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 3lal_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 FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVS 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 0.000 177.357 177.300 0.095 0.000 1.155 1 P CA 0.000 63.141 63.100 0.069 0.000 0.800 1 P CB 0.000 31.730 31.700 0.050 0.000 0.726 2 I N 0.210 120.827 120.570 0.079 0.000 2.439 2 I HA 0.346 4.514 4.170 -0.004 0.000 0.285 2 I C 0.286 176.456 176.117 0.089 0.000 1.021 2 I CA -0.724 60.634 61.300 0.098 0.000 1.091 2 I CB 1.934 39.983 38.000 0.081 0.000 1.242 2 I HN 0.360 nan 8.210 nan 0.000 0.439 3 S N 7.761 123.533 115.700 0.119 0.000 2.558 3 S HA 0.097 4.565 4.470 -0.004 0.000 0.293 3 S C -1.158 173.518 174.600 0.125 0.000 1.292 3 S CA -0.705 57.579 58.200 0.140 0.000 1.063 3 S CB 0.609 63.916 63.200 0.178 0.000 0.831 3 S HN 0.498 nan 8.310 nan 0.000 0.499 4 P HA 0.076 nan 4.420 nan 0.000 0.242 4 P C 0.636 178.067 177.300 0.218 0.000 1.197 4 P CA 0.093 63.235 63.100 0.071 0.000 0.765 4 P CB -0.190 31.438 31.700 -0.120 0.000 0.936 5 I N 1.475 122.260 120.570 0.357 0.000 2.710 5 I HA -0.015 4.153 4.170 -0.004 0.000 0.286 5 I C 0.986 177.205 176.117 0.169 0.000 1.181 5 I CA -0.481 61.020 61.300 0.334 0.000 1.430 5 I CB 0.577 38.681 38.000 0.173 0.000 1.367 5 I HN -0.016 nan 8.210 nan 0.000 0.577 6 E N 5.392 125.674 120.200 0.137 0.000 2.436 6 E HA 0.037 4.385 4.350 -0.004 0.000 0.262 6 E C -0.478 176.164 176.600 0.070 0.000 1.063 6 E CA -0.417 56.037 56.400 0.091 0.000 0.944 6 E CB 0.512 30.256 29.700 0.075 0.000 0.950 6 E HN 0.667 nan 8.360 nan 0.000 0.444 7 T N -0.321 114.274 114.554 0.067 0.000 2.849 7 T HA 0.302 4.649 4.350 -0.004 0.000 0.284 7 T C 0.180 174.916 174.700 0.060 0.000 1.004 7 T CA -0.981 61.158 62.100 0.066 0.000 1.021 7 T CB 1.215 70.127 68.868 0.074 0.000 1.013 7 T HN 0.319 nan 8.240 nan 0.000 0.527 8 V N 4.398 124.351 119.914 0.065 0.000 2.406 8 V HA 0.335 4.452 4.120 -0.004 0.000 0.272 8 V C -1.816 174.331 176.094 0.089 0.000 1.043 8 V CA -1.826 60.518 62.300 0.073 0.000 0.915 8 V CB 0.627 32.498 31.823 0.080 0.000 0.988 8 V HN 0.852 nan 8.190 nan 0.000 0.466 9 P HA 0.182 nan 4.420 nan 0.000 0.267 9 P C -0.760 176.585 177.300 0.076 0.000 1.209 9 P CA 0.233 63.380 63.100 0.079 0.000 0.763 9 P CB 1.085 32.822 31.700 0.062 0.000 0.816 10 V N 4.410 124.364 119.914 0.067 0.000 2.914 10 V HA 0.641 4.758 4.120 -0.004 0.000 0.314 10 V C 0.297 176.416 176.094 0.042 0.000 1.084 10 V CA -0.595 61.692 62.300 -0.021 0.000 0.963 10 V CB 2.116 33.790 31.823 -0.248 0.000 1.025 10 V HN 0.686 nan 8.190 nan 0.000 0.432 11 K N 2.446 122.845 120.400 -0.001 0.000 2.555 11 K HA 0.755 5.073 4.320 -0.004 0.000 0.279 11 K C -1.620 175.037 176.600 0.095 0.000 0.986 11 K CA -1.021 55.347 56.287 0.135 0.000 0.880 11 K CB 1.853 34.399 32.500 0.076 0.000 1.474 11 K HN 0.400 nan 8.250 nan 0.000 0.433 12 L N 1.381 122.661 121.223 0.095 0.000 2.468 12 L HA 0.336 4.674 4.340 -0.004 0.000 0.254 12 L C 0.303 177.159 176.870 -0.022 0.000 1.171 12 L CA -0.908 53.941 54.840 0.014 0.000 0.809 12 L CB 0.413 42.390 42.059 -0.137 0.000 1.155 12 L HN 0.545 nan 8.230 nan 0.000 0.473 13 K N 1.785 122.167 120.400 -0.030 0.000 2.469 13 K HA 0.013 4.331 4.320 -0.004 0.000 0.274 13 K C -1.472 175.114 176.600 -0.022 0.000 0.983 13 K CA -1.043 55.224 56.287 -0.034 0.000 0.974 13 K CB 0.349 32.833 32.500 -0.026 0.000 0.913 13 K HN 0.377 nan 8.250 nan 0.000 0.493 14 P HA -0.175 nan 4.420 nan 0.000 0.216 14 P C 1.107 178.408 177.300 0.002 0.000 1.150 14 P CA 1.435 64.531 63.100 -0.006 0.000 0.837 14 P CB 0.054 31.750 31.700 -0.008 0.000 0.786 15 G N -1.303 107.498 108.800 0.001 0.000 2.650 15 G HA2 0.038 3.995 3.960 -0.004 0.000 0.214 15 G HA3 0.038 3.995 3.960 -0.004 0.000 0.214 15 G C 0.863 175.770 174.900 0.012 0.000 1.136 15 G CA 0.206 45.311 45.100 0.008 0.000 0.789 15 G HN 0.233 nan 8.290 nan 0.000 0.536 16 M N -0.443 119.159 119.600 0.004 0.000 2.811 16 M HA 0.505 4.983 4.480 -0.004 0.000 0.303 16 M C -1.211 175.085 176.300 -0.006 0.000 1.227 16 M CA -0.840 54.461 55.300 0.001 0.000 0.874 16 M CB 1.867 34.461 32.600 -0.010 0.000 1.681 16 M HN -0.134 nan 8.290 nan 0.000 0.500 17 D N -0.487 119.914 120.400 0.002 0.000 2.523 17 D HA 0.558 5.195 4.640 -0.004 0.000 0.236 17 D C -0.558 175.707 176.300 -0.059 0.000 1.094 17 D CA -0.139 53.867 54.000 0.010 0.000 0.942 17 D CB 1.934 42.817 40.800 0.139 0.000 1.447 17 D HN 0.703 nan 8.370 nan 0.000 0.479 18 G N 0.783 109.459 108.800 -0.207 0.000 2.664 18 G HA2 0.367 4.325 3.960 -0.004 0.000 0.242 18 G HA3 0.367 4.325 3.960 -0.004 0.000 0.242 18 G C -2.199 172.750 174.900 0.082 0.000 1.225 18 G CA -0.751 44.126 45.100 -0.372 0.000 0.849 18 G HN 0.435 nan 8.290 nan 0.000 0.581 19 P HA 0.242 nan 4.420 nan 0.000 0.274 19 P C -0.694 176.797 177.300 0.320 0.000 1.231 19 P CA -0.144 63.077 63.100 0.202 0.000 0.790 19 P CB 1.119 32.929 31.700 0.182 0.000 0.951 20 K N 0.907 121.443 120.400 0.228 0.000 3.165 20 K HA 0.244 4.562 4.320 -0.004 0.000 0.206 20 K C -0.289 176.392 176.600 0.134 0.000 1.123 20 K CA -0.431 55.968 56.287 0.187 0.000 0.978 20 K CB 0.795 33.377 32.500 0.137 0.000 0.749 20 K HN 0.186 nan 8.250 nan 0.000 0.454 21 V N 1.558 121.557 119.914 0.141 0.000 2.963 21 V HA 0.032 4.150 4.120 -0.004 0.000 0.306 21 V C 0.692 176.857 176.094 0.118 0.000 1.077 21 V CA 0.025 62.396 62.300 0.118 0.000 1.124 21 V CB 0.781 32.672 31.823 0.114 0.000 0.987 21 V HN 0.264 nan 8.190 nan 0.000 0.487 22 K N 1.706 122.174 120.400 0.115 0.000 2.143 22 K HA 0.327 4.644 4.320 -0.004 0.000 0.272 22 K C -0.242 176.448 176.600 0.150 0.000 1.001 22 K CA -0.656 55.701 56.287 0.116 0.000 0.915 22 K CB 1.067 33.634 32.500 0.112 0.000 1.047 22 K HN 0.656 nan 8.250 nan 0.000 0.458 23 Q N 3.686 123.571 119.800 0.141 0.000 2.286 23 Q HA -0.021 4.317 4.340 -0.004 0.000 0.267 23 Q C -1.142 174.986 176.000 0.214 0.000 1.028 23 Q CA -0.010 55.897 55.803 0.174 0.000 0.901 23 Q CB 0.444 29.264 28.738 0.137 0.000 1.183 23 Q HN 0.522 nan 8.270 nan 0.000 0.392 24 W N 8.014 129.354 121.300 0.067 0.000 2.210 24 W HA 0.189 4.847 4.660 -0.004 0.000 0.330 24 W C -2.248 174.321 176.519 0.083 0.000 1.334 24 W CA -1.765 55.621 57.345 0.068 0.000 1.227 24 W CB 0.794 30.295 29.460 0.069 0.000 1.178 24 W HN 0.569 nan 8.180 nan 0.000 0.560 25 P HA 0.139 nan 4.420 nan 0.000 0.271 25 P C -0.911 176.250 177.300 -0.231 0.000 1.218 25 P CA 0.390 63.274 63.100 -0.359 0.000 0.780 25 P CB 1.244 32.669 31.700 -0.459 0.000 0.901 26 L N 1.363 122.555 121.223 -0.051 0.000 2.323 26 L HA 0.456 4.794 4.340 -0.004 0.000 0.265 26 L C 1.358 178.216 176.870 -0.019 0.000 1.012 26 L CA -0.890 53.974 54.840 0.041 0.000 0.820 26 L CB 1.870 43.961 42.059 0.054 0.000 1.334 26 L HN 0.381 nan 8.230 nan 0.000 0.427 27 T N -2.978 111.572 114.554 -0.007 0.000 2.680 27 T HA 0.044 4.392 4.350 -0.004 0.000 0.314 27 T C 0.785 175.440 174.700 -0.075 0.000 1.045 27 T CA -0.167 61.916 62.100 -0.029 0.000 1.025 27 T CB 0.821 69.687 68.868 -0.005 0.000 1.000 27 T HN 0.685 nan 8.240 nan 0.000 0.535 28 E N 0.258 120.418 120.200 -0.066 0.000 2.076 28 E HA -0.094 4.254 4.350 -0.004 0.000 0.190 28 E C 2.335 178.854 176.600 -0.135 0.000 0.979 28 E CA 1.101 57.452 56.400 -0.083 0.000 0.807 28 E CB -0.024 29.644 29.700 -0.052 0.000 0.761 28 E HN 0.931 nan 8.360 nan 0.000 0.454 29 E N 1.128 121.243 120.200 -0.141 0.000 2.153 29 E HA -0.220 4.127 4.350 -0.004 0.000 0.194 29 E C 1.762 178.034 176.600 -0.546 0.000 0.988 29 E CA 1.021 57.279 56.400 -0.238 0.000 0.811 29 E CB -0.086 29.566 29.700 -0.081 0.000 0.746 29 E HN 0.055 nan 8.360 nan 0.000 0.466 30 K N 0.613 120.724 120.400 -0.482 0.000 2.031 30 K HA 0.005 4.322 4.320 -0.004 0.000 0.205 30 K C 2.249 178.611 176.600 -0.396 0.000 1.049 30 K CA 1.261 57.194 56.287 -0.589 0.000 0.939 30 K CB -0.093 32.175 32.500 -0.386 0.000 0.717 30 K HN 0.164 nan 8.250 nan 0.000 0.438 31 I N 1.396 121.823 120.570 -0.238 0.000 2.208 31 I HA -0.328 3.840 4.170 -0.004 0.000 0.245 31 I C 2.542 178.560 176.117 -0.165 0.000 1.097 31 I CA 1.287 62.499 61.300 -0.148 0.000 1.363 31 I CB -0.269 37.676 38.000 -0.093 0.000 1.051 31 I HN 0.199 nan 8.210 nan 0.000 0.413 32 K N 1.408 121.680 120.400 -0.213 0.000 2.002 32 K HA -0.194 4.123 4.320 -0.004 0.000 0.209 32 K C 2.252 178.709 176.600 -0.239 0.000 1.048 32 K CA 1.633 57.806 56.287 -0.190 0.000 0.930 32 K CB -0.143 32.246 32.500 -0.184 0.000 0.714 32 K HN 0.270 nan 8.250 nan 0.000 0.438 33 A N 1.335 123.891 122.820 -0.440 0.000 1.902 33 A HA -0.128 4.190 4.320 -0.004 0.000 0.217 33 A C 2.149 179.592 177.584 -0.234 0.000 1.181 33 A CA 1.285 53.037 52.037 -0.476 0.000 0.623 33 A CB -0.621 17.714 19.000 -1.109 0.000 0.818 33 A HN 0.350 nan 8.150 nan 0.000 0.443 34 L N -0.521 120.575 121.223 -0.211 0.000 2.046 34 L HA -0.157 4.181 4.340 -0.004 0.000 0.208 34 L C 2.529 179.382 176.870 -0.028 0.000 1.077 34 L CA 1.101 55.892 54.840 -0.083 0.000 0.747 34 L CB -0.465 41.566 42.059 -0.046 0.000 0.896 34 L HN 0.270 nan 8.230 nan 0.000 0.432 35 V N -0.224 119.670 119.914 -0.033 0.000 2.427 35 V HA -0.263 3.855 4.120 -0.004 0.000 0.248 35 V C 2.289 178.381 176.094 -0.004 0.000 1.051 35 V CA 1.693 63.999 62.300 0.011 0.000 1.048 35 V CB -0.433 31.390 31.823 0.001 0.000 0.666 35 V HN 0.457 nan 8.190 nan 0.000 0.456 36 E N -0.029 120.152 120.200 -0.032 0.000 2.072 36 E HA -0.169 4.179 4.350 -0.004 0.000 0.191 36 E C 2.173 178.769 176.600 -0.007 0.000 0.985 36 E CA 1.433 57.824 56.400 -0.016 0.000 0.801 36 E CB -0.186 29.501 29.700 -0.021 0.000 0.750 36 E HN 0.554 nan 8.360 nan 0.000 0.452 37 I N 0.539 121.102 120.570 -0.011 0.000 2.179 37 I HA -0.311 3.857 4.170 -0.004 0.000 0.242 37 I C 2.361 178.452 176.117 -0.044 0.000 1.088 37 I CA 0.707 62.007 61.300 0.000 0.000 1.357 37 I CB -0.223 37.788 38.000 0.019 0.000 1.051 37 I HN 0.245 nan 8.210 nan 0.000 0.409 38 C N 0.199 119.444 119.300 -0.093 0.000 2.435 38 C HA -0.121 4.336 4.460 -0.004 0.000 0.279 38 C C 2.999 177.847 174.990 -0.238 0.000 1.321 38 C CA 1.355 60.206 59.018 -0.277 0.000 1.752 38 C CB -1.083 26.406 27.740 -0.418 0.000 1.959 38 C HN 0.514 nan 8.230 nan 0.000 0.500 39 T N 0.297 114.814 114.554 -0.063 0.000 2.777 39 T HA -0.151 4.196 4.350 -0.004 0.000 0.266 39 T C 1.727 176.420 174.700 -0.012 0.000 1.040 39 T CA 1.607 63.711 62.100 0.007 0.000 1.141 39 T CB -0.211 68.677 68.868 0.033 0.000 0.868 39 T HN 0.520 nan 8.240 nan 0.000 0.444 40 E N 1.308 121.498 120.200 -0.016 0.000 2.031 40 E HA -0.031 4.317 4.350 -0.004 0.000 0.193 40 E C 2.159 178.751 176.600 -0.013 0.000 0.994 40 E CA 1.296 57.696 56.400 -0.001 0.000 0.800 40 E CB -0.367 29.343 29.700 0.016 0.000 0.752 40 E HN 0.440 nan 8.360 nan 0.000 0.447 41 M N 0.224 119.798 119.600 -0.043 0.000 2.082 41 M HA -0.213 4.265 4.480 -0.004 0.000 0.258 41 M C 2.382 178.620 176.300 -0.104 0.000 1.069 41 M CA 2.015 57.268 55.300 -0.078 0.000 1.102 41 M CB -0.392 32.114 32.600 -0.156 0.000 1.336 41 M HN 0.192 nan 8.290 nan 0.000 0.404 42 E N 0.706 120.836 120.200 -0.116 0.000 2.153 42 E HA -0.207 4.141 4.350 -0.004 0.000 0.194 42 E C 1.593 178.187 176.600 -0.011 0.000 0.988 42 E CA 1.172 57.541 56.400 -0.051 0.000 0.811 42 E CB 0.107 29.841 29.700 0.057 0.000 0.746 42 E HN 0.472 nan 8.360 nan 0.000 0.466 43 K N -0.031 120.365 120.400 -0.006 0.000 2.418 43 K HA -0.013 4.305 4.320 -0.004 0.000 0.195 43 K C 1.316 177.919 176.600 0.005 0.000 1.035 43 K CA 0.640 56.930 56.287 0.005 0.000 1.003 43 K CB 0.267 32.774 32.500 0.010 0.000 0.793 43 K HN 0.174 nan 8.250 nan 0.000 0.494 44 E N -0.549 119.652 120.200 0.001 0.000 2.474 44 E HA 0.063 4.411 4.350 -0.004 0.000 0.195 44 E C 0.828 177.430 176.600 0.003 0.000 1.039 44 E CA 0.390 56.798 56.400 0.013 0.000 0.881 44 E CB 0.783 30.503 29.700 0.032 0.000 0.970 44 E HN 0.413 nan 8.360 nan 0.000 0.486 45 G N 2.119 110.910 108.800 -0.015 0.000 2.195 45 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.246 45 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.246 45 G C 1.168 176.037 174.900 -0.053 0.000 0.984 45 G CA 0.465 45.553 45.100 -0.019 0.000 0.633 45 G HN 0.049 nan 8.290 nan 0.000 0.525 46 K N 0.373 120.714 120.400 -0.098 0.000 2.063 46 K HA 0.078 4.396 4.320 -0.004 0.000 0.208 46 K C 1.668 178.109 176.600 -0.265 0.000 1.048 46 K CA 1.853 58.017 56.287 -0.204 0.000 0.928 46 K CB -0.410 31.886 32.500 -0.340 0.000 0.713 46 K HN 0.987 nan 8.250 nan 0.000 0.442 47 I N -3.704 116.714 120.570 -0.253 0.000 3.042 47 I HA 0.426 4.593 4.170 -0.004 0.000 0.310 47 I C -0.859 175.231 176.117 -0.044 0.000 1.117 47 I CA -0.907 60.248 61.300 -0.243 0.000 1.003 47 I CB 2.621 40.365 38.000 -0.428 0.000 1.228 47 I HN -0.341 nan 8.210 nan 0.000 0.443 48 S N 1.939 117.660 115.700 0.036 0.000 2.521 48 S HA 0.421 4.888 4.470 -0.004 0.000 0.295 48 S C -0.642 173.993 174.600 0.058 0.000 1.098 48 S CA -0.852 57.391 58.200 0.072 0.000 0.999 48 S CB 1.724 64.921 63.200 -0.005 0.000 1.034 48 S HN 0.492 nan 8.310 nan 0.000 0.483 49 K N 2.528 122.879 120.400 -0.081 0.000 2.484 49 K HA 0.211 4.529 4.320 -0.004 0.000 0.280 49 K C 0.017 176.470 176.600 -0.244 0.000 1.013 49 K CA 0.405 56.456 56.287 -0.393 0.000 1.029 49 K CB -0.013 32.276 32.500 -0.351 0.000 0.902 49 K HN 0.592 nan 8.250 nan 0.000 0.481 50 I N -1.776 118.628 120.570 -0.278 0.000 3.239 50 I HA 0.758 4.926 4.170 -0.004 0.000 0.314 50 I C -0.083 175.924 176.117 -0.184 0.000 1.126 50 I CA -1.130 60.060 61.300 -0.183 0.000 0.973 50 I CB 2.376 40.290 38.000 -0.143 0.000 1.252 50 I HN 0.516 nan 8.210 nan 0.000 0.463 51 G N 0.850 109.570 108.800 -0.134 0.000 2.619 51 G HA2 0.699 4.656 3.960 -0.004 0.000 0.296 51 G HA3 0.699 4.656 3.960 -0.004 0.000 0.296 51 G C -3.024 171.818 174.900 -0.096 0.000 1.334 51 G CA -1.558 43.471 45.100 -0.119 0.000 0.934 51 G HN 0.546 nan 8.290 nan 0.000 0.476 52 P HA 0.078 nan 4.420 nan 0.000 0.264 52 P C 0.246 177.502 177.300 -0.074 0.000 1.183 52 P CA 0.265 63.316 63.100 -0.081 0.000 0.763 52 P CB 1.382 33.036 31.700 -0.075 0.000 0.807 53 E N 0.962 121.119 120.200 -0.072 0.000 2.208 53 E HA -0.104 4.244 4.350 -0.004 0.000 0.193 53 E C 0.958 177.494 176.600 -0.106 0.000 0.988 53 E CA 0.136 56.488 56.400 -0.080 0.000 0.828 53 E CB -0.168 29.491 29.700 -0.068 0.000 0.763 53 E HN 0.471 nan 8.360 nan 0.000 0.478 54 N N 2.442 121.083 118.700 -0.098 0.000 2.347 54 N HA -0.067 4.671 4.740 -0.004 0.000 0.278 54 N C -1.612 173.799 175.510 -0.166 0.000 1.367 54 N CA -0.480 52.505 53.050 -0.107 0.000 0.898 54 N CB 0.845 39.303 38.487 -0.049 0.000 1.203 54 N HN 0.013 nan 8.380 nan 0.000 0.491 55 P HA -0.017 nan 4.420 nan 0.000 0.236 55 P C -0.390 176.697 177.300 -0.356 0.000 1.177 55 P CA 0.655 63.511 63.100 -0.407 0.000 0.773 55 P CB 0.123 31.491 31.700 -0.552 0.000 0.878 56 Y N 0.759 121.079 120.300 0.033 0.000 2.316 56 Y HA 0.496 5.044 4.550 -0.004 0.000 0.324 56 Y C 0.992 176.938 175.900 0.076 0.000 1.267 56 Y CA -0.422 57.722 58.100 0.073 0.000 1.311 56 Y CB 0.326 38.850 38.460 0.107 0.000 1.267 56 Y HN -0.126 nan 8.280 nan 0.000 0.516 57 N N -1.119 117.748 118.700 0.277 0.000 2.504 57 N HA 0.512 5.250 4.740 -0.004 0.000 0.268 57 N C -1.968 173.678 175.510 0.227 0.000 1.184 57 N CA -0.493 52.689 53.050 0.220 0.000 0.875 57 N CB 1.806 40.385 38.487 0.155 0.000 1.630 57 N HN 0.558 nan 8.380 nan 0.000 0.486 58 T N 2.730 117.425 114.554 0.235 0.000 2.928 58 T HA 0.507 4.855 4.350 -0.004 0.000 0.296 58 T C -2.839 171.934 174.700 0.122 0.000 1.000 58 T CA -0.897 61.300 62.100 0.160 0.000 0.989 58 T CB 1.965 70.907 68.868 0.123 0.000 1.005 58 T HN 0.369 nan 8.240 nan 0.000 0.442 59 P HA 0.220 nan 4.420 nan 0.000 0.268 59 P C -0.513 176.812 177.300 0.042 0.000 1.205 59 P CA -0.283 62.877 63.100 0.099 0.000 0.771 59 P CB 0.521 32.274 31.700 0.089 0.000 0.858 60 V N 0.461 120.444 119.914 0.115 0.000 2.815 60 V HA 0.738 4.855 4.120 -0.004 0.000 0.314 60 V C -0.662 175.579 176.094 0.245 0.000 1.064 60 V CA -0.806 61.537 62.300 0.071 0.000 0.952 60 V CB 1.751 33.588 31.823 0.023 0.000 1.020 60 V HN 0.398 nan 8.190 nan 0.000 0.439 61 F N 1.233 121.179 119.950 -0.006 0.000 2.629 61 F HA 0.915 5.440 4.527 -0.004 0.000 0.316 61 F C -0.157 175.675 175.800 0.053 0.000 1.081 61 F CA -0.457 57.569 58.000 0.043 0.000 0.954 61 F CB 2.168 41.194 39.000 0.043 0.000 1.337 61 F HN 0.965 nan 8.300 nan 0.000 0.474 62 A N 3.998 126.571 122.820 -0.412 0.000 2.356 62 A HA 0.802 5.120 4.320 -0.004 0.000 0.310 62 A C -1.728 175.845 177.584 -0.018 0.000 1.075 62 A CA -0.531 51.436 52.037 -0.117 0.000 0.746 62 A CB 0.908 19.809 19.000 -0.164 0.000 1.221 62 A HN 0.486 nan 8.150 nan 0.000 0.443 63 I N 0.827 121.522 120.570 0.208 0.000 2.750 63 I HA 0.455 4.623 4.170 -0.004 0.000 0.308 63 I C -0.049 176.085 176.117 0.028 0.000 1.016 63 I CA -0.931 60.464 61.300 0.157 0.000 1.098 63 I CB 2.020 40.097 38.000 0.129 0.000 1.279 63 I HN 0.671 nan 8.210 nan 0.000 0.454 64 K N 3.428 123.665 120.400 -0.271 0.000 2.263 64 K HA 0.146 4.463 4.320 -0.004 0.000 0.282 64 K C -0.302 176.105 176.600 -0.321 0.000 1.089 64 K CA -0.537 55.373 56.287 -0.628 0.000 0.907 64 K CB 0.197 32.242 32.500 -0.758 0.000 1.148 64 K HN 0.313 nan 8.250 nan 0.000 0.470 65 K N 5.023 125.266 120.400 -0.263 0.000 2.366 65 K HA -0.069 4.249 4.320 -0.004 0.000 0.279 65 K C -0.161 176.361 176.600 -0.131 0.000 1.098 65 K CA 0.818 57.020 56.287 -0.141 0.000 1.087 65 K CB -0.316 32.124 32.500 -0.100 0.000 0.901 65 K HN 0.774 nan 8.250 nan 0.000 0.463 66 K N 2.248 122.590 120.400 -0.096 0.000 1.721 66 K HA -0.378 3.940 4.320 -0.004 0.000 0.121 66 K C 0.460 177.002 176.600 -0.097 0.000 1.152 66 K CA 1.990 58.229 56.287 -0.080 0.000 0.360 66 K CB -1.553 30.910 32.500 -0.062 0.000 0.626 66 K HN 0.557 nan 8.250 nan 0.000 0.878 67 D N 0.027 120.376 120.400 -0.085 0.000 2.388 67 D HA 0.178 4.816 4.640 -0.004 0.000 0.208 67 D C 0.365 176.603 176.300 -0.103 0.000 1.035 67 D CA 0.663 54.611 54.000 -0.086 0.000 0.875 67 D CB 0.519 41.283 40.800 -0.060 0.000 0.984 67 D HN 0.540 nan 8.370 nan 0.000 0.508 68 S N -0.909 114.729 115.700 -0.102 0.000 2.587 68 S HA 0.016 4.483 4.470 -0.004 0.000 0.260 68 S C 1.220 175.727 174.600 -0.155 0.000 1.353 68 S CA 0.427 58.566 58.200 -0.102 0.000 0.995 68 S CB 0.787 63.939 63.200 -0.081 0.000 0.912 68 S HN 0.305 nan 8.310 nan 0.000 0.568 69 T N -0.083 114.396 114.554 -0.126 0.000 3.278 69 T HA 0.302 4.649 4.350 -0.004 0.000 0.251 69 T C 0.130 174.735 174.700 -0.160 0.000 1.039 69 T CA -0.361 61.647 62.100 -0.154 0.000 0.935 69 T CB -0.264 68.569 68.868 -0.058 0.000 1.034 69 T HN 0.465 nan 8.240 nan 0.000 0.575 70 K N 0.843 121.144 120.400 -0.166 0.000 2.174 70 K HA 0.480 4.798 4.320 -0.004 0.000 0.275 70 K C -1.235 175.249 176.600 -0.193 0.000 1.015 70 K CA -0.700 55.536 56.287 -0.085 0.000 0.933 70 K CB 0.658 33.133 32.500 -0.042 0.000 1.025 70 K HN 0.362 nan 8.250 nan 0.000 0.463 71 W N 2.725 124.016 121.300 -0.015 0.000 2.570 71 W HA 0.503 5.161 4.660 -0.004 0.000 0.337 71 W C 0.003 176.513 176.519 -0.016 0.000 1.067 71 W CA -0.646 56.685 57.345 -0.023 0.000 1.229 71 W CB 1.384 30.825 29.460 -0.032 0.000 1.355 71 W HN 0.258 nan 8.180 nan 0.000 0.555 72 R N 1.692 122.340 120.500 0.248 0.000 2.686 72 R HA 0.309 4.647 4.340 -0.004 0.000 0.286 72 R C -0.773 175.615 