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 1r0a_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 SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 0.000 177.338 177.300 0.063 0.000 1.155 1 P CA 0.000 63.124 63.100 0.040 0.000 0.800 1 P CB 0.000 31.708 31.700 0.013 0.000 0.726 2 I N 0.292 120.894 120.570 0.054 0.000 2.385 2 I HA 0.355 4.525 4.170 -0.000 0.000 0.294 2 I C 0.922 177.082 176.117 0.072 0.000 0.988 2 I CA -0.454 60.891 61.300 0.075 0.000 1.265 2 I CB 1.323 39.358 38.000 0.058 0.000 1.388 2 I HN 0.452 nan 8.210 nan 0.000 0.480 3 S N 7.080 122.849 115.700 0.115 0.000 2.573 3 S HA 0.191 4.661 4.470 -0.000 0.000 0.277 3 S C -1.894 172.780 174.600 0.123 0.000 1.346 3 S CA -0.469 57.818 58.200 0.144 0.000 1.034 3 S CB 0.482 63.803 63.200 0.202 0.000 0.879 3 S HN 0.418 nan 8.310 nan 0.000 0.528 4 P HA 0.354 nan 4.420 nan 0.000 0.259 4 P C -0.524 176.944 177.300 0.282 0.000 1.530 4 P CA -0.170 62.980 63.100 0.083 0.000 1.022 4 P CB -0.131 31.481 31.700 -0.147 0.000 1.514 5 I N -0.294 120.495 120.570 0.365 0.000 2.779 5 I HA 0.082 4.252 4.170 -0.000 0.000 0.285 5 I C 1.171 177.384 176.117 0.159 0.000 1.134 5 I CA -0.570 60.911 61.300 0.303 0.000 1.398 5 I CB 0.475 38.542 38.000 0.112 0.000 1.404 5 I HN 0.024 nan 8.210 nan 0.000 0.587 6 E N 3.540 123.810 120.200 0.118 0.000 2.415 6 E HA 0.028 4.378 4.350 -0.000 0.000 0.262 6 E C -0.386 176.248 176.600 0.056 0.000 1.038 6 E CA -0.447 56.000 56.400 0.078 0.000 0.921 6 E CB 0.824 30.561 29.700 0.061 0.000 0.950 6 E HN 0.693 nan 8.360 nan 0.000 0.438 7 T N 0.161 114.748 114.554 0.055 0.000 2.909 7 T HA 0.284 4.634 4.350 -0.000 0.000 0.289 7 T C 0.061 174.790 174.700 0.047 0.000 1.005 7 T CA -0.981 61.149 62.100 0.050 0.000 1.084 7 T CB 1.261 70.163 68.868 0.057 0.000 0.975 7 T HN 0.191 nan 8.240 nan 0.000 0.509 8 V N 5.419 125.359 119.914 0.044 0.000 2.508 8 V HA 0.289 4.409 4.120 -0.000 0.000 0.281 8 V C -1.915 174.227 176.094 0.080 0.000 1.041 8 V CA -1.622 60.709 62.300 0.053 0.000 1.016 8 V CB 0.446 32.294 31.823 0.042 0.000 0.984 8 V HN 0.853 nan 8.190 nan 0.000 0.478 9 P HA 0.227 nan 4.420 nan 0.000 0.271 9 P C -0.823 176.541 177.300 0.106 0.000 1.226 9 P CA 0.053 63.209 63.100 0.093 0.000 0.765 9 P CB 0.658 32.404 31.700 0.076 0.000 0.835 10 V N 4.652 124.628 119.914 0.102 0.000 2.604 10 V HA 0.419 4.539 4.120 -0.000 0.000 0.305 10 V C 0.319 176.492 176.094 0.131 0.000 1.043 10 V CA -0.532 61.780 62.300 0.020 0.000 0.888 10 V CB 1.942 33.627 31.823 -0.231 0.000 0.995 10 V HN 0.450 nan 8.190 nan 0.000 0.429 11 K N 3.041 123.496 120.400 0.092 0.000 2.313 11 K HA 0.765 5.085 4.320 -0.000 0.000 0.235 11 K C -1.169 175.561 176.600 0.217 0.000 1.035 11 K CA -0.864 55.545 56.287 0.203 0.000 0.868 11 K CB 2.085 34.632 32.500 0.077 0.000 1.232 11 K HN 0.410 nan 8.250 nan 0.000 0.459 12 L N 1.319 122.631 121.223 0.147 0.000 2.387 12 L HA 0.379 4.719 4.340 -0.000 0.000 0.266 12 L C 0.174 177.037 176.870 -0.011 0.000 1.059 12 L CA -0.831 54.034 54.840 0.041 0.000 0.801 12 L CB 0.899 42.856 42.059 -0.169 0.000 1.223 12 L HN 0.402 nan 8.230 nan 0.000 0.456 13 K N 1.146 121.527 120.400 -0.032 0.000 2.440 13 K HA 0.094 4.414 4.320 -0.000 0.000 0.270 13 K C -2.271 174.313 176.600 -0.027 0.000 0.980 13 K CA -1.329 54.934 56.287 -0.041 0.000 0.953 13 K CB -0.189 32.289 32.500 -0.036 0.000 0.925 13 K HN 0.247 nan 8.250 nan 0.000 0.497 14 P HA -0.100 nan 4.420 nan 0.000 0.262 14 P C 0.530 177.827 177.300 -0.006 0.000 1.182 14 P CA 1.025 64.120 63.100 -0.009 0.000 0.761 14 P CB 0.404 32.099 31.700 -0.009 0.000 0.795 15 G N 1.964 110.765 108.800 0.002 0.000 2.184 15 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 15 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 15 G C 0.140 175.042 174.900 0.003 0.000 0.975 15 G CA -0.018 45.085 45.100 0.006 0.000 0.642 15 G HN 0.463 nan 8.290 nan 0.000 0.536 16 M N 0.196 119.789 119.600 -0.010 0.000 2.472 16 M HA 0.538 5.018 4.480 -0.000 0.000 0.331 16 M C -0.112 176.162 176.300 -0.044 0.000 1.170 16 M CA -0.738 54.549 55.300 -0.021 0.000 1.009 16 M CB 1.558 34.138 32.600 -0.033 0.000 1.672 16 M HN 0.155 nan 8.290 nan 0.000 0.453 17 D N 0.555 120.939 120.400 -0.026 0.000 2.494 17 D HA 0.571 5.211 4.640 -0.000 0.000 0.259 17 D C -0.070 176.148 176.300 -0.136 0.000 1.109 17 D CA -0.146 53.842 54.000 -0.020 0.000 1.040 17 D CB 1.375 42.249 40.800 0.123 0.000 1.175 17 D HN 0.661 nan 8.370 nan 0.000 0.584 18 G N -0.249 108.425 108.800 -0.210 0.000 2.667 18 G HA2 0.340 4.299 3.960 -0.000 0.000 0.250 18 G HA3 0.340 4.299 3.960 -0.000 0.000 0.250 18 G C -2.209 172.704 174.900 0.022 0.000 1.212 18 G CA -0.864 43.949 45.100 -0.479 0.000 0.874 18 G HN 0.460 nan 8.290 nan 0.000 0.561 19 P HA 0.227 nan 4.420 nan 0.000 0.276 19 P C -0.949 176.495 177.300 0.240 0.000 1.243 19 P CA -0.003 63.175 63.100 0.130 0.000 0.768 19 P CB 0.945 32.712 31.700 0.111 0.000 0.856 20 K N 2.793 123.294 120.400 0.168 0.000 2.682 20 K HA 0.365 4.685 4.320 -0.000 0.000 0.189 20 K C -0.650 175.978 176.600 0.048 0.000 1.062 20 K CA -0.632 55.726 56.287 0.118 0.000 0.997 20 K CB 1.159 33.708 32.500 0.082 0.000 1.405 20 K HN 0.236 nan 8.250 nan 0.000 0.588 21 V N 3.593 123.521 119.914 0.024 0.000 2.427 21 V HA 0.169 4.289 4.120 -0.000 0.000 0.286 21 V C 0.256 176.292 176.094 -0.097 0.000 1.034 21 V CA -1.056 61.225 62.300 -0.031 0.000 0.893 21 V CB 1.332 33.128 31.823 -0.046 0.000 0.982 21 V HN 0.508 nan 8.190 nan 0.000 0.452 22 K N 3.514 123.850 120.400 -0.107 0.000 2.355 22 K HA 0.189 4.509 4.320 -0.000 0.000 0.270 22 K C -0.359 176.043 176.600 -0.330 0.000 1.003 22 K CA -0.474 55.726 56.287 -0.146 0.000 0.957 22 K CB 0.779 33.236 32.500 -0.072 0.000 0.939 22 K HN 0.600 nan 8.250 nan 0.000 0.482 23 Q N 3.414 123.029 119.800 -0.309 0.000 2.331 23 Q HA 0.174 4.514 4.340 -0.000 0.000 0.257 23 Q C -0.891 174.938 176.000 -0.286 0.000 0.957 23 Q CA -0.372 55.152 55.803 -0.464 0.000 0.923 23 Q CB 0.536 29.125 28.738 -0.247 0.000 1.212 23 Q HN 0.579 nan 8.270 nan 0.000 0.443 24 W N 4.213 125.502 121.300 -0.019 0.000 2.112 24 W HA 0.316 4.976 4.660 -0.000 0.000 0.349 24 W C -2.145 174.382 176.519 0.013 0.000 1.289 24 W CA -1.900 55.440 57.345 -0.008 0.000 1.256 24 W CB -0.678 28.771 29.460 -0.018 0.000 1.148 24 W HN 0.504 nan 8.180 nan 0.000 0.590 25 P HA 0.298 nan 4.420 nan 0.000 0.274 25 P C -0.460 176.956 177.300 0.194 0.000 1.246 25 P CA -0.126 63.075 63.100 0.169 0.000 0.795 25 P CB 0.729 32.496 31.700 0.112 0.000 1.006 26 L N -0.401 120.904 121.223 0.136 0.000 2.350 26 L HA 0.486 4.826 4.340 -0.000 0.000 0.260 26 L C 0.552 177.456 176.870 0.057 0.000 1.015 26 L CA -1.032 53.880 54.840 0.121 0.000 0.821 26 L CB 2.033 44.170 42.059 0.131 0.000 1.370 26 L HN 0.335 nan 8.230 nan 0.000 0.416 27 T N -2.729 111.848 114.554 0.037 0.000 2.932 27 T HA -0.017 4.333 4.350 -0.000 0.000 0.312 27 T C 0.956 175.640 174.700 -0.026 0.000 1.071 27 T CA 0.019 62.126 62.100 0.012 0.000 1.128 27 T CB 0.969 69.849 68.868 0.020 0.000 0.984 27 T HN 0.831 nan 8.240 nan 0.000 0.549 28 E N 0.999 121.189 120.200 -0.017 0.000 2.219 28 E HA -0.248 4.102 4.350 -0.000 0.000 0.198 28 E C 1.847 178.408 176.600 -0.066 0.000 0.998 28 E CA 1.694 58.076 56.400 -0.029 0.000 0.818 28 E CB -0.020 29.673 29.700 -0.012 0.000 0.741 28 E HN 0.919 nan 8.360 nan 0.000 0.477 29 E N 0.502 120.654 120.200 -0.079 0.000 2.046 29 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 29 E C 1.889 178.280 176.600 -0.348 0.000 0.982 29 E CA 0.894 57.211 56.400 -0.138 0.000 0.800 29 E CB 0.077 29.748 29.700 -0.049 0.000 0.756 29 E HN 0.133 nan 8.360 nan 0.000 0.449 30 K N 0.462 120.624 120.400 -0.397 0.000 2.063 30 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 30 K C 2.290 178.678 176.600 -0.353 0.000 1.048 30 K CA 1.497 57.423 56.287 -0.601 0.000 0.928 30 K CB -0.156 32.157 32.500 -0.312 0.000 0.713 30 K HN 0.257 nan 8.250 nan 0.000 0.442 31 I N 1.009 121.475 120.570 -0.174 0.000 2.113 31 I HA -0.289 3.881 4.170 -0.000 0.000 0.238 31 I C 2.375 178.436 176.117 -0.093 0.000 1.070 31 I CA 1.154 62.403 61.300 -0.085 0.000 1.332 31 I CB -0.241 37.736 38.000 -0.037 0.000 1.044 31 I HN 0.042 nan 8.210 nan 0.000 0.402 32 K N 1.362 121.699 120.400 -0.106 0.000 2.211 32 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 32 K C 1.933 178.470 176.600 -0.106 0.000 1.047 32 K CA 1.491 57.730 56.287 -0.080 0.000 0.935 32 K CB -0.485 31.976 32.500 -0.066 0.000 0.728 32 K HN 0.357 nan 8.250 nan 0.000 0.452 33 A N 0.507 123.193 122.820 -0.224 0.000 1.845 33 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 33 A C 2.199 179.712 177.584 -0.118 0.000 1.195 33 A CA 1.680 53.550 52.037 -0.278 0.000 0.616 33 A CB -0.781 17.765 19.000 -0.757 0.000 0.832 33 A HN 0.284 nan 8.150 nan 0.000 0.443 34 L N -0.333 120.831 121.223 -0.099 0.000 2.042 34 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 34 L C 2.529 179.427 176.870 0.047 0.000 1.076 34 L CA 1.239 56.089 54.840 0.016 0.000 0.749 34 L CB -0.707 41.390 42.059 0.063 0.000 0.893 34 L HN 0.255 nan 8.230 nan 0.000 0.432 35 V N -0.156 119.777 119.914 0.033 0.000 2.380 35 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 35 V C 2.361 178.484 176.094 0.048 0.000 1.063 35 V CA 1.838 64.172 62.300 0.057 0.000 1.055 35 V CB -0.543 31.299 31.823 0.031 0.000 0.657 35 V HN 0.474 nan 8.190 nan 0.000 0.455 36 E N 0.095 120.311 120.200 0.026 0.000 1.998 36 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 36 E C 2.182 178.805 176.600 0.039 0.000 1.003 36 E CA 1.769 58.188 56.400 0.032 0.000 0.829 36 E CB -0.301 29.419 29.700 0.033 0.000 0.777 36 E HN 0.514 nan 8.360 nan 0.000 0.460 37 I N 1.117 121.714 120.570 0.046 0.000 2.141 37 I HA -0.444 3.726 4.170 -0.000 0.000 0.243 37 I C 2.641 178.772 176.117 0.023 0.000 1.035 37 I CA 1.254 62.587 61.300 0.054 0.000 1.302 37 I CB -0.760 37.285 38.000 0.076 0.000 1.006 37 I HN 0.300 nan 8.210 nan 0.000 0.413 38 C N 0.290 119.588 119.300 -0.003 0.000 2.432 38 C HA -0.108 4.351 4.460 -0.000 0.000 0.280 38 C C 3.009 177.912 174.990 -0.145 0.000 1.353 38 C CA 1.473 60.402 59.018 -0.149 0.000 1.766 38 C CB -1.228 26.387 27.740 -0.208 0.000 1.924 38 C HN 0.566 nan 8.230 nan 0.000 0.509 39 T N 0.318 114.872 114.554 -0.001 0.000 2.857 39 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 39 T C 1.756 176.464 174.700 0.013 0.000 1.048 39 T CA 1.477 63.602 62.100 0.040 0.000 1.139 39 T CB -0.216 68.687 68.868 0.058 0.000 0.874 39 T HN 0.500 nan 8.240 nan 0.000 0.455 40 E N 1.596 121.803 120.200 0.012 0.000 2.051 40 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 40 E C 2.119 178.724 176.600 0.008 0.000 0.991 40 E CA 1.335 57.748 56.400 0.022 0.000 0.799 40 E CB -0.409 29.314 29.700 0.039 0.000 0.748 40 E HN 0.435 nan 8.360 nan 0.000 0.449 41 M N 0.076 119.664 119.600 -0.020 0.000 2.117 41 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 41 M C 2.370 178.606 176.300 -0.105 0.000 1.065 41 M CA 1.739 57.005 55.300 -0.057 0.000 1.114 41 M CB -0.305 32.228 32.600 -0.112 0.000 1.361 41 M HN 0.203 nan 8.290 nan 0.000 0.408 42 E N 0.570 120.696 120.200 -0.123 0.000 2.106 42 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 42 E C 1.916 178.510 176.600 -0.010 0.000 0.984 42 E CA 1.191 57.556 56.400 -0.060 0.000 0.806 42 E CB 0.107 29.840 29.700 0.055 0.000 0.750 42 E HN 0.369 nan 8.360 nan 0.000 0.458 43 K N 0.309 120.709 120.400 0.000 0.000 2.217 43 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 43 K C 1.469 178.074 176.600 0.009 0.000 1.051 43 K CA 1.065 57.359 56.287 0.011 0.000 0.952 43 K CB 0.182 32.693 32.500 0.018 0.000 0.736 43 K HN 0.111 nan 8.250 nan 0.000 0.453 44 E N -1.040 119.163 120.200 0.006 0.000 2.489 44 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 44 E C 0.707 177.310 176.600 0.004 0.000 1.057 44 E CA 0.377 56.787 56.400 0.017 0.000 0.866 44 E CB 0.482 30.208 29.700 0.043 0.000 0.916 44 E HN 0.537 nan 8.360 nan 0.000 0.500 45 G N 1.798 110.588 108.800 -0.018 0.000 2.199 45 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 45 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 45 G C 1.138 176.000 174.900 -0.064 0.000 0.982 45 G CA 0.553 45.637 45.100 -0.025 0.000 0.632 45 G HN 0.094 nan 8.290 nan 0.000 0.529 46 K N 0.210 120.542 120.400 -0.113 0.000 2.097 46 K HA 0.147 4.467 4.320 -0.000 0.000 0.205 46 K C 1.655 178.078 176.600 -0.295 0.000 1.050 46 K CA 1.754 57.897 56.287 -0.240 0.000 0.938 46 K CB -0.245 32.032 32.500 -0.372 0.000 0.718 46 K HN 0.930 nan 8.250 nan 0.000 0.442 47 I N -3.860 116.551 120.570 -0.265 0.000 3.174 47 I HA 0.463 4.633 4.170 -0.000 0.000 0.313 47 I C -0.845 175.228 176.117 -0.074 0.000 1.155 47 I CA -0.989 60.156 61.300 -0.258 0.000 0.977 47 I CB 2.565 40.304 38.000 -0.435 0.000 1.248 47 I HN -0.339 nan 8.210 nan 0.000 0.453 48 S N 0.993 116.718 115.700 0.040 0.000 2.536 48 S HA 0.394 4.864 4.470 -0.000 0.000 0.271 48 S C -0.916 173.771 174.600 0.144 0.000 1.134 48 S CA -0.788 57.471 58.200 0.100 0.000 0.897 48 S CB 2.013 65.226 63.200 0.021 0.000 1.094 48 S HN 0.651 nan 8.310 nan 0.000 0.473 49 K N 2.395 122.817 120.400 0.036 0.000 2.436 49 K HA 0.335 4.655 4.320 -0.000 0.000 0.275 49 K C -0.206 176.306 176.600 -0.147 0.000 0.999 49 K CA -0.120 56.036 56.287 -0.219 0.000 0.980 49 K CB 0.143 32.480 32.500 -0.271 0.000 0.919 49 K HN 0.620 nan 8.250 nan 0.000 0.484 50 I N -0.104 120.353 120.570 -0.188 0.000 2.863 50 I HA 0.582 4.752 4.170 -0.000 0.000 0.311 50 I C 0.463 176.504 176.117 -0.127 0.000 1.026 50 I CA -1.211 60.014 61.300 -0.125 0.000 1.077 50 I CB 1.752 39.693 38.000 -0.099 0.000 1.262 50 I HN 0.588 nan 8.210 nan 0.000 0.461 51 G N 1.824 110.567 108.800 -0.096 0.000 2.616 51 G HA2 0.399 4.359 3.960 -0.000 0.000 0.268 51 G HA3 0.399 4.359 3.960 -0.000 0.000 0.268 51 G C -1.546 173.298 174.900 -0.093 0.000 1.213 51 G CA -1.047 43.999 45.100 -0.090 0.000 0.926 51 G HN 0.656 nan 8.290 nan 0.000 0.523 52 P HA -0.081 nan 4.420 nan 0.000 0.219 52 P C 1.388 178.635 177.300 -0.088 0.000 1.150 52 P CA 1.008 64.056 63.100 -0.087 0.000 0.814 52 P CB 0.169 31.823 31.700 -0.076 0.000 0.787 53 E N 0.249 120.400 120.200 -0.081 0.000 2.463 53 E HA -0.149 4.201 4.350 -0.000 0.000 0.201 53 E C 0.420 176.953 176.600 -0.112 0.000 1.045 53 E CA 0.482 56.831 56.400 -0.086 0.000 0.872 53 E CB -1.104 28.556 29.700 -0.067 0.000 0.797 53 E HN 0.165 nan 8.360 nan 0.000 0.538 54 N N 2.481 121.114 118.700 -0.111 0.000 2.415 54 N HA 0.062 4.802 4.740 -0.000 0.000 0.246 54 N C -1.718 173.674 175.510 -0.198 0.000 1.078 54 N CA -1.580 51.394 53.050 -0.127 0.000 0.942 54 N CB 1.338 39.790 38.487 -0.057 0.000 1.140 54 N HN -0.023 nan 8.380 nan 0.000 0.501 55 P HA 0.059 nan 4.420 nan 0.000 0.257 55 P C -0.674 176.368 177.300 -0.431 0.000 1.281 55 P CA 0.219 63.062 63.100 -0.429 0.000 0.826 55 P CB 0.007 31.395 31.700 -0.521 0.000 1.237 56 Y N 0.370 120.676 120.300 0.009 0.000 2.488 56 Y HA 0.583 5.133 4.550 -0.000 0.000 0.325 56 Y C 0.729 176.646 175.900 0.028 0.000 1.204 56 Y CA -0.815 57.308 58.100 0.038 0.000 1.229 56 Y CB 0.996 39.511 38.460 0.092 0.000 1.274 56 Y HN -0.167 nan 8.280 nan 0.000 0.493 57 N N -0.666 118.166 118.700 0.219 0.000 2.710 57 N HA 0.338 5.078 4.740 -0.000 0.000 0.257 57 N C -1.845 173.718 175.510 0.087 0.000 1.140 57 N CA -0.552 52.572 53.050 0.123 0.000 0.953 57 N CB 1.659 40.161 38.487 0.026 0.000 1.664 57 N HN 0.697 nan 8.380 nan 0.000 0.497 58 T N 0.726 115.317 114.554 0.062 0.000 2.881 58 T HA 0.649 4.999 4.350 -0.000 0.000 0.290 58 T C -2.933 171.656 174.700 -0.185 0.000 1.000 58 T CA -1.832 60.237 62.100 -0.052 0.000 0.978 58 T CB 1.769 70.621 68.868 -0.027 0.000 0.997 58 T HN 0.145 nan 8.240 nan 0.000 0.443 59 P HA 0.248 nan 4.420 nan 0.000 0.266 59 P C -0.982 176.065 177.300 -0.422 0.000 1.193 59 P CA -0.323 62.400 63.100 -0.628 0.000 0.770 59 P CB 0.606 31.716 31.700 -0.983 0.000 0.836 60 V N 5.543 125.264 119.914 -0.321 0.000 2.668 60 V HA 0.734 4.854 4.120 -0.000 0.000 0.304 60 V C -1.213 175.102 176.094 0.368 0.000 1.071 60 V CA -0.568 61.773 62.300 0.068 0.000 0.894 60 V CB 0.393 32.296 31.823 0.134 0.000 1.008 60 V HN 0.510 nan 8.190 nan 0.000 0.425 61 F N 4.444 124.545 119.950 0.252 0.000 2.650 61 F HA 1.016 5.543 4.527 -0.000 0.000 0.320 61 F C -0.292 175.641 175.800 0.221 0.000 1.091 61 F CA -0.992 57.209 58.000 0.334 0.000 0.962 61 F CB 1.920 41.250 39.000 0.549 0.000 1.363 61 F HN 0.704 nan 8.300 nan 0.000 0.482 62 A N 1.589 124.536 122.820 0.212 0.000 2.380 62 A HA 0.853 5.173 4.320 -0.000 0.000 0.315 62 A C -1.761 175.984 177.584 0.268 0.000 1.101 62 A CA -0.788 51.338 52.037 0.150 0.000 0.771 62 A CB 1.915 20.994 19.000 0.132 0.000 1.287 62 A HN 0.790 nan 8.150 nan 0.000 0.436 63 I N 0.688 121.426 120.570 0.280 0.000 2.913 63 I HA 0.548 4.718 4.170 -0.000 0.000 0.302 63 I C -1.163 174.911 176.117 -0.072 0.000 1.246 63 I CA -0.729 60.647 61.300 0.127 0.000 1.010 63 I CB 2.263 40.177 38.000 -0.143 0.000 1.259 63 I HN 0.727 nan 8.210 nan 0.000 0.434 64 K N 4.286 124.370 120.400 -0.525 0.000 2.208 64 K HA 0.513 4.833 4.320 -0.000 0.000 0.247 64 K C -0.954 175.433 176.600 -0.354 0.000 0.953 64 K CA -0.817 55.110 56.287 -0.600 0.000 0.837 64 K CB 1.505 33.307 32.500 -1.164 0.000 1.131 64 K HN 0.427 nan 8.250 nan 0.000 0.431 65 K N 2.032 122.278 120.400 -0.256 0.000 2.339 65 K HA 0.100 4.420 4.320 -0.000 0.000 0.286 65 K C 0.666 177.153 176.600 -0.187 0.000 1.050 65 K CA -0.049 56.133 56.287 -0.176 0.000 0.956 65 K CB 0.765 33.190 32.500 -0.125 0.000 0.990 65 K HN 0.433 nan 8.250 nan 0.000 0.475 66 K N 2.637 122.941 120.400 -0.159 0.000 2.211 66 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 66 K C 0.450 176.983 176.600 -0.111 0.000 1.047 66 K CA 1.605 57.807 56.287 -0.141 0.000 0.935 66 K CB 0.013 32.446 32.500 -0.111 0.000 0.728 66 K HN 0.650 nan 8.250 nan 0.000 0.452 67 D N -0.515 119.827 120.400 -0.096 0.000 2.137 67 D HA -0.024 4.615 4.640 -0.000 0.000 0.202 67 D C 1.757 178.014 176.300 -0.072 0.000 0.970 67 D CA 0.972 54.928 54.000 -0.074 0.000 0.837 67 D CB 0.036 40.800 40.800 -0.062 0.000 0.981 67 D HN -0.024 nan 8.370 nan 0.000 0.475 68 S N -0.948 114.701 115.700 -0.084 0.000 2.425 68 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 68 S C 0.890 175.437 174.600 -0.088 0.000 1.024 68 S CA 0.970 59.126 58.200 -0.074 0.000 0.951 68 S CB 0.147 63.306 63.200 -0.068 0.000 0.796 68 S HN 0.180 nan 8.310 nan 0.000 0.498 69 T N 1.160 115.630 114.554 -0.141 0.000 6.386 69 T HA -0.190 4.160 4.350 -0.000 0.000 0.278 69 T C -0.100 174.476 174.700 -0.208 0.000 2.163 69 T CA 1.510 63.501 62.100 -0.182 0.000 3.541 69 T CB -1.604 67.202 68.868 -0.104 0.000 1.383 69 T HN 0.751 nan 8.240 nan 0.000 1.186 70 K N 0.044 120.346 120.400 -0.164 0.000 2.130 70 K HA 0.544 4.864 4.320 -0.000 0.000 0.268 70 K C -0.319 176.209 176.600 -0.121 0.000 0.983 70 K CA -0.988 55.256 56.287 -0.071 0.000 0.893 70 K CB 1.212 33.712 32.500 -0.001 0.000 1.066 70 K HN 0.182 nan 8.250 nan 0.000 0.450 71 W N 1.643 122.937 121.300 -0.009 0.000 2.183 71 W HA 0.363 5.023 4.660 -0.000 0.000 0.348 71 W C 0.440 176.951 176.519 -0.014 0.000 1.257 71 W CA -0.537 56.799 57.345 -0.014 0.000 1.324 71 W CB 0.766 30.226 29.460 -0.000 0.000 1.144 71 W HN 0.307 nan 8.180 nan 0.000 0.622 72 R N 1.346 121.998 120.500 0.253 0.000 2.651 72 R HA 0.235 4.575 4.340 -0.000 0.000 0.278 72 R C -1.049 175.329 176.300 0.130 0.000 1.010 72 R CA -1.326 54.854 56.100 0.134 0.000 0.896 72 R CB 2.207 32.534 30.300 0.045 0.000 1.211 72 R HN 0.441 nan 8.270 nan 0.000 0.456 73 K N 2.809 123.278 120.400 