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 1iky_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.367 177.300 0.111 0.000 1.155 1 P CA 0.000 63.150 63.100 0.082 0.000 0.800 1 P CB 0.000 31.743 31.700 0.072 0.000 0.726 2 I N 0.038 120.671 120.570 0.105 0.000 2.560 2 I HA 0.247 4.417 4.170 -0.000 0.000 0.278 2 I C -0.076 176.114 176.117 0.122 0.000 1.089 2 I CA -0.541 60.836 61.300 0.128 0.000 1.086 2 I CB 1.780 39.849 38.000 0.115 0.000 1.202 2 I HN 0.377 nan 8.210 nan 0.000 0.471 3 S N 7.441 123.232 115.700 0.151 0.000 2.817 3 S HA -0.005 4.465 4.470 -0.000 0.000 0.333 3 S C -0.944 173.759 174.600 0.172 0.000 1.227 3 S CA -0.387 57.923 58.200 0.185 0.000 1.027 3 S CB 0.554 63.878 63.200 0.208 0.000 0.732 3 S HN 0.516 nan 8.310 nan 0.000 0.499 4 P HA 0.049 nan 4.420 nan 0.000 0.242 4 P C 0.793 178.220 177.300 0.212 0.000 1.197 4 P CA 0.100 63.258 63.100 0.096 0.000 0.765 4 P CB -0.083 31.569 31.700 -0.080 0.000 0.936 5 I N 0.721 121.507 120.570 0.359 0.000 2.872 5 I HA -0.095 4.075 4.170 -0.000 0.000 0.291 5 I C 1.100 177.322 176.117 0.175 0.000 1.216 5 I CA -0.008 61.490 61.300 0.329 0.000 1.424 5 I CB 0.495 38.602 38.000 0.179 0.000 1.351 5 I HN -0.103 nan 8.210 nan 0.000 0.592 6 E N 3.982 124.265 120.200 0.138 0.000 2.428 6 E HA 0.070 4.420 4.350 -0.000 0.000 0.257 6 E C -0.487 176.159 176.600 0.078 0.000 1.197 6 E CA -0.032 56.425 56.400 0.096 0.000 0.974 6 E CB 0.599 30.345 29.700 0.077 0.000 0.976 6 E HN 0.587 nan 8.360 nan 0.000 0.463 7 T N -1.330 113.269 114.554 0.075 0.000 2.895 7 T HA 0.518 4.868 4.350 -0.000 0.000 0.283 7 T C -0.481 174.259 174.700 0.066 0.000 1.014 7 T CA -1.034 61.112 62.100 0.076 0.000 1.037 7 T CB 1.174 70.100 68.868 0.096 0.000 1.006 7 T HN 0.160 nan 8.240 nan 0.000 0.468 8 V N 5.038 124.992 119.914 0.066 0.000 2.389 8 V HA 0.319 4.439 4.120 -0.000 0.000 0.264 8 V C -1.739 174.405 176.094 0.084 0.000 1.049 8 V CA -1.650 60.690 62.300 0.066 0.000 0.932 8 V CB 0.290 32.151 31.823 0.064 0.000 1.011 8 V HN 0.827 nan 8.190 nan 0.000 0.475 9 P HA 0.213 nan 4.420 nan 0.000 0.271 9 P C -0.577 176.750 177.300 0.045 0.000 1.226 9 P CA 0.341 63.482 63.100 0.068 0.000 0.765 9 P CB 1.668 33.399 31.700 0.053 0.000 0.835 10 V N 2.735 122.665 119.914 0.027 0.000 3.040 10 V HA 0.845 4.965 4.120 -0.000 0.000 0.312 10 V C -0.962 175.101 176.094 -0.052 0.000 1.115 10 V CA -0.939 61.320 62.300 -0.069 0.000 0.998 10 V CB 2.554 34.309 31.823 -0.113 0.000 1.042 10 V HN 0.776 nan 8.190 nan 0.000 0.433 11 K N 3.690 124.042 120.400 -0.080 0.000 2.533 11 K HA 0.676 4.996 4.320 -0.000 0.000 0.272 11 K C -1.510 175.101 176.600 0.020 0.000 0.985 11 K CA -1.063 55.245 56.287 0.034 0.000 0.876 11 K CB 2.096 34.608 32.500 0.020 0.000 1.452 11 K HN 0.735 nan 8.250 nan 0.000 0.439 12 L N 1.348 122.584 121.223 0.021 0.000 2.475 12 L HA 0.318 4.658 4.340 -0.000 0.000 0.253 12 L C 0.241 177.100 176.870 -0.018 0.000 1.198 12 L CA -0.896 53.941 54.840 -0.006 0.000 0.814 12 L CB 0.379 42.362 42.059 -0.126 0.000 1.134 12 L HN 0.578 nan 8.230 nan 0.000 0.478 13 K N 1.686 122.081 120.400 -0.008 0.000 2.451 13 K HA 0.028 4.348 4.320 -0.000 0.000 0.280 13 K C -1.622 174.976 176.600 -0.004 0.000 1.020 13 K CA -1.051 55.228 56.287 -0.012 0.000 1.008 13 K CB 0.314 32.815 32.500 0.001 0.000 0.917 13 K HN 0.279 nan 8.250 nan 0.000 0.478 14 P HA -0.338 nan 4.420 nan 0.000 0.221 14 P C 1.153 178.463 177.300 0.017 0.000 0.967 14 P CA 2.139 65.241 63.100 0.004 0.000 1.038 14 P CB 0.024 31.724 31.700 0.000 0.000 0.731 15 G N -2.353 106.459 108.800 0.019 0.000 2.511 15 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 15 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 15 G C 0.612 175.534 174.900 0.036 0.000 1.133 15 G CA 0.302 45.418 45.100 0.028 0.000 0.792 15 G HN 0.225 nan 8.290 nan 0.000 0.539 16 M N 0.351 119.970 119.600 0.031 0.000 2.198 16 M HA 0.355 4.835 4.480 -0.000 0.000 0.315 16 M C -0.308 176.017 176.300 0.041 0.000 1.134 16 M CA -0.194 55.129 55.300 0.038 0.000 1.171 16 M CB 0.971 33.590 32.600 0.032 0.000 1.413 16 M HN 0.001 nan 8.290 nan 0.000 0.467 17 D N -0.177 120.261 120.400 0.062 0.000 2.450 17 D HA 0.536 5.176 4.640 -0.000 0.000 0.238 17 D C -0.014 176.315 176.300 0.048 0.000 1.020 17 D CA -0.256 53.800 54.000 0.094 0.000 1.010 17 D CB 1.343 42.250 40.800 0.180 0.000 1.342 17 D HN 0.637 nan 8.370 nan 0.000 0.530 18 G N 0.340 109.125 108.800 -0.024 0.000 2.846 18 G HA2 0.220 4.180 3.960 -0.000 0.000 0.257 18 G HA3 0.220 4.180 3.960 -0.000 0.000 0.257 18 G C -2.160 172.777 174.900 0.062 0.000 1.253 18 G CA -0.612 44.362 45.100 -0.211 0.000 0.918 18 G HN 0.522 nan 8.290 nan 0.000 0.597 19 P HA 0.368 nan 4.420 nan 0.000 0.286 19 P C -1.151 176.311 177.300 0.270 0.000 1.261 19 P CA -0.511 62.697 63.100 0.179 0.000 0.821 19 P CB 1.584 33.379 31.700 0.159 0.000 1.013 20 K N 1.545 122.066 120.400 0.202 0.000 3.207 20 K HA 0.310 4.630 4.320 -0.000 0.000 0.166 20 K C -0.702 175.967 176.600 0.114 0.000 1.079 20 K CA -0.447 55.939 56.287 0.166 0.000 0.818 20 K CB 1.059 33.646 32.500 0.145 0.000 0.967 20 K HN 0.190 nan 8.250 nan 0.000 0.594 21 V N 1.149 121.128 119.914 0.108 0.000 2.509 21 V HA 0.239 4.359 4.120 -0.000 0.000 0.284 21 V C 0.314 176.455 176.094 0.079 0.000 1.047 21 V CA -0.858 61.496 62.300 0.090 0.000 0.952 21 V CB 1.211 33.084 31.823 0.085 0.000 0.988 21 V HN 0.293 nan 8.190 nan 0.000 0.469 22 K N 3.052 123.505 120.400 0.088 0.000 2.368 22 K HA 0.177 4.497 4.320 -0.000 0.000 0.282 22 K C -0.083 176.582 176.600 0.109 0.000 1.035 22 K CA 0.025 56.366 56.287 0.089 0.000 0.973 22 K CB 0.604 33.167 32.500 0.106 0.000 0.957 22 K HN 0.717 nan 8.250 nan 0.000 0.474 23 Q N 4.980 124.827 119.800 0.077 0.000 2.307 23 Q HA 0.068 4.408 4.340 -0.000 0.000 0.261 23 Q C -1.232 174.851 176.000 0.138 0.000 1.051 23 Q CA -0.086 55.762 55.803 0.075 0.000 0.911 23 Q CB 0.289 29.039 28.738 0.021 0.000 1.227 23 Q HN 0.640 nan 8.270 nan 0.000 0.418 24 W N 7.018 128.339 121.300 0.035 0.000 2.216 24 W HA 0.274 4.934 4.660 -0.000 0.000 0.326 24 W C -2.363 174.196 176.519 0.067 0.000 1.319 24 W CA -2.165 55.226 57.345 0.076 0.000 1.213 24 W CB 0.752 30.304 29.460 0.153 0.000 1.171 24 W HN 0.554 nan 8.180 nan 0.000 0.557 25 P HA -0.073 nan 4.420 nan 0.000 0.261 25 P C -0.457 176.718 177.300 -0.208 0.000 1.203 25 P CA 0.411 63.220 63.100 -0.484 0.000 0.767 25 P CB 0.199 31.489 31.700 -0.683 0.000 0.785 26 L N 2.792 123.994 121.223 -0.035 0.000 2.352 26 L HA 0.467 4.807 4.340 -0.000 0.000 0.269 26 L C 1.287 178.156 176.870 -0.001 0.000 1.034 26 L CA -0.462 54.414 54.840 0.060 0.000 0.806 26 L CB 0.601 42.706 42.059 0.075 0.000 1.244 26 L HN 0.299 nan 8.230 nan 0.000 0.447 27 T N -2.635 111.929 114.554 0.018 0.000 2.788 27 T HA 0.209 4.559 4.350 -0.000 0.000 0.287 27 T C 1.066 175.739 174.700 -0.045 0.000 1.007 27 T CA -0.492 61.606 62.100 -0.004 0.000 1.005 27 T CB 1.103 69.990 68.868 0.030 0.000 1.012 27 T HN 0.565 nan 8.240 nan 0.000 0.530 28 E N 0.832 121.010 120.200 -0.036 0.000 2.038 28 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 28 E C 2.196 178.744 176.600 -0.086 0.000 1.000 28 E CA 1.871 58.241 56.400 -0.050 0.000 0.803 28 E CB -0.189 29.496 29.700 -0.024 0.000 0.750 28 E HN 0.936 nan 8.360 nan 0.000 0.448 29 E N 1.471 121.633 120.200 -0.065 0.000 2.097 29 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 29 E C 1.895 178.252 176.600 -0.405 0.000 1.000 29 E CA 1.335 57.676 56.400 -0.098 0.000 0.804 29 E CB -0.215 29.536 29.700 0.085 0.000 0.740 29 E HN 0.118 nan 8.360 nan 0.000 0.454 30 K N 0.555 120.694 120.400 -0.433 0.000 2.062 30 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 30 K C 2.284 178.655 176.600 -0.381 0.000 1.051 30 K CA 1.380 57.293 56.287 -0.623 0.000 0.941 30 K CB -0.159 32.154 32.500 -0.312 0.000 0.719 30 K HN 0.174 nan 8.250 nan 0.000 0.440 31 I N 1.543 121.987 120.570 -0.210 0.000 2.286 31 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 31 I C 2.599 178.635 176.117 -0.135 0.000 1.115 31 I CA 1.234 62.456 61.300 -0.131 0.000 1.392 31 I CB -0.251 37.699 38.000 -0.083 0.000 1.065 31 I HN 0.180 nan 8.210 nan 0.000 0.418 32 K N 1.618 121.924 120.400 -0.156 0.000 2.025 32 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 32 K C 2.267 178.780 176.600 -0.145 0.000 1.049 32 K CA 1.447 57.663 56.287 -0.118 0.000 0.933 32 K CB -0.147 32.299 32.500 -0.089 0.000 0.714 32 K HN 0.242 nan 8.250 nan 0.000 0.438 33 A N 1.981 124.629 122.820 -0.286 0.000 1.859 33 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 33 A C 2.186 179.681 177.584 -0.148 0.000 1.209 33 A CA 1.969 53.825 52.037 -0.302 0.000 0.639 33 A CB -1.064 17.454 19.000 -0.804 0.000 0.835 33 A HN 0.388 nan 8.150 nan 0.000 0.450 34 L N -0.423 120.708 121.223 -0.155 0.000 2.129 34 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 34 L C 2.462 179.316 176.870 -0.027 0.000 1.087 34 L CA 1.230 56.035 54.840 -0.060 0.000 0.757 34 L CB -0.653 41.387 42.059 -0.031 0.000 0.896 34 L HN 0.307 nan 8.230 nan 0.000 0.434 35 V N -0.452 119.445 119.914 -0.028 0.000 2.323 35 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 35 V C 2.261 178.351 176.094 -0.007 0.000 1.041 35 V CA 1.572 63.874 62.300 0.004 0.000 1.025 35 V CB -0.438 31.385 31.823 0.001 0.000 0.656 35 V HN 0.448 nan 8.190 nan 0.000 0.451 36 E N 0.089 120.279 120.200 -0.016 0.000 2.204 36 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 36 E C 2.068 178.662 176.600 -0.009 0.000 0.990 36 E CA 1.317 57.715 56.400 -0.004 0.000 0.821 36 E CB -0.129 29.577 29.700 0.009 0.000 0.750 36 E HN 0.595 nan 8.360 nan 0.000 0.477 37 I N 0.308 120.866 120.570 -0.019 0.000 2.260 37 I HA -0.223 3.947 4.170 -0.000 0.000 0.237 37 I C 2.447 178.511 176.117 -0.088 0.000 1.075 37 I CA 0.418 61.700 61.300 -0.031 0.000 1.376 37 I CB -0.441 37.550 38.000 -0.014 0.000 1.107 37 I HN 0.178 nan 8.210 nan 0.000 0.420 38 C N 0.863 120.084 119.300 -0.132 0.000 2.403 38 C HA -0.184 4.276 4.460 -0.000 0.000 0.277 38 C C 3.052 177.892 174.990 -0.250 0.000 1.248 38 C CA 1.642 60.481 59.018 -0.298 0.000 1.762 38 C CB -1.246 26.200 27.740 -0.490 0.000 2.014 38 C HN 0.540 nan 8.230 nan 0.000 0.486 39 T N 0.252 114.749 114.554 -0.096 0.000 2.759 39 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 39 T C 1.714 176.388 174.700 -0.044 0.000 1.042 39 T CA 1.904 63.991 62.100 -0.022 0.000 1.140 39 T CB -0.292 68.583 68.868 0.011 0.000 0.864 39 T HN 0.575 nan 8.240 nan 0.000 0.455 40 E N 1.062 121.228 120.200 -0.058 0.000 2.047 40 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 40 E C 2.127 178.679 176.600 -0.080 0.000 0.987 40 E CA 1.266 57.636 56.400 -0.051 0.000 0.799 40 E CB -0.354 29.323 29.700 -0.039 0.000 0.752 40 E HN 0.480 nan 8.360 nan 0.000 0.449 41 M N 0.124 119.642 119.600 -0.135 0.000 2.059 41 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 41 M C 2.404 178.623 176.300 -0.136 0.000 1.072 41 M CA 2.092 57.284 55.300 -0.181 0.000 1.117 41 M CB -0.483 31.952 32.600 -0.275 0.000 1.320 41 M HN 0.179 nan 8.290 nan 0.000 0.408 42 E N 0.845 120.962 120.200 -0.138 0.000 2.169 42 E HA -0.301 4.049 4.350 -0.000 0.000 0.202 42 E C 1.844 178.433 176.600 -0.019 0.000 1.016 42 E CA 1.671 58.040 56.400 -0.052 0.000 0.817 42 E CB -0.115 29.604 29.700 0.031 0.000 0.736 42 E HN 0.347 nan 8.360 nan 0.000 0.462 43 K N -0.115 120.271 120.400 -0.024 0.000 2.442 43 K HA -0.128 4.192 4.320 -0.000 0.000 0.198 43 K C 1.042 177.636 176.600 -0.010 0.000 1.042 43 K CA 1.313 57.593 56.287 -0.010 0.000 0.958 43 K CB 0.170 32.663 32.500 -0.010 0.000 0.766 43 K HN 0.260 nan 8.250 nan 0.000 0.474 44 E N -1.897 118.289 120.200 -0.022 0.000 2.511 44 E HA 0.113 4.463 4.350 -0.000 0.000 0.209 44 E C 0.722 177.322 176.600 0.001 0.000 0.986 44 E CA 0.414 56.807 56.400 -0.011 0.000 0.974 44 E CB 1.201 30.888 29.700 -0.021 0.000 1.030 44 E HN 0.410 nan 8.360 nan 0.000 0.490 45 G N 2.089 110.887 108.800 -0.004 0.000 2.195 45 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.224 45 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.224 45 G C 1.149 176.063 174.900 0.022 0.000 0.990 45 G CA 0.306 45.417 45.100 0.018 0.000 0.639 45 G HN 0.006 nan 8.290 nan 0.000 0.514 46 K N 0.419 120.805 120.400 -0.023 0.000 2.097 46 