.126 0.000 2.339 478 Q HA 0.313 4.653 4.340 -0.000 0.000 0.205 478 Q C 1.992 178.062 176.000 0.115 0.000 0.925 478 Q CA 0.356 56.237 55.803 0.130 0.000 0.898 478 Q CB -0.013 28.815 28.738 0.150 0.000 1.013 478 Q HN 0.444 nan 8.270 nan 0.000 0.504 479 L N 0.513 121.806 121.223 0.116 0.000 2.375 479 L HA -0.025 4.315 4.340 -0.000 0.000 0.215 479 L C 2.169 179.096 176.870 0.094 0.000 1.108 479 L CA 1.240 56.124 54.840 0.073 0.000 0.830 479 L CB 0.046 42.145 42.059 0.066 0.000 0.959 479 L HN 0.054 nan 8.230 nan 0.000 0.457 480 Q N -0.760 119.113 119.800 0.121 0.000 2.163 480 Q HA 0.036 4.376 4.340 -0.000 0.000 0.198 480 Q C 2.154 178.265 176.000 0.184 0.000 0.954 480 Q CA 1.385 57.286 55.803 0.164 0.000 0.851 480 Q CB -0.091 28.730 28.738 0.138 0.000 0.928 480 Q HN 0.470 nan 8.270 nan 0.000 0.459 481 A N 0.033 122.944 122.820 0.152 0.000 2.015 481 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 481 A C 1.927 179.600 177.584 0.148 0.000 1.163 481 A CA 1.097 53.235 52.037 0.168 0.000 0.646 481 A CB -0.519 18.579 19.000 0.163 0.000 0.806 481 A HN 0.474 nan 8.150 nan 0.000 0.448 482 I N -2.169 118.467 120.570 0.110 0.000 2.716 482 I HA -0.119 4.051 4.170 -0.000 0.000 0.259 482 I C 2.300 178.451 176.117 0.056 0.000 1.172 482 I CA 0.704 62.032 61.300 0.047 0.000 1.478 482 I CB -0.202 37.812 38.000 0.023 0.000 1.104 482 I HN 0.484 nan 8.210 nan 0.000 0.439 483 Y N 1.868 122.149 120.300 -0.031 0.000 2.242 483 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 483 Y C 2.153 178.027 175.900 -0.043 0.000 1.137 483 Y CA 1.361 59.434 58.100 -0.044 0.000 1.181 483 Y CB -0.386 38.064 38.460 -0.015 0.000 0.989 483 Y HN 0.028 nan 8.280 nan 0.000 0.527 484 L N -0.413 120.767 121.223 -0.072 0.000 1.976 484 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 484 L C 2.765 179.507 176.870 -0.213 0.000 1.071 484 L CA 1.385 56.174 54.840 -0.084 0.000 0.746 484 L CB -1.166 41.028 42.059 0.226 0.000 0.890 484 L HN 0.241 nan 8.230 nan 0.000 0.432 485 A N -0.163 122.480 122.820 -0.295 0.000 2.032 485 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 485 A C 2.208 179.265 177.584 -0.880 0.000 1.165 485 A CA 1.627 53.144 52.037 -0.868 0.000 0.645 485 A CB -0.687 17.952 19.000 -0.601 0.000 0.807 485 A HN 0.432 nan 8.150 nan 0.000 0.453 486 L N -1.362 119.580 121.223 -0.469 0.000 2.209 486 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 486 L C 2.785 179.463 176.870 -0.320 0.000 1.094 486 L CA 0.790 55.418 54.840 -0.353 0.000 0.790 486 L CB -0.486 41.468 42.059 -0.176 0.000 0.932 486 L HN 0.508 nan 8.230 nan 0.000 0.447 487 Q N 0.384 119.969 119.800 -0.358 0.000 1.896 487 Q HA -0.102 4.238 4.340 -0.000 0.000 0.205 487 Q C 0.144 176.040 176.000 -0.173 0.000 0.978 487 Q CA 0.907 56.545 55.803 -0.275 0.000 0.850 487 Q CB -0.267 28.266 28.738 -0.343 0.000 0.908 487 Q HN 0.441 nan 8.270 nan 