176.300 0.147 0.000 0.969 72 R CA -1.366 54.825 56.100 0.152 0.000 0.898 72 R CB 2.281 32.633 30.300 0.087 0.000 1.183 72 R HN 0.365 nan 8.270 nan 0.000 0.456 73 K N 3.630 124.096 120.400 0.109 0.000 2.310 73 K HA 0.220 4.538 4.320 -0.004 0.000 0.290 73 K C -0.748 175.899 176.600 0.078 0.000 1.077 73 K CA -0.172 56.160 56.287 0.074 0.000 0.922 73 K CB 0.485 33.014 32.500 0.048 0.000 1.057 73 K HN 0.448 nan 8.250 nan 0.000 0.479 74 L N 5.782 127.058 121.223 0.088 0.000 2.282 74 L HA 0.392 4.729 4.340 -0.004 0.000 0.288 74 L C -1.128 175.748 176.870 0.010 0.000 1.033 74 L CA -0.930 53.962 54.840 0.086 0.000 0.807 74 L CB 1.531 43.685 42.059 0.159 0.000 1.209 74 L HN 0.425 nan 8.230 nan 0.000 0.423 75 V N 3.589 123.452 119.914 -0.086 0.000 2.417 75 V HA 0.188 4.306 4.120 -0.004 0.000 0.291 75 V C -0.531 175.374 176.094 -0.315 0.000 1.024 75 V CA -0.650 61.471 62.300 -0.300 0.000 0.861 75 V CB 1.910 33.378 31.823 -0.591 0.000 0.985 75 V HN 0.683 nan 8.190 nan 0.000 0.436 76 D N 3.258 123.500 120.400 -0.263 0.000 2.393 76 D HA 0.292 4.929 4.640 -0.004 0.000 0.232 76 D C 0.169 176.389 176.300 -0.133 0.000 1.192 76 D CA -0.067 53.852 54.000 -0.135 0.000 0.882 76 D CB 0.435 41.187 40.800 -0.079 0.000 1.038 76 D HN 0.368 nan 8.370 nan 0.000 0.499 77 F N 2.431 122.433 119.950 0.088 0.000 2.693 77 F HA 0.270 4.795 4.527 -0.004 0.000 0.303 77 F C 2.056 177.929 175.800 0.121 0.000 1.097 77 F CA -0.341 57.737 58.000 0.130 0.000 1.330 77 F CB -0.080 39.034 39.000 0.190 0.000 1.067 77 F HN 0.309 nan 8.300 nan 0.000 0.565 78 R N 0.706 121.338 120.500 0.219 0.000 2.189 78 R HA -0.245 4.093 4.340 -0.004 0.000 0.252 78 R C 2.180 178.571 176.300 0.153 0.000 1.134 78 R CA 2.181 58.367 56.100 0.145 0.000 0.954 78 R CB -0.316 30.030 30.300 0.077 0.000 0.890 78 R HN 0.101 nan 8.270 nan 0.000 0.443 79 E N -0.377 119.920 120.200 0.162 0.000 2.072 79 E HA -0.117 4.231 4.350 -0.004 0.000 0.190 79 E C 1.926 178.631 176.600 0.175 0.000 0.982 79 E CA 0.734 57.221 56.400 0.145 0.000 0.803 79 E CB -0.342 29.437 29.700 0.131 0.000 0.755 79 E HN 0.187 nan 8.360 nan 0.000 0.453 80 L N 1.962 123.342 121.223 0.261 0.000 2.083 80 L HA -0.135 4.203 4.340 -0.004 0.000 0.209 80 L C 1.553 178.599 176.870 0.293 0.000 1.083 80 L CA 1.601 56.609 54.840 0.278 0.000 0.752 80 L CB -0.655 41.635 42.059 0.386 0.000 0.899 80 L HN -0.013 nan 8.230 nan 0.000 0.433 81 N N 0.170 119.040 118.700 0.284 0.000 2.120 81 N HA -0.190 4.548 4.740 -0.004 0.000 0.188 81 N C 1.754 177.326 175.510 0.104 0.000 1.024 81 N CA 1.423 54.577 53.050 0.174 0.000 0.852 81 N CB -0.228 38.337 38.487 0.130 0.000 1.003 81 N HN 0.426 nan 8.380 nan 0.000 0.424 82 K N 0.408 120.867 120.400 0.098 0.000 2.209 82 K HA 0.002 4.320 4.320 -0.004 0.000 0.204 82 K C 1.529 178.161 176.600 0.053 0.000 1.048 82 K CA 0.888 57.211 56.287 0.060 0.000 0.940 82 K CB 0.072 32.606 32.500 0.057 0.000 0.729 82 K HN 0.204 nan 8.250 nan 0.000 0.451 83 R N -0.182 120.363 120.500 0.075 0.000 2.334 83 R HA 0.093 4.431 4.340 -0.004 0.000 0.212 83 R C 0.156 176.492 176.300 0.061 0.000 0.897 83 R CA 0.113 56.241 56.100 0.046 0.000 1.056 83 R CB 0.661 30.974 30.300 0.022 0.000 1.046 83 R HN -0.049 nan 8.270 nan 0.000 0.513 84 T N 2.496 117.125 114.554 0.124 0.000 2.897 84 T HA 0.061 4.409 4.350 -0.004 0.000 0.294 84 T C 0.090 174.784 174.700 -0.010 0.000 1.004 84 T CA -0.519 61.676 62.100 0.159 0.000 1.106 84 T CB 1.309 70.363 68.868 0.310 0.000 0.949 84 T HN 0.227 nan 8.240 nan 0.000 0.520 85 Q N 2.334 122.064 119.800 -0.117 0.000 2.469 85 Q HA 0.066 4.404 4.340 -0.004 0.000 0.279 85 Q C -0.689 175.068 176.000 -0.404 0.000 1.097 85 Q CA -0.233 55.404 55.803 -0.277 0.000 0.951 85 Q CB 0.387 28.887 28.738 -0.397 0.000 1.297 85 Q HN 0.423 nan 8.270 nan 0.000 0.465 86 D N 0.986 121.201 120.400 -0.309 0.000 2.362 86 D HA 0.237 4.875 4.640 -0.004 0.000 0.242 86 D C -0.723 175.311 176.300 -0.444 0.000 1.132 86 D CA 0.232 54.092 54.000 -0.233 0.000 0.907 86 D CB 0.421 41.165 40.800 -0.094 0.000 1.195 86 D HN 0.366 nan 8.370 nan 0.000 0.429 87 F N -0.137 119.765 119.950 -0.079 0.000 2.594 87 F HA 0.299 4.824 4.527 -0.004 0.000 0.335 87 F C 0.587 176.428 175.800 0.069 0.000 1.058 87 F CA -1.170 56.810 58.000 -0.033 0.000 0.981 87 F CB 1.032 39.960 39.000 -0.119 0.000 1.289 87 F HN 0.259 nan 8.300 nan 0.000 0.490 88 W N 1.650 123.016 121.300 0.110 0.000 2.170 88 W HA 0.148 4.805 4.660 -0.004 0.000 0.336 88 W C -0.006 176.536 176.519 0.039 0.000 1.283 88 W CA -0.502 56.870 57.345 0.045 0.000 1.224 88 W CB 0.766 30.243 29.460 0.027 0.000 1.132 88 W HN 0.435 nan 8.180 nan 0.000 0.571 89 E N 2.119 121.707 120.200 -1.020 0.000 2.558 89 E HA -0.070 4.278 4.350 -0.004 0.000 0.255 89 E C 0.955 177.243 176.600 -0.521 0.000 0.968 89 E CA 0.198 56.118 56.400 -0.799 0.000 0.939 89 E CB 1.012 30.113 29.700 -0.998 0.000 0.921 89 E HN 0.325 nan 8.360 nan 0.000 0.477 90 V N 3.109 122.864 119.914 -0.265 0.000 2.215 90 V HA -0.239 3.879 4.120 -0.004 0.000 0.249 90 V C 0.923 176.956 176.094 -0.101 0.000 1.054 90 V CA 2.176 64.392 62.300 -0.140 0.000 1.012 90 V CB -0.516 31.237 31.823 -0.117 0.000 0.639 90 V HN 0.719 nan 8.190 nan 0.000 0.448 91 Q N -0.916 118.822 119.800 -0.102 0.000 2.309 91 Q HA 0.462 4.800 4.340 -0.004 0.000 0.254 91 Q C -1.525 174.451 176.000 -0.040 0.000 0.938 91 Q CA -0.050 55.732 55.803 -0.034 0.000 0.789 91 Q CB 1.305 30.061 28.738 0.030 0.000 1.313 91 Q HN 0.473 nan 8.270 nan 0.000 0.438 92 L N 3.892 125.085 121.223 -0.050 0.000 2.270 92 L HA 0.873 5.210 4.340 -0.004 0.000 0.286 92 L C 0.312 177.195 176.870 0.022 0.000 1.059 92 L CA 0.047 54.861 54.840 -0.043 0.000 0.839 92 L CB 0.953 42.960 42.059 -0.087 0.000 1.221 92 L HN 0.887 nan 8.230 nan 0.000 0.431 93 G N 3.982 112.812 108.800 0.049 0.000 2.784 93 G HA2 -0.068 3.890 3.960 -0.004 0.000 0.686 93 G HA3 -0.068 3.890 3.960 -0.004 0.000 0.686 93 G C -1.135 173.848 174.900 0.138 0.000 1.156 93 G CA -0.446 44.703 45.100 0.082 0.000 0.757 93 G HN 0.775 nan 8.290 nan 0.000 0.642 94 I N -0.157 120.520 120.570 0.178 0.000 2.740 94 I HA 0.875 5.043 4.170 -0.004 0.000 0.303 94 I C -2.132 174.138 176.117 0.254 0.000 1.044 94 I CA -2.829 58.634 61.300 0.271 0.000 1.064 94 I CB 2.072 40.261 38.000 0.315 0.000 1.249 94 I HN 0.415 nan 8.210 nan 0.000 0.433 95 P HA 0.146 nan 4.420 nan 0.000 0.269 95 P C -1.183 176.213 177.300 0.160 0.000 1.209 95 P CA 0.191 63.427 63.100 0.227 0.000 0.776 95 P CB 0.252 32.134 31.700 0.303 0.000 0.876 96 H N 2.940 121.951 119.070 -0.099 0.000 2.457 96 H HA 0.199 4.752 4.556 -0.004 0.000 0.335 96 H C -1.811 173.229 175.328 -0.481 0.000 1.115 96 H CA -2.148 53.724 56.048 -0.293 0.000 1.219 96 H CB 1.727 31.297 29.762 -0.320 0.000 1.471 96 H HN 0.180 nan 8.280 nan 0.000 0.491 97 P HA -0.150 nan 4.420 nan 0.000 0.216 97 P C 1.078 178.038 177.300 -0.566 0.000 1.150 97 P CA 1.967 64.496 63.100 -0.953 0.000 0.843 97 P CB 0.046 30.739 31.700 -1.678 0.000 0.787 98 A N -0.529 122.064 122.820 -0.379 0.000 2.125 98 A HA -0.023 4.294 4.320 -0.004 0.000 0.219 98 A C 2.264 180.054 177.584 0.342 0.000 1.156 98 A CA 1.767 53.917 52.037 0.188 0.000 0.671 98 A CB -1.544 17.691 19.000 0.391 0.000 0.794 98 A HN 0.328 nan 8.150 nan 0.000 0.459 99 G N -1.063 107.757 108.800 0.033 0.000 2.939 99 G HA2 0.345 4.303 3.960 -0.004 0.000 0.210 99 G HA3 0.345 4.303 3.960 -0.004 0.000 0.210 99 G C 0.511 175.528 174.900 0.196 0.000 1.160 99 G CA -0.343 44.749 45.100 -0.014 0.000 0.770 99 G HN 0.388 nan 8.290 nan 0.000 0.543 100 L N 0.972 122.273 121.223 0.130 0.000 2.426 100 L HA 0.253 4.591 4.340 -0.004 0.000 0.271 100 L C 0.317 177.271 176.870 0.141 0.000 1.169 100 L CA -0.224 54.616 54.840 0.001 0.000 0.836 100 L CB 0.885 42.749 42.059 -0.324 0.000 1.112 100 L HN -0.006 nan 8.230 nan 0.000 0.465 101 K N 2.567 123.009 120.400 0.070 0.000 2.185 101 K HA 0.172 4.490 4.320 -0.004 0.000 0.271 101 K C -0.086 176.448 176.600 -0.110 0.000 1.013 101 K CA -0.584 55.743 56.287 0.067 0.000 0.943 101 K CB 0.925 33.459 32.500 0.057 0.000 0.998 101 K HN 0.375 nan 8.250 nan 0.000 0.468 102 K N 2.638 123.034 120.400 -0.007 0.000 2.448 102 K HA -0.021 4.296 4.320 -0.004 0.000 0.278 102 K C -0.557 176.002 176.600 -0.068 0.000 1.009 102 K CA 0.392 56.654 56.287 -0.041 0.000 0.995 102 K CB 0.496 33.075 32.500 0.131 0.000 0.917 102 K HN 0.263 nan 8.250 nan 0.000 0.481 103 K N 3.750 124.090 120.400 -0.099 0.000 2.316 103 K HA 0.137 4.455 4.320 -0.004 0.000 0.251 103 K C 0.311 176.883 176.600 -0.048 0.000 0.934 103 K CA -0.558 55.688 56.287 -0.068 0.000 0.802 103 K CB 1.791 34.237 32.500 -0.090 0.000 1.171 103 K HN 0.553 nan 8.250 nan 0.000 0.426 104 K N 0.627 121.002 120.400 -0.042 0.000 2.026 104 K HA 0.006 4.323 4.320 -0.004 0.000 0.208 104 K C -0.098 176.435 176.600 -0.112 0.000 1.048 104 K CA 1.221 57.476 56.287 -0.053 0.000 0.929 104 K CB 0.254 32.731 32.500 -0.039 0.000 0.713 104 K HN 0.480 nan 8.250 nan 0.000 0.439 105 S N 0.519 116.101 115.700 -0.196 0.000 2.532 105 S HA 0.411 4.878 4.470 -0.004 0.000 0.299 105 S C -1.020 173.399 174.600 -0.301 0.000 1.105 105 S CA -1.016 56.928 58.200 -0.428 0.000 1.018 105 S CB 2.111 64.654 63.200 -1.096 0.000 1.021 105 S HN 0.161 nan 8.310 nan 0.000 0.483 106 V N 0.161 120.000 119.914 -0.125 0.000 2.709 106 V HA 0.899 5.017 4.120 -0.004 0.000 0.308 106 V C -0.620 175.574 176.094 0.166 0.000 1.062 106 V CA -0.456 61.874 62.300 0.050 0.000 0.901 106 V CB 1.663 33.520 31.823 0.057 0.000 1.003 106 V HN 0.731 nan 8.190 nan 0.000 0.425 107 T N 3.439 118.098 114.554 0.176 0.000 2.861 107 T HA 0.575 4.922 4.350 -0.004 0.000 0.287 107 T C -0.708 174.009 174.700 0.029 0.000 1.003 107 T CA -0.439 61.757 62.100 0.161 0.000 0.977 107 T CB 1.879 70.875 68.868 0.213 0.000 0.996 107 T HN 1.006 nan 8.240 nan 0.000 0.448 108 V N 5.237 125.149 119.914 -0.002 0.000 2.439 108 V HA 0.633 4.751 4.120 -0.004 0.000 0.282 108 V C -1.118 175.004 176.094 0.045 0.000 1.039 108 V CA -0.680 61.625 62.300 0.008 0.000 0.913 108 V CB 0.581 32.381 31.823 -0.038 0.000 0.983 108 V HN 0.738 nan 8.190 nan 0.000 0.460 109 L N 7.472 128.699 121.223 0.007 0.000 2.377 109 L HA 0.521 4.858 4.340 -0.004 0.000 0.270 109 L C -0.585 176.274 176.870 -0.018 0.000 0.991 109 L CA -0.686 54.154 54.840 0.000 0.000 0.851 109 L CB 1.648 43.693 42.059 -0.024 0.000 1.218 109 L HN 0.698 nan 8.230 nan 0.000 0.420 110 D N 3.583 123.992 120.400 0.016 0.000 2.249 110 D HA 0.231 4.869 4.640 -0.004 0.000 0.246 110 D C -0.143 176.164 176.300 0.011 0.000 1.114 110 D CA -0.441 53.564 54.000 0.009 0.000 0.854 110 D CB 2.414 43.231 40.800 0.027 0.000 1.132 110 D HN 0.068 nan 8.370 nan 0.000 0.461 111 V N 2.406 122.333 119.914 0.021 0.000 2.572 111 V HA 0.343 4.461 4.120 -0.004 0.000 0.291 111 V C 1.388 177.485 176.094 0.006 0.000 1.039 111 V CA -0.251 62.079 62.300 0.050 0.000 1.055 111 V CB 0.955 32.872 31.823 0.156 0.000 0.969 111 V HN 0.711 nan 8.190 nan 0.000 0.482 112 G N 2.293 111.102 108.800 0.015 0.000 2.372 112 G HA2 0.449 4.407 3.960 -0.004 0.000 0.283 112 G HA3 0.449 4.407 3.960 -0.004 0.000 0.283 112 G C -0.117 174.783 174.900 0.001 0.000 1.177 112 G CA -0.318 44.775 45.100 -0.011 0.000 0.842 112 G HN 0.892 nan 8.290 nan 0.000 0.503 113 D N 0.304 120.670 120.400 -0.058 0.000 2.686 113 D HA -0.209 4.428 4.640 -0.004 0.000 0.235 113 D C 1.679 177.987 176.300 0.014 0.000 1.160 113 D CA 1.064 55.028 54.000 -0.060 0.000 0.645 113 D CB -0.928 39.900 40.800 0.047 0.000 1.039 113 D HN 0.661 nan 8.370 nan 0.000 0.423 114 A N -0.308 122.458 122.820 -0.090 0.000 1.884 114 A HA -0.293 4.025 4.320 -0.004 0.000 0.219 114 A C 1.826 179.575 177.584 0.276 0.000 1.197 114 A CA 1.535 53.574 52.037 0.004 0.000 0.637 114 A CB -0.572 18.055 19.000 -0.622 0.000 0.827 114 A HN 0.458 nan 8.150 nan 0.000 0.450 115 Y N -1.139 119.139 120.300 -0.037 0.000 2.145 115 Y HA -0.098 4.449 4.550 -0.004 0.000 0.286 115 Y C 2.270 178.430 175.900 0.433 0.000 1.145 115 Y CA 0.330 58.536 58.100 0.177 0.000 1.148 115 Y CB -1.296 37.224 38.460 0.101 0.000 0.981 115 Y HN 0.418 nan 8.280 nan 0.000 0.507 116 F N -0.866 119.253 119.950 0.281 0.000 2.546 116 F HA -0.122 4.403 4.527 -0.004 0.000 0.298 116 F C 1.904 177.818 175.800 0.190 0.000 1.120 116 F CA 0.355 58.491 58.000 0.225 0.000 1.456 116 F CB -0.045 39.061 39.000 0.176 0.000 1.088 116 F HN -0.088 nan 8.300 nan 0.000 0.572 117 S N -0.240 115.695 115.700 0.391 0.000 2.593 117 S HA 0.115 4.583 4.470 -0.004 0.000 0.217 117 S C 0.224 174.977 174.600 0.256 0.000 0.966 117 S CA 0.092 58.460 58.200 0.280 0.000 0.914 117 S CB 0.126 63.480 63.200 0.257 0.000 0.776 117 S HN -0.105 nan 8.310 nan 0.000 0.523 118 V N 3.925 124.011 119.914 0.286 0.000 2.531 118 V HA 0.391 4.509 4.120 -0.004 0.000 0.301 118 V C -2.470 173.729 176.094 0.175 0.000 1.034 118 V CA -2.366 60.065 62.300 0.217 0.000 0.865 118 V CB 1.985 33.954 31.823 0.242 0.000 0.995 118 V HN 0.020 nan 8.190 nan 0.000 0.424 119 P HA 0.145 nan 4.420 nan 0.000 0.269 119 P C -0.772 176.587 177.300 0.099 0.000 1.215 119 P CA -0.120 63.044 63.100 0.106 0.000 0.780 119 P CB 1.382 33.137 31.700 0.091 0.000 0.898 120 L N 2.028 123.304 121.223 0.087 0.000 2.325 120 L HA 0.300 4.637 4.340 -0.004 0.000 0.278 120 L C 0.288 177.211 176.870 0.088 0.000 1.023 120 L CA -0.736 54.147 54.840 0.073 0.000 0.811 120 L CB 1.409 43.495 42.059 0.045 0.000 1.249 120 L HN 0.349 nan 8.230 nan 0.000 0.431 121 D N 3.059 123.520 120.400 0.102 0.000 2.662 121 D HA -0.167 4.471 4.640 -0.004 0.000 0.237 121 D C 1.100 177.480 176.300 0.133 0.000 1.154 121 D CA 0.761 54.834 54.000 0.122 0.000 0.861 121 D CB 0.812 41.699 40.800 0.144 0.000 1.146 121 D HN 0.665 nan 8.370 nan 0.000 0.518 122 E N 2.645 122.900 120.200 0.092 0.000 2.086 122 E HA -0.260 4.087 4.350 -0.004 0.000 0.200 122 E C 0.767 177.403 176.600 0.060 0.000 1.012 122 E CA 1.660 58.099 56.400 0.064 0.000 0.812 122 E CB 0.182 29.910 29.700 0.047 0.000 0.743 122 E HN 0.562 nan 8.360 nan 0.000 0.453 123 D N -0.787 119.667 120.400 0.090 0.000 2.378 123 D HA -0.119 4.518 4.640 -0.004 0.000 0.222 123 D C 1.088 177.455 176.300 0.113 0.000 0.980 123 D CA 0.523 54.572 54.000 0.081 0.000 0.907 123 D CB -0.019 40.850 40.800 0.115 0.000 0.899 123 D HN 0.251 nan 8.370 nan 0.000 0.527 124 F N 0.916 120.867 119.950 0.001 0.000 2.717 124 F HA 0.183 4.708 4.527 -0.004 0.000 0.295 124 F C 1.986 177.740 175.800 -0.077 0.000 1.117 124 F CA -0.135 57.895 58.000 0.049 0.000 1.361 124 F CB 0.294 39.342 39.000 0.081 0.000 1.112 124 F HN -0.291 nan 8.300 nan 0.000 0.594 125 R N 1.102 121.573 120.500 -0.048 0.000 2.127 125 R HA -0.188 4.149 4.340 -0.004 0.000 0.238 125 R C 2.128 178.310 176.300 -0.197 0.000 1.134 125 R CA 1.851 57.904 56.100 -0.079 0.000 0.975 125 R CB -0.506 29.786 30.300 -0.013 0.000 0.865 125 R HN 0.376 nan 8.270 nan 0.000 0.447 126 K N -0.295 119.899 120.400 -0.343 0.000 2.362 126 K HA -0.138 4.180 4.320 -0.004 0.000 0.200 126 K C 0.820 177.195 176.600 -0.374 0.000 1.046 126 K CA 1.312 57.404 56.287 -0.326 0.000 0.952 126 K CB -0.097 32.189 32.500 -0.356 0.000 0.753 126 K HN 0.229 nan 8.250 nan 0.000 0.466 127 Y N 2.340 122.366 120.300 -0.455 0.000 2.529 127 Y HA 0.008 4.556 4.550 -0.004 0.000 0.290 127 Y C 2.093 177.825 175.900 -0.279 0.000 1.177 127 Y CA 0.895 58.631 58.100 -0.608 0.000 1.305 127 Y CB 0.023 37.868 38.460 -1.025 0.000 1.047 127 Y HN 0.289 nan 8.280 nan 0.000 0.522 128 T N -2.981 111.554 114.554 -0.032 0.000 3.086 128 T HA 0.442 4.790 4.350 -0.004 0.000 0.250 128 T C 0.982 175.925 174.700 0.405 0.000 1.074 128 T CA 0.026 62.265 62.100 0.232 0.000 0.988 128 T CB -0.424 68.572 68.868 0.214 0.000 0.988 128 T HN 0.176 nan 8.240 nan 0.000 0.530 129 A N 2.002 124.960 122.820 0.230 0.000 2.580 129 A HA 0.465 4.783 4.320 -0.004 0.000 0.244 129 A C 0.048 177.799 177.584 0.278 0.000 1.045 129 A CA -0.191 51.944 52.037 0.163 0.000 0.761 129 A CB -0.848 18.216 19.000 0.108 0.000 0.962 129 A HN 0.754 nan 8.150 nan 0.000 0.512 130 F N 0.258 120.307 119.950 0.165 0.000 2.640 130 F HA 0.874 5.398 4.527 -0.004 0.000 0.324 130 F C 0.017 175.891 175.800 0.124 0.000 1.077 130 F CA -0.517 57.565 58.000 0.136 0.000 0.965 130 F CB 1.552 40.629 39.000 0.128 0.000 1.351 130 F HN 0.518 nan 8.300 nan 0.000 0.487 131 T N -0.274 114.448 114.554 0.280 0.000 2.879 131 T HA 0.670 5.017 4.350 -0.004 0.000 0.290 131 T C -0.877 173.954 174.700 0.218 0.000 0.993 131 T CA -0.531 61.651 62.100 0.136 0.000 0.975 131 T CB 1.123 70.038 68.868 0.079 0.000 0.981 131 T HN 0.731 nan 8.240 nan 0.000 0.439 132 I N 5.273 125.949 120.570 0.177 0.000 2.337 132 I HA 0.307 4.475 4.170 -0.004 0.000 0.291 132 I C -1.948 174.212 176.117 0.071 0.000 1.046 132 I CA -2.389 59.003 61.300 0.154 0.000 1.324 132 I CB 1.112 39.209 38.000 0.161 0.000 1.409 132 I HN 0.422 nan 8.210 nan 0.000 0.494 133 P HA 0.085 nan 4.420 nan 0.000 0.275 133 P C -0.250 177.046 177.300 -0.007 0.000 1.227 133 P CA -0.309 62.801 63.100 0.017 0.000 0.781 133 P CB 0.935 32.642 31.700 0.012 0.000 0.906 134 S N 2.877 118.565 115.700 -0.021 0.000 2.600 134 S HA 0.235 4.702 4.470 -0.004 0.000 0.265 134 S C 0.748 175.324 174.600 -0.040 0.000 1.325 134 S CA -0.751 57.431 58.200 -0.031 0.000 1.002 134 S CB -0.159 63.022 63.200 -0.033 0.000 0.921 134 S HN 0.338 nan 8.310 nan 0.000 0.554 135 I N 2.476 123.021 120.570 -0.041 0.000 2.821 135 I HA -0.087 4.080 4.170 -0.004 0.000 0.294 135 I C 0.761 176.847 176.117 -0.051 0.000 1.210 135 I CA 0.310 61.583 61.300 -0.046 0.000 1.430 135 I CB -0.550 37.425 38.000 -0.040 0.000 1.356 135 I HN 0.700 nan 8.210 nan 0.000 0.563 136 N N 4.541 123.203 118.700 -0.063 0.000 2.650 136 N HA -0.301 4.437 4.740 -0.004 0.000 0.249 136 N C 0.421 175.883 175.510 -0.080 0.000 1.155 136 N CA 1.524 54.528 53.050 -0.076 0.000 0.747 136 N CB -1.179 37.271 38.487 -0.061 0.000 1.132 136 N HN 0.852 nan 8.380 nan 0.000 0.564 137 N N -1.271 117.386 118.700 -0.071 0.000 2.776 137 N HA -0.204 4.534 4.740 -0.004 0.000 0.250 137 N C 0.637 176.115 175.510 -0.053 0.000 1.112 137 N CA 1.296 54.307 53.050 -0.065 0.000 0.733 137 N CB -0.558 37.876 38.487 -0.089 0.000 1.097 137 N HN 0.436 nan 8.380 nan 0.000 0.558 138 E N -0.522 119.650 120.200 -0.047 0.000 2.158 138 E HA 0.068 4.416 4.350 -0.004 0.000 0.191 138 E C 0.747 177.326 176.600 -0.035 0.000 0.982 138 E CA 1.501 57.877 56.400 -0.040 0.000 0.823 138 E CB 0.247 29.926 29.700 -0.036 0.000 0.766 138 E HN 0.593 nan 8.360 nan 0.000 0.468 139 T N -2.156 112.377 114.554 -0.035 0.000 2.949 139 T HA 0.600 4.948 4.350 -0.004 0.000 0.287 139 T C -2.650 172.029 174.700 -0.035 0.000 1.034 139 T CA -2.410 59.669 62.100 -0.034 0.000 1.018 139 T CB 1.399 70.246 68.868 -0.034 0.000 1.135 139 T HN -0.280 nan 8.240 nan 0.000 0.532 140 P HA 0.272 nan 4.420 nan 0.000 0.264 140 P C 0.516 177.790 177.300 -0.043 0.000 1.183 140 P CA 0.141 63.217 63.100 -0.041 0.000 0.763 140 P CB 0.047 31.719 31.700 -0.047 0.000 0.807 141 G N 2.464 111.240 108.800 -0.039 0.000 2.588 141 G HA2 0.454 4.411 3.960 -0.004 0.000 0.281 141 G HA3 0.454 4.411 3.960 -0.004 0.000 0.281 141 G C -0.480 174.381 174.900 -0.065 0.000 1.236 141 G CA -0.755 44.325 45.100 -0.034 0.000 0.969 141 G HN 0.431 nan 8.290 nan 0.000 0.504 142 I N 0.257 120.790 120.570 -0.062 0.000 2.331 142 I HA 0.331 4.499 4.170 -0.004 