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 46 K C 1.627 178.196 176.600 -0.052 0.000 1.049 46 K CA 1.817 58.086 56.287 -0.030 0.000 0.933 46 K CB -0.310 32.070 32.500 -0.201 0.000 0.717 46 K HN 0.947 nan 8.250 nan 0.000 0.442 47 I N -3.496 117.003 120.570 -0.117 0.000 3.074 47 I HA 0.447 4.617 4.170 -0.000 0.000 0.310 47 I C -0.860 175.270 176.117 0.022 0.000 1.153 47 I CA -0.958 60.268 61.300 -0.123 0.000 0.993 47 I CB 2.590 40.404 38.000 -0.309 0.000 1.237 47 I HN -0.320 nan 8.210 nan 0.000 0.443 48 S N 1.434 117.194 115.700 0.101 0.000 2.549 48 S HA 0.458 4.928 4.470 -0.000 0.000 0.280 48 S C -0.861 173.794 174.600 0.090 0.000 1.109 48 S CA -0.915 57.349 58.200 0.107 0.000 0.905 48 S CB 2.040 65.267 63.200 0.045 0.000 1.081 48 S HN 0.491 nan 8.310 nan 0.000 0.477 49 K N 2.231 122.609 120.400 -0.036 0.000 2.322 49 K HA 0.448 4.768 4.320 -0.000 0.000 0.283 49 K C -0.054 176.426 176.600 -0.199 0.000 1.042 49 K CA -0.008 56.117 56.287 -0.270 0.000 0.958 49 K CB 0.244 32.581 32.500 -0.271 0.000 0.984 49 K HN 0.598 nan 8.250 nan 0.000 0.473 50 I N -1.753 118.666 120.570 -0.251 0.000 3.457 50 I HA 0.722 4.892 4.170 -0.000 0.000 0.307 50 I C 0.032 176.033 176.117 -0.193 0.000 1.138 50 I CA -1.065 60.129 61.300 -0.176 0.000 0.974 50 I CB 2.017 39.934 38.000 -0.139 0.000 1.324 50 I HN 0.521 nan 8.210 nan 0.000 0.485 51 G N 0.032 108.742 108.800 -0.150 0.000 2.932 51 G HA2 0.647 4.607 3.960 -0.000 0.000 0.283 51 G HA3 0.647 4.607 3.960 -0.000 0.000 0.283 51 G C -2.720 172.100 174.900 -0.134 0.000 1.336 51 G CA -1.572 43.442 45.100 -0.142 0.000 1.056 51 G HN 0.481 nan 8.290 nan 0.000 0.522 52 P HA 0.197 nan 4.420 nan 0.000 0.258 52 P C 0.065 177.297 177.300 -0.113 0.000 1.559 52 P CA 0.348 63.380 63.100 -0.114 0.000 0.855 52 P CB 0.294 31.933 31.700 -0.100 0.000 1.594 53 E N -1.695 118.435 120.200 -0.118 0.000 2.472 53 E HA 0.032 4.382 4.350 -0.000 0.000 0.196 53 E C 0.628 177.133 176.600 -0.159 0.000 1.033 53 E CA 0.053 56.381 56.400 -0.119 0.000 0.886 53 E CB -0.213 29.428 29.700 -0.099 0.000 0.944 53 E HN 0.074 nan 8.360 nan 0.000 0.492 54 N N 1.699 120.297 118.700 -0.170 0.000 2.462 54 N HA 0.102 4.842 4.740 -0.000 0.000 0.242 54 N C -2.069 173.260 175.510 -0.300 0.000 1.010 54 N CA -1.893 51.022 53.050 -0.224 0.000 0.939 54 N CB 1.120 39.528 38.487 -0.132 0.000 1.127 54 N HN -0.160 nan 8.380 nan 0.000 0.509 55 P HA 0.035 nan 4.420 nan 0.000 0.239 55 P C -0.860 176.183 177.300 -0.429 0.000 1.184 55 P CA 0.770 63.569 63.100 -0.501 0.000 0.760 55 P CB -0.163 31.176 31.700 -0.600 0.000 0.884 56 Y N 0.129 120.411 120.300 -0.031 0.000 2.331 56 Y HA 0.531 5.081 4.550 -0.000 0.000 0.338 56 Y C 0.536 176.443 175.900 0.013 0.000 0.992 56 Y CA -1.510 56.592 58.100 0.004 0.000 1.121 56 Y CB 0.582 39.037 38.460 -0.007 0.000 1.184 56 Y HN -0.218 nan 8.280 nan 0.000 0.469 57 N N 0.579 119.391 118.700 0.187 0.000 2.235 57 N HA 0.630 5.370 4.740 -0.000 0.000 0.293 57 N C -1.688 173.898 175.510 0.127 0.000 1.083 57 N CA -0.457 52.670 53.050 0.127 0.000 0.801 57 N CB 1.614 40.140 38.487 0.065 0.000 1.559 57 N HN 0.507 nan 8.380 nan 0.000 0.472 58 T N 2.971 117.595 114.554 0.118 0.000 2.841 58 T HA 0.455 4.805 4.350 -0.000 0.000 0.285 58 T C -2.755 171.914 174.700 -0.052 0.000 0.991 58 T CA -1.043 61.075 62.100 0.031 0.000 0.966 58 T CB 1.776 70.635 68.868 -0.015 0.000 0.962 58 T HN 0.350 nan 8.240 nan 0.000 0.438 59 P HA 0.133 nan 4.420 nan 0.000 0.261 59 P C -0.874 176.112 177.300 -0.522 0.000 1.173 59 P CA -0.068 62.856 63.100 -0.294 0.000 0.760 59 P CB 0.384 31.916 31.700 -0.281 0.000 0.783 60 V N 4.525 124.111 119.914 -0.547 0.000 2.628 60 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 60 V C -0.079 175.641 176.094 -0.624 0.000 1.045 60 V CA -0.273 61.735 62.300 -0.487 0.000 0.905 60 V CB 1.336 33.080 31.823 -0.132 0.000 0.997 60 V HN 0.365 nan 8.190 nan 0.000 0.436 61 F N 0.707 120.668 119.950 0.019 0.000 2.876 61 F HA 0.966 5.493 4.527 -0.000 0.000 0.358 61 F C 0.236 176.068 175.800 0.054 0.000 1.209 61 F CA -0.932 57.097 58.000 0.048 0.000 1.051 61 F CB 1.586 40.620 39.000 0.056 0.000 1.474 61 F HN 0.650 nan 8.300 nan 0.000 0.521 62 A N 1.052 124.087 122.820 0.359 0.000 2.547 62 A HA 0.626 4.946 4.320 -0.000 0.000 0.300 62 A C -1.918 175.951 177.584 0.475 0.000 1.061 62 A CA -0.294 51.935 52.037 0.320 0.000 0.808 62 A CB 0.800 19.880 19.000 0.134 0.000 1.304 62 A HN 0.756 nan 8.150 nan 0.000 0.393 63 I N 1.140 121.972 120.570 0.436 0.000 2.892 63 I HA 0.546 4.716 4.170 -0.000 0.000 0.306 63 I C -0.493 175.707 176.117 0.138 0.000 1.078 63 I CA -1.001 60.476 61.300 0.296 0.000 1.032 63 I CB 2.052 40.129 38.000 0.128 0.000 1.229 63 I HN 0.723 nan 8.210 nan 0.000 0.435 64 K N 3.811 124.094 120.400 -0.196 0.000 2.185 64 K HA 0.234 4.554 4.320 -0.000 0.000 0.271 64 K C -0.464 176.022 176.600 -0.190 0.000 1.013 64 K CA -0.539 55.501 56.287 -0.411 0.000 0.943 64 K CB 1.308 33.432 32.500 -0.627 0.000 0.998 64 K HN 0.302 nan 8.250 nan 0.000 0.468 65 K N 1.519 121.819 120.400 -0.165 0.000 2.386 65 K HA 0.082 4.401 4.320 -0.000 0.000 0.249 65 K C -0.405 176.137 176.600 -0.097 0.000 1.055 65 K CA -0.132 56.102 56.287 -0.089 0.000 0.930 65 K CB 0.439 32.906 32.500 -0.055 0.000 1.230 65 K HN 0.143 nan 8.250 nan 0.000 0.507 66 K N 2.515 122.876 120.400 -0.065 0.000 2.404 66 K HA -0.148 4.172 4.320 -0.000 0.000 0.271 66 K C -0.476 176.082 176.600 -0.069 0.000 1.130 66 K CA 1.192 57.444 56.287 -0.058 0.000 1.181 66 K CB -0.723 31.753 32.500 -0.040 0.000 0.840 66 K HN 0.741 nan 8.250 nan 0.000 0.483 67 D N 1.538 121.895 120.400 -0.072 0.000 3.079 67 D HA -0.204 4.436 4.640 -0.000 0.000 0.214 67 D C -1.073 175.165 176.300 -0.103 0.000 1.145 67 D CA 1.404 55.360 54.000 -0.074 0.000 0.958 67 D CB -1.001 39.767 40.800 -0.054 0.000 1.117 67 D HN 0.627 nan 8.370 nan 0.000 0.416 68 S N -2.437 113.177 115.700 -0.144 0.000 3.968 68 S HA -0.215 4.255 4.470 -0.000 0.000 0.373 68 S C 1.312 175.786 174.600 -0.210 0.000 0.974 68 S CA 1.303 59.367 58.200 -0.227 0.000 1.124 68 S CB -2.099 60.965 63.200 -0.226 0.000 0.862 68 S HN 0.680 nan 8.310 nan 0.000 0.492 69 T N -1.523 112.936 114.554 -0.159 0.000 2.781 69 T HA 0.226 4.576 4.350 -0.000 0.000 0.252 69 T C 0.643 175.274 174.700 -0.114 0.000 1.039 69 T CA 0.531 62.566 62.100 -0.107 0.000 1.147 69 T CB 0.206 69.038 68.868 -0.060 0.000 0.865 69 T HN 0.492 nan 8.240 nan 0.000 0.423 70 K N -0.418 119.915 120.400 -0.112 0.000 2.400 70 K HA 0.515 4.835 4.320 -0.000 0.000 0.246 70 K C -1.401 175.145 176.600 -0.090 0.000 0.995 70 K CA -0.975 55.285 56.287 -0.044 0.000 0.840 70 K CB 1.796 34.318 32.500 0.035 0.000 1.293 70 K HN 0.213 nan 8.250 nan 0.000 0.445 71 W N 0.770 122.085 121.300 0.024 0.000 2.260 71 W HA 0.466 5.126 4.660 -0.000 0.000 0.366 71 W C 0.278 176.817 176.519 0.034 0.000 1.315 71 W CA -0.239 57.124 57.345 0.031 0.000 1.458 71 W CB 0.752 30.233 29.460 0.036 0.000 1.255 71 W HN 0.325 nan 8.180 nan 0.000 0.671 72 R N 1.312 122.022 120.500 0.351 0.000 2.725 72 R HA 0.298 4.638 4.340 -0.000 0.000 0.277 72 R C -1.184 175.237 176.300 0.201 0.000 0.987 72 R CA -0.926 55.301 56.100 0.212 0.000 0.901 72 R CB 1.555 31.944 30.300 0.149 0.000 1.207 72 R HN 0.422 nan 8.270 nan 0.000 0.463 73 K N 4.710 125.193 120.400 0.140 0.000 2.266 73 K HA 0.209 4.529 4.320 -0.000 0.000 0.274 73 K C -1.152 175.503 176.600 0.091 0.000 1.090 73 K CA -0.538 55.806 56.287 0.094 0.000 0.925 73 K CB 0.647 33.167 32.500 0.033 0.000 1.225 73 K HN 0.370 nan 8.250 nan 0.000 0.458 74 L N 5.097 126.392 121.223 0.120 0.000 2.292 74 L HA 0.272 4.612 4.340 -0.000 0.000 0.284 74 L C -1.044 175.841 176.870 0.026 0.000 1.065 74 L CA -0.251 54.668 54.840 0.132 0.000 0.806 74 L CB 1.584 43.784 42.059 0.236 0.000 1.175 74 L HN 0.305 nan 8.230 nan 0.000 0.431 75 V N 3.972 123.858 119.914 -0.045 0.000 2.305 75 V HA 0.204 4.324 4.120 -0.000 0.000 0.275 75 V C -0.440 175.466 176.094 -0.314 0.000 1.020 75 V CA -0.846 61.258 62.300 -0.327 0.000 0.811 75 V CB 1.012 32.488 31.823 -0.579 0.000 1.031 75 V HN 0.696 nan 8.190 nan 0.000 0.439 76 D N 3.002 123.299 120.400 -0.172 0.000 2.359 76 D HA 0.103 4.743 4.640 -0.000 0.000 0.273 76 D C 0.549 176.797 176.300 -0.087 0.000 1.362 76 D CA 0.593 54.596 54.000 0.006 0.000 1.010 76 D CB 0.170 41.061 40.800 0.153 0.000 1.090 76 D HN 0.479 nan 8.370 nan 0.000 0.521 77 F N 2.262 122.279 119.950 0.112 0.000 2.776 77 F HA 0.159 4.686 4.527 -0.000 0.000 0.300 77 F C 2.180 178.065 175.800 0.141 0.000 1.116 77 F CA -0.405 57.674 58.000 0.131 0.000 1.375 77 F CB 0.173 39.280 39.000 0.177 0.000 1.109 77 F HN 0.277 nan 8.300 nan 0.000 0.585 78 R N 0.495 121.161 120.500 0.277 0.000 2.224 78 R HA -0.287 4.053 4.340 -0.000 0.000 0.251 78 R C 1.908 178.325 176.300 0.195 0.000 1.123 78 R CA 2.110 58.332 56.100 0.203 0.000 0.944 78 R CB -0.681 29.706 30.300 0.146 0.000 0.910 78 R HN 0.246 nan 8.270 nan 0.000 0.440 79 E N 0.497 120.806 120.200 0.181 0.000 2.077 79 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 79 E C 1.976 178.691 176.600 0.190 0.000 0.989 79 E CA 0.922 57.419 56.400 0.162 0.000 0.800 79 E CB -0.237 29.547 29.700 0.140 0.000 0.746 79 E HN 0.171 nan 8.360 nan 0.000 0.452 80 L N 1.672 123.054 121.223 0.265 0.000 2.044 80 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 80 L C 1.529 178.595 176.870 0.326 0.000 1.075 80 L CA 1.532 56.546 54.840 0.289 0.000 0.747 80 L CB -0.687 41.607 42.059 0.391 0.000 0.903 80 L HN -0.020 nan 8.230 nan 0.000 0.435 81 N N 0.117 119.031 118.700 0.356 0.000 2.417 81 N HA -0.192 4.548 4.740 -0.000 0.000 0.187 81 N C 1.532 177.152 175.510 0.182 0.000 1.027 81 N CA 1.061 54.279 53.050 0.279 0.000 0.891 81 N CB -0.122 38.494 38.487 0.215 0.000 0.956 81 N HN 0.503 nan 8.380 nan 0.000 0.442 82 K N -0.013 120.488 120.400 0.168 0.000 2.323 82 K HA 0.153 4.473 4.320 -0.000 0.000 0.197 82 K C 1.379 178.042 176.600 0.104 0.000 1.043 82 K CA 0.349 56.705 56.287 0.116 0.000 0.997 82 K CB 0.354 32.916 32.500 0.103 0.000 0.807 82 K HN 0.035 nan 8.250 nan 0.000 0.497 83 R N 0.172 120.746 120.500 0.125 0.000 2.362 83 R HA 0.117 4.457 4.340 -0.000 0.000 0.227 83 R C -0.016 176.348 176.300 0.106 0.000 0.905 83 R CA 0.144 56.297 56.100 0.088 0.000 1.067 83 R CB 0.724 31.060 30.300 0.060 0.000 1.078 83 R HN -0.077 nan 8.270 nan 0.000 0.516 84 T N 2.170 116.835 114.554 0.186 0.000 2.889 84 T HA 0.074 4.424 4.350 -0.000 0.000 0.291 84 T C 0.094 174.837 174.700 0.072 0.000 0.995 84 T CA -0.564 61.676 62.100 0.233 0.000 1.092 84 T CB 1.241 70.386 68.868 0.462 0.000 0.954 84 T HN 0.242 nan 8.240 nan 0.000 0.506 85 Q N 2.534 122.307 119.800 -0.044 0.000 2.540 85 Q HA 0.122 4.462 4.340 -0.000 0.000 0.256 85 Q C -0.721 175.089 176.000 -0.316 0.000 1.084 85 Q CA -0.251 55.426 55.803 -0.209 0.000 0.956 85 Q CB 0.473 28.998 28.738 -0.354 0.000 1.303 85 Q HN 0.454 nan 8.270 nan 0.000 0.509 86 D N 0.521 120.747 120.400 -0.289 0.000 2.283 86 D HA 0.332 4.972 4.640 -0.000 0.000 0.248 86 D C -0.694 175.356 176.300 -0.417 0.000 1.072 86 D CA 0.036 53.921 54.000 -0.191 0.000 0.929 86 D CB 0.604 41.365 40.800 -0.065 0.000 1.182 86 D HN 0.373 nan 8.370 nan 0.000 0.433 87 F N -0.556 119.364 119.950 -0.050 0.000 2.661 87 F HA 0.337 4.864 4.527 -0.000 0.000 0.347 87 F C 0.750 176.628 175.800 0.129 0.000 1.086 87 F CA -1.051 56.943 58.000 -0.009 0.000 1.016 87 F CB 1.160 40.097 39.000 -0.104 0.000 1.368 87 F HN 0.301 nan 8.300 nan 0.000 0.505 88 W N 0.666 122.038 121.300 0.120 0.000 1.779 88 W HA 0.225 4.885 4.660 -0.000 0.000 0.409 88 W C -0.426 176.116 176.519 0.038 0.000 1.812 88 W CA -0.479 56.893 57.345 0.044 0.000 1.994 88 W CB 0.620 30.095 29.460 0.025 0.000 1.415 88 W HN 0.255 nan 8.180 nan 0.000 0.745 89 E N 0.726 120.500 120.200 -0.709 0.000 2.191 89 E HA 0.103 4.453 4.350 -0.000 0.000 0.278 89 E C 0.846 177.232 176.600 -0.357 0.000 0.972 89 E CA -0.275 55.797 56.400 -0.546 0.000 0.804 89 E CB 2.030 31.294 29.700 -0.726 0.000 1.110 89 E HN 0.279 nan 8.360 nan 0.000 0.394 90 V N 2.044 121.843 119.914 -0.192 0.000 2.343 90 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 90 V C 0.723 176.780 176.094 -0.061 0.000 1.051 90 V CA 1.653 63.893 62.300 -0.100 0.000 1.036 90 V CB -0.327 31.445 31.823 -0.085 0.000 0.654 90 