0.000 0.431 488 D N 1.531 121.864 120.400 -0.111 0.000 2.662 488 D HA 0.109 4.749 4.640 -0.000 0.000 0.228 488 D C -0.425 175.883 176.300 0.013 0.000 1.093 488 D CA 0.275 54.287 54.000 0.020 0.000 1.075 488 D CB 0.117 41.024 40.800 0.178 0.000 1.122 488 D HN -0.027 nan 8.370 nan 0.000 0.475 489 S N -0.372 115.277 115.700 -0.085 0.000 2.537 489 S HA 0.566 5.036 4.470 -0.000 0.000 0.271 489 S C 0.135 174.711 174.600 -0.041 0.000 1.148 489 S CA -0.706 57.437 58.200 -0.096 0.000 0.868 489 S CB 1.567 64.408 63.200 -0.598 0.000 1.115 489 S HN 0.275 nan 8.310 nan 0.000 0.461 490 G N 1.605 110.425 108.800 0.034 0.000 2.653 490 G HA2 0.369 4.329 3.960 -0.000 0.000 0.265 490 G HA3 0.369 4.329 3.960 -0.000 0.000 0.265 490 G C 0.890 175.785 174.900 -0.007 0.000 1.237 490 G CA -0.660 44.453 45.100 0.022 0.000 0.946 490 G HN 0.814 nan 8.290 nan 0.000 0.522 491 L N -0.762 120.463 121.223 0.003 0.000 2.353 491 L HA 0.044 4.384 4.340 -0.000 0.000 0.220 491 L C 0.784 177.657 176.870 0.005 0.000 1.133 491 L CA 1.121 55.961 54.840 0.000 0.000 0.798 491 L CB -0.315 41.749 42.059 0.010 0.000 0.922 491 L HN 0.486 nan 8.230 nan 0.000 0.445 492 E N -0.499 119.710 120.200 0.016 0.000 2.246 492 E HA 0.508 4.858 4.350 -0.000 0.000 0.266 492 E C -1.295 175.328 176.600 0.038 0.000 0.880 492 E CA -0.262 56.154 56.400 0.027 0.000 0.762 492 E CB 3.225 32.945 29.700 0.033 0.000 1.180 492 E HN -0.186 nan 8.360 nan 0.000 0.416 493 V N 3.201 123.137 119.914 0.036 0.000 2.851 493 V HA 0.358 4.478 4.120 -0.000 0.000 0.307 493 V C -1.728 174.416 176.094 0.084 0.000 1.129 493 V CA -0.756 61.578 62.300 0.057 0.000 0.932 493 V CB 2.225 34.017 31.823 -0.053 0.000 1.024 493 V HN 0.632 nan 8.190 nan 0.000 0.426 494 N N 6.364 125.146 118.700 0.137 0.000 2.422 494 N HA 0.568 5.308 4.740 -0.000 0.000 0.266 494 N C -0.861 174.707 175.510 0.098 0.000 1.007 494 N CA -0.118 53.030 53.050 0.163 0.000 0.941 494 N CB 1.958 40.554 38.487 0.182 0.000 1.115 494 N HN 0.615 nan 8.380 nan 0.000 0.492 495 I N 1.668 122.245 120.570 0.013 0.000 2.404 495 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 495 I C -0.344 175.707 176.117 -0.110 0.000 0.992 495 I CA -0.986 60.290 61.300 -0.040 0.000 1.149 495 I CB 1.979 39.933 38.000 -0.077 0.000 1.315 495 I HN -0.017 nan 8.210 nan 0.000 0.446 496 V N 5.062 124.875 119.914 -0.168 0.000 2.326 496 V HA 0.315 4.435 4.120 -0.000 0.000 0.281 496 V C 0.121 176.143 176.094 -0.121 0.000 1.015 496 V CA -0.325 61.835 62.300 -0.233 0.000 0.823 496 V CB 1.518 33.004 31.823 -0.562 0.000 1.009 496 V HN 0.818 nan 8.190 nan 0.000 0.436 497 T N 1.821 116.342 114.554 -0.055 0.000 2.937 497 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 497 T C 0.120 174.778 174.700 -0.069 0.000 1.012 497 T CA -0.288 61.815 62.100 0.006 0.000 0.997 497 T CB 1.607 70.518 68.868 0.072 0.000 1.136 497 T HN 0.830 nan 8.240 