0.000 0.292 142 I C 0.283 176.277 176.117 -0.205 0.000 0.998 142 I CA -0.273 60.939 61.300 -0.146 0.000 1.267 142 I CB 1.348 39.290 38.000 -0.096 0.000 1.386 142 I HN 0.235 nan 8.210 nan 0.000 0.476 143 R N 5.762 126.048 120.500 -0.355 0.000 2.387 143 R HA 0.595 4.933 4.340 -0.004 0.000 0.314 143 R C -1.492 174.458 176.300 -0.584 0.000 0.958 143 R CA -0.648 55.233 56.100 -0.363 0.000 0.846 143 R CB 1.733 31.895 30.300 -0.230 0.000 1.147 143 R HN 0.435 nan 8.270 nan 0.000 0.447 144 Y N 0.618 120.555 120.300 -0.604 0.000 2.598 144 Y HA 0.316 4.864 4.550 -0.004 0.000 0.340 144 Y C 0.019 175.596 175.900 -0.539 0.000 1.038 144 Y CA -0.835 56.904 58.100 -0.602 0.000 1.100 144 Y CB 2.166 40.176 38.460 -0.749 0.000 1.281 144 Y HN 0.453 nan 8.280 nan 0.000 0.488 145 Q N -0.143 119.596 119.800 -0.101 0.000 2.421 145 Q HA 0.489 4.827 4.340 -0.004 0.000 0.280 145 Q C -2.013 174.008 176.000 0.035 0.000 1.085 145 Q CA -1.117 54.696 55.803 0.017 0.000 0.807 145 Q CB 1.955 30.696 28.738 0.005 0.000 1.405 145 Q HN 0.651 nan 8.270 nan 0.000 0.419 146 Y N 1.540 121.904 120.300 0.106 0.000 2.411 146 Y HA 0.084 4.632 4.550 -0.004 0.000 0.333 146 Y C 0.983 176.878 175.900 -0.008 0.000 1.186 146 Y CA 0.442 58.569 58.100 0.045 0.000 1.381 146 Y CB 0.733 39.221 38.460 0.047 0.000 1.273 146 Y HN 0.724 nan 8.280 nan 0.000 0.546 147 N N 1.117 119.871 118.700 0.089 0.000 2.250 147 N HA 0.071 4.809 4.740 -0.004 0.000 0.190 147 N C -0.421 175.144 175.510 0.091 0.000 1.116 147 N CA 0.423 53.512 53.050 0.064 0.000 0.881 147 N CB 0.773 39.272 38.487 0.020 0.000 1.006 147 N HN 0.385 nan 8.380 nan 0.000 0.491 148 V N -2.264 117.732 119.914 0.136 0.000 3.155 148 V HA 0.539 4.657 4.120 -0.004 0.000 0.313 148 V C -0.020 176.174 176.094 0.167 0.000 1.162 148 V CA -1.191 61.197 62.300 0.148 0.000 1.048 148 V CB 1.461 33.360 31.823 0.127 0.000 1.092 148 V HN -0.153 nan 8.190 nan 0.000 0.447 149 L N 2.265 123.603 121.223 0.191 0.000 2.500 149 L HA 0.342 4.680 4.340 -0.004 0.000 0.272 149 L C -2.238 174.742 176.870 0.183 0.000 1.149 149 L CA -1.134 53.781 54.840 0.125 0.000 0.897 149 L CB 0.125 42.230 42.059 0.076 0.000 1.178 149 L HN 0.469 nan 8.230 nan 0.000 0.473 150 P HA 0.045 nan 4.420 nan 0.000 0.271 150 P C -0.693 176.754 177.300 0.245 0.000 1.216 150 P CA -0.430 62.575 63.100 -0.159 0.000 0.776 150 P CB 0.474 31.787 31.700 -0.646 0.000 0.881 151 Q N 1.677 121.750 119.800 0.454 0.000 2.300 151 Q HA 0.207 4.545 4.340 -0.004 0.000 0.280 151 Q C 1.469 177.686 176.000 0.361 0.000 1.033 151 Q CA 1.441 57.483 55.803 0.397 0.000 0.903 151 Q CB 0.058 28.946 28.738 0.251 0.000 1.195 151 Q HN 0.915 nan 8.270 nan 0.000 0.386 152 G N 2.527 111.504 108.800 0.295 0.000 2.195 152 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.246 152 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.246 152 G C -0.281 174.788 174.900 0.282 0.000 0.984 152 G CA 0.107 45.378 45.100 0.286 0.000 0.633 152 G HN 0.621 nan 8.290 nan 0.000 0.525 153 W N 1.682 122.913 121.300 -0.116 0.000 2.184 153 W HA 0.620 5.278 4.660 -0.004 0.000 0.338 153 W C 1.381 177.758 176.519 -0.238 0.000 1.257 153 W CA -0.167 56.948 57.345 -0.384 0.000 1.243 153 W CB 0.818 29.871 29.460 -0.678 0.000 1.122 153 W HN 0.027 nan 8.180 nan 0.000 0.585 154 K N 1.898 121.688 120.400 -1.017 0.000 2.057 154 K HA -0.066 4.252 4.320 -0.004 0.000 0.206 154 K C 1.737 177.660 176.600 -1.127 0.000 1.050 154 K CA 1.699 57.488 56.287 -0.830 0.000 0.935 154 K CB -0.601 31.552 32.500 -0.578 0.000 0.715 154 K HN 0.715 nan 8.250 nan 0.000 0.439 155 G N -0.529 106.972 108.800 -2.164 0.000 2.985 155 G HA2 -0.049 3.908 3.960 -0.004 0.000 0.209 155 G HA3 -0.049 3.908 3.960 -0.004 0.000 0.209 155 G C 1.101 175.263 174.900 -1.230 0.000 1.165 155 G CA -0.009 43.772 45.100 -2.198 0.000 0.776 155 G HN 0.190 nan 8.290 nan 0.000 0.541 156 S N 1.615 116.835 115.700 -0.799 0.000 2.345 156 S HA -0.040 4.427 4.470 -0.004 0.000 0.219 156 S C 0.202 174.431 174.600 -0.618 0.000 1.031 156 S CA 1.237 59.072 58.200 -0.608 0.000 0.984 156 S CB -0.533 62.183 63.200 -0.807 0.000 0.874 156 S HN 0.335 nan 8.310 nan 0.000 0.451 157 P HA -0.026 nan 4.420 nan 0.000 0.216 157 P C 1.173 178.406 177.300 -0.110 0.000 1.150 157 P CA 1.391 64.399 63.100 -0.153 0.000 0.837 157 P CB -0.102 31.544 31.700 -0.091 0.000 0.786 158 A N -0.178 122.475 122.820 -0.278 0.000 1.897 158 A HA -0.066 4.252 4.320 -0.004 0.000 0.215 158 A C 2.337 179.821 177.584 -0.167 0.000 1.181 158 A CA 1.062 52.964 52.037 -0.225 0.000 0.620 158 A CB -1.381 17.414 19.000 -0.342 0.000 0.821 158 A HN 0.096 nan 8.150 nan 0.000 0.443 159 I N -1.726 118.691 120.570 -0.255 0.000 2.439 159 I HA -0.164 4.004 4.170 -0.004 0.000 0.251 159 I C 2.311 178.404 176.117 -0.040 0.000 1.139 159 I CA 1.110 62.331 61.300 -0.131 0.000 1.438 159 I CB -0.294 37.630 38.000 -0.127 0.000 1.085 159 I HN 0.454 nan 8.210 nan 0.000 0.427 160 F N 1.981 121.858 119.950 -0.121 0.000 2.075 160 F HA -0.281 4.244 4.527 -0.004 0.000 0.297 160 F C 2.706 178.493 175.800 -0.021 0.000 1.113 160 F CA 1.729 59.714 58.000 -0.025 0.000 1.218 160 F CB -0.278 38.760 39.000 0.064 0.000 0.984 160 F HN -0.007 nan 8.300 nan 0.000 0.472 161 Q N 0.419 120.269 119.800 0.083 0.000 2.152 161 Q HA -0.202 4.136 4.340 -0.004 0.000 0.206 161 Q C 2.571 178.495 176.000 -0.126 0.000 0.985 161 Q CA 1.994 57.789 55.803 -0.013 0.000 0.863 161 Q CB -1.066 27.707 28.738 0.060 0.000 0.904 161 Q HN 0.617 nan 8.270 nan 0.000 0.422 162 S N -0.609 115.032 115.700 -0.098 0.000 2.406 162 S HA -0.028 4.440 4.470 -0.004 0.000 0.228 162 S C 2.153 176.663 174.600 -0.150 0.000 1.020 162 S CA 1.080 59.227 58.200 -0.088 0.000 0.965 162 S CB -0.086 63.092 63.200 -0.037 0.000 0.798 162 S HN 0.156 nan 8.310 nan 0.000 0.488 163 S N 1.776 117.348 115.700 -0.213 0.000 2.368 163 S HA -0.002 4.466 4.470 -0.004 0.000 0.224 163 S C 1.815 176.221 174.600 -0.323 0.000 1.029 163 S CA 1.549 59.600 58.200 -0.248 0.000 0.988 163 S CB -0.503 62.546 63.200 -0.251 0.000 0.838 163 S HN 0.570 nan 8.310 nan 0.000 0.462 164 M N 1.903 121.236 119.600 -0.445 0.000 2.213 164 M HA -0.065 4.412 4.480 -0.004 0.000 0.263 164 M C 1.853 178.013 176.300 -0.233 0.000 1.062 164 M CA 1.595 56.670 55.300 -0.376 0.000 1.105 164 M CB -1.181 31.166 32.600 -0.421 0.000 1.385 164 M HN 0.141 nan 8.290 nan 0.000 0.417 165 T N 0.308 114.749 114.554 -0.189 0.000 2.857 165 T HA -0.085 4.263 4.350 -0.004 0.000 0.266 165 T C 1.803 176.421 174.700 -0.136 0.000 1.048 165 T CA 1.459 63.483 62.100 -0.126 0.000 1.139 165 T CB -0.082 68.734 68.868 -0.086 0.000 0.874 165 T HN 0.445 nan 8.240 nan 0.000 0.455 166 K N 0.508 120.804 120.400 -0.173 0.000 2.062 166 K HA 0.122 4.440 4.320 -0.004 0.000 0.205 166 K C 2.179 178.602 176.600 -0.295 0.000 1.051 166 K CA 0.936 57.106 56.287 -0.196 0.000 0.941 166 K CB -0.202 32.182 32.500 -0.194 0.000 0.719 166 K HN 0.298 nan 8.250 nan 0.000 0.440 167 I N 1.119 121.457 120.570 -0.388 0.000 2.315 167 I HA -0.260 3.908 4.170 -0.004 0.000 0.248 167 I C 2.085 178.071 176.117 -0.219 0.000 1.117 167 I CA 1.110 62.071 61.300 -0.565 0.000 1.404 167 I CB -0.102 37.565 38.000 -0.553 0.000 1.071 167 I HN 0.115 nan 8.210 nan 0.000 0.419 168 L N 0.308 121.455 121.223 -0.127 0.000 2.217 168 L HA -0.170 4.168 4.340 -0.004 0.000 0.211 168 L C 2.571 179.456 176.870 0.025 0.000 1.107 168 L CA 0.899 55.733 54.840 -0.009 0.000 0.783 168 L CB -0.550 41.484 42.059 -0.042 0.000 0.919 168 L HN 0.332 nan 8.230 nan 0.000 0.442 169 E N 0.946 121.125 120.200 -0.036 0.000 2.108 169 E HA -0.268 4.079 4.350 -0.004 0.000 0.203 169 E C -0.616 175.980 176.600 -0.008 0.000 1.022 169 E CA 2.039 58.423 56.400 -0.027 0.000 0.823 169 E CB -0.706 28.959 29.700 -0.057 0.000 0.744 169 E HN 0.335 nan 8.360 nan 0.000 0.456 170 P HA -0.097 nan 4.420 nan 0.000 0.215 170 P C 1.227 178.491 177.300 -0.060 0.000 1.157 170 P CA 0.956 64.038 63.100 -0.030 0.000 0.859 170 P CB -0.321 31.376 31.700 -0.006 0.000 0.786 171 F N 0.703 120.500 119.950 -0.255 0.000 2.307 171 F HA -0.143 4.381 4.527 -0.005 0.000 0.301 171 F C 2.068 177.796 175.800 -0.120 0.000 1.076 171 F CA 1.360 59.212 58.000 -0.247 0.000 1.383 171 F CB -0.146 38.684 39.000 -0.283 0.000 1.055 171 F HN -0.246 nan 8.300 nan 0.000 0.526 172 R N -0.102 120.455 120.500 0.095 0.000 2.093 172 R HA -0.084 4.253 4.340 -0.004 0.000 0.224 172 R C 2.293 178.568 176.300 -0.042 0.000 1.101 172 R CA 1.055 57.184 56.100 0.047 0.000 0.979 172 R CB -0.317 30.016 30.300 0.054 0.000 0.877 172 R HN 0.213 nan 8.270 nan 0.000 0.441 173 K N 1.016 121.384 120.400 -0.053 0.000 2.057 173 K HA -0.187 4.131 4.320 -0.004 0.000 0.207 173 K C 1.913 178.453 176.600 -0.099 0.000 1.049 173 K CA 1.527 57.778 56.287 -0.061 0.000 0.931 173 K CB 0.152 32.623 32.500 -0.049 0.000 0.714 173 K HN 0.190 nan 8.250 nan 0.000 0.440 174 Q N -0.466 119.236 119.800 -0.162 0.000 2.389 174 Q HA 0.034 4.372 4.340 -0.004 0.000 0.204 174 Q C -0.029 175.819 176.000 -0.254 0.000 0.944 174 Q CA 0.511 56.191 55.803 -0.204 0.000 0.908 174 Q CB 0.418 29.005 28.738 -0.251 0.000 1.002 174 Q HN 0.248 nan 8.270 nan 0.000 0.493 175 N N 1.032 119.553 118.700 -0.298 0.000 2.813 175 N HA 0.126 4.864 4.740 -0.004 0.000 0.282 175 N C -2.238 173.204 175.510 -0.113 0.000 1.748 175 N CA -0.856 52.028 53.050 -0.277 0.000 0.860 175 N CB 1.238 39.402 38.487 -0.538 0.000 1.204 175 N HN 0.104 nan 8.380 nan 0.000 0.490 176 P HA -0.099 nan 4.420 nan 0.000 0.218 176 P C 0.572 177.871 177.300 -0.001 0.000 1.149 176 P CA 1.164 64.249 63.100 -0.024 0.000 0.817 176 P CB 0.454 32.139 31.700 -0.024 0.000 0.785 177 D N -0.261 120.133 120.400 -0.011 0.000 2.351 177 D HA 0.003 4.641 4.640 -0.004 0.000 0.216 177 D C 0.870 177.195 176.300 0.042 0.000 0.968 177 D CA 0.742 54.749 54.000 0.012 0.000 0.899 177 D CB -0.314 40.488 40.800 0.003 0.000 0.907 177 D HN 0.301 nan 8.370 nan 0.000 0.514 178 I N 0.316 120.917 120.570 0.051 0.000 2.441 178 I HA 0.198 4.366 4.170 -0.004 0.000 0.295 178 I C -0.315 175.877 176.117 0.124 0.000 0.994 178 I CA -0.858 60.504 61.300 0.103 0.000 1.144 178 I CB 2.460 40.547 38.000 0.145 0.000 1.314 178 I HN -0.402 nan 8.210 nan 0.000 0.445 179 V N 7.296 127.291 119.914 0.136 0.000 2.435 179 V HA 0.483 4.601 4.120 -0.004 0.000 0.290 179 V C -0.097 176.105 176.094 0.181 0.000 1.030 179 V CA -0.406 61.990 62.300 0.160 0.000 0.881 179 V CB 1.806 33.725 31.823 0.160 0.000 0.983 179 V HN 0.460 nan 8.190 nan 0.000 0.445 180 I N 5.032 125.725 120.570 0.205 0.000 2.500 180 I HA 0.381 4.549 4.170 -0.004 0.000 0.286 180 I C -1.408 174.858 176.117 0.249 0.000 1.063 180 I CA -0.583 60.823 61.300 0.177 0.000 1.062 180 I CB 1.752 39.803 38.000 0.086 0.000 1.223 180 I HN 0.439 nan 8.210 nan 0.000 0.435 181 Y N 4.593 124.902 120.300 0.015 0.000 2.320 181 Y HA 0.353 4.902 4.550 -0.002 0.000 0.334 181 Y C 0.242 176.116 175.900 -0.042 0.000 1.055 181 Y CA -0.717 57.404 58.100 0.035 0.000 1.143 181 Y CB 1.321 39.854 38.460 0.121 0.000 1.193 181 Y HN 0.444 nan 8.280 nan 0.000 0.477 182 Q N 3.460 123.303 119.800 0.072 0.000 2.322 182 Q HA 0.261 4.599 4.340 -0.004 0.000 0.256 182 Q C -1.557 174.540 176.000 0.163 0.000 0.960 182 Q CA -0.437 55.387 55.803 0.036 0.000 0.934 182 Q CB 1.192 29.937 28.738 0.011 0.000 1.200 182 Q HN 0.622 nan 8.270 nan 0.000 0.435 183 Y N 4.682 124.975 120.300 -0.013 0.000 2.327 183 Y HA 0.268 4.817 4.550 -0.003 0.000 0.325 183 Y C 0.119 176.080 175.900 0.102 0.000 0.999 183 Y CA -0.440 57.748 58.100 0.146 0.000 1.195 183 Y CB 0.540 39.254 38.460 0.423 0.000 1.132 183 Y HN 0.816 nan 8.280 nan 0.000 0.455 184 M N 1.304 120.679 119.600 -0.375 0.000 7.319 184 M HA -0.356 4.122 4.480 -0.004 0.000 0.313 184 M C 0.212 176.464 176.300 -0.079 0.000 0.480 184 M CA 2.218 57.346 55.300 -0.285 0.000 1.311 184 M CB -1.001 31.365 32.600 -0.389 0.000 0.421 184 M HN 0.764 nan 8.290 nan 0.000 0.747 185 D N 0.538 120.849 120.400 -0.150 0.000 2.587 185 D HA 0.351 4.989 4.640 -0.004 0.000 0.233 185 D C -0.715 175.574 176.300 -0.019 0.000 1.213 185 D CA 0.045 53.972 54.000 -0.122 0.000 0.827 185 D CB -0.142 40.435 40.800 -0.371 0.000 1.006 185 D HN 0.261 nan 8.370 nan 0.000 0.490 186 D N 0.041 120.418 120.400 -0.039 0.000 2.269 186 D HA 0.508 5.146 4.640 -0.004 0.000 0.244 186 D C -0.447 175.654 176.300 -0.333 0.000 0.992 186 D CA -0.471 53.424 54.000 -0.175 0.000 0.894 186 D CB 1.961 42.629 40.800 -0.221 0.000 1.248 186 D HN 0.043 nan 8.370 nan 0.000 0.468 187 L N 1.768 122.758 121.223 -0.389 0.000 2.385 187 L HA 0.439 4.777 4.340 -0.004 0.000 0.273 187 L C -1.121 175.488 176.870 -0.436 0.000 0.990 187 L CA -0.883 53.733 54.840 -0.373 0.000 0.821 187 L CB 1.419 43.383 42.059 -0.159 0.000 1.279 187 L HN 0.316 nan 8.230 nan 0.000 0.412 188 Y N 2.458 122.730 120.300 -0.046 0.000 2.328 188 Y HA 0.599 5.147 4.550 -0.004 0.000 0.336 188 Y C -0.251 175.600 175.900 -0.082 0.000 0.960 188 Y CA -1.206 56.801 58.100 -0.155 0.000 1.134 188 Y CB 1.965 40.239 38.460 -0.310 0.000 1.166 188 Y HN 0.126 nan 8.280 nan 0.000 0.464 189 V N 2.770 122.728 119.914 0.073 0.000 2.487 189 V HA 0.883 5.001 4.120 -0.004 0.000 0.298 189 V C 0.041 176.221 176.094 0.143 0.000 1.028 189 V CA -0.659 61.695 62.300 0.090 0.000 0.860 189 V CB 1.618 33.472 31.823 0.051 0.000 0.991 189 V HN 0.946 nan 8.190 nan 0.000 0.427 190 G N 2.384 111.273 108.800 0.149 0.000 2.659 190 G HA2 0.813 4.771 3.960 -0.004 0.000 0.296 190 G HA3 0.813 4.771 3.960 -0.004 0.000 0.296 190 G C -0.831 174.178 174.900 0.181 0.000 1.369 190 G CA 0.002 45.198 45.100 0.159 0.000 0.937 190 G HN 1.050 nan 8.290 nan 0.000 0.485 191 S N -0.682 115.130 115.700 0.186 0.000 2.752 191 S HA 0.619 5.086 4.470 -0.004 0.000 0.284 191 S C -1.395 173.251 174.600 0.077 0.000 1.189 191 S CA -0.764 57.527 58.200 0.152 0.000 0.835 191 S CB 2.291 65.634 63.200 0.237 0.000 1.192 191 S HN 0.289 nan 8.310 nan 0.000 0.506 192 D N 0.940 121.378 120.400 0.064 0.000 2.772 192 D HA 0.399 5.037 4.640 -0.004 0.000 0.272 192 D C -0.321 176.002 176.300 0.039 0.000 1.314 192 D CA -0.012 54.006 54.000 0.031 0.000 0.835 192 D CB 0.081 40.892 40.800 0.018 0.000 1.080 192 D HN 0.417 nan 8.370 nan 0.000 0.482 193 L N 0.506 121.772 121.223 0.072 0.000 2.375 193 L HA 0.366 4.704 4.340 -0.004 0.000 0.268 193 L C 0.530 177.433 176.870 0.055 0.000 1.058 193 L CA -1.124 53.760 54.840 0.074 0.000 0.803 193 L CB 0.740 42.869 42.059 0.117 0.000 1.212 193 L HN -0.180 nan 8.230 nan 0.000 0.451 194 E N 0.501 120.729 120.200 0.046 0.000 2.343 194 E HA 0.183 4.531 4.350 -0.004 0.000 0.269 194 E C 0.980 177.611 176.600 0.053 0.000 1.047 194 E CA -0.649 55.769 56.400 0.030 0.000 0.874 194 E CB 0.658 30.373 29.700 0.024 0.000 1.033 194 E HN 0.324 nan 8.360 nan 0.000 0.409 195 I N 1.632 122.220 120.570 0.031 0.000 2.267 195 I HA -0.404 3.764 4.170 -0.004 0.000 0.239 195 I C 1.910 178.089 176.117 0.104 0.000 0.984 195 I CA 2.610 63.942 61.300 0.053 0.000 1.272 195 I CB -1.592 36.428 38.000 0.033 0.000 0.976 195 I HN 0.836 nan 8.210 nan 0.000 0.407 196 G N -0.178 108.667 108.800 0.074 0.000 2.545 196 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.217 196 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.217 196 G C 1.426 176.377 174.900 0.085 0.000 1.218 196 G CA 0.776 45.919 45.100 0.071 0.000 0.787 196 G HN 0.563 nan 8.290 nan 0.000 0.571 197 Q N -0.779 119.070 119.800 0.083 0.000 2.439 197 Q HA -0.080 4.257 4.340 -0.004 0.000 0.211 197 Q C 2.064 178.127 176.000 0.106 0.000 0.978 197 Q CA 1.107 56.956 55.803 0.077 0.000 0.897 197 Q CB -0.053 28.721 28.738 0.061 0.000 0.956 197 Q HN 0.809 nan 8.270 nan 0.000 0.483 198 H N 0.550 119.646 119.070 0.042 0.000 2.320 198 H HA 0.101 4.657 4.556 -0.000 0.000 0.309 198 H C 1.923 177.288 175.328 0.061 0.000 1.057 198 H CA 0.883 56.964 56.048 0.054 0.000 1.374 198 H CB 0.336 30.126 29.762 0.047 0.000 1.421 198 H HN -0.047 nan 8.280 nan 0.000 0.532 199 R N -0.329 120.289 120.500 0.197 0.000 2.154 199 R HA -0.150 4.188 4.340 -0.004 0.000 0.248 199 R C 1.998 178.326 176.300 0.047 0.000 1.155 199 R CA 1.855 58.025 56.100 0.117 0.000 0.979 199 R CB -0.547 29.822 30.300 0.114 0.000 0.869 199 R HN 0.415 nan 8.270 nan 0.000 0.452 200 T N 0.874 115.456 114.554 0.046 0.000 2.770 200 T HA -0.040 4.308 4.350 -0.004 0.000 0.263 200 T C 1.753 176.473 174.700 0.033 0.000 1.039 200 T CA 0.791 62.914 62.100 0.039 0.000 1.142 200 T CB 0.041 68.934 68.868 0.042 0.000 0.868 200 T HN 0.079 nan 8.240 nan 0.000 0.435 201 K N 0.890 121.294 120.400 0.006 0.000 2.148 201 K HA 0.053 4.370 4.320 -0.004 0.000 0.204 201 K C 2.167 178.798 176.600 0.051 0.000 1.050 201 K CA 0.562 56.875 56.287 0.042 0.000 0.942 201 K CB -0.421 32.081 32.500 0.004 0.000 0.724 201 K HN 0.294 nan 8.250 nan 0.000 0.446 202 I N 1.839 122.359 120.570 -0.084 0.000 2.113 202 I HA -0.243 3.924 4.170 -0.004 0.000 0.238 202 I C 2.093 178.203 176.117 -0.010 0.000 1.070 202 I CA 1.379 62.632 61.300 -0.078 0.000 1.332 202 I CB -1.134 36.819 38.000 -0.079 0.000 1.044 202 I HN 0.156 nan 8.210 nan 0.000 0.402 203 E N 0.933 121.146 120.200 0.021 0.000 2.097 203 E HA -0.236 4.112 4.350 -0.004 0.000 0.196 203 E C 2.026 178.667 176.600 0.069 0.000 1.000 203 E CA 1.153 57.579 56.400 0.042 0.000 0.804 203 E CB -0.326 29.403 29.700 0.048 0.000 0.740 203 E HN 0.583 nan 8.360 nan 0.000 0.454 204 E N 0.879 121.144 120.200 0.109 0.000 2.049 204 E HA -0.179 4.169 4.350 -0.004 0.000 0.198 204 E C 2.332 179.051 176.600 0.198 0.000 1.007 204 E CA 0.698 57.212 56.400 0.190 0.000 0.809 204 E CB -0.288 29.576 29.700 0.275 0.000 0.749 204 E HN 0.184 nan 8.360 nan 0.000 0.450 205 L N 1.010 122.273 121.223 0.066 0.000 1.971 205 L HA -0.271 4.067 4.340 -0.004 0.000 0.215 205 L C 2.649 179.445 176.870 -0.124 0.000 1.072 205 L CA 1.676 56.285 54.840 -0.385 0.000 0.758 205 L CB -0.273 41.430 42.059 -0.593 0.000 0.889 205 L HN 0.157 nan 8.230 nan 0.000 0.433 206 R N -0.861 119.606 120.500 -0.056 0.000 2.096 206 R HA -0.233 4.105 4.340 -0.004 0.000 0.240 206 R C 2.215 178.537 176.300 0.037 0.000 1.139 206 R CA 1.555 57.650 56.100 -0.008 0.000 0.952 206 R CB -0.409 29.898 30.300 0.011 0.000 0.854 206 R HN 0.504 nan 8.270 nan 0.000 0.436 207 Q N -0.331 119.512 119.800 0.071 0.000 2.167 207 Q HA -0.177 4.161 4.340 -0.004 0.000 0.202 207 Q C 1.936 178.019 176.000 0.138 0.000 0.970 207 Q CA 1.513 57.370 55.803 0.091 0.000 0.855 207 Q CB -0.197 28.601 28.738 0.099 0.000 0.911 207 Q HN 0.487 nan 8.270 nan 0.000 0.438 208 H N -0.001 119.126 119.070 0.095 0.000 2.357 208 H HA -0.074 4.480 4.556 -0.004 0.000 0.301 208 H C 1.661 177.130 175.328 0.236 0.000 1.082 208 H CA 1.062 57.221 56.048 0.184 0.000 1.342 208 H CB 0.009 29.882 29.762 0.185 0.000 1.389 208 H HN 0.058 nan 8.280 nan 0.000 0.511 209 L N -0.108 121.134 121.223 0.031 0.000 2.083 209 L HA -0.114 4.224 4.340 -0.004 0.000 0.209 209 L C 2.343 179.237 176.870 0.040 0.000 1.083 209 L CA 1.104 55.943 54.840 -0.001 0.000 0.752 209 L CB -1.127 40.928 42.059 -0.008 0.000 0.899 209 L HN 0.357 nan 8.230 nan 0.000 0.433 210 L N -0.565 120.675 121.223 0.029 0.000 2.056 210 L HA -0.118 4.219 4.340 -0.004 0.000 0.207 210 L C 2.610 179.456 176.870 -0.040 0.000 1.078 210 L CA 1.454 56.301 54.840 0.011 0.000 0.749 210 L CB -0.492 41.575 42.059 0.014 0.000 0.901 210 L HN 0.185 nan 8.230 