V HN 0.529 nan 8.190 nan 0.000 0.451 91 Q N -1.309 118.443 119.800 -0.080 0.000 2.289 91 Q HA 0.413 4.753 4.340 -0.000 0.000 0.270 91 Q C -0.540 175.411 176.000 -0.082 0.000 1.038 91 Q CA -0.583 55.211 55.803 -0.016 0.000 0.812 91 Q CB 2.326 31.119 28.738 0.092 0.000 1.300 91 Q HN 0.057 nan 8.270 nan 0.000 0.427 92 L N 0.638 121.820 121.223 -0.069 0.000 2.590 92 L HA 0.389 4.729 4.340 -0.000 0.000 0.227 92 L C 0.577 177.428 176.870 -0.032 0.000 1.099 92 L CA 0.688 55.473 54.840 -0.092 0.000 0.872 92 L CB 1.046 43.050 42.059 -0.092 0.000 1.088 92 L HN 0.709 nan 8.230 nan 0.000 0.479 93 G N -1.283 107.520 108.800 0.005 0.000 2.649 93 G HA2 0.548 4.508 3.960 -0.000 0.000 0.290 93 G HA3 0.548 4.508 3.960 -0.000 0.000 0.290 93 G C -1.741 173.188 174.900 0.048 0.000 1.426 93 G CA -0.373 44.735 45.100 0.014 0.000 0.794 93 G HN -0.227 nan 8.290 nan 0.000 0.483 94 I N 1.162 121.754 120.570 0.037 0.000 2.418 94 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 94 I C -2.146 173.989 176.117 0.030 0.000 1.008 94 I CA -2.585 58.754 61.300 0.066 0.000 1.104 94 I CB 0.897 38.908 38.000 0.019 0.000 1.264 94 I HN 0.193 nan 8.210 nan 0.000 0.438 95 P HA 0.006 nan 4.420 nan 0.000 0.264 95 P C -0.379 176.869 177.300 -0.088 0.000 1.179 95 P CA 0.437 63.454 63.100 -0.139 0.000 0.763 95 P CB 0.369 31.813 31.700 -0.427 0.000 0.806 96 H N 3.841 122.739 119.070 -0.286 0.000 2.459 96 H HA 0.205 4.761 4.556 -0.000 0.000 0.332 96 H C -1.771 173.223 175.328 -0.557 0.000 1.094 96 H CA -2.237 53.569 56.048 -0.404 0.000 1.224 96 H CB 1.495 30.982 29.762 -0.459 0.000 1.449 96 H HN 0.210 nan 8.280 nan 0.000 0.484 97 P HA -0.216 nan 4.420 nan 0.000 0.217 97 P C 1.136 178.128 177.300 -0.514 0.000 1.162 97 P CA 2.586 65.224 63.100 -0.770 0.000 0.901 97 P CB -0.029 30.780 31.700 -1.485 0.000 0.793 98 A N -0.798 121.676 122.820 -0.575 0.000 2.148 98 A HA -0.123 4.197 4.320 -0.000 0.000 0.222 98 A C 2.197 179.871 177.584 0.149 0.000 1.161 98 A CA 1.972 53.956 52.037 -0.089 0.000 0.662 98 A CB -1.620 17.390 19.000 0.017 0.000 0.799 98 A HN 0.357 nan 8.150 nan 0.000 0.466 99 G N -1.368 107.350 108.800 -0.137 0.000 3.088 99 G HA2 0.399 4.359 3.960 -0.000 0.000 0.217 99 G HA3 0.399 4.359 3.960 -0.000 0.000 0.217 99 G C 0.378 175.289 174.900 0.019 0.000 1.159 99 G CA -0.362 44.622 45.100 -0.194 0.000 0.760 99 G HN 0.378 nan 8.290 nan 0.000 0.550 100 L N 0.884 122.141 121.223 0.055 0.000 2.349 100 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 100 L C 0.264 177.187 176.870 0.088 0.000 1.115 100 L CA -0.756 54.078 54.840 -0.011 0.000 0.820 100 L CB 1.283 43.237 42.059 -0.175 0.000 1.135 100 L HN -0.085 nan 8.230 nan 0.000 0.445 101 K N 2.429 122.843 120.400 0.024 0.000 2.258 101 K HA 0.103 4.423 4.320 -0.000 0.000 0.264 101 K C 0.062 176.581 176.600 -0.135 0.000 1.007 101 K CA -0.311 55.996 56.287 0.033 0.000 0.941 101 K CB 0.444 32.952 32.500 0.014 0.000 0.966 101 K HN 0.259 nan 8.250 nan 0.000 0.480 102 K N 2.806 123.183 120.400 -0.037 0.000 2.379 102 K HA 0.033 4.353 4.320 -0.000 0.000 0.284 102 K C -0.877 175.658 176.600 -0.107 0.000 1.044 102 K CA 0.357 56.596 56.287 -0.079 0.000 0.974 102 K CB 0.105 32.677 32.500 0.120 0.000 0.962 102 K HN 0.615 nan 8.250 nan 0.000 0.474 103 N N 3.544 122.144 118.700 -0.167 0.000 2.272 103 N HA 0.097 4.837 4.740 -0.000 0.000 0.305 103 N C 0.440 175.901 175.510 -0.081 0.000 1.103 103 N CA -0.545 52.439 53.050 -0.110 0.000 0.791 103 N CB 2.037 40.451 38.487 -0.123 0.000 1.356 103 N HN 0.530 nan 8.380 nan 0.000 0.486 104 K N 0.486 120.839 120.400 -0.079 0.000 2.021 104 K HA 0.129 4.449 4.320 -0.000 0.000 0.205 104 K C -0.169 176.348 176.600 -0.139 0.000 1.047 104 K CA 0.925 57.164 56.287 -0.080 0.000 0.943 104 K CB 0.221 32.682 32.500 -0.066 0.000 0.725 104 K HN 0.328 nan 8.250 nan 0.000 0.439 105 S N 0.447 115.996 115.700 -0.251 0.000 2.473 105 S HA 0.453 4.923 4.470 -0.000 0.000 0.307 105 S C -1.548 172.770 174.600 -0.471 0.000 1.094 105 S CA -0.845 57.062 58.200 -0.489 0.000 1.070 105 S CB 2.206 64.845 63.200 -0.935 0.000 1.019 105 S HN 0.129 nan 8.310 nan 0.000 0.480 106 V N 3.937 123.731 119.914 -0.199 0.000 2.655 106 V HA 0.798 4.918 4.120 -0.000 0.000 0.301 106 V C -0.749 175.492 176.094 0.245 0.000 1.082 106 V CA -0.188 62.171 62.300 0.098 0.000 0.899 106 V CB 1.782 33.686 31.823 0.134 0.000 1.014 106 V HN 1.014 nan 8.190 nan 0.000 0.429 107 T N 3.299 118.077 114.554 0.373 0.000 2.876 107 T HA 0.669 5.019 4.350 -0.000 0.000 0.289 107 T C -0.918 173.889 174.700 0.179 0.000 1.014 107 T CA -0.562 61.704 62.100 0.277 0.000 0.986 107 T CB 1.637 70.608 68.868 0.171 0.000 1.021 107 T HN 1.257 nan 8.240 nan 0.000 0.458 108 V N 5.664 125.672 119.914 0.157 0.000 2.311 108 V HA 0.534 4.654 4.120 -0.000 0.000 0.275 108 V C -0.751 175.216 176.094 -0.212 0.000 1.022 108 V CA -0.918 61.279 62.300 -0.171 0.000 0.830 108 V CB -0.061 31.555 31.823 -0.346 0.000 1.012 108 V HN 0.886 nan 8.190 nan 0.000 0.452 109 L N 7.406 128.461 121.223 -0.280 0.000 2.275 109 L HA 0.581 4.921 4.340 -0.000 0.000 0.288 109 L C -0.045 176.707 176.870 -0.197 0.000 1.046 109 L CA -0.459 54.230 54.840 -0.251 0.000 0.805 109 L CB 1.420 43.311 42.059 -0.279 0.000 1.193 109 L HN 0.691 nan 8.230 nan 0.000 0.426 110 D N 3.684 124.011 120.400 -0.122 0.000 2.344 110 D HA 0.247 4.887 4.640 -0.000 0.000 0.239 110 D C -0.419 175.851 176.300 -0.050 0.000 1.064 110 D CA -0.485 53.457 54.000 -0.097 0.000 0.829 110 D CB 2.247 42.999 40.800 -0.081 0.000 1.129 110 D HN 0.101 nan 8.370 nan 0.000 0.506 111 V N 2.358 122.252 119.914 -0.032 0.000 2.655 111 V HA 0.371 4.491 4.120 -0.000 0.000 0.300 111 V C 1.289 177.374 176.094 -0.015 0.000 1.044 111 V CA 0.080 62.387 62.300 0.013 0.000 1.095 111 V CB 1.151 33.033 31.823 0.098 0.000 0.952 111 V HN 0.722 nan 8.190 nan 0.000 0.485 112 G N 2.212 111.019 108.800 0.013 0.000 2.343 112 G HA2 0.486 4.446 3.960 -0.000 0.000 0.319 112 G HA3 0.486 4.446 3.960 -0.000 0.000 0.319 112 G C -0.181 174.733 174.900 0.022 0.000 1.126 112 G CA -0.299 44.802 45.100 0.003 0.000 0.889 112 G HN 0.870 nan 8.290 nan 0.000 0.457 113 D N 0.675 121.063 120.400 -0.020 0.000 2.699 113 D HA -0.245 4.395 4.640 -0.000 0.000 0.239 113 D C 1.629 177.937 176.300 0.014 0.000 1.136 113 D CA 0.853 54.863 54.000 0.017 0.000 0.668 113 D CB -0.966 39.946 40.800 0.187 0.000 1.060 113 D HN 0.667 nan 8.370 nan 0.000 0.429 114 A N 0.077 122.826 122.820 -0.118 0.000 1.849 114 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 114 A C 1.877 179.551 177.584 0.149 0.000 1.225 114 A CA 1.983 53.987 52.037 -0.054 0.000 0.653 114 A CB -1.212 17.389 19.000 -0.666 0.000 0.844 114 A HN 0.580 nan 8.150 nan 0.000 0.453 115 Y N -1.543 118.561 120.300 -0.327 0.000 2.283 115 Y HA -0.258 4.292 4.550 -0.000 0.000 0.285 115 Y C 2.160 178.095 175.900 0.059 0.000 1.176 115 Y CA 0.822 58.817 58.100 -0.175 0.000 1.229 115 Y CB -0.448 37.784 38.460 -0.379 0.000 0.975 115 Y HN 0.373 nan 8.280 nan 0.000 0.537 116 F N -1.562 118.522 119.950 0.223 0.000 2.743 116 F HA -0.052 4.475 4.527 -0.000 0.000 0.297 116 F C 1.710 177.612 175.800 0.171 0.000 1.131 116 F CA -0.087 58.024 58.000 0.185 0.000 1.426 116 F CB 0.158 39.240 39.000 0.136 0.000 1.116 116 F HN -0.168 nan 8.300 nan 0.000 0.583 117 S N 0.067 115.980 115.700 0.355 0.000 2.614 117 S HA 0.202 4.672 4.470 -0.000 0.000 0.230 117 S C 0.060 174.807 174.600 0.245 0.000 0.952 117 S CA 0.003 58.363 58.200 0.267 0.000 0.949 117 S CB 0.147 63.489 63.200 0.236 0.000 0.786 117 S HN -0.116 nan 8.310 nan 0.000 0.478 118 V N 4.176 124.247 119.914 0.262 0.000 2.531 118 V HA 0.402 4.522 4.120 -0.000 0.000 0.301 118 V C -2.458 173.752 176.094 0.193 0.000 1.034 118 V CA -2.309 60.113 62.300 0.204 0.000 0.865 118 V CB 2.162 34.100 31.823 0.191 0.000 0.995 118 V HN 0.059 nan 8.190 nan 0.000 0.424 119 P HA 0.160 nan 4.420 nan 0.000 0.269 119 P C -0.721 176.672 177.300 0.154 0.000 1.209 119 P CA -0.189 63.004 63.100 0.156 0.000 0.776 119 P CB 1.499 33.278 31.700 0.132 0.000 0.876 120 L N 2.457 123.781 121.223 0.168 0.000 2.387 120 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 120 L C 0.024 176.993 176.870 0.165 0.000 1.059 120 L CA -0.521 54.420 54.840 0.169 0.000 0.801 120 L CB 0.445 42.609 42.059 0.175 0.000 1.223 120 L HN 0.265 nan 8.230 nan 0.000 0.456 121 D N 1.196 121.703 120.400 0.178 0.000 2.401 121 D HA 0.013 4.653 4.640 -0.000 0.000 0.254 121 D C 0.963 177.387 176.300 0.207 0.000 1.192 121 D CA 0.565 54.673 54.000 0.179 0.000 0.885 121 D CB 0.731 41.640 40.800 0.182 0.000 1.147 121 D HN 0.644 nan 8.370 nan 0.000 0.478 122 E N 2.234 122.528 120.200 0.157 0.000 2.114 122 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 122 E C 0.660 177.348 176.600 0.146 0.000 1.008 122 E CA 1.459 57.940 56.400 0.135 0.000 0.810 122 E CB 0.096 29.856 29.700 0.100 0.000 0.739 122 E HN 0.620 nan 8.360 nan 0.000 0.456 123 D N -0.951 119.555 120.400 0.177 0.000 2.378 123 D HA -0.065 4.575 4.640 -0.000 0.000 0.227 123 D C 0.981 177.468 176.300 0.313 0.000 1.012 123 D CA 0.438 54.553 54.000 0.193 0.000 0.905 123 D CB -0.089 40.826 40.800 0.192 0.000 0.895 123 D HN 0.163 nan 8.370 nan 0.000 0.532 124 F N 0.481 120.538 119.950 0.177 0.000 2.653 124 F HA 0.194 4.721 4.527 -0.000 0.000 0.288 124 F C 1.900 177.826 175.800 0.210 0.000 1.121 124 F CA -0.152 58.020 58.000 0.286 0.000 1.384 124 F CB 0.405 39.480 39.000 0.125 0.000 1.115 124 F HN -0.281 nan 8.300 nan 0.000 0.599 125 R N 1.234 121.808 120.500 0.124 0.000 2.119 125 R HA -0.260 4.080 4.340 -0.000 0.000 0.246 125 R C 2.182 178.444 176.300 -0.064 0.000 1.146 125 R CA 2.105 58.241 56.100 0.060 0.000 0.962 125 R CB -0.751 29.613 30.300 0.107 0.000 0.863 125 R HN 0.346 nan 8.270 nan 0.000 0.442 126 K N 0.236 120.519 120.400 -0.196 0.000 2.293 126 K HA -0.212 4.108 4.320 -0.000 0.000 0.204 126 K C 1.008 177.386 176.600 -0.370 0.000 1.045 126 K CA 1.752 57.866 56.287 -0.288 0.000 0.933 126 K CB -0.209 32.049 32.500 -0.404 0.000 0.736 126 K HN 0.306 nan 8.250 nan 0.000 0.463 127 Y N 1.496 121.590 120.300 -0.342 0.000 2.503 127 Y HA 0.015 4.565 4.550 -0.000 0.000 0.278 127 Y C 2.006 177.787 175.900 -0.197 0.000 1.111 127 Y CA 0.951 58.761 58.100 -0.483 0.000 1.270 127 Y CB 0.179 38.058 38.460 -0.968 0.000 1.063 127 Y HN 0.242 nan 8.280 nan 0.000 0.548 128 T N -1.375 113.199 114.554 0.034 0.000 3.366 128 T HA 0.524 4.874 4.350 -0.000 0.000 0.249 128 T C 0.528 175.497 174.700 0.447 0.000 1.028 128 T CA -0.207 62.069 62.100 0.293 0.000 0.938 128 T CB -0.866 68.200 68.868 0.331 0.000 1.046 128 T HN 0.185 nan 8.240 nan 0.000 0.587 129 A N 1.731 124.728 122.820 0.295 0.000 2.354 129 A HA 0.684 5.004 4.320 -0.000 0.000 0.269 129 A C -0.192 177.591 177.584 0.332 0.000 1.109 129 A CA -0.813 51.377 52.037 0.254 0.000 0.800 129 A CB 0.011 19.076 19.000 0.108 0.000 1.045 129 A HN 0.755 nan 8.150 nan 0.000 0.489 130 F N -0.484 119.500 119.950 0.057 0.000 2.685 130 F HA 0.853 5.380 4.527 -0.000 0.000 0.315 130 F C -0.229 175.580 175.800 0.016 0.000 1.126 130 F CA -0.597 57.409 58.000 0.010 0.000 0.950 130 F CB 1.342 40.328 39.000 -0.023 0.000 1.360 130 F HN 0.621 nan 8.300 nan 0.000 0.469 131 T N -0.724 113.845 114.554 0.024 0.000 2.912 131 T HA 0.732 5.082 4.350 -0.000 0.000 0.299 131 T C -1.001 173.713 174.700 0.023 0.000 1.052 131 T CA -0.647 61.405 62.100 -0.080 0.000 0.996 131 T CB 1.566 70.386 68.868 -0.079 0.000 1.070 131 T HN 0.769 nan 8.240 nan 0.000 0.465 132 I N 3.207 123.778 120.570 0.001 0.000 2.291 132 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 132 I C -2.343 173.762 176.117 -0.021 0.000 1.050 132 I CA -2.392 58.926 61.300 0.031 0.000 1.245 132 I CB 0.931 38.970 38.000 0.065 0.000 1.405 132 I HN 0.372 nan 8.210 nan 0.000 0.478 133 P HA 0.027 nan 4.420 nan 0.000 0.270 133 P C -0.365 176.904 177.300 -0.053 0.000 1.223 133 P CA -0.206 62.865 63.100 -0.047 0.000 0.785 133 P CB 0.567 32.236 31.700 -0.051 0.000 0.923 134 S N 1.297 116.961 115.700 -0.061 0.000 2.541 134 S HA 0.414 4.884 4.470 -0.000 0.000 0.283 134 S C 0.256 174.819 174.600 -0.061 0.000 1.196 134 S CA -0.865 57.300 58.200 -0.058 0.000 1.062 134 S CB -0.030 63.135 63.200 -0.058 0.000 1.009 134 S HN 0.260 nan 8.310 nan 0.000 0.502 135 I N 2.757 123.294 120.570 -0.055 0.000 3.045 135 I HA -0.149 4.021 4.170 -0.000 0.000 0.306 135 I C 0.618 176.698 176.117 -0.062 0.000 1.232 135 I CA 0.686 61.953 61.300 -0.054 0.000 1.415 135 I CB -1.195 36.780 38.000 -0.043 0.000 1.364 135 I HN 0.852 nan 8.210 nan 0.000 0.538 136 N N 5.249 123.903 118.700 -0.076 0.000 2.696 136 N HA -0.205 4.535 4.740 -0.000 0.000 0.256 136 N C -0.477 174.980 175.510 -0.088 0.000 1.031 136 N CA -0.118 52.878 53.050 -0.089 0.000 0.730 136 N CB -1.026 37.419 38.487 -0.070 0.000 0.894 136 N HN 0.715 nan 8.380 nan 0.000 0.544 137 N N 0.432 119.072 118.700 -0.099 0.000 2.837 137 N HA -0.216 4.524 4.740 -0.000 0.000 0.293 137 N C 0.496 175.963 175.510 -0.072 0.000 1.035 137 N CA 1.389 54.386 53.050 -0.089 0.000 0.831 137 N CB 0.074 38.498 38.487 -0.105 0.000 0.957 137 N HN 0.693 nan 8.380 nan 0.000 0.594 138 E N -0.453 119.709 120.200 -0.063 0.000 2.329 138 E HA 0.048 4.398 4.350 -0.000 0.000 0.189 138 E C 0.199 176.767 176.600 -0.054 0.000 0.997 138 E CA 0.186 56.554 56.400 -0.054 0.000 1.062 138 E CB -0.061 29.610 29.700 -0.048 0.000 1.260 138 E HN 0.286 nan 8.360 nan 0.000 0.490 139 T N 3.731 118.253 114.554 -0.054 0.000 2.900 139 T HA 0.000 4.350 4.350 -0.000 0.000 0.307 139 T C -1.654 173.008 174.700 -0.064 0.000 1.065 139 T CA -0.952 61.114 62.100 -0.057 0.000 1.105 139 T CB 0.651 69.486 68.868 -0.056 0.000 0.979 139 T HN 0.098 nan 8.240 nan 0.000 0.544 140 P HA 0.014 nan 4.420 nan 0.000 0.218 140 P C 0.828 178.077 177.300 -0.086 0.000 1.149 140 P CA 1.233 64.287 63.100 -0.076 0.000 0.817 140 P CB -0.249 31.403 31.700 -0.081 0.000 0.785 141 G N 0.090 108.836 108.800 -0.090 0.000 2.663 141 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 141 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 141 G C -0.902 173.914 174.900 -0.140 0.000 1.288 141 G CA -0.682 44.359 45.100 -0.098 0.000 0.836 141 G HN 0.097 nan 8.290 nan 0.000 0.584 142 I N 0.680 121.157 120.570 -0.155 0.000 2.342 142 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 142 I C 1.004 176.902 176.117 -0.364 0.000 1.010 142 I CA -0.283 60.853 61.300 -0.274 0.000 1.308 142 I CB 1.113 38.974 38.000 -0.232 0.000 1.400 142 I HN 0.476 nan 8.210 nan 0.000 0.488 143 R N 5.572 125.789 120.500 -0.472 0.000 2.393 143 R HA 0.608 4.948 4.340 -0.000 0.000 0.310 143 R C -1.391 174.517 176.300 -0.654 0.000 0.968 143 R CA -0.570 55.253 56.100 -0.462 0.000 0.867 143 R CB 1.733 31.852 30.300 -0.302 0.000 1.124 143 R HN 0.412 nan 8.270 nan 0.000 0.450 144 Y N 0.477 120.372 120.300 -0.675 0.000 2.605 144 Y HA 0.281 4.831 4.550 -0.000 0.000 0.343 144 Y C 0.017 175.642 175.900 -0.458 0.000 1.036 144 Y CA -0.779 56.938 58.100 -0.638 0.000 1.065 144 Y CB 2.281 40.224 38.460 -0.861 0.000 1.288 144 Y HN 0.508 nan 8.280 nan 0.000 0.481 145 Q N -0.152 119.670 119.800 0.036 0.000 2.553 145 Q HA 0.544 4.884 4.340 -0.000 0.000 0.293 145 Q C -2.182 173.897 176.000 0.132 0.000 1.038 145 Q CA -1.048 54.842 55.803 0.145 0.000 0.777 145 Q CB 2.142 30.929 28.738 0.081 0.000 1.487 145 Q HN 0.636 nan 8.270 nan 0.000 0.426 146 Y N 1.014 121.444 120.300 0.217 0.000 2.320 146 Y HA 0.338 4.888 4.550 -0.000 0.000 0.324 146 Y C 0.581 176.559 175.900 0.129 0.000 1.190 146 Y CA -0.111 58.097 58.100 0.181 0.000 1.215 146 Y CB 1.479 40.049 38.460 0.184 0.000 1.221 146 Y HN 0.732 nan 8.280 nan 0.000 0.486 147 N N 0.721 119.608 118.700 0.313 0.000 2.210 147 N HA 0.095 4.835 4.740 -0.000 0.000 0.203 147 N C -0.372 175.285 175.510 0.245 0.000 1.175 147 N CA 0.445 53.627 53.050 0.220 0.000 0.894 147 N CB 0.991 39.566 38.487 0.146 0.000 1.041 147 N HN 0.391 nan 8.380 nan 0.000 0.506 148 V N -2.216 117.903 119.914 0.341 0.000 3.139 148 V HA 0.562 4.682 4.120 -0.000 0.000 0.310 148 V C -0.016 176.249 176.094 0.285 0.000 1.260 148 V CA -1.085 61.408 62.300 0.321 0.000 1.064 148 V CB 1.152 33.204 31.823 0.381 0.000 1.160 148 V HN -0.177 nan 8.190 nan 0.000 0.470 149 L N 2.248 123.629 121.223 0.264 0.000 2.369 149 L HA 0.399 4.739 4.340 -0.000 0.000 0.279 149 L C -2.279 174.665 176.870 0.123 0.000 1.108 149 L CA -1.267 53.669 54.840 0.161 0.000 0.852 149 L CB 0.547 42.648 42.059 0.069 0.000 1.169 149 L HN 0.474 nan 8.230 nan 0.000 0.452 150 P HA 0.054 nan 4.420 nan 0.000 0.269 150 P C -0.191 177.138 177.300 0.048 0.000 1.209 150 P CA -0.286 62.616 63.100 -0.329 0.000 0.776 150 P CB 0.761 32.056 31.700 -0.674 0.000 0.876 151 Q N 2.105 121.998 119.800 0.155 0.000 1.921 151 Q HA -0.091 4.249 4.340 -0.000 0.000 0.208 151 Q C 2.095 178.194 176.000 0.166 0.000 0.994 151 Q CA 2.222 58.099 55.803 0.122 0.000 0.857 151 Q CB -1.418 27.364 28.738 0.074 0.000 0.925 151 Q HN 0.636 nan 8.270 nan 0.000 0.421 152 G N -0.749 108.187 108.800 0.227 0.000 3.234 152 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.221 152 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.221 152 G C -0.849 174.117 174.900 0.111 0.000 1.229 152 G CA -0.523 44.704 45.100 0.212 0.000 0.909 152 G HN 0.175 nan 8.290 nan 0.000 0.510 153 W N 0.691 121.784 121.300 -0.345 0.000 2.316 153 W HA 0.427 5.087 4.660 -0.000 0.000 0.321 153 W C 1.330 177.677 176.519 -0.287 0.000 1.203 153 W CA -1.724 55.321 57.345 -0.501 0.000 1.214 153 W CB 1.115 30.131 29.460 -0.739 0.000 1.169 153 W HN 0.022 nan 8.180 nan 0.000 0.561 154 K N 2.401 122.311 120.400 -0.817 0.000 2.074 154 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 154 K C 1.804 177.684 176.600 -1.200 0.000 1.048 154 K CA 2.115 57.931 56.287 -0.786 0.000 0.926 154 K CB -0.551 31.678 32.500 -0.453 0.000 0.713 154 K HN 0.703 nan 8.250 nan 0.000 0.444 155 G N -1.171 106.294 108.800 -2.225 0.000 3.042 155 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.212 155 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.212 155 G C 0.993 175.014 174.900 -1.464 0.000 1.166 155 G CA 0.026 43.742 45.100 -2.307 0.000 0.767 155 G HN 0.195 nan 8.290 nan 0.000 0.546 156 S N 1.772 116.848 115.700 -1.040 0.000 2.348 156 S HA -0.066 4.404 4.470 -0.000 0.000 0.221 156 S C -0.023 174.035 174.600 -0.903 0.000 1.033 156 S CA 1.202 58.913 58.200 -0.815 0.000 1.010 156 S CB -0.682 62.053 63.200 -0.774 0.000 0.891 156 S HN 0.262 nan 8.310 nan 0.000 0.442 157 P HA -0.029 nan 4.420 nan 0.000 0.215 157 P C 1.527 178.642 177.300 -0.309 0.000 1.153 157 P CA 1.470 64.334 63.100 -0.392 0.000 0.853 157 P CB -0.117 31.437 31.700 -0.243 0.000 0.788 158 A N -0.572 121.974 122.820 -0.456 0.000 1.841 158 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 158 A C 2.122 179.537 177.584 -0.280 0.000 1.199 158 A CA 1.836 53.655 52.037 -0.363 0.000 0.621 158 A CB -1.749 16.916 19.000 -0.559 0.000 0.835 158 A HN 0.064 nan 8.150 nan 0.000 0.445 159 I N -1.521 118.819 120.570 -0.384 0.000 2.335 159 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 159 I C 2.194 178.213 176.117 -0.164 0.000 1.129 159 I CA 1.401 62.571 61.300 -0.217 0.000 1.402 159 I CB -0.416 37.475 38.000 -0.182 0.000 1.069 159 I HN 0.497 nan 8.210 nan 0.000 0.424 160 F N 1.023 120.787 119.950 -0.310 0.000 2.060 160 F HA -0.235 4.292 4.527 -0.000 0.000 0.295 160 F C 2.579 178.292 175.800 -0.145 0.000 1.120 160 F CA 1.606 59.471 58.000 -0.224 0.000 1.205 160 F CB -0.388 38.443 39.000 -0.281 0.000 0.986 160 F HN -0.019 nan 8.300 nan 0.000 0.470 161 Q N 0.120 119.880 119.800 -0.068 0.000 2.135 161 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 161 Q C 2.512 178.385 176.000 -0.212 0.000 0.981 161 Q CA 1.538 57.261 55.803 -0.133 0.000 0.856 161 Q CB -1.106 27.638 28.738 0.010 0.000 0.902 161 Q HN 0.499 nan 8.270 nan 0.000 0.425 162 S N 0.383 115.984 115.700 -0.166 0.000 2.353 162 S HA -0.150 4.319 4.470 -0.000 0.000 0.222 162 S C 2.115 176.600 174.600 -0.192 0.000 1.035 162 S CA 1.681 59.803 58.200 -0.130 0.000 1.025 162 S CB -0.032 63.118 63.200 -0.083 0.000 0.902 162 S HN 0.400 nan 8.310 nan 0.000 0.440 163 S N 1.404 116.949 115.700 -0.258 0.000 2.356 163 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 163 S C 1.861 176.240 174.600 -0.368 0.000 1.032 163 S CA 1.710 59.741 58.200 -0.282 0.000 1.005 163 S CB -0.543 62.492 63.200 -0.274 0.000 0.867 163 S HN 0.604 nan 8.310 nan 0.000 0.449 164 M N 2.132 121.415 119.600 -0.528 0.000 2.267 164 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 164 M C 1.792 177.911 176.300 -0.302 0.000 1.063 164 M CA 1.490 56.499 55.300 -0.485 0.000 1.090 164 M CB -1.236 30.985 32.600 -0.630 0.000 1.392 164 M HN 0.185 nan 8.290 nan 0.000 0.422 165 T N 0.675 115.083 114.554 -0.244 0.000 2.668 165 T HA -0.116 4.234 4.350 -0.000 0.000 0.262 165 T C 1.727 176.327 174.700 -0.166 0.000 1.045 165 T CA 1.742 63.747 62.100 -0.159 0.000 1.152 165 T CB -0.155 68.648 68.868 -0.108 0.000 0.864 165 T HN 0.448 nan 8.240 nan 0.000 0.419 166 K N 0.766 121.051 120.400 -0.192 0.000 2.074 166 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 166 K C 2.237 178.649 176.600 -0.313 0.000 1.048 166 K CA 1.330 57.492 56.287 -0.209 0.000 0.926 166 K CB -0.514 31.860 32.500 -0.210 0.000 0.713 166 K HN 0.357 nan 8.250 nan 0.000 0.444 167 I N 1.124 121.426 120.570 -0.446 0.000 2.264 167 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 167 I C 2.208 178.189 176.117 -0.226 0.000 1.111 167 I CA 1.280 62.195 61.300 -0.642 0.000 1.382 167 I CB -0.235 37.389 38.000 -0.625 0.000 1.060 167 I HN 0.120 nan 8.210 nan 0.000 0.418 168 L N 0.059 121.193 121.223 -0.147 0.000 2.179 168 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 168 L C 2.485 179.355 176.870 -0.001 0.000 1.096 168 L CA 0.745 55.561 54.840 -0.041 0.000 0.779 168 L CB -0.506 41.510 42.059 -0.071 0.000 0.922 168 L HN 0.242 nan 8.230 nan 0.000 0.443 169 E N 0.710 120.886 120.200 -0.038 0.000 2.113 169 E HA -0.276 4.074 4.350 -0.000 0.000 0.210 169 E C -0.564 176.036 176.600 -0.000 0.000 1.040 169 E CA 2.173 58.562 56.400 -0.018 0.000 0.847 169 E CB -0.659 29.018 29.700 -0.039 0.000 0.755 169 E HN 0.316 nan 8.360 nan 0.000 0.459 170 P HA -0.147 nan 4.420 nan 0.000 0.213 170 P C 1.203 178.460 177.300 -0.072 0.000 1.170 170 P CA 1.164 64.262 63.100 -0.002 0.000 0.893 170 P CB -0.277 31.476 31.700 0.088 0.000 0.784 171 F N 1.110 120.846 119.950 -0.356 0.000 2.154 171 F HA -0.220 4.307 4.527 -0.000 0.000 0.301 171 F C 1.891 177.594 175.800 -0.161 0.000 1.087 171 F CA 1.721 59.508 58.000 -0.354 0.000 1.274 171 F CB -0.491 38.219 39.000 -0.484 0.000 1.009 171 F HN -0.226 nan 8.300 nan 0.000 0.485 172 K N 0.089 120.585 120.400 0.160 0.000 2.002 172 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 172 K C 2.285 178.868 176.600 -0.029 0.000 1.048 172 K CA 1.452 57.800 56.287 0.102 0.000 0.930 172 K CB -0.404 32.146 32.500 0.085 0.000 0.714 172 K HN 0.076 nan 8.250 nan 0.000 0.438 173 K N 1.526 121.903 120.400 -0.039 0.000 2.074 173 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 173 K C 1.938 178.481 176.600 -0.095 0.000 1.048 173 K CA 1.749 58.005 56.287 -0.051 0.000 0.926 173 K CB 0.015 32.495 32.500 -0.034 0.000 0.713 173 K HN 0.053 nan 8.250 nan 0.000 0.444 174 Q N 0.354 120.055 119.800 -0.164 0.000 2.378 174 Q HA 0.072 4.412 4.340 -0.000 0.000 0.205 174 Q C -0.182 175.661 176.000 -0.261 0.000 0.954 174 Q CA 0.672 56.352 55.803 -0.207 0.000 0.901 174 Q CB 0.358 28.942 28.738 -0.257 0.000 0.981 174 Q HN 0.250 nan 8.270 nan 0.000 0.483 175 N N 0.168 118.685 118.700 -0.304 0.000 2.791 175 N HA 0.144 4.884 4.740 -0.000 0.000 0.265 175 N C -2.369 173.082 175.510 -0.100 0.000 1.580 175 N CA -0.901 51.995 53.050 -0.255 0.000 0.809 175 N CB 1.390 39.601 38.487 -0.459 0.000 1.178 175 N HN 0.118 nan 8.380 nan 0.000 0.499 176 P HA -0.081 nan 4.420 nan 0.000 0.226 176 P C 0.430 177.730 177.300 -0.000 0.000 1.153 176 P CA 1.017 64.104 63.100 -0.022 0.000 0.777 176 P CB 0.430 32.116 31.700 -0.024 0.000 0.794 177 D N -0.795 119.603 120.400 -0.004 0.000 2.336 177 D HA 0.094 4.734 4.640 -0.000 0.000 0.228 177 D C -0.002 176.324 176.300 0.044 0.000 1.120 177 D CA -0.002 54.007 54.000 0.015 0.000 0.839 177 D CB -0.108 40.696 40.800 0.007 0.000 0.932 177 D HN -0.078 nan 8.370 nan 0.000 0.509 178 I N 1.975 122.582 120.570 0.062 0.000 2.447 178 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 178 I C -0.201 175.986 176.117 0.117 0.000 1.023 178 I CA -1.132 60.237 61.300 0.116 0.000 1.083 178 I CB 