nan 0.000 0.551 498 D N 0.002 120.388 120.400 -0.024 0.000 2.582 498 D HA 0.135 4.775 4.640 -0.000 0.000 0.246 498 D C -0.075 176.368 176.300 0.238 0.000 1.334 498 D CA -0.258 53.636 54.000 -0.176 0.000 0.805 498 D CB -0.125 40.576 40.800 -0.165 0.000 1.087 498 D HN 0.254 nan 8.370 nan 0.000 0.499 499 S N 1.099 116.991 115.700 0.320 0.000 2.567 499 S HA 0.075 4.545 4.470 -0.000 0.000 0.262 499 S C 1.160 175.951 174.600 0.318 0.000 1.237 499 S CA -0.489 57.899 58.200 0.313 0.000 1.093 499 S CB 0.964 64.292 63.200 0.212 0.000 1.095 499 S HN 0.216 nan 8.310 nan 0.000 0.489 500 Q N 3.554 123.544 119.800 0.316 0.000 2.173 500 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 500 Q C 1.323 177.336 176.000 0.022 0.000 0.989 500 Q CA 2.050 57.818 55.803 -0.059 0.000 0.872 500 Q CB -0.330 28.282 28.738 -0.209 0.000 0.909 500 Q HN 0.958 nan 8.270 nan 0.000 0.420 501 Y N 0.331 120.640 120.300 0.016 0.000 2.128 501 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 501 Y C 2.074 177.992 175.900 0.030 0.000 1.154 501 Y CA 1.782 59.892 58.100 0.018 0.000 1.149 501 Y CB -0.818 37.663 38.460 0.035 0.000 0.976 501 Y HN 0.215 nan 8.280 nan 0.000 0.505 502 A N 0.116 122.779 122.820 -0.262 0.000 1.898 502 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 502 A C 2.227 179.701 177.584 -0.182 0.000 1.181 502 A CA 1.569 53.423 52.037 -0.306 0.000 0.620 502 A CB -1.261 17.690 19.000 -0.082 0.000 0.819 502 A HN 0.539 nan 8.150 nan 0.000 0.442 503 L N 0.258 121.437 121.223 -0.073 0.000 2.079 503 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 503 L C 2.355 179.182 176.870 -0.071 0.000 1.081 503 L CA 2.276 57.087 54.840 -0.049 0.000 0.752 503 L CB -1.016 41.023 42.059 -0.034 0.000 0.896 503 L HN 0.311 nan 8.230 nan 0.000 0.433 504 G N -0.180 108.560 108.800 -0.101 0.000 2.433 504 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 504 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 504 G C 1.605 176.495 174.900 -0.017 0.000 1.186 504 G CA 1.226 46.289 45.100 -0.063 0.000 0.779 504 G HN 0.470 nan 8.290 nan 0.000 0.543 505 I N 0.600 121.105 120.570 -0.108 0.000 2.127 505 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 505 I C 2.741 178.853 176.117 -0.007 0.000 1.075 505 I CA 1.062 62.315 61.300 -0.079 0.000 1.334 505 I CB -0.308 37.497 38.000 -0.324 0.000 1.040 505 I HN 0.145 nan 8.210 nan 0.000 0.405 506 I N 0.212 120.760 120.570 -0.036 0.000 2.226 506 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 506 I C 2.633 178.832 176.117 0.137 0.000 1.100 506 I CA 1.322 62.654 61.300 0.053 0.000 1.374 506 I CB -0.371 37.630 38.000 0.000 0.000 1.057 506 I HN 0.307 nan 8.210 nan 0.000 0.413 507 Q N 1.033 120.888 119.800 0.093 0.000 2.297 507 Q HA -0.110 4.230 4.340 -0.000 0.000 0.208 507 Q C 1.515 177.632 176.000 0.195 0.000 0.981 507 Q CA 1.360 57.234 55.803 0.118 0.000 0.876 