nan 0.000 0.433 211 R N -1.983 118.464 120.500 -0.088 0.000 2.249 211 R HA -0.203 4.135 4.340 -0.004 0.000 0.230 211 R C 1.028 177.033 176.300 -0.492 0.000 1.121 211 R CA 1.600 57.535 56.100 -0.275 0.000 0.997 211 R CB -0.381 29.732 30.300 -0.311 0.000 0.867 211 R HN 0.445 nan 8.270 nan 0.000 0.465 212 W N -0.974 120.246 121.300 -0.134 0.000 2.991 212 W HA 0.262 4.919 4.660 -0.004 0.000 0.391 212 W C 1.033 177.509 176.519 -0.072 0.000 1.054 212 W CA 0.356 57.623 57.345 -0.130 0.000 1.856 212 W CB 1.162 30.483 29.460 -0.232 0.000 1.132 212 W HN 0.241 nan 8.180 nan 0.000 0.601 213 G N 0.256 109.108 108.800 0.086 0.000 2.232 213 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.226 213 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.226 213 G C -0.060 174.897 174.900 0.095 0.000 0.996 213 G CA -0.333 44.819 45.100 0.086 0.000 0.626 213 G HN 0.060 nan 8.290 nan 0.000 0.509 214 L N 3.132 124.411 121.223 0.094 0.000 2.264 214 L HA 0.507 4.844 4.340 -0.004 0.000 0.287 214 L C 1.164 178.071 176.870 0.061 0.000 1.039 214 L CA -0.200 54.693 54.840 0.089 0.000 0.829 214 L CB 1.176 43.282 42.059 0.078 0.000 1.211 214 L HN 0.362 nan 8.230 nan 0.000 0.427 215 T N -0.133 114.457 114.554 0.060 0.000 2.868 215 T HA 0.634 4.982 4.350 -0.004 0.000 0.292 215 T C 0.215 174.936 174.700 0.036 0.000 1.028 215 T CA -0.443 61.682 62.100 0.041 0.000 1.059 215 T CB 1.619 70.509 68.868 0.035 0.000 0.991 215 T HN 0.674 nan 8.240 nan 0.000 0.531 216 T N -1.200 113.370 114.554 0.028 0.000 2.840 216 T HA 0.605 4.952 4.350 -0.004 0.000 0.317 216 T C -3.300 171.420 174.700 0.034 0.000 1.401 216 T CA -1.562 60.554 62.100 0.026 0.000 1.028 216 T CB 0.691 69.571 68.868 0.020 0.000 1.317 216 T HN 0.495 nan 8.240 nan 0.000 0.495 217 P HA 0.321 nan 4.420 nan 0.000 0.268 217 P C -0.632 176.731 177.300 0.104 0.000 1.205 217 P CA -0.077 63.074 63.100 0.083 0.000 0.771 217 P CB 0.176 31.940 31.700 0.107 0.000 0.858 218 D N 0.927 121.420 120.400 0.155 0.000 2.387 218 D HA 0.145 4.783 4.640 -0.004 0.000 0.251 218 D C 1.045 177.415 176.300 0.118 0.000 1.141 218 D CA -0.687 53.394 54.000 0.135 0.000 0.987 218 D CB 0.579 41.475 40.800 0.161 0.000 1.116 218 D HN -0.001 nan 8.370 nan 0.000 0.491 219 K N 0.235 120.681 120.400 0.078 0.000 2.163 219 K HA -0.281 4.037 4.320 -0.004 0.000 0.210 219 K C 1.598 178.210 176.600 0.020 0.000 1.048 219 K CA 1.589 57.909 56.287 0.056 0.000 0.928 219 K CB -0.279 32.247 32.500 0.044 0.000 0.716 219 K HN 0.602 nan 8.250 nan 0.000 0.459 220 K N -0.167 120.211 120.400 -0.037 0.000 2.365 220 K HA -0.069 4.248 4.320 -0.004 0.000 0.197 220 K C 0.718 177.138 176.600 -0.300 0.000 1.042 220 K CA 0.844 57.018 56.287 -0.188 0.000 0.987 220 K CB 0.131 32.453 32.500 -0.296 0.000 0.779 220 K HN 0.260 nan 8.250 nan 0.000 0.484 221 H N -0.332 118.766 119.070 0.046 0.000 2.528 221 H HA 0.203 4.757 4.556 -0.003 0.000 0.282 221 H C -0.631 174.734 175.328 0.062 0.000 1.097 221 H CA -0.373 55.704 56.048 0.049 0.000 1.121 221 H CB 0.679 30.466 29.762 0.041 0.000 1.590 221 H HN 0.091 nan 8.280 nan 0.000 0.553 222 Q N 1.463 121.347 119.800 0.141 0.000 2.294 222 Q HA 0.197 4.534 4.340 -0.004 0.000 0.257 222 Q C -0.247 175.843 176.000 0.149 0.000 0.955 222 Q CA -0.382 55.506 55.803 0.142 0.000 0.936 222 Q CB 1.493 30.309 28.738 0.130 0.000 1.188 222 Q HN 0.239 nan 8.270 nan 0.000 0.420 223 K N 1.755 122.268 120.400 0.188 0.000 2.336 223 K HA 0.069 4.386 4.320 -0.004 0.000 0.262 223 K C -0.065 176.691 176.600 0.259 0.000 0.992 223 K CA 0.131 56.545 56.287 0.211 0.000 0.927 223 K CB 0.537 33.193 32.500 0.260 0.000 0.956 223 K HN 0.384 nan 8.250 nan 0.000 0.495 224 E N 1.604 121.866 120.200 0.103 0.000 2.221 224 E HA 0.336 4.684 4.350 -0.004 0.000 0.268 224 E C -2.412 173.906 176.600 -0.471 0.000 0.933 224 E CA -2.427 53.930 56.400 -0.072 0.000 0.809 224 E CB 1.130 30.790 29.700 -0.068 0.000 1.190 224 E HN 0.316 nan 8.360 nan 0.000 0.406 225 P HA 0.126 nan 4.420 nan 0.000 0.269 225 P C -2.275 174.719 177.300 -0.509 0.000 1.209 225 P CA -0.824 61.647 63.100 -1.049 0.000 0.776 225 P CB -0.318 30.923 31.700 -0.765 0.000 0.876 226 P HA 0.186 nan 4.420 nan 0.000 0.276 226 P C -0.964 176.040 177.300 -0.495 0.000 1.235 226 P CA -0.016 62.681 63.100 -0.671 0.000 0.772 226 P CB 0.277 31.407 31.700 -0.951 0.000 0.871 227 F N 2.328 122.208 119.950 -0.116 0.000 2.427 227 F HA 0.239 4.763 4.527 -0.004 0.000 0.352 227 F C 0.681 176.505 175.800 0.040 0.000 1.100 227 F CA -0.517 57.464 58.000 -0.032 0.000 1.191 227 F CB 0.279 39.238 39.000 -0.068 0.000 1.128 227 F HN 0.064 nan 8.300 nan 0.000 0.533 228 L N 3.395 124.777 121.223 0.265 0.000 2.289 228 L HA 0.406 4.744 4.340 -0.004 0.000 0.285 228 L C -1.104 175.969 176.870 0.338 0.000 1.049 228 L CA -0.517 54.478 54.840 0.258 0.000 0.804 228 L CB 1.054 43.213 42.059 0.167 0.000 1.195 228 L HN 0.730 nan 8.230 nan 0.000 0.428 229 W N 6.098 127.471 121.300 0.121 0.000 3.544 229 W HA 0.443 5.102 4.660 -0.002 0.000 0.326 229 W C -0.733 175.861 176.519 0.125 0.000 1.137 229 W CA -0.855 56.528 57.345 0.065 0.000 1.252 229 W CB 1.051 30.474 29.460 -0.062 0.000 1.302 229 W HN 0.375 nan 8.180 nan 0.000 0.467 230 M N 5.402 124.670 119.600 -0.552 0.000 2.210 230 M HA -0.190 4.288 4.480 -0.004 0.000 0.198 230 M C 1.091 177.172 176.300 -0.365 0.000 0.319 230 M CA 1.983 56.885 55.300 -0.664 0.000 0.399 230 M CB -2.346 29.443 32.600 -1.352 0.000 1.227 230 M HN 1.555 nan 8.290 nan 0.000 0.931 231 G N -1.874 106.799 108.800 -0.212 0.000 2.157 231 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.239 231 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.239 231 G C -0.351 174.595 174.900 0.077 0.000 0.982 231 G CA 0.245 45.224 45.100 -0.201 0.000 0.650 231 G HN 0.573 nan 8.290 nan 0.000 0.527 232 Y N -0.347 120.153 120.300 0.332 0.000 2.598 232 Y HA 0.717 5.265 4.550 -0.003 0.000 0.340 232 Y C 0.314 176.422 175.900 0.347 0.000 1.038 232 Y CA -1.212 57.128 58.100 0.399 0.000 1.100 232 Y CB 1.638 40.328 38.460 0.383 0.000 1.281 232 Y HN 0.101 nan 8.280 nan 0.000 0.488 233 E N 1.934 122.475 120.200 0.569 0.000 2.145 233 E HA 0.483 4.831 4.350 -0.004 0.000 0.262 233 E C -1.830 175.055 176.600 0.475 0.000 0.883 233 E CA -0.390 56.262 56.400 0.421 0.000 0.748 233 E CB 0.677 30.626 29.700 0.415 0.000 1.140 233 E HN 0.552 nan 8.360 nan 0.000 0.417 234 L N 5.755 127.172 121.223 0.323 0.000 2.277 234 L HA 0.408 4.746 4.340 -0.004 0.000 0.284 234 L C 0.173 177.159 176.870 0.193 0.000 1.028 234 L CA -0.637 54.421 54.840 0.362 0.000 0.835 234 L CB 0.551 42.783 42.059 0.288 0.000 1.215 234 L HN 0.503 nan 8.230 nan 0.000 0.425 235 H N 2.790 122.000 119.070 0.233 0.000 2.517 235 H HA 0.232 4.785 4.556 -0.006 0.000 0.346 235 H C -1.596 173.847 175.328 0.192 0.000 1.222 235 H CA -1.817 54.297 56.048 0.111 0.000 1.314 235 H CB 1.512 31.295 29.762 0.036 0.000 1.609 235 H HN 0.281 nan 8.280 nan 0.000 0.571 236 P HA -0.165 nan 4.420 nan 0.000 0.215 236 P C 0.166 177.626 177.300 0.267 0.000 1.157 236 P CA 1.781 64.978 63.100 0.161 0.000 0.874 236 P CB 0.110 31.850 31.700 0.067 0.000 0.790 237 D N -2.419 118.138 120.400 0.260 0.000 2.804 237 D HA 0.180 4.818 4.640 -0.004 0.000 0.308 237 D C 0.052 176.416 176.300 0.107 0.000 1.371 237 D CA -0.552 53.622 54.000 0.289 0.000 0.823 237 D CB -0.004 40.877 40.800 0.136 0.000 1.126 237 D HN 0.202 nan 8.370 nan 0.000 0.467 238 K N -1.176 119.261 120.400 0.062 0.000 2.735 238 K HA 0.487 4.804 4.320 -0.004 0.000 0.295 238 K C -1.633 174.940 176.600 -0.045 0.000 1.052 238 K CA -1.195 54.935 56.287 -0.261 0.000 0.853 238 K CB 1.234 33.501 32.500 -0.388 0.000 1.535 238 K HN 0.192 nan 8.250 nan 0.000 0.383 239 W N -0.105 121.071 121.300 -0.207 0.000 3.137 239 W HA 0.700 5.356 4.660 -0.006 0.000 0.324 239 W C -1.867 174.702 176.519 0.083 0.000 1.253 239 W CA -0.765 56.596 57.345 0.027 0.000 1.183 239 W CB 1.405 30.861 29.460 -0.007 0.000 1.424 239 W HN 0.855 nan 8.180 nan 0.000 0.566 240 T N 0.263 115.008 114.554 0.318 0.000 2.762 240 T HA 0.503 4.851 4.350 -0.004 0.000 0.301 240 T C -0.584 174.435 174.700 0.531 0.000 1.299 240 T CA -0.141 62.029 62.100 0.116 0.000 1.005 240 T CB 1.057 69.945 68.868 0.032 0.000 1.377 240 T HN 0.951 nan 8.240 nan 0.000 0.504 241 V N 0.997 121.167 119.914 0.427 0.000 3.185 241 V HA 0.531 4.649 4.120 -0.004 0.000 0.305 241 V C 0.536 176.851 176.094 0.368 0.000 1.090 241 V CA -0.563 61.995 62.300 0.431 0.000 1.107 241 V CB 0.192 32.178 31.823 0.272 0.000 1.061 241 V HN 0.986 nan 8.190 nan 0.000 0.480 242 Q N 2.205 122.211 119.800 0.345 0.000 2.417 242 Q HA 0.335 4.673 4.340 -0.004 0.000 0.241 242 Q C -2.241 173.870 176.000 0.184 0.000 1.008 242 Q CA -1.524 54.421 55.803 0.236 0.000 0.901 242 Q CB 0.713 29.549 28.738 0.163 0.000 1.259 242 Q HN 0.733 nan 8.270 nan 0.000 0.489 243 P HA -0.023 nan 4.420 nan 0.000 0.264 243 P C -0.989 176.350 177.300 0.064 0.000 1.193 243 P CA 0.894 64.053 63.100 0.098 0.000 0.763 243 P CB 0.318 32.066 31.700 0.079 0.000 0.810 244 I N 3.191 123.782 120.570 0.035 0.000 2.362 244 I HA 0.264 4.432 4.170 -0.004 0.000 0.289 244 I C 0.162 176.275 176.117 -0.007 0.000 0.994 244 I CA -1.029 60.278 61.300 0.011 0.000 1.158 244 I CB 2.261 40.251 38.000 -0.016 0.000 1.315 244 I HN 0.075 nan 8.210 nan 0.000 0.451 245 V N 8.285 128.203 119.914 0.006 0.000 2.326 245 V HA 0.399 4.517 4.120 -0.004 0.000 0.281 245 V C -0.114 175.996 176.094 0.028 0.000 1.015 245 V CA -0.486 61.820 62.300 0.010 0.000 0.823 245 V CB 1.154 32.983 31.823 0.010 0.000 1.009 245 V HN 0.515 nan 8.190 nan 0.000 0.436 246 L N 9.823 131.067 121.223 0.036 0.000 2.433 246 L HA 0.344 4.682 4.340 -0.004 0.000 0.275 246 L C -1.674 175.266 176.870 0.117 0.000 1.128 246 L CA -1.368 53.526 54.840 0.090 0.000 0.875 246 L CB 0.674 42.778 42.059 0.075 0.000 1.171 246 L HN 0.503 nan 8.230 nan 0.000 0.463 247 P HA 0.049 nan 4.420 nan 0.000 0.268 247 P C -0.644 176.680 177.300 0.040 0.000 1.204 247 P CA -0.177 62.945 63.100 0.036 0.000 0.768 247 P CB 0.711 32.375 31.700 -0.060 0.000 0.842 248 E N 3.215 123.399 120.200 -0.027 0.000 2.259 248 E HA 0.260 4.608 4.350 -0.004 0.000 0.281 248 E C -0.127 176.357 176.600 -0.193 0.000 1.037 248 E CA -0.092 56.290 56.400 -0.030 0.000 0.854 248 E CB 1.132 30.824 29.700 -0.014 0.000 1.051 248 E HN 0.417 nan 8.360 nan 0.000 0.409 249 K N 2.070 122.309 120.400 -0.270 0.000 2.542 249 K HA 0.159 4.477 4.320 -0.004 0.000 0.259 249 K C -0.427 176.009 176.600 -0.274 0.000 0.932 249 K CA -0.661 55.343 56.287 -0.472 0.000 0.820 249 K CB 1.738 33.569 32.500 -1.115 0.000 1.345 249 K HN 0.160 nan 8.250 nan 0.000 0.432 250 D N 0.443 120.731 120.400 -0.186 0.000 2.149 250 D HA -0.031 4.607 4.640 -0.004 0.000 0.201 250 D C -0.127 176.140 176.300 -0.055 0.000 0.972 250 D CA 1.247 55.207 54.000 -0.066 0.000 0.835 250 D CB 0.333 41.102 40.800 -0.052 0.000 0.966 250 D HN 0.226 nan 8.370 nan 0.000 0.476 251 S N -0.165 115.428 115.700 -0.178 0.000 2.561 251 S HA 0.385 4.852 4.470 -0.004 0.000 0.303 251 S C -1.108 173.357 174.600 -0.225 0.000 1.110 251 S CA -0.783 57.363 58.200 -0.090 0.000 1.034 251 S CB 1.253 64.420 63.200 -0.054 0.000 1.010 251 S HN 0.094 nan 8.310 nan 0.000 0.482 252 W N 2.379 123.672 121.300 -0.012 0.000 2.433 252 W HA 0.478 5.135 4.660 -0.004 0.000 0.315 252 W C 0.864 177.376 176.519 -0.013 0.000 1.087 252 W CA -0.569 56.768 57.345 -0.013 0.000 1.205 252 W CB 1.029 30.480 29.460 -0.014 0.000 1.288 252 W HN 0.614 nan 8.180 nan 0.000 0.504 253 T N -1.310 113.346 114.554 0.170 0.000 2.934 253 T HA 0.271 4.619 4.350 -0.004 0.000 0.283 253 T C 0.936 175.713 174.700 0.127 0.000 1.005 253 T CA -0.799 61.367 62.100 0.108 0.000 1.041 253 T CB 1.353 70.247 68.868 0.044 0.000 1.042 253 T HN 0.229 nan 8.240 nan 0.000 0.505 254 V N 1.961 121.923 119.914 0.079 0.000 2.250 254 V HA -0.299 3.818 4.120 -0.004 0.000 0.253 254 V C 2.895 179.027 176.094 0.063 0.000 1.065 254 V CA 2.581 64.917 62.300 0.060 0.000 1.039 254 V CB -1.192 30.651 31.823 0.034 0.000 0.647 254 V HN 1.075 nan 8.190 nan 0.000 0.446 255 N N -0.265 118.466 118.700 0.051 0.000 2.094 255 N HA -0.249 4.489 4.740 -0.004 0.000 0.191 255 N C 1.513 177.067 175.510 0.074 0.000 1.023 255 N CA 1.850 54.926 53.050 0.044 0.000 0.857 255 N CB -0.120 38.381 38.487 0.023 0.000 1.013 255 N HN 0.538 nan 8.380 nan 0.000 0.426 256 D N 0.643 121.114 120.400 0.119 0.000 2.144 256 D HA -0.061 4.576 4.640 -0.004 0.000 0.200 256 D C 2.021 178.501 176.300 0.299 0.000 0.978 256 D CA 0.676 54.801 54.000 0.209 0.000 0.833 256 D CB -0.101 40.847 40.800 0.247 0.000 0.961 256 D HN 0.457 nan 8.370 nan 0.000 0.470 257 I N 0.702 121.411 120.570 0.232 0.000 2.500 257 I HA -0.193 3.975 4.170 -0.004 0.000 0.252 257 I C 2.400 178.541 176.117 0.040 0.000 1.142 257 I CA 0.687 62.044 61.300 0.095 0.000 1.451 257 I CB -0.151 37.867 38.000 0.031 0.000 1.093 257 I HN -0.080 nan 8.210 nan 0.000 0.430 258 Q N 1.000 120.829 119.800 0.048 0.000 2.079 258 Q HA -0.209 4.129 4.340 -0.004 0.000 0.200 258 Q C 2.169 178.186 176.000 0.028 0.000 0.974 258 Q CA 1.477 57.295 55.803 0.026 0.000 0.840 258 Q CB -0.038 28.712 28.738 0.021 0.000 0.898 258 Q HN 0.444 nan 8.270 nan 0.000 0.430 259 K N 0.316 120.744 120.400 0.046 0.000 2.097 259 K HA -0.136 4.181 4.320 -0.004 0.000 0.205 259 K C 2.013 178.642 176.600 0.048 0.000 1.050 259 K CA 0.729 57.038 56.287 0.037 0.000 0.938 259 K CB -0.140 32.385 32.500 0.041 0.000 0.718 259 K HN 0.056 nan 8.250 nan 0.000 0.442 260 L N 0.919 122.188 121.223 0.076 0.000 2.017 260 L HA -0.161 4.177 4.340 -0.004 0.000 0.208 260 L C 1.899 178.773 176.870 0.007 0.000 1.073 260 L CA 1.600 56.471 54.840 0.053 0.000 0.745 260 L CB -0.347 41.727 42.059 0.025 0.000 0.894 260 L HN -0.096 nan 8.230 nan 0.000 0.432 261 V N 0.230 120.141 119.914 -0.005 0.000 2.407 261 V HA -0.175 3.943 4.120 -0.004 0.000 0.248 261 V C 2.617 178.726 176.094 0.025 0.000 1.055 261 V CA 1.658 63.954 62.300 -0.006 0.000 1.049 261 V CB -1.617 30.199 31.823 -0.012 0.000 0.662 261 V HN 0.643 nan 8.190 nan 0.000 0.455 262 G N -0.349 108.469 108.800 0.031 0.000 2.408 262 G HA2 -0.199 3.758 3.960 -0.004 0.000 0.217 262 G HA3 -0.199 3.758 3.960 -0.004 0.000 0.217 262 G C 1.678 176.629 174.900 0.086 0.000 1.150 262 G CA 0.584 45.713 45.100 0.048 0.000 0.776 262 G HN 0.465 nan 8.290 nan 0.000 0.542 263 K N -0.575 119.863 120.400 0.063 0.000 2.103 263 K HA 0.072 4.390 4.320 -0.004 0.000 0.204 263 K C 2.362 179.027 176.600 0.108 0.000 1.052 263 K CA 0.352 56.694 56.287 0.091 0.000 0.945 263 K CB -0.192 32.336 32.500 0.047 0.000 0.722 263 K HN 0.121 nan 8.250 nan 0.000 0.443 264 L N 2.021 123.277 121.223 0.054 0.000 1.994 264 L HA -0.175 4.163 4.340 -0.004 0.000 0.208 264 L C 1.837 178.743 176.870 0.060 0.000 1.071 264 L CA 1.646 56.502 54.840 0.025 0.000 0.745 264 L CB -1.129 40.925 42.059 -0.008 0.000 0.892 264 L HN 0.191 nan 8.230 nan 0.000 0.431 265 N N -1.177 117.575 118.700 0.086 0.000 2.094 265 N HA -0.284 4.454 4.740 -0.004 0.000 0.191 265 N C 1.728 177.332 175.510 0.158 0.000 1.023 265 N CA 1.347 54.462 53.050 0.108 0.000 0.857 265 N CB -0.448 38.108 38.487 0.116 0.000 1.013 265 N HN 0.512 nan 8.380 nan 0.000 0.426 266 W N 1.756 123.066 121.300 0.016 0.000 2.363 266 W HA -0.110 4.548 4.660 -0.004 0.000 0.296 266 W C 1.903 178.464 176.519 0.069 0.000 1.212 266 W CA 1.574 58.932 57.345 0.023 0.000 1.260 266 W CB -0.090 29.351 29.460 -0.031 0.000 1.131 266 W HN 0.052 nan 8.180 nan 0.000 0.530 267 A N 0.410 123.283 122.820 0.088 0.000 2.015 267 A HA -0.184 4.134 4.320 -0.004 0.000 0.219 267 A C 1.908 179.537 177.584 0.075 0.000 1.163 267 A CA 1.845 53.902 52.037 0.033 0.000 0.646 267 A CB -1.134 17.822 19.000 -0.075 0.000 0.806 267 A HN 0.324 nan 8.150 nan 0.000 0.448 268 S N -0.473 115.249 115.700 0.037 0.000 2.603 268 S HA -0.108 4.360 4.470 -0.004 0.000 0.229 268 S C 1.493 176.098 174.600 0.009 0.000 0.972 268 S CA 0.832 59.053 58.200 0.035 0.000 0.935 268 S CB -0.420 62.789 63.200 0.016 0.000 0.769 268 S HN 0.678 nan 8.310 nan 0.000 0.536 269 Q N -0.376 119.428 119.800 0.007 0.000 2.291 269 Q HA 0.109 4.446 4.340 -0.004 0.000 0.205 269 Q C 1.416 177.503 176.000 0.146 0.000 0.970 269 Q CA 1.203 57.055 55.803 0.081 0.000 0.876 269 Q CB -0.063 28.733 28.738 0.095 0.000 0.935 269 Q HN 0.686 nan 8.270 nan 0.000 0.455 270 I N -2.713 117.893 120.570 0.061 0.000 5.080 270 I HA 0.049 4.217 4.170 -0.004 0.000 0.356 270 I C -0.968 175.014 176.117 -0.226 0.000 1.231 270 I CA -0.069 61.164 61.300 -0.111 0.000 1.458 270 I CB 0.967 38.758 38.000 -0.349 0.000 1.672 270 I HN -0.130 nan 8.210 nan 0.000 0.568 271 Y N 4.178 124.416 120.300 -0.103 0.000 2.477 271 Y HA 0.482 5.030 4.550 -0.003 0.000 0.349 271 Y C -2.120 173.729 175.900 -0.086 0.000 0.977 271 Y CA -2.464 55.579 58.100 -0.095 0.000 1.214 271 Y CB 0.237 38.655 38.460 -0.071 0.000 1.124 271 Y HN 0.045 nan 8.280 nan 0.000 0.521 272 P HA 0.122 nan 4.420 nan 0.000 0.271 272 P C 0.678 177.974 177.300 -0.006 0.000 1.220 272 P CA 0.559 63.640 63.100 -0.031 0.000 0.768 272 P CB 0.864 32.527 31.700 -0.062 0.000 0.848 273 G N 2.775 111.567 108.800 -0.014 0.000 2.136 273 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.242 273 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.242 273 G C 0.216 175.110 174.900 -0.010 0.000 0.989 273 G CA -0.619 44.472 45.100 -0.015 0.000 0.682 273 G HN 0.452 nan 8.290 nan 0.000 0.522 274 I N 0.468 121.039 120.570 0.002 0.000 2.752 274 I HA 0.204 4.372 4.170 -0.004 0.000 0.287 274 I C 0.835 176.941 176.117 -0.018 0.000 1.188 274 I CA 0.936 62.231 61.300 -0.007 0.000 1.427 274 I CB 0.603 38.604 38.000 0.002 0.000 1.365 274 I HN 0.153 nan 8.210 nan 0.000 0.585 275 K N 4.582 124.963 120.400 -0.031 0.000 2.435 275 K HA 0.558 4.876 4.320 -0.004 0.000 0.251 275 K C -0.165 176.408 176.600 -0.046 0.000 0.954 275 K CA -0.533 55.732 56.287 -0.038 0.000 0.820 275 K CB 2.963 35.433 32.500 -0.050 0.000 1.292 275 K HN 0.423 nan 8.250 nan 0.000 0.436 276 V N -1.528 118.359 119.914 -0.045 0.000 3.355 276 V HA 0.204 4.321 4.120 -0.004 0.000 0.330 276 V C 1.347 177.408 176.094 -0.056 0.000 1.479 276 V CA -0.255 62.013 62.300 -0.053 0.000 1.150 276 V CB 0.377 32.178 31.823 -0.038 0.000 1.044 276 V HN 0.783 nan 8.190 nan 0.000 0.501 277 R N 0.351 120.817 120.500 -0.056 0.000 2.083 277 R HA -0.122 4.216 4.340 -0.004 0.000 0.237 277 R C 2.137 178.400 176.300 -0.062 0.000 1.137 277 R CA 2.307 58.373 56.100 -0.057 0.000 0.951 277 R CB 0.006 30.270 30.300 -0.060 0.000 0.851 277 R HN 0.531 nan 8.270 nan 0.000 0.434 278 Q N 0.255 120.013 119.800 -0.070 0.000 2.230 278 Q HA -0.041 4.297 4.340 -0.004 0.000 0.202 278 Q C 2.139 178.087 176.000 -0.088 0.000 0.963 278 Q CA 0.898 56.656 55.803 -0.075 0.000 0.866 278 Q CB 0.001 28.692 28.738 -0.078 0.000 0.931 278 Q HN 0.389 nan 8.270 nan 0.000 0.452 279 L N -0.995 120.168 121.223 -0.099 0.000 2.023 279 L HA -0.153 4.184 4.340 -0.004 0.000 0.205 279 L C 2.518 179.337 176.870 -0.084 0.000 1.073 279 L CA 0.795 55.565 54.840 -0.118 0.000 0.745 279 L CB -0.601 41.374 42.059 -0.141 0.000 0.900 279 L HN 0.158 nan 8.230 nan 0.000 0.435 280 C N 0.069 119.330 119.300 -0.065 0.000 2.403 280 C HA -0.199 4.258 4.460 -0.004 0.000 0.277 280 C C 2.822 177.787 174.990 -0.042 0.000 1.248 280 C CA 0.829 59.819 59.018 -0.047 0.000 1.762 280 C CB -0.809 26.908 27.740 -0.039 0.000 2.014 280 C HN 0.402 nan 8.230 nan 0.000 0.486 281 K N 0.013 120.385 120.400 -0.047 0.000 2.074 281 K HA -0.193 4.125 4.320 -0.004 0.000 0.209 281 K C 1.748 178.326 176.600 -0.036 0.000 1.048 281 K CA 1.251 57.514 56.287 -0.040 0.000 0.926 281 K CB -0.330 32.144 32.500 -0.044 0.000 0.713 281 K HN 0.315 nan 8.250 nan 0.000 0.444 282 L N 0.589 121.786 121.223 -0.044 0.000 2.079 282 L HA -0.198 4.139 4.340 -0.004 0.000 0.210 282 L C 2.058 178.914 176.870 -0.023 0.000 1.081 282 L CA 1.402 56.219 54.840 -0.037 0.000 0.752 282 L CB -0.676 41.351 42.059 -0.054 0.000 0.896 282 L HN 0.140 nan 8.230 nan 0.000 0.433 283 L N -1.032 120.177 121.223 -0.024 0.000 2.275 283 L HA -0.054 4.283 4.340 -0.004 0.000 0.215 283 L C 1.468 178.332 176.870 -0.010 0.000 1.119 283 L CA 0.778 55.610 54.840 -0.013 0.000 0.790 283 L CB -0.830 41.220 42.059 -0.014 0.000 0.919 283 L HN 0.192 nan 8.230 nan 0.000 0.443 284 R N -0.582 119.910 120.500 -0.014 0.000 2.811 284 R HA 0.331 4.669 4.340 -0.004 0.000 0.265 284 R C 0.797 177.092 176.300 -0.007 0.000 1.026 284 R CA 0.793 56.886 56.100 -0.011 0.000 1.142 284 R CB -0.294 29.997 30.300 -0.015 0.000 1.027 284 R HN 0.315 nan 8.270 nan 0.000 0.465 285 G N -0.256 108.540 108.800 -0.005 0.000 2.757 285 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.638 285 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.638 285 G C -0.754 174.146 174.900 -0.001 0.000 1.344 285 G CA -0.222 44.876 45.100 -0.003 0.000 0.855 285 G HN 0.614 nan 8.290 nan 0.000 0.537 286 T N 0.520 115.074 114.554 0.000 0.000 2.912 286 T HA 0.667 5.014 4.350 -0.004 0.000 0.326 286 T C -0.130 174.572 174.700 0.003 0.000 1.080 286 T CA -0.131 61.969 62.100 0.001 0.000 1.000 286 T CB 0.037 68.905 68.868 0.001 0.000 1.008 286 T HN 0.708 nan 8.240 nan 0.000 0.473 287 K N 2.143 122.546 120.400 0.004 0.000 2.466 287 K HA 0.823 5.140 4.320 -0.004 0.000 0.260 287 K C -0.572 176.032 176.600 0.006 0.000 1.011 287 K CA -1.167 55.123 56.287 0.006 0.000 0.871 287 K CB 2.002 34.508 32.500 0.009 0.000 1.404 287 K HN 0.563 nan 8.250 nan 0.000 0.450 288 A N 1.032 123.855 122.820 0.006 0.000 2.287 288 A HA 0.269 4.587 4.320 -0.004 0.000 0.273 288 A C 1.247 178.837 177.584 0.009 0.000 1.091 288 A CA -0.452 51.588 52.037 0.005 0.000 0.817 288 A CB -0.129 18.872 19.000 0.003 0.000 1.069 288 A HN 0.873 nan 8.150 nan 0.000 0.492 289 L N -1.099 120.128 121.223 0.008 0.000 2.191 289 L HA -0.061 4.277 4.340 -0.004 0.000 0.212 289 L C 1.547 178.426 176.870 0.014 0.000 1.103 289 L CA 2.249 57.096 54.840 0.012 0.000 0.769 289 L CB -1.283 40.781 42.059 0.007 0.000 0.908 289 L HN 0.594 nan 8.230 nan 0.000 0.438 290 T N -0.047 114.512 114.554 0.008 0.000 3.085 290 T HA 0.031 4.379 4.350 -0.004 0.000 0.263 290 T C 0.603 175.309 174.700 0.010 0.000 1.127 290 T CA 0.351 62.454 62.100 0.005 0.000 1.103 290 T CB -0.272 68.595 68.868 -0.001 0.000 0.921 290 T HN 0.442 nan 8.240 nan 0.000 0.510 291 E N 1.859 122.068 120.200 0.016 0.000 2.316 291 E HA 0.224 4.572 4.350 -0.004 0.000 0.275 291 E C -0.457 176.164 176.600 0.034 0.000 1.029 291 E CA -0.184 56.228 56.400 0.020 0.000 0.871 291 E CB 1.518 31.229 29.700 0.018 0.000 1.022 291 E HN 0.033 nan 8.360 nan 0.000 0.418 292 V N 4.714 124.649 119.914 0.035 0.000 2.530 292 V HA 0.094 4.211 4.120 -0.004 0.000 0.282 292 V C 0.322 176.454 176.094 0.063 0.000 1.048 292 V CA -0.251 62.082 62.300 0.056 0.000 0.997 292 V CB 0.644 32.492 31.823 0.042 0.000 0.987 292 V HN 0.471 nan 8.190 nan 0.000 0.477 293 I N 6.983 127.609 120.570 0.092 0.000 2.362 293 I HA 0.395 4.562 4.170 -0.004 0.000 0.289 293 I C -2.369 173.800 176.117 0.087 0.000 0.994 293 I CA -2.688 58.654 61.300 0.070 0.000 1.158 293 I CB 1.403 39.434 38.000 0.052 0.000 1.315 293 I HN 0.399 nan 8.210 nan 0.000 0.451 294 P HA 0.141 nan 4.420 nan 0.000 0.267 294 P C -0.179 177.137 177.300 0.025 0.000 1.205 294 P CA -0.224 62.910 63.100 0.056 0.000 0.765 294 P CB 0.516 32.237 31.700 0.034 0.000 0.828 295 L N 3.234 124.469 121.223 0.019 0.000 2.462 295 L HA 0.084 4.422 4.340 -0.004 0.000 0.272 295 L C 1.548 178.397 176.870 -0.035 0.000 1.166 295 L CA 0.194 55.004 54.840 -0.050 0.000 0.880 295 L CB 0.197 42.200 42.059 -0.093 0.000 1.142 295 L HN 0.510 nan 8.230 nan 0.000 0.473 296 T N -0.487 114.039 114.554 -0.048 0.000 2.667 296 T HA -0.033 4.315 4.350 -0.004 0.000 0.305 296 T C 0.990 175.665 174.700 -0.041 0.000 1.022 296 T CA -0.335 61.743 62.100 -0.037 0.000 0.995 296 T CB 1.068 69.911 68.868 -0.041 0.000 1.026 296 T HN 0.621 nan 8.240 nan 0.000 0.527 297 E N 0.407 120.587 120.200 -0.033 0.000 2.107 297 E HA -0.120 4.228 4.350 -0.004 0.000 0.191 297 E C 2.146 178.721 176.600 -0.042 0.000 0.982 297 E CA 1.192 57.573 56.400 -0.032 0.000 0.809 297 E CB -0.159 29.526 29.700 -0.024 0.000 0.756 297 E HN 0.759 nan 8.360 nan 0.000 0.459 298 E N 0.259 120.432 120.200 -0.046 0.000 2.208 298 E HA -0.080 4.267 4.350 -0.004 0.000 0.193 298 E C 1.895 178.454 176.600 -0.068 0.000 0.988 298 E CA 1.019 57.387 56.400 -0.053 0.000 0.828 298 E CB -0.401 29.269 29.700 -0.051 0.000 0.763 298 E HN 0.294 nan 8.360 nan 0.000 0.478 299 A N 1.445 124.217 122.820 -0.080 0.000 1.929 299 A HA -0.131 4.187 4.320 -0.004 0.000 0.216 299 A C 2.120 179.629 177.584 -0.125 0.000 1.176 299 A CA 1.422 53.392 52.037 -0.111 0.000 0.628 299 A CB -0.345 18.578 19.000 -0.129 0.000 0.816 299 A HN 0.181 nan 8.150 nan 0.000 0.444 300 E N 0.266 120.407 120.200 -0.098 0.000 2.106 300 E HA -0.092 4.256 4.350 -0.004 0.000 0.192 300 E C 1.849 178.408 176.600 -0.068 0.000 0.984 300 E CA 1.008 57.358 56.400 -0.084 0.000 0.806 300 E CB -0.332 29.339 29.700 -0.049 0.000 0.750 300 E HN 0.624 nan 8.360 nan 0.000 0.458 301 L N 0.041 121.228 121.223 -0.060 0.000 2.093 301 L HA -0.112 4.225 4.340 -0.004 0.000 0.208 301 L C 2.565 179.398 176.870 -0.061 0.000 1.085 301 L CA 1.419 56.228 54.840 -0.052 0.000 0.755 301 L CB -0.418 41.613 42.059 -0.046 0.000 0.904 301 L HN 0.208 nan 8.230 nan 0.000 0.435 302 E N 0.627 120.781 120.200 -0.076 0.000 2.047 302 E HA -0.228 4.119 4.350 -0.004 0.000 0.191 302 E C 2.385 178.931 176.600 -0.090 0.000 0.987 302 E CA 0.848 57.199 56.400 -0.081 0.000 0.799 302 E CB -0.009 29.636 29.700 -0.091 0.000 0.752 302 E HN 0.382 nan 8.360 nan 0.000 0.449 303 L N 0.291 121.444 121.223 -0.117 0.000 2.127 303 L HA -0.212 4.126 4.340 -0.004 0.000 0.211 303 L C 2.335 179.160 176.870 -0.075 0.000 1.089 303 L CA 1.300 56.065 54.840 -0.126 0.000 0.757 303 L CB -0.270 41.677 42.059 -0.186 0.000 0.899 303 L HN 0.207 nan 8.230 nan 0.000 0.434 304 A N -0.477 122.307 122.820 -0.059 0.000 1.873 304 A HA -0.276 4.042 4.320 -0.004 0.000 0.215 304 A C 2.144 179.707 177.584 -0.035 0.000 1.186 304 A CA 1.665 53.680 52.037 -0.036 0.000 0.616 304 A CB -0.565 18.418 19.000 -0.030 0.000 0.823 304 A HN 0.526 nan 8.150 nan 0.000 0.442 305 E N -0.089 120.087 120.200 -0.042 0.000 2.153 305 E HA -0.206 4.142 4.350 -0.004 0.000 0.194 305 E C 1.620 178.198 176.600 -0.037 0.000 0.988 305 E CA 1.332 57.710 56.400 -0.038 0.000 0.811 305 E CB -0.078 29.597 29.700 -0.042 0.000 0.746 305 E HN 0.557 nan 8.360 nan 0.000 0.466 306 N N 0.211 118.883 118.700 -0.047 0.000 2.270 306 N HA -0.114 4.624 4.740 -0.004 0.000 0.181 306 N C 1.766 177.246 175.510 -0.051 0.000 1.016 306 N CA 0.678 53.698 53.050 -0.051 0.000 0.870 306 N CB -0.187 38.261 38.487 -0.065 0.000 0.979 306 N HN 0.047 nan 8.380 nan 0.000 0.431 307 R N 1.565 122.040 120.500 -0.041 0.000 2.096 307 R HA -0.109 4.228 4.340 -0.004 0.000 0.235 307 R C 1.960 178.246 176.300 -0.024 0.000 1.127 307 R CA 1.361 57.443 56.100 -0.030 0.000 0.968 307 R CB -0.171 30.120 30.300 -0.014 0.000 0.861 307 R HN 0.325 nan 8.270 nan 0.000 0.440 308 E N -0.122 120.067 120.200 -0.019 0.000 2.112 308 E HA -0.074 4.274 4.350 -0.004 0.000 0.190 308 E C 1.676 178.276 176.600 0.001 0.000 0.979 308 E CA 1.312 57.706 56.400 -0.010 0.000 0.814 308 E CB -0.199 29.494 29.700 -0.012 0.000 0.762 308 E HN 0.443 nan 8.360 nan 0.000 0.460 309 I N 0.238 120.809 120.570 0.003 0.000 2.315 309 I HA -0.172 3.996 4.170 -0.004 0.000 0.248 309 I C 1.569 177.737 176.117 0.085 0.000 1.117 309 I CA 0.445 61.772 61.300 0.044 0.000 1.404 309 I CB -0.151 37.876 38.000 0.045 0.000 1.071 309 I HN 0.216 nan 8.210 nan 0.000 0.419 310 L N 0.550 121.754 121.223 -0.031 0.000 2.395 310 L HA -0.053 4.285 4.340 -0.004 0.000 0.218 310 L C 2.168 179.026 176.870 -0.020 0.000 1.130 310 L CA 1.310 56.061 54.840 -0.148 0.000 0.826 310 L CB -1.043 40.878 42.059 -0.230 0.000 0.941 310 L HN 0.061 nan 8.230 nan 0.000 0.451 311 K N 0.700 121.108 120.400 0.013 0.000 1.988 311 K HA -0.171 4.147 4.320 -0.004 0.000 0.221 311 K C 0.938 177.564 176.600 0.045 0.000 1.053 311 K CA 1.361 57.660 56.287 0.020 0.000 0.959 311 K CB -0.281 32.227 32.500 0.014 0.000 0.728 311 K HN 0.315 nan 8.250 nan 0.000 0.447 312 E N 1.828 122.063 120.200 0.058 0.000 2.301 312 E HA 0.134 4.482 4.350 -0.004 0.000 0.275 312 E C -2.515 174.154 176.600 0.115 0.000 1.030 312 E CA -2.267 54.166 56.400 0.056 0.000 0.852 312 E CB 0.471 30.181 29.700 0.016 0.000 1.060 312 E HN 0.068 nan 8.360 nan 0.000 0.401 313 P HA 0.134 nan 4.420 nan 0.000 0.275 313 P C -0.506 176.751 177.300 -0.071 0.000 1.227 313 P CA -0.373 62.801 63.100 0.124 0.000 0.781 313 P CB 1.023 32.780 31.700 0.095 0.000 0.906 314 V N 3.553 123.287 119.914 -0.299 0.000 2.960 314 V HA 0.504 4.622 4.120 -0.004 0.000 0.315 314 V C 0.312 176.081 176.094 -0.542 0.000 1.087 314 V CA -0.606 61.320 62.300 -0.622 0.000 0.982 314 V CB 1.769 32.992 31.823 -1.001 0.000 1.039 314 V HN 0.795 nan 8.190 nan 0.000 0.437 315 H N 0.519 119.308 119.070 -0.467 0.000 2.946 315 H HA 0.799 5.354 4.556 -0.002 0.000 0.365 315 H C -0.394 174.534 175.328 -0.666 0.000 1.197 315 H CA -0.729 54.990 56.048 -0.549 0.000 1.131 315 H CB 2.312 31.822 29.762 -0.421 0.000 1.849 315 H HN 0.821 nan 8.280 nan 0.000 0.555 316 G N 0.328 108.584 108.800 -0.905 0.000 2.471 316 G HA2 0.506 4.464 3.960 -0.004 0.000 0.332 316 G HA3 0.506 4.464 3.960 -0.004 0.000 0.332 316 G C 0.009 174.614 174.900 -0.492 0.000 1.176 316 G CA -0.345 44.261 45.100 -0.824 0.000 0.949 316 G HN 0.667 nan 8.290 nan 0.000 0.488 317 V N -1.533 118.319 119.914 -0.103 0.000 3.302 317 V HA 0.714 4.832 4.120 -0.004 0.000 0.316 317 V C -0.430 175.722 176.094 0.098 0.000 1.111 317 V CA -1.285 60.983 62.300 -0.054 0.000 1.029 317 V CB 0.904 32.750 31.823 0.039 0.000 1.170 317 V HN 0.567 nan 8.190 nan 0.000 0.452 318 Y N -0.792 119.700 120.300 0.321 0.000 2.496 318 Y HA 0.557 5.102 4.550 -0.007 0.000 0.325 318 Y C -0.223 175.867 175.900 0.316 0.000 1.271 318 Y CA -0.853 57.441 58.100 0.322 0.000 1.368 318 Y CB 0.666 39.254 38.460 0.214 0.000 1.415 318 Y HN 0.710 nan 8.280 nan 0.000 0.527 319 Y N 1.749 122.280 120.300 0.385 0.000 2.341 319 Y HA 0.282 4.831 4.550 -0.002 0.000 0.340 319 Y C -0.678 175.310 175.900 0.146 0.000 0.997 319 Y CA -1.504 56.742 58.100 0.242 0.000 1.149 319 Y CB 0.549 39.231 38.460 0.371 0.000 1.171 319 Y HN 0.492 nan 8.280 nan 0.000 0.494 320 D N 8.558 128.771 120.400 -0.313 0.000 2.373 320 D HA 0.299 4.936 4.640 -0.004 0.000 0.227 320 D C -2.228 173.576 176.300 -0.827 0.000 1.091 320 D CA -2.493 51.250 54.000 -0.428 0.000 0.840 320 D CB 2.105 42.799 40.800 -0.176 0.000 1.060 320 D HN 0.351 nan 8.370 nan 0.000 0.502 321 P HA -0.061 nan 4.420 nan 0.000 0.226 321 P C 0.997 178.134 177.300 -0.270 0.000 1.153 321 P CA 0.675 63.364 63.100 -0.685 0.000 0.777 321 P CB 0.218 31.733 31.700 -0.309 0.000 0.794 322 S N -2.410 113.158 115.700 -0.219 0.000 2.593 322 S HA 0.142 4.610 4.470 -0.004 0.000 0.217 322 S C 0.697 175.239 174.600 -0.096 0.000 0.966 322 S CA -0.053 58.078 58.200 -0.116 0.000 0.914 322 S CB -0.439 62.707 63.200 -0.091 0.000 0.776 322 S HN 0.078 nan 8.310 nan 0.000 0.523 323 K N 1.122 121.448 120.400 -0.122 0.000 2.221 323 K HA 0.485 4.803 4.320 -0.004 0.000 0.243 323 K C -1.239 175.318 176.600 -0.072 0.000 0.968 323 K CA -0.942 55.293 56.287 -0.087 0.000 0.846 323 K CB 0.710 33.160 32.500 -0.083 0.000 1.141 323 K HN -0.001 nan 8.250 nan 0.000 0.434 324 D N 1.123 121.480 120.400 -0.071 0.000 2.344 324 D HA 0.187 4.825 4.640 -0.004 0.000 0.244 324 D C -0.264 175.947 176.300 -0.148 0.000 1.134 324 D CA -0.087 53.859 54.000 -0.090 0.000 0.930 324 D CB 0.691 41.434 40.800 -0.095 0.000 1.175 324 D HN 0.208 nan 8.370 nan 0.000 0.437 325 L N 1.675 122.766 121.223 -0.220 0.000 2.289 325 L HA 0.376 4.714 4.340 -0.004 0.000 0.285 325 L C -0.216 176.412 176.870 -0.404 0.000 1.049 325 L CA -0.691 53.928 54.840 -0.369 0.000 0.804 325 L CB 0.854 42.598 42.059 -0.525 0.000 1.195 325 L HN 0.135 nan 8.230 nan 0.000 0.428 326 I N 2.743 123.001 120.570 -0.519 0.000 2.441 326 I HA 0.579 4.747 4.170 -0.004 0.000 0.295 326 I C 0.052 175.773 176.117 -0.660 0.000 0.994 326 I CA -0.047 60.888 61.300 -0.609 0.000 1.144 326 I CB 1.951 39.519 38.000 -0.719 0.000 1.314 326 I HN 0.593 nan 8.210 nan 0.000 0.445 327 A N 5.699 128.199 122.820 -0.533 0.000 2.318 327 A HA 0.767 5.085 4.320 -0.004 0.000 0.317 327 A C -0.624 176.909 177.584 -0.085 0.000 1.159 327 A CA -0.561 51.278 52.037 -0.330 0.000 0.799 327 A CB 0.669 19.392 19.000 -0.461 0.000 1.194 327 A HN 0.690 nan 8.150 nan 0.000 0.479 328 E N 1.693 121.929 120.200 0.060 0.000 2.183 328 E HA 0.609 4.956 4.350 -0.004 0.000 0.271 328 E C -1.162 175.569 176.600 0.219 0.000 0.919 328 E CA -0.421 56.071 56.400 0.154 0.000 0.781 328 E CB 2.206 32.026 29.700 0.201 0.000 1.140 328 E HN 0.619 nan 8.360 nan 0.000 0.402 329 I N 2.145 122.835 120.570 0.201 0.000 2.569 329 I HA 0.265 4.432 4.170 -0.004 0.000 0.296 329 I C -0.736 175.523 176.117 0.236 0.000 1.028 329 I CA -0.882 60.566 61.300 0.247 0.000 1.082 329 I CB 1.900 40.009 38.000 0.182 0.000 1.264 329 I HN 0.343 nan 8.210 nan 0.000 0.429 330 Q N 3.807 123.763 119.800 0.259 0.000 2.394 330 Q HA 0.410 4.748 4.340 -0.004 0.000 0.273 330 Q C -0.863 175.214 176.000 0.129 0.000 1.089 330 Q CA -0.910 54.998 55.803 0.175 0.000 0.812 330 Q CB 2.507 31.286 28.738 0.068 0.000 1.353 330 Q HN 0.339 nan 8.270 nan 0.000 0.438 331 K N 1.171 121.516 120.400 -0.092 0.000 2.379 331 K HA 0.053 4.371 4.320 -0.004 0.000 0.284 331 K C 0.166 176.536 176.600 -0.383 0.000 1.044 331 K CA 0.426 56.328 56.287 -0.642 0.000 0.974 331 K CB 0.548 32.671 32.500 -0.628 0.000 0.962 331 K HN 0.619 nan 8.250 nan 0.000 0.474 332 Q N 2.185 121.725 119.800 -0.433 0.000 2.281 332 Q HA 0.175 4.513 4.340 -0.004 0.000 0.215 332 Q C 0.195 176.051 176.000 -0.240 0.000 0.867 332 Q CA 0.266 55.925 55.803 -0.240 0.000 0.940 332 Q CB 0.957 29.599 28.738 -0.161 0.000 1.111 332 Q HN 1.024 nan 8.270 nan 0.000 0.513 333 G N 0.576 109.171 108.800 -0.342 0.000 2.247 333 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.229 333 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.229 333 G C -1.490 173.249 174.900 -0.268 0.000 1.345 333 G CA -0.846 44.105 45.100 -0.250 0.000 1.100 333 G HN 0.133 nan 8.290 nan 0.000 0.473 334 Q N 1.409 121.105 119.800 -0.173 0.000 2.546 334 Q HA 0.365 4.703 4.340 -0.004 0.000 0.237 334 Q C 1.235 177.172 176.000 -0.105 0.000 1.333 334 Q CA 0.996 56.721 55.803 -0.131 0.000 0.877 334 Q CB -0.303 28.377 28.738 -0.097 0.000 1.629 334 Q HN 2.627 nan 8.270 nan 0.000 0.549 335 G N 2.050 110.792 108.800 -0.096 0.000 2.179 335 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.260 335 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.260 335 G C -0.139 174.778 174.900 0.029 0.000 0.977 335 G CA 0.202 45.331 45.100 0.047 0.000 0.641 335 G HN 0.565 nan 8.290 nan 0.000 0.533 336 Q N -1.121 118.544 119.800 -0.225 0.000 2.256 336 Q HA 0.628 4.966 4.340 -0.004 0.000 0.257 336 Q C -0.780 174.934 176.000 -0.477 0.000 0.936 336 Q CA -0.581 55.115 55.803 -0.179 0.000 0.903 336 Q CB 1.204 29.856 28.738 -0.144 0.000 1.263 336 Q HN 0.386 nan 8.270 nan 0.000 0.440 337 W N 0.399 121.769 121.300 0.118 0.000 3.032 337 W HA 0.521 5.178 4.660 -0.004 0.000 0.335 337 W C -0.246 176.378 176.519 0.174 0.000 1.154 337 W CA -0.582 56.859 57.345 0.160 0.000 1.204 337 W CB 2.128 31.733 29.460 0.242 0.000 1.416 337 W HN 0.388 nan 8.180 nan 0.000 0.521 338 T N 1.540 116.299 114.554 0.342 0.000 2.906 338 T HA 0.760 5.108 4.350 -0.004 0.000 0.295 338 T C -1.609 173.285 174.700 0.322 0.000 1.075 338 T CA -0.438 61.803 62.100 0.236 0.000 1.005 338 T CB 0.975 69.890 68.868 0.077 0.000 1.136 338 T HN 0.383 nan 8.240 nan 0.000 0.498 339 Y N 0.605 120.994 120.300 0.149 0.000 2.625 339 Y HA 0.841 5.388 4.550 -0.004 0.000 0.338 339 Y C -1.475 174.495 175.900 0.117 0.000 1.123 339 Y CA -1.274 56.906 58.100 0.134 0.000 1.046 339 Y CB 1.265 39.808 38.460 0.138 0.000 1.299 339 Y HN 0.507 nan 8.280 nan 0.000 0.464 340 Q N 1.910 121.875 119.800 0.275 0.000 2.359 340 Q HA 0.681 5.019 4.340 -0.004 0.000 0.274 340 Q C -1.618 174.522 176.000 0.234 0.000 1.074 340 Q CA -0.560 55.368 55.803 0.208 0.000 0.810 340 Q CB 3.281 32.146 28.738 0.211 0.000 1.342 340 Q HN 0.752 nan 8.270 nan 0.000 0.427 341 I N 3.265 123.958 120.570 0.206 0.000 2.410 341 I HA 0.510 4.677 4.170 -0.004 0.000 0.286 341 I C -1.098 175.047 176.117 0.046 0.000 1.009 341 I CA -0.980 60.340 61.300 0.034 0.000 1.111 341 I CB 0.617 38.666 38.000 0.082 0.000 1.262 341 I HN 0.642 nan 8.210 nan 0.000 0.443 342 Y N 3.336 123.608 120.300 -0.047 0.000 2.665 342 Y HA 0.593 5.140 4.550 -0.004 0.000 0.336 342 Y C 0.099 175.928 175.900 -0.118 0.000 1.085 342 Y CA -0.907 57.160 58.100 -0.055 0.000 1.096 342 Y CB 1.097 39.547 38.460 -0.015 0.000 1.301 342 Y HN 0.422 nan 8.280 nan 0.000 0.493 343 Q N -0.575 119.336 119.800 0.185 0.000 2.384 343 Q HA 0.211 4.549 4.340 -0.004 0.000 0.264 343 Q C -0.751 175.325 176.000 0.128 0.000 0.825 343 Q CA 0.156 55.994 55.803 0.059 0.000 0.984 343 Q CB 1.288 30.020 28.738 -0.009 0.000 1.183 343 Q HN 0.719 nan 8.270 nan 0.000 0.537 344 E N 2.059 122.325 120.200 0.111 0.000 2.191 344 E HA 0.251 4.598 4.350 -0.004 0.000 0.263 344 E C -2.646 173.787 176.600 -0.277 0.000 0.881 344 E CA -2.564 53.807 56.400 -0.047 0.000 0.757 344 E CB 1.852 31.508 29.700 -0.073 0.000 1.147 344 E HN -0.098 nan 8.360 nan 0.000 0.414 345 P HA 0.101 nan 4.420 nan 0.000 0.276 345 P C -0.708 176.004 177.300 -0.980 0.000 1.230 345 P CA -0.003 62.225 63.100 -1.452 0.000 0.776 345 P CB 0.376 30.939 31.700 -1.895 0.000 0.888 346 F N 1.838 121.556 119.950 -0.387 0.000 2.664 346 F HA 0.327 4.853 4.527 -0.003 0.000 0.322 346 F C 0.956 176.572 175.800 -0.307 0.000 1.324 346 F CA -0.492 57.182 58.000 -0.543 0.000 1.154 346 F CB 0.570 39.329 39.000 -0.402 0.000 1.236 346 F HN -0.021 nan 8.300 nan 0.000 0.532 347 K N 1.454 121.762 120.400 -0.152 0.000 2.231 347 K HA 0.196 4.513 4.320 -0.004 0.000 0.275 347 K C -0.284 176.335 176.600 0.032 0.000 1.105 347 K CA -0.209 56.043 56.287 -0.059 0.000 0.931 347 K CB 0.216 32.683 32.500 -0.055 0.000 1.296 347 K HN 0.387 nan 8.250 nan 0.000 0.446 348 N N 3.121 121.842 118.700 0.035 0.000 2.513 348 N HA -0.008 4.730 4.740 -0.004 0.000 0.268 348 N C 0.904 176.495 175.510 0.136 0.000 1.180 348 N CA -0.465 52.658 53.050 0.122 0.000 0.948 348 N CB 0.788 39.315 38.487 0.066 0.000 1.083 348 N HN 0.222 nan 8.380 nan 0.000 0.455 349 L N 1.734 123.095 