1.610 39.724 38.000 0.190 0.000 1.245 178 I HN -0.175 nan 8.210 nan 0.000 0.434 179 V N 5.588 125.566 119.914 0.107 0.000 2.481 179 V HA 0.659 4.779 4.120 -0.000 0.000 0.286 179 V C -0.150 176.013 176.094 0.116 0.000 1.042 179 V CA -0.481 61.875 62.300 0.095 0.000 0.928 179 V CB 1.668 33.528 31.823 0.062 0.000 0.986 179 V HN 0.487 nan 8.190 nan 0.000 0.462 180 I N 5.279 125.918 120.570 0.114 0.000 2.478 180 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 180 I C -1.365 174.844 176.117 0.153 0.000 1.042 180 I CA -0.576 60.789 61.300 0.109 0.000 1.067 180 I CB 1.966 39.995 38.000 0.049 0.000 1.233 180 I HN 0.784 nan 8.210 nan 0.000 0.431 181 Y N 6.647 126.980 120.300 0.055 0.000 2.335 181 Y HA 0.465 5.015 4.550 -0.000 0.000 0.338 181 Y C -0.678 175.307 175.900 0.141 0.000 0.977 181 Y CA -0.820 57.312 58.100 0.053 0.000 1.114 181 Y CB 1.402 39.835 38.460 -0.046 0.000 1.182 181 Y HN 0.550 nan 8.280 nan 0.000 0.463 182 Q N 5.711 125.217 119.800 -0.491 0.000 2.340 182 Q HA 0.330 4.670 4.340 -0.000 0.000 0.259 182 Q C -1.927 173.768 176.000 -0.508 0.000 0.964 182 Q CA -0.897 54.688 55.803 -0.363 0.000 0.900 182 Q CB 1.955 30.604 28.738 -0.148 0.000 1.228 182 Q HN 0.728 nan 8.270 nan 0.000 0.449 183 Y N 5.694 125.772 120.300 -0.370 0.000 2.526 183 Y HA 0.366 4.916 4.550 -0.000 0.000 0.328 183 Y C -0.075 175.842 175.900 0.028 0.000 0.995 183 Y CA -0.778 57.245 58.100 -0.129 0.000 1.304 183 Y CB 0.367 38.916 38.460 0.149 0.000 1.096 183 Y HN 0.994 nan 8.280 nan 0.000 0.499 184 M N 1.205 120.638 119.600 -0.278 0.000 7.319 184 M HA -0.424 4.056 4.480 -0.000 0.000 0.235 184 M C 0.742 176.952 176.300 -0.149 0.000 0.480 184 M CA 1.888 57.021 55.300 -0.278 0.000 1.311 184 M CB -0.872 31.424 32.600 -0.506 0.000 0.421 184 M HN 0.486 nan 8.290 nan 0.000 0.637 185 D N 0.842 121.104 120.400 -0.231 0.000 2.149 185 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 185 D C 0.172 176.419 176.300 -0.089 0.000 0.990 185 D CA 1.529 55.413 54.000 -0.195 0.000 0.839 185 D CB -0.376 40.292 40.800 -0.219 0.000 0.948 185 D HN 0.368 nan 8.370 nan 0.000 0.460 186 D N -0.006 120.349 120.400 -0.075 0.000 2.344 186 D HA 0.343 4.983 4.640 -0.000 0.000 0.244 186 D C -0.121 176.101 176.300 -0.131 0.000 1.134 186 D CA -0.260 53.666 54.000 -0.124 0.000 0.930 186 D CB 1.358 42.085 40.800 -0.123 0.000 1.175 186 D HN -0.119 nan 8.370 nan 0.000 0.437 187 L N 1.463 122.511 121.223 -0.291 0.000 2.438 187 L HA 0.288 4.628 4.340 -0.000 0.000 0.270 187 L C -1.506 175.145 176.870 -0.365 0.000 0.972 187 L CA -0.642 54.072 54.840 -0.211 0.000 0.831 187 L CB 1.380 43.346 42.059 -0.156 0.000 1.273 187 L HN 0.253 nan 8.230 nan 0.000 0.405 188 Y N 3.607 123.877 120.300 -0.051 0.000 2.342 188 Y HA 0.620 5.170 4.550 -0.000 0.000 0.338 188 Y C -0.146 175.771 175.900 0.028 0.000 0.965 188 Y CA -0.823 57.268 58.100 -0.015 0.000 1.159 188 Y CB 1.668 40.105 38.460 -0.037 0.000 1.157 188 Y HN 0.177 nan 8.280 nan 0.000 0.486 189 V N 3.515 123.510 119.914 0.136 0.000 2.378 189 V HA 0.822 4.942 4.120 -0.000 0.000 0.288 189 V C 0.185 176.422 176.094 0.238 0.000 1.016 189 V CA -0.622 61.763 62.300 0.140 0.000 0.840 189 V CB 1.457 33.306 31.823 0.044 0.000 0.994 189 V HN 0.911 nan 8.190 nan 0.000 0.431 190 G N 3.006 111.929 108.800 0.205 0.000 2.574 190 G HA2 0.862 4.822 3.960 -0.000 0.000 0.299 190 G HA3 0.862 4.822 3.960 -0.000 0.000 0.299 190 G C -0.723 174.260 174.900 0.139 0.000 1.298 190 G CA -0.092 45.106 45.100 0.164 0.000 0.952 190 G HN 0.972 nan 8.290 nan 0.000 0.477 191 S N -0.970 114.759 115.700 0.048 0.000 2.703 191 S HA 0.469 4.939 4.470 -0.000 0.000 0.273 191 S C -0.819 173.761 174.600 -0.034 0.000 1.178 191 S CA -0.732 57.498 58.200 0.050 0.000 0.838 191 S CB 1.831 65.134 63.200 0.173 0.000 1.178 191 S HN 0.384 nan 8.310 nan 0.000 0.494 192 D N 0.364 120.761 120.400 -0.005 0.000 2.369 192 D HA 0.286 4.926 4.640 -0.000 0.000 0.211 192 D C 0.564 176.857 176.300 -0.012 0.000 1.077 192 D CA 0.081 54.068 54.000 -0.022 0.000 0.842 192 D CB 0.166 40.960 40.800 -0.010 0.000 0.947 192 D HN 0.361 nan 8.370 nan 0.000 0.509 193 L N 0.982 122.215 121.223 0.017 0.000 2.456 193 L HA 0.096 4.436 4.340 -0.000 0.000 0.246 193 L C 1.104 177.988 176.870 0.022 0.000 1.238 193 L CA -0.170 54.698 54.840 0.046 0.000 0.826 193 L CB 0.374 42.505 42.059 0.120 0.000 1.150 193 L HN -0.202 nan 8.230 nan 0.000 0.514 194 E N 0.093 120.324 120.200 0.052 0.000 2.283 194 E HA 0.183 4.532 4.350 -0.000 0.000 0.267 194 E C 1.083 177.739 176.600 0.094 0.000 1.045 194 E CA -0.380 56.047 56.400 0.044 0.000 0.884 194 E CB 1.543 31.267 29.700 0.039 0.000 1.106 194 E HN 0.458 nan 8.360 nan 0.000 0.408 195 I N 1.421 122.034 120.570 0.072 0.000 2.367 195 I HA -0.328 3.841 4.170 -0.000 0.000 0.256 195 I C 1.847 178.044 176.117 0.134 0.000 1.132 195 I CA 1.715 63.086 61.300 0.118 0.000 1.397 195 I CB -0.129 37.915 38.000 0.072 0.000 1.074 195 I HN 0.606 nan 8.210 nan 0.000 0.435 196 G N -0.581 108.276 108.800 0.095 0.000 2.456 196 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.213 196 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.213 196 G C 1.387 176.341 174.900 0.090 0.000 1.215 196 G CA 0.095 45.243 45.100 0.079 0.000 0.805 196 G HN 0.365 nan 8.290 nan 0.000 0.537 197 Q N -0.565 119.289 119.800 0.090 0.000 2.364 197 Q HA -0.115 4.225 4.340 -0.000 0.000 0.209 197 Q C 2.106 178.184 176.000 0.130 0.000 0.977 197 Q CA 1.156 57.013 55.803 0.089 0.000 0.885 197 Q CB -0.069 28.713 28.738 0.074 0.000 0.941 197 Q HN 0.693 nan 8.270 nan 0.000 0.464 198 H N 0.850 119.950 119.070 0.050 0.000 2.306 198 H HA 0.084 4.640 4.556 -0.000 0.000 0.307 198 H C 1.701 177.076 175.328 0.079 0.000 1.061 198 H CA 1.292 57.377 56.048 0.062 0.000 1.359 198 H CB 0.262 30.056 29.762 0.054 0.000 1.407 198 H HN -0.045 nan 8.280 nan 0.000 0.517 199 R N -0.576 119.956 120.500 0.053 0.000 2.241 199 R HA -0.060 4.280 4.340 -0.000 0.000 0.224 199 R C 1.837 178.152 176.300 0.025 0.000 1.101 199 R CA 1.459 57.570 56.100 0.018 0.000 0.995 199 R CB -0.022 30.333 30.300 0.092 0.000 0.870 199 R HN 0.344 nan 8.270 nan 0.000 0.463 200 T N 0.416 114.993 114.554 0.037 0.000 2.851 200 T HA -0.052 4.298 4.350 -0.000 0.000 0.262 200 T C 1.604 176.335 174.700 0.051 0.000 1.043 200 T CA 0.919 63.048 62.100 0.047 0.000 1.140 200 T CB 0.033 68.931 68.868 0.050 0.000 0.872 200 T HN 0.002 nan 8.240 nan 0.000 0.446 201 K N 1.078 121.500 120.400 0.036 0.000 2.097 201 K HA 0.079 4.399 4.320 -0.000 0.000 0.205 201 K C 2.013 178.669 176.600 0.092 0.000 1.050 201 K CA 0.656 56.992 56.287 0.081 0.000 0.938 201 K CB -0.559 31.985 32.500 0.074 0.000 0.718 201 K HN 0.172 nan 8.250 nan 0.000 0.442 202 I N 1.464 122.002 120.570 -0.053 0.000 2.069 202 I HA -0.276 3.894 4.170 -0.000 0.000 0.237 202 I C 1.959 178.081 176.117 0.008 0.000 1.053 202 I CA 1.514 62.762 61.300 -0.087 0.000 1.311 202 I CB -1.115 36.808 38.000 -0.129 0.000 1.030 202 I HN 0.259 nan 8.210 nan 0.000 0.398 203 E N 0.600 120.837 120.200 0.061 0.000 2.065 203 E HA -0.297 4.053 4.350 -0.000 0.000 0.201 203 E C 2.015 178.682 176.600 0.112 0.000 1.016 203 E CA 1.562 58.015 56.400 0.088 0.000 0.818 203 E CB -0.522 29.228 29.700 0.085 0.000 0.749 203 E HN 0.554 nan 8.360 nan 0.000 0.453 204 E N 0.191 120.482 120.200 0.152 0.000 2.147 204 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 204 E C 2.123 178.933 176.600 0.349 0.000 1.005 204 E CA 1.244 57.788 56.400 0.239 0.000 0.810 204 E CB -0.120 29.730 29.700 0.249 0.000 0.736 204 E HN 0.124 nan 8.360 nan 0.000 0.460 205 L N 0.726 122.084 121.223 0.224 0.000 2.095 205 L HA -0.038 4.302 4.340 -0.000 0.000 0.204 205 L C 2.273 179.109 176.870 -0.057 0.000 1.080 205 L CA 1.417 56.141 54.840 -0.194 0.000 0.759 205 L CB -0.240 41.398 42.059 -0.701 0.000 0.914 205 L HN -0.023 nan 8.230 nan 0.000 0.439 206 R N -0.808 119.681 120.500 -0.018 0.000 2.096 206 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 206 R C 2.257 178.596 176.300 0.065 0.000 1.139 206 R CA 1.611 57.719 56.100 0.014 0.000 0.952 206 R CB -0.517 29.812 30.300 0.047 0.000 0.854 206 R HN 0.465 nan 8.270 nan 0.000 0.436 207 Q N -0.125 119.737 119.800 0.102 0.000 2.020 207 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 207 Q C 2.061 178.152 176.000 0.150 0.000 0.982 207 Q CA 1.739 57.612 55.803 0.116 0.000 0.838 207 Q CB -0.606 28.209 28.738 0.130 0.000 0.899 207 Q HN 0.501 nan 8.270 nan 0.000 0.423 208 H N 0.553 119.709 119.070 0.142 0.000 2.390 208 H HA -0.078 4.478 4.556 -0.000 0.000 0.298 208 H C 2.005 177.487 175.328 0.257 0.000 1.106 208 H CA 1.600 57.781 56.048 0.221 0.000 1.297 208 H CB -0.208 29.718 29.762 0.273 0.000 1.375 208 H HN 0.114 nan 8.280 nan 0.000 0.509 209 L N -0.605 120.670 121.223 0.087 0.000 2.093 209 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 209 L C 2.564 179.487 176.870 0.090 0.000 1.085 209 L CA 0.845 55.720 54.840 0.057 0.000 0.755 209 L CB -0.335 41.738 42.059 0.024 0.000 0.904 209 L HN 0.307 nan 8.230 nan 0.000 0.435 210 L N -0.366 120.894 121.223 0.062 0.000 2.083 210 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 210 L C 2.639 179.508 176.870 -0.001 0.000 1.083 210 L CA 1.100 55.966 54.840 0.043 0.000 0.752 210 L CB -0.242 41.839 42.059 0.036 0.000 0.899 210 L HN 0.193 nan 8.230 nan 0.000 0.433 211 R N -1.447 119.024 120.500 -0.047 0.000 2.377 211 R HA -0.172 4.168 4.340 -0.000 0.000 0.207 211 R C 0.709 176.741 176.300 -0.446 0.000 1.075 211 R CA 0.970 56.937 56.100 -0.222 0.000 1.035 211 R CB -0.208 29.940 30.300 -0.253 0.000 0.857 211 R HN 0.460 nan 8.270 nan 0.000 0.475 212 W N -0.756 120.473 121.300 -0.119 0.000 2.702 212 W HA 0.275 4.935 4.660 -0.000 0.000 0.369 212 W C 0.851 177.346 176.519 -0.040 0.000 0.987 212 W CA 0.290 57.578 57.345 -0.095 0.000 1.702 212 W CB 1.014 30.386 29.460 -0.147 0.000 1.138 212 W HN 0.177 nan 8.180 nan 0.000 0.552 213 G N 1.007 109.886 108.800 0.131 0.000 2.131 213 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.223 213 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.223 213 G C -0.325 174.651 174.900 0.127 0.000 0.990 213 G CA -0.425 44.745 45.100 0.116 0.000 0.671 213 G HN 0.126 nan 8.290 nan 0.000 0.521 214 L N 2.077 123.372 121.223 0.121 0.000 2.301 214 L HA 0.489 4.829 4.340 -0.000 0.000 0.278 214 L C 0.819 177.736 176.870 0.078 0.000 1.022 214 L CA -0.390 54.514 54.840 0.106 0.000 0.854 214 L CB 1.660 43.776 42.059 0.095 0.000 1.226 214 L HN 0.238 nan 8.230 nan 0.000 0.429 215 T N 1.237 115.837 114.554 0.078 0.000 2.814 215 T HA 0.294 4.644 4.350 -0.000 0.000 0.297 215 T C -0.082 174.650 174.700 0.054 0.000 0.956 215 T CA 0.057 62.195 62.100 0.063 0.000 1.123 215 T CB 0.888 69.795 68.868 0.064 0.000 0.902 215 T HN 0.608 nan 8.240 nan 0.000 0.528 216 T N 4.740 119.324 114.554 0.050 0.000 2.906 216 T HA 0.660 5.010 4.350 -0.000 0.000 0.295 216 T C -2.551 172.196 174.700 0.078 0.000 1.061 216 T CA -1.597 60.529 62.100 0.044 0.000 1.000 216 T CB 1.163 70.041 68.868 0.016 0.000 1.103 216 T HN 0.520 nan 8.240 nan 0.000 0.486 217 P HA 0.171 nan 4.420 nan 0.000 0.272 217 P C 0.052 177.480 177.300 0.214 0.000 1.243 217 P CA 0.079 63.276 63.100 0.162 0.000 0.803 217 P CB 0.471 32.307 31.700 0.227 0.000 0.974 218 D N -0.543 119.896 120.400 0.065 0.000 2.760 218 D HA -0.044 4.596 4.640 -0.000 0.000 0.285 218 D C 0.924 176.965 176.300 -0.432 0.000 1.178 218 D CA 0.386 54.327 54.000 -0.099 0.000 1.031 218 D CB 0.331 41.109 40.800 -0.036 0.000 1.544 218 D HN 0.266 nan 8.370 nan 0.000 0.468 219 K N 0.215 120.463 120.400 -0.253 0.000 2.450 219 K HA 0.146 4.466 4.320 -0.000 0.000 0.206 219 K C 0.584 177.111 176.600 -0.121 0.000 1.148 219 K CA 0.025 56.174 56.287 -0.231 0.000 1.014 219 K CB 0.267 32.702 32.500 -0.109 0.000 0.966 219 K HN -0.138 nan 8.250 nan 0.000 0.566 220 K N 1.685 122.060 120.400 -0.042 0.000 2.684 220 K HA 0.155 4.475 4.320 -0.000 0.000 0.215 220 K C 0.571 177.253 176.600 0.136 0.000 1.073 220 K CA -0.108 56.205 56.287 0.044 0.000 1.197 220 K CB -0.557 31.970 32.500 0.046 0.000 0.955 220 K HN 0.400 nan 8.250 nan 0.000 0.473 221 H N 0.899 119.988 119.070 0.032 0.000 2.489 221 H HA -0.194 4.362 4.556 -0.000 0.000 0.295 221 H C 1.171 176.536 175.328 0.061 0.000 1.082 221 H CA 0.969 57.038 