507 Q CB -0.001 28.776 28.738 0.065 0.000 0.921 507 Q HN 0.536 nan 8.270 nan 0.000 0.446 508 A N 0.190 123.157 122.820 0.245 0.000 2.579 508 A HA 0.091 4.411 4.320 -0.000 0.000 0.273 508 A C -0.347 177.428 177.584 0.319 0.000 1.363 508 A CA -0.315 51.944 52.037 0.371 0.000 0.953 508 A CB -0.291 18.985 19.000 0.461 0.000 1.034 508 A HN 0.456 nan 8.150 nan 0.000 0.536 509 Q N 0.213 120.138 119.800 0.208 0.000 2.348 509 Q HA -0.164 4.176 4.340 -0.000 0.000 0.357 509 Q C -2.085 173.906 176.000 -0.015 0.000 1.284 509 Q CA 0.411 56.187 55.803 -0.044 0.000 1.092 509 Q CB -1.425 27.189 28.738 -0.207 0.000 1.316 509 Q HN 0.619 nan 8.270 nan 0.000 0.399 510 P HA -0.016 nan 4.420 nan 0.000 0.276 510 P C -0.344 177.064 177.300 0.180 0.000 1.230 510 P CA 0.198 63.385 63.100 0.145 0.000 0.776 510 P CB 0.959 32.765 31.700 0.177 0.000 0.888 511 D N 1.417 121.897 120.400 0.133 0.000 2.433 511 D HA 0.095 4.735 4.640 -0.000 0.000 0.211 511 D C 0.090 176.436 176.300 0.077 0.000 1.114 511 D CA -0.022 54.070 54.000 0.154 0.000 0.837 511 D CB 0.106 41.012 40.800 0.177 0.000 0.984 511 D HN 0.413 nan 8.370 nan 0.000 0.505 512 K N -1.441 119.010 120.400 0.085 0.000 2.557 512 K HA 0.622 4.942 4.320 -0.000 0.000 0.257 512 K C -1.441 175.224 176.600 0.109 0.000 0.933 512 K CA -0.824 55.501 56.287 0.062 0.000 0.820 512 K CB 2.094 34.620 32.500 0.044 0.000 1.330 512 K HN -0.071 nan 8.250 nan 0.000 0.432 513 S N 0.908 116.672 115.700 0.107 0.000 2.638 513 S HA 0.279 4.749 4.470 -0.000 0.000 0.274 513 S C -0.364 174.323 174.600 0.145 0.000 1.157 513 S CA -0.602 57.722 58.200 0.206 0.000 0.826 513 S CB 2.007 65.353 63.200 0.242 0.000 1.139 513 S HN 0.774 nan 8.310 nan 0.000 0.474 514 E N 0.586 120.891 120.200 0.175 0.000 2.447 514 E HA 0.171 4.521 4.350 -0.000 0.000 0.195 514 E C 0.060 176.721 176.600 0.102 0.000 1.028 514 E CA -0.035 56.420 56.400 0.092 0.000 0.876 514 E CB 0.565 30.290 29.700 0.042 0.000 0.885 514 E HN 0.397 nan 8.360 nan 0.000 0.500 515 S N 0.405 116.203 115.700 0.163 0.000 2.586 515 S HA 0.036 4.506 4.470 -0.000 0.000 0.274 515 S C 0.889 175.509 174.600 0.034 0.000 1.281 515 S CA -0.418 57.851 58.200 0.115 0.000 1.035 515 S CB 1.385 64.678 63.200 0.156 0.000 0.962 515 S HN 0.072 nan 8.310 nan 0.000 0.512 516 E N 3.507 123.709 120.200 0.003 0.000 2.076 516 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 516 E C 1.760 178.299 176.600 -0.101 0.000 0.979 516 E CA 1.156 57.533 56.400 -0.039 0.000 0.807 516 E CB -0.312 29.370 29.700 -0.031 0.000 0.761 516 E HN 0.742 nan 8.360 nan 0.000 0.454 517 L N -0.211 120.948 121.223 -0.107 0.000 1.976 517 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 517 L C 2.286 179.025 176.870 -0.219 0.000 1.071 517 L CA 1.357 56.076 54.840 -0.202 0.000 0.746 517 L CB -0.411 41.578 42.059 -0.116 0.000 0.890 517 L HN 0.112 nan 8.230 nan 0.000 0.432 518 