121.223 0.231 0.000 2.005 349 L HA -0.049 4.289 4.340 -0.004 0.000 0.207 349 L C 1.038 178.236 176.870 0.547 0.000 1.072 349 L CA 1.868 56.947 54.840 0.398 0.000 0.744 349 L CB -1.001 41.288 42.059 0.384 0.000 0.895 349 L HN 0.746 nan 8.230 nan 0.000 0.433 350 K N -1.244 119.415 120.400 0.432 0.000 2.533 350 K HA 0.449 4.766 4.320 -0.004 0.000 0.284 350 K C -0.782 175.939 176.600 0.202 0.000 1.025 350 K CA -0.677 55.849 56.287 0.398 0.000 0.900 350 K CB 2.130 34.901 32.500 0.452 0.000 1.519 350 K HN -0.017 nan 8.250 nan 0.000 0.432 351 T N -2.693 111.907 114.554 0.076 0.000 2.858 351 T HA 0.886 5.233 4.350 -0.004 0.000 0.285 351 T C 0.087 174.543 174.700 -0.407 0.000 1.052 351 T CA -0.346 61.672 62.100 -0.137 0.000 1.009 351 T CB 1.781 70.580 68.868 -0.116 0.000 1.241 351 T HN 1.026 nan 8.240 nan 0.000 0.542 352 G N -0.396 107.867 108.800 -0.896 0.000 2.488 352 G HA2 0.569 4.527 3.960 -0.004 0.000 0.301 352 G HA3 0.569 4.527 3.960 -0.004 0.000 0.301 352 G C -2.107 172.426 174.900 -0.612 0.000 1.339 352 G CA -0.945 43.593 45.100 -0.937 0.000 0.803 352 G HN 0.818 nan 8.290 nan 0.000 0.482 353 K N -0.999 119.360 120.400 -0.068 0.000 2.469 353 K HA 0.679 4.997 4.320 -0.004 0.000 0.254 353 K C -2.228 174.620 176.600 0.414 0.000 0.939 353 K CA -0.954 55.432 56.287 0.166 0.000 0.812 353 K CB 2.522 35.073 32.500 0.084 0.000 1.301 353 K HN 0.634 nan 8.250 nan 0.000 0.433 354 Y N 1.760 122.235 120.300 0.292 0.000 2.433 354 Y HA 0.561 5.109 4.550 -0.004 0.000 0.337 354 Y C -0.900 175.166 175.900 0.277 0.000 1.026 354 Y CA -0.107 58.151 58.100 0.263 0.000 1.037 354 Y CB 2.152 40.754 38.460 0.236 0.000 1.245 354 Y HN 0.643 nan 8.280 nan 0.000 0.443 355 A N 5.092 127.589 122.820 -0.538 0.000 1.853 355 A HA 0.252 4.569 4.320 -0.004 0.000 0.204 355 A C 0.570 177.871 177.584 -0.473 0.000 1.724 355 A CA -0.231 51.621 52.037 -0.308 0.000 1.105 355 A CB -0.203 18.714 19.000 -0.139 0.000 1.101 355 A HN 0.688 nan 8.150 nan 0.000 0.495 356 R N 1.510 121.641 120.500 -0.617 0.000 2.474 356 R HA -0.040 4.298 4.340 -0.004 0.000 0.275 356 R C 0.135 176.332 176.300 -0.172 0.000 0.945 356 R CA 0.700 56.610 56.100 -0.315 0.000 1.115 356 R CB 0.114 30.276 30.300 -0.229 0.000 0.874 356 R HN 0.540 nan 8.270 nan 0.000 0.421 357 M N 4.259 123.820 119.600 -0.064 0.000 2.277 357 M HA 0.335 4.813 4.480 -0.004 0.000 0.350 357 M C -0.889 175.419 176.300 0.013 0.000 1.180 357 M CA 0.086 55.383 55.300 -0.005 0.000 1.103 357 M CB 1.475 34.067 32.600 -0.012 0.000 1.577 357 M HN 0.471 nan 8.290 nan 0.000 0.459 358 R N 2.714 123.238 120.500 0.040 0.000 2.332 358 R HA 0.625 4.963 4.340 -0.004 0.000 0.306 358 R C 0.160 176.484 176.300 0.040 0.000 1.117 358 R CA 0.273 56.402 56.100 0.048 0.000 1.108 358 R CB 0.521 30.864 30.300 0.072 0.000 1.126 358 R HN 1.156 nan 8.270 nan 0.000 0.548 359 G N 0.809 109.619 108.800 0.017 0.000 2.592 359 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.684 359 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.684 359 G C 0.195 175.035 174.900 -0.101 0.000 1.291 359 G CA -0.328 44.764 45.100 -0.013 0.000 0.891 359 G HN 0.451 nan 8.290 nan 0.000 0.544 360 A N -0.749 121.906 122.820 -0.274 0.000 2.044 360 A HA 0.438 4.756 4.320 -0.004 0.000 0.213 360 A C 0.898 178.188 177.584 -0.491 0.000 1.169 360 A CA 1.701 53.466 52.037 -0.454 0.000 0.724 360 A CB -0.155 18.447 19.000 -0.664 0.000 0.840 360 A HN 1.098 nan 8.150 nan 0.000 0.463 361 H N 0.089 119.194 119.070 0.059 0.000 2.609 361 H HA 0.559 5.113 4.556 -0.004 0.000 0.344 361 H C -0.603 174.755 175.328 0.051 0.000 1.040 361 H CA 0.179 56.257 56.048 0.049 0.000 1.216 361 H CB 1.204 31.000 29.762 0.055 0.000 1.529 361 H HN 0.278 nan 8.280 nan 0.000 0.519 362 T N 0.363 114.987 114.554 0.115 0.000 2.681 362 T HA 0.439 4.787 4.350 -0.004 0.000 0.296 362 T C -0.403 174.290 174.700 -0.012 0.000 1.157 362 T CA -1.136 60.989 62.100 0.043 0.000 1.025 362 T CB 1.811 70.684 68.868 0.007 0.000 1.441 362 T HN 0.665 nan 8.240 nan 0.000 0.504 363 N N -1.152 117.480 118.700 -0.114 0.000 2.509 363 N HA 0.479 5.217 4.740 -0.004 0.000 0.280 363 N C -0.260 175.158 175.510 -0.154 0.000 1.306 363 N CA -0.870 52.089 53.050 -0.151 0.000 0.782 363 N CB 0.456 38.785 38.487 -0.264 0.000 1.493 363 N HN 0.427 nan 8.380 nan 0.000 0.498 364 D N -0.445 119.919 120.400 -0.059 0.000 2.178 364 D HA -0.088 4.549 4.640 -0.004 0.000 0.201 364 D C 1.612 177.820 176.300 -0.154 0.000 0.980 364 D CA 0.934 54.982 54.000 0.080 0.000 0.842 364 D CB -0.131 40.814 40.800 0.241 0.000 0.948 364 D HN 0.366 nan 8.370 nan 0.000 0.472 365 V N 0.780 120.462 119.914 -0.386 0.000 2.343 365 V HA -0.216 3.901 4.120 -0.004 0.000 0.247 365 V C 2.346 178.074 176.094 -0.609 0.000 1.051 365 V CA 1.407 63.361 62.300 -0.577 0.000 1.036 365 V CB -0.334 30.857 31.823 -1.052 0.000 0.654 365 V HN 0.172 nan 8.190 nan 0.000 0.451 366 K N -0.342 119.652 120.400 -0.675 0.000 2.026 366 K HA -0.209 4.109 4.320 -0.004 0.000 0.208 366 K C 2.358 178.778 176.600 -0.300 0.000 1.048 366 K CA 1.635 57.674 56.287 -0.413 0.000 0.929 366 K CB -0.203 32.104 32.500 -0.322 0.000 0.713 366 K HN 0.507 nan 8.250 nan 0.000 0.439 367 Q N 0.407 120.040 119.800 -0.278 0.000 2.119 367 Q HA -0.158 4.180 4.340 -0.004 0.000 0.201 367 Q C 2.175 177.736 176.000 -0.732 0.000 0.972 367 Q CA 0.955 56.582 55.803 -0.292 0.000 0.847 367 Q CB -0.048 28.677 28.738 -0.022 0.000 0.903 367 Q HN 0.180 nan 8.270 nan 0.000 0.433 368 L N 0.190 120.904 121.223 -0.849 0.000 2.093 368 L HA -0.113 4.224 4.340 -0.004 0.000 0.208 368 L C 2.064 178.483 176.870 -0.751 0.000 1.085 368 L CA 1.813 56.024 54.840 -1.048 0.000 0.755 368 L CB -0.610 41.004 42.059 -0.741 0.000 0.904 368 L HN 0.049 nan 8.230 nan 0.000 0.435 369 T N -0.570 113.676 114.554 -0.514 0.000 2.867 369 T HA -0.157 4.191 4.350 -0.004 0.000 0.268 369 T C 1.659 176.110 174.700 -0.416 0.000 1.057 369 T CA 1.636 63.502 62.100 -0.391 0.000 1.136 369 T CB -0.205 68.612 68.868 -0.084 0.000 0.874 369 T HN 0.461 nan 8.240 nan 0.000 0.466 370 E N 1.003 120.946 120.200 -0.428 0.000 2.150 370 E HA -0.002 4.345 4.350 -0.004 0.000 0.193 370 E C 2.436 178.585 176.600 -0.752 0.000 0.985 370 E CA 0.942 57.088 56.400 -0.424 0.000 0.814 370 E CB -0.147 29.408 29.700 -0.243 0.000 0.752 370 E HN 0.484 nan 8.360 nan 0.000 0.466 371 A N 0.616 122.803 122.820 -1.056 0.000 1.930 371 A HA -0.064 4.254 4.320 -0.004 0.000 0.215 371 A C 2.419 179.581 177.584 -0.703 0.000 1.176 371 A CA 0.574 51.935 52.037 -1.127 0.000 0.632 371 A CB -0.405 17.966 19.000 -1.050 0.000 0.819 371 A HN 0.107 nan 8.150 nan 0.000 0.445 372 V N 0.012 119.498 119.914 -0.713 0.000 2.392 372 V HA -0.280 3.838 4.120 -0.004 0.000 0.249 372 V C 2.779 178.556 176.094 -0.527 0.000 1.059 372 V CA 2.427 64.240 62.300 -0.812 0.000 1.051 372 V CB -0.561 30.616 31.823 -1.078 0.000 0.658 372 V HN 0.659 nan 8.190 nan 0.000 0.455 373 Q N 0.300 119.847 119.800 -0.422 0.000 2.123 373 Q HA -0.144 4.194 4.340 -0.004 0.000 0.199 373 Q C 2.259 178.152 176.000 -0.178 0.000 0.966 373 Q CA 1.608 57.265 55.803 -0.243 0.000 0.845 373 Q CB -0.428 28.198 28.738 -0.186 0.000 0.907 373 Q HN 0.518 nan 8.270 nan 0.000 0.439 374 K N 0.231 120.484 120.400 -0.246 0.000 2.057 374 K HA -0.090 4.227 4.320 -0.004 0.000 0.206 374 K C 1.918 178.433 176.600 -0.141 0.000 1.050 374 K CA 1.229 57.423 56.287 -0.155 0.000 0.935 374 K CB -0.295 32.108 32.500 -0.163 0.000 0.715 374 K HN 0.349 nan 8.250 nan 0.000 0.439 375 I N 1.089 121.522 120.570 -0.228 0.000 2.394 375 I HA -0.206 3.962 4.170 -0.004 0.000 0.251 375 I C 2.123 178.241 176.117 0.002 0.000 1.136 375 I CA 1.140 62.319 61.300 -0.201 0.000 1.425 375 I CB -0.231 37.612 38.000 -0.262 0.000 1.079 375 I HN 0.140 nan 8.210 nan 0.000 0.425 376 T N -0.076 114.522 114.554 0.073 0.000 2.737 376 T HA -0.158 4.190 4.350 -0.004 0.000 0.265 376 T C 1.947 176.674 174.700 0.046 0.000 1.038 376 T CA 2.034 64.201 62.100 0.112 0.000 1.144 376 T CB -0.364 68.566 68.868 0.103 0.000 0.866 376 T HN 0.343 nan 8.240 nan 0.000 0.434 377 T N 1.772 116.334 114.554 0.012 0.000 2.652 377 T HA -0.164 4.184 4.350 -0.004 0.000 0.267 377 T C 1.932 176.629 174.700 -0.005 0.000 1.039 377 T CA 1.652 63.757 62.100 0.009 0.000 1.153 377 T CB -0.355 68.516 68.868 0.004 0.000 0.863 377 T HN 0.586 nan 8.240 nan 0.000 0.428 378 E N 0.696 120.885 120.200 -0.019 0.000 2.118 378 E HA -0.175 4.173 4.350 -0.004 0.000 0.195 378 E C 2.377 178.917 176.600 -0.100 0.000 0.992 378 E CA 1.460 57.827 56.400 -0.056 0.000 0.804 378 E CB -0.209 29.468 29.700 -0.037 0.000 0.741 378 E HN 0.465 nan 8.360 nan 0.000 0.458 379 S N 0.120 115.826 115.700 0.010 0.000 2.383 379 S HA -0.106 4.362 4.470 -0.004 0.000 0.227 379 S C 2.052 176.710 174.600 0.097 0.000 1.026 379 S CA 0.983 59.277 58.200 0.157 0.000 0.981 379 S CB -0.369 62.984 63.200 0.255 0.000 0.818 379 S HN 0.395 nan 8.310 nan 0.000 0.472 380 I N 1.206 121.805 120.570 0.048 0.000 2.226 380 I HA -0.127 4.041 4.170 -0.004 0.000 0.245 380 I C 2.402 178.508 176.117 -0.019 0.000 1.100 380 I CA 1.040 62.361 61.300 0.035 0.000 1.374 380 I CB -0.521 37.501 38.000 0.036 0.000 1.057 380 I HN 0.224 nan 8.210 nan 0.000 0.413 381 V N 1.233 121.110 119.914 -0.062 0.000 2.295 381 V HA -0.280 3.838 4.120 -0.004 0.000 0.246 381 V C 2.260 178.236 176.094 -0.197 0.000 1.049 381 V CA 1.992 64.234 62.300 -0.097 0.000 1.024 381 V CB -0.321 31.449 31.823 -0.088 0.000 0.648 381 V HN 0.333 nan 8.190 nan 0.000 0.447 382 I N -1.959 118.372 120.570 -0.398 0.000 2.406 382 I HA -0.140 4.028 4.170 -0.004 0.000 0.249 382 I C 2.040 177.692 176.117 -0.774 0.000 1.122 382 I CA 1.348 62.204 61.300 -0.741 0.000 1.431 382 I CB -0.166 36.992 38.000 -1.403 0.000 1.087 382 I HN 0.412 nan 8.210 nan 0.000 0.424 383 W N -0.053 121.129 121.300 -0.197 0.000 2.868 383 W HA 0.354 5.011 4.660 -0.005 0.000 0.320 383 W C 1.542 177.985 176.519 -0.126 0.000 1.076 383 W CA 0.713 57.871 57.345 -0.311 0.000 1.576 383 W CB -0.100 29.036 29.460 -0.539 0.000 1.030 383 W HN 0.295 nan 8.180 nan 0.000 0.558 384 G N 2.167 111.026 108.800 0.100 0.000 2.159 384 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.256 384 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.256 384 G C 0.177 175.141 174.900 0.107 0.000 0.977 384 G CA 0.850 46.006 45.100 0.093 0.000 0.652 384 G HN 0.329 nan 8.290 nan 0.000 0.531 385 K N -0.749 119.728 120.400 0.129 0.000 2.551 385 K HA 0.673 4.991 4.320 -0.004 0.000 0.269 385 K C -0.118 176.527 176.600 0.076 0.000 0.949 385 K CA -0.340 56.004 56.287 0.094 0.000 0.849 385 K CB 1.088 33.640 32.500 0.087 0.000 1.411 385 K HN 0.508 nan 8.250 nan 0.000 0.432 386 T N -0.127 114.454 114.554 0.045 0.000 2.919 386 T HA 0.322 4.669 4.350 -0.004 0.000 0.302 386 T C -1.781 172.864 174.700 -0.091 0.000 1.031 386 T CA -1.064 61.043 62.100 0.012 0.000 1.127 386 T CB 0.401 69.300 68.868 0.052 0.000 0.952 386 T HN 0.492 nan 8.240 nan 0.000 0.540 387 P HA 0.284 nan 4.420 nan 0.000 0.274 387 P C -0.768 176.239 177.300 -0.488 0.000 1.246 387 P CA -0.685 62.141 63.100 -0.456 0.000 0.795 387 P CB 0.665 31.942 31.700 -0.704 0.000 1.006 388 K N 1.146 121.294 120.400 -0.420 0.000 2.211 388 K HA 0.393 4.711 4.320 -0.004 0.000 0.275 388 K C -0.315 176.073 176.600 -0.354 0.000 1.024 388 K CA -0.327 55.795 56.287 -0.275 0.000 0.887 388 K CB 0.470 32.872 32.500 -0.162 0.000 1.084 388 K HN 0.336 nan 8.250 nan 0.000 0.463 389 F N 1.861 121.771 119.950 -0.068 0.000 2.379 389 F HA 0.302 4.828 4.527 -0.002 0.000 0.332 389 F C 0.620 176.430 175.800 0.015 0.000 1.096 389 F CA -0.448 57.517 58.000 -0.058 0.000 1.105 389 F CB 1.145 40.086 39.000 -0.098 0.000 1.189 389 F HN 0.136 nan 8.300 nan 0.000 0.515 390 K N 4.250 124.774 120.400 0.206 0.000 2.535 390 K HA 0.559 4.877 4.320 -0.004 0.000 0.253 390 K C -1.382 175.313 176.600 0.158 0.000 0.953 390 K CA -0.452 55.937 56.287 0.169 0.000 0.863 390 K CB 1.781 34.342 32.500 0.101 0.000 1.111 390 K HN 0.486 nan 8.250 nan 0.000 0.431 391 L N 3.868 125.204 121.223 0.189 0.000 2.346 391 L HA 0.466 4.804 4.340 -0.004 0.000 0.274 391 L C -2.002 174.959 176.870 0.153 0.000 1.007 391 L CA -2.262 52.631 54.840 0.088 0.000 0.818 391 L CB 2.036 43.996 42.059 -0.164 0.000 1.284 391 L HN 0.391 nan 8.230 nan 0.000 0.424 392 P HA 0.188 nan 4.420 nan 0.000 0.220 392 P C -0.624 176.877 177.300 0.334 0.000 1.778 392 P CA 0.449 63.674 63.100 0.207 0.000 0.912 392 P CB 0.158 31.964 31.700 0.176 0.000 1.861 393 I N -0.574 120.281 120.570 0.475 0.000 2.722 393 I HA 0.211 4.379 4.170 -0.004 0.000 0.292 393 I C -0.833 175.533 176.117 0.415 0.000 1.267 393 I CA -0.897 60.612 61.300 0.348 0.000 1.036 393 I CB 2.585 40.663 38.000 0.131 0.000 1.281 393 I HN -0.207 nan 8.210 nan 0.000 0.423 394 Q N 5.847 125.664 119.800 0.029 0.000 2.421 394 Q HA 0.143 4.480 4.340 -0.004 0.000 0.255 394 Q C 0.510 176.661 176.000 0.253 0.000 1.013 394 Q CA -0.192 55.491 55.803 -0.200 0.000 0.895 394 Q CB 0.875 29.455 28.738 -0.264 0.000 1.271 394 Q HN 0.561 nan 8.270 nan 0.000 0.460 395 K N 1.579 122.106 120.400 0.212 0.000 2.147 395 K HA -0.186 4.131 4.320 -0.004 0.000 0.205 395 K C 1.609 178.425 176.600 0.361 0.000 1.049 395 K CA 1.168 57.661 56.287 0.343 0.000 0.936 395 K CB 0.182 32.680 32.500 -0.003 0.000 0.722 395 K HN 0.679 nan 8.250 nan 0.000 0.446 396 E N 0.307 120.619 120.200 0.187 0.000 2.158 396 E HA -0.089 4.259 4.350 -0.004 0.000 0.191 396 E C 1.382 178.086 176.600 0.174 0.000 0.982 396 E CA 0.953 57.449 56.400 0.159 0.000 0.823 396 E CB 0.210 29.950 29.700 0.065 0.000 0.766 396 E HN 0.106 nan 8.360 nan 0.000 0.468 397 T N 1.148 115.799 114.554 0.162 0.000 2.708 397 T HA -0.190 4.158 4.350 -0.004 0.000 0.266 397 T C 1.278 176.128 174.700 0.252 0.000 1.037 397 T CA 1.343 63.537 62.100 0.155 0.000 1.146 397 T CB -0.487 68.449 68.868 0.113 0.000 0.865 397 T HN 0.471 nan 8.240 nan 0.000 0.435 398 W N 2.987 124.406 121.300 0.198 0.000 2.388 398 W HA -0.126 4.533 4.660 -0.003 0.000 0.294 398 W C 1.999 178.753 176.519 0.393 0.000 1.212 398 W CA 1.644 59.136 57.345 0.244 0.000 1.271 398 W CB -0.104 29.483 29.460 0.212 0.000 1.126 398 W HN 0.562 nan 8.180 nan 0.000 0.535 399 E N -0.114 120.308 120.200 0.370 0.000 2.158 399 E HA -0.124 4.224 4.350 -0.004 0.000 0.191 399 E C 1.895 178.587 176.600 0.154 0.000 0.982 399 E CA 1.741 58.386 56.400 0.409 0.000 0.823 399 E CB -0.870 29.141 29.700 0.519 0.000 0.766 399 E HN -0.103 nan 8.360 nan 0.000 0.468 400 T N 0.952 115.569 114.554 0.105 0.000 2.684 400 T HA -0.220 4.128 4.350 -0.004 0.000 0.267 400 T C 1.141 175.811 174.700 -0.050 0.000 1.036 400 T CA 1.514 63.621 62.100 0.011 0.000 1.148 400 T CB -0.556 68.341 68.868 0.049 0.000 0.863 400 T HN 0.442 nan 8.240 nan 0.000 0.436 401 W N 0.581 121.772 121.300 -0.183 0.000 2.332 401 W HA -0.211 4.447 4.660 -0.004 0.000 0.321 401 W C 2.283 178.629 176.519 -0.289 0.000 1.219 401 W CA 1.502 58.684 57.345 -0.271 0.000 1.277 401 W CB -0.700 28.542 29.460 -0.364 0.000 1.161 401 W HN 0.452 nan 8.180 nan 0.000 0.476 402 W N 2.963 123.899 121.300 -0.606 0.000 2.338 402 W HA -0.257 4.401 4.660 -0.003 0.000 0.304 402 W C 2.635 178.927 176.519 -0.379 0.000 1.212 402 W CA 3.783 60.775 57.345 -0.589 0.000 1.264 402 W CB -0.964 28.181 29.460 -0.526 0.000 1.142 402 W HN -0.078 nan 8.180 nan 0.000 0.512 403 T N -0.458 113.466 114.554 -1.050 0.000 2.777 403 T HA -0.259 4.089 4.350 -0.004 0.000 0.266 403 T C 1.492 175.797 174.700 -0.658 0.000 1.040 403 T CA 1.694 63.077 62.100 -1.195 0.000 1.141 403 T CB -0.843 67.482 68.868 -0.905 0.000 0.868 403 T HN 0.631 nan 8.240 nan 0.000 0.444 404 E N -0.682 119.208 120.200 -0.516 0.000 2.474 404 E HA 0.080 4.428 4.350 -0.004 0.000 0.194 404 E C 0.237 176.611 176.600 -0.376 0.000 1.041 404 E CA -0.615 55.567 56.400 -0.364 0.000 0.874 404 E CB -0.201 29.341 29.700 -0.263 0.000 0.914 404 E HN 0.560 nan 8.360 nan 0.000 0.498 405 Y N 1.763 121.583 120.300 -0.800 0.000 2.301 405 Y HA 0.029 4.577 4.550 -0.004 0.000 0.328 405 Y C 0.955 176.545 175.900 -0.517 0.000 1.242 405 Y CA -1.489 56.051 58.100 -0.933 0.000 1.323 405 Y CB 0.541 38.130 38.460 -1.452 0.000 1.266 405 Y HN 0.091 nan 8.280 nan 0.000 0.527 406 W N 1.219 122.026 121.300 -0.822 0.000 2.576 406 W HA 0.108 4.766 4.660 -0.003 0.000 0.275 406 W C -0.199 176.026 176.519 -0.490 0.000 1.241 406 W CA -0.090 56.922 57.345 -0.555 0.000 1.328 406 W CB -0.395 28.790 29.460 -0.459 0.000 1.092 406 W HN 0.369 nan 8.180 nan 0.000 0.586 407 Q N 1.311 120.653 119.800 -0.763 0.000 2.327 407 Q HA 0.414 4.752 4.340 -0.004 0.000 0.254 407 Q C 0.236 176.205 176.000 -0.053 0.000 0.952 407 Q CA 0.055 55.698 55.803 -0.267 0.000 0.884 407 Q CB 1.558 30.140 28.738 -0.262 0.000 1.224 407 Q HN -0.000 nan 8.270 nan 0.000 0.422 408 A N 2.092 124.951 122.820 0.064 0.000 2.407 408 A HA 0.484 4.802 4.320 -0.004 0.000 0.248 408 A C 0.303 178.013 177.584 0.210 0.000 1.082 408 A CA 0.192 52.322 52.037 0.155 0.000 0.785 408 A CB 0.737 19.817 19.000 0.133 0.000 1.020 408 A HN 0.673 nan 8.150 nan 0.000 0.489 409 T N 0.734 115.461 114.554 0.289 0.000 2.731 409 T HA 0.634 4.981 4.350 -0.004 0.000 0.300 409 T C -2.250 172.690 174.700 0.400 0.000 1.283 409 T CA -0.311 61.975 62.100 0.309 0.000 1.005 409 T CB 1.224 70.293 68.868 0.334 0.000 1.420 409 T HN 1.248 nan 8.240 nan 0.000 0.503 410 W N 4.301 125.683 121.300 0.136 0.000 4.324 410 W HA 0.320 4.978 4.660 -0.004 0.000 0.275 410 W C -2.012 174.510 176.519 0.005 0.000 1.256 410 W CA -0.966 56.421 57.345 0.069 0.000 1.434 410 W CB 0.056 29.518 29.460 0.004 0.000 1.016 410 W HN 0.834 nan 8.180 nan 0.000 0.422 411 I N 4.864 125.113 120.570 -0.535 0.000 2.440 411 I HA 0.594 4.762 4.170 -0.004 0.000 0.294 411 I C -1.472 174.102 176.117 -0.904 0.000 0.995 411 I CA -2.103 58.762 61.300 -0.724 0.000 1.306 411 I CB 0.963 38.364 38.000 -0.998 0.000 1.407 411 I HN 0.045 nan 8.210 nan 0.000 0.501 412 P HA -0.044 nan 4.420 nan 0.000 0.291 412 P C -0.330 176.891 177.300 -0.131 0.000 1.287 412 P CA -0.206 62.739 63.100 -0.257 0.000 0.767 412 P CB 0.297 32.017 31.700 0.034 0.000 1.290 413 E N 0.276 120.469 120.200 -0.012 0.000 2.493 413 E HA 0.018 4.366 4.350 -0.004 0.000 0.255 413 E C -0.635 176.041 176.600 0.126 0.000 0.999 413 E CA -0.048 56.346 56.400 -0.010 0.000 0.934 413 E CB 0.022 29.713 29.700 -0.016 0.000 0.940 413 E HN 0.329 nan 8.360 nan 0.000 0.473 414 W N 3.406 124.611 121.300 -0.157 0.000 3.083 414 W HA 0.575 5.232 4.660 -0.004 0.000 0.333 414 W C -1.249 175.216 176.519 -0.091 0.000 1.217 414 W CA -0.939 56.340 57.345 -0.111 0.000 1.170 414 W CB 0.612 29.945 29.460 -0.213 0.000 1.437 414 W HN 0.365 nan 8.180 nan 0.000 0.557 415 E N 1.222 121.479 120.200 0.095 0.000 2.312 415 E HA 0.360 4.707 4.350 -0.004 0.000 0.267 415 E C -1.438 175.324 176.600 0.270 0.000 0.894 415 E CA -1.122 55.252 56.400 -0.044 0.000 0.773 415 E CB 3.069 32.761 29.700 -0.013 0.000 1.241 415 E HN 0.261 nan 8.360 nan 0.000 0.432 416 F N 2.430 122.414 119.950 0.056 0.000 2.518 416 F HA 0.299 4.824 4.527 -0.003 0.000 0.359 416 F C -0.635 175.246 175.800 0.134 0.000 1.118 416 F CA -0.151 57.966 58.000 0.195 0.000 1.287 416 F CB 0.730 39.805 39.000 0.126 0.000 1.132 416 F HN 0.116 nan 8.300 nan 0.000 0.587 417 V N 6.748 126.226 119.914 -0.728 0.000 2.686 417 V HA 0.333 4.450 4.120 -0.004 0.000 