56.048 0.035 0.000 1.295 221 H CB 0.294 30.079 29.762 0.038 0.000 1.380 221 H HN 0.405 nan 8.280 nan 0.000 0.548 222 Q N 0.184 120.102 119.800 0.198 0.000 2.217 222 Q HA -0.389 3.951 4.340 -0.000 0.000 0.170 222 Q C 1.668 177.820 176.000 0.254 0.000 0.597 222 Q CA 1.767 57.682 55.803 0.188 0.000 1.426 222 Q CB -0.916 27.919 28.738 0.161 0.000 1.504 222 Q HN 0.681 nan 8.270 nan 0.000 0.860 223 K N 1.025 121.573 120.400 0.246 0.000 2.117 223 K HA -0.275 4.045 4.320 -0.000 0.000 0.215 223 K C 0.590 177.201 176.600 0.017 0.000 1.053 223 K CA 2.029 58.453 56.287 0.228 0.000 0.935 223 K CB -0.724 31.890 32.500 0.189 0.000 0.719 223 K HN 0.472 nan 8.250 nan 0.000 0.460 224 E N 2.801 123.014 120.200 0.021 0.000 1.374 224 E HA -0.128 4.222 4.350 -0.000 0.000 0.218 224 E C -1.981 174.472 176.600 -0.245 0.000 0.483 224 E CA -0.787 55.575 56.400 -0.062 0.000 0.655 224 E CB -0.343 29.367 29.700 0.016 0.000 0.981 224 E HN 0.291 nan 8.360 nan 0.000 0.289 225 P HA 0.079 nan 4.420 nan 0.000 0.271 225 P C -2.295 174.823 177.300 -0.303 0.000 1.216 225 P CA -0.885 61.809 63.100 -0.677 0.000 0.776 225 P CB 0.341 31.673 31.700 -0.613 0.000 0.881 226 P HA -0.093 nan 4.420 nan 0.000 0.277 226 P C -0.933 176.299 177.300 -0.113 0.000 1.237 226 P CA 1.044 63.944 63.100 -0.333 0.000 0.819 226 P CB 0.120 31.711 31.700 -0.182 0.000 0.841 227 F N -0.096 119.861 119.950 0.013 0.000 2.689 227 F HA 0.305 4.832 4.527 -0.000 0.000 0.332 227 F C -0.661 175.273 175.800 0.223 0.000 1.209 227 F CA -0.695 57.394 58.000 0.149 0.000 1.028 227 F CB 0.890 39.999 39.000 0.182 0.000 1.291 227 F HN -0.008 nan 8.300 nan 0.000 0.500 228 L N 3.432 124.909 121.223 0.423 0.000 2.262 228 L HA 0.314 4.654 4.340 -0.000 0.000 0.288 228 L C -1.189 175.894 176.870 0.354 0.000 1.035 228 L CA -0.429 54.609 54.840 0.330 0.000 0.820 228 L CB 1.159 43.354 42.059 0.227 0.000 1.204 228 L HN 0.684 nan 8.230 nan 0.000 0.424 229 W N 6.226 127.611 121.300 0.140 0.000 2.957 229 W HA 0.386 5.046 4.660 -0.000 0.000 0.336 229 W C 0.334 176.882 176.519 0.048 0.000 1.087 229 W CA -0.760 56.614 57.345 0.049 0.000 1.235 229 W CB 1.389 30.806 29.460 -0.072 0.000 1.399 229 W HN 0.390 nan 8.180 nan 0.000 0.480 230 M N 5.035 124.135 119.600 -0.833 0.000 2.480 230 M HA -0.249 4.231 4.480 -0.000 0.000 0.192 230 M C 1.113 176.997 176.300 -0.693 0.000 0.489 230 M CA 2.143 56.888 55.300 -0.924 0.000 0.472 230 M CB -2.076 29.575 32.600 -1.583 0.000 1.682 230 M HN 1.491 nan 8.290 nan 0.000 0.796 231 G N -1.819 106.717 108.800 -0.438 0.000 2.159 231 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.227 231 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.227 231 G C -0.380 174.481 174.900 -0.065 0.000 0.986 231 G CA 0.191 45.039 45.100 -0.419 0.000 0.651 231 G HN 0.517 nan 8.290 nan 0.000 0.523 232 Y N -0.084 120.372 120.300 0.261 0.000 2.549 232 Y HA 0.722 5.272 4.550 -0.000 0.000 0.339 232 Y C 0.391 176.509 175.900 0.364 0.000 1.053 232 Y CA -1.409 56.922 58.100 0.385 0.000 1.105 232 Y CB 1.551 40.248 38.460 0.396 0.000 1.258 232 Y HN 0.102 nan 8.280 nan 0.000 0.478 233 E N 2.066 122.618 120.200 0.587 0.000 2.186 233 E HA 0.455 4.805 4.350 -0.000 0.000 0.255 233 E C -1.961 174.962 176.600 0.539 0.000 0.881 233 E CA -0.594 56.089 56.400 0.472 0.000 0.752 233 E CB 0.648 30.592 29.700 0.407 0.000 1.176 233 E HN 0.506 nan 8.360 nan 0.000 0.421 234 L N 4.263 125.779 121.223 0.487 0.000 2.325 234 L HA 0.426 4.766 4.340 -0.000 0.000 0.279 234 L C -0.020 176.996 176.870 0.243 0.000 1.054 234 L CA -0.370 54.775 54.840 0.508 0.000 0.804 234 L CB 1.295 43.668 42.059 0.524 0.000 1.200 234 L HN 0.515 nan 8.230 nan 0.000 0.436 235 H N 2.726 122.015 119.070 0.365 0.000 2.768 235 H HA 0.273 4.829 4.556 -0.000 0.000 0.371 235 H C -1.805 173.697 175.328 0.290 0.000 1.151 235 H CA -1.530 54.654 56.048 0.227 0.000 1.165 235 H CB 2.288 32.154 29.762 0.174 0.000 1.722 235 H HN 0.383 nan 8.280 nan 0.000 0.543 236 P HA -0.185 nan 4.420 nan 0.000 0.219 236 P C 0.754 178.242 177.300 0.313 0.000 1.146 236 P CA 1.340 64.547 63.100 0.177 0.000 0.808 236 P CB 0.640 32.374 31.700 0.057 0.000 0.779 237 D N 0.037 120.632 120.400 0.326 0.000 2.149 237 D HA -0.013 4.627 4.640 -0.000 0.000 0.206 237 D C 1.221 177.698 176.300 0.294 0.000 0.967 237 D CA 1.110 55.266 54.000 0.259 0.000 0.848 237 D CB 0.290 41.154 40.800 0.107 0.000 0.998 237 D HN 0.365 nan 8.370 nan 0.000 0.474 238 K N -1.942 118.602 120.400 0.239 0.000 2.234 238 K HA 0.394 4.714 4.320 -0.000 0.000 0.263 238 K C -0.972 175.691 176.600 0.106 0.000 1.006 238 K CA -1.047 55.181 56.287 -0.097 0.000 0.854 238 K CB 1.487 33.907 32.500 -0.134 0.000 1.497 238 K HN 0.113 nan 8.250 nan 0.000 0.417 239 W N -0.544 120.685 121.300 -0.118 0.000 3.038 239 W HA 0.746 5.406 4.660 -0.000 0.000 0.347 239 W C -1.417 175.165 176.519 0.105 0.000 1.219 239 W CA -0.847 56.558 57.345 0.099 0.000 1.142 239 W CB 1.107 30.566 29.460 -0.002 0.000 1.484 239 W HN 0.852 nan 8.180 nan 0.000 0.586 240 T N -0.242 114.428 114.554 0.194 0.000 2.648 240 T HA 0.384 4.734 4.350 -0.000 0.000 0.300 240 T C -1.444 173.472 174.700 0.361 0.000 1.751 240 T CA -0.115 61.867 62.100 -0.196 0.000 0.959 240 T CB 0.695 69.262 68.868 -0.501 0.000 1.888 240 T HN 0.975 nan 8.240 nan 0.000 0.480 241 V N 1.240 121.323 119.914 0.282 0.000 2.716 241 V HA 0.673 4.793 4.120 -0.000 0.000 0.304 241 V C 0.474 176.777 176.094 0.348 0.000 1.053 241 V CA -0.986 61.588 62.300 0.457 0.000 0.984 241 V CB 1.271 33.332 31.823 0.396 0.000 1.021 241 V HN 0.848 nan 8.190 nan 0.000 0.467 242 Q N 1.564 121.570 119.800 0.344 0.000 2.326 242 Q HA 0.117 4.457 4.340 -0.000 0.000 0.314 242 Q C -2.283 173.824 176.000 0.178 0.000 1.091 242 Q CA -0.699 55.232 55.803 0.214 0.000 0.974 242 Q CB -0.264 28.542 28.738 0.113 0.000 1.220 242 Q HN 0.608 nan 8.270 nan 0.000 0.398 243 P HA -0.034 nan 4.420 nan 0.000 0.261 243 P C -0.459 176.878 177.300 0.062 0.000 1.183 243 P CA 0.433 63.591 63.100 0.096 0.000 0.761 243 P CB 0.367 32.119 31.700 0.087 0.000 0.785 244 I N 3.781 124.368 120.570 0.029 0.000 2.488 244 I HA 0.448 4.618 4.170 -0.000 0.000 0.299 244 I C 0.288 176.396 176.117 -0.014 0.000 0.984 244 I CA -0.536 60.764 61.300 -0.001 0.000 1.250 244 I CB 1.596 39.562 38.000 -0.055 0.000 1.389 244 I HN 0.098 nan 8.210 nan 0.000 0.488 245 V N 7.151 127.064 119.914 -0.003 0.000 2.655 245 V HA 0.421 4.541 4.120 -0.000 0.000 0.301 245 V C -1.027 175.079 176.094 0.021 0.000 1.082 245 V CA -0.570 61.733 62.300 0.005 0.000 0.899 245 V CB 2.012 33.843 31.823 0.012 0.000 1.014 245 V HN 0.505 nan 8.190 nan 0.000 0.429 246 L N 8.767 130.008 121.223 0.030 0.000 2.261 246 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 246 L C -1.000 175.942 176.870 0.119 0.000 1.059 246 L CA -1.471 53.416 54.840 0.078 0.000 0.816 246 L CB 0.944 43.041 42.059 0.063 0.000 1.191 246 L HN 0.486 nan 8.230 nan 0.000 0.431 247 P HA -0.323 nan 4.420 nan 0.000 0.227 247 P C 0.148 177.461 177.300 0.022 0.000 1.106 247 P CA 1.481 64.623 63.100 0.071 0.000 0.998 247 P CB 0.065 31.814 31.700 0.081 0.000 0.769 248 E N -2.322 117.950 120.200 0.120 0.000 2.326 248 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 248 E C -0.656 175.877 176.600 -0.112 0.000 1.367 248 E CA 0.133 56.576 56.400 0.073 0.000 0.666 248 E CB -1.035 28.690 29.700 0.041 0.000 1.147 248 E HN 0.321 nan 8.360 nan 0.000 0.384 249 K N 0.373 120.559 120.400 -0.357 0.000 2.288 249 K HA 0.385 4.705 4.320 -0.000 0.000 0.234 249 K C 0.235 176.614 176.600 -0.368 0.000 1.037 249 K CA -0.913 55.053 56.287 -0.535 0.000 0.914 249 K CB 0.674 32.551 32.500 -1.038 0.000 1.197 249 K HN -0.017 nan 8.250 nan 0.000 0.471 250 D N -0.176 120.034 120.400 -0.317 0.000 2.388 250 D HA 0.085 4.725 4.640 -0.000 0.000 0.208 250 D C -0.235 175.971 176.300 -0.156 0.000 1.035 250 D CA 0.657 54.566 54.000 -0.152 0.000 0.875 250 D CB 0.683 41.424 40.800 -0.098 0.000 0.984 250 D HN 0.228 nan 8.370 nan 0.000 0.508 251 S N -0.291 115.218 115.700 -0.318 0.000 2.548 251 S HA 0.515 4.985 4.470 -0.000 0.000 0.286 251 S C -1.420 172.926 174.600 -0.422 0.000 1.098 251 S CA -0.767 57.311 58.200 -0.203 0.000 0.930 251 S CB 1.736 64.869 63.200 -0.112 0.000 1.070 251 S HN 0.053 nan 8.310 nan 0.000 0.480 252 W N 1.635 122.928 121.300 -0.012 0.000 2.600 252 W HA 0.505 5.165 4.660 -0.000 0.000 0.325 252 W C 0.392 176.904 176.519 -0.013 0.000 1.034 252 W CA -0.627 56.710 57.345 -0.013 0.000 1.226 252 W CB 1.366 30.818 29.460 -0.014 0.000 1.379 252 W HN 0.659 nan 8.180 nan 0.000 0.466 253 T N -1.626 113.034 114.554 0.176 0.000 2.934 253 T HA 0.286 4.636 4.350 -0.000 0.000 0.283 253 T C 0.856 175.629 174.700 0.121 0.000 1.005 253 T CA -0.755 61.408 62.100 0.106 0.000 1.041 253 T CB 1.467 70.362 68.868 0.045 0.000 1.042 253 T HN 0.236 nan 8.240 nan 0.000 0.505 254 V N 1.855 121.815 119.914 0.076 0.000 2.370 254 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 254 V C 2.808 178.937 176.094 0.058 0.000 1.068 254 V CA 2.433 64.768 62.300 0.057 0.000 1.061 254 V CB -1.418 30.424 31.823 0.033 0.000 0.656 254 V HN 0.982 nan 8.190 nan 0.000 0.455 255 N N 0.545 119.278 118.700 0.054 0.000 2.058 255 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 255 N C 1.530 177.085 175.510 0.075 0.000 1.037 255 N CA 1.920 54.997 53.050 0.045 0.000 0.848 255 N CB -0.326 38.178 38.487 0.027 0.000 1.021 255 N HN 0.465 nan 8.380 nan 0.000 0.422 256 D N 0.148 120.621 120.400 0.121 0.000 2.123 256 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 256 D C 1.934 178.389 176.300 0.258 0.000 0.992 256 D CA 0.747 54.877 54.000 0.217 0.000 0.833 256 D CB -0.243 40.739 40.800 0.304 0.000 0.954 256 D HN 0.324 nan 8.370 nan 0.000 0.455 257 I N 1.170 121.859 120.570 0.199 0.000 2.286 257 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 257 I C 2.285 178.416 176.117 0.024 0.000 1.115 257 I CA 1.113 62.448 61.300 0.058 0.000 1.392 257 I CB -1.089 36.918 38.000 0.012 0.000 1.065 257 I HN 0.136 nan 8.210 nan 0.000 0.418 258 Q N 0.748 120.572 119.800 0.040 0.000 2.046 258 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 258 Q C 2.272 178.285 176.000 0.022 0.000 0.975 258 Q CA 1.326 57.141 55.803 0.020 0.000 0.836 258 Q CB -0.127 28.621 28.738 0.017 0.000 0.896 258 Q HN 0.365 nan 8.270 nan 0.000 0.428 259 K N 1.027 121.449 120.400 0.037 0.000 2.032 259 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 259 K C 1.983 178.604 176.600 0.034 0.000 1.048 259 K CA 0.918 57.222 56.287 0.029 0.000 0.927 259 K CB -0.312 32.212 32.500 0.040 0.000 0.712 259 K HN 0.119 nan 8.250 nan 0.000 0.441 260 L N 0.369 121.625 121.223 0.054 0.000 1.989 260 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 260 L C 1.973 178.841 176.870 -0.003 0.000 1.071 260 L CA 1.470 56.328 54.840 0.030 0.000 0.749 260 L CB -0.276 41.782 42.059 -0.001 0.000 0.890 260 L HN 0.047 nan 8.230 nan 0.000 0.431 261 V N 0.023 119.928 119.914 -0.014 0.000 2.469 261 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 261 V C 2.580 178.684 176.094 0.017 0.000 1.064 261 V CA 1.832 64.123 62.300 -0.014 0.000 1.066 261 V CB -1.209 30.603 31.823 -0.018 0.000 0.667 261 V HN 0.668 nan 8.190 nan 0.000 0.461 262 G N -0.436 108.379 108.800 0.024 0.000 2.408 262 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 262 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 262 G C 1.655 176.607 174.900 0.086 0.000 1.150 262 G CA 0.380 45.507 45.100 0.045 0.000 0.776 262 G HN 0.395 nan 8.290 nan 0.000 0.542 263 K N 0.267 120.704 120.400 0.063 0.000 2.057 263 K HA 0.093 4.413 4.320 -0.000 0.000 0.206 263 K C 2.528 179.199 176.600 0.118 0.000 1.050 263 K CA 0.490 56.833 56.287 0.094 0.000 0.935 263 K CB -0.515 32.011 32.500 0.044 0.000 0.715 263 K HN 0.326 nan 8.250 nan 0.000 0.439 264 L N 1.479 122.734 121.223 0.053 0.000 2.017 264 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 264 L C 2.106 179.008 176.870 0.052 0.000 1.073 264 L CA 1.051 55.905 54.840 0.022 0.000 0.745 264 L CB -0.583 41.467 42.059 -0.016 0.000 0.894 264 L HN 0.178 nan 8.230 nan 0.000 0.432 265 N N -0.547 118.199 118.700 0.077 0.000 2.149 265 N HA -0.256 4.484 4.740 -0.000 0.000 0.188 265 N C 1.565 177.144 175.510 0.115 0.000 1.019 265 N CA 1.363 54.464 53.050 0.085 0.000 0.857 265 