V N 0.323 120.155 119.914 -0.137 0.000 2.439 518 V HA -0.357 3.763 4.120 -0.000 0.000 0.253 518 V C 2.144 178.166 176.094 -0.120 0.000 1.074 518 V CA 1.999 64.210 62.300 -0.149 0.000 1.076 518 V CB -0.819 30.887 31.823 -0.196 0.000 0.664 518 V HN 0.533 nan 8.190 nan 0.000 0.461 519 N N -0.566 118.075 118.700 -0.099 0.000 2.354 519 N HA -0.104 4.636 4.740 -0.000 0.000 0.179 519 N C 1.924 177.363 175.510 -0.119 0.000 1.021 519 N CA 0.947 53.950 53.050 -0.078 0.000 0.887 519 N CB -0.028 38.426 38.487 -0.055 0.000 0.974 519 N HN 0.642 nan 8.380 nan 0.000 0.437 520 Q N 0.714 120.387 119.800 -0.211 0.000 2.020 520 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 520 Q C 2.080 177.953 176.000 -0.212 0.000 0.974 520 Q CA 0.776 56.404 55.803 -0.291 0.000 0.829 520 Q CB -0.069 28.268 28.738 -0.669 0.000 0.894 520 Q HN 0.353 nan 8.270 nan 0.000 0.433 521 I N 0.822 121.244 120.570 -0.246 0.000 2.623 521 I HA -0.276 3.894 4.170 -0.000 0.000 0.261 521 I C 2.021 178.080 176.117 -0.096 0.000 1.204 521 I CA 0.982 62.233 61.300 -0.082 0.000 1.444 521 I CB -0.259 37.686 38.000 -0.092 0.000 1.094 521 I HN 0.226 nan 8.210 nan 0.000 0.451 522 I N 0.408 120.920 120.570 -0.097 0.000 2.339 522 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 522 I C 2.407 178.473 176.117 -0.085 0.000 1.096 522 I CA 1.023 62.270 61.300 -0.088 0.000 1.408 522 I CB -0.226 37.774 38.000 0.001 0.000 1.092 522 I HN 0.194 nan 8.210 nan 0.000 0.423 523 E N 0.615 120.786 120.200 -0.049 0.000 2.033 523 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 523 E C 2.135 178.717 176.600 -0.030 0.000 1.011 523 E CA 1.213 57.596 56.400 -0.028 0.000 0.815 523 E CB -0.251 29.444 29.700 -0.008 0.000 0.755 523 E HN 0.423 nan 8.360 nan 0.000 0.451 524 Q N 0.792 120.585 119.800 -0.013 0.000 1.978 524 Q HA -0.219 4.121 4.340 -0.000 0.000 0.211 524 Q C 2.538 178.478 176.000 -0.100 0.000 1.013 524 Q CA 1.519 57.304 55.803 -0.031 0.000 0.869 524 Q CB -0.920 27.817 28.738 -0.000 0.000 0.953 524 Q HN 0.379 nan 8.270 nan 0.000 0.415 525 L N 0.226 121.328 121.223 -0.201 0.000 2.089 525 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 525 L C 2.362 179.089 176.870 -0.239 0.000 1.079 525 L CA 1.074 55.695 54.840 -0.365 0.000 0.758 525 L CB -0.529 41.018 42.059 -0.853 0.000 0.891 525 L HN 0.233 nan 8.230 nan 0.000 0.433 526 I N -0.938 119.565 120.570 -0.112 0.000 3.291 526 I HA -0.182 3.988 4.170 -0.000 0.000 0.279 526 I C 2.113 178.272 176.117 0.070 0.000 1.294 526 I CA 0.898 62.246 61.300 0.079 0.000 1.428 526 I CB -0.182 37.907 38.000 0.149 0.000 1.070 526 I HN 0.220 nan 8.210 nan 0.000 0.478 527 K N 0.260 120.667 120.400 0.013 0.000 2.276 527 K HA 0.089 4.409 4.320 -0.000 0.000 0.198 527 K C 0.733 177.339 176.600 0.010 0.000 1.052 527 K CA 0.066 56.364 56.287 0.018 0.000 0.984 527 K CB 0.399 32.900 32.500 0.002 0.000 0.836 527 