0.115 0.000 2.285 73 K HA 0.224 4.544 4.320 -0.000 0.000 0.286 73 K C -0.869 175.789 176.600 0.098 0.000 1.072 73 K CA -0.449 55.906 56.287 0.113 0.000 0.913 73 K CB 0.550 33.122 32.500 0.119 0.000 1.067 73 K HN 0.255 nan 8.250 nan 0.000 0.479 74 L N 6.141 127.418 121.223 0.089 0.000 2.287 74 L HA 0.320 4.660 4.340 -0.000 0.000 0.287 74 L C -1.068 175.955 176.870 0.255 0.000 1.022 74 L CA -0.647 54.266 54.840 0.122 0.000 0.814 74 L CB 1.658 43.685 42.059 -0.053 0.000 1.217 74 L HN 0.377 nan 8.230 nan 0.000 0.420 75 V N 1.120 121.097 119.914 0.106 0.000 2.459 75 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 75 V C -0.479 175.505 176.094 -0.184 0.000 1.029 75 V CA -0.793 61.415 62.300 -0.153 0.000 0.874 75 V CB 1.537 33.063 31.823 -0.495 0.000 0.985 75 V HN 0.764 nan 8.190 nan 0.000 0.438 76 D N 3.259 123.537 120.400 -0.203 0.000 2.468 76 D HA 0.347 4.987 4.640 -0.000 0.000 0.218 76 D C 0.095 176.279 176.300 -0.193 0.000 1.155 76 D CA -0.373 53.570 54.000 -0.095 0.000 0.924 76 D CB 0.290 41.072 40.800 -0.031 0.000 1.029 76 D HN 0.454 nan 8.370 nan 0.000 0.515 77 F N 2.165 122.184 119.950 0.115 0.000 2.725 77 F HA 0.216 4.743 4.527 -0.000 0.000 0.303 77 F C 1.955 177.839 175.800 0.139 0.000 1.167 77 F CA -0.114 57.964 58.000 0.130 0.000 1.403 77 F CB -0.144 38.965 39.000 0.182 0.000 1.077 77 F HN 0.321 nan 8.300 nan 0.000 0.537 78 R N 0.127 120.763 120.500 0.226 0.000 2.113 78 R HA -0.191 4.149 4.340 -0.000 0.000 0.244 78 R C 1.928 178.328 176.300 0.166 0.000 1.142 78 R CA 1.622 57.827 56.100 0.175 0.000 0.953 78 R CB -0.348 30.024 30.300 0.120 0.000 0.860 78 R HN 0.226 nan 8.270 nan 0.000 0.438 79 E N 0.773 121.064 120.200 0.151 0.000 2.150 79 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 79 E C 2.055 178.748 176.600 0.154 0.000 0.985 79 E CA 0.576 57.052 56.400 0.126 0.000 0.814 79 E CB -0.117 29.639 29.700 0.094 0.000 0.752 79 E HN 0.338 nan 8.360 nan 0.000 0.466 80 L N 1.210 122.580 121.223 0.244 0.000 2.027 80 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 80 L C 1.861 178.912 176.870 0.301 0.000 1.074 80 L CA 1.202 56.207 54.840 0.276 0.000 0.745 80 L CB -0.278 42.032 42.059 0.420 0.000 0.898 80 L HN 0.096 nan 8.230 nan 0.000 0.433 81 N N 0.482 119.372 118.700 0.317 0.000 2.137 81 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 81 N C 1.667 177.251 175.510 0.123 0.000 1.017 81 N CA 1.358 54.533 53.050 0.209 0.000 0.859 81 N CB -0.202 38.386 38.487 0.169 0.000 1.002 81 N HN 0.344 nan 8.380 nan 0.000 0.428 82 K N 0.298 120.766 120.400 0.113 0.000 2.148 82 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 82 K C 1.797 178.426 176.600 0.050 0.000 1.050 82 K CA 0.858 57.185 56.287 0.067 0.000 0.942 82 K CB 0.070 32.608 32.500 0.062 0.000 0.724 82 K HN 0.184 nan 8.250 nan 0.000 0.446 83 R N -0.167 120.372 120.500 0.065 0.000 2.237 83 R HA 0.077 4.416 4.340 -0.000 0.000 0.195 83 R C 0.430 176.759 176.300 0.048 0.000 0.956 83 R CA 0.166 56.281 56.100 0.025 0.000 1.029 83 R CB 0.317 30.603 30.300 -0.024 0.000 0.972 83 R HN -0.073 nan 8.270 nan 0.000 0.493 84 T N 3.073 117.717 114.554 0.150 0.000 2.902 84 T HA -0.018 4.332 4.350 -0.000 0.000 0.301 84 T C 0.099 174.776 174.700 -0.037 0.000 1.012 84 T CA -0.011 62.213 62.100 0.206 0.000 1.151 84 T CB 0.688 69.766 68.868 0.350 0.000 0.946 84 T HN 0.237 nan 8.240 nan 0.000 0.542 85 Q N 3.169 122.882 119.800 -0.145 0.000 2.539 85 Q HA 0.088 4.428 4.340 -0.000 0.000 0.268 85 Q C -0.331 175.324 176.000 -0.575 0.000 1.109 85 Q CA -0.038 55.575 55.803 -0.315 0.000 0.968 85 Q CB 0.428 28.962 28.738 -0.341 0.000 1.309 85 Q HN 0.471 nan 8.270 nan 0.000 0.497 86 D N 0.043 120.179 120.400 -0.440 0.000 2.344 86 D HA 0.305 4.945 4.640 -0.000 0.000 0.244 86 D C -0.632 175.299 176.300 -0.614 0.000 1.134 86 D CA 0.119 53.885 54.000 -0.391 0.000 0.930 86 D CB 0.480 41.189 40.800 -0.152 0.000 1.175 86 D HN 0.329 nan 8.370 nan 0.000 0.437 87 F N -0.256 119.644 119.950 -0.084 0.000 2.618 87 F HA 0.332 4.859 4.527 -0.000 0.000 0.332 87 F C -0.099 175.707 175.800 0.010 0.000 1.061 87 F CA -1.121 56.843 58.000 -0.059 0.000 0.974 87 F CB 1.560 40.465 39.000 -0.158 0.000 1.310 87 F HN 0.248 nan 8.300 nan 0.000 0.491 88 W N 3.355 124.731 121.300 0.127 0.000 2.282 88 W HA 0.321 4.981 4.660 -0.000 0.000 0.322 88 W C -0.791 175.754 176.519 0.043 0.000 1.011 88 W CA -0.689 56.687 57.345 0.051 0.000 1.392 88 W CB 0.843 30.316 29.460 0.023 0.000 1.215 88 W HN 0.479 nan 8.180 nan 0.000 0.394 89 E N 3.151 123.036 120.200 -0.525 0.000 2.414 89 E HA -0.050 4.300 4.350 -0.000 0.000 0.263 89 E C 1.046 177.464 176.600 -0.303 0.000 1.000 89 E CA 0.244 56.433 56.400 -0.352 0.000 0.914 89 E CB 1.907 31.401 29.700 -0.344 0.000 0.948 89 E HN 0.510 nan 8.360 nan 0.000 0.444 90 V N 0.287 120.138 119.914 -0.105 0.000 3.660 90 V HA 0.070 4.190 4.120 -0.000 0.000 0.276 90 V C 0.781 176.869 176.094 -0.011 0.000 1.317 90 V CA -0.111 62.190 62.300 0.003 0.000 1.097 90 V CB 0.161 32.012 31.823 0.047 0.000 0.863 90 V HN 0.344 nan 8.190 nan 0.000 0.438 91 Q N 1.504 121.273 119.800 -0.052 0.000 2.348 91 Q HA 0.369 4.709 4.340 -0.000 0.000 0.251 91 Q C 0.452 176.452 176.000 -0.000 0.000 1.113 91 Q CA 0.260 56.053 55.803 -0.016 0.000 0.902 91 Q CB 0.505 29.215 28.738 -0.046 0.000 1.333 91 Q HN 0.678 nan 8.270 nan 0.000 0.457 92 L N 2.209 123.453 121.223 0.034 0.000 2.591 92 L HA 0.422 4.762 4.340 -0.000 0.000 0.228 92 L C 0.880 177.775 176.870 0.042 0.000 1.133 92 L CA 0.227 55.087 54.840 0.034 0.000 0.880 92 L CB -0.169 41.924 42.059 0.057 0.000 1.033 92 L HN 0.718 nan 8.230 nan 0.000 0.450 93 G N 0.757 109.597 108.800 0.067 0.000 2.361 93 G HA2 0.271 4.231 3.960 -0.000 0.000 0.299 93 G HA3 0.271 4.231 3.960 -0.000 0.000 0.299 93 G C -1.536 173.418 174.900 0.090 0.000 1.544 93 G CA -0.769 44.368 45.100 0.062 0.000 0.860 93 G HN 0.022 nan 8.290 nan 0.000 0.610 94 I N 0.700 121.300 120.570 0.050 0.000 2.396 94 I HA 0.692 4.862 4.170 -0.000 0.000 0.292 94 I C -1.625 174.453 176.117 -0.066 0.000 0.999 94 I CA -1.988 59.286 61.300 -0.042 0.000 1.310 94 I CB 1.588 39.501 38.000 -0.145 0.000 1.404 94 I HN 0.363 nan 8.210 nan 0.000 0.496 95 P HA 0.085 nan 4.420 nan 0.000 0.271 95 P C -1.215 176.023 177.300 -0.103 0.000 1.233 95 P CA 0.188 63.295 63.100 0.013 0.000 0.789 95 P CB 0.461 32.300 31.700 0.231 0.000 0.951 96 H N 1.565 120.533 119.070 -0.170 0.000 2.782 96 H HA 0.178 4.734 4.556 -0.000 0.000 0.347 96 H C -1.826 173.225 175.328 -0.462 0.000 1.038 96 H CA -1.860 53.980 56.048 -0.348 0.000 1.255 96 H CB 2.536 32.087 29.762 -0.351 0.000 1.623 96 H HN 0.171 nan 8.280 nan 0.000 0.525 97 P HA -0.190 nan 4.420 nan 0.000 0.217 97 P C 1.126 178.131 177.300 -0.491 0.000 1.148 97 P CA 1.679 64.243 63.100 -0.893 0.000 0.834 97 P CB 0.158 30.778 31.700 -1.799 0.000 0.783 98 A N 0.419 123.145 122.820 -0.156 0.000 1.940 98 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 98 A C 2.522 180.288 177.584 0.303 0.000 1.176 98 A CA 2.023 54.226 52.037 0.276 0.000 0.631 98 A CB -1.761 17.405 19.000 0.276 0.000 0.814 98 A HN 0.368 nan 8.150 nan 0.000 0.446 99 G N -1.255 107.512 108.800 -0.056 0.000 2.985 99 G HA2 0.360 4.319 3.960 -0.000 0.000 0.209 99 G HA3 0.360 4.319 3.960 -0.000 0.000 0.209 99 G C 0.534 175.479 174.900 0.074 0.000 1.165 99 G CA -0.330 44.713 45.100 -0.095 0.000 0.776 99 G HN 0.391 nan 8.290 nan 0.000 0.541 100 L N 0.040 121.220 121.223 -0.072 0.000 2.464 100 L HA 0.379 4.719 4.340 -0.000 0.000 0.264 100 L C 0.408 177.295 176.870 0.029 0.000 1.199 100 L CA -0.307 54.401 54.840 -0.220 0.000 0.818 100 L CB 0.960 42.608 42.059 -0.685 0.000 1.102 100 L HN -0.068 nan 8.230 nan 0.000 0.473 101 K N 1.067 121.478 120.400 0.017 0.000 2.166 101 K HA 0.363 4.683 4.320 -0.000 0.000 0.245 101 K C -0.849 175.745 176.600 -0.009 0.000 0.967 101 K CA -0.686 55.661 56.287 0.100 0.000 0.863 101 K CB 1.328 33.907 32.500 0.132 0.000 1.107 101 K HN 0.265 nan 8.250 nan 0.000 0.436 102 K N 2.393 122.842 120.400 0.081 0.000 2.322 102 K HA 0.184 4.504 4.320 -0.000 0.000 0.283 102 K C -0.573 176.063 176.600 0.061 0.000 1.042 102 K CA -0.232 56.109 56.287 0.089 0.000 0.958 102 K CB 0.647 33.267 32.500 0.199 0.000 0.984 102 K HN 0.249 nan 8.250 nan 0.000 0.473 103 K N 2.887 123.315 120.400 0.047 0.000 2.371 103 K HA 0.220 4.540 4.320 -0.000 0.000 0.251 103 K C 0.518 177.133 176.600 0.026 0.000 0.934 103 K CA -0.890 55.422 56.287 0.041 0.000 0.798 103 K CB 1.741 34.265 32.500 0.040 0.000 1.204 103 K HN 0.257 nan 8.250 nan 0.000 0.427 104 K N 1.194 121.604 120.400 0.017 0.000 2.001 104 K HA -0.070 4.250 4.320 -0.000 0.000 0.223 104 K C 0.455 177.022 176.600 -0.055 0.000 1.055 104 K CA 1.575 57.860 56.287 -0.003 0.000 0.965 104 K CB -0.173 32.328 32.500 0.002 0.000 0.730 104 K HN 0.560 nan 8.250 nan 0.000 0.449 105 S N -0.559 115.045 115.700 -0.159 0.000 2.532 105 S HA 0.527 4.997 4.470 -0.000 0.000 0.301 105 S C -0.758 173.562 174.600 -0.467 0.000 1.083 105 S CA -0.868 57.097 58.200 -0.393 0.000 1.025 105 S CB 2.644 65.401 63.200 -0.739 0.000 1.056 105 S HN 0.000 nan 8.310 nan 0.000 0.494 106 V N 2.018 121.745 119.914 -0.312 0.000 2.851 106 V HA 0.643 4.763 4.120 -0.000 0.000 0.307 106 V C -0.614 175.323 176.094 -0.262 0.000 1.129 106 V CA -0.559 61.600 62.300 -0.234 0.000 0.932 106 V CB 2.461 34.235 31.823 -0.081 0.000 1.024 106 V HN 0.958 nan 8.190 nan 0.000 0.426 107 T N 2.880 117.195 114.554 -0.398 0.000 2.906 107 T HA 0.758 5.108 4.350 -0.000 0.000 0.295 107 T C -1.037 173.288 174.700 -0.625 0.000 1.061 107 T CA -0.574 61.278 62.100 -0.413 0.000 1.000 107 T CB 2.199 71.025 68.868 -0.070 0.000 1.103 107 T HN 0.381 nan 8.240 nan 0.000 0.486 108 V N 2.824 122.393 119.914 -0.575 0.000 2.735 108 V HA 0.674 4.794 4.120 -0.000 0.000 0.310 108 V C -0.856 175.081 176.094 -0.261 0.000 1.061 108 V CA -0.751 61.269 62.300 -0.466 0.000 0.913 108 V CB 1.806 33.238 31.823 -0.652 0.000 1.005 108 V HN 0.680 nan 8.190 nan 0.000 0.428 109 L N 2.902 124.046 121.223 -0.132 0.000 2.376 109 L HA 0.732 5.072 4.340 -0.000 0.000 0.258 109 L C -1.287 175.582 176.870 -0.001 0.000 1.013 109 L CA -0.720 54.091 54.840 -0.049 0.000 0.822 109 L CB 2.704 44.742 42.059 -0.034 0.000 1.388 109 L HN 0.509 nan 8.230 nan 0.000 0.413 110 D N 0.694 121.106 120.400 0.020 0.000 2.879 110 D HA 0.387 5.027 4.640 -0.000 0.000 0.236 110 D C -1.008 175.307 176.300 0.025 0.000 1.171 110 D CA -0.271 53.746 54.000 0.028 0.000 0.868 110 D CB 3.493 44.309 40.800 0.027 0.000 1.598 110 D HN 0.031 nan 8.370 nan 0.000 0.497 111 V N 1.216 121.147 119.914 0.027 0.000 2.583 111 V HA 0.476 4.596 4.120 -0.000 0.000 0.287 111 V C 1.012 177.103 176.094 -0.005 0.000 1.051 111 V CA -0.374 61.950 62.300 0.041 0.000 1.010 111 V CB 1.535 33.426 31.823 0.113 0.000 0.988 111 V HN 0.616 nan 8.190 nan 0.000 0.478 112 G N 1.575 110.383 108.800 0.013 0.000 2.356 112 G HA2 0.465 4.425 3.960 -0.000 0.000 0.298 112 G HA3 0.465 4.425 3.960 -0.000 0.000 0.298 112 G C -0.060 174.838 174.900 -0.003 0.000 1.145 112 G CA -0.162 44.931 45.100 -0.012 0.000 0.850 112 G HN 0.880 nan 8.290 nan 0.000 0.487 113 D N 0.453 120.818 120.400 -0.058 0.000 2.746 113 D HA -0.245 4.395 4.640 -0.000 0.000 0.236 113 D C 1.678 177.984 176.300 0.009 0.000 1.129 113 D CA 0.779 54.759 54.000 -0.032 0.000 0.691 113 D CB -0.822 40.026 40.800 0.081 0.000 1.077 113 D HN 0.675 nan 8.370 nan 0.000 0.432 114 A N 0.201 122.929 122.820 -0.153 0.000 1.877 114 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 114 A C 1.745 179.370 177.584 0.068 0.000 1.301 114 A CA 1.965 53.837 52.037 -0.274 0.000 0.699 114 A CB -0.871 17.607 19.000 -0.869 0.000 0.844 114 A HN 0.405 nan 8.150 nan 0.000 0.464 115 Y N -1.286 118.951 120.300 -0.105 0.000 2.097 115 Y HA -0.171 4.379 4.550 -0.000 0.000 0.282 115 Y C 2.247 178.395 175.900 0.413 0.000 1.152 115 Y CA 0.733 58.949 58.100 0.192 0.000 1.136 115 Y CB -1.444 37.125 38.460 0.181 0.000 0.975 115 Y HN 0.338 nan 8.280 nan 0.000 0.498 116 F N -0.138 119.964 119.950 0.253 0.000 2.605 116 F HA -0.126 4.401 4.527 -0.000 0.000 0.296 116 F C 2.021 177.927 175.800 0.177 0.000 1.146 116 F CA 0.675 58.795 58.000 0.200 0.000 1.478 116 F CB -0.960 38.129 39.000 0.148 0.000 1.107 116 F HN -0.067 nan 8.300 nan 0.000 0.600 117 S N -1.495 114.434 115.700 0.382 0.000 2.523 117 S HA 0.188 4.658 4.470 -0.000 0.000 0.217 117 S C 0.490 175.242 174.600 0.253 0.000 0.996 117 S CA -0.060 58.310 58.200 0.283 0.000 0.921 117 S CB 0.655 64.023 63.200 0.281 0.000 0.829 117 S HN -0.105 nan 8.310 nan 0.000 0.495 118 V N 4.207 124.293 119.914 0.287 0.000 2.417 118 V HA 0.379 4.498 4.120 -0.000 0.000 0.291 118 V C -2.694 173.489 176.094 0.147 0.000 1.024 118 V CA -2.375 60.048 62.300 0.205 0.000 0.861 118 V CB 1.438 33.395 31.823 0.223 0.000 0.985 118 V HN 0.037 nan 8.190 nan 0.000 0.436 119 P HA 0.141 nan 4.420 nan 0.000 0.268 119 P C -0.658 176.679 177.300 0.062 0.000 1.204 119 P CA -0.272 62.872 63.100 0.074 0.000 0.768 119 P CB 0.559 32.300 31.700 0.068 0.000 0.842 120 L N 3.020 124.269 121.223 0.042 0.000 2.334 120 L HA 0.354 4.694 4.340 -0.000 0.000 0.277 120 L C 0.122 177.018 176.870 0.043 0.000 1.075 120 L CA -0.566 54.284 54.840 0.016 0.000 0.804 120 L CB 0.225 42.260 42.059 -0.040 0.000 1.174 120 L HN 0.261 nan 8.230 nan 0.000 0.438 121 D N 2.637 123.075 120.400 0.063 0.000 2.662 121 D HA -0.145 4.495 4.640 -0.000 0.000 0.233 121 D C 1.079 177.435 176.300 0.093 0.000 1.129 121 D CA 0.729 54.784 54.000 0.092 0.000 0.851 121 D CB 0.784 41.662 40.800 0.129 0.000 1.152 121 D HN 0.740 nan 8.370 nan 0.000 0.507 122 E N 2.601 122.839 120.200 0.063 0.000 2.086 122 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 122 E C 1.003 177.620 176.600 0.027 0.000 1.012 122 E CA 1.963 58.386 56.400 0.038 0.000 0.812 122 E CB 0.137 29.854 29.700 0.030 0.000 0.743 122 E HN 0.589 nan 8.360 nan 0.000 0.453 123 D N -1.161 119.272 120.400 0.056 0.000 2.312 123 D HA -0.111 4.529 4.640 -0.000 0.000 0.211 123 D C 1.243 177.560 176.300 0.029 0.000 0.964 123 D CA 0.472 54.494 54.000 0.037 0.000 0.877 123 D CB -0.010 40.839 40.800 0.081 0.000 0.924 123 D HN 0.237 nan 8.370 nan 0.000 0.515 124 F N 1.622 121.545 119.950 -0.045 0.000 2.754 124 F HA 0.136 4.663 4.527 -0.000 0.000 0.297 124 F C 2.090 177.798 175.800 -0.152 0.000 1.122 124 F CA 0.011 58.005 58.000 -0.009 0.000 1.400 124 F CB 0.177 39.216 39.000 0.066 0.000 1.117 124 F HN -0.287 nan 8.300 nan 0.000 0.587 125 R N 1.050 121.490 120.500 -0.100 0.000 2.103 125 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 125 R C 2.150 178.315 176.300 -0.224 0.000 1.142 125 R CA 2.088 58.114 56.100 -0.124 0.000 0.960 125 R CB -0.569 29.704 30.300 -0.044 0.000 0.858 125 R HN 0.374 nan 8.270 nan 0.000 0.439 126 K N -0.290 119.887 120.400 -0.372 0.000 2.281 126 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 126 K C 1.237 177.651 176.600 -0.309 0.000 1.046 126 K CA 1.576 57.679 56.287 -0.308 0.000 0.938 126 K CB -0.307 31.997 32.500 -0.326 0.000 0.737 126 K HN 0.214 nan 8.250 nan 0.000 0.458 127 Y N 2.364 122.405 120.300 -0.432 0.000 2.457 127 Y HA -0.052 4.498 4.550 -0.000 0.000 0.292 127 Y C 2.405 178.168 175.900 -0.228 0.000 1.125 127 Y CA 1.096 58.836 58.100 -0.601 0.000 1.254 127 Y CB -0.648 37.209 38.460 -1.006 0.000 1.012 127 Y HN 0.302 nan 8.280 nan 0.000 0.555 128 T N -2.004 112.550 114.554 0.000 0.000 3.194 128 T HA 0.408 4.758 4.350 -0.000 0.000 0.251 128 T C 0.877 175.860 174.700 0.472 0.000 1.132 128 T CA 0.072 62.333 62.100 0.268 0.000 1.028 128 T CB -0.733 68.243 68.868 0.180 0.000 0.976 128 T HN 0.205 nan 8.240 nan 0.000 0.535 129 A N 1.807 124.810 122.820 0.305 0.000 2.546 129 A HA 0.523 4.843 4.320 -0.000 0.000 0.243 129 A C 0.004 177.811 177.584 0.371 0.000 1.063 129 A CA -0.477 51.727 52.037 0.278 0.000 0.757 129 A CB -0.584 18.517 19.000 0.169 0.000 0.991 129 A HN 0.770 nan 8.150 nan 0.000 0.503 130 F N -0.265 119.765 119.950 0.134 0.000 2.640 130 F HA 0.859 5.386 4.527 -0.000 0.000 0.324 130 F C -0.223 175.610 175.800 0.056 0.000 1.077 130 F CA -0.846 57.198 58.000 0.073 0.000 0.965 130 F CB 1.603 40.651 39.000 0.080 0.000 1.351 130 F HN 0.330 nan 8.300 nan 0.000 0.487 131 T N 2.612 117.217 114.554 0.086 0.000 2.861 131 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 131 T C -1.019 173.723 174.700 0.070 0.000 1.003 131 T CA -0.489 61.588 62.100 -0.038 0.000 0.977 131 T CB 1.610 70.445 68.868 -0.054 0.000 0.996 131 T HN 0.822 nan 8.240 nan 0.000 0.448 132 I N 5.082 125.680 120.570 0.045 0.000 2.412 132 I HA 0.384 4.554 4.170 -0.000 0.000 0.279 132 I C -2.260 173.876 176.117 0.033 0.000 1.063 132 I CA -2.785 58.578 61.300 0.105 0.000 1.193 132 I CB 1.190 39.295 38.000 0.175 0.000 1.370 132 I HN 0.335 nan 8.210 nan 0.000 0.479 133 P HA -0.081 nan 4.420 nan 0.000 0.267 133 P C -0.179 177.121 177.300 0.000 0.000 1.175 133 P CA 0.304 63.408 63.100 0.005 0.000 0.763 133 P CB 0.367 32.081 31.700 0.022 0.000 0.795 134 S N 2.232 117.925 115.700 -0.012 0.000 2.564 134 S HA 0.083 4.553 4.470 -0.000 0.000 0.278 134 S C 1.575 176.171 174.600 -0.006 0.000 1.333 134 S CA -0.766 57.425 58.200 -0.015 0.000 1.048 134 S CB 0.237 63.423 63.200 -0.023 0.000 0.900 134 S HN 0.551 nan 8.310 nan 0.000 0.505 135 I N 1.274 121.840 120.570 -0.008 0.000 2.285 135 I HA -0.322 3.848 4.170 -0.000 0.000 0.253 135 I C 0.329 176.445 176.117 -0.001 0.000 1.104 135 I CA 1.722 63.018 61.300 -0.006 0.000 1.372 135 I CB -0.146 37.849 38.000 -0.009 0.000 1.057 135 I HN 0.676 nan 8.210 nan 0.000 0.431 136 N N -1.320 117.378 118.700 -0.003 0.000 3.550 136 N HA 0.075 4.815 4.740 -0.000 0.000 0.345 136 N C 0.021 175.530 175.510 -0.001 0.000 1.647 136 N CA -0.375 52.675 53.050 0.000 0.000 0.737 136 N CB 0.039 38.525 38.487 -0.002 0.000 2.178 136 N HN -0.107 nan 8.380 nan 0.000 0.638 137 N N 0.517 119.217 118.700 -0.001 0.000 2.467 137 N HA 0.001 4.741 4.740 -0.000 0.000 0.184 137 N C 0.740 176.245 175.510 -0.010 0.000 1.106 137 N CA 0.611 53.659 53.050 -0.003 0.000 0.892 137 N CB 0.454 38.941 38.487 -0.001 0.000 0.969 137 N HN 0.338 nan 8.380 nan 0.000 0.454 138 E N -0.523 119.670 120.200 -0.011 0.000 2.002 138 E HA -0.122 4.228 4.350 -0.000 0.000 0.205 138 E C 0.055 176.642 176.600 -0.022 0.000 1.020 138 E CA 1.073 57.464 56.400 -0.015 0.000 0.856 138 E CB -0.289 29.402 29.700 -0.015 0.000 0.788 138 E HN 0.170 nan 8.360 nan 0.000 0.477 139 T N 1.438 115.977 114.554 -0.026 0.000 2.912 139 T HA 0.345 4.695 4.350 -0.000 0.000 0.288 139 T C -2.494 172.181 174.700 -0.042 0.000 1.030 139 T CA -1.476 60.603 62.100 -0.035 0.000 1.020 139 T CB 1.780 70.624 68.868 -0.040 0.000 1.056 139 T HN -0.111 nan 8.240 nan 0.000 0.480 140 P HA 0.160 nan 4.420 nan 0.000 0.266 140 P C 0.505 177.764 177.300 -0.069 0.000 1.193 140 P CA 0.038 63.102 63.100 -0.059 0.000 0.770 140 P CB 0.245 31.903 31.700 -0.069 0.000 0.836 141 G N 1.732 110.490 108.800 -0.070 0.000 2.590 141 G HA2 0.196 4.156 3.960 -0.000 0.000 0.276 141 G HA3 0.196 4.156 3.960 -0.000 0.000 0.276 141 G C -0.290 174.537 174.900 -0.120 0.000 1.337 141 G CA -0.605 44.449 45.100 -0.076 0.000 1.030 141 G HN 0.461 nan 8.290 nan 0.000 0.534 142 I N 0.922 121.407 120.570 -0.142 0.000 2.304 142 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 142 I C 0.089 175.990 176.117 -0.361 0.000 1.018 142 I CA -0.653 60.491 61.300 -0.260 0.000 1.260 142 I CB 1.123 38.983 38.000 -0.233 0.000 1.390 142 I HN 0.143 nan 8.210 nan 0.000 0.475 143 R N 5.734 125.979 120.500 -0.425 0.000 2.349 143 R HA 0.556 4.895 4.340 -0.000 0.000 0.299 143 R C -1.152 174.777 176.300 -0.618 0.000 1.027 143 R