0.306 417 V C -0.938 174.572 176.094 -0.974 0.000 1.065 417 V CA -0.894 60.987 62.300 -0.699 0.000 0.894 417 V CB 1.729 33.427 31.823 -0.209 0.000 1.004 417 V HN 0.825 nan 8.190 nan 0.000 0.424 418 N N 3.969 122.228 118.700 -0.735 0.000 3.124 418 N HA 0.263 5.001 4.740 -0.004 0.000 0.284 418 N C -0.438 174.987 175.510 -0.141 0.000 1.209 418 N CA 0.070 52.884 53.050 -0.393 0.000 1.149 418 N CB 0.154 38.568 38.487 -0.123 0.000 1.434 418 N HN 0.749 nan 8.380 nan 0.000 0.529 419 T N 3.880 118.373 114.554 -0.102 0.000 3.250 419 T HA 0.287 4.634 4.350 -0.004 0.000 0.391 419 T C -2.426 172.279 174.700 0.009 0.000 1.502 419 T CA -1.080 60.995 62.100 -0.041 0.000 1.320 419 T CB 1.375 70.219 68.868 -0.040 0.000 1.102 419 T HN 0.314 nan 8.240 nan 0.000 0.610 420 P HA 0.223 nan 4.420 nan 0.000 0.271 420 P C -2.468 174.842 177.300 0.016 0.000 1.233 420 P CA -1.185 61.941 63.100 0.043 0.000 0.789 420 P CB -0.285 31.442 31.700 0.044 0.000 0.951 421 P HA 0.181 nan 4.420 nan 0.000 0.271 421 P C -0.295 177.059 177.300 0.090 0.000 1.216 421 P CA 0.149 63.280 63.100 0.051 0.000 0.771 421 P CB 0.567 32.288 31.700 0.035 0.000 0.864 422 L N 2.479 123.777 121.223 0.125 0.000 2.395 422 L HA 0.300 4.638 4.340 -0.004 0.000 0.269 422 L C 0.954 177.931 176.870 0.177 0.000 1.133 422 L CA -1.062 53.882 54.840 0.173 0.000 0.812 422 L CB 1.241 43.414 42.059 0.191 0.000 1.125 422 L HN 0.202 nan 8.230 nan 0.000 0.452 423 V N 4.293 124.330 119.914 0.205 0.000 2.488 423 V HA 0.316 4.434 4.120 -0.004 0.000 0.277 423 V C -0.056 176.113 176.094 0.125 0.000 1.046 423 V CA -0.170 62.253 62.300 0.204 0.000 0.986 423 V CB 0.745 32.697 31.823 0.214 0.000 0.989 423 V HN 0.912 nan 8.190 nan 0.000 0.475 424 K N 5.699 126.167 120.400 0.114 0.000 2.466 424 K HA 0.667 4.985 4.320 -0.004 0.000 0.260 424 K C -1.541 175.069 176.600 0.016 0.000 1.011 424 K CA -1.133 55.142 56.287 -0.020 0.000 0.871 424 K CB 2.040 34.414 32.500 -0.211 0.000 1.404 424 K HN 0.556 nan 8.250 nan 0.000 0.450 425 L N 1.548 122.740 121.223 -0.051 0.000 2.292 425 L HA 0.283 4.621 4.340 -0.004 0.000 0.284 425 L C -0.122 176.713 176.870 -0.059 0.000 1.065 425 L CA -0.650 54.187 54.840 -0.005 0.000 0.806 425 L CB 0.587 42.635 42.059 -0.018 0.000 1.175 425 L HN 0.718 nan 8.230 nan 0.000 0.431 426 W N 2.749 123.997 121.300 -0.086 0.000 3.077 426 W HA 0.101 4.759 4.660 -0.004 0.000 0.266 426 W C -0.072 176.547 176.519 0.166 0.000 1.300 426 W CA -0.168 57.203 57.345 0.045 0.000 1.586 426 W CB 0.067 29.591 29.460 0.107 0.000 1.103 426 W HN 0.461 nan 8.180 nan 0.000 0.652 427 Y N -2.214 118.205 120.300 0.198 0.000 2.677 427 Y HA 0.531 5.079 4.550 -0.004 0.000 0.334 427 Y C -1.164 174.801 175.900 0.109 0.000 1.196 427 Y CA -2.096 56.079 58.100 0.125 0.000 1.059 427 Y CB 0.336 38.871 38.460 0.125 0.000 1.315 427 Y HN -0.187 nan 8.280 nan 0.000 0.455 428 Q N 3.017 122.948 119.800 0.218 0.000 2.274 428 Q HA 0.475 4.813 4.340 -0.004 0.000 0.268 428 Q C -1.217 174.912 176.000 0.215 0.000 1.015 428 Q CA -0.833 55.049 55.803 0.132 0.000 0.775 428 Q CB 3.151 31.932 28.738 0.071 0.000 1.256 428 Q HN 0.766 nan 8.270 nan 0.000 0.442 429 L N 1.671 123.030 121.223 0.227 0.000 2.483 429 L HA 0.085 4.423 4.340 -0.004 0.000 0.276 429 L C 0.962 177.925 176.870 0.154 0.000 1.213 429 L CA -0.065 54.887 54.840 0.187 0.000 0.843 429 L CB 0.164 42.312 42.059 0.149 0.000 1.107 429 L HN 0.439 nan 8.230 nan 0.000 0.487 430 E N 1.939 122.249 120.200 0.184 0.000 2.418 430 E HA 0.001 4.348 4.350 -0.004 0.000 0.261 430 E C 0.398 177.157 176.600 0.267 0.000 1.070 430 E CA 0.154 56.676 56.400 0.205 0.000 0.931 430 E CB 0.763 30.600 29.700 0.228 0.000 0.954 430 E HN 0.423 nan 8.360 nan 0.000 0.439 431 K N 0.819 121.324 120.400 0.175 0.000 2.356 431 K HA 0.080 4.397 4.320 -0.004 0.000 0.195 431 K C 0.214 176.909 176.600 0.158 0.000 1.037 431 K CA 0.379 56.765 56.287 0.165 0.000 1.014 431 K CB 0.573 33.115 32.500 0.070 0.000 0.815 431 K HN 0.297 nan 8.250 nan 0.000 0.507 432 E N 0.364 120.557 120.200 -0.013 0.000 2.369 432 E HA 0.329 4.676 4.350 -0.004 0.000 0.270 432 E C -2.795 173.330 176.600 -0.791 0.000 0.909 432 E CA -2.670 53.536 56.400 -0.323 0.000 0.775 432 E CB 1.554 31.148 29.700 -0.176 0.000 1.270 432 E HN -0.225 nan 8.360 nan 0.000 0.445 433 P HA 0.102 nan 4.420 nan 0.000 0.266 433 P C -0.298 176.797 177.300 -0.342 0.000 1.195 433 P CA 0.306 62.892 63.100 -0.857 0.000 0.768 433 P CB 0.307 31.705 31.700 -0.503 0.000 0.838 434 I N 2.487 122.952 120.570 -0.175 0.000 2.297 434 I HA 0.118 4.285 4.170 -0.004 0.000 0.291 434 I C 0.265 176.353 176.117 -0.048 0.000 1.033 434 I CA -0.873 60.382 61.300 -0.074 0.000 1.253 434 I CB 0.798 38.792 38.000 -0.011 0.000 1.396 434 I HN 0.021 nan 8.210 nan 0.000 0.476 435 V N 6.359 126.245 119.914 -0.047 0.000 2.673 435 V HA 0.135 4.253 4.120 -0.004 0.000 0.303 435 V C 1.349 177.436 176.094 -0.012 0.000 1.046 435 V CA 1.126 63.409 62.300 -0.029 0.000 1.126 435 V CB 0.624 32.431 31.823 -0.028 0.000 0.934 435 V HN 1.146 nan 8.190 nan 0.000 0.487 436 G N 3.697 112.495 108.800 -0.004 0.000 2.160 436 G HA2 -0.054 3.904 3.960 -0.004 0.000 0.251 436 G HA3 -0.054 3.904 3.960 -0.004 0.000 0.251 436 G C 0.169 175.077 174.900 0.013 0.000 1.008 436 G CA 0.172 45.275 45.100 0.004 0.000 0.724 436 G HN 1.609 nan 8.290 nan 0.000 0.514 437 A N -0.237 122.593 122.820 0.017 0.000 2.331 437 A HA 0.750 5.067 4.320 -0.004 0.000 0.320 437 A C 0.186 177.801 177.584 0.051 0.000 1.138 437 A CA 0.070 52.128 52.037 0.035 0.000 0.790 437 A CB 0.929 19.950 19.000 0.035 0.000 1.206 437 A HN 0.624 nan 8.150 nan 0.000 0.470 438 E N 1.809 122.054 120.200 0.076 0.000 2.480 438 E HA 0.124 4.472 4.350 -0.004 0.000 0.258 438 E C -0.563 176.110 176.600 0.122 0.000 0.984 438 E CA 0.306 56.750 56.400 0.072 0.000 0.930 438 E CB 0.366 30.118 29.700 0.086 0.000 0.936 438 E HN 0.524 nan 8.360 nan 0.000 0.466 439 T N 5.922 120.502 114.554 0.044 0.000 2.723 439 T HA 0.195 4.543 4.350 -0.004 0.000 0.297 439 T C -0.654 174.041 174.700 -0.009 0.000 0.925 439 T CA -0.237 61.883 62.100 0.032 0.000 1.030 439 T CB -0.178 68.683 68.868 -0.011 0.000 0.905 439 T HN 0.238 nan 8.240 nan 0.000 0.502 440 F N 3.186 123.056 119.950 -0.133 0.000 2.390 440 F HA 0.323 4.847 4.527 -0.004 0.000 0.361 440 F C 0.158 175.893 175.800 -0.109 0.000 1.124 440 F CA -1.195 56.738 58.000 -0.111 0.000 1.149 440 F CB 0.298 39.151 39.000 -0.245 0.000 1.160 440 F HN 0.523 nan 8.300 nan 0.000 0.501 441 Y N 3.631 124.010 120.300 0.132 0.000 2.504 441 Y HA 0.412 4.960 4.550 -0.004 0.000 0.351 441 Y C 0.366 176.361 175.900 0.158 0.000 0.988 441 Y CA -0.769 57.394 58.100 0.104 0.000 1.239 441 Y CB 0.515 39.002 38.460 0.045 0.000 1.128 441 Y HN 0.395 nan 8.280 nan 0.000 0.525 442 V N 0.048 120.104 119.914 0.236 0.000 2.975 442 V HA 0.817 4.935 4.120 -0.004 0.000 0.318 442 V C -0.753 175.432 176.094 0.152 0.000 1.077 442 V CA -0.522 61.919 62.300 0.234 0.000 1.000 442 V CB 2.217 34.156 31.823 0.194 0.000 1.066 442 V HN 0.586 nan 8.190 nan 0.000 0.452 443 D N 0.036 120.517 120.400 0.136 0.000 2.706 443 D HA 0.642 5.280 4.640 -0.004 0.000 0.227 443 D C -0.404 175.949 176.300 0.087 0.000 1.233 443 D CA 0.475 54.529 54.000 0.090 0.000 0.768 443 D CB 1.995 42.831 40.800 0.061 0.000 1.490 443 D HN 1.123 nan 8.370 nan 0.000 0.458 444 G N -0.199 108.649 108.800 0.080 0.000 2.685 444 G HA2 0.958 4.916 3.960 -0.004 0.000 0.298 444 G HA3 0.958 4.916 3.960 -0.004 0.000 0.298 444 G C -1.386 173.553 174.900 0.064 0.000 1.277 444 G CA -0.369 44.777 45.100 0.075 0.000 0.986 444 G HN 0.849 nan 8.290 nan 0.000 0.487 445 A N -1.377 121.477 122.820 0.057 0.000 2.562 445 A HA 0.773 5.090 4.320 -0.004 0.000 0.305 445 A C -0.652 176.958 177.584 0.042 0.000 1.059 445 A CA 0.274 52.342 52.037 0.052 0.000 0.835 445 A CB 0.597 19.629 19.000 0.053 0.000 1.299 445 A HN 2.290 nan 8.150 nan 0.000 0.392 446 A N 2.158 125.000 122.820 0.037 0.000 2.374 446 A HA 0.804 5.122 4.320 -0.004 0.000 0.317 446 A C -0.299 177.299 177.584 0.024 0.000 1.094 446 A CA -0.701 51.353 52.037 0.028 0.000 0.765 446 A CB 1.066 20.081 19.000 0.025 0.000 1.268 446 A HN 0.978 nan 8.150 nan 0.000 0.438 447 N N 0.730 119.441 118.700 0.019 0.000 2.488 447 N HA 0.112 4.849 4.740 -0.004 0.000 0.274 447 N C 0.765 176.282 175.510 0.012 0.000 1.111 447 N CA -0.139 52.919 53.050 0.015 0.000 0.974 447 N CB 1.182 39.676 38.487 0.012 0.000 1.089 447 N HN 0.636 nan 8.380 nan 0.000 0.465 448 R N 2.597 123.103 120.500 0.010 0.000 2.081 448 R HA -0.081 4.256 4.340 -0.004 0.000 0.235 448 R C 1.129 177.432 176.300 0.006 0.000 1.131 448 R CA 1.741 57.845 56.100 0.007 0.000 0.960 448 R CB 0.089 30.393 30.300 0.006 0.000 0.856 448 R HN 0.650 nan 8.270 nan 0.000 0.436 449 E N -1.780 118.424 120.200 0.006 0.000 2.102 449 E HA 0.018 4.366 4.350 -0.004 0.000 0.190 449 E C 1.842 178.445 176.600 0.006 0.000 0.971 449 E CA 1.452 57.855 56.400 0.005 0.000 0.821 449 E CB -0.053 29.649 29.700 0.004 0.000 0.777 449 E HN 0.173 nan 8.360 nan 0.000 0.460 450 T N 0.717 115.275 114.554 0.007 0.000 2.777 450 T HA -0.090 4.258 4.350 -0.004 0.000 0.266 450 T C 0.497 175.202 174.700 0.009 0.000 1.040 450 T CA 1.225 63.329 62.100 0.007 0.000 1.141 450 T CB -0.011 68.862 68.868 0.008 0.000 0.868 450 T HN -0.009 nan 8.240 nan 0.000 0.444 451 K N -0.786 119.620 120.400 0.010 0.000 3.446 451 K HA -0.128 4.190 4.320 -0.004 0.000 0.312 451 K C -0.309 176.300 176.600 0.014 0.000 1.329 451 K CA 0.148 56.442 56.287 0.011 0.000 0.935 451 K CB -2.173 30.333 32.500 0.010 0.000 1.281 451 K HN 0.376 nan 8.250 nan 0.000 0.457 452 L N 0.881 122.112 121.223 0.014 0.000 2.326 452 L HA 0.562 4.899 4.340 -0.004 0.000 0.278 452 L C 0.766 177.647 176.870 0.020 0.000 1.092 452 L CA 0.494 55.343 54.840 0.016 0.000 0.810 452 L CB 1.233 43.300 42.059 0.013 0.000 1.153 452 L HN 0.243 nan 8.230 nan 0.000 0.439 453 G N 3.667 112.481 108.800 0.023 0.000 2.498 453 G HA2 0.667 4.625 3.960 -0.004 0.000 0.312 453 G HA3 0.667 4.625 3.960 -0.004 0.000 0.312 453 G C -1.492 173.425 174.900 0.028 0.000 1.230 453 G CA -0.712 44.405 45.100 0.029 0.000 0.968 453 G HN 0.527 nan 8.290 nan 0.000 0.481 454 K N 0.188 120.607 120.400 0.031 0.000 2.637 454 K HA 0.582 4.900 4.320 -0.004 0.000 0.248 454 K C -0.822 175.799 176.600 0.035 0.000 0.971 454 K CA -0.556 55.747 56.287 0.027 0.000 0.858 454 K CB 2.389 34.899 32.500 0.017 0.000 1.170 454 K HN 0.642 nan 8.250 nan 0.000 0.443 455 A N 2.111 124.956 122.820 0.041 0.000 2.304 455 A HA 0.880 5.197 4.320 -0.004 0.000 0.323 455 A C -0.085 177.522 177.584 0.038 0.000 1.195 455 A CA -0.340 51.732 52.037 0.058 0.000 0.826 455 A CB 1.258 20.308 19.000 0.084 0.000 1.184 455 A HN 0.800 nan 8.150 nan 0.000 0.496 456 G N -0.047 108.781 108.800 0.047 0.000 2.975 456 G HA2 0.758 4.716 3.960 -0.004 0.000 0.291 456 G HA3 0.758 4.716 3.960 -0.004 0.000 0.291 456 G C -1.203 173.760 174.900 0.105 0.000 1.334 456 G CA -0.094 44.994 45.100 -0.020 0.000 0.843 456 G HN 1.689 nan 8.290 nan 0.000 0.548 457 Y N -3.133 117.229 120.300 0.103 0.000 2.677 457 Y HA 0.753 5.301 4.550 -0.004 0.000 0.334 457 Y C -1.435 174.513 175.900 0.079 0.000 1.196 457 Y CA -1.617 56.566 58.100 0.139 0.000 1.059 457 Y CB 0.948 39.570 38.460 0.270 0.000 1.315 457 Y HN 0.601 nan 8.280 nan 0.000 0.455 458 V N 1.682 121.825 119.914 0.380 0.000 2.876 458 V HA 0.823 4.941 4.120 -0.004 0.000 0.312 458 V C -0.253 175.946 176.094 0.176 0.000 1.085 458 V CA -0.051 62.380 62.300 0.218 0.000 0.945 458 V CB 2.044 33.913 31.823 0.077 0.000 1.017 458 V HN 1.191 nan 8.190 nan 0.000 0.428 459 T N -0.727 113.829 114.554 0.004 0.000 2.910 459 T HA 0.339 4.687 4.350 -0.004 0.000 0.287 459 T C 0.691 175.369 174.700 -0.037 0.000 1.050 459 T CA -0.393 61.625 62.100 -0.135 0.000 1.011 459 T CB 1.683 70.230 68.868 -0.534 0.000 1.195 459 T HN 0.659 nan 8.240 nan 0.000 0.540 460 N N 0.299 118.991 118.700 -0.014 0.000 2.463 460 N HA -0.028 4.709 4.740 -0.004 0.000 0.181 460 N C 1.118 176.613 175.510 -0.026 0.000 1.078 460 N CA 0.147 53.204 53.050 0.012 0.000 0.902 460 N CB -0.256 38.264 38.487 0.055 0.000 0.970 460 N HN 0.630 nan 8.380 nan 0.000 0.451 461 R N -0.411 120.052 120.500 -0.061 0.000 2.359 461 R HA 0.222 4.559 4.340 -0.004 0.000 0.231 461 R C 0.629 176.901 176.300 -0.047 0.000 0.913 461 R CA 0.440 56.509 56.100 -0.051 0.000 1.075 461 R CB 0.224 30.489 30.300 -0.058 0.000 1.087 461 R HN 0.352 nan 8.270 nan 0.000 0.515 462 G N 1.352 110.123 108.800 -0.049 0.000 2.175 462 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.244 462 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.244 462 G C 0.121 175.008 174.900 -0.023 0.000 0.982 462 G CA -0.352 44.729 45.100 -0.032 0.000 0.641 462 G HN 0.231 nan 8.290 nan 0.000 0.527 463 R N 0.413 120.896 120.500 -0.028 0.000 2.641 463 R HA 0.514 4.852 4.340 -0.004 0.000 0.269 463 R C 0.239 176.581 176.300 0.070 0.000 1.074 463 R CA 0.422 56.541 56.100 0.031 0.000 1.133 463 R CB 0.310 30.645 30.300 0.058 0.000 1.029 463 R HN 0.562 nan 8.270 nan 0.000 0.488 464 Q N 1.231 121.044 119.800 0.021 0.000 2.391 464 Q HA 0.412 4.750 4.340 -0.004 0.000 0.279 464 Q C -1.412 174.411 176.000 -0.295 0.000 1.028 464 Q CA -0.953 54.776 55.803 -0.124 0.000 0.836 464 Q CB 3.294 31.985 28.738 -0.079 0.000 1.414 464 Q HN 0.443 nan 8.270 nan 0.000 0.397 465 K N 0.920 120.983 120.400 -0.562 0.000 2.582 465 K HA 0.417 4.735 4.320 -0.004 0.000 0.259 465 K C -2.267 174.102 176.600 -0.386 0.000 0.973 465 K CA -0.447 55.567 56.287 -0.454 0.000 0.880 465 K CB 2.220 34.434 32.500 -0.476 0.000 1.310 465 K HN 0.449 nan 8.250 nan 0.000 0.443 466 V N 4.969 124.768 119.914 -0.191 0.000 2.715 466 V HA 0.833 4.950 4.120 -0.004 0.000 0.310 466 V C -1.020 175.035 176.094 -0.065 0.000 1.054 466 V CA -0.271 61.961 62.300 -0.113 0.000 0.928 466 V CB 1.763 33.542 31.823 -0.072 0.000 1.007 466 V HN 0.590 nan 8.190 nan 0.000 0.437 467 V N 2.693 122.589 119.914 -0.030 0.000 2.962 467 V HA 0.767 4.884 4.120 -0.004 0.000 0.313 467 V C -0.332 175.767 176.094 0.009 0.000 1.099 467 V CA -0.365 61.932 62.300 -0.006 0.000 0.971 467 V CB 1.948 33.777 31.823 0.010 0.000 1.028 467 V HN 0.845 nan 8.190 nan 0.000 0.430 468 T N 4.323 118.885 114.554 0.012 0.000 2.867 468 T HA 0.764 5.112 4.350 -0.004 0.000 0.282 468 T C -0.449 174.267 174.700 0.026 0.000 1.000 468 T CA -0.236 61.875 62.100 0.017 0.000 1.042 468 T CB 1.072 69.948 68.868 0.012 0.000 0.973 468 T HN 0.659 nan 8.240 nan 0.000 0.465 469 L N 2.655 123.895 121.223 0.029 0.000 2.362 469 L HA 0.629 4.967 4.340 -0.004 0.000 0.271 469 L C 0.447 177.333 176.870 0.027 0.000 1.002 469 L CA -0.985 53.875 54.840 0.034 0.000 0.818 469 L CB 2.286 44.371 42.059 0.043 0.000 1.298 469 L HN 0.706 nan 8.230 nan 0.000 0.420 470 T N -2.495 112.074 114.554 0.025 0.000 2.823 470 T HA 0.419 4.767 4.350 -0.004 0.000 0.279 470 T C -0.256 174.456 174.700 0.020 0.000 0.998 470 T CA -0.620 61.492 62.100 0.020 0.000 0.994 470 T CB 1.468 70.347 68.868 0.018 0.000 0.960 470 T HN 0.658 nan 8.240 nan 0.000 0.448 471 D N 0.341 120.752 120.400 0.017 0.000 2.927 471 D HA -0.162 4.475 4.640 -0.004 0.000 0.236 471 D C -0.513 175.798 176.300 0.019 0.000 1.163 471 D CA 1.519 55.529 54.000 0.016 0.000 0.801 471 D CB -0.928 39.881 40.800 0.014 0.000 0.975 471 D HN 0.905 nan 8.370 nan 0.000 0.413 472 T N 0.172 114.738 114.554 0.020 0.000 2.909 472 T HA 0.695 5.043 4.350 -0.004 0.000 0.299 472 T C -0.042 174.670 174.700 0.019 0.000 1.073 472 T CA 0.040 62.155 62.100 0.024 0.000 0.999 472 T CB 1.276 70.164 68.868 0.033 0.000 1.098 472 T HN 0.233 nan 8.240 nan 0.000 0.477 473 T N 1.979 116.542 114.554 0.015 0.000 2.918 473 T HA 0.332 4.680 4.350 -0.004 0.000 0.283 473 T C 1.213 175.915 174.700 0.003 0.000 1.001 473 T CA -0.673 61.428 62.100 0.001 0.000 1.041 473 T CB 0.767 69.624 68.868 -0.018 0.000 1.028 473 T HN 0.497 nan 8.240 nan 0.000 0.511 474 N N 0.593 119.289 118.700 -0.005 0.000 2.588 474 N HA -0.133 4.605 4.740 -0.004 0.000 0.190 474 N C 1.683 177.197 175.510 0.006 0.000 1.094 474 N CA 1.243 54.298 53.050 0.008 0.000 0.921 474 N CB -0.211 38.280 38.487 0.006 0.000 0.959 474 N HN 0.908 nan 8.380 nan 0.000 0.448 475 Q N -1.648 118.133 119.800 -0.033 0.000 2.322 475 Q HA 0.179 4.516 4.340 -0.004 0.000 0.250 475 Q C 1.396 177.452 176.000 0.093 0.000 0.853 475 Q CA -0.093 55.681 55.803 -0.048 0.000 0.951 475 Q CB 0.014 28.499 28.738 -0.422 0.000 1.114 475 Q HN 0.004 nan 8.270 nan 0.000 0.523 476 K N 1.209 121.649 120.400 0.066 0.000 2.148 476 K HA -0.086 4.232 4.320 -0.004 0.000 0.204 476 K C 2.106 178.770 176.600 0.106 0.000 1.050 476 K CA 1.963 58.312 56.287 0.103 0.000 0.942 476 K CB 0.008 32.548 32.500 0.066 0.000 0.724 476 K HN 0.471 nan 8.250 nan 0.000 0.446 477 T N -1.275 113.332 114.554 0.088 0.000 2.962 477 T HA -0.079 4.268 4.350 -0.004 0.000 0.270 477 T C 1.536 176.301 174.700 0.109 0.000 1.088 477 T CA 0.948 63.102 62.100 0.089 0.000 1.127 477 T CB -0.068 68.841 68.868 0.070 0.000 0.883 477 T HN 0.245 nan 8.240 nan 0.000 0.493 478 E N 0.341 120.620 120.200 0.132 0.000 2.216 478 E HA 0.100 4.447 4.350 -0.004 0.000 0.192 478 E C 1.785 178.468 176.600 0.138 0.000 0.988 478 E CA 0.336 56.823 56.400 0.145 0.000 0.834 478 E CB -0.073 29.742 29.700 0.191 0.000 0.772 478 E HN 0.286 nan 8.360 nan 0.000 0.479 479 L N 1.000 122.311 121.223 0.147 0.000 2.131 479 L HA -0.111 4.227 4.340 -0.004 0.000 0.206 479 L C 2.260 179.200 176.870 0.117 0.000 1.087 479 L CA 1.430 56.331 54.840 0.101 0.000 0.767 479 L CB -0.397 41.716 42.059 0.089 0.000 0.917 479 L HN 0.045 nan 8.230 nan 0.000 0.441 480 Q N -0.626 119.254 119.800 0.134 0.000 2.096 480 Q HA -0.145 4.193 4.340 -0.004 0.000 0.204 480 Q C 2.317 178.424 176.000 0.179 0.000 0.982 480 Q CA 1.708 57.617 55.803 0.177 0.000 0.850 480 Q CB -0.388 28.435 28.738 0.143 0.000 0.901 480 Q HN 0.525 nan 8.270 nan 0.000 0.422 481 A N 0.537 123.444 122.820 0.146 0.000 1.972 481 A HA -0.142 4.176 4.320 -0.004 0.000 0.219 481 A C 2.102 179.773 177.584 0.144 0.000 1.169 481 A CA 1.019 53.150 52.037 0.156 0.000 0.635 481 A CB -0.517 18.568 19.000 0.143 0.000 0.810 481 A HN 0.306 nan 8.150 nan 0.000 0.446 482 I N -2.353 118.283 120.570 0.110 0.000 2.277 482 I HA -0.170 3.998 4.170 -0.004 0.000 0.243 482 I C 2.395 178.548 176.117 0.060 0.000 1.094 482 I CA 1.148 62.481 61.300 0.054 0.000 1.393 482 I CB -0.356 37.664 38.000 0.033 0.000 1.078 482 I HN 0.473 nan 8.210 nan 0.000 0.417 483 Y N 1.346 121.625 120.300 -0.034 0.000 2.256 483 Y HA -0.272 4.275 4.550 -0.004 0.000 0.288 483 Y C 2.221 178.098 175.900 -0.039 0.000 1.155 483 Y CA 1.369 59.442 58.100 -0.045 0.000 1.203 483 Y CB -0.320 38.129 38.460 -0.017 0.000 0.980 483 Y HN 0.059 nan 8.280 nan 0.000 0.530 484 L N 0.064 121.275 121.223 -0.021 0.000 2.056 484 L HA -0.029 4.309 4.340 -0.004 0.000 0.207 484 L C 2.485 179.289 176.870 -0.110 0.000 1.078 484 L CA 2.008 56.821 54.840 -0.045 0.000 0.749 484 L CB -1.297 40.867 42.059 0.175 0.000 0.901 484 L HN 0.251 nan 8.230 nan 0.000 0.433 485 A N -1.456 121.239 122.820 -0.209 0.000 2.067 485 A HA -0.046 4.272 4.320 -0.004 0.000 0.217 485 A C 2.221 179.310 177.584 -0.824 0.000 1.156 485 A CA 1.044 52.628 52.037 -0.755 0.000 0.683 485 A CB -0.508 18.139 19.000 -0.588 0.000 0.808 485 A HN 0.430 nan 8.150 nan 0.000 