N CB -0.306 38.239 38.487 0.097 0.000 0.997 265 N HN 0.534 nan 8.380 nan 0.000 0.426 266 W N 1.757 123.062 121.300 0.008 0.000 2.436 266 W HA 0.032 4.692 4.660 -0.000 0.000 0.284 266 W C 1.736 178.297 176.519 0.071 0.000 1.225 266 W CA 1.191 58.546 57.345 0.017 0.000 1.271 266 W CB 0.023 29.462 29.460 -0.036 0.000 1.114 266 W HN 0.004 nan 8.180 nan 0.000 0.559 267 A N 0.470 123.321 122.820 0.052 0.000 2.067 267 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 267 A C 1.941 179.565 177.584 0.068 0.000 1.156 267 A CA 1.604 53.664 52.037 0.038 0.000 0.683 267 A CB -1.041 17.937 19.000 -0.038 0.000 0.808 267 A HN 0.286 nan 8.150 nan 0.000 0.455 268 S N -0.091 115.616 115.700 0.012 0.000 2.595 268 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 268 S C 1.458 176.045 174.600 -0.022 0.000 0.974 268 S CA 1.011 59.217 58.200 0.010 0.000 0.942 268 S CB -0.468 62.728 63.200 -0.006 0.000 0.766 268 S HN 0.719 nan 8.310 nan 0.000 0.536 269 Q N -0.364 119.416 119.800 -0.034 0.000 2.369 269 Q HA 0.236 4.576 4.340 -0.000 0.000 0.206 269 Q C 1.399 177.463 176.000 0.106 0.000 0.963 269 Q CA 0.837 56.663 55.803 0.037 0.000 0.894 269 Q CB -0.068 28.732 28.738 0.103 0.000 0.965 269 Q HN 0.634 nan 8.270 nan 0.000 0.475 270 I N -2.397 118.182 120.570 0.014 0.000 4.983 270 I HA 0.082 4.252 4.170 -0.000 0.000 0.346 270 I C -0.964 174.984 176.117 -0.283 0.000 1.261 270 I CA -0.189 61.010 61.300 -0.170 0.000 1.406 270 I CB 0.999 38.725 38.000 -0.457 0.000 1.529 270 I HN -0.117 nan 8.210 nan 0.000 0.524 271 Y N 5.153 125.386 120.300 -0.112 0.000 2.518 271 Y HA 0.472 5.022 4.550 -0.000 0.000 0.344 271 Y C -2.124 173.726 175.900 -0.082 0.000 0.982 271 Y CA -2.582 55.461 58.100 -0.095 0.000 1.234 271 Y CB 0.330 38.742 38.460 -0.080 0.000 1.114 271 Y HN 0.065 nan 8.280 nan 0.000 0.515 272 P HA 0.124 nan 4.420 nan 0.000 0.271 272 P C 0.748 178.054 177.300 0.011 0.000 1.216 272 P CA 0.706 63.798 63.100 -0.013 0.000 0.776 272 P CB 1.508 33.186 31.700 -0.037 0.000 0.881 273 G N 2.207 111.005 108.800 -0.002 0.000 2.175 273 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 273 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 273 G C 0.296 175.192 174.900 -0.005 0.000 0.982 273 G CA -0.445 44.652 45.100 -0.004 0.000 0.641 273 G HN 0.470 nan 8.290 nan 0.000 0.527 274 I N 0.746 121.318 120.570 0.003 0.000 2.775 274 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 274 I C 0.696 176.802 176.117 -0.018 0.000 1.203 274 I CA 0.896 62.191 61.300 -0.009 0.000 1.433 274 I CB 0.946 38.946 38.000 -0.001 0.000 1.354 274 I HN 0.172 nan 8.210 nan 0.000 0.579 275 K N 4.471 124.851 120.400 -0.032 0.000 2.482 275 K HA 0.502 4.822 4.320 -0.000 0.000 0.251 275 K C -0.183 176.387 176.600 -0.050 0.000 0.936 275 K CA -0.426 55.838 56.287 -0.039 0.000 0.791 275 K CB 2.198 34.670 32.500 -0.047 0.000 1.213 275 K HN 0.411 nan 8.250 nan 0.000 0.428 276 V N 1.116 121.002 119.914 -0.047 0.000 3.261 276 V HA 0.260 4.380 4.120 -0.000 0.000 0.330 276 V C 1.232 177.291 176.094 -0.057 0.000 1.461 276 V CA -0.273 61.994 62.300 -0.056 0.000 1.127 276 V CB 0.406 32.202 31.823 -0.045 0.000 1.044 276 V HN 0.797 nan 8.190 nan 0.000 0.499 277 R N 0.334 120.800 120.500 -0.056 0.000 2.070 277 R HA -0.108 4.232 4.340 -0.000 0.000 0.233 277 R C 2.239 178.502 176.300 -0.060 0.000 1.137 277 R CA 2.199 58.266 56.100 -0.055 0.000 0.945 277 R CB -0.070 30.195 30.300 -0.058 0.000 0.845 277 R HN 0.516 nan 8.270 nan 0.000 0.430 278 Q N 0.547 120.306 119.800 -0.068 0.000 2.124 278 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 278 Q C 2.218 178.168 176.000 -0.084 0.000 0.977 278 Q CA 1.305 57.064 55.803 -0.072 0.000 0.850 278 Q CB -0.209 28.483 28.738 -0.077 0.000 0.901 278 Q HN 0.419 nan 8.270 nan 0.000 0.429 279 L N -0.937 120.227 121.223 -0.098 0.000 2.072 279 L HA -0.171 4.169 4.340 -0.000 0.000 0.205 279 L C 2.583 179.401 176.870 -0.086 0.000 1.079 279 L CA 0.746 55.515 54.840 -0.118 0.000 0.752 279 L CB -0.396 41.576 42.059 -0.144 0.000 0.906 279 L HN 0.227 nan 8.230 nan 0.000 0.436 280 C N -0.063 119.197 119.300 -0.066 0.000 2.422 280 C HA -0.155 4.305 4.460 -0.000 0.000 0.279 280 C C 2.792 177.756 174.990 -0.042 0.000 1.305 280 C CA 0.782 59.771 59.018 -0.048 0.000 1.757 280 C CB -0.574 27.142 27.740 -0.039 0.000 1.962 280 C HN 0.380 nan 8.230 nan 0.000 0.499 281 K N 0.233 120.605 120.400 -0.046 0.000 2.152 281 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 281 K C 1.668 178.247 176.600 -0.035 0.000 1.048 281 K CA 1.180 57.444 56.287 -0.039 0.000 0.933 281 K CB -0.145 32.330 32.500 -0.042 0.000 0.721 281 K HN 0.512 nan 8.250 nan 0.000 0.447 282 L N 0.387 121.584 121.223 -0.043 0.000 2.217 282 L HA -0.122 4.217 4.340 -0.000 0.000 0.211 282 L C 1.766 178.622 176.870 -0.023 0.000 1.107 282 L CA 0.728 55.546 54.840 -0.036 0.000 0.783 282 L CB -0.221 41.807 42.059 -0.052 0.000 0.919 282 L HN 0.190 nan 8.230 nan 0.000 0.442 283 L N -0.620 120.590 121.223 -0.023 0.000 2.554 283 L HA 0.015 4.355 4.340 -0.000 0.000 0.226 283 L C 0.988 177.852 176.870 -0.010 0.000 1.137 283 L CA -0.003 54.830 54.840 -0.013 0.000 0.863 283 L CB -0.320 41.732 42.059 -0.013 0.000 0.985 283 L HN 0.163 nan 8.230 nan 0.000 0.451 284 R N 0.957 121.450 120.500 -0.013 0.000 2.537 284 R HA 0.365 4.705 4.340 -0.000 0.000 0.280 284 R C 0.399 176.695 176.300 -0.006 0.000 1.058 284 R CA 0.564 56.658 56.100 -0.010 0.000 1.057 284 R CB 0.252 30.544 30.300 -0.012 0.000 0.973 284 R HN 0.193 nan 8.270 nan 0.000 0.438 285 G N 1.830 110.628 108.800 -0.004 0.000 3.190 285 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 285 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 285 G C -0.291 174.609 174.900 0.000 0.000 1.033 285 G CA -0.887 44.212 45.100 -0.001 0.000 0.797 285 G HN 0.542 nan 8.290 nan 0.000 0.567 286 T N 2.973 117.527 114.554 0.001 0.000 2.765 286 T HA 0.295 4.645 4.350 -0.000 0.000 0.275 286 T C 0.576 175.278 174.700 0.003 0.000 1.007 286 T CA 0.926 63.027 62.100 0.002 0.000 1.175 286 T CB 0.151 69.020 68.868 0.002 0.000 0.993 286 T HN 0.654 nan 8.240 nan 0.000 0.510 287 K N 1.391 121.793 120.400 0.004 0.000 2.525 287 K HA 0.600 4.920 4.320 -0.000 0.000 0.254 287 K C -0.079 176.525 176.600 0.007 0.000 0.934 287 K CA -0.856 55.435 56.287 0.006 0.000 0.802 287 K CB 2.077 34.582 32.500 0.009 0.000 1.295 287 K HN 0.631 nan 8.250 nan 0.000 0.433 288 A N 1.397 124.222 122.820 0.007 0.000 2.504 288 A HA -0.007 4.313 4.320 -0.000 0.000 0.242 288 A C 0.749 178.339 177.584 0.009 0.000 1.100 288 A CA 0.173 52.214 52.037 0.006 0.000 0.786 288 A CB 0.051 19.054 19.000 0.006 0.000 1.050 288 A HN 0.712 nan 8.150 nan 0.000 0.512 289 L N 0.003 121.230 121.223 0.007 0.000 2.529 289 L HA 0.105 4.445 4.340 -0.000 0.000 0.223 289 L C 1.946 178.823 176.870 0.012 0.000 1.113 289 L CA 2.315 57.160 54.840 0.010 0.000 0.861 289 L CB -0.252 41.810 42.059 0.004 0.000 1.012 289 L HN 0.831 nan 8.230 nan 0.000 0.461 290 T N -3.990 110.570 114.554 0.008 0.000 3.054 290 T HA 0.140 4.490 4.350 -0.000 0.000 0.255 290 T C 0.687 175.394 174.700 0.010 0.000 1.035 290 T CA -0.374 61.730 62.100 0.006 0.000 0.941 290 T CB -0.137 68.730 68.868 -0.001 0.000 1.026 290 T HN 0.318 nan 8.240 nan 0.000 0.533 291 E N 1.870 122.080 120.200 0.016 0.000 2.360 291 E HA 0.292 4.642 4.350 -0.000 0.000 0.269 291 E C -0.788 175.832 176.600 0.033 0.000 1.022 291 E CA -0.467 55.945 56.400 0.019 0.000 0.887 291 E CB 0.879 30.590 29.700 0.018 0.000 0.990 291 E HN 0.081 nan 8.360 nan 0.000 0.426 292 V N 6.686 126.620 119.914 0.032 0.000 2.432 292 V HA 0.187 4.307 4.120 -0.000 0.000 0.271 292 V C 0.344 176.475 176.094 0.062 0.000 1.046 292 V CA -0.127 62.204 62.300 0.051 0.000 0.945 292 V CB 0.499 32.343 31.823 0.035 0.000 0.992 292 V HN 0.577 nan 8.190 nan 0.000 0.471 293 I N 7.492 128.118 120.570 0.093 0.000 2.330 293 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 293 I C -2.279 173.894 176.117 0.093 0.000 1.001 293 I CA -1.901 59.443 61.300 0.074 0.000 1.193 293 I CB 1.967 40.002 38.000 0.057 0.000 1.345 293 I HN 0.427 nan 8.210 nan 0.000 0.461 294 P HA 0.142 nan 4.420 nan 0.000 0.271 294 P C -0.777 176.541 177.300 0.031 0.000 1.220 294 P CA -0.381 62.756 63.100 0.062 0.000 0.768 294 P CB 0.491 32.214 31.700 0.039 0.000 0.848 295 L N 3.772 125.013 121.223 0.031 0.000 2.361 295 L HA 0.216 4.556 4.340 -0.000 0.000 0.278 295 L C 1.088 177.943 176.870 -0.025 0.000 1.113 295 L CA 0.518 55.337 54.840 -0.034 0.000 0.849 295 L CB -0.052 41.960 42.059 -0.077 0.000 1.155 295 L HN 0.413 nan 8.230 nan 0.000 0.452 296 T N -0.676 113.854 114.554 -0.040 0.000 2.910 296 T HA 0.166 4.516 4.350 -0.000 0.000 0.293 296 T C 1.139 175.816 174.700 -0.038 0.000 1.015 296 T CA -0.751 61.330 62.100 -0.032 0.000 1.094 296 T CB 1.040 69.888 68.868 -0.034 0.000 0.968 296 T HN 0.565 nan 8.240 nan 0.000 0.521 297 E N 1.648 121.831 120.200 -0.028 0.000 2.113 297 E HA -0.277 4.073 4.350 -0.000 0.000 0.210 297 E C 1.851 178.427 176.600 -0.040 0.000 1.040 297 E CA 2.380 58.763 56.400 -0.029 0.000 0.847 297 E CB -0.235 29.451 29.700 -0.023 0.000 0.755 297 E HN 0.872 nan 8.360 nan 0.000 0.459 298 E N 0.496 120.670 120.200 -0.044 0.000 2.038 298 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 298 E C 2.009 178.570 176.600 -0.065 0.000 1.000 298 E CA 1.487 57.856 56.400 -0.051 0.000 0.803 298 E CB -0.436 29.234 29.700 -0.050 0.000 0.750 298 E HN 0.338 nan 8.360 nan 0.000 0.448 299 A N 1.332 124.107 122.820 -0.076 0.000 1.902 299 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 299 A C 2.061 179.575 177.584 -0.116 0.000 1.181 299 A CA 1.440 53.414 52.037 -0.105 0.000 0.623 299 A CB -0.417 18.510 19.000 -0.122 0.000 0.818 299 A HN 0.090 nan 8.150 nan 0.000 0.443 300 E N -0.434 119.711 120.200 -0.092 0.000 2.118 300 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 300 E C 1.849 178.411 176.600 -0.063 0.000 0.992 300 E CA 0.960 57.314 56.400 -0.076 0.000 0.804 300 E CB -0.254 29.421 29.700 -0.041 0.000 0.741 300 E HN 0.439 nan 8.360 nan 0.000 0.458 301 L N 0.779 121.968 121.223 -0.057 0.000 2.131 301 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 301 L C 2.303 179.138 176.870 -0.059 0.000 1.087 301 L CA 1.267 56.078 54.840 -0.049 0.000 0.767 301 L CB -1.010 41.023 42.059 -0.043 0.000 0.917 301 L HN 0.138 nan 8.230 nan 0.000 0.441 302 E N -0.213 119.943 120.200 -0.072 0.000 2.051 302 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 302 E C 2.177 178.723 176.600 -0.090 0.000 0.991 302 E CA 1.038 57.391 56.400 -0.079 0.000 0.799 302 E CB -0.078 29.570 29.700 -0.087 0.000 0.748 302 E HN 0.216 nan 8.360 nan 0.000 0.449 303 L N 0.698 121.851 121.223 -0.117 0.000 2.187 303 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 303 L C 1.997 178.818 176.870 -0.082 0.000 1.100 303 L CA 2.003 56.763 54.840 -0.133 0.000 0.765 303 L CB -0.644 41.294 42.059 -0.202 0.000 0.904 303 L HN 0.175 nan 8.230 nan 0.000 0.437 304 A N -0.692 122.090 122.820 -0.062 0.000 1.841 304 A HA -0.184 4.136 4.320 -0.000 0.000 0.214 304 A C 2.155 179.717 177.584 -0.038 0.000 1.195 304 A CA 1.536 53.550 52.037 -0.039 0.000 0.611 304 A CB -0.694 18.287 19.000 -0.031 0.000 0.835 304 A HN 0.541 nan 8.150 nan 0.000 0.443 305 E N -0.027 120.148 120.200 -0.042 0.000 2.097 305 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 305 E C 1.849 178.425 176.600 -0.039 0.000 1.000 305 E CA 1.364 57.742 56.400 -0.037 0.000 0.804 305 E CB -0.291 29.385 29.700 -0.040 0.000 0.740 305 E HN 0.528 nan 8.360 nan 0.000 0.454 306 N N 0.631 119.300 118.700 -0.052 0.000 2.084 306 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 306 N C 1.732 177.203 175.510 -0.064 0.000 1.030 306 N CA 0.818 53.831 53.050 -0.062 0.000 0.849 306 N CB -0.281 38.161 38.487 -0.075 0.000 1.012 306 N HN 0.128 nan 8.380 nan 0.000 0.423 307 R N 0.907 121.376 120.500 -0.051 0.000 2.096 307 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 307 R C 1.999 178.278 176.300 -0.035 0.000 1.139 307 R CA 1.185 57.261 56.100 -0.040 0.000 0.952 307 R CB -0.465 29.824 30.300 -0.018 0.000 0.854 307 R HN 0.346 nan 8.270 nan 0.000 0.436 308 E N 1.071 121.255 120.200 -0.026 0.000 2.070 308 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 308 E C 1.930 178.525 