CA -0.604 55.245 56.100 -0.419 0.000 0.958 143 R CB 1.400 31.541 30.300 -0.266 0.000 1.047 143 R HN 0.428 nan 8.270 nan 0.000 0.468 144 Y N -0.164 119.777 120.300 -0.598 0.000 2.698 144 Y HA 0.377 4.927 4.550 -0.000 0.000 0.332 144 Y C 0.149 175.824 175.900 -0.374 0.000 1.119 144 Y CA -0.735 57.003 58.100 -0.603 0.000 1.109 144 Y CB 1.892 39.753 38.460 -0.998 0.000 1.308 144 Y HN 0.458 nan 8.280 nan 0.000 0.499 145 Q N 0.109 119.954 119.800 0.076 0.000 2.472 145 Q HA 0.383 4.723 4.340 -0.000 0.000 0.281 145 Q C -2.261 173.797 176.000 0.096 0.000 0.997 145 Q CA -0.794 55.107 55.803 0.163 0.000 0.828 145 Q CB 1.867 30.646 28.738 0.067 0.000 1.443 145 Q HN 0.706 nan 8.270 nan 0.000 0.390 146 Y N 1.854 122.239 120.300 0.141 0.000 2.299 146 Y HA 0.282 4.832 4.550 -0.000 0.000 0.326 146 Y C 0.854 176.730 175.900 -0.039 0.000 1.164 146 Y CA 0.329 58.444 58.100 0.026 0.000 1.234 146 Y CB 1.121 39.562 38.460 -0.031 0.000 1.219 146 Y HN 0.666 nan 8.280 nan 0.000 0.497 147 N N 1.422 120.148 118.700 0.043 0.000 2.171 147 N HA 0.108 4.848 4.740 -0.000 0.000 0.212 147 N C -0.544 174.985 175.510 0.031 0.000 1.184 147 N CA 0.365 53.428 53.050 0.021 0.000 0.888 147 N CB 1.075 39.555 38.487 -0.012 0.000 1.038 147 N HN 0.379 nan 8.380 nan 0.000 0.517 148 V N -2.493 117.456 119.914 0.057 0.000 3.119 148 V HA 0.550 4.670 4.120 -0.000 0.000 0.311 148 V C 0.003 176.128 176.094 0.052 0.000 1.259 148 V CA -1.084 61.249 62.300 0.056 0.000 1.067 148 V CB 1.350 33.180 31.823 0.012 0.000 1.123 148 V HN -0.177 nan 8.190 nan 0.000 0.463 149 L N 2.368 123.649 121.223 0.097 0.000 2.385 149 L HA 0.380 4.720 4.340 -0.000 0.000 0.281 149 L C -2.319 174.589 176.870 0.064 0.000 1.106 149 L CA -1.206 53.654 54.840 0.034 0.000 0.856 149 L CB 0.573 42.637 42.059 0.008 0.000 1.186 149 L HN 0.484 nan 8.230 nan 0.000 0.453 150 P HA 0.072 nan 4.420 nan 0.000 0.276 150 P C -0.645 176.713 177.300 0.097 0.000 1.230 150 P CA -0.559 62.350 63.100 -0.318 0.000 0.776 150 P CB 0.595 31.691 31.700 -1.007 0.000 0.888 151 Q N 2.215 122.209 119.800 0.322 0.000 2.255 151 Q HA 0.352 4.692 4.340 -0.000 0.000 0.280 151 Q C 1.300 177.491 176.000 0.318 0.000 1.068 151 Q CA 1.771 57.790 55.803 0.359 0.000 0.911 151 Q CB -0.779 28.119 28.738 0.265 0.000 1.157 151 Q HN 0.779 nan 8.270 nan 0.000 0.380 152 G N 2.814 111.785 108.800 0.284 0.000 2.141 152 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 152 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 152 G C -0.628 174.457 174.900 0.309 0.000 0.982 152 G CA 0.055 45.319 45.100 0.274 0.000 0.662 152 G HN 0.611 nan 8.290 nan 0.000 0.527 153 W N 1.133 122.405 121.300 -0.046 0.000 2.449 153 W HA 0.675 5.335 4.660 -0.000 0.000 0.331 153 W C 1.110 177.547 176.519 -0.137 0.000 1.119 153 W CA -1.054 56.175 57.345 -0.193 0.000 1.240 153 W CB 0.997 30.170 29.460 -0.477 0.000 1.251 153 W HN -0.056 nan 8.180 nan 0.000 0.576 154 K N 2.069 122.020 120.400 -0.749 0.000 2.160 154 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 154 K C 1.495 177.468 176.600 -1.045 0.000 1.047 154 K CA 1.842 57.707 56.287 -0.703 0.000 0.930 154 K CB -0.511 31.739 32.500 -0.418 0.000 0.720 154 K HN 0.763 nan 8.250 nan 0.000 0.450 155 G N -0.782 106.763 108.800 -2.092 0.000 2.986 155 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.213 155 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.213 155 G C 1.180 175.373 174.900 -1.178 0.000 1.156 155 G CA -0.071 43.796 45.100 -2.055 0.000 0.763 155 G HN 0.187 nan 8.290 nan 0.000 0.547 156 S N 1.760 117.010 115.700 -0.750 0.000 2.383 156 S HA -0.078 4.391 4.470 -0.000 0.000 0.229 156 S C -0.191 174.046 174.600 -0.605 0.000 1.030 156 S CA 1.296 59.108 58.200 -0.647 0.000 1.002 156 S CB -0.562 62.072 63.200 -0.944 0.000 0.829 156 S HN 0.321 nan 8.310 nan 0.000 0.467 157 P HA 0.082 nan 4.420 nan 0.000 0.214 157 P C 1.632 178.828 177.300 -0.173 0.000 1.162 157 P CA 1.269 64.286 63.100 -0.139 0.000 0.871 157 P CB -0.140 31.490 31.700 -0.116 0.000 0.783 158 A N -0.494 122.125 122.820 -0.335 0.000 1.908 158 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 158 A C 2.228 179.665 177.584 -0.245 0.000 1.181 158 A CA 1.644 53.503 52.037 -0.297 0.000 0.627 158 A CB -1.744 17.006 19.000 -0.416 0.000 0.818 158 A HN 0.093 nan 8.150 nan 0.000 0.445 159 I N -2.210 118.161 120.570 -0.331 0.000 2.202 159 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 159 I C 2.360 178.418 176.117 -0.098 0.000 1.091 159 I CA 1.511 62.691 61.300 -0.200 0.000 1.368 159 I CB -0.363 37.523 38.000 -0.191 0.000 1.058 159 I HN 0.441 nan 8.210 nan 0.000 0.410 160 F N 1.762 121.630 119.950 -0.137 0.000 2.134 160 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 160 F C 2.599 178.385 175.800 -0.023 0.000 1.097 160 F CA 1.739 59.731 58.000 -0.013 0.000 1.264 160 F CB -0.261 38.830 39.000 0.152 0.000 1.001 160 F HN 0.035 nan 8.300 nan 0.000 0.479 161 Q N -0.247 119.600 119.800 0.078 0.000 2.030 161 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 161 Q C 2.433 178.361 176.000 -0.120 0.000 0.986 161 Q CA 2.292 58.094 55.803 -0.002 0.000 0.843 161 Q CB -0.473 28.260 28.738 -0.008 0.000 0.904 161 Q HN 0.345 nan 8.270 nan 0.000 0.420 162 S N 0.356 115.986 115.700 -0.115 0.000 2.359 162 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 162 S C 2.122 176.618 174.600 -0.173 0.000 1.035 162 S CA 1.332 59.465 58.200 -0.111 0.000 1.018 162 S CB -0.290 62.862 63.200 -0.080 0.000 0.876 162 S HN 0.303 nan 8.310 nan 0.000 0.448 163 S N 1.610 117.168 115.700 -0.236 0.000 2.359 163 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 163 S C 1.924 176.296 174.600 -0.380 0.000 1.039 163 S CA 1.858 59.876 58.200 -0.304 0.000 1.042 163 S CB -0.467 62.517 63.200 -0.361 0.000 0.915 163 S HN 0.454 nan 8.310 nan 0.000 0.439 164 M N 1.836 121.126 119.600 -0.516 0.000 2.202 164 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 164 M C 1.921 178.094 176.300 -0.212 0.000 1.063 164 M CA 1.605 56.667 55.300 -0.398 0.000 1.097 164 M CB -1.195 31.196 32.600 -0.348 0.000 1.382 164 M HN 0.205 nan 8.290 nan 0.000 0.413 165 T N 0.394 114.847 114.554 -0.169 0.000 2.708 165 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 165 T C 1.787 176.411 174.700 -0.127 0.000 1.037 165 T CA 1.708 63.744 62.100 -0.106 0.000 1.146 165 T CB -0.145 68.678 68.868 -0.076 0.000 0.865 165 T HN 0.449 nan 8.240 nan 0.000 0.435 166 K N 0.548 120.844 120.400 -0.173 0.000 2.057 166 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 166 K C 2.220 178.648 176.600 -0.286 0.000 1.049 166 K CA 1.148 57.313 56.287 -0.203 0.000 0.931 166 K CB -0.296 32.071 32.500 -0.222 0.000 0.714 166 K HN 0.336 nan 8.250 nan 0.000 0.440 167 I N 1.120 121.468 120.570 -0.371 0.000 2.179 167 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 167 I C 2.167 178.197 176.117 -0.145 0.000 1.088 167 I CA 1.314 62.324 61.300 -0.484 0.000 1.357 167 I CB -0.314 37.393 38.000 -0.487 0.000 1.051 167 I HN 0.149 nan 8.210 nan 0.000 0.409 168 L N 0.298 121.481 121.223 -0.065 0.000 2.156 168 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 168 L C 2.500 179.416 176.870 0.076 0.000 1.095 168 L CA 0.912 55.791 54.840 0.065 0.000 0.770 168 L CB -0.681 41.405 42.059 0.045 0.000 0.914 168 L HN 0.252 nan 8.230 nan 0.000 0.439 169 E N 1.392 121.588 120.200 -0.007 0.000 2.170 169 E HA -0.265 4.085 4.350 -0.000 0.000 0.229 169 E C -0.561 176.033 176.600 -0.009 0.000 1.074 169 E CA 2.827 59.216 56.400 -0.019 0.000 0.930 169 E CB -1.485 28.181 29.700 -0.057 0.000 0.806 169 E HN 0.306 nan 8.360 nan 0.000 0.478 170 P HA -0.153 nan 4.420 nan 0.000 0.216 170 P C 1.691 178.945 177.300 -0.076 0.000 1.153 170 P CA 1.549 64.635 63.100 -0.023 0.000 0.848 170 P CB -0.387 31.328 31.700 0.025 0.000 0.787 171 F N 1.503 121.320 119.950 -0.222 0.000 2.202 171 F HA -0.110 4.417 4.527 -0.000 0.000 0.301 171 F C 2.165 177.887 175.800 -0.131 0.000 1.082 171 F CA 1.625 59.472 58.000 -0.256 0.000 1.313 171 F CB -0.392 38.435 39.000 -0.288 0.000 1.024 171 F HN -0.219 nan 8.300 nan 0.000 0.495 172 K N 0.074 120.433 120.400 -0.068 0.000 2.167 172 K HA -0.143 4.177 4.320 -0.000 0.000 0.203 172 K C 2.149 178.652 176.600 -0.162 0.000 1.052 172 K CA 0.922 57.145 56.287 -0.105 0.000 0.956 172 K CB -0.121 32.384 32.500 0.008 0.000 0.735 172 K HN 0.185 nan 8.250 nan 0.000 0.451 173 K N 0.731 121.050 120.400 -0.134 0.000 2.147 173 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 173 K C 1.532 178.038 176.600 -0.157 0.000 1.049 173 K CA 1.180 57.398 56.287 -0.115 0.000 0.936 173 K CB 0.287 32.739 32.500 -0.080 0.000 0.722 173 K HN 0.032 nan 8.250 nan 0.000 0.446 174 Q N -0.014 119.642 119.800 -0.241 0.000 2.403 174 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 174 Q C -0.152 175.646 176.000 -0.336 0.000 0.932 174 Q CA 0.436 56.081 55.803 -0.263 0.000 0.945 174 Q CB 0.739 29.312 28.738 -0.274 0.000 1.045 174 Q HN 0.331 nan 8.270 nan 0.000 0.511 175 N N 0.686 119.152 118.700 -0.390 0.000 2.628 175 N HA 0.100 4.840 4.740 -0.000 0.000 0.299 175 N C -2.198 173.194 175.510 -0.198 0.000 1.834 175 N CA -0.721 52.120 53.050 -0.349 0.000 0.871 175 N CB 1.167 39.288 38.487 -0.610 0.000 1.377 175 N HN 0.039 nan 8.380 nan 0.000 0.493 176 P HA -0.086 nan 4.420 nan 0.000 0.231 176 P C -0.305 176.968 177.300 -0.044 0.000 1.154 176 P CA 1.151 64.204 63.100 -0.078 0.000 0.762 176 P CB 0.177 31.839 31.700 -0.065 0.000 0.790 177 D N -0.422 119.952 120.400 -0.044 0.000 2.696 177 D HA 0.301 4.941 4.640 -0.000 0.000 0.269 177 D C -0.004 176.303 176.300 0.012 0.000 1.319 177 D CA -0.033 53.962 54.000 -0.009 0.000 0.826 177 D CB 0.056 40.852 40.800 -0.008 0.000 1.086 177 D HN 0.184 nan 8.370 nan 0.000 0.481 178 I N 1.111 121.690 120.570 0.014 0.000 2.497 178 I HA 0.228 4.398 4.170 -0.000 0.000 0.284 178 I C -0.422 175.737 176.117 0.070 0.000 1.060 178 I CA -1.072 60.258 61.300 0.050 0.000 1.071 178 I CB 2.010 40.044 38.000 0.057 0.000 1.216 178 I HN -0.284 nan 8.210 nan 0.000 0.442 179 V N 7.043 127.013 119.914 0.094 0.000 2.555 179 V HA 0.272 4.392 4.120 -0.000 0.000 0.286 179 V C 0.255 176.443 176.094 0.157 0.000 1.044 179 V CA 0.077 62.450 62.300 0.122 0.000 1.026 179 V CB 0.930 32.880 31.823 0.212 0.000 0.981 179 V HN 0.477 nan 8.190 nan 0.000 0.480 180 I N 5.172 125.814 120.570 0.121 0.000 2.466 180 I HA 0.303 4.473 4.170 -0.000 0.000 0.279 180 I C -0.998 175.217 176.117 0.163 0.000 1.033 180 I CA -0.462 60.933 61.300 0.159 0.000 1.123 180 I CB 1.038 39.110 38.000 0.120 0.000 1.237 180 I HN 0.506 nan 8.210 nan 0.000 0.460 181 Y N 5.193 125.644 120.300 0.252 0.000 2.585 181 Y HA 0.099 4.649 4.550 -0.000 0.000 0.354 181 Y C 0.884 176.956 175.900 0.286 0.000 1.024 181 Y CA 0.215 58.466 58.100 0.251 0.000 1.321 181 Y CB 0.492 39.094 38.460 0.237 0.000 1.151 181 Y HN 0.498 nan 8.280 nan 0.000 0.525 182 Q N 5.097 125.069 119.800 0.286 0.000 2.441 182 Q HA 0.099 4.439 4.340 -0.000 0.000 0.234 182 Q C -1.776 174.402 176.000 0.296 0.000 1.078 182 Q CA -0.578 55.374 55.803 0.248 0.000 0.907 182 Q CB 0.308 29.125 28.738 0.131 0.000 1.269 182 Q HN 0.713 nan 8.270 nan 0.000 0.502 183 Y N 6.269 126.679 120.300 0.183 0.000 2.478 183 Y HA 0.199 4.749 4.550 -0.000 0.000 0.329 183 Y C 0.442 176.396 175.900 0.089 0.000 0.967 183 Y CA -0.444 57.723 58.100 0.112 0.000 1.255 183 Y CB 0.491 38.983 38.460 0.054 0.000 1.103 183 Y HN 0.982 nan 8.280 nan 0.000 0.497 184 M N 2.463 121.898 119.600 -0.274 0.000 7.319 184 M HA -0.382 4.098 4.480 -0.000 0.000 0.312 184 M C 0.355 176.721 176.300 0.110 0.000 0.480 184 M CA 2.751 57.969 55.300 -0.137 0.000 1.311 184 M CB -0.976 31.398 32.600 -0.377 0.000 0.421 184 M HN 0.708 nan 8.290 nan 0.000 0.740 185 D N 0.068 120.435 120.400 -0.056 0.000 2.395 185 D HA 0.340 4.980 4.640 -0.000 0.000 0.226 185 D C -0.410 175.921 176.300 0.051 0.000 1.146 185 D CA 0.484 54.479 54.000 -0.008 0.000 0.830 185 D CB -0.554 40.056 40.800 -0.317 0.000 0.958 185 D HN 0.609 nan 8.370 nan 0.000 0.501 186 D N 0.124 120.590 120.400 0.110 0.000 2.375 186 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 186 D C -0.984 175.449 176.300 0.221 0.000 1.061 186 D CA -0.693 53.396 54.000 0.149 0.000 0.834 186 D CB 1.243 42.145 40.800 0.170 0.000 1.247 186 D HN -0.003 nan 8.370 nan 0.000 0.489 187 L N 4.179 125.508 121.223 0.177 0.000 2.342 187 L HA 0.332 4.672 4.340 -0.000 0.000 0.276 187 L C -1.110 175.862 176.870 0.171 0.000 0.997 187 L CA -1.291 53.661 54.840 0.186 0.000 0.838 187 L CB 1.225 43.337 42.059 0.087 0.000 1.224 187 L HN 0.517 nan 8.230 nan 0.000 0.416 188 Y N 4.706 125.084 120.300 0.130 0.000 2.350 188 Y HA 0.565 5.115 4.550 -0.000 0.000 0.340 188 Y C -0.816 175.054 175.900 -0.049 0.000 1.006 188 Y CA -0.563 57.482 58.100 -0.091 0.000 1.166 188 Y CB 1.153 39.389 38.460 -0.373 0.000 1.168 188 Y HN 0.245 nan 8.280 nan 0.000 0.502 189 V N 6.107 125.680 119.914 -0.568 0.000 2.540 189 V HA 0.870 4.990 4.120 -0.000 0.000 0.302 189 V C 0.106 175.878 176.094 -0.536 0.000 1.035 189 V CA -0.316 61.763 62.300 -0.369 0.000 0.873 189 V CB 1.380 33.091 31.823 -0.186 0.000 0.992 189 V HN 1.037 nan 8.190 nan 0.000 0.428 190 G N 2.191 110.836 108.800 -0.258 0.000 2.696 190 G HA2 0.811 4.771 3.960 -0.000 0.000 0.295 190 G HA3 0.811 4.771 3.960 -0.000 0.000 0.295 190 G C -0.921 174.035 174.900 0.093 0.000 1.398 190 G CA 0.034 45.069 45.100 -0.109 0.000 0.920 190 G HN 1.123 nan 8.290 nan 0.000 0.492 191 S N -0.853 114.939 115.700 0.153 0.000 2.672 191 S HA 0.559 5.029 4.470 -0.000 0.000 0.271 191 S C -1.451 173.212 174.600 0.104 0.000 1.171 191 S CA -0.744 57.544 58.200 0.147 0.000 0.817 191 S CB 2.156 65.482 63.200 0.210 0.000 1.150 191 S HN 0.317 nan 8.310 nan 0.000 0.478 192 D N 1.109 121.560 120.400 0.085 0.000 2.738 192 D HA 0.373 5.013 4.640 -0.000 0.000 0.246 192 D C -0.067 176.270 176.300 0.061 0.000 1.270 192 D CA 0.007 54.040 54.000 0.055 0.000 0.833 192 D CB 0.079 40.905 40.800 0.043 0.000 1.040 192 D HN 0.385 nan 8.370 nan 0.000 0.487 193 L N 0.393 121.677 121.223 0.102 0.000 2.431 193 L HA 0.248 4.587 4.340 -0.000 0.000 0.260 193 L C 0.937 177.855 176.870 0.079 0.000 1.098 193 L CA -0.818 54.085 54.840 0.104 0.000 0.800 193 L CB 0.883 43.038 42.059 0.158 0.000 1.210 193 L HN -0.196 nan 8.230 nan 0.000 0.465 194 E N 1.057 121.300 120.200 0.071 0.000 2.316 194 E HA 0.079 4.429 4.350 -0.000 0.000 0.275 194 E C 1.200 177.843 176.600 0.072 0.000 1.029 194 E CA -0.343 56.089 56.400 0.052 0.000 0.871 194 E CB 1.091 30.817 29.700 0.043 0.000 1.022 194 E HN 0.390 nan 8.360 nan 0.000 0.418 195 I N 2.350 122.945 120.570 0.041 0.000 2.244 195 I HA -0.348 3.822 4.170 -0.000 0.000 0.252 195 I C 1.750 177.926 176.117 0.098 0.000 1.062 195 I CA 2.102 63.432 61.300 0.051 0.000 1.342 195 I CB -1.400 36.619 38.000 0.031 0.000 1.031 195 I HN 0.610 nan 8.210 nan 0.000 0.433 196 G N 0.043 108.890 108.800 0.078 0.000 2.547 196 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 196 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 196 G C 1.365 176.317 174.900 0.087 0.000 1.254 196 G CA 0.521 45.664 45.100 0.073 0.000 0.817 196 G HN 0.469 nan 8.290 nan 0.000 0.551 197 Q N -0.394 119.452 119.800 0.077 0.000 2.224 197 Q HA -0.312 4.028 4.340 -0.000 0.000 0.213 197 Q C 2.187 178.239 176.000 0.086 0.000 0.998 197 Q CA 1.968 57.813 55.803 0.069 0.000 0.895 197 Q CB -0.433 28.342 28.738 0.061 0.000 0.926 197 Q HN 0.767 nan 8.270 nan 0.000 0.417 198 H N 0.512 119.598 119.070 0.026 0.000 2.270 198 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 198 H C 2.173 177.518 175.328 0.028 0.000 1.077 198 H CA 1.735 57.798 56.048 0.025 0.000 1.294 198 H CB 0.142 29.915 29.762 0.018 0.000 1.371 198 H HN -0.056 nan 8.280 nan 0.000 0.491 199 R N -0.201 120.397 120.500 0.164 0.000 2.105 199 R HA -0.078 4.262 4.340 -0.000 0.000 0.239 199 R C 2.224 178.538 176.300 0.024 0.000 1.135 199 R CA 1.860 58.014 56.100 0.089 0.000 0.967 199 R CB -0.739 29.624 30.300 0.105 0.000 0.861 199 R HN 0.419 nan 8.270 nan 0.000 0.442 200 T N -0.124 114.448 114.554 0.031 0.000 3.051 200 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 200 T C 1.418 176.128 174.700 0.016 0.000 1.127 200 T CA 1.068 63.183 62.100 0.025 0.000 1.107 200 T CB -0.053 68.834 68.868 0.032 0.000 0.898 200 T HN 0.040 nan 8.240 nan 0.000 0.517 201 K N 0.763 121.152 120.400 -0.019 0.000 2.168 201 K HA 0.276 4.596 4.320 -0.000 0.000 0.201 201 K C 1.891 178.475 176.600 -0.027 0.000 1.049 201 K CA 0.154 56.444 56.287 0.004 0.000 0.974 201 K CB -0.277 32.198 32.500 -0.042 0.000 0.792 201 K HN 0.103 nan 8.250 nan 0.000 0.463 202 I N 1.584 122.072 120.570 -0.137 0.000 2.454 202 I HA -0.187 3.983 4.170 -0.000 0.000 0.254 202 I C 1.943 178.016 176.117 -0.074 0.000 1.156 202 I CA 1.318 62.535 61.300 -0.138 0.000 1.433 202 I CB -0.759 37.168 38.000 -0.123 0.000 1.082 202 I HN 0.257 nan 8.210 nan 0.000 0.432 203 E N 1.317 121.500 120.200 -0.029 0.000 2.016 203 E HA -0.233 4.116 4.350 -0.000 0.000 0.190 203 E C 2.106 178.707 176.600 0.001 0.000 0.985 203 E CA 1.522 57.920 56.400 -0.004 0.000 0.802 203 E CB -0.335 29.375 29.700 0.016 0.000 0.762 203 E HN 0.405 nan 8.360 nan 0.000 0.448 204 E N -0.439 119.780 120.200 0.031 0.000 2.169 204 E HA -0.266 4.084 4.350 -0.000 0.000 0.202 204 E C 2.079 178.700 176.600 0.036 0.000 1.016 204 E CA 1.491 57.939 56.400 0.080 0.000 0.817 204 E CB -0.238 29.555 29.700 0.154 0.000 0.736 204 E HN 0.259 nan 8.360 nan 0.000 0.462 205 L N 0.900 122.043 121.223 -0.134 0.000 2.023 205 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 205 L C 2.362 179.133 176.870 -0.166 0.000 1.073 205 L CA 1.651 56.230 54.840 -0.434 0.000 0.745 205 L CB -0.272 41.393 42.059 -0.656 0.000 0.900 205 L HN -0.018 nan 8.230 nan 0.000 0.435 206 R N -0.789 119.651 120.500 -0.100 0.000 2.117 206 R HA -0.223 4.117 4.340 -0.000 0.000 0.243 206 R C 2.250 178.556 176.300 0.010 0.000 1.143 206 R CA 1.913 57.991 56.100 -0.036 0.000 0.968 206 R CB -0.559 29.729 30.300 -0.020 0.000 0.863 206 R HN 0.582 nan 8.270 nan 0.000 0.444 207 Q N -0.588 119.230 119.800 0.031 0.000 2.020 207 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 207 Q C 2.086 178.149 176.000 0.105 0.000 0.982 207 Q CA 1.766 57.605 55.803 0.060 0.000 0.838 207 Q CB -0.244 28.537 28.738 0.071 0.000 0.899 207 Q HN 0.454 nan 8.270 nan 0.000 0.423 208 H N 0.675 119.771 119.070 0.044 0.000 2.353 208 H HA -0.126 4.430 4.556 -0.000 0.000 0.298 208 H C 1.778 177.240 175.328 0.224 0.000 1.103 208 H CA 1.691 57.820 56.048 0.135 0.000 1.293 208 H CB -0.212 29.617 29.762 0.112 0.000 1.372 208 H HN 0.128 nan 8.280 nan 0.000 0.501 209 L N -0.766 120.479 121.223 0.035 0.000 2.056 209 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 209 L C 2.487 179.392 176.870 0.058 0.000 1.078 209 L CA 0.931 55.782 54.840 0.019 0.000 0.749 209 L CB -0.460 41.612 42.059 0.021 0.000 0.901 209 L HN 0.299 nan 8.230 nan 0.000 0.433 210 L N 0.723 121.966 121.223 0.033 0.000 2.012 210 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 210 L C 3.115 179.967 176.870 -0.030 0.000 1.073 210 L CA 2.529 57.380 54.840 0.017 0.000 0.748 210 L CB -0.921 41.145 42.059 0.011 0.000 0.891 210 L HN 0.196 nan 8.230 nan 0.000 0.431 211 R N -1.185 119.271 120.500 -0.072 0.000 2.170 211 R HA -0.236 4.103 4.340 -0.000 0.000 0.242 211 R C 1.697 177.727 176.300 -0.450 0.000 1.145 211 R CA 2.116 58.079 56.100 -0.229 0.000 0.984 211 R CB -2.232 27.941 30.300 -0.213 0.000 0.869 211 R HN 0.750 nan 8.270 nan 0.000 0.455 212 W N -1.401 119.815 121.300 -0.140 0.000 3.239 212 W HA 0.419 5.079 4.660 -0.000 0.000 0.348 212 W C 1.546 