0.455 486 L N -0.400 120.564 121.223 -0.431 0.000 2.072 486 L HA -0.195 4.143 4.340 -0.004 0.000 0.205 486 L C 2.817 179.499 176.870 -0.313 0.000 1.079 486 L CA 1.544 56.185 54.840 -0.331 0.000 0.752 486 L CB -0.397 41.574 42.059 -0.147 0.000 0.906 486 L HN 0.666 nan 8.230 nan 0.000 0.436 487 Q N -1.596 117.997 119.800 -0.344 0.000 2.424 487 Q HA -0.056 4.281 4.340 -0.004 0.000 0.204 487 Q C 0.424 176.313 176.000 -0.184 0.000 0.933 487 Q CA 0.679 56.317 55.803 -0.275 0.000 0.929 487 Q CB 0.096 28.600 28.738 -0.390 0.000 1.037 487 Q HN 0.317 nan 8.270 nan 0.000 0.511 488 D N 1.143 121.424 120.400 -0.199 0.000 2.369 488 D HA 0.054 4.691 4.640 -0.004 0.000 0.211 488 D C 0.149 176.428 176.300 -0.036 0.000 1.077 488 D CA 0.287 54.258 54.000 -0.048 0.000 0.842 488 D CB 0.640 41.520 40.800 0.134 0.000 0.947 488 D HN 0.292 nan 8.370 nan 0.000 0.509 489 S N -0.970 114.582 115.700 -0.246 0.000 2.730 489 S HA 0.711 5.179 4.470 -0.004 0.000 0.284 489 S C 0.859 175.424 174.600 -0.058 0.000 1.153 489 S CA -0.698 57.404 58.200 -0.163 0.000 0.995 489 S CB 1.878 64.772 63.200 -0.510 0.000 1.058 489 S HN 0.023 nan 8.310 nan 0.000 0.552 490 G N -0.516 108.288 108.800 0.007 0.000 2.516 490 G HA2 0.390 4.348 3.960 -0.004 0.000 0.276 490 G HA3 0.390 4.348 3.960 -0.004 0.000 0.276 490 G C 0.596 175.484 174.900 -0.020 0.000 1.390 490 G CA -0.866 44.236 45.100 0.003 0.000 1.050 490 G HN 0.703 nan 8.290 nan 0.000 0.519 491 L N -0.649 120.571 121.223 -0.005 0.000 2.376 491 L HA 0.133 4.471 4.340 -0.004 0.000 0.219 491 L C 0.858 177.727 176.870 -0.001 0.000 1.133 491 L CA 0.926 55.763 54.840 -0.006 0.000 0.816 491 L CB -0.256 41.806 42.059 0.005 0.000 0.933 491 L HN 0.445 nan 8.230 nan 0.000 0.449 492 E N -0.410 119.794 120.200 0.007 0.000 2.238 492 E HA 0.570 4.918 4.350 -0.004 0.000 0.267 492 E C -1.214 175.398 176.600 0.021 0.000 0.887 492 E CA -0.381 56.028 56.400 0.015 0.000 0.769 492 E CB 3.334 33.047 29.700 0.022 0.000 1.187 492 E HN -0.187 nan 8.360 nan 0.000 0.416 493 V N 2.904 122.832 119.914 0.023 0.000 2.903 493 V HA 0.246 4.363 4.120 -0.004 0.000 0.289 493 V C -1.884 174.245 176.094 0.057 0.000 1.355 493 V CA -0.712 61.608 62.300 0.034 0.000 0.953 493 V CB 1.993 33.770 31.823 -0.077 0.000 1.102 493 V HN 0.713 nan 8.190 nan 0.000 0.435 494 N N 6.500 125.260 118.700 0.099 0.000 2.456 494 N HA 0.625 5.362 4.740 -0.004 0.000 0.288 494 N C -1.012 174.531 175.510 0.056 0.000 1.059 494 N CA -0.290 52.834 53.050 0.122 0.000 0.946 494 N CB 2.314 40.884 38.487 0.139 0.000 1.150 494 N HN 0.621 nan 8.380 nan 0.000 0.479 495 I N 1.777 122.344 120.570 -0.005 0.000 2.436 495 I HA 0.279 4.447 4.170 -0.004 0.000 0.289 495 I C -0.482 175.568 176.117 -0.111 0.000 1.010 495 I CA -0.964 60.302 61.300 -0.056 0.000 1.098 495 I CB 2.082 40.034 38.000 -0.079 0.000 1.266 495 I HN 0.016 nan 8.210 nan 0.000 0.434 496 V N 4.736 124.540 119.914 -0.183 0.000 2.370 496 V HA 0.502 4.620 4.120 -0.004 0.000 0.283 496 V C 0.078 176.122 176.094 -0.084 0.000 1.023 496 V CA -0.300 61.878 62.300 -0.203 0.000 0.857 496 V CB 1.633 33.171 31.823 -0.475 0.000 0.985 496 V HN 0.816 nan 8.190 nan 0.000 0.443 497 T N 1.583 116.100 114.554 -0.060 0.000 2.906 497 T HA 0.479 4.827 4.350 -0.004 0.000 0.295 497 T C -0.142 174.468 174.700 -0.149 0.000 1.075 497 T CA -0.394 61.692 62.100 -0.024 0.000 1.005 497 T CB 1.818 70.719 68.868 0.054 0.000 1.136 497 T HN 0.864 nan 8.240 nan 0.000 0.498 498 D N 0.453 120.768 120.400 -0.141 0.000 2.440 498 D HA 0.229 4.867 4.640 -0.004 0.000 0.216 498 D C 0.243 176.656 176.300 0.188 0.000 1.150 498 D CA -0.255 53.545 54.000 -0.333 0.000 0.832 498 D CB 0.300 40.906 40.800 -0.323 0.000 0.992 498 D HN 0.244 nan 8.370 nan 0.000 0.502 499 S N 0.725 116.603 115.700 0.297 0.000 2.415 499 S HA 0.114 4.582 4.470 -0.004 0.000 0.313 499 S C 1.129 175.954 174.600 0.376 0.000 1.067 499 S CA -0.579 57.827 58.200 0.343 0.000 1.099 499 S CB 1.065 64.411 63.200 0.243 0.000 0.991 499 S HN 0.248 nan 8.310 nan 0.000 0.491 500 Q N 5.256 125.239 119.800 0.303 0.000 2.135 500 Q HA -0.221 4.117 4.340 -0.004 0.000 0.204 500 Q C 1.511 177.521 176.000 0.017 0.000 0.981 500 Q CA 2.217 57.983 55.803 -0.061 0.000 0.856 500 Q CB -0.524 28.085 28.738 -0.216 0.000 0.902 500 Q HN 0.939 nan 8.270 nan 0.000 0.425 501 Y N 0.274 120.581 120.300 0.013 0.000 2.097 501 Y HA -0.220 4.327 4.550 -0.004 0.000 0.282 501 Y C 2.130 178.044 175.900 0.023 0.000 1.152 501 Y CA 2.093 60.204 58.100 0.018 0.000 1.136 501 Y CB -0.901 37.584 38.460 0.042 0.000 0.975 501 Y HN 0.221 nan 8.280 nan 0.000 0.498 502 A N 0.354 123.067 122.820 -0.178 0.000 1.898 502 A HA -0.159 4.158 4.320 -0.004 0.000 0.216 502 A C 2.244 179.725 177.584 -0.172 0.000 1.181 502 A CA 1.661 53.541 52.037 -0.263 0.000 0.620 502 A CB -1.318 17.676 19.000 -0.010 0.000 0.819 502 A HN 0.580 nan 8.150 nan 0.000 0.442 503 L N 0.201 121.390 121.223 -0.057 0.000 1.989 503 L HA -0.097 4.240 4.340 -0.004 0.000 0.211 503 L C 2.472 179.293 176.870 -0.080 0.000 1.071 503 L CA 2.481 57.294 54.840 -0.046 0.000 0.749 503 L CB -1.069 40.978 42.059 -0.020 0.000 0.890 503 L HN 0.328 nan 8.230 nan 0.000 0.431 504 G N -0.326 108.402 108.800 -0.120 0.000 2.476 504 G HA2 -0.281 3.676 3.960 -0.004 0.000 0.218 504 G HA3 -0.281 3.676 3.960 -0.004 0.000 0.218 504 G C 1.618 176.522 174.900 0.006 0.000 1.164 504 G CA 1.336 46.384 45.100 -0.086 0.000 0.768 504 G HN 0.497 nan 8.290 nan 0.000 0.560 505 I N 0.639 121.132 120.570 -0.128 0.000 2.142 505 I HA -0.133 4.035 4.170 -0.004 0.000 0.240 505 I C 2.504 178.602 176.117 -0.032 0.000 1.078 505 I CA 0.721 61.935 61.300 -0.144 0.000 1.343 505 I CB -0.196 37.534 38.000 -0.450 0.000 1.046 505 I HN 0.075 nan 8.210 nan 0.000 0.405 506 I N 0.322 120.867 120.570 -0.042 0.000 2.439 506 I HA -0.227 3.940 4.170 -0.004 0.000 0.251 506 I C 2.455 178.657 176.117 0.142 0.000 1.139 506 I CA 1.347 62.670 61.300 0.040 0.000 1.438 506 I CB -1.276 36.722 38.000 -0.004 0.000 1.085 506 I HN 0.339 nan 8.210 nan 0.000 0.427 507 Q N 0.994 120.869 119.800 0.125 0.000 2.437 507 Q HA -0.001 4.337 4.340 -0.004 0.000 0.210 507 Q C 1.821 177.998 176.000 0.294 0.000 0.972 507 Q CA 1.162 57.070 55.803 0.176 0.000 0.903 507 Q CB 0.052 28.865 28.738 0.126 0.000 0.967 507 Q HN 0.471 nan 8.270 nan 0.000 0.486 508 A N -0.385 122.638 122.820 0.338 0.000 2.307 508 A HA 0.054 4.372 4.320 -0.004 0.000 0.218 508 A C 0.009 177.763 177.584 0.283 0.000 1.228 508 A CA 0.116 52.389 52.037 0.393 0.000 0.857 508 A CB 0.028 19.307 19.000 0.466 0.000 0.897 508 A HN 0.490 nan 8.150 nan 0.000 0.495 509 Q N -1.554 118.383 119.800 0.227 0.000 2.463 509 Q HA -0.133 4.204 4.340 -0.004 0.000 0.299 509 Q C -2.263 173.777 176.000 0.066 0.000 1.353 509 Q CA 0.282 56.133 55.803 0.080 0.000 0.828 509 Q CB -1.929 26.790 28.738 -0.030 0.000 1.157 509 Q HN 0.470 nan 8.270 nan 0.000 0.436 510 P HA -0.070 nan 4.420 nan 0.000 0.267 510 P C 0.132 177.517 177.300 0.141 0.000 1.200 510 P CA 0.645 63.824 63.100 0.131 0.000 0.772 510 P CB 0.431 32.215 31.700 0.140 0.000 0.855 511 D N 0.186 120.606 120.400 0.034 0.000 2.503 511 D HA 0.046 4.684 4.640 -0.004 0.000 0.218 511 D C -0.064 176.178 176.300 -0.096 0.000 1.183 511 D CA -0.038 53.942 54.000 -0.033 0.000 0.827 511 D CB 0.115 40.816 40.800 -0.166 0.000 1.034 511 D HN 0.485 nan 8.370 nan 0.000 0.510 512 Q N -1.775 118.010 119.800 -0.026 0.000 2.472 512 Q HA 0.635 4.973 4.340 -0.004 0.000 0.281 512 Q C -1.549 174.477 176.000 0.043 0.000 0.997 512 Q CA -0.992 54.796 55.803 -0.025 0.000 0.828 512 Q CB 1.804 30.513 28.738 -0.048 0.000 1.443 512 Q HN -0.051 nan 8.270 nan 0.000 0.390 513 S N -0.450 115.275 115.700 0.041 0.000 2.547 513 S HA 0.219 4.687 4.470 -0.004 0.000 0.270 513 S C -0.430 174.198 174.600 0.048 0.000 1.150 513 S CA -0.405 57.857 58.200 0.104 0.000 0.850 513 S CB 1.921 65.257 63.200 0.226 0.000 1.118 513 S HN 0.728 nan 8.310 nan 0.000 0.461 514 E N 0.930 121.149 120.200 0.031 0.000 2.274 514 E HA 0.031 4.378 4.350 -0.004 0.000 0.194 514 E C 0.286 176.906 176.600 0.035 0.000 0.996 514 E CA 0.379 56.784 56.400 0.008 0.000 0.840 514 E CB 0.171 29.855 29.700 -0.027 0.000 0.772 514 E HN 0.355 nan 8.360 nan 0.000 0.491 515 S N 0.394 116.147 115.700 0.088 0.000 2.513 515 S HA 0.038 4.506 4.470 -0.004 0.000 0.276 515 S C 0.807 175.418 174.600 0.018 0.000 1.254 515 S CA -0.497 57.751 58.200 0.079 0.000 1.053 515 S CB 1.322 64.614 63.200 0.153 0.000 0.958 515 S HN 0.065 nan 8.310 nan 0.000 0.491 516 E N 4.245 124.439 120.200 -0.009 0.000 2.047 516 E HA -0.080 4.268 4.350 -0.004 0.000 0.191 516 E C 1.777 178.312 176.600 -0.109 0.000 0.987 516 E CA 1.408 57.778 56.400 -0.049 0.000 0.799 516 E CB -0.335 29.341 29.700 -0.040 0.000 0.752 516 E HN 0.796 nan 8.360 nan 0.000 0.449 517 L N -0.220 120.937 121.223 -0.110 0.000 1.978 517 L HA -0.263 4.075 4.340 -0.004 0.000 0.218 517 L C 2.325 179.061 176.870 -0.224 0.000 1.075 517 L CA 1.729 56.448 54.840 -0.202 0.000 0.767 517 L CB -0.457 41.543 42.059 -0.098 0.000 0.890 517 L HN 0.150 nan 8.230 nan 0.000 0.434 518 V N -0.300 119.545 119.914 -0.116 0.000 2.469 518 V HA -0.324 3.793 4.120 -0.004 0.000 0.251 518 V C 2.004 178.033 176.094 -0.108 0.000 1.064 518 V CA 2.163 64.395 62.300 -0.113 0.000 1.066 518 V CB -0.872 30.905 31.823 -0.077 0.000 0.667 518 V HN 0.526 nan 8.190 nan 0.000 0.461 519 N N -0.600 118.043 118.700 -0.095 0.000 2.244 519 N HA -0.176 4.562 4.740 -0.004 0.000 0.183 519 N C 1.957 177.384 175.510 -0.139 0.000 1.016 519 N CA 0.944 53.938 53.050 -0.093 0.000 0.866 519 N CB -0.012 38.432 38.487 -0.073 0.000 0.980 519 N HN 0.620 nan 8.380 nan 0.000 0.430 520 Q N 0.645 120.301 119.800 -0.240 0.000 2.062 520 Q HA -0.014 4.324 4.340 -0.004 0.000 0.196 520 Q C 2.088 177.933 176.000 -0.259 0.000 0.967 520 Q CA 0.816 56.419 55.803 -0.334 0.000 0.832 520 Q CB 0.045 28.332 28.738 -0.752 0.000 0.899 520 Q HN 0.394 nan 8.270 nan 0.000 0.442 521 I N 0.810 121.201 120.570 -0.298 0.000 2.248 521 I HA -0.320 3.848 4.170 -0.004 0.000 0.248 521 I C 2.159 178.206 176.117 -0.117 0.000 1.107 521 I CA 1.262 62.499 61.300 -0.105 0.000 1.373 521 I CB -0.318 37.617 38.000 -0.108 0.000 1.055 521 I HN 0.222 nan 8.210 nan 0.000 0.418 522 I N 0.912 121.408 120.570 -0.124 0.000 2.252 522 I HA -0.283 3.885 4.170 -0.004 0.000 0.245 522 I C 2.681 178.741 176.117 -0.095 0.000 1.102 522 I CA 1.653 62.881 61.300 -0.120 0.000 1.385 522 I CB -0.484 37.495 38.000 -0.033 0.000 1.064 522 I HN 0.351 nan 8.210 nan 0.000 0.414 523 E N 0.708 120.875 120.200 -0.056 0.000 2.153 523 E HA -0.268 4.079 4.350 -0.004 0.000 0.194 523 E C 1.989 178.588 176.600 -0.001 0.000 0.988 523 E CA 0.965 57.356 56.400 -0.014 0.000 0.811 523 E CB -0.207 29.490 29.700 -0.004 0.000 0.746 523 E HN 0.491 nan 8.360 nan 0.000 0.466 524 Q N 0.680 120.476 119.800 -0.008 0.000 2.049 524 Q HA 0.006 4.344 4.340 -0.004 0.000 0.198 524 Q C 2.495 178.445 176.000 -0.083 0.000 0.971 524 Q CA 0.954 56.752 55.803 -0.008 0.000 0.833 524 Q CB -0.127 28.639 28.738 0.047 0.000 0.896 524 Q HN 0.424 nan 8.270 nan 0.000 0.434 525 L N 0.257 121.362 121.223 -0.197 0.000 2.191 525 L HA -0.135 4.203 4.340 -0.004 0.000 0.212 525 L C 2.254 178.995 176.870 -0.215 0.000 1.103 525 L CA 0.696 55.328 54.840 -0.346 0.000 0.769 525 L CB -0.308 41.247 42.059 -0.841 0.000 0.908 525 L HN 0.158 nan 8.230 nan 0.000 0.438 526 I N -0.781 119.739 120.570 -0.083 0.000 2.500 526 I HA -0.179 3.989 4.170 -0.004 0.000 0.252 526 I C 2.303 178.472 176.117 0.086 0.000 1.142 526 I CA 0.750 62.118 61.300 0.113 0.000 1.451 526 I CB -0.204 37.925 38.000 0.215 0.000 1.093 526 I HN 0.147 nan 8.210 nan 0.000 0.430 527 K N 1.064 121.488 120.400 0.040 0.000 2.362 527 K HA -0.025 4.293 4.320 -0.004 0.000 0.200 527 K C 0.775 177.388 176.600 0.021 0.000 1.046 527 K CA 0.675 56.983 56.287 0.034 0.000 0.952 527 K CB -0.055 32.456 32.500 0.019 0.000 0.753 527 K HN 0.229 nan 8.250 nan 0.000 0.466 528 K N 0.646 121.051 120.400 0.008 0.000 2.117 528 K HA 0.043 4.361 4.320 -0.004 0.000 0.240 528 K C 1.117 177.733 176.600 0.026 0.000 1.031 528 K CA 0.033 56.321 56.287 0.002 0.000 0.909 528 K CB 0.847 33.333 32.500 -0.023 0.000 1.097 528 K HN -0.165 nan 8.250 nan 0.000 0.492 529 E N 0.554 120.767 120.200 0.022 0.000 2.175 529 E HA 0.090 4.438 4.350 -0.004 0.000 0.195 529 E C -0.555 176.070 176.600 0.041 0.000 0.934 529 E CA 1.057 57.476 56.400 0.031 0.000 0.870 529 E CB 0.590 30.303 29.700 0.022 0.000 0.838 529 E HN 0.279 nan 8.360 nan 0.000 0.474 530 K N -0.134 120.288 120.400 0.037 0.000 2.535 530 K HA 0.477 4.795 4.320 -0.004 0.000 0.251 530 K C -1.671 174.959 176.600 0.051 0.000 0.942 530 K CA -0.598 55.721 56.287 0.054 0.000 0.798 530 K CB 3.009 35.538 32.500 0.049 0.000 1.267 530 K HN -0.206 nan 8.250 nan 0.000 0.434 531 V N 3.059 123.017 119.914 0.073 0.000 2.531 531 V HA 0.329 4.447 4.120 -0.004 0.000 0.301 531 V C -1.421 174.754 176.094 0.135 0.000 1.034 531 V CA -0.918 61.419 62.300 0.062 0.000 0.865 531 V CB 1.471 33.295 31.823 0.001 0.000 0.995 531 V HN 0.704 nan 8.190 nan 0.000 0.424 532 Y N 5.284 125.583 120.300 -0.001 0.000 2.335 532 Y HA 0.696 5.244 4.550 -0.004 0.000 0.338 532 Y C -0.896 175.002 175.900 -0.003 0.000 0.977 532 Y CA -0.827 57.277 58.100 0.007 0.000 1.114 532 Y CB 1.509 39.971 38.460 0.002 0.000 1.182 532 Y HN 0.570 nan 8.280 nan 0.000 0.463 533 L N 6.320 127.170 121.223 -0.621 0.000 2.313 533 L HA 0.855 5.193 4.340 -0.004 0.000 0.283 533 L C -0.950 175.554 176.870 -0.609 0.000 1.013 533 L CA -0.620 53.959 54.840 -0.435 0.000 0.816 533 L CB 1.101 43.033 42.059 -0.212 0.000 1.236 533 L HN 0.884 nan 8.230 nan 0.000 0.419 534 A N 4.226 126.846 122.820 -0.333 0.000 2.380 534 A HA 0.619 4.937 4.320 -0.004 0.000 0.315 534 A C -2.045 175.556 177.584 0.028 0.000 1.101 534 A CA -0.503 51.446 52.037 -0.146 0.000 0.771 534 A CB 1.485 20.473 19.000 -0.021 0.000 1.287 534 A HN 0.786 nan 8.150 nan 0.000 0.436 535 W N 1.714 122.966 121.300 -0.081 0.000 2.736 535 W HA 0.646 5.304 4.660 -0.004 0.000 0.335 535 W C -1.601 174.911 176.519 -0.012 0.000 1.059 535 W CA -0.383 56.934 57.345 -0.047 0.000 1.226 535 W CB 1.751 31.178 29.460 -0.054 0.000 1.416 535 W HN 0.572 nan 8.180 nan 0.000 0.505 536 V N 5.898 125.129 119.914 -1.138 0.000 2.962 536 V HA 0.481 4.598 4.120 -0.004 0.000 0.313 536 V C -2.200 172.847 176.094 -1.745 0.000 1.099 536 V CA -2.403 59.262 62.300 -1.058 0.000 0.971 536 V CB 2.346 33.901 31.823 -0.447 0.000 1.028 536 V HN 0.411 nan 8.190 nan 0.000 0.430 537 P HA 0.249 nan 4.420 nan 0.000 0.271 537 P C -0.515 176.559 177.300 -0.377 0.000 1.226 537 P CA 0.137 62.894 63.100 -0.572 0.000 0.765 537 P CB 0.461 32.058 31.700 -0.172 0.000 0.835 538 A N 3.525 126.158 122.820 -0.312 0.000 2.445 538 A HA 0.128 4.446 4.320 -0.004 0.000 0.242 538 A C 0.234 177.633 177.584 -0.308 0.000 1.075 538 A CA 0.062 51.846 52.037 -0.423 0.000 0.777 538 A CB -1.022 17.646 19.000 -0.554 0.000 1.013 538 A HN 0.849 nan 8.150 nan 0.000 0.493 539 H N -0.385 118.662 119.070 -0.038 0.000 2.820 539 H HA -0.113 4.441 4.556 -0.004 0.000 0.295 539 H C 0.468 175.781 175.328 -0.024 0.000 1.187 539 H CA 0.970 57.005 56.048 -0.023 0.000 1.144 539 H CB -0.996 28.763 29.762 -0.006 0.000 1.354 539 H HN 0.610 nan 8.280 nan 0.000 0.395 540 K N -0.131 120.278 120.400 0.015 0.000 2.358 540 K HA 0.253 4.571 4.320 -0.004 0.000 0.200 540 K C 1.595 178.190 176.600 -0.007 0.000 1.030 540 K CA 0.718 57.010 56.287 0.007 0.000 1.097 540 K CB 1.203 33.691 32.500 -0.021 0.000 0.862 540 K HN 0.559 nan 8.250 nan 0.000 0.534 541 G N 2.168 110.959 108.800 -0.015 0.000 2.143 541 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.248 541 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.248 541 G C 0.166 175.038 174.900 -0.045 0.000 0.991 541 G CA -0.255 44.830 45.100 -0.024 0.000 0.689 541 G HN 0.175 nan 8.290 nan 0.000 0.522 542 I N 1.639 122.175 120.570 -0.057 0.000 2.598 542 I HA 0.336 4.503 4.170 -0.004 0.000 0.284 542 I C 1.949 178.013 176.117 -0.088 0.000 1.140 542 I CA 1.139 62.404 61.300 -0.058 0.000 1.420 542 I CB -0.396 37.569 38.000 -0.059 0.000 1.387 542 I HN 0.670 nan 8.210 nan 0.000 0.553 543 G N 5.728 114.469 108.800 -0.098 0.000 2.561 543 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.451 543 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.451 543 G C 1.073 175.747 174.900 -0.377 0.000 1.381 543 G CA 0.498 45.480 45.100 -0.196 0.000 0.942 543 G HN 0.971 nan 8.290 nan 0.000 0.518 544 G N -0.234 108.022 108.800 -0.908 0.000 2.653 544 G HA2 -0.097 3.861 3.960 -0.004 0.000 0.212 544 G HA3 -0.097 3.861 3.960 -0.004 0.000 0.212 544 G C 1.444 176.052 174.900 -0.486 0.000 1.138 544 G CA 1.394 45.866 45.100 -1.047 0.000 0.782 544 G HN 0.816 nan 8.290 nan 0.000 0.535 545 N N 1.005 119.560 118.700 -0.242 0.000 2.142 545 N HA -0.117 4.620 4.740 -0.004 0.000 0.186 545 N C 2.014 177.480 175.510 -0.073 0.000 1.023 545 N CA 1.552 54.575 53.050 -0.045 0.000 0.852 545 N CB -0.256 38.205 38.487 -0.044 0.000 0.998 545 N HN 0.337 nan 8.380 nan 0.000 0.424 546 E N 0.211 120.353 120.200 -0.096 0.000 2.097 546 E HA -0.257 4.091 4.350 -0.004 0.000 0.196 546 E C 1.868 178.435 176.600 -0.055 0.000 1.000 546 E CA 1.596 57.958 56.400 -0.064 0.000 0.804 546 E CB -0.238 29.422 29.700 -0.067 0.000 0.740 546 E HN 0.414 nan 8.360 nan 0.000 0.454 547 Q N -0.439 119.310 119.800 -0.084 0.000 2.020 547 Q HA -0.023 4.314 4.340 -0.004 0.000 0.198 547 Q C 2.216 178.197 176.000 -0.032 0.000 0.974 547 Q CA 1.482 57.246 55.803 -0.065 0.000 0.829 547 Q CB -0.343 28.338 28.738 -0.094 0.000 0.894 547 Q HN 0.309 nan 8.270 nan 0.000 0.433 548 V N 0.650 120.557 119.914 -0.013 0.000 3.041 548 V HA -0.159 3.959 4.120 -0.004 0.000 0.260 548 V C 1.549 177.654 176.094 0.019 0.000 1.105 548 V CA 1.624 63.937 62.300 0.023 0.000 1.125 548 V CB -0.151 31.725 31.823 0.087 0.000 0.730 548 V HN 0.422 nan 8.190 nan 0.000 0.479 549 D N -0.117 120.288 120.400 0.008 0.000 2.149 549 D HA -0.153 4.485 4.640 -0.004 0.000 0.201 549 D C 2.119 178.433 176.300 0.024 0.000 0.972 549 D CA 1.116 55.125 54.000 0.016 0.000 0.835 549 D CB 0.132 40.935 40.800 0.005 0.000 0.966 549 D HN 0.465 nan 8.370 nan 0.000 0.476 550 K N 0.050 120.456 120.400 0.010 0.000 2.155 550 K HA -0.037 4.280 4.320 -0.004 0.000 0.203 550 K C 2.016 178.617 176.600 0.002 0.000 1.052 550 K CA 0.090 56.381 56.287 0.006 0.000 0.948 550 K CB 0.182 32.678 32.500 -0.005 0.000 0.728 550 K HN 0.136 nan 8.250 nan 0.000 0.448 551 L N 1.198 122.418 121.223 -0.004 0.000 2.275 551 L HA -0.039 4.299 4.340 -0.004 0.000 0.215 551 L C 0.731 177.598 176.870 -0.005 0.000 1.119 551 L CA 1.191 56.024 54.840 -0.012 0.000 0.790 551 L CB -0.245 41.798 42.059 -0.025 0.000 0.919 551 L HN -0.058 nan 8.230 nan 0.000 0.443 552 V N -1.293 118.626 119.914 0.008 0.000 2.311 552 V HA 0.725 4.843 4.120 -0.004 0.000 0.275 552 V C -0.109 175.998 176.094 0.021 0.000 1.022 552 V CA -0.122 62.188 62.300 0.015 0.000 0.830 552 V CB 0.664 32.503 31.823 0.026 0.000 1.012 552 V HN 0.391 nan 8.190 nan 0.000 0.452 553 S N 0.000 115.709 115.700 0.015 0.000 2.498 553 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 553 S CA 0.000 58.210 58.200 0.016 0.000 1.107 553 S CB 0.000 63.210 63.200 0.017 0.000 0.593 553 S HN 0.000 nan 8.310 nan 0.000 0.517