K HN -0.018 nan 8.250 nan 0.000 0.490 528 K N 1.263 121.655 120.400 -0.013 0.000 2.187 528 K HA -0.004 4.316 4.320 -0.000 0.000 0.247 528 K C 0.581 177.193 176.600 0.019 0.000 1.019 528 K CA 0.669 56.949 56.287 -0.011 0.000 0.893 528 K CB 0.450 32.928 32.500 -0.038 0.000 1.025 528 K HN 0.111 nan 8.250 nan 0.000 0.500 529 E N 0.238 120.452 120.200 0.023 0.000 2.514 529 E HA 0.095 4.445 4.350 -0.000 0.000 0.215 529 E C -0.562 176.064 176.600 0.043 0.000 0.946 529 E CA 0.207 56.629 56.400 0.037 0.000 1.038 529 E CB 0.697 30.416 29.700 0.031 0.000 1.069 529 E HN 0.255 nan 8.360 nan 0.000 0.503 530 K N 1.074 121.497 120.400 0.039 0.000 2.635 530 K HA 0.297 4.617 4.320 -0.000 0.000 0.266 530 K C -1.671 174.963 176.600 0.056 0.000 1.033 530 K CA -0.262 56.058 56.287 0.054 0.000 0.919 530 K CB 2.544 35.072 32.500 0.048 0.000 1.289 530 K HN -0.184 nan 8.250 nan 0.000 0.463 531 V N 3.142 123.101 119.914 0.074 0.000 2.588 531 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 531 V C -1.231 174.945 176.094 0.136 0.000 1.042 531 V CA -0.955 61.383 62.300 0.063 0.000 0.877 531 V CB 1.494 33.319 31.823 0.002 0.000 0.996 531 V HN 0.658 nan 8.190 nan 0.000 0.425 532 Y N 5.069 125.371 120.300 0.003 0.000 2.350 532 Y HA 0.724 5.274 4.550 -0.000 0.000 0.338 532 Y C -1.044 174.859 175.900 0.005 0.000 0.961 532 Y CA -1.009 57.098 58.100 0.012 0.000 1.100 532 Y CB 1.610 40.075 38.460 0.009 0.000 1.179 532 Y HN 0.608 nan 8.280 nan 0.000 0.454 533 L N 6.069 126.871 121.223 -0.701 0.000 2.333 533 L HA 0.901 5.241 4.340 -0.000 0.000 0.280 533 L C -0.900 175.547 176.870 -0.704 0.000 1.004 533 L CA -0.627 53.910 54.840 -0.506 0.000 0.820 533 L CB 1.286 43.208 42.059 -0.228 0.000 1.247 533 L HN 0.869 nan 8.230 nan 0.000 0.416 534 A N 3.812 126.377 122.820 -0.426 0.000 2.430 534 A HA 0.702 5.022 4.320 -0.000 0.000 0.300 534 A C -2.169 175.433 177.584 0.030 0.000 1.124 534 A CA -0.502 51.419 52.037 -0.192 0.000 0.766 534 A CB 1.604 20.569 19.000 -0.059 0.000 1.328 534 A HN 0.774 nan 8.150 nan 0.000 0.424 535 W N 0.551 121.803 121.300 -0.080 0.000 2.844 535 W HA 0.617 5.277 4.660 -0.000 0.000 0.340 535 W C -1.266 175.252 176.519 -0.003 0.000 1.093 535 W CA -0.452 56.869 57.345 -0.039 0.000 1.212 535 W CB 2.013 31.453 29.460 -0.033 0.000 1.422 535 W HN 1.015 nan 8.180 nan 0.000 0.515 536 V N 2.356 121.638 119.914 -1.053 0.000 3.012 536 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 536 V C -2.819 172.304 176.094 -1.618 0.000 1.166 536 V CA -2.973 58.712 62.300 -1.024 0.000 0.974 536 V CB 1.526 33.110 31.823 -0.398 0.000 1.040 536 V HN 0.495 nan 8.190 nan 0.000 0.428 537 P HA 0.217 nan 4.420 nan 0.000 0.260 537 P C 0.111 177.225 177.300 -0.310 0.000 1.172 537 P CA 0.892 63.614 63.100 -0.631 0.000 0.760 537 P CB 0.300 31.873 31.700 -0.212 0.000 0.773 538 A N 3.717 126.453 122.820 -0.140 0.000 2.462 