178.030 176.519 -0.057 0.000 1.183 212 W CA 0.435 57.707 57.345 -0.123 0.000 1.819 212 W CB 0.587 29.924 29.460 -0.206 0.000 1.091 212 W HN 0.561 nan 8.180 nan 0.000 0.629 213 G N -0.199 108.654 108.800 0.088 0.000 2.195 213 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 213 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 213 G C -0.166 174.812 174.900 0.129 0.000 0.984 213 G CA -0.366 44.794 45.100 0.100 0.000 0.633 213 G HN -0.015 nan 8.290 nan 0.000 0.525 214 L N 2.444 123.750 121.223 0.138 0.000 2.261 214 L HA 0.544 4.884 4.340 -0.000 0.000 0.289 214 L C 1.125 178.050 176.870 0.092 0.000 1.059 214 L CA 0.317 55.239 54.840 0.137 0.000 0.816 214 L CB 0.357 42.500 42.059 0.139 0.000 1.191 214 L HN 0.389 nan 8.230 nan 0.000 0.431 215 T N 0.565 115.171 114.554 0.087 0.000 2.856 215 T HA 0.417 4.767 4.350 -0.000 0.000 0.292 215 T C 0.428 175.158 174.700 0.050 0.000 0.980 215 T CA -0.408 61.728 62.100 0.059 0.000 1.091 215 T CB 0.563 69.464 68.868 0.056 0.000 0.936 215 T HN 0.648 nan 8.240 nan 0.000 0.503 216 T N 2.998 117.574 114.554 0.037 0.000 3.378 216 T HA 0.466 4.816 4.350 -0.000 0.000 0.359 216 T C -2.605 172.112 174.700 0.029 0.000 1.815 216 T CA -1.529 60.589 62.100 0.029 0.000 1.509 216 T CB 0.027 68.905 68.868 0.017 0.000 1.049 216 T HN 0.464 nan 8.240 nan 0.000 0.705 217 P HA -0.008 nan 4.420 nan 0.000 0.271 217 P C 0.099 177.422 177.300 0.038 0.000 1.212 217 P CA -0.020 63.098 63.100 0.030 0.000 0.788 217 P CB 0.438 32.153 31.700 0.025 0.000 0.865 218 D N 1.646 122.069 120.400 0.037 0.000 2.934 218 D HA 0.008 4.648 4.640 -0.000 0.000 0.237 218 D C 0.494 176.828 176.300 0.056 0.000 1.158 218 D CA 0.458 54.485 54.000 0.046 0.000 0.971 218 D CB -0.306 40.517 40.800 0.038 0.000 1.123 218 D HN 0.457 nan 8.370 nan 0.000 0.467 219 K N -0.093 120.349 120.400 0.071 0.000 3.239 219 K HA 0.227 4.547 4.320 -0.000 0.000 0.204 219 K C -0.430 176.264 176.600 0.156 0.000 1.126 219 K CA -0.907 55.437 56.287 0.096 0.000 0.948 219 K CB 0.259 32.801 32.500 0.069 0.000 0.818 219 K HN -0.166 nan 8.250 nan 0.000 0.480 220 K N -0.076 120.425 120.400 0.167 0.000 2.324 220 K HA 0.325 4.645 4.320 -0.000 0.000 0.253 220 K C -1.249 175.532 176.600 0.302 0.000 0.932 220 K CA -0.636 55.765 56.287 0.189 0.000 0.799 220 K CB 0.726 33.276 32.500 0.082 0.000 1.154 220 K HN 0.255 nan 8.250 nan 0.000 0.425 221 H N 2.701 121.810 119.070 0.064 0.000 2.723 221 H HA 0.146 4.702 4.556 -0.000 0.000 0.294 221 H C -0.630 174.789 175.328 0.151 0.000 1.079 221 H CA -0.944 55.200 56.048 0.160 0.000 1.411 221 H CB 1.035 30.971 29.762 0.290 0.000 1.439 221 H HN 0.669 nan 8.280 nan 0.000 0.474 222 Q N 2.357 122.336 119.800 0.299 0.000 2.316 222 Q HA 0.295 4.635 4.340 -0.000 0.000 0.264 222 Q C -0.512 175.651 176.000 0.272 0.000 0.987 222 Q CA -1.401 54.539 55.803 0.228 0.000 0.852 222 Q CB 2.012 30.835 28.738 0.142 0.000 1.287 222 Q HN 0.519 nan 8.270 nan 0.000 0.448 223 K N 1.299 121.874 120.400 0.292 0.000 3.264 223 K HA -0.256 4.064 4.320 -0.000 0.000 0.267 223 K C -0.644 176.021 176.600 0.108 0.000 0.886 223 K CA 1.192 57.593 56.287 0.190 0.000 0.665 223 K CB -1.073 31.485 32.500 0.097 0.000 1.447 223 K HN 0.727 nan 8.250 nan 0.000 0.464 224 E N 0.009 120.300 120.200 0.153 0.000 3.167 224 E HA 0.086 4.436 4.350 -0.000 0.000 0.210 224 E C -2.401 173.946 176.600 -0.421 0.000 1.004 224 E CA -1.642 54.744 56.400 -0.023 0.000 1.256 224 E CB 0.699 30.507 29.700 0.179 0.000 1.193 224 E HN 0.256 nan 8.360 nan 0.000 0.448 225 P HA 0.082 nan 4.420 nan 0.000 0.268 225 P C -2.517 174.608 177.300 -0.292 0.000 1.205 225 P CA -1.149 61.505 63.100 -0.744 0.000 0.771 225 P CB 0.060 31.435 31.700 -0.542 0.000 0.858 226 P HA 0.163 nan 4.420 nan 0.000 0.267 226 P C -0.640 176.617 177.300 -0.072 0.000 1.209 226 P CA 0.423 63.326 63.100 -0.327 0.000 0.763 226 P CB 0.031 31.592 31.700 -0.231 0.000 0.816 227 F N 2.820 122.820 119.950 0.084 0.000 2.404 227 F HA 0.249 4.776 4.527 -0.000 0.000 0.358 227 F C 0.727 176.720 175.800 0.321 0.000 1.120 227 F CA -0.997 57.175 58.000 0.286 0.000 1.144 227 F CB 0.623 39.739 39.000 0.192 0.000 1.133 227 F HN 0.006 nan 8.300 nan 0.000 0.495 228 L N 4.483 126.108 121.223 0.670 0.000 2.295 228 L HA 0.175 4.515 4.340 -0.000 0.000 0.288 228 L C -0.989 176.177 176.870 0.492 0.000 1.079 228 L CA -0.140 54.997 54.840 0.495 0.000 0.830 228 L CB 0.222 42.526 42.059 0.408 0.000 1.200 228 L HN 0.644 nan 8.230 nan 0.000 0.438 229 W N 6.584 128.001 121.300 0.194 0.000 3.042 229 W HA 0.412 5.072 4.660 -0.000 0.000 0.337 229 W C -0.016 176.566 176.519 0.105 0.000 1.086 229 W CA -0.796 56.612 57.345 0.105 0.000 1.236 229 W CB 1.225 30.728 29.460 0.072 0.000 1.381 229 W HN 0.337 nan 8.180 nan 0.000 0.472 230 M N 5.178 124.456 119.600 -0.536 0.000 2.703 230 M HA -0.225 4.254 4.480 -0.000 0.000 0.186 230 M C 1.066 177.092 176.300 -0.458 0.000 0.582 230 M CA 2.034 56.916 55.300 -0.696 0.000 0.578 230 M CB -2.335 29.456 32.600 -1.348 0.000 2.115 230 M HN 1.573 nan 8.290 nan 0.000 0.611 231 G N -1.639 106.992 108.800 -0.283 0.000 2.159 231 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.227 231 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.227 231 G C -0.322 174.372 174.900 -0.343 0.000 0.986 231 G CA 0.299 45.197 45.100 -0.336 0.000 0.651 231 G HN 0.563 nan 8.290 nan 0.000 0.523 232 Y N -0.075 120.331 120.300 0.176 0.000 2.659 232 Y HA 0.727 5.277 4.550 -0.000 0.000 0.333 232 Y C 0.428 176.513 175.900 0.308 0.000 1.064 232 Y CA -1.211 57.059 58.100 0.284 0.000 1.141 232 Y CB 1.222 39.843 38.460 0.268 0.000 1.316 232 Y HN 0.065 nan 8.280 nan 0.000 0.509 233 E N 1.717 122.220 120.200 0.505 0.000 2.199 233 E HA 0.459 4.809 4.350 -0.000 0.000 0.265 233 E C -1.578 175.209 176.600 0.312 0.000 0.882 233 E CA -0.572 56.018 56.400 0.318 0.000 0.759 233 E CB 1.969 31.799 29.700 0.216 0.000 1.148 233 E HN 0.417 nan 8.360 nan 0.000 0.412 234 L N 3.854 125.225 121.223 0.247 0.000 2.272 234 L HA 0.407 4.747 4.340 -0.000 0.000 0.289 234 L C -0.344 176.560 176.870 0.058 0.000 1.032 234 L CA -0.555 54.481 54.840 0.327 0.000 0.810 234 L CB 0.460 42.757 42.059 0.395 0.000 1.205 234 L HN 0.495 nan 8.230 nan 0.000 0.422 235 H N 2.662 121.935 119.070 0.339 0.000 2.595 235 H HA 0.303 4.859 4.556 -0.000 0.000 0.346 235 H C -1.723 173.771 175.328 0.277 0.000 1.181 235 H CA -1.702 54.451 56.048 0.174 0.000 1.242 235 H CB 0.888 30.701 29.762 0.085 0.000 1.652 235 H HN 0.281 nan 8.280 nan 0.000 0.548 236 P HA -0.193 nan 4.420 nan 0.000 0.217 236 P C 0.146 177.653 177.300 0.345 0.000 1.151 236 P CA 1.722 64.986 63.100 0.272 0.000 0.849 236 P CB 0.362 32.146 31.700 0.139 0.000 0.787 237 D N -3.625 116.903 120.400 0.213 0.000 2.502 237 D HA 0.135 4.775 4.640 -0.000 0.000 0.232 237 D C 0.864 177.077 176.300 -0.145 0.000 1.137 237 D CA 0.405 54.455 54.000 0.082 0.000 0.827 237 D CB 0.745 41.579 40.800 0.056 0.000 1.141 237 D HN 0.135 nan 8.370 nan 0.000 0.517 238 K N 1.163 121.498 120.400 -0.109 0.000 2.512 238 K HA 0.599 4.919 4.320 -0.000 0.000 0.263 238 K C -1.649 175.002 176.600 0.084 0.000 0.966 238 K CA -1.027 55.173 56.287 -0.146 0.000 0.851 238 K CB 1.871 34.355 32.500 -0.026 0.000 1.395 238 K HN 0.204 nan 8.250 nan 0.000 0.440 239 W N 0.502 121.808 121.300 0.010 0.000 2.950 239 W HA 0.773 5.433 4.660 -0.000 0.000 0.340 239 W C -0.641 176.017 176.519 0.230 0.000 1.139 239 W CA -0.567 56.908 57.345 0.217 0.000 1.188 239 W CB 1.124 30.722 29.460 0.231 0.000 1.426 239 W HN 0.890 nan 8.180 nan 0.000 0.531 240 T N 0.583 115.487 114.554 0.585 0.000 2.893 240 T HA 0.413 4.763 4.350 -0.000 0.000 0.291 240 T C -1.183 173.876 174.700 0.598 0.000 1.028 240 T CA -0.449 61.869 62.100 0.364 0.000 0.995 240 T CB 2.078 71.112 68.868 0.275 0.000 1.051 240 T HN 0.593 nan 8.240 nan 0.000 0.470 241 V N 4.732 124.908 119.914 0.437 0.000 2.530 241 V HA 0.395 4.515 4.120 -0.000 0.000 0.282 241 V C 0.373 176.649 176.094 0.304 0.000 1.048 241 V CA -0.194 62.370 62.300 0.440 0.000 0.997 241 V CB 0.768 32.717 31.823 0.210 0.000 0.987 241 V HN 1.068 nan 8.190 nan 0.000 0.477 242 Q N 7.729 127.691 119.800 0.271 0.000 2.349 242 Q HA 0.178 4.518 4.340 -0.000 0.000 0.287 242 Q C -2.068 174.070 176.000 0.231 0.000 1.044 242 Q CA -0.927 55.006 55.803 0.217 0.000 0.918 242 Q CB 0.215 29.042 28.738 0.149 0.000 1.242 242 Q HN 0.648 nan 8.270 nan 0.000 0.405 243 P HA -0.191 nan 4.420 nan 0.000 0.262 243 P C -0.887 176.531 177.300 0.198 0.000 1.151 243 P CA 1.042 64.252 63.100 0.185 0.000 0.757 243 P CB 0.246 32.023 31.700 0.128 0.000 0.754 244 I N 4.332 125.038 120.570 0.227 0.000 2.405 244 I HA 0.249 4.419 4.170 -0.000 0.000 0.280 244 I C -0.439 175.763 176.117 0.141 0.000 1.027 244 I CA -1.179 60.258 61.300 0.229 0.000 1.161 244 I CB 1.286 39.500 38.000 0.357 0.000 1.300 244 I HN 0.071 nan 8.210 nan 0.000 0.463 245 V N 7.189 127.166 119.914 0.104 0.000 2.370 245 V HA 0.536 4.655 4.120 -0.000 0.000 0.283 245 V C -0.167 175.971 176.094 0.073 0.000 1.023 245 V CA -0.693 61.649 62.300 0.071 0.000 0.857 245 V CB 1.161 33.015 31.823 0.052 0.000 0.985 245 V HN 0.663 nan 8.190 nan 0.000 0.443 246 L N 2.974 124.243 121.223 0.075 0.000 2.312 246 L HA 0.712 5.052 4.340 -0.000 0.000 0.281 246 L C -2.366 174.568 176.870 0.108 0.000 1.070 246 L CA -1.929 52.969 54.840 0.097 0.000 0.805 246 L CB 0.455 42.576 42.059 0.103 0.000 1.174 246 L HN 0.329 nan 8.230 nan 0.000 0.434 247 P HA 0.013 nan 4.420 nan 0.000 0.259 247 P C -0.198 177.199 177.300 0.162 0.000 1.211 247 P CA 0.143 63.291 63.100 0.080 0.000 0.810 247 P CB 0.231 31.954 31.700 0.039 0.000 0.815 248 E N 2.655 122.924 120.200 0.114 0.000 2.296 248 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 248 E C -0.246 176.405 176.600 0.086 0.000 1.143 248 E CA -0.486 56.022 56.400 0.180 0.000 1.145 248 E CB -0.131 29.635 29.700 0.110 0.000 1.215 248 E HN 0.393 nan 8.360 nan 0.000 0.447 249 K N 1.710 122.015 120.400 -0.157 0.000 2.397 249 K HA -0.060 4.259 4.320 -0.000 0.000 0.265 249 K C 0.524 176.888 176.600 -0.394 0.000 0.982 249 K CA 0.537 56.593 56.287 -0.385 0.000 0.931 249 K CB 0.464 32.594 32.500 -0.616 0.000 0.943 249 K HN 0.198 nan 8.250 nan 0.000 0.501 250 D N 0.519 120.746 120.400 -0.288 0.000 2.106 250 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 250 D C 0.157 176.339 176.300 -0.197 0.000 0.988 250 D CA 1.202 55.109 54.000 -0.154 0.000 0.845 250 D CB -0.148 40.582 40.800 -0.116 0.000 0.990 250 D HN 0.271 nan 8.370 nan 0.000 0.448 251 S N -1.761 113.743 115.700 -0.327 0.000 2.707 251 S HA 0.516 4.986 4.470 -0.000 0.000 0.276 251 S C -0.976 173.263 174.600 -0.601 0.000 1.179 251 S CA -0.760 57.309 58.200 -0.220 0.000 0.992 251 S CB 0.646 63.783 63.200 -0.105 0.000 1.030 251 S HN 0.392 nan 8.310 nan 0.000 0.554 252 W N 0.831 122.130 121.300 -0.003 0.000 2.802 252 W HA 0.376 5.036 4.660 -0.000 0.000 0.331 252 W C -0.080 176.438 176.519 -0.001 0.000 1.021 252 W CA -0.725 56.619 57.345 -0.002 0.000 1.259 252 W CB 0.665 30.124 29.460 -0.001 0.000 1.323 252 W HN 0.671 nan 8.180 nan 0.000 0.432 253 T N -0.978 113.660 114.554 0.140 0.000 2.922 253 T HA 0.241 4.591 4.350 -0.000 0.000 0.285 253 T C 0.874 175.650 174.700 0.128 0.000 1.005 253 T CA -0.477 61.682 62.100 0.097 0.000 1.061 253 T CB 1.920 70.809 68.868 0.036 0.000 1.007 253 T HN 0.382 nan 8.240 nan 0.000 0.502 254 V N 2.449 122.419 119.914 0.094 0.000 2.250 254 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 254 V C 2.592 178.740 176.094 0.089 0.000 1.065 254 V CA 2.855 65.206 62.300 0.084 0.000 1.039 254 V CB -1.103 30.753 31.823 0.055 0.000 0.647 254 V HN 1.083 nan 8.190 nan 0.000 0.446 255 N N -0.065 118.676 118.700 0.068 0.000 2.132 255 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 255 N C 1.594 177.154 175.510 0.083 0.000 1.015 255 N CA 2.237 55.322 53.050 0.059 0.000 0.864 255 N CB -0.515 37.993 38.487 0.035 0.000 1.006 255 N HN 0.670 nan 8.380 nan 0.000 0.430 256 D N 0.589 121.058 120.400 0.114 0.000 2.144 256 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 256 D C 2.128 178.588 176.300 0.268 0.000 0.984 256 D CA 0.568 54.670 54.000 0.171 0.000 0.834 256 D CB -0.044 40.863 40.800 0.178 0.000 0.955 256 D HN 0.422 nan 8.370 nan 0.000 0.465 257 I N 0.884 121.598 120.570 0.239 0.000 2.127 257 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 257 I C 2.694 178.876 176.117 0.107 0.000 1.075 257 I CA 0.810 62.204 61.300 0.157 0.000 1.334 257 I CB -0.443 37.611 38.000 0.090 0.000 1.040 257 I HN 0.080 nan 8.210 nan 0.000 0.405 258 C N 0.738 120.091 119.300 0.088 0.000 2.393 258 C HA -0.239 4.221 4.460 -0.000 0.000 0.276 258 C C 2.851 177.886 174.990 0.075 0.000 1.215 258 C CA 1.268 60.327 59.018 0.068 0.000 1.743 258 C CB -1.025 26.748 27.740 0.055 0.000 2.044 258 C HN 0.461 nan 8.230 nan 0.000 0.464 259 K N -0.068 120.383 120.400 0.084 0.000 2.360 259 K HA -0.160 4.159 4.320 -0.000 0.000 0.201 259 K C 1.758 178.420 176.600 0.104 0.000 1.046 259 K CA 0.987 57.322 56.287 0.079 0.000 0.945 259 K CB -0.137 32.406 32.500 0.070 0.000 0.750 259 K HN 0.418 nan 8.250 nan 0.000 0.464 260 L N -0.220 121.081 121.223 0.129 0.000 2.189 260 L HA -0.021 4.319 4.340 -0.000 0.000 0.199 260 L C 2.008 178.930 176.870 0.087 0.000 1.074 260 L CA 1.017 55.934 54.840 0.127 0.000 0.783 260 L CB -0.588 41.554 42.059 0.139 0.000 0.955 260 L HN -0.010 nan 8.230 nan 0.000 0.460 261 V N 0.183 120.137 119.914 0.067 0.000 2.287 261 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 261 V C 2.330 178.477 176.094 0.087 0.000 1.053 261 V CA 2.249 64.584 62.300 0.058 0.000 1.027 261 V CB -1.047 30.801 31.823 0.043 0.000 0.646 261 V HN 0.592 nan 8.190 nan 0.000 0.447 262 G N -0.758 108.096 108.800 0.090 0.000 2.446 262 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 262 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 262 G C 1.705 176.698 174.900 0.155 0.000 1.168 262 G CA 0.961 46.125 45.100 0.107 0.000 0.771 262 G HN 0.487 nan 8.290 nan 0.000 0.551 263 K N -0.139 120.347 120.400 0.142 0.000 2.057 263 K HA 0.031 4.350 4.320 -0.000 0.000 0.207 263 K C 2.602 179.351 176.600 0.248 0.000 1.049 263 K CA 0.765 57.169 56.287 0.195 0.000 0.931 263 K CB -0.332 32.256 32.500 0.145 0.000 0.714 263 K HN 0.328 nan 8.250 nan 0.000 0.440 264 L N 1.029 122.351 121.223 0.166 0.000 1.994 264 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 264 L C 2.197 179.161 176.870 0.156 0.000 1.071 264 L CA 1.067 55.989 54.840 0.136 0.000 0.745 264 L CB -0.625 41.479 42.059 0.076 0.000 0.892 264 L HN 0.197 nan 8.230 nan 0.000 0.431 265 N N -0.164 118.630 118.700 0.158 0.000 2.061 265 N HA -0.290 4.450 4.740 -0.000 0.000 0.193 265 N C 1.557 177.193 175.510 0.210 0.000 1.030 265 N CA 1.736 54.882 53.050 0.160 0.000 0.856 265 N CB -0.461 38.122 38.487 0.159 0.000 1.023 265 N HN 0.551 nan 8.380 nan 0.000 0.424 266 W N 1.913 123.267 121.300 0.089 0.000 2.325 266 W HA -0.226 4.434 4.660 -0.000 0.000 0.299 266 W C 1.831 178.435 176.519 0.141 0.000 1.215 266 W CA 1.759 59.162 57.345 0.097 0.000 1.244 266 W CB -0.163 29.337 29.460 0.066 0.000 1.140 266 W HN 0.053 nan 8.180 nan 0.000 0.523 267 A N 0.741 123.589 122.820 0.047 0.000 1.968 267 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 267 A C 1.954 179.558 177.584 0.033 0.000 1.169 267 A CA 1.761 53.822 52.037 0.039 0.000 0.638 267 A CB -1.126 18.034 19.000 0.266 0.000 0.812 267 A HN 0.323 nan 8.150 nan 0.000 0.446 268 S N 0.940 116.666 115.700 0.043 0.000 2.461 268 S HA -0.319 4.151 4.470 -0.000 0.000 0.246 268 S C 1.855 176.430 174.600 -0.041 0.000 1.007 268 S CA 1.630 59.839 58.200 0.014 0.000 0.976 268 S CB -0.611 62.603 63.200 0.022 0.000 0.763 268 S HN 0.924 nan 8.310 nan 0.000 0.508 269 Q N 0.115 119.874 119.800 -0.068 0.000 2.297 269 Q HA 0.124 4.464 4.340 -0.000 0.000 0.204 269 Q C 1.816 177.816 176.000 -0.000 0.000 0.962 269 Q CA 1.049 56.837 55.803 -0.024 0.000 0.879 269 Q CB -0.170 28.560 28.738 -0.015 0.000 0.947 269 Q HN 0.585 nan 8.270 nan 0.000 0.462 270 I N -1.699 118.793 120.570 -0.130 0.000 4.706 270 I HA 0.189 4.359 4.170 -0.000 0.000 0.321 270 I C -0.710 175.219 176.117 -0.312 0.000 1.249 270 I CA -0.624 60.533 61.300 -0.238 0.000 1.321 270 I CB 0.786 38.547 38.000 -0.398 0.000 1.342 270 I HN -0.027 nan 8.210 nan 0.000 0.463 271 Y N 4.337 124.595 120.300 -0.069 0.000 2.624 271 Y HA 0.390 4.940 4.550 -0.000 0.000 0.354 271 Y C -2.053 173.809 175.900 -0.064 0.000 1.051 271 Y CA -3.019 55.044 58.100 -0.062 0.000 1.377 271 Y CB -0.765 37.667 38.460 -0.046 0.000 1.168 271 Y HN 0.078 nan 8.280 nan 0.000 0.525 272 P HA -0.065 nan 4.420 nan 0.000 0.257 272 P C 0.335 177.646 177.300 0.019 0.000 1.153 272 P CA 1.103 64.212 63.100 0.015 0.000 0.762 272 P CB 0.337 32.044 31.700 0.012 0.000 0.743 273 G N 4.056 112.849 108.800 -0.011 0.000 2.912 273 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.246 273 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.246 273 G C -0.623 174.280 174.900 0.005 0.000 0.352 273 G CA -0.663 44.433 45.100 -0.006 0.000 1.051 273 G HN 0.479 nan 8.290 nan 0.000 0.501 274 I N 2.547 123.118 120.570 0.002 0.000 2.534 274 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 274 I C 0.276 176.392 176.117 -0.002 0.000 1.077 274 I CA -0.806 60.497 61.300 0.006 0.000 1.051 274 I CB 2.003 40.019 38.000 0.026 0.000 1.234 274 I HN 0.507 nan 8.210 nan 0.000 0.425 275 K N 4.284 124.674 120.400 -0.016 0.000 2.130 275 K HA 0.678 4.998 4.320 -0.000 0.000 0.268 275 K C 0.093 176.679 176.600 -0.023 0.000 0.983 275 K CA -0.541 55.731 56.287 -0.024 0.000 0.893 275 K CB 2.781 35.257 32.500 -0.041 0.000 1.066 275 K HN 0.353 nan 8.250 nan 0.000 0.450 276 V N 1.658 121.560 119.914 -0.020 0.000 3.443 276 V HA -0.031 4.089 4.120 -0.000 0.000 0.277 276 V C 1.350 177.429 176.094 -0.025 0.000 1.648 276 V CA -0.096 62.193 62.300 -0.019 0.000 1.058 276 V CB 0.580 32.407 31.823 0.006 0.000 0.877 276 V HN 0.675 nan 8.190 nan 0.000 0.417 277 R N 2.075 122.557 120.500 -0.030 0.000 2.139 277 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 277 R C 1.983 178.257 176.300 -0.042 0.000 1.145 277 R CA 2.343 58.421 56.100 -0.037 0.000 0.976 277 R CB -0.296 29.972 30.300 -0.053 0.000 0.866 277 R HN 0.711 nan 8.270 nan 0.000 0.449 278 Q N 1.121 120.891 119.800 -0.050 0.000 1.732 278 Q HA -0.175 4.164 4.340 -0.000 0.000 0.350 278 Q C 2.161 178.124 176.000 -0.061 0.000 0.976 278 Q CA 1.757 57.525 55.803 -0.058 0.000 0.895 278 Q CB -0.989 27.709 28.738 -0.066 0.000 0.934 278 Q HN 0.514 nan 8.270 nan 0.000 0.413 279 L N -0.210 120.967 121.223 -0.078 0.000 2.349 279 L HA -0.073 4.267 4.340 -0.000 0.000 0.220 279 L C 2.537 179.370 176.870 -0.063 0.000 1.130 279 L CA 1.712 56.495 54.840 -0.094 0.000 0.791 279 L CB -0.748 41.224 42.059 -0.145 0.000 0.918 279 L HN 0.240 nan 8.230 nan 0.000 0.444 280 S N 0.486 116.161 115.700 -0.041 0.000 2.382 280 S HA -0.160 4.309 4.470 -0.000 0.000 0.228 280 S C 2.023 176.615 174.600 -0.015 0.000 1.027 280 S CA 0.941 59.130 58.200 -0.019 0.000 0.991 280 S CB -0.261 62.935 63.200 -0.008 0.000 0.823 280 S HN 0.368 nan 8.310 nan 0.000 0.469 281 K N 1.250 121.637 120.400 -0.022 0.000 2.442 281 K HA 0.060 4.380 4.320 -0.000 0.000 0.198 281 K C 1.785 178.377 176.600 -0.013 0.000 1.044 281 K CA 0.549 56.825 56.287 -0.017 0.000 0.948 281 K CB -0.698 31.788 32.500 -0.023 0.000 0.762 281 K HN 0.490 nan 8.250 nan 0.000 0.472 282 L N 0.083 121.295 121.223 -0.018 0.000 2.017 282 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 282 L C 2.220 179.093 176.870 0.005 0.000 1.073 282 L CA 1.072 55.906 54.840 -0.011 0.000 0.745 282 L CB -0.611 41.436 42.059 -0.020 0.000 0.894 282 L HN 0.092 nan 8.230 nan 0.000 0.432 283 L N 0.248 121.477 121.223 0.010 0.000 2.081 283 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 283 L C 1.954 178.834 176.870 0.016 0.000 1.080 283 L CA 0.862 55.714 54.840 0.019 0.000 0.754 283 L CB -1.420 40.652 42.059 0.022 0.000 0.893 283 L HN 0.310 nan 8.230 nan 0.000 0.433 284 R N 1.637 122.143 120.500 0.010 0.000 2.619 284 R HA 0.386 4.726 4.340 -0.000 0.000 0.268 284 R C 0.871 177.177 176.300 0.010 0.000 0.990 284 R CA 0.501 56.607 56.100 0.009 0.000 1.092 284 R CB -1.503 28.800 30.300 0.004 0.000 0.935 284 R HN 0.596 nan 8.270 nan 0.000 0.415 285 G N 1.073 109.879 108.800 0.011 0.000 3.322 285 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.686 285 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.686 285 G C 0.307 175.215 174.900 0.014 0.000 1.015 285 G CA -0.154 44.953 45.100 0.011 0.000 0.826 285 G HN 1.539 nan 8.290 nan 0.000 0.538 286 T N 1.836 116.398 114.554 0.013 0.000 2.914 286 T HA 0.377 4.727 4.350 -0.000 0.000 0.215 286 T C 1.221 175.931 174.700 0.016 0.000 0.794 286 T CA 1.635 63.743 62.100 0.014 0.000 3.635 286 T CB -0.819 68.056 68.868 0.013 0.000 0.763 286 T HN 1.260 nan 8.240 nan 0.000 0.273 287 K N 0.809 121.220 120.400 0.018 0.000 2.205 287 K HA 0.780 5.100 4.320 -0.000 0.000 0.279 287 K C 0.265 176.878 176.600 0.020 0.000 1.027 287 K CA -0.452 55.847 56.287 0.020 0.000 0.932 287 K CB 0.786 33.301 32.500 0.024 0.000 1.032 287 K HN 0.607 nan 8.250 nan 0.000 0.466 288 A N 2.124 124.956 122.820 0.019 0.000 2.331 288 A HA 0.513 4.833 4.320 -0.000 0.000 0.283 288 A C 1.508 179.105 177.584 0.021 0.000 1.142 288 A CA -0.551 51.496 52.037 0.018 0.000 0.812 288 A CB -0.023 18.986 19.000 0.015 0.000 1.074 288 A HN 0.911 nan 8.150 nan 0.000 0.497 289 L N 1.626 122.861 121.223 0.020 0.000 2.058 289 L HA -0.328 4.012 4.340 -0.000 0.000 0.226 289 L C 2.489 179.373 176.870 0.022 0.000 1.089 289 L CA 2.429 57.282 54.840 0.022 0.000 0.799 289 L CB -1.063 41.007 42.059 0.018 0.000 0.900 289 L HN 0.867 nan 8.230 nan 0.000 0.442 290 T N -2.413 112.150 114.554 0.016 0.000 3.043 290 T HA -0.083 4.267 4.350 -0.000 0.000 0.263 290 T C 0.736 175.445 174.700 0.015 0.000 1.094 290 T CA 0.009 62.116 62.100 0.011 0.000 1.127 290 T CB -0.328 68.543 68.868 0.004 0.000 0.905 290 T HN 0.352 nan 8.240 nan 0.000 0.490 291 E N 2.443 122.655 120.200 0.020 0.000 2.585 291 E HA 0.101 4.451 4.350 -0.000 0.000 0.252 291 E C -0.372 176.249 176.600 0.035 0.000 0.981 291 E CA -0.368 56.046 56.400 0.023 0.000 0.943 291 E CB 0.327 30.041 29.700 0.023 0.000 0.923 291 E HN 0.075 nan 8.360 nan 0.000 0.486 292 V N 5.050 124.985 119.914 0.035 0.000 3.003 292 V HA 0.250 4.370 4.120 -0.000 0.000 0.305 292 V C 0.321 176.452 176.094 0.062 0.000 1.078 292 V CA -0.334 61.998 62.300 0.054 0.000 1.083 292 V CB 0.986 32.835 31.823 0.043 0.000 1.039 292 V HN 0.701 nan 8.190 nan 0.000 0.481 293 I N 3.792 124.416 120.570 0.090 0.000 2.607 293 I HA 0.546 4.716 4.170 -0.000 0.000 0.290 293 I C -2.530 173.637 176.117 0.083 0.000 1.129 293 I CA -2.327 59.017 61.300 0.073 0.000 1.042 293 I CB 2.513 40.550 38.000 0.062 0.000 1.242 293 I HN 0.508 nan 8.210 nan 0.000 0.421 294 P HA 0.025 nan 4.420 nan 0.000 0.264 294 P C -0.275 177.037 177.300 0.020 0.000 1.236 294 P CA -0.316 62.811 63.100 0.045 0.000 0.811 294 P CB 0.392 32.108 31.700 0.027 0.000 0.840 295 L N 5.090 126.324 121.223 0.018 0.000 2.583 295 L HA 0.046 4.386 4.340 -0.000 0.000 0.280 295 L C 0.207 177.033 176.870 -0.073 0.000 1.261 295 L CA 0.570 55.368 54.840 -0.071 0.000 1.164 295 L CB -1.567 40.393 42.059 -0.165 0.000 1.402 295 L HN 0.309 nan 8.230 nan 0.000 0.443 296 T N 2.496 117.014 114.554 -0.059 0.000 2.897 296 T HA -0.172 4.178 4.350 -0.000 0.000 0.304 296 T C 1.313 175.973 174.700 -0.067 0.000 1.051 296 T CA 0.636 62.705 62.100 -0.052 0.000 1.132 296 T CB 0.325 69.164 68.868 -0.049 0.000 1.066 296 T HN 0.698 nan 8.240 nan 0.000 0.518 297 E N 1.345 121.514 120.200 -0.051 0.000 2.274 297 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 297 E C 1.826 178.390 176.600 -0.060 0.000 0.996 297 E CA 0.543 56.910 56.400 -0.054 0.000 0.840 297 E CB 0.181 29.858 29.700 -0.038 0.000 0.772 297 E HN 0.594 nan 8.360 nan 0.000 0.491 298 E N 0.196 120.362 120.200 -0.056 0.000 2.085 298 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 298 E C 1.969 178.526 176.600 -0.072 0.000 0.994 298 E CA 1.106 57.472 56.400 -0.057 0.000 0.801 298 E CB -0.132 29.538 29.700 -0.051 0.000 0.743 298 E HN 0.289 nan 8.360 nan 0.000 0.453 299 A N 1.636 124.404 122.820 -0.086 0.000 1.929 299 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 299 A C 2.030 179.531 177.584 -0.138 0.000 1.176 299 A CA 0.892 52.860 52.037 -0.115 0.000 0.628 299 A CB -0.178 18.740 19.000 -0.137 0.000 0.816 299 A HN 0.041 nan 8.150 nan 0.000 0.444 300 E N -0.193 119.931 120.200 -0.126 0.000 2.118 300 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 300 E C 2.431 178.974 176.600 -0.095 0.000 0.992 300 E CA 1.477 57.804 56.400 -0.122 0.000 0.804 300 E CB -0.830 28.818 29.700 -0.087 0.000 0.741 300 E HN 0.577 nan 8.360 nan 0.000 0.458 301 L N 1.344 122.520 121.223 -0.078 0.000 2.017 301 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 301 L C 2.672 179.500 176.870 -0.070 0.000 1.073 301 L CA 3.210 58.011 54.840 -0.065 0.000 0.745 301 L CB -2.167 39.858 42.059 -0.057 0.000 0.894 301 L HN 0.341 nan 8.230 nan 0.000 0.432 302 E N -0.111 120.041 120.200 -0.080 0.000 2.012 302 E HA -0.295 4.055 4.350 -0.000 0.000 0.211 302 E C 2.256 178.805 176.600 -0.084 0.000 1.029 302 E CA 1.862 58.215 56.400 -0.079 0.000 0.867 302 E CB -1.268 28.381 29.700 -0.086 0.000 0.790 302 E HN 0.892 nan 8.360 nan 0.000 0.482 303 L N 0.902 122.057 121.223 -0.113 0.000 2.058 303 L HA -0.251 4.089 4.340 -0.000 0.000 0.226 303 L C 2.763 179.585 176.870 -0.081 0.000 1.089 303 L CA 3.394 58.164 54.840 -0.116 0.000 0.799 303 L CB -1.160 40.794 42.059 -0.177 0.000 0.900 303 L HN 0.528 nan 8.230 nan 0.000 0.442 304 A N -0.875 121.901 122.820 -0.075 0.000 1.849 304 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 304 A C 2.068 179.620 177.584 -0.054 0.000 1.202 304 A CA 2.184 54.188 52.037 -0.056 0.000 0.629 304 A CB -0.906 18.064 19.000 -0.050 0.000 0.834 304 A HN 0.686 nan 8.150 nan 0.000 0.447 305 E N -0.093 120.074 120.200 -0.054 0.000 2.049 305 E HA -0.247 4.103 4.350 -0.000 0.000 0.198 305 E C 1.966 178.532 176.600 -0.056 0.000 1.007 305 E CA 1.460 57.830 56.400 -0.050 0.000 0.809 305 E CB -0.458 29.214 29.700 -0.048 0.000 0.749 305 E HN 0.757 nan 8.360 nan 0.000 0.450 306 N N 0.716 119.381 118.700 -0.059 0.000 2.002 306 N HA -0.214 4.526 4.740 -0.000 0.000 0.199 306 N C 1.893 177.351 175.510 -0.087 0.000 1.060 306 N CA 1.472 54.483 53.050 -0.065 0.000 0.867 306 N CB -0.189 38.264 38.487 -0.056 0.000 1.069 306 N HN 0.084 nan 8.380 nan 0.000 0.430 307 R N 0.961 121.416 120.500 -0.075 0.000 2.140 307 R HA -0.187 4.153 4.340 -0.000 0.000 0.250 307 R C 1.967 178.211 176.300 -0.094 0.000 1.150 307 R CA 1.156 57.210 56.100 -0.078 0.000 0.966 307 R CB -0.450 29.822 30.300 -0.047 0.000 0.869 307 R HN 0.374 nan 8.270 nan 0.000 0.445 308 E N 0.933 121.087 120.200 -0.076 0.000 2.049 308 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 308 E C 2.090 178.632 176.600 -0.097 0.000 1.007 308 E CA 1.465 57.822 56.400 -0.072 0.000 0.809 308 E CB -0.261 29.406 29.700 -0.055 0.000 0.749 308 E HN 0.395 nan 8.360 nan 0.000 0.450 309 I N 0.832 121.335 120.570 -0.112 0.000 2.099 309 I HA -0.303 3.867 4.170 -0.000 0.000 0.239 309 I C 2.556 178.494 176.117 -0.299 0.000 1.066 309 I CA 1.039 62.255 61.300 -0.140 0.000 1.324 309 I CB -0.616 37.322 38.000 -0.104 0.000 1.037 309 I HN 0.044 nan 8.210 nan 0.000 0.401 310 L N 1.073 122.036 121.223 -0.432 0.000 2.270 310 L HA -0.294 4.046 4.340 -0.000 0.000 0.217 310 L C 3.111 179.745 176.870 -0.392 0.000 1.107 310 L CA 1.781 56.210 54.840 -0.686 0.000 0.772 310 L CB -1.248 40.562 42.059 -0.415 0.000 0.902 310 L HN 0.374 nan 8.230 nan 0.000 0.439 311 K N 0.846 121.119 120.400 -0.211 0.000 2.001 311 K HA -0.021 4.299 4.320 -0.000 0.000 0.208 311 K C 1.277 177.833 176.600 -0.074 0.000 1.048 311 K CA 1.358 57.580 56.287 -0.108 0.000 0.932 311 K CB -1.365 31.091 32.500 -0.073 0.000 0.715 311 K HN 0.464 nan 8.250 nan 0.000 0.437 312 E N 3.008 123.167 120.200 -0.070 0.000 2.415 312 E HA 0.271 4.621 4.350 -0.000 0.000 0.260 312 E C -2.251 174.393 176.600 0.073 0.000 1.016 312 E CA -1.503 54.893 56.400 -0.007 0.000 0.924 312 E CB -0.564 29.135 29.700 -0.003 0.000 0.961 312 E HN 0.581 nan 8.360 nan 0.000 0.459 313 P HA 0.385 nan 4.420 nan 0.000 0.280 313 P C -0.177 177.210 177.300 0.146 0.000 1.244 313 P CA -0.121 63.067 63.100 0.146 0.000 0.784 313 P CB 1.236 32.976 31.700 0.068 0.000 0.913 314 V N 0.826 120.842 119.914 0.169 0.000 3.105 314 V HA 0.786 4.906 4.120 -0.000 0.000 0.311 314 V C -0.559 175.539 176.094 0.006 0.000 1.282 314 V CA -0.651 61.691 62.300 0.069 0.000 1.065 314 V CB 2.009 33.805 31.823 -0.045 0.000 1.136 314 V HN 0.933 nan 8.190 nan 0.000 0.469 315 H N -1.015 117.855 119.070 -0.334 0.000 2.883 315 H HA 0.810 5.366 4.556 -0.000 0.000 0.277 315 H C -0.535 174.381 175.328 -0.686 0.000 1.451 315 H CA -0.263 55.477 56.048 -0.514 0.000 1.157 315 H CB 1.146 30.679 29.762 -0.382 0.000 1.851 315 H HN 1.352 nan 8.280 nan 0.000 0.566 316 G N -0.512 107.593 108.800 -1.159 0.000 2.733 316 G HA2 0.539 4.499 3.960 -0.000 0.000 0.288 316 G HA3 0.539 4.499 3.960 -0.000 0.000 0.288 316 G C -1.435 173.007 174.900 -0.763 0.000 1.373 316 G CA -0.132 44.323 45.100 -1.076 0.000 0.895 316 G HN 0.582 nan 8.290 nan 0.000 0.479 317 V N -1.037 118.759 119.914 -0.198 0.000 3.158 317 V HA 0.757 4.877 4.120 -0.000 0.000 0.315 317 V C -0.975 175.266 176.094 0.244 0.000 1.148 317 V CA -1.157 61.090 62.300 -0.088 0.000 1.042 317 V CB 1.798 33.596 31.823 -0.042 0.000 1.101 317 V HN 0.687 nan 8.190 nan 0.000 0.448 318 Y N 0.982 121.494 120.300 0.353 0.000 2.334 318 Y HA 0.372 4.922 4.550 -0.000 0.000 0.325 318 Y C -0.483 175.601 175.900 0.306 0.000 1.308 318 Y CA -0.379 57.913 58.100 0.321 0.000 1.389 318 Y CB 0.848 39.443 38.460 0.225 0.000 1.328 318 Y HN 0.683 nan 8.280 nan 0.000 0.532 319 Y N 2.069 122.599 120.300 0.383 0.000 2.336 319 Y HA 0.199 4.749 4.550 -0.000 0.000 0.335 319 Y C -0.770 175.229 175.900 0.165 0.000 1.046 319 Y CA -1.335 56.916 58.100 0.251 0.000 1.198 319 Y CB 0.755 39.440 38.460 0.375 0.000 1.182 319 Y HN 0.511 nan 8.280 nan 0.000 0.502 320 D N 8.460 128.608 120.400 -0.419 0.000 2.427 320 D HA 0.352 4.992 4.640 -0.000 0.000 0.226 320 D C -2.199 173.583 176.300 -0.864 0.000 1.076 320 D CA -2.675 51.043 54.000 -0.470 0.000 0.849 320 D CB 1.967 42.649 40.800 -0.197 0.000 1.052 320 D HN 0.322 nan 8.370 nan 0.000 0.515 321 P HA -0.236 nan 4.420 nan 0.000 0.216 321 P C 1.334 178.478 177.300 -0.260 0.000 1.157 321 P CA 1.771 64.506 63.100 -0.607 0.000 0.880 321 P CB 0.133 31.700 31.700 -0.222 0.000 0.791 322 S N -0.649 114.934 115.700 -0.195 0.000 2.356 322 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 322 S C 0.918 175.451 174.600 -0.111 0.000 1.032 322 S CA 0.969 59.102 58.200 -0.112 0.000 1.005 322 S CB -1.095 62.054 63.200 -0.086 0.000 0.867 322 S HN 0.144 nan 8.310 nan 0.000 0.449 323 K N 3.672 123.986 120.400 -0.144 0.000 2.228 323 K HA 0.164 4.484 4.320 -0.000 0.000 0.284 323 K C -0.581 175.939 176.600 -0.133 0.000 1.088 323 K CA -0.070 56.142 56.287 -0.126 0.000 0.941 323 K CB -0.082 32.347 32.500 -0.120 0.000 1.158 323 K HN 0.566 nan 8.250 nan 0.000 0.438 324 D N 1.388 121.720 120.400 -0.114 0.000 2.405 324 D HA -0.146 4.494 4.640 -0.000 0.000 0.232 324 D C -0.126 176.049 176.300 -0.207 0.000 1.240 324 D CA -0.305 53.621 54.000 -0.123 0.000 0.881 324 D CB 0.446 41.174 40.800 -0.119 0.000 1.222 324 D HN 0.031 nan 8.370 nan 0.000 0.482 325 L N 0.308 121.373 121.223 -0.265 0.000 2.380 325 L HA 0.355 4.695 4.340 -0.000 0.000 0.273 325 L C -0.136 176.439 176.870 -0.490 0.000 1.138 325 L CA 0.023 54.602 54.840 -0.434 0.000 0.832 325 L CB 0.473 42.211 42.059 -0.535 0.000 1.124 325 L HN 0.420 nan 8.230 nan 0.000 0.454 326 I N 3.252 123.449 120.570 -0.622 0.000 2.466 326 I HA 0.634 4.804 4.170 -0.000 0.000 0.289 326 I C -0.313 175.431 176.117 -0.623 0.000 1.026 326 I CA -0.652 60.216 61.300 -0.720 0.000 1.078 326 I CB 1.828 39.159 38.000 -1.115 0.000 1.249 326 I HN 0.625 nan 8.210 nan 0.000 0.429 327 A N 5.205 127.727 122.820 -0.495 0.000 2.319 327 A HA 0.645 4.965 4.320 -0.000 0.000 0.310 327 A C -0.772 176.823 177.584 0.018 0.000 1.152 327 A CA -0.475 51.411 52.037 -0.251 0.000 0.783 327 A CB 1.234 19.925 19.000 -0.515 0.000 1.184 327 A HN 0.771 nan 8.150 nan 0.000 0.474 328 E N 2.935 123.276 120.200 0.235 0.000 2.187 328 E HA 0.525 4.875 4.350 -0.000 0.000 0.268 328 E C -0.897 175.879 176.600 0.292 0.000 0.896 328 E CA -0.610 55.949 56.400 0.266 0.000 0.766 328 E CB 0.957 30.819 29.700 0.269 0.000 1.142 328 E HN 0.599 nan 8.360 nan 0.000 0.408 329 I N 3.316 124.045 120.570 0.265 0.000 2.428 329 I HA 0.278 4.448 4.170 -0.000 0.000 0.296 329 I C -0.126 176.158 176.117 0.280 0.000 0.985 329 I CA -0.835 60.638 61.300 0.288 0.000 1.260 329 I CB 1.287 39.397 38.000 0.184 0.000 1.389 329 I HN 0.496 nan 8.210 nan 0.000 0.484 330 Q N 4.155 124.147 119.800 0.320 0.000 2.365 330 Q HA 0.416 4.756 4.340 -0.000 0.000 0.269 330 Q C -0.501 175.664 176.000 0.276 0.000 1.061 330 Q CA -0.926 55.021 55.803 0.239 0.000 0.816 330 Q CB 2.720 31.549 28.738 0.151 0.000 1.325 330 Q HN 0.354 nan 8.270 nan 0.000 0.446 331 K N 2.300 122.776 120.400 0.128 0.000 2.201 331 K HA 0.258 4.578 4.320 -0.000 0.000 0.278 331 K C -0.408 176.064 176.600 -0.213 0.000 1.027 331 K CA -0.051 56.118 56.287 -0.197 0.000 0.909 331 K CB 0.870 33.254 32.500 -0.194 0.000 1.062 331 K HN 0.536 nan 8.250 nan 0.000 0.465 332 Q N 0.923 120.508 119.800 -0.359 0.000 3.018 332 Q HA 0.399 4.739 4.340 -0.000 0.000 0.209 332 Q C 0.045 175.892 176.000 -0.255 0.000 1.036 332 Q CA -0.845 54.825 55.803 -0.222 0.000 0.886 332 Q CB 0.047 28.688 28.738 -0.162 0.000 2.058 332 Q HN 0.806 nan 8.270 nan 0.000 0.452 333 G N 1.467 110.159 108.800 -0.180 0.000 2.353 333 G HA2 0.010 3.970 3.960 -0.000 0.000 0.239 333 G HA3 0.010 3.970 3.960 -0.000 0.000 0.239 333 G C -0.134 174.639 174.900 -0.212 0.000 1.295 333 G CA -0.202 44.803 45.100 -0.159 0.000 0.884 333 G HN 0.246 nan 8.290 nan 0.000 0.537 334 Q N 0.837 120.526 119.800 -0.185 0.000 2.955 334 Q HA 0.035 4.375 4.340 -0.000 0.000 0.361 334 Q C 1.364 177.259 176.000 -0.174 0.000 1.060 334 Q CA 1.569 57.260 55.803 -0.186 0.000 1.177 334 Q CB 0.035 28.701 28.738 -0.121 0.000 0.991 334 Q HN 1.337 nan 8.270 nan 0.000 0.414 335 G N 2.483 111.155 108.800 -0.213 0.000 2.475 335 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.209 335 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.209 335 G C 0.055 174.843 174.900 -0.187 0.000 1.127 335 G CA -0.036 44.986 45.100 -0.130 0.000 0.681 335 G HN 0.541 nan 8.290 nan 0.000 0.517 336 Q N -0.668 118.971 119.800 -0.269 0.000 2.382 336 Q HA 0.543 4.883 4.340 -0.000 0.000 0.229 336 Q C -0.866 174.897 176.000 -0.395 0.000 1.006 336 Q CA 0.096 55.777 55.803 -0.203 0.000 0.916 336 Q CB 0.769 29.423 28.738 -0.141 0.000 1.235 336 Q HN 0.499 nan 8.270 nan 0.000 0.512 337 W N -0.339 120.969 121.300 0.015 0.000 3.615 337 W HA 0.290 4.950 4.660 -0.000 0.000 0.319 337 W C -0.974 175.626 176.519 0.135 0.000 1.172 337 W CA -0.462 56.940 57.345 0.094 0.000 1.240 337 W CB 1.648 31.209 29.460 0.169 0.000 1.313 337 W HN 0.369 nan 8.180 nan 0.000 0.487 338 T N 2.325 117.081 114.554 0.336 0.000 2.950 338 T HA 0.748 5.098 4.350 -0.000 0.000 0.288 338 T C -1.355 173.524 174.700 0.299 0.000 1.035 338 T CA -0.465 61.749 62.100 0.189 0.000 1.028 338 T CB 1.511 70.424 68.868 0.075 0.000 1.109 338 T HN 0.312 nan 8.240 nan 0.000 0.514 339 Y N -0.853 119.548 120.300 0.169 0.000 2.624 339 Y HA 0.751 5.301 4.550 -0.000 0.000 0.334 339 Y C -1.797 174.183 175.900 0.134 0.000 1.155 339 Y CA -1.487 56.710 58.100 0.161 0.000 1.046 339 Y CB 1.051 39.618 38.460 0.179 0.000 1.316 339 Y HN 0.387 nan 8.280 nan 0.000 0.457 340 Q N 2.174 122.193 119.800 0.367 0.000 2.331 340 Q HA 0.684 5.024 4.340 -0.000 0.000 0.272 340 Q C -1.522 174.705 176.000 0.378 0.000 1.062 340 Q CA -0.592 55.371 55.803 0.268 0.000 0.806 340 Q CB 3.159 31.964 28.738 0.111 0.000 1.312 340 Q HN 0.742 nan 8.270 nan 0.000 0.431 341 I N 3.713 124.480 120.570 0.327 0.000 2.355 341 I HA 0.526 4.696 4.170 -0.000 0.000 0.288 341 I C -1.016 175.209 176.117 0.180 0.000 0.999 341 I CA -0.989 60.417 61.300 0.177 0.000 1.163 341 I CB 0.359 38.431 38.000 0.120 0.000 1.316 341 I HN 0.619 nan 8.210 nan 0.000 0.454 342 Y N 3.437 123.661 120.300 -0.127 0.000 2.677 342 Y HA 0.574 5.124 4.550 -0.000 0.000 0.334 342 Y C -0.050 175.755 175.900 -0.159 0.000 1.154 342 Y CA -1.152 56.877 58.100 -0.118 0.000 1.070 342 Y CB 0.977 39.378 38.460 -0.099 0.000 1.294 342 Y HN 0.464 nan 8.280 nan 0.000 0.475 343 Q N -0.470 119.270 119.800 -0.100 0.000 2.384 343 Q HA 0.203 4.543 4.340 -0.000 0.000 0.264 343 Q C -0.722 175.228 176.000 -0.084 0.000 0.825 343 Q CA 0.077 55.767 55.803 -0.188 0.000 0.984 343 Q CB 1.554 30.220 28.738 -0.119 0.000 1.183 343 Q HN 0.695 nan 8.270 nan 0.000 0.537 344 E N 1.052 121.284 120.200 0.053 0.000 2.235 344 E HA 0.202 4.552 4.350 -0.000 0.000 0.252 344 E C -2.223 174.459 176.600 0.136 0.000 0.886 344 E CA -2.183 54.254 56.400 0.061 0.000 0.767 344 E CB 1.357 31.073 29.700 0.028 0.000 1.205 344 E HN -0.217 nan 8.360 nan 0.000 0.421 345 P HA -0.293 nan 4.420 nan 0.000 0.228 345 P C 0.287 177.235 177.300 -0.587 0.000 0.810 345 P CA 1.865 64.867 63.100 -0.164 0.000 1.088 345 P CB -0.112 31.445 31.700 -0.238 0.000 0.687 346 F N -2.636 117.239 119.950 -0.124 0.000 2.639 346 F HA 0.158 4.685 4.527 -0.000 0.000 0.302 346 F C 0.981 176.686 175.800 -0.160 0.000 1.097 346 F CA 0.205 58.093 58.000 -0.187 0.000 1.294 346 F CB 0.069 38.992 39.000 -0.129 0.000 1.027 346 F HN -0.320 nan 8.300 nan 0.000 0.550 347 K N 1.682 122.091 120.400 0.016 0.000 2.291 347 K HA 0.182 4.502 4.320 -0.000 0.000 0.242 347 K C -0.263 176.330 176.600 -0.011 0.000 1.098 347 K CA -0.262 56.014 56.287 -0.019 0.000 1.036 347 K CB -0.134 32.376 32.500 0.016 0.000 1.655 347 K HN 0.019 nan 8.250 nan 0.000 0.432 348 N N 1.565 120.221 118.700 -0.073 0.000 2.381 348 N HA 0.041 4.781 4.740 -0.000 0.000 0.241 348 N C 1.280 176.812 175.510 0.035 0.000 1.279 348 N CA 0.138 53.187 53.050 -0.003 0.000 0.896 348 N CB 0.863 39.312 38.487 -0.064 0.000 1.118 348 N HN 0.326 nan 8.380 nan 0.000 0.438 349 L N 0.130 121.451 121.223 0.164 0.000 2.433 349 L HA 0.261 4.601 4.340 -0.000 0.000 0.200 349 L C 0.812 177.932 176.870 0.417 0.000 1.059 349 L CA 0.498 55.526 54.840 0.314 0.000 0.835 349 L CB 0.176 42.442 42.059 0.346 0.000 1.076 349 L HN 0.471 nan 8.230 nan 0.000 0.481 350 K N -0.320 120.275 120.400 0.324 0.000 2.568 350 K HA 0.355 4.675 4.320 -0.000 0.000 0.273 350 K C -1.437 175.276 176.600 0.189 0.000 0.951 350 K CA -0.448 56.015 56.287 0.293 0.000 0.854 350 K CB 2.226 34.888 32.500 0.271 0.000 1.424 350 K HN -0.025 nan 8.250 nan 0.000 0.427 351 T N -0.628 113.973 114.554 0.079 0.000 2.886 351 T HA 0.813 5.163 4.350 -0.000 0.000 0.292 351 T C -0.098 174.458 174.700 -0.240 0.000 1.012 351 T CA -0.555 61.506 62.100 -0.065 0.000 0.982 351 T CB 1.794 70.614 68.868 -0.080 0.000 1.018 351 T HN 0.665 nan 8.240 nan 0.000 0.451 352 G N 