538 A HA 0.041 4.361 4.320 -0.000 0.000 0.243 538 A C 0.407 178.034 177.584 0.072 0.000 1.076 538 A CA -0.136 51.880 52.037 -0.035 0.000 0.773 538 A CB -0.918 18.051 19.000 -0.052 0.000 1.010 538 A HN 0.787 nan 8.150 nan 0.000 0.493 539 H N -0.022 119.036 119.070 -0.020 0.000 2.218 539 H HA -0.191 4.365 4.556 -0.000 0.000 0.330 539 H C 0.681 176.003 175.328 -0.009 0.000 0.962 539 H CA 0.982 57.025 56.048 -0.009 0.000 1.101 539 H CB -0.496 29.271 29.762 0.007 0.000 1.548 539 H HN 0.623 nan 8.280 nan 0.000 0.372 540 K N 0.368 120.818 120.400 0.083 0.000 2.387 540 K HA 0.194 4.514 4.320 -0.000 0.000 0.203 540 K C 0.725 177.335 176.600 0.016 0.000 1.030 540 K CA 0.625 56.936 56.287 0.039 0.000 1.099 540 K CB 0.788 33.298 32.500 0.016 0.000 0.863 540 K HN 0.517 nan 8.250 nan 0.000 0.529 541 G N 2.028 110.833 108.800 0.009 0.000 2.587 541 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.274 541 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.274 541 G C -0.537 174.354 174.900 -0.015 0.000 1.046 541 G CA 0.015 45.108 45.100 -0.012 0.000 1.308 541 G HN 0.130 nan 8.290 nan 0.000 0.529 542 I N 0.455 121.015 120.570 -0.016 0.000 2.646 542 I HA 0.540 4.710 4.170 -0.000 0.000 0.299 542 I C 1.258 177.370 176.117 -0.009 0.000 1.036 542 I CA -0.482 60.813 61.300 -0.009 0.000 1.074 542 I CB 1.580 39.573 38.000 -0.011 0.000 1.258 542 I HN 0.512 nan 8.210 nan 0.000 0.430 543 G N 2.643 111.439 108.800 -0.006 0.000 2.239 543 G HA2 0.344 4.304 3.960 -0.000 0.000 0.278 543 G HA3 0.344 4.304 3.960 -0.000 0.000 0.278 543 G C 0.869 175.712 174.900 -0.096 0.000 1.071 543 G CA 0.884 45.957 45.100 -0.045 0.000 1.198 543 G HN 1.212 nan 8.290 nan 0.000 0.410 544 G N 2.840 111.481 108.800 -0.265 0.000 2.953 544 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.201 544 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.201 544 G C 1.508 176.304 174.900 -0.175 0.000 1.501 544 G CA 0.681 45.377 45.100 -0.673 0.000 1.094 544 G HN 0.748 nan 8.290 nan 0.000 0.555 545 N N 1.763 120.524 118.700 0.101 0.000 2.120 545 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 545 N C 1.877 177.394 175.510 0.011 0.000 1.024 545 N CA 2.208 55.324 53.050 0.110 0.000 0.852 545 N CB -0.218 38.316 38.487 0.080 0.000 1.003 545 N HN 0.724 nan 8.380 nan 0.000 0.424 546 E N 0.305 120.484 120.200 -0.036 0.000 2.023 546 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 546 E C 1.967 178.514 176.600 -0.089 0.000 1.003 546 E CA 1.160 57.515 56.400 -0.075 0.000 0.809 546 E CB -0.236 29.423 29.700 -0.069 0.000 0.755 546 E HN 0.338 nan 8.360 nan 0.000 0.449 547 Q N 0.746 120.487 119.800 -0.099 0.000 2.014 547 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 547 Q C 2.310 178.267 176.000 -0.073 0.000 0.993 547 Q CA 2.240 57.983 55.803 -0.100 0.000 0.850 547 Q CB -0.477 28.177 28.738 -0.141 0.000 0.916 547 Q HN 