1.262 109.563 108.800 -0.831 0.000 2.975 352 G HA2 0.818 4.778 3.960 -0.000 0.000 0.291 352 G HA3 0.818 4.778 3.960 -0.000 0.000 0.291 352 G C -1.766 172.580 174.900 -0.923 0.000 1.334 352 G CA -1.250 43.373 45.100 -0.795 0.000 0.843 352 G HN 1.019 nan 8.290 nan 0.000 0.548 353 K N -1.665 118.584 120.400 -0.251 0.000 2.557 353 K HA 0.567 4.887 4.320 -0.000 0.000 0.257 353 K C -2.181 174.649 176.600 0.383 0.000 0.933 353 K CA -0.913 55.427 56.287 0.089 0.000 0.820 353 K CB 1.628 34.153 32.500 0.041 0.000 1.330 353 K HN 0.600 nan 8.250 nan 0.000 0.432 354 Y N 1.970 122.469 120.300 0.331 0.000 2.328 354 Y HA 0.675 5.224 4.550 -0.000 0.000 0.337 354 Y C -0.325 175.755 175.900 0.301 0.000 0.966 354 Y CA -0.821 57.442 58.100 0.272 0.000 1.136 354 Y CB 1.752 40.331 38.460 0.198 0.000 1.170 354 Y HN 0.900 nan 8.280 nan 0.000 0.470 355 A N 5.965 128.653 122.820 -0.220 0.000 2.600 355 A HA 0.275 4.595 4.320 -0.000 0.000 0.252 355 A C 0.679 178.097 177.584 -0.278 0.000 1.200 355 A CA -0.473 51.429 52.037 -0.224 0.000 0.981 355 A CB 0.054 19.027 19.000 -0.044 0.000 1.207 355 A HN 0.673 nan 8.150 nan 0.000 0.577 356 R N 0.241 120.528 120.500 -0.355 0.000 2.679 356 R HA 0.418 4.758 4.340 -0.000 0.000 0.269 356 R C -0.313 175.916 176.300 -0.118 0.000 1.076 356 R CA -0.041 55.996 56.100 -0.105 0.000 1.160 356 R CB 0.335 30.706 30.300 0.119 0.000 1.054 356 R HN 0.345 nan 8.270 nan 0.000 0.507 357 M N 4.319 123.919 119.600 -0.000 0.000 1.999 357 M HA 0.279 4.759 4.480 -0.000 0.000 0.299 357 M C -1.017 175.325 176.300 0.070 0.000 0.900 357 M CA -0.716 54.606 55.300 0.037 0.000 0.904 357 M CB 0.962 33.578 32.600 0.026 0.000 1.477 357 M HN 0.491 nan 8.290 nan 0.000 0.403 358 R N 2.736 123.301 120.500 0.108 0.000 2.351 358 R HA 0.494 4.834 4.340 -0.000 0.000 0.318 358 R C 0.224 176.574 176.300 0.082 0.000 1.055 358 R CA 0.838 56.998 56.100 0.099 0.000 0.968 358 R CB 0.114 30.486 30.300 0.120 0.000 0.974 358 R HN 0.981 nan 8.270 nan 0.000 0.439 359 G N 1.468 110.301 108.800 0.054 0.000 2.692 359 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 359 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 359 G C 0.521 175.408 174.900 -0.021 0.000 1.243 359 G CA -0.309 44.807 45.100 0.026 0.000 0.782 359 G HN 0.586 nan 8.290 nan 0.000 0.625 360 A N 1.272 124.011 122.820 -0.136 0.000 1.841 360 A HA 0.215 4.535 4.320 -0.000 0.000 0.214 360 A C 1.099 178.597 177.584 -0.142 0.000 1.195 360 A CA 1.978 53.874 52.037 -0.236 0.000 0.611 360 A CB -0.416 18.273 19.000 -0.518 0.000 0.835 360 A HN 1.144 nan 8.150 nan 0.000 0.443 361 H N -0.929 118.204 119.070 0.105 0.000 2.488 361 H HA 0.596 5.152 4.556 -0.000 0.000 0.322 361 H C -0.069 175.325 175.328 0.110 0.000 1.078 361 H CA 0.377 56.486 56.048 0.102 0.000 1.260 361 H CB 1.132 30.965 29.762 0.119 0.000 1.425 361 H HN 0.313 nan 8.280 nan 0.000 0.471 362 T N 1.724 116.393 114.554 0.192 0.000 2.598 362 T HA 0.442 4.792 4.350 -0.000 0.000 0.289 362 T C -1.348 173.402 174.700 0.084 0.000 1.056 362 T CA -0.838 61.340 62.100 0.131 0.000 1.088 362 T CB 1.562 70.494 68.868 0.107 0.000 1.519 362 T HN 0.911 nan 8.240 nan 0.000 0.488 363 N N -0.281 118.435 118.700 0.025 0.000 2.710 363 N HA 0.280 5.020 4.740 -0.000 0.000 0.257 363 N C -0.658 174.838 175.510 -0.024 0.000 1.140 363 N CA -0.405 52.637 53.050 -0.012 0.000 0.953 363 N CB 0.447 38.870 38.487 -0.107 0.000 1.664 363 N HN 0.406 nan 8.380 nan 0.000 0.497 364 D N 0.404 120.853 120.400 0.082 0.000 2.292 364 D HA -0.139 4.501 4.640 -0.000 0.000 0.205 364 D C 1.462 177.787 176.300 0.042 0.000 0.994 364 D CA 1.322 55.447 54.000 0.208 0.000 0.897 364 D CB 0.133 41.090 40.800 0.261 0.000 0.907 364 D HN 0.418 nan 8.370 nan 0.000 0.467 365 V N 0.405 120.166 119.914 -0.255 0.000 2.283 365 V HA -0.224 3.896 4.120 -0.000 0.000 0.243 365 V C 2.213 178.083 176.094 -0.373 0.000 1.039 365 V CA 1.465 63.501 62.300 -0.441 0.000 1.016 365 V CB -0.306 30.882 31.823 -1.058 0.000 0.650 365 V HN 0.184 nan 8.190 nan 0.000 0.449 366 K N 0.090 120.256 120.400 -0.391 0.000 1.988 366 K HA -0.272 4.048 4.320 -0.000 0.000 0.221 366 K C 2.236 178.768 176.600 -0.114 0.000 1.053 366 K CA 2.104 58.296 56.287 -0.159 0.000 0.959 366 K CB -0.468 31.984 32.500 -0.080 0.000 0.728 366 K HN 0.515 nan 8.250 nan 0.000 0.447 367 Q N 0.622 120.400 119.800 -0.035 0.000 2.173 367 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 367 Q C 2.287 177.964 176.000 -0.538 0.000 0.989 367 Q CA 1.417 57.203 55.803 -0.030 0.000 0.872 367 Q CB -0.442 28.519 28.738 0.372 0.000 0.909 367 Q HN 0.251 nan 8.270 nan 0.000 0.420 368 L N 0.897 121.716 121.223 -0.672 0.000 2.046 368 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 368 L C 2.183 178.647 176.870 -0.676 0.000 1.077 368 L CA 1.963 56.224 54.840 -0.965 0.000 0.747 368 L CB -0.780 40.897 42.059 -0.637 0.000 0.896 368 L HN 0.112 nan 8.230 nan 0.000 0.432 369 T N -0.431 113.853 114.554 -0.451 0.000 2.622 369 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 369 T C 1.651 176.125 174.700 -0.376 0.000 1.047 369 T CA 1.848 63.726 62.100 -0.369 0.000 1.159 369 T CB -0.352 68.465 68.868 -0.085 0.000 0.863 369 T HN 0.461 nan 8.240 nan 0.000 0.422 370 E N 1.097 121.129 120.200 -0.280 0.000 2.187 370 E HA -0.172 4.178 4.350 -0.000 0.000 0.199 370 E C 2.447 178.635 176.600 -0.687 0.000 1.004 370 E CA 1.055 57.262 56.400 -0.322 0.000 0.813 370 E CB -0.250 29.422 29.700 -0.047 0.000 0.736 370 E HN 0.520 nan 8.360 nan 0.000 0.468 371 A N 0.832 123.255 122.820 -0.662 0.000 1.854 371 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 371 A C 2.520 179.760 177.584 -0.573 0.000 1.192 371 A CA 1.082 52.721 52.037 -0.662 0.000 0.611 371 A CB -0.576 18.108 19.000 -0.528 0.000 0.832 371 A HN 0.122 nan 8.150 nan 0.000 0.442 372 V N -0.129 119.400 119.914 -0.641 0.000 2.469 372 V HA -0.321 3.799 4.120 -0.000 0.000 0.251 372 V C 2.616 178.408 176.094 -0.505 0.000 1.064 372 V CA 2.291 64.110 62.300 -0.803 0.000 1.066 372 V CB -0.991 30.150 31.823 -1.136 0.000 0.667 372 V HN 0.629 nan 8.190 nan 0.000 0.461 373 Q N 0.024 119.578 119.800 -0.410 0.000 2.046 373 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 373 Q C 2.411 178.283 176.000 -0.212 0.000 0.975 373 Q CA 1.991 57.644 55.803 -0.251 0.000 0.836 373 Q CB -0.223 28.386 28.738 -0.215 0.000 0.896 373 Q HN 0.653 nan 8.270 nan 0.000 0.428 374 K N 0.400 120.611 120.400 -0.315 0.000 2.002 374 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 374 K C 1.882 178.377 176.600 -0.176 0.000 1.048 374 K CA 1.473 57.608 56.287 -0.252 0.000 0.930 374 K CB -0.141 32.142 32.500 -0.362 0.000 0.714 374 K HN 0.159 nan 8.250 nan 0.000 0.438 375 I N 1.496 121.926 120.570 -0.234 0.000 2.194 375 I HA -0.258 3.912 4.170 -0.000 0.000 0.246 375 I C 2.274 178.393 176.117 0.004 0.000 1.093 375 I CA 1.554 62.742 61.300 -0.186 0.000 1.355 375 I CB -1.644 36.286 38.000 -0.117 0.000 1.046 375 I HN 0.319 nan 8.210 nan 0.000 0.413 376 T N 0.942 115.546 114.554 0.084 0.000 2.595 376 T HA -0.192 4.158 4.350 -0.000 0.000 0.264 376 T C 1.980 176.707 174.700 0.046 0.000 1.058 376 T CA 2.572 64.735 62.100 0.105 0.000 1.166 376 T CB -0.393 68.536 68.868 0.101 0.000 0.863 376 T HN 0.361 nan 8.240 nan 0.000 0.415 377 T N 1.362 115.921 114.554 0.008 0.000 2.665 377 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 377 T C 1.915 176.612 174.700 -0.005 0.000 1.035 377 T CA 1.771 63.871 62.100 0.001 0.000 1.151 377 T CB -0.389 68.470 68.868 -0.016 0.000 0.862 377 T HN 0.581 nan 8.240 nan 0.000 0.438 378 E N 0.333 120.525 120.200 -0.014 0.000 2.209 378 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 378 E C 2.070 178.642 176.600 -0.047 0.000 0.993 378 E CA 1.230 57.610 56.400 -0.033 0.000 0.819 378 E CB -0.005 29.688 29.700 -0.013 0.000 0.745 378 E HN 0.399 nan 8.360 nan 0.000 0.477 379 S N 0.282 116.029 115.700 0.078 0.000 2.371 379 S HA 0.008 4.478 4.470 -0.000 0.000 0.221 379 S C 1.911 176.604 174.600 0.156 0.000 1.036 379 S CA 0.550 58.923 58.200 0.289 0.000 0.965 379 S CB -0.112 63.277 63.200 0.316 0.000 0.845 379 S HN 0.272 nan 8.310 nan 0.000 0.475 380 I N 1.501 122.118 120.570 0.077 0.000 2.315 380 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 380 I C 2.032 178.142 176.117 -0.012 0.000 1.125 380 I CA 0.904 62.230 61.300 0.044 0.000 1.392 380 I CB -0.275 37.745 38.000 0.032 0.000 1.065 380 I HN 0.146 nan 8.210 nan 0.000 0.424 381 V N 0.585 120.464 119.914 -0.058 0.000 2.591 381 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 381 V C 2.026 177.997 176.094 -0.204 0.000 1.053 381 V CA 1.610 63.849 62.300 -0.101 0.000 1.068 381 V CB -0.044 31.726 31.823 -0.088 0.000 0.689 381 V HN 0.339 nan 8.190 nan 0.000 0.462 382 I N -2.140 118.187 120.570 -0.405 0.000 3.081 382 I HA -0.023 4.147 4.170 -0.000 0.000 0.274 382 I C 1.773 177.426 176.117 -0.773 0.000 1.178 382 I CA 0.814 61.665 61.300 -0.749 0.000 1.460 382 I CB 0.057 37.163 38.000 -1.490 0.000 1.137 382 I HN 0.369 nan 8.210 nan 0.000 0.443 383 W N 0.347 121.524 121.300 -0.206 0.000 2.725 383 W HA 0.379 5.038 4.660 -0.000 0.000 0.336 383 W C 1.418 177.834 176.519 -0.171 0.000 1.012 383 W CA 0.456 57.606 57.345 -0.325 0.000 1.566 383 W CB -0.131 29.002 29.460 -0.545 0.000 1.068 383 W HN 0.247 nan 8.180 nan 0.000 0.546 384 G N 2.377 111.214 108.800 0.063 0.000 2.203 384 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 384 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 384 G C 0.196 175.141 174.900 0.076 0.000 1.012 384 G CA 1.164 46.297 45.100 0.054 0.000 0.749 384 G HN 0.225 nan 8.290 nan 0.000 0.512 385 K N -0.128 120.333 120.400 0.102 0.000 2.469 385 K HA 0.572 4.892 4.320 -0.000 0.000 0.254 385 K C -0.311 176.322 176.600 0.055 0.000 0.939 385 K CA -0.426 55.904 56.287 0.072 0.000 0.812 385 K CB 1.365 33.904 32.500 0.066 0.000 1.301 385 K HN 0.037 nan 8.250 nan 0.000 0.433 386 T N 4.111 118.681 114.554 0.027 0.000 2.909 386 T HA 0.400 4.750 4.350 -0.000 0.000 0.289 386 T C -2.298 172.347 174.700 -0.092 0.000 1.005 386 T CA -1.104 61.001 62.100 0.008 0.000 1.084 386 T CB 1.331 70.232 68.868 0.056 0.000 0.975 386 T HN 0.475 nan 8.240 nan 0.000 0.509 387 P HA 0.428 nan 4.420 nan 0.000 0.285 387 P C -1.072 175.931 177.300 -0.495 0.000 1.285 387 P CA -0.943 61.900 63.100 -0.429 0.000 0.854 387 P CB 1.309 32.636 31.700 -0.622 0.000 1.180 388 K N 0.823 120.955 120.400 -0.447 0.000 2.201 388 K HA 0.416 4.736 4.320 -0.000 0.000 0.278 388 K C -0.452 175.909 176.600 -0.398 0.000 1.027 388 K CA -0.259 55.855 56.287 -0.288 0.000 0.909 388 K CB 0.377 32.756 32.500 -0.201 0.000 1.062 388 K HN 0.338 nan 8.250 nan 0.000 0.465 389 F N 1.750 121.674 119.950 -0.044 0.000 2.425 389 F HA 0.342 4.869 4.527 -0.000 0.000 0.331 389 F C 0.454 176.298 175.800 0.072 0.000 1.085 389 F CA -0.582 57.406 58.000 -0.019 0.000 1.028 389 F CB 1.361 40.317 39.000 -0.073 0.000 1.177 389 F HN 0.136 nan 8.300 nan 0.000 0.487 390 K N 4.351 124.916 120.400 0.275 0.000 2.572 390 K HA 0.531 4.851 4.320 -0.000 0.000 0.244 390 K C -1.425 175.313 176.600 0.231 0.000 0.965 390 K CA -0.356 56.062 56.287 0.218 0.000 0.943 390 K CB 1.489 34.066 32.500 0.127 0.000 1.154 390 K HN 0.483 nan 8.250 nan 0.000 0.447 391 L N 3.226 124.621 121.223 0.287 0.000 2.334 391 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 391 L C -2.264 174.782 176.870 0.294 0.000 1.013 391 L CA -2.438 52.501 54.840 0.166 0.000 0.816 391 L CB 1.935 43.894 42.059 -0.166 0.000 1.278 391 L HN 0.266 nan 8.230 nan 0.000 0.431 392 P HA 0.277 nan 4.420 nan 0.000 0.218 392 P C -0.830 176.712 177.300 0.403 0.000 1.793 392 P CA 0.382 63.711 63.100 0.382 0.000 0.941 392 P CB -0.173 31.688 31.700 0.269 0.000 1.919 393 I N -0.858 119.996 120.570 0.474 0.000 2.667 393 I HA 0.195 4.365 4.170 -0.000 0.000 0.288 393 I C -1.048 175.164 176.117 0.158 0.000 1.267 393 I CA -0.757 60.638 61.300 0.158 0.000 1.055 393 I CB 1.848 39.851 38.000 0.005 0.000 1.294 393 I HN -0.136 nan 8.210 nan 0.000 0.429 394 Q N 6.311 125.892 119.800 -0.366 0.000 2.352 394 Q HA 0.177 4.517 4.340 -0.000 0.000 0.260 394 Q C 0.669 176.750 176.000 0.136 0.000 0.976 394 Q CA -0.258 55.284 55.803 -0.436 0.000 0.881 394 Q CB 1.344 29.674 28.738 -0.680 0.000 1.235 394 Q HN 0.612 nan 8.270 nan 0.000 0.419 395 K N 1.850 122.361 120.400 0.184 0.000 2.189 395 K HA -0.282 4.038 4.320 -0.000 0.000 0.207 395 K C 1.520 178.286 176.600 0.277 0.000 1.046 395 K CA 1.623 58.068 56.287 0.265 0.000 0.928 395 K CB 0.068 32.567 32.500 -0.001 0.000 0.720 395 K HN 0.590 nan 8.250 nan 0.000 0.458 396 E N 0.041 120.307 120.200 0.109 0.000 2.051 396 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 396 E C 2.057 178.701 176.600 0.074 0.000 0.991 396 E CA 1.818 58.251 56.400 0.056 0.000 0.799 396 E CB -0.039 29.649 29.700 -0.020 0.000 0.748 396 E HN 0.391 nan 8.360 nan 0.000 0.449 397 T N 0.829 115.430 114.554 0.077 0.000 2.684 397 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 397 T C 1.415 176.238 174.700 0.206 0.000 1.036 397 T CA 1.194 63.339 62.100 0.075 0.000 1.148 397 T CB -0.641 68.240 68.868 0.023 0.000 0.863 397 T HN 0.432 nan 8.240 nan 0.000 0.436 398 W N 2.172 123.560 121.300 0.148 0.000 2.335 398 W HA -0.176 4.484 4.660 -0.000 0.000 0.311 398 W C 2.051 178.743 176.519 0.289 0.000 1.213 398 W CA 1.468 58.982 57.345 0.282 0.000 1.274 398 W CB -0.226 29.481 29.460 0.413 0.000 1.148 398 W HN 0.394 nan 8.180 nan 0.000 0.498 399 E N -0.462 119.838 120.200 0.166 0.000 2.114 399 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 399 E C 2.017 178.297 176.600 -0.534 0.000 1.008 399 E CA 2.717 58.989 56.400 -0.214 0.000 0.810 399 E CB -0.408 29.264 29.700 -0.046 0.000 0.739 399 E HN 0.240 nan 8.360 nan 0.000 0.456 400 T N 0.539 114.939 114.554 -0.257 0.000 2.732 400 T HA -0.173 4.177 4.350 -0.000 0.000 0.261 400 T C 1.271 175.811 174.700 -0.267 0.000 1.040 400 T CA 0.953 62.906 62.100 -0.245 0.000 1.145 400 T CB -0.499 68.309 68.868 -0.100 0.000 0.866 400 T HN 0.413 nan 8.240 nan 0.000 0.427 401 W N 2.222 123.316 121.300 -0.343 0.000 2.304 401 W HA -0.207 4.453 4.660 -0.000 0.000 0.328 401 W C 2.432 178.726 176.519 -0.373 0.000 1.242 401 W CA 1.689 58.829 57.345 -0.342 0.000 1.243 401 W CB -0.664 28.620 29.460 -0.293 0.000 1.170 401 W HN 0.501 nan 8.180 nan 0.000 0.460 402 W N 1.486 122.284 121.300 -0.837 0.000 2.364 402 W HA -0.180 4.480 4.660 -0.000 0.000 0.281 402 W C 1.761 177.977 176.519 -0.505 0.000 1.219 402 W CA 1.584 58.420 57.345 -0.848 0.000 1.220 402 W CB -1.521 27.353 29.460 -0.976 0.000 1.127 402 W HN -0.080 nan 8.180 nan 0.000 0.556 403 T N 1.118 115.081 114.554 -0.986 0.000 2.904 403 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 403 T C 1.600 176.033 174.700 -0.445 0.000 1.059 403 T CA 1.670 63.193 62.100 -0.963 0.000 1.137 403 T CB -0.066 68.148 68.868 -1.090 0.000 0.879 403 T HN 0.174 nan 8.240 nan 0.000 0.467 404 E N -0.609 119.349 120.200 -0.403 0.000 2.431 404 E HA 0.082 4.432 4.350 -0.000 0.000 0.200 404 E C -0.078 176.380 176.600 -0.238 0.000 0.995 404 E CA -0.165 56.084 56.400 -0.251 0.000 0.915 404 E CB 0.130 29.716 29.700 -0.190 0.000 0.930 404 E HN 0.442 nan 8.360 nan 0.000 0.496 405 Y N 1.709 121.586 120.300 -0.705 0.000 2.497 405 Y HA -0.071 4.479 4.550 -0.000 0.000 0.334 405 Y C 0.895 176.477 175.900 -0.530 0.000 1.199 405 Y CA -1.043 56.490 58.100 -0.944 0.000 1.425 405 Y CB 0.292 37.836 38.460 -1.526 0.000 1.291 405 Y HN 0.025 nan 8.280 nan 0.000 0.562 406 W N 1.671 122.669 121.300 -0.503 0.000 2.678 406 W HA 0.172 4.832 4.660 -0.000 0.000 0.256 406 W C 0.109 176.361 176.519 -0.445 0.000 1.280 406 W CA -0.127 56.983 57.345 -0.391 0.000 1.345 406 W CB -0.506 28.779 29.460 -0.291 0.000 1.118 406 W HN 0.415 nan 8.180 nan 0.000 0.629 407 Q N 1.608 120.786 119.800 -1.036 0.000 2.259 407 Q HA 0.548 4.888 4.340 -0.000 0.000 0.246 407 Q C -0.143 175.660 176.000 -0.329 0.000 0.920 407 Q CA -0.186 55.254 55.803 -0.605 0.000 0.895 407 Q CB 1.406 29.636 28.738 -0.846 0.000 1.220 407 Q HN 0.196 nan 8.270 nan 0.000 0.439 408 A N 2.208 124.952 122.820 -0.126 0.000 2.354 408 A HA 0.726 5.045 4.320 -0.000 0.000 0.269 408 A C -0.677 176.923 177.584 0.028 0.000 1.109 408 A CA 0.002 52.014 52.037 -0.041 0.000 0.800 408 A CB 0.524 19.508 19.000 -0.026 0.000 1.045 408 A HN 0.783 nan 8.150 nan 0.000 0.489 409 T N 0.553 115.154 114.554 0.078 0.000 2.769 409 T HA 0.695 5.045 4.350 -0.000 0.000 0.306 409 T C -0.975 173.908 174.700 0.305 0.000 1.400 409 T CA -0.567 61.658 62.100 0.209 0.000 1.007 409 T CB 1.432 70.486 68.868 0.309 0.000 1.392 409 T HN 1.293 nan 8.240 nan 0.000 0.500 410 W N 0.795 122.208 121.300 0.189 0.000 2.926 410 W HA 0.669 5.329 4.660 -0.000 0.000 0.361 410 W C -2.981 173.605 176.519 0.112 0.000 1.195 410 W CA -1.160 56.291 57.345 0.176 0.000 1.177 410 W CB 0.468 29.914 29.460 -0.022 0.000 1.453 410 W HN 0.792 nan 8.180 nan 0.000 0.571 411 I N 3.964 124.079 120.570 -0.758 0.000 2.692 411 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 411 I C -2.000 173.354 176.117 -1.271 0.000 1.200 411 I CA -2.003 58.723 61.300 -0.957 0.000 1.036 411 I CB 2.919 40.181 38.000 -1.231 0.000 1.258 411 I HN 0.022 nan 8.210 nan 0.000 0.421 412 P HA 0.036 nan 4.420 nan 0.000 0.272 412 P C -0.456 176.794 177.300 -0.084 0.000 1.240 412 P CA -0.225 62.741 63.100 -0.224 0.000 0.791 412 P CB 0.593 32.373 31.700 0.132 0.000 0.978 413 E N 1.844 122.050 120.200 0.010 0.000 3.142 413 E HA -0.112 4.238 4.350 -0.000 0.000 0.276 413 E C -0.621 176.108 176.600 0.216 0.000 0.887 413 E CA 0.569 57.004 56.400 0.058 0.000 0.975 413 E CB 0.034 29.755 29.700 0.035 0.000 0.937 413 E HN 0.425 nan 8.360 nan 0.000 0.516 414 W N 2.731 123.968 121.300 -0.105 0.000 2.874 414 W HA 0.513 5.173 4.660 -0.000 0.000 0.403 414 W C -1.578 174.914 176.519 -0.045 0.000 1.144 414 W CA -0.632 56.679 57.345 -0.056 0.000 1.175 414 W CB 0.216 29.613 29.460 -0.105 0.000 1.483 414 W HN 0.621 nan 8.180 nan 0.000 0.591 415 E N 0.481 120.706 120.200 0.043 0.000 2.390 415 E HA 0.472 4.822 4.350 -0.000 0.000 0.280 415 E C -2.044 174.662 176.600 0.175 0.000 0.992 415 E CA -0.838 55.445 56.400 -0.196 0.000 0.790 415 E CB 2.665 32.302 29.700 -0.105 0.000 1.248 415 E HN 0.208 nan 8.360 nan 0.000 0.447 416 F N 2.453 122.381 119.950 -0.037 0.000 2.484 416 F HA 0.406 4.933 4.527 -0.000 0.000 0.360 416 F C -0.779 175.090 175.800 0.115 0.000 1.101 416 F CA -0.632 57.473 58.000 0.175 0.000 1.251 416 F CB 1.438 40.510 39.000 0.120 0.000 1.132 416 F HN 0.303 nan 8.300 nan 0.000 0.570 417 V N 7.903 127.402 119.914 -0.692 0.000 2.349 417 V HA 0.307 4.427 4.120 -0.000 0.000 0.284 417 V C -0.619 174.847 176.094 -1.046 0.000 1.014 417 V CA -0.793 61.114 62.300 -0.654 0.000 0.826 417 V CB 0.795 32.502 31.823 -0.194 0.000 1.009 417 V HN 0.828 nan 8.190 nan 0.000 0.431 418 N N 4.501 122.542 118.700 -1.099 0.000 2.416 418 N HA 0.242 4.982 4.740 -0.000 0.000 0.271 418 N C -0.538 174.874 175.510 -0.163 0.000 1.245 418 N CA 0.568 53.291 53.050 -0.544 0.000 0.940 418 N CB 0.459 38.839 38.487 -0.179 0.000 1.175 418 N HN 0.814 nan 8.380 nan 0.000 0.483 419 T N 3.966 118.509 114.554 -0.019 0.000 3.795 419 T HA 0.139 4.489 4.350 -0.000 0.000 0.215 419 T C -2.642 172.106 174.700 0.079 0.000 0.588 419 T CA -0.632 61.484 62.100 0.026 0.000 1.174 419 T CB 0.996 69.865 68.868 0.002 0.000 1.136 419 T HN 0.292 nan 8.240 nan 0.000 0.538 420 P HA 0.139 nan 4.420 nan 0.000 0.272 420 P C -2.289 175.051 177.300 0.065 0.000 1.243 420 P CA -0.796 62.362 63.100 0.096 0.000 0.803 420 P CB -0.127 31.624 31.700 0.085 0.000 0.974 421 P HA 0.050 nan 4.420 nan 0.000 