0.323 nan 8.270 nan 0.000 0.417 548 V N 1.728 121.613 119.914 -0.047 0.000 2.295 548 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 548 V C 2.354 178.445 176.094 -0.005 0.000 1.049 548 V CA 2.103 64.407 62.300 0.007 0.000 1.024 548 V CB -0.971 30.908 31.823 0.093 0.000 0.648 548 V HN 0.396 nan 8.190 nan 0.000 0.447 549 D N 0.217 120.603 120.400 -0.024 0.000 2.172 549 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 549 D C 2.056 178.285 176.300 -0.119 0.000 0.999 549 D CA 1.530 55.474 54.000 -0.092 0.000 0.856 549 D CB -0.085 40.568 40.800 -0.245 0.000 0.934 549 D HN 0.259 nan 8.370 nan 0.000 0.453 550 K N -0.215 120.125 120.400 -0.100 0.000 1.985 550 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 550 K C 2.029 178.595 176.600 -0.057 0.000 1.047 550 K CA 1.384 57.621 56.287 -0.084 0.000 0.932 550 K CB -0.659 31.797 32.500 -0.074 0.000 0.716 550 K HN 0.317 nan 8.250 nan 0.000 0.439 551 L N -1.446 119.749 121.223 -0.046 0.000 2.552 551 L HA 0.097 4.437 4.340 -0.000 0.000 0.227 551 L C 1.662 178.518 176.870 -0.024 0.000 1.146 551 L CA 0.853 55.671 54.840 -0.037 0.000 0.858 551 L CB -0.790 41.243 42.059 -0.043 0.000 0.969 551 L HN -0.150 nan 8.230 nan 0.000 0.451 552 V N 0.066 119.971 119.914 -0.014 0.000 2.379 552 V HA -0.065 4.055 4.120 -0.000 0.000 0.243 552 V C 2.258 178.365 176.094 0.021 0.000 1.035 552 V CA 1.650 63.959 62.300 0.014 0.000 1.035 552 V CB -0.232 31.620 31.823 0.048 0.000 0.673 552 V HN 0.720 nan 8.190 nan 0.000 0.457 553 S N 0.075 115.776 115.700 0.002 0.000 2.557 553 S HA 0.411 4.881 4.470 -0.000 0.000 0.223 553 S C 0.891 175.488 174.600 -0.005 0.000 0.969 553 S CA 0.253 58.461 58.200 0.013 0.000 0.927 553 S CB 0.176 63.386 63.200 0.016 0.000 0.806 553 S HN 0.410 nan 8.310 nan 0.000 0.489 554 A N 1.769 124.579 122.820 -0.017 0.000 2.475 554 A HA 0.618 4.938 4.320 -0.000 0.000 0.293 554 A C 1.128 178.708 177.584 -0.007 0.000 1.252 554 A CA 0.175 52.201 52.037 -0.018 0.000 0.920 554 A CB -1.261 17.724 19.000 -0.025 0.000 1.125 554 A HN 1.551 nan 8.150 nan 0.000 0.528 555 G N 0.175 108.974 108.800 -0.002 0.000 2.750 555 G HA2 0.414 4.374 3.960 -0.000 0.000 0.686 555 G HA3 0.414 4.374 3.960 -0.000 0.000 0.686 555 G C 0.484 175.389 174.900 0.008 0.000 1.395 555 G CA -0.041 45.060 45.100 0.002 0.000 0.918 555 G HN 2.687 nan 8.290 nan 0.000 0.594 556 I N -2.606 117.971 120.570 0.011 0.000 6.835 556 I HA 0.465 4.635 4.170 -0.000 0.000 0.126 556 I C 0.983 177.115 176.117 0.025 0.000 1.824 556 I CA 3.181 64.491 61.300 0.016 0.000 2.065 556 I CB -2.599 35.410 38.000 0.015 0.000 3.539 556 I HN 3.073 nan 8.210 nan 0.000 0.178 557 R N 0.000 120.516 120.500 0.026 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 557 R CA 0.000 56.123 56.100 0.037 0.000 0.921 557 R CB 0.000 30.328 30.300 0.046 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535