0.263 421 P C -0.197 177.155 177.300 0.087 0.000 1.276 421 P CA 0.428 63.566 63.100 0.063 0.000 0.986 421 P CB -0.075 31.645 31.700 0.034 0.000 1.105 422 L N 3.029 124.318 121.223 0.110 0.000 2.492 422 L HA 0.071 4.411 4.340 -0.000 0.000 0.280 422 L C 0.820 177.734 176.870 0.073 0.000 1.240 422 L CA -0.150 54.771 54.840 0.135 0.000 0.831 422 L CB 0.119 42.266 42.059 0.147 0.000 1.100 422 L HN 0.141 nan 8.230 nan 0.000 0.505 423 V N 1.103 121.069 119.914 0.087 0.000 2.439 423 V HA 0.689 4.809 4.120 -0.000 0.000 0.282 423 V C 0.372 176.410 176.094 -0.092 0.000 1.039 423 V CA -0.395 61.933 62.300 0.047 0.000 0.913 423 V CB 0.991 32.898 31.823 0.139 0.000 0.983 423 V HN 0.882 nan 8.190 nan 0.000 0.460 424 K N 3.845 124.107 120.400 -0.230 0.000 2.546 424 K HA 0.722 5.042 4.320 -0.000 0.000 0.264 424 K C -1.137 175.185 176.600 -0.463 0.000 0.937 424 K CA -0.729 55.345 56.287 -0.355 0.000 0.833 424 K CB 1.203 33.423 32.500 -0.468 0.000 1.378 424 K HN 0.603 nan 8.250 nan 0.000 0.432 425 L N 2.408 123.441 121.223 -0.316 0.000 2.418 425 L HA 0.206 4.546 4.340 -0.000 0.000 0.274 425 L C 0.657 177.365 176.870 -0.270 0.000 1.135 425 L CA -0.220 54.471 54.840 -0.248 0.000 0.870 425 L CB 0.608 42.570 42.059 -0.162 0.000 1.154 425 L HN 0.953 nan 8.230 nan 0.000 0.462 426 W N 3.136 124.413 121.300 -0.039 0.000 2.467 426 W HA -0.052 4.608 4.660 -0.000 0.000 0.275 426 W C 0.503 177.134 176.519 0.186 0.000 1.239 426 W CA 0.125 57.519 57.345 0.082 0.000 1.266 426 W CB -0.125 29.426 29.460 0.152 0.000 1.112 426 W HN 0.507 nan 8.180 nan 0.000 0.576 427 Y N -2.674 117.755 120.300 0.215 0.000 2.818 427 Y HA 0.683 5.233 4.550 -0.000 0.000 0.322 427 Y C -0.860 175.107 175.900 0.113 0.000 1.323 427 Y CA -2.307 55.884 58.100 0.151 0.000 1.090 427 Y CB 0.815 39.367 38.460 0.153 0.000 1.328 427 Y HN -0.182 nan 8.280 nan 0.000 0.482 428 Q N 1.632 121.625 119.800 0.321 0.000 2.380 428 Q HA 0.410 4.750 4.340 -0.000 0.000 0.245 428 Q C -1.989 174.152 176.000 0.235 0.000 0.893 428 Q CA -0.463 55.437 55.803 0.161 0.000 0.922 428 Q CB 1.714 30.503 28.738 0.085 0.000 1.432 428 Q HN 0.845 nan 8.270 nan 0.000 0.434 429 L N 2.503 123.868 121.223 0.237 0.000 2.483 429 L HA 0.151 4.491 4.340 -0.000 0.000 0.275 429 L C 0.804 177.783 176.870 0.183 0.000 1.220 429 L CA -0.021 54.948 54.840 0.215 0.000 0.833 429 L CB 0.278 42.444 42.059 0.179 0.000 1.102 429 L HN 0.574 nan 8.230 nan 0.000 0.490 430 E N 1.791 122.125 120.200 0.222 0.000 2.392 430 E HA 0.046 4.396 4.350 -0.000 0.000 0.259 430 E C 0.361 177.137 176.600 0.293 0.000 1.108 430 E CA 0.003 56.549 56.400 0.242 0.000 0.916 430 E CB 0.920 30.792 29.700 0.286 0.000 0.989 430 E HN 0.424 nan 8.360 nan 0.000 0.432 431 K N 0.542 121.069 120.400 0.211 0.000 2.308 431 K HA 0.076 4.396 4.320 -0.000 0.000 0.197 431 K C 0.177 176.914 176.600 0.228 0.000 1.049 431 K CA 0.470 56.873 56.287 0.195 0.000 0.991 431 K CB 0.527 33.086 32.500 0.098 0.000 0.836 431 K HN 0.295 nan 8.250 nan 0.000 0.500 432 E N 0.946 121.194 120.200 0.080 0.000 2.288 432 E HA 0.233 4.583 4.350 -0.000 0.000 0.268 432 E C -2.721 173.440 176.600 -0.731 0.000 0.885 432 E CA -2.641 53.653 56.400 -0.176 0.000 0.767 432 E CB 1.628 31.263 29.700 -0.109 0.000 1.220 432 E HN -0.095 nan 8.360 nan 0.000 0.427 433 P HA 0.023 nan 4.420 nan 0.000 0.260 433 P C 0.079 177.068 177.300 -0.518 0.000 1.207 433 P CA -0.244 62.099 63.100 -1.263 0.000 0.780 433 P CB 0.124 31.416 31.700 -0.680 0.000 0.789 434 I N 5.770 126.129 120.570 -0.352 0.000 2.556 434 I HA -0.009 4.160 4.170 -0.000 0.000 0.284 434 I C -0.391 175.662 176.117 -0.108 0.000 1.114 434 I CA -0.282 60.928 61.300 -0.150 0.000 1.418 434 I CB 0.665 38.633 38.000 -0.053 0.000 1.394 434 I HN 0.088 nan 8.210 nan 0.000 0.552 435 V N 7.407 127.271 119.914 -0.082 0.000 2.439 435 V HA 0.714 4.834 4.120 -0.000 0.000 0.282 435 V C 0.831 176.899 176.094 -0.043 0.000 1.039 435 V CA 0.132 62.395 62.300 -0.062 0.000 0.913 435 V CB 0.426 32.216 31.823 -0.056 0.000 0.983 435 V HN 1.077 nan 8.190 nan 0.000 0.460 436 G N 2.895 111.671 108.800 -0.041 0.000 2.186 436 G HA2 0.352 4.312 3.960 -0.000 0.000 0.130 436 G HA3 0.352 4.312 3.960 -0.000 0.000 0.130 436 G C -0.167 174.715 174.900 -0.031 0.000 1.031 436 G CA 0.105 45.186 45.100 -0.032 0.000 0.697 436 G HN 1.762 nan 8.290 nan 0.000 0.494 437 A N -0.363 122.431 122.820 -0.044 0.000 2.555 437 A HA 0.738 5.058 4.320 -0.000 0.000 0.297 437 A C -0.084 177.441 177.584 -0.100 0.000 1.060 437 A CA -0.256 51.751 52.037 -0.051 0.000 0.710 437 A CB 0.944 19.936 19.000 -0.013 0.000 1.282 437 A HN 0.419 nan 8.150 nan 0.000 0.399 438 E N 0.447 120.533 120.200 -0.189 0.000 2.451 438 E HA 0.351 4.701 4.350 -0.000 0.000 0.256 438 E C 0.328 176.752 176.600 -0.294 0.000 1.294 438 E CA 0.564 56.773 56.400 -0.319 0.000 1.005 438 E CB 0.320 29.632 29.700 -0.647 0.000 0.990 438 E HN 0.728 nan 8.360 nan 0.000 0.505 439 T N -0.690 113.697 114.554 -0.277 0.000 3.141 439 T HA 0.332 4.682 4.350 -0.000 0.000 0.377 439 T C -0.805 173.886 174.700 -0.016 0.000 1.258 439 T CA -0.797 61.248 62.100 -0.092 0.000 1.263 439 T CB -0.658 68.246 68.868 0.059 0.000 1.066 439 T HN 0.214 nan 8.240 nan 0.000 0.546 440 F N 3.193 123.157 119.950 0.024 0.000 2.504 440 F HA 0.219 4.746 4.527 -0.000 0.000 0.365 440 F C 0.367 176.246 175.800 0.132 0.000 1.140 440 F CA -0.730 57.282 58.000 0.021 0.000 1.077 440 F CB -0.322 38.588 39.000 -0.149 0.000 1.106 440 F HN 0.531 nan 8.300 nan 0.000 0.578 441 Y N 3.230 123.634 120.300 0.173 0.000 2.573 441 Y HA 0.250 4.800 4.550 -0.000 0.000 0.346 441 Y C 0.654 176.652 175.900 0.162 0.000 1.198 441 Y CA -1.029 57.146 58.100 0.125 0.000 1.627 441 Y CB -0.547 37.953 38.460 0.066 0.000 1.457 441 Y HN 0.359 nan 8.280 nan 0.000 0.483 442 V N -0.217 119.839 119.914 0.237 0.000 3.264 442 V HA 0.619 4.739 4.120 -0.000 0.000 0.304 442 V C 0.054 176.224 176.094 0.128 0.000 1.086 442 V CA -0.421 61.997 62.300 0.196 0.000 1.090 442 V CB 1.699 33.609 31.823 0.145 0.000 1.112 442 V HN 0.557 nan 8.190 nan 0.000 0.472 443 D N -1.184 119.276 120.400 0.100 0.000 2.804 443 D HA 0.656 5.296 4.640 -0.000 0.000 0.309 443 D C -0.517 175.817 176.300 0.057 0.000 1.311 443 D CA 0.624 54.666 54.000 0.071 0.000 0.765 443 D CB 1.268 42.102 40.800 0.057 0.000 1.293 443 D HN 1.263 nan 8.370 nan 0.000 0.434 444 G N -1.101 107.732 108.800 0.055 0.000 2.506 444 G HA2 0.874 4.834 3.960 -0.000 0.000 0.292 444 G HA3 0.874 4.834 3.960 -0.000 0.000 0.292 444 G C -1.661 173.273 174.900 0.057 0.000 1.425 444 G CA 0.262 45.392 45.100 0.050 0.000 0.788 444 G HN 1.046 nan 8.290 nan 0.000 0.490 445 A N -1.477 121.374 122.820 0.052 0.000 2.511 445 A HA 1.169 5.489 4.320 -0.000 0.000 0.293 445 A C -0.592 177.021 177.584 0.047 0.000 1.098 445 A CA 0.246 52.317 52.037 0.057 0.000 0.643 445 A CB 0.903 19.934 19.000 0.051 0.000 1.302 445 A HN 2.744 nan 8.150 nan 0.000 0.446 446 A N -0.261 122.587 122.820 0.046 0.000 2.544 446 A HA 0.711 5.030 4.320 -0.000 0.000 0.291 446 A C -1.595 176.010 177.584 0.034 0.000 1.055 446 A CA -0.102 51.957 52.037 0.037 0.000 0.651 446 A CB 0.905 19.928 19.000 0.039 0.000 1.296 446 A HN 1.740 nan 8.150 nan 0.000 0.431 447 N N -0.339 118.377 118.700 0.027 0.000 2.443 447 N HA 0.398 5.138 4.740 -0.000 0.000 0.269 447 N C 0.672 176.194 175.510 0.021 0.000 0.985 447 N CA -0.638 52.426 53.050 0.024 0.000 0.921 447 N CB 1.139 39.638 38.487 0.020 0.000 1.195 447 N HN 0.549 nan 8.380 nan 0.000 0.492 448 R N 1.810 122.322 120.500 0.020 0.000 2.200 448 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 448 R C 0.050 176.358 176.300 0.013 0.000 1.127 448 R CA 1.276 57.385 56.100 0.016 0.000 0.989 448 R CB 0.113 30.421 30.300 0.014 0.000 0.869 448 R HN 0.695 nan 8.270 nan 0.000 0.459 449 E N -0.744 119.464 120.200 0.013 0.000 2.465 449 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 449 E C 0.766 177.373 176.600 0.011 0.000 1.028 449 E CA 0.628 57.035 56.400 0.011 0.000 0.899 449 E CB 0.840 30.546 29.700 0.011 0.000 1.032 449 E HN 0.352 nan 8.360 nan 0.000 0.468 450 T N -2.435 112.127 114.554 0.013 0.000 3.073 450 T HA 0.037 4.387 4.350 -0.000 0.000 0.264 450 T C 1.041 175.749 174.700 0.013 0.000 0.893 450 T CA 0.163 62.270 62.100 0.012 0.000 0.863 450 T CB -0.016 68.859 68.868 0.012 0.000 1.247 450 T HN 0.175 nan 8.240 nan 0.000 0.546 451 K N 0.904 121.313 120.400 0.015 0.000 3.547 451 K HA -0.209 4.111 4.320 -0.000 0.000 0.309 451 K C -0.528 176.082 176.600 0.018 0.000 1.324 451 K CA 1.568 57.864 56.287 0.016 0.000 0.988 451 K CB -2.812 29.697 32.500 0.014 0.000 1.261 451 K HN 0.584 nan 8.250 nan 0.000 0.444 452 L N -1.948 119.285 121.223 0.017 0.000 2.341 452 L HA 1.004 5.344 4.340 -0.000 0.000 0.267 452 L C 0.192 177.073 176.870 0.018 0.000 1.009 452 L CA 0.004 54.854 54.840 0.017 0.000 0.819 452 L CB 2.148 44.214 42.059 0.013 0.000 1.323 452 L HN 0.234 nan 8.230 nan 0.000 0.425 453 G N 0.449 109.260 108.800 0.018 0.000 2.576 453 G HA2 0.517 4.477 3.960 -0.000 0.000 0.290 453 G HA3 0.517 4.477 3.960 -0.000 0.000 0.290 453 G C -1.640 173.268 174.900 0.014 0.000 1.442 453 G CA -0.955 44.156 45.100 0.019 0.000 0.792 453 G HN 0.626 nan 8.290 nan 0.000 0.491 454 K N -0.795 119.611 120.400 0.010 0.000 2.132 454 K HA 0.817 5.137 4.320 -0.000 0.000 0.241 454 K C -0.393 176.208 176.600 0.002 0.000 1.000 454 K CA -0.358 55.928 56.287 -0.001 0.000 0.911 454 K CB 1.982 34.477 32.500 -0.009 0.000 1.093 454 K HN 1.026 nan 8.250 nan 0.000 0.460 455 A N 0.567 123.378 122.820 -0.015 0.000 2.508 455 A HA 0.577 4.897 4.320 -0.000 0.000 0.297 455 A C -0.867 176.684 177.584 -0.055 0.000 1.036 455 A CA -0.274 51.757 52.037 -0.011 0.000 0.957 455 A CB 0.951 19.960 19.000 0.015 0.000 1.428 455 A HN 0.741 nan 8.150 nan 0.000 0.393 456 G N 0.741 109.500 108.800 -0.068 0.000 2.576 456 G HA2 0.673 4.633 3.960 -0.000 0.000 0.290 456 G HA3 0.673 4.633 3.960 -0.000 0.000 0.290 456 G C -0.758 174.097 174.900 -0.075 0.000 1.442 456 G CA -0.074 44.918 45.100 -0.179 0.000 0.792 456 G HN 1.596 nan 8.290 nan 0.000 0.491 457 Y N -1.609 118.724 120.300 0.054 0.000 2.340 457 Y HA 0.768 5.318 4.550 -0.000 0.000 0.327 457 Y C -0.110 175.872 175.900 0.136 0.000 1.321 457 Y CA -1.282 56.893 58.100 0.124 0.000 1.433 457 Y CB 1.644 40.212 38.460 0.179 0.000 1.373 457 Y HN 0.329 nan 8.280 nan 0.000 0.538 458 V N 1.471 121.689 119.914 0.508 0.000 2.763 458 V HA 0.088 4.208 4.120 -0.000 0.000 0.257 458 V C 0.023 176.237 176.094 0.201 0.000 0.906 458 V CA -0.374 62.103 62.300 0.296 0.000 0.894 458 V CB 0.708 32.607 31.823 0.127 0.000 1.052 458 V HN 1.096 nan 8.190 nan 0.000 0.491 459 T N 1.433 116.094 114.554 0.178 0.000 2.795 459 T HA 0.036 4.386 4.350 -0.000 0.000 0.314 459 T C 1.674 176.332 174.700 -0.069 0.000 1.069 459 T CA 0.672 62.757 62.100 -0.025 0.000 1.071 459 T CB 0.639 69.312 68.868 -0.326 0.000 0.988 459 T HN 0.739 nan 8.240 nan 0.000 0.543 460 N N 2.045 120.687 118.700 -0.097 0.000 2.223 460 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 460 N C 0.676 176.134 175.510 -0.088 0.000 1.016 460 N CA 1.125 54.114 53.050 -0.102 0.000 0.863 460 N CB -0.439 38.011 38.487 -0.062 0.000 0.983 460 N HN 0.687 nan 8.380 nan 0.000 0.429 461 K N 0.788 121.133 120.400 -0.092 0.000 3.277 461 K HA 0.222 4.542 4.320 -0.000 0.000 0.280 461 K C 0.816 177.392 176.600 -0.041 0.000 1.182 461 K CA 0.271 56.517 56.287 -0.069 0.000 1.219 461 K CB -0.577 31.873 32.500 -0.083 0.000 1.373 461 K HN 0.325 nan 8.250 nan 0.000 0.392 462 G N 1.821 110.598 108.800 -0.039 0.000 2.271 462 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.277 462 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.277 462 G C 0.431 175.341 174.900 0.017 0.000 1.004 462 G CA 1.012 46.102 45.100 -0.018 0.000 0.679 462 G HN 0.545 nan 8.290 nan 0.000 0.540 463 R N -0.348 120.174 120.500 0.036 0.000 2.738 463 R HA 0.531 4.871 4.340 -0.000 0.000 0.268 463 R C 0.363 176.776 176.300 0.189 0.000 1.062 463 R CA 0.384 56.549 56.100 0.108 0.000 1.158 463 R CB 0.298 30.673 30.300 0.124 0.000 1.046 463 R HN 0.334 nan 8.270 nan 0.000 0.493 464 Q N 0.483 120.420 119.800 0.228 0.000 2.857 464 Q HA 0.558 4.898 4.340 -0.000 0.000 0.319 464 Q C -1.788 174.295 176.000 0.139 0.000 0.963 464 Q CA -0.842 55.076 55.803 0.192 0.000 0.770 464 Q CB 1.894 30.673 28.738 0.068 0.000 1.492 464 Q HN 0.519 nan 8.270 nan 0.000 0.493 465 K N -1.258 119.061 120.400 -0.135 0.000 2.880 465 K HA 0.521 4.841 4.320 -0.000 0.000 0.302 465 K C -2.231 174.172 176.600 -0.328 0.000 1.135 465 K CA -0.231 55.854 56.287 -0.336 0.000 0.917 465 K CB 0.772 32.768 32.500 -0.841 0.000 1.387 465 K HN 0.325 nan 8.250 nan 0.000 0.380 466 V N 3.594 123.376 119.914 -0.219 0.000 4.076 466 V HA 0.156 4.276 4.120 -0.000 0.000 0.361 466 V C -0.559 175.474 176.094 -0.101 0.000 1.140 466 V CA -0.303 61.908 62.300 -0.149 0.000 1.735 466 V CB 1.069 32.839 31.823 -0.088 0.000 0.688 466 V HN 0.767 nan 8.190 nan 0.000 0.487 467 V N 1.726 121.576 119.914 -0.107 0.000 2.599 467 V HA 0.435 4.554 4.120 -0.000 0.000 0.300 467 V C -1.695 174.379 176.094 -0.034 0.000 1.034 467 V CA -0.786 61.478 62.300 -0.060 0.000 1.115 467 V CB 0.668 32.461 31.823 -0.049 0.000 0.934 467 V HN 0.542 nan 8.190 nan 0.000 0.485 468 P HA 0.615 nan 4.420 nan 0.000 0.288 468 P C -1.220 176.080 177.300 0.000 0.000 1.267 468 P CA -0.551 62.543 63.100 -0.009 0.000 0.815 468 P CB 1.697 33.392 31.700 -0.008 0.000 0.989 469 L N 2.127 123.354 121.223 0.006 0.000 2.401 469 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 469 L C 0.538 177.416 176.870 0.013 0.000 0.991 469 L CA -0.388 54.459 54.840 0.012 0.000 0.818 469 L CB 2.265 44.335 42.059 0.018 0.000 1.321 469 L HN 0.390 nan 8.230 nan 0.000 0.413 470 T N -1.866 112.696 114.554 0.014 0.000 2.887 470 T HA 0.496 4.846 4.350 -0.000 0.000 0.288 470 T C 0.004 174.713 174.700 0.016 0.000 1.021 470 T CA -0.782 61.326 62.100 0.013 0.000 1.000 470 T CB 1.568 70.443 68.868 0.011 0.000 1.034 470 T HN 0.575 nan 8.240 nan 0.000 0.467 471 N N 1.177 119.887 118.700 0.016 0.000 2.753 471 N HA -0.140 4.600 4.740 -0.000 0.000 0.252 471 N C -0.195 175.328 175.510 0.023 0.000 1.071 471 N CA 1.411 54.472 53.050 0.018 0.000 0.690 471 N CB -1.165 37.331 38.487 0.015 0.000 0.906 471 N HN 1.207 nan 8.380 nan 0.000 0.552 472 T N -3.446 111.124 114.554 0.027 0.000 2.681 472 T HA 0.830 5.180 4.350 -0.000 0.000 0.296 472 T C -0.211 174.512 174.700 0.039 0.000 1.157 472 T CA -0.201 61.921 62.100 0.036 0.000 1.025 472 T CB 2.616 71.507 68.868 0.039 0.000 1.441 472 T HN 0.239 nan 8.240 nan 0.000 0.504 473 T N -1.167 113.418 114.554 0.052 0.000 3.012 473 T HA 0.399 4.749 4.350 -0.000 0.000 0.330 473 T C 0.387 175.132 174.700 0.074 0.000 1.321 473 T CA -0.867 61.264 62.100 0.052 0.000 1.067 473 T CB 1.338 70.230 68.868 0.040 0.000 1.235 473 T HN 0.582 nan 8.240 nan 0.000 0.479 474 N N 1.690 120.433 118.700 0.073 0.000 2.090 474 N HA -0.363 4.377 4.740 -0.000 0.000 0.156 474 N C 1.657 177.250 175.510 0.139 0.000 0.679 474 N CA 2.568 55.676 53.050 0.096 0.000 0.868 474 N CB -0.808 37.734 38.487 0.092 0.000 0.926 474 N HN 0.793 nan 8.380 nan 0.000 1.155 475 Q N 0.332 120.228 119.800 0.161 0.000 2.061 475 Q HA -0.047 4.293 4.340 -0.000 0.000 0.204 475 Q C 1.876 178.061 176.000 0.309 0.000 0.984 475 Q CA 1.484 57.477 55.803 0.317 0.000 0.846 475 Q CB -0.052 28.781 28.738 0.157 0.000 0.902 475 Q HN 0.401 nan 8.270 nan 0.000 0.421 476 K N 0.009 120.525 120.400 0.194 0.000 2.002 476 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 476 K C 2.377 179.036 176.600 0.099 0.000 1.048 476 K CA 1.963 58.332 56.287 0.137 0.000 0.930 476 K CB -1.145 31.410 32.500 0.091 0.000 0.714 476 K HN 0.526 nan 8.250 nan 0.000 0.438 477 T N -0.354 114.254 114.554 0.090 0.000 2.674 477 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 477 T C 1.998 176.743 174.700 0.075 0.000 1.039 477 T CA 1.520 63.662 62.100 0.071 0.000 1.150 477 T CB -0.297 68.608 68.868 0.061 0.000 0.864 477 T HN 0.198 nan 8.240 nan 0.000 0.427 478 E N 0.212 120.469 120.200 0.096 0.000 2.331 478 E HA -0.031 4.319 4.350 -0.000 0.000 0.199 478 E C 1.752 178.386 176.600 0.057 0.000 1.008 478 E CA 0.539 56.992 56.400 0.089 0.000 0.843 478 E CB -0.301 29.472 29.700 0.122 0.000 0.761 478 E HN 0.432 nan 8.360 nan 0.000 0.507 479 L N -0.156 121.094 121.223 0.045 0.000 2.416 479 L HA 0.042 4.382 4.340 -0.000 0.000 0.216 479 L C 1.870 178.751 176.870 0.019 0.000 1.098 479 L CA 1.080 55.910 54.840 -0.017 0.000 0.840 479 L CB 0.007 42.032 42.059 -0.058 0.000 0.981 479 L HN 0.031 nan 8.230 nan 0.000 0.462 480 Q N -0.419 119.412 119.800 0.051 0.000 2.062 480 Q HA 0.036 4.376 4.340 -0.000 0.000 0.196 480 Q C 2.219 178.286 176.000 0.111 0.000 0.967 480 Q CA 1.693 57.547 55.803 0.084 0.000 0.832 480 Q CB -0.247 28.529 28.738 0.065 0.000 0.899 480 Q HN 0.459 nan 8.270 nan 0.000 0.442 481 A N 0.855 123.719 122.820 0.073 0.000 1.859 481 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 481 A C 2.113 179.753 177.584 0.093 0.000 1.209 481 A CA 1.959 54.038 52.037 0.069 0.000 0.639 481 A CB -1.194 17.850 19.000 0.072 0.000 0.835 481 A HN 0.494 nan 8.150 nan 0.000 0.450 482 I N -1.700 118.919 120.570 0.081 0.000 2.479 482 I HA -0.304 3.866 4.170 -0.000 0.000 0.258 482 I C 2.398 178.569 176.117 0.090 0.000 1.165 482 I CA 1.669 63.008 61.300 0.064 0.000 1.422 482 I CB -0.345 37.677 38.000 0.035 0.000 1.087 482 I HN 0.586 nan 8.210 nan 0.000 0.441 483 Y N 1.486 121.763 120.300 -0.038 0.000 2.184 483 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 483 Y C 2.176 178.044 175.900 -0.054 0.000 1.129 483 Y CA 1.325 59.394 58.100 -0.052 0.000 1.144 483 Y CB -0.469 37.965 38.460 -0.044 0.000 0.995 483 Y HN -0.004 nan 8.280 nan 0.000 0.513 484 L N 0.034 121.184 121.223 -0.122 0.000 1.955 484 L HA -0.263 4.076 4.340 -0.000 0.000 0.213 484 L C 2.770 179.514 176.870 -0.210 0.000 1.072 484 L CA 1.592 56.326 54.840 -0.177 0.000 0.755 484 L CB -1.424 40.619 42.059 -0.026 0.000 0.888 484 L HN 0.228 nan 8.230 nan 0.000 0.432 485 A N -0.101 122.608 122.820 -0.184 0.000 2.104 485 A HA -0.214 4.106 4.320 -0.000 0.000 0.223 485 A C 2.179 179.399 177.584 -0.606 0.000 1.164 485 A CA 1.829 53.406 52.037 -0.767 0.000 0.659 485 A CB -0.869 17.866 19.000 -0.442 0.000 0.808 485 A HN 0.475 nan 8.150 nan 0.000 0.465 486 L N -1.872 119.157 121.223 -0.323 0.000 2.509 486 L HA -0.048 4.291 4.340 -0.000 0.000 0.222 486 L C 2.498 179.224 176.870 -0.239 0.000 1.123 486 L CA 0.550 55.260 54.840 -0.217 0.000 0.856 486 L CB -0.190 41.806 42.059 -0.105 0.000 0.985 486 L HN 0.495 nan 8.230 nan 0.000 0.456 487 Q N -0.589 119.013 119.800 -0.330 0.000 2.388 487 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 487 Q C 0.077 175.962 176.000 -0.191 0.000 0.946 487 Q CA 0.282 55.925 55.803 -0.267 0.000 0.880 487 Q CB 0.388 28.911 28.738 -0.359 0.000 0.997 487 Q HN 0.278 nan 8.270 nan 0.000 0.552 488 D N 1.442 121.702 120.400 -0.232 0.000 2.848 488 D HA 0.163 4.803 4.640 -0.000 0.000 0.232 488 D C -0.734 175.442 176.300 -0.206 0.000 1.107 488 D CA 0.442 54.340 54.000 -0.170 0.000 1.020 488 D CB 0.203 40.932 40.800 -0.119 0.000 1.148 488 D HN -0.094 nan 8.370 nan 0.000 0.453 489 S N -1.123 114.538 115.700 -0.066 0.000 2.552 489 S HA 0.597 5.067 4.470 -0.000 0.000 0.272 489 S C 0.171 174.813 174.600 0.070 0.000 1.150 489 S CA -0.776 57.487 58.200 0.104 0.000 0.849 489 S CB 1.359 64.601 63.200 0.070 0.000 1.113 489 S HN 0.260 nan 8.310 nan 0.000 0.458 490 G N 1.028 109.887 108.800 0.097 0.000 2.553 490 G HA2 0.434 4.394 3.960 -0.000 0.000 0.278 490 G HA3 0.434 4.394 3.960 -0.000 0.000 0.278 490 G C 0.102 175.030 174.900 0.046 0.000 1.349 490 G CA -0.514 44.618 45.100 0.052 0.000 1.037 490 G HN 0.555 nan 8.290 nan 0.000 0.508 491 L N 0.255 121.499 121.223 0.035 0.000 2.713 491 L HA 0.245 4.585 4.340 -0.000 0.000 0.245 491 L C 0.763 177.660 176.870 0.045 0.000 1.169 491 L CA 0.703 55.564 54.840 0.036 0.000 0.962 491 L CB -1.319 40.758 42.059 0.031 0.000 1.161 491 L HN 0.448 nan 8.230 nan 0.000 0.427 492 E N -1.355 118.876 120.200 0.052 0.000 2.343 492 E HA 0.557 4.907 4.350 -0.000 0.000 0.288 492 E C -1.553 175.090 176.600 0.073 0.000 0.907 492 E CA -0.246 56.188 56.400 0.056 0.000 0.792 492 E CB 2.843 32.563 29.700 0.034 0.000 1.275 492 E HN -0.179 nan 8.360 nan 0.000 0.402 493 V N 2.687 122.661 119.914 0.099 0.000 3.204 493 V HA 0.459 4.579 4.120 -0.000 0.000 0.298 493 V C -1.889 174.300 176.094 0.160 0.000 1.328 493 V CA -0.591 61.788 62.300 0.133 0.000 1.035 493 V CB 2.518 34.482 31.823 0.235 0.000 1.095 493 V HN 0.725 nan 8.190 nan 0.000 0.442 494 N N 4.883 123.673 118.700 0.150 0.000 2.407 494 N HA 0.673 5.413 4.740 -0.000 0.000 0.277 494 N C -1.083 174.521 175.510 0.156 0.000 0.995 494 N CA -0.594 52.581 53.050 0.208 0.000 0.903 494 N CB 1.840 40.420 38.487 0.155 0.000 1.218 494 N HN 0.545 nan 8.380 nan 0.000 0.487 495 I N 1.446 122.083 120.570 0.112 0.000 2.750 495 I HA 0.547 4.717 4.170 -0.000 0.000 0.308 495 I C -0.419 175.662 176.117 -0.059 0.000 1.016 495 I CA -1.138 60.202 61.300 0.067 0.000 1.098 495 I CB 2.146 40.186 38.000 0.065 0.000 1.279 495 I HN 0.099 nan 8.210 nan 0.000 0.454 496 V N 2.605 122.455 119.914 -0.108 0.000 2.577 496 V HA 0.320 4.440 4.120 -0.000 0.000 0.294 496 V C -0.388 175.631 176.094 -0.124 0.000 1.052 496 V CA -0.366 61.806 62.300 -0.213 0.000 0.891 496 V CB 2.059 33.551 31.823 -0.551 0.000 1.017 496 V HN 0.907 nan 8.190 nan 0.000 0.436 497 T N 1.321 115.830 114.554 -0.075 0.000 2.950 497 T HA 0.454 4.803 4.350 -0.000 0.000 0.288 497 T C 0.364 174.992 174.700 -0.119 0.000 1.035 497 T CA -0.484 61.601 62.100 -0.024 0.000 1.028 497 T CB 1.943 70.851 68.868 0.066 0.000 1.109 497 T HN 0.747 nan 8.240 nan 0.000 0.514 498 D N -0.872 119.494 120.400 -0.057 0.000 2.398 498 D HA 0.050 4.690 4.640 -0.000 0.000 0.210 498 D C 0.553 177.014 176.300 0.268 0.000 1.094 498 D CA -0.240 53.682 54.000 -0.129 0.000 0.839 498 D CB 0.071 40.842 40.800 -0.050 0.000 0.963 498 D HN 0.441 nan 8.370 nan 0.000 0.506 499 S N -0.029 115.860 115.700 0.315 0.000 2.433 499 S HA 0.240 4.710 4.470 -0.000 0.000 0.310 499 S C 0.864 175.655 174.600 0.318 0.000 1.097 499 S CA -0.599 57.807 58.200 0.344 0.000 1.103 499 S CB 2.226 65.564 63.200 0.230 0.000 0.992 499 S HN 0.009 nan 8.310 nan 0.000 0.469 500 Q N 2.294 122.227 119.800 0.222 0.000 2.123 500 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 500 Q C 1.336 177.377 176.000 0.069 0.000 0.966 500 Q CA 1.314 57.106 55.803 -0.017 0.000 0.845 500 Q CB -0.474 28.173 28.738 -0.152 0.000 0.907 500 Q HN 0.935 nan 8.270 nan 0.000 0.439 501 Y N 1.891 122.211 120.300 0.033 0.000 2.069 501 Y HA -0.334 4.216 4.550 -0.000 0.000 0.278 501 Y C 2.237 178.176 175.900 0.064 0.000 1.175 501 Y CA 1.497 59.628 58.100 0.051 0.000 1.134 501 Y CB -0.835 37.666 38.460 0.068 0.000 0.965 501 Y HN 0.076 nan 8.280 nan 0.000 0.498 502 A N 0.245 122.915 122.820 -0.251 0.000 1.855 502 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 502 A C 2.265 179.763 177.584 -0.144 0.000 1.191 502 A CA 1.689 53.533 52.037 -0.321 0.000 0.613 502 A CB -1.399 17.521 19.000 -0.133 0.000 0.829 502 A HN 0.509 nan 8.150 nan 0.000 0.442 503 L N 0.354 121.556 121.223 -0.034 0.000 2.013 503 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 503 L C 2.446 179.302 176.870 -0.024 0.000 1.073 503 L CA 2.430 57.262 54.840 -0.013 0.000 0.753 503 L CB -1.327 40.736 42.059 0.006 0.000 0.890 503 L HN 0.356 nan 8.230 nan 0.000 0.432 504 G N -0.277 108.494 108.800 -0.049 0.000 2.459 504 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 504 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 504 G C 1.645 176.640 174.900 0.159 0.000 1.183 504 G CA 1.189 46.285 45.100 -0.006 0.000 0.776 504 G HN 0.489 nan 8.290 nan 0.000 0.552 505 I N 0.864 121.486 120.570 0.088 0.000 2.151 505 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 505 I C 2.677 178.879 176.117 0.141 0.000 1.080 505 I CA 0.880 62.245 61.300 0.108 0.000 1.339 505 I CB -0.410 37.500 38.000 -0.150 0.000 1.039 505 I HN 0.114 nan 8.210 nan 0.000 0.409 506 I N 0.722 121.350 120.570 0.097 0.000 2.113 506 I HA -0.283 3.887 4.170 -0.000 0.000 0.238 506 I C 2.650 178.940 176.117 0.287 0.000 1.070 506 I CA 1.695 63.096 61.300 0.169 0.000 1.332 506 I CB -1.405 36.658 38.000 0.105 0.000 1.044 506 I HN 0.374 nan 8.210 nan 0.000 0.402 507 Q N 0.719 120.696 119.800 0.294 0.000 2.173 507 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 507 Q C 2.166 178.460 176.000 0.490 0.000 0.989 507 Q CA 1.969 58.018 55.803 0.410 0.000 0.872 507 Q CB -0.410 28.598 28.738 0.450 0.000 0.909 507 Q HN 0.579 nan 8.270 nan 0.000 0.420 508 A N 0.723 123.887 122.820 0.573 0.000 2.285 508 A HA -0.220 4.100 4.320 -0.000 0.000 0.214 508 A C 0.494 178.204 177.584 0.210 0.000 1.188 508 A CA 0.935 53.201 52.037 0.382 0.000 0.707 508 A CB -0.391 18.865 19.000 0.427 0.000 0.771 508 A HN 0.494 nan 8.150 nan 0.000 0.488 509 Q N -2.060 117.837 119.800 0.162 0.000 2.453 509 Q HA -0.143 4.197 4.340 -0.000 0.000 0.294 509 Q C -2.175 173.792 176.000 -0.056 0.000 1.295 509 Q CA 0.474 56.203 55.803 -0.124 0.000 0.853 509 Q CB -1.905 26.722 28.738 -0.184 0.000 1.193 509 Q HN 0.640 nan 8.270 nan 0.000 0.461 510 P HA -0.069 nan 4.420 nan 0.000 0.266 510 P C 0.033 177.468 177.300 0.225 0.000 1.195 510 P CA 0.854 64.057 63.100 0.170 0.000 0.768 510 P CB 0.562 32.380 31.700 0.196 0.000 0.838 511 D N 1.212 121.702 120.400 0.150 0.000 2.620 511 D HA 0.155 4.795 4.640 -0.000 0.000 0.260 511 D C -0.106 176.220 176.300 0.043 0.000 1.367 511 D CA -0.407 53.676 54.000 0.139 0.000 0.805 511 D CB 0.063 40.998 40.800 0.225 0.000 1.096 511 D HN 0.492 nan 8.370 nan 0.000 0.488 512 K N -2.338 118.099 120.400 0.062 0.000 2.774 512 K HA 0.539 4.859 4.320 -0.000 0.000 0.283 512 K C -1.716 174.936 176.600 0.086 0.000 1.050 512 K CA -0.793 55.517 56.287 0.038 0.000 0.872 512 K CB 1.162 33.677 32.500 0.026 0.000 1.434 512 K HN -0.046 nan 8.250 nan 0.000 0.372 513 S N -0.175 115.573 115.700 0.079 0.000 2.643 513 S HA 0.279 4.749 4.470 -0.000 0.000 0.270 513 S C -0.365 174.297 174.600 0.102 0.000 1.166 513 S CA -0.310 57.981 58.200 0.152 0.000 0.815 513 S CB 1.998 65.325 63.200 0.211 0.000 1.139 513 S HN 0.798 nan 8.310 nan 0.000 0.472 514 E N 0.958 121.235 120.200 0.128 0.000 2.140 514 E HA 0.176 4.526 4.350 -0.000 0.000 0.191 514 E C 0.479 177.120 176.600 0.067 0.000 0.973 514 E CA 0.771 57.212 56.400 0.069 0.000 0.829 514 E CB 0.194 29.918 29.700 0.041 0.000 0.781 514 E HN 0.563 nan 8.360 nan 0.000 0.466 515 S N -0.000 115.764 115.700 0.107 0.000 2.489 515 S HA 0.247 4.717 4.470 -0.000 0.000 0.291 515 S C 0.786 175.390 174.600 0.007 0.000 1.151 515 S CA -0.827 57.410 58.200 0.062 0.000 1.082 515 S CB 1.589 64.846 63.200 0.094 0.000 1.019 515 S HN -0.050 nan 8.310 nan 0.000 0.492 516 E N 1.711 121.894 120.200 -0.029 0.000 2.031 516 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 516 E C 1.939 178.452 176.600 -0.144 0.000 0.994 516 E CA 0.767 57.123 56.400 -0.073 0.000 0.800 516 E CB -0.459 29.200 29.700 -0.069 0.000 0.752 516 E HN 0.716 nan 8.360 nan 0.000 0.447 517 L N 1.154 122.277 121.223 -0.167 0.000 2.085 517 L HA -0.243 4.097 4.340 -0.000 0.000 0.218 517 L C 2.168 178.851 176.870 -0.312 0.000 1.080 517 L CA 1.825 56.492 54.840 -0.288 0.000 0.776 517 L CB -0.770 41.181 42.059 -0.181 0.000 0.891 517 L HN 0.004 nan 8.230 nan 0.000 0.437 518 V N -0.112 119.690 119.914 -0.188 0.000 2.649 518 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 518 V C 2.342 178.354 176.094 -0.136 0.000 1.054 518 V CA 1.358 63.550 62.300 -0.180 0.000 1.073 518 V CB -0.620 31.074 31.823 -0.214 0.000 0.699 518 V HN 0.486 nan 8.190 nan 0.000 0.463 519 N N 0.184 118.820 118.700 -0.107 0.000 2.244 519 N HA -0.178 4.562 4.740 -0.000 0.000 0.183 519 N C 1.885 177.330 175.510 -0.109 0.000 1.016 519 N CA 1.264 54.263 53.050 -0.084 0.000 0.866 519 N CB -0.021 38.426 38.487 -0.067 0.000 0.980 519 N HN 0.608 nan 8.380 nan 0.000 0.430 520 Q N 0.379 120.078 119.800 -0.170 0.000 2.187 520 Q HA 0.095 4.434 4.340 -0.000 0.000 0.199 520 Q C 2.075 178.026 176.000 -0.082 0.000 0.957 520 Q CA 0.638 56.343 55.803 -0.163 0.000 0.857 520 Q CB 0.183 28.694 28.738 -0.378 0.000 0.929 520 Q HN 0.381 nan 8.270 nan 0.000 0.453 521 I N 0.372 120.844 120.570 -0.163 0.000 2.439 521 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 521 I C 1.991 178.053 176.117 -0.092 0.000 1.139 521 I CA 0.987 62.265 61.300 -0.036 0.000 1.438 521 I CB -0.158 37.794 38.000 -0.079 0.000 1.085 521 I HN 0.217 nan 8.210 nan 0.000 0.427 522 I N 0.536 121.038 120.570 -0.114 0.000 2.315 522 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 522 I C 2.522 178.539 176.117 -0.167 0.000 1.117 522 I CA 1.062 62.270 61.300 -0.153 0.000 1.404 522 I CB -0.248 37.734 38.000 -0.030 0.000 1.071 522 I HN 0.163 nan 8.210 nan 0.000 0.419 523 E N 1.177 121.319 120.200 -0.096 0.000 2.058 523 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 523 E C 2.415 178.982 176.600 -0.056 0.000 0.997 523 E CA 2.212 58.570 56.400 -0.069 0.000 0.801 523 E CB -0.332 29.349 29.700 -0.032 0.000 0.746 523 E HN 0.502 nan 8.360 nan 0.000 0.450 524 Q N -0.292 119.493 119.800 -0.026 0.000 2.167 524 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 524 Q C 2.152 178.093 176.000 -0.098 0.000 0.970 524 Q CA 1.551 57.336 55.803 -0.031 0.000 0.855 524 Q CB -0.624 28.125 28.738 0.018 0.000 0.911 524 Q HN 0.244 nan 8.270 nan 0.000 0.438 525 L N 0.065 121.158 121.223 -0.217 0.000 2.072 525 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 525 L C 2.431 179.155 176.870 -0.243 0.000 1.079 525 L CA 1.513 56.130 54.840 -0.372 0.000 0.752 525 L CB -0.480 41.013 42.059 -0.944 0.000 0.906 525 L HN 0.652 nan 8.230 nan 0.000 0.436 526 I N -0.866 119.604 120.570 -0.167 0.000 2.916 526 I HA -0.254 3.916 4.170 -0.000 0.000 0.267 526 I C 2.272 178.431 176.117 0.070 0.000 1.263 526 I CA 1.071 62.417 61.300 0.077 0.000 1.471 526 I CB -0.078 37.997 38.000 0.126 0.000 1.089 526 I HN 0.300 nan 8.210 nan 0.000 0.468 527 K N 0.688 121.092 120.400 0.008 0.000 2.323 527 K HA 0.001 4.321 4.320 -0.000 0.000 0.197 527 K C 1.146 177.761 176.600 0.025 0.000 1.043 527 K CA -0.030 56.268 56.287 0.018 0.000 0.997 527 K CB 0.331 32.829 32.500 -0.003 0.000 0.807 527 K HN 0.098 nan 8.250 nan 0.000 0.497 528 K N 0.855 121.267 120.400 0.020 0.000 2.948 528 K HA 0.042 4.362 4.320 -0.000 0.000 0.323 528 K C 0.595 177.228 176.600 0.055 0.000 1.015 528 K CA 0.473 56.780 56.287 0.033 0.000 1.117 528 K CB 0.080 32.599 32.500 0.032 0.000 1.264 528 K HN 0.072 nan 8.250 nan 0.000 0.486 529 E N -0.790 119.448 120.200 0.062 0.000 2.581 529 E HA 0.126 4.476 4.350 -0.000 0.000 0.195 529 E C -0.824 175.820 176.600 0.074 0.000 0.936 529 E CA 0.079 56.519 56.400 0.067 0.000 1.387 529 E CB 1.058 30.788 29.700 0.051 0.000 1.424 529 E HN 0.218 nan 8.360 nan 0.000 0.742 530 K N 1.560 122.008 120.400 0.080 0.000 2.800 530 K HA 0.215 4.535 4.320 -0.000 0.000 0.275 530 K C -1.286 175.384 176.600 0.116 0.000 1.294 530 K CA -0.091 56.252 56.287 0.094 0.000 1.014 530 K CB 1.953 34.494 32.500 0.069 0.000 1.380 530 K HN -0.170 nan 8.250 nan 0.000 0.543 531 V N 2.054 122.050 119.914 0.136 0.000 2.617 531 V HA 0.441 4.561 4.120 -0.000 0.000 0.298 531 V C -0.661 175.562 176.094 0.215 0.000 1.048 531 V CA -0.591 61.795 62.300 0.144 0.000 0.964 531 V CB 1.126 33.008 31.823 0.098 0.000 1.004 531 V HN 0.570 nan 8.190 nan 0.000 0.466 532 Y N 4.910 125.248 120.300 0.063 0.000 2.323 532 Y HA 0.672 5.222 4.550 -0.000 0.000 0.322 532 Y C -1.726 174.203 175.900 0.048 0.000 1.133 532 Y CA -0.957 57.178 58.100 0.059 0.000 1.093 532 Y CB 1.230 39.715 38.460 0.041 0.000 1.203 532 Y HN 0.487 nan 8.280 nan 0.000 0.427 533 L N 5.888 126.772 121.223 -0.566 0.000 2.325 533 L HA 0.978 5.318 4.340 -0.000 0.000 0.278 533 L C -0.179 176.286 176.870 -0.676 0.000 1.023 533 L CA -0.723 53.850 54.840 -0.444 0.000 0.811 533 L CB 1.650 43.605 42.059 -0.173 0.000 1.249 533 L HN 0.752 nan 8.230 nan 0.000 0.431 534 A N 1.001 123.601 122.820 -0.367 0.000 2.423 534 A HA 0.797 5.117 4.320 -0.000 0.000 0.304 534 A C -1.953 175.617 177.584 -0.023 0.000 1.104 534 A CA -0.518 51.410 52.037 -0.181 0.000 0.757 534 A CB 1.191 20.170 19.000 -0.036 0.000 1.313 534 A HN 0.726 nan 8.150 nan 0.000 0.423 535 W N 0.986 122.225 121.300 -0.103 0.000 2.719 535 W HA 0.691 5.351 4.660 -0.000 0.000 0.352 535 W C -1.675 174.823 176.519 -0.035 0.000 1.085 535 W CA -0.545 56.758 57.345 -0.069 0.000 1.187 535 W CB 1.723 31.145 29.460 -0.065 0.000 1.417 535 W HN 0.567 nan 8.180 nan 0.000 0.557 536 V N 5.372 124.470 119.914 -1.359 0.000 2.817 536 V HA 0.306 4.426 4.120 -0.000 0.000 0.303 536 V C -2.050 173.032 176.094 -1.688 0.000 1.151 536 V CA -1.853 59.709 62.300 -1.229 0.000 0.929 536 V CB 2.909 34.423 31.823 -0.515 0.000 1.030 536 V HN 0.429 nan 8.190 nan 0.000 0.427 537 P HA 0.102 nan 4.420 nan 0.000 0.262 537 P C 0.174 177.347 177.300 -0.211 0.000 1.455 537 P CA 0.340 63.094 63.100 -0.576 0.000 1.217 537 P CB 0.217 31.840 31.700 -0.128 0.000 1.625 538 A N 3.851 126.596 122.820 -0.125 0.000 2.639 538 A HA -0.125 4.195 4.320 -0.000 0.000 0.229 538 A C 1.009 178.708 177.584 0.193 0.000 1.062 538 A CA 0.643 52.703 52.037 0.039 0.000 0.761 538 A CB -0.934 18.177 19.000 0.186 0.000 0.988 538 A HN 0.747 nan 8.150 nan 0.000 0.510 539 H N -0.532 118.528 119.070 -0.018 0.000 2.936 539 H HA -0.218 4.338 4.556 -0.000 0.000 0.276 539 H C 1.202 176.526 175.328 -0.007 0.000 1.216 539 H CA 1.516 57.563 56.048 -0.002 0.000 1.132 539 H CB -1.889 27.882 29.762 0.016 0.000 1.303 539 H HN 1.032 nan 8.280 nan 0.000 0.370 540 K N -0.029 120.397 120.400 0.043 0.000 2.436 540 K HA 0.460 4.780 4.320 -0.000 0.000 0.198 540 K C 1.772 178.372 176.600 -0.001 0.000 1.174 540 K CA 1.420 57.721 56.287 0.023 0.000 0.951 540 K CB 0.580 33.082 32.500 0.003 0.000 1.040 540 K HN 0.761 nan 8.250 nan 0.000 0.536 541 G N 0.006 108.794 108.800 -0.021 0.000 2.201 541 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.212 541 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.212 541 G C 0.095 174.983 174.900 -0.020 0.000 0.994 541 G CA -0.114 44.973 45.100 -0.023 0.000 0.644 541 G HN 0.372 nan 8.290 nan 0.000 0.508 542 I N 2.480 123.038 120.570 -0.021 0.000 2.919 542 I HA 0.344 4.514 4.170 -0.000 0.000 0.303 542 I C 2.104 178.243 176.117 0.036 0.000 1.221 542 I CA 1.659 62.958 61.300 -0.002 0.000 1.444 542 I CB -0.263 37.719 38.000 -0.029 0.000 1.331 542 I HN 0.720 nan 8.210 nan 0.000 0.572 543 G N 4.983 113.812 108.800 0.049 0.000 2.832 543 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.935 543 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.935 543 G C 1.073 175.906 174.900 -0.110 0.000 1.117 543 G CA 0.549 45.660 45.100 0.019 0.000 0.828 543 G HN 1.204 nan 8.290 nan 0.000 0.854 544 G N -0.022 108.463 108.800 -0.525 0.000 3.229 544 G HA2 0.031 3.991 3.960 -0.000 0.000 0.214 544 G HA3 0.031 3.991 3.960 -0.000 0.000 0.214 544 G C 1.145 175.996 174.900 -0.081 0.000 1.256 544 G CA 0.959 45.510 45.100 -0.914 0.000 1.042 544 G HN 0.626 nan 8.290 nan 0.000 0.497 545 N N -0.104 118.662 118.700 0.110 0.000 2.333 545 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 545 N C 1.880 177.392 175.510 0.004 0.000 1.030 545 N CA 0.283 53.401 53.050 0.113 0.000 0.867 545 N CB 0.289 38.811 38.487 0.059 0.000 1.027 545 N HN 0.387 nan 8.380 nan 0.000 0.435 546 E N 0.894 121.074 120.200 -0.033 0.000 2.086 546 E HA -0.289 4.061 4.350 -0.000 0.000 0.200 546 E C 1.844 178.416 176.600 -0.047 0.000 1.012 546 E CA 1.421 57.789 56.400 -0.054 0.000 0.812 546 E CB -0.046 29.623 29.700 -0.052 0.000 0.743 546 E HN 0.280 nan 8.360 nan 0.000 0.453 547 Q N -0.032 119.736 119.800 -0.053 0.000 1.861 547 Q HA -0.230 4.110 4.340 -0.000 0.000 0.242 547 Q C 2.375 178.368 176.000 -0.013 0.000 1.025 547 Q CA 2.385 58.161 55.803 -0.046 0.000 0.886 547 Q CB -0.753 27.938 28.738 -0.079 0.000 0.969 547 Q HN 0.338 nan 8.270 nan 0.000 0.418 548 V N -0.447 119.479 119.914 0.021 0.000 2.546 548 V HA -0.258 3.862 4.120 -0.000 0.000 0.254 548 V C 1.748 177.848 176.094 0.009 0.000 1.076 548 V CA 2.016 64.340 62.300 0.041 0.000 1.087 548 V CB -0.926 30.956 31.823 0.097 0.000 0.674 548 V HN 0.308 nan 8.190 nan 0.000 0.470 549 D N 1.061 121.451 120.400 -0.016 0.000 2.088 549 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 549 D C 2.122 178.397 176.300 -0.041 0.000 0.983 549 D CA 1.851 55.821 54.000 -0.051 0.000 0.846 549 D CB -0.242 40.489 40.800 -0.115 0.000 0.992 549 D HN 0.323 nan 8.370 nan 0.000 0.448 550 K N -0.201 120.174 120.400 -0.042 0.000 2.074 550 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 550 K C 2.077 178.666 176.600 -0.019 0.000 1.048 550 K CA 0.869 57.139 56.287 -0.029 0.000 0.926 550 K CB -0.816 31.668 32.500 -0.028 0.000 0.713 550 K HN 0.198 nan 8.250 nan 0.000 0.444 551 L N -0.341 120.873 121.223 -0.015 0.000 2.127 551 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 551 L C 1.665 178.527 176.870 -0.013 0.000 1.089 551 L CA 1.460 56.293 54.840 -0.012 0.000 0.757 551 L CB 0.005 42.059 42.059 -0.008 0.000 0.899 551 L HN 0.085 nan 8.230 nan 0.000 0.434 552 V N -2.417 117.491 119.914 -0.010 0.000 3.263 552 V HA 0.049 4.169 4.120 -0.000 0.000 0.248 552 V C 1.910 178.005 176.094 0.001 0.000 1.145 552 V CA 1.034 63.331 62.300 -0.005 0.000 1.107 552 V CB 0.093 31.917 31.823 0.002 0.000 0.797 552 V HN 0.370 nan 8.190 nan 0.000 0.467 553 S N 1.565 117.264 115.700 -0.002 0.000 2.720 553 S HA 0.230 4.700 4.470 -0.000 0.000 0.222 553 S C 1.141 175.743 174.600 0.004 0.000 0.958 553 S CA 0.423 58.626 58.200 0.004 0.000 0.943 553 S CB -0.427 62.770 63.200 -0.004 0.000 0.779 553 S HN 0.509 nan 8.310 nan 0.000 0.526 554 A N 1.798 124.617 122.820 -0.001 0.000 2.535 554 A HA 0.476 4.796 4.320 -0.000 0.000 0.290 554 A C 1.309 178.895 177.584 0.003 0.000 1.270 554 A CA 0.275 52.312 52.037 -0.001 0.000 0.937 554 A CB -1.216 17.781 19.000 -0.005 0.000 1.096 554 A HN 1.008 nan 8.150 nan 0.000 0.534 555 G N 1.507 110.310 108.800 0.005 0.000 2.325 555 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.248 555 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.248 555 G C 0.102 175.009 174.900 0.012 0.000 1.108 555 G CA 0.228 45.332 45.100 0.008 0.000 0.881 555 G HN 1.137 nan 8.290 nan 0.000 0.494 556 I N -2.583 117.996 120.570 0.016 0.000 5.201 556 I HA 0.416 4.586 4.170 -0.000 0.000 0.391 556 I C 1.030 177.164 176.117 0.029 0.000 0.965 556 I CA 0.921 62.235 61.300 0.023 0.000 1.614 556 I CB -0.263 37.753 38.000 0.028 0.000 2.546 556 I HN 0.751 nan 8.210 nan 0.000 0.811 557 R N 1.445 121.959 120.500 0.023 0.000 3.132 557 R HA 0.993 5.333 4.340 -0.000 0.000 0.257 557 R C -0.746 175.563 176.300 0.016 0.000 1.203 557 R CA 0.114 56.230 56.100 0.027 0.000 1.008 557 R CB 0.300 30.619 30.300 0.031 0.000 1.378 557 R HN 0.009 nan 8.270 nan 0.000 0.448 558 K N 0.000 120.409 120.400 0.015 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.292 56.287 0.008 0.000 0.838 558 K CB 0.000 32.508 32.500 0.013 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543