176.600 -0.008 0.000 1.004 308 E CA 1.466 57.857 56.400 -0.015 0.000 0.805 308 E CB -0.258 29.433 29.700 -0.015 0.000 0.744 308 E HN 0.332 nan 8.360 nan 0.000 0.451 309 I N 0.165 120.727 120.570 -0.012 0.000 2.226 309 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 309 I C 2.209 178.336 176.117 0.016 0.000 1.100 309 I CA 0.910 62.222 61.300 0.019 0.000 1.374 309 I CB -0.299 37.714 38.000 0.021 0.000 1.057 309 I HN 0.166 nan 8.210 nan 0.000 0.413 310 L N 1.187 122.347 121.223 -0.104 0.000 2.465 310 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 310 L C 2.615 179.438 176.870 -0.078 0.000 1.145 310 L CA 0.623 55.325 54.840 -0.231 0.000 0.834 310 L CB -0.508 41.375 42.059 -0.293 0.000 0.944 310 L HN 0.350 nan 8.230 nan 0.000 0.451 311 K N 1.631 122.022 120.400 -0.015 0.000 1.985 311 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 311 K C 0.578 177.206 176.600 0.047 0.000 1.047 311 K CA 1.019 57.313 56.287 0.012 0.000 0.932 311 K CB -0.490 32.016 32.500 0.010 0.000 0.716 311 K HN 0.391 nan 8.250 nan 0.000 0.439 312 E N 2.720 122.960 120.200 0.068 0.000 2.194 312 E HA 0.263 4.613 4.350 -0.000 0.000 0.284 312 E C -2.456 174.225 176.600 0.136 0.000 1.035 312 E CA -2.644 53.803 56.400 0.077 0.000 0.836 312 E CB 0.592 30.322 29.700 0.050 0.000 1.070 312 E HN 0.061 nan 8.360 nan 0.000 0.401 313 P HA -0.053 nan 4.420 nan 0.000 0.262 313 P C -0.951 176.385 177.300 0.061 0.000 1.182 313 P CA 0.031 63.225 63.100 0.157 0.000 0.761 313 P CB 0.646 32.443 31.700 0.162 0.000 0.795 314 V N 4.737 124.549 119.914 -0.170 0.000 2.555 314 V HA 0.356 4.476 4.120 -0.000 0.000 0.302 314 V C -0.176 175.565 176.094 -0.589 0.000 1.038 314 V CA -0.397 61.640 62.300 -0.439 0.000 0.887 314 V CB 1.511 32.805 31.823 -0.882 0.000 0.991 314 V HN 0.594 nan 8.190 nan 0.000 0.434 315 H N 1.133 119.938 119.070 -0.441 0.000 2.731 315 H HA 0.763 5.319 4.556 -0.000 0.000 0.368 315 H C 0.343 175.300 175.328 -0.619 0.000 1.168 315 H CA 0.086 55.827 56.048 -0.512 0.000 1.181 315 H CB 1.984 31.523 29.762 -0.370 0.000 1.743 315 H HN 0.876 nan 8.280 nan 0.000 0.547 316 G N 0.287 108.559 108.800 -0.880 0.000 2.417 316 G HA2 0.484 4.444 3.960 -0.000 0.000 0.334 316 G HA3 0.484 4.444 3.960 -0.000 0.000 0.334 316 G C -0.831 173.755 174.900 -0.523 0.000 1.150 316 G CA -0.456 44.114 45.100 -0.882 0.000 0.923 316 G HN 0.515 nan 8.290 nan 0.000 0.485 317 V N 0.548 120.393 119.914 -0.115 0.000 3.211 317 V HA 0.725 4.845 4.120 -0.000 0.000 0.319 317 V C -0.766 175.381 176.094 0.088 0.000 1.096 317 V CA -0.997 61.273 62.300 -0.049 0.000 1.029 317 V CB 1.446 33.280 31.823 0.019 0.000 1.137 317 V HN 0.632 nan 8.190 nan 0.000 0.453 318 Y N 0.964 121.448 120.300 0.306 0.000 2.458 318 Y HA 0.409 4.959 4.550 -0.000 0.000 0.322 318 Y C -0.485 175.583 175.900 0.280 0.000 1.259 318 Y CA -0.267 58.011 58.100 0.298 0.000 1.302 318 Y CB 0.967 39.555 38.460 0.213 0.000 1.314 318 Y HN 0.661 nan 8.280 nan 0.000 0.509 319 Y N 2.126 122.648 120.300 0.370 0.000 2.402 319 Y HA 0.127 4.677 4.550 -0.000 0.000 0.333 319 Y C -0.461 175.523 175.900 0.140 0.000 1.076 319 Y CA -0.970 57.272 58.100 0.236 0.000 1.299 319 Y CB 0.354 39.019 38.460 0.341 0.000 1.197 319 Y HN 0.456 nan 8.280 nan 0.000 0.517 320 D N 8.772 128.910 120.400 -0.437 0.000 2.454 320 D HA 0.295 4.935 4.640 -0.000 0.000 0.225 320 D C -2.143 173.614 176.300 -0.905 0.000 1.081 320 D CA -2.562 51.144 54.000 -0.491 0.000 0.864 320 D CB 1.837 42.509 40.800 -0.213 0.000 1.040 320 D HN 0.338 nan 8.370 nan 0.000 0.517 321 P HA -0.178 nan 4.420 nan 0.000 0.218 321 P C 1.352 178.487 177.300 -0.274 0.000 1.146 321 P CA 1.207 63.919 63.100 -0.647 0.000 0.813 321 P CB 0.287 31.832 31.700 -0.259 0.000 0.778 322 S N -1.309 114.256 115.700 -0.226 0.000 2.345 322 S HA -0.054 4.416 4.470 -0.000 0.000 0.219 322 S C 1.007 175.542 174.600 -0.109 0.000 1.031 322 S CA 0.592 58.717 58.200 -0.125 0.000 0.984 322 S CB -0.861 62.279 63.200 -0.100 0.000 0.874 322 S HN 0.060 nan 8.310 nan 0.000 0.451 323 K N 1.852 122.173 120.400 -0.131 0.000 2.276 323 K HA 0.214 4.534 4.320 -0.000 0.000 0.259 323 K C -0.399 176.149 176.600 -0.086 0.000 1.001 323 K CA -0.327 55.901 56.287 -0.098 0.000 0.927 323 K CB 0.146 32.589 32.500 -0.094 0.000 0.969 323 K HN 0.250 nan 8.250 nan 0.000 0.490 324 D N 0.478 120.832 120.400 -0.077 0.000 2.393 324 D HA 0.194 4.834 4.640 -0.000 0.000 0.246 324 D C -0.703 175.517 176.300 -0.132 0.000 1.275 324 D CA -0.152 53.794 54.000 -0.090 0.000 0.979 324 D CB 0.502 41.246 40.800 -0.093 0.000 1.101 324 D HN 0.017 nan 8.370 nan 0.000 0.505 325 L N 1.139 122.243 121.223 -0.198 0.000 2.341 325 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 325 L C -1.037 175.603 176.870 -0.383 0.000 1.005 325 L CA -0.502 54.140 54.840 -0.330 0.000 0.818 325 L CB 1.417 43.227 42.059 -0.415 0.000 1.259 325 L HN 0.204 nan 8.230 nan 0.000 0.418 326 I N 3.370 123.651 120.570 -0.481 0.000 2.498 326 I HA 0.700 4.870 4.170 -0.000 0.000 0.290 326 I C -0.287 175.411 176.117 -0.699 0.000 1.032 326 I CA -0.719 60.236 61.300 -0.575 0.000 1.073 326 I CB 1.693 39.324 38.000 -0.615 0.000 1.251 326 I HN 0.650 nan 8.210 nan 0.000 0.426 327 A N 5.890 128.382 122.820 -0.547 0.000 2.356 327 A HA 0.771 5.091 4.320 -0.000 0.000 0.310 327 A C -0.578 176.936 177.584 -0.116 0.000 1.075 327 A CA -0.583 51.251 52.037 -0.339 0.000 0.746 327 A CB 1.438 20.242 19.000 -0.326 0.000 1.221 327 A HN 0.723 nan 8.150 nan 0.000 0.443 328 E N 1.345 121.548 120.200 0.006 0.000 2.212 328 E HA 0.611 4.961 4.350 -0.000 0.000 0.268 328 E C -1.279 175.429 176.600 0.179 0.000 0.902 328 E CA -0.474 55.991 56.400 0.108 0.000 0.779 328 E CB 2.377 32.170 29.700 0.155 0.000 1.172 328 E HN 0.590 nan 8.360 nan 0.000 0.409 329 I N 2.741 123.405 120.570 0.157 0.000 2.447 329 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 329 I C -0.736 175.511 176.117 0.217 0.000 1.023 329 I CA -0.796 60.624 61.300 0.200 0.000 1.083 329 I CB 1.637 39.693 38.000 0.092 0.000 1.245 329 I HN 0.327 nan 8.210 nan 0.000 0.434 330 Q N 4.740 124.683 119.800 0.238 0.000 2.257 330 Q HA 0.399 4.739 4.340 -0.000 0.000 0.262 330 Q C -0.490 175.634 176.000 0.207 0.000 0.997 330 Q CA -0.717 55.193 55.803 0.179 0.000 0.873 330 Q CB 1.940 30.733 28.738 0.091 0.000 1.312 330 Q HN 0.334 nan 8.270 nan 0.000 0.450 331 K N 2.208 122.633 120.400 0.042 0.000 2.268 331 K HA 0.187 4.507 4.320 -0.000 0.000 0.276 331 K C -0.310 176.132 176.600 -0.263 0.000 1.080 331 K CA 0.032 56.124 56.287 -0.326 0.000 0.910 331 K CB 0.518 32.711 32.500 -0.513 0.000 1.163 331 K HN 0.626 nan 8.250 nan 0.000 0.465 332 Q N 1.801 121.453 119.800 -0.247 0.000 2.930 332 Q HA 0.149 4.489 4.340 -0.000 0.000 0.329 332 Q C 1.097 176.963 176.000 -0.224 0.000 1.142 332 Q CA 0.091 55.794 55.803 -0.167 0.000 0.462 332 Q CB -0.183 28.491 28.738 -0.106 0.000 5.313 332 Q HN 0.794 nan 8.270 nan 0.000 0.331 333 G N 0.238 108.929 108.800 -0.181 0.000 2.443 333 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.286 333 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.286 333 G C -0.490 174.266 174.900 -0.239 0.000 1.393 333 G CA -0.201 44.795 45.100 -0.174 0.000 1.080 333 G HN 0.285 nan 8.290 nan 0.000 0.566 334 Q N -0.504 119.188 119.800 -0.180 0.000 2.295 334 Q HA 0.456 4.796 4.340 -0.000 0.000 0.259 334 Q C 1.093 176.998 176.000 -0.159 0.000 0.976 334 Q CA 1.298 56.997 55.803 -0.173 0.000 0.923 334 Q CB 0.711 29.380 28.738 -0.115 0.000 1.185 334 Q HN 1.293 nan 8.270 nan 0.000 0.410 335 G N 2.969 111.663 108.800 -0.178 0.000 2.212 335 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.266 335 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.266 335 G C -0.070 174.786 174.900 -0.074 0.000 0.978 335 G CA 0.380 45.457 45.100 -0.038 0.000 0.632 335 G HN 0.552 nan 8.290 nan 0.000 0.537 336 Q N -1.058 118.574 119.800 -0.279 0.000 2.245 336 Q HA 0.616 4.956 4.340 -0.000 0.000 0.256 336 Q C -0.939 174.843 176.000 -0.365 0.000 0.942 336 Q CA -0.616 55.083 55.803 -0.173 0.000 0.896 336 Q CB 1.112 29.774 28.738 -0.126 0.000 1.272 336 Q HN 0.397 nan 8.270 nan 0.000 0.442 337 W N 0.556 121.914 121.300 0.098 0.000 2.998 337 W HA 0.439 5.099 4.660 -0.000 0.000 0.335 337 W C -0.269 176.349 176.519 0.165 0.000 1.110 337 W CA -0.641 56.787 57.345 0.138 0.000 1.230 337 W CB 1.877 31.455 29.460 0.197 0.000 1.405 337 W HN 0.402 nan 8.180 nan 0.000 0.493 338 T N 1.842 116.601 114.554 0.343 0.000 2.932 338 T HA 0.811 5.161 4.350 -0.000 0.000 0.289 338 T C -1.401 173.486 174.700 0.311 0.000 1.039 338 T CA -0.370 61.865 62.100 0.225 0.000 1.024 338 T CB 1.058 69.977 68.868 0.084 0.000 1.090 338 T HN 0.431 nan 8.240 nan 0.000 0.496 339 Y N 0.289 120.667 120.300 0.130 0.000 2.609 339 Y HA 0.788 5.338 4.550 -0.000 0.000 0.336 339 Y C -1.524 174.433 175.900 0.094 0.000 1.129 339 Y CA -1.295 56.870 58.100 0.110 0.000 1.040 339 Y CB 1.132 39.654 38.460 0.103 0.000 1.310 339 Y HN 0.561 nan 8.280 nan 0.000 0.460 340 Q N 2.146 122.082 119.800 0.226 0.000 2.397 340 Q HA 0.738 5.078 4.340 -0.000 0.000 0.275 340 Q C -1.582 174.517 176.000 0.165 0.000 1.090 340 Q CA -0.621 55.272 55.803 0.150 0.000 0.809 340 Q CB 3.398 32.244 28.738 0.179 0.000 1.362 340 Q HN 0.750 nan 8.270 nan 0.000 0.431 341 I N 2.755 123.399 120.570 0.123 0.000 2.466 341 I HA 0.578 4.748 4.170 -0.000 0.000 0.289 341 I C -1.223 174.879 176.117 -0.025 0.000 1.026 341 I CA -0.996 60.268 61.300 -0.060 0.000 1.078 341 I CB 0.956 38.944 38.000 -0.021 0.000 1.249 341 I HN 0.657 nan 8.210 nan 0.000 0.429 342 Y N 3.038 123.289 120.300 -0.082 0.000 2.689 342 Y HA 0.534 5.084 4.550 -0.000 0.000 0.333 342 Y C -0.200 175.620 175.900 -0.133 0.000 1.190 342 Y CA -0.980 57.075 58.100 -0.076 0.000 1.063 342 Y CB 1.064 39.512 38.460 -0.019 0.000 1.294 342 Y HN 0.438 nan 8.280 nan 0.000 0.466 343 Q N -0.286 119.640 119.800 0.211 0.000 2.288 343 Q HA 0.174 4.514 4.340 -0.000 0.000 0.256 343 Q C -0.770 175.294 176.000 0.107 0.000 0.835 343 Q CA 0.181 56.032 55.803 0.078 0.000 0.958 343 Q CB 1.600 30.333 28.738 -0.008 0.000 1.125 343 Q HN 0.756 nan 8.270 nan 0.000 0.513 344 E N 1.391 121.640 120.200 0.082 0.000 2.246 344 E HA 0.274 4.624 4.350 -0.000 0.000 0.266 344 E C -2.691 173.686 176.600 -0.372 0.000 0.880 344 E CA -2.384 53.955 56.400 -0.102 0.000 0.762 344 E CB 1.656 31.295 29.700 -0.101 0.000 1.180 344 E HN -0.271 nan 8.360 nan 0.000 0.416 345 P HA -0.134 nan 4.420 nan 0.000 0.241 345 P C -0.772 175.771 177.300 -1.262 0.000 1.093 345 P CA 1.322 63.632 63.100 -1.316 0.000 0.843 345 P CB -0.457 30.579 31.700 -1.107 0.000 0.760 346 F N -0.051 119.409 119.950 -0.818 0.000 2.699 346 F HA -0.259 4.268 4.527 -0.000 0.000 0.343 346 F C 0.776 176.429 175.800 -0.245 0.000 0.633 346 F CA 0.121 57.852 58.000 -0.448 0.000 1.365 346 F CB -1.417 37.411 39.000 -0.286 0.000 1.795 346 F HN 0.272 nan 8.300 nan 0.000 0.304 347 K N 2.069 122.403 120.400 -0.110 0.000 2.229 347 K HA 0.206 4.526 4.320 -0.000 0.000 0.247 347 K C 0.043 176.668 176.600 0.042 0.000 1.117 347 K CA -0.489 55.776 56.287 -0.037 0.000 1.036 347 K CB 0.203 32.670 32.500 -0.054 0.000 1.654 347 K HN 0.037 nan 8.250 nan 0.000 0.405 348 N N 2.079 120.817 118.700 0.064 0.000 2.412 348 N HA -0.070 4.670 4.740 -0.000 0.000 0.254 348 N C 0.893 176.481 175.510 0.130 0.000 1.232 348 N CA 0.221 53.349 53.050 0.130 0.000 0.880 348 N CB 0.752 39.279 38.487 0.067 0.000 1.076 348 N HN 0.392 nan 8.380 nan 0.000 0.458 349 L N 1.536 122.879 121.223 0.201 0.000 2.168 349 L HA 0.146 4.486 4.340 -0.000 0.000 0.203 349 L C 0.923 178.072 176.870 0.465 0.000 1.078 349 L CA 1.027 56.052 54.840 0.309 0.000 0.780 349 L CB 0.146 42.336 42.059 0.218 0.000 0.939 349 L HN 0.564 nan 8.230 nan 0.000 0.451 350 K N -2.033 118.572 120.400 0.341 0.000 2.607 350 K HA 0.337 4.656 4.320 -0.000 0.000 0.287 350 K C -1.431 175.260 176.600 0.152 0.000 0.996 350 K CA -0.579 55.914 56.287 0.343 0.000 0.876 350 K CB 1.914 34.580 32.500 0.276 0.000 1.496 350 K HN -0.281 nan 8.250 nan 0.000 0.415 351 T N -0.018 114.567 114.554 0.051 0.000 2.916 351 T HA 0.820 5.170 4.350 -0.000 0.000 0.292 351 T C -0.769 173.725 174.700 -0.344 0.000 1.064 351 T CA -0.304 61.710 62.100 -0.143 0.000 1.011 351 T CB 1.754 70.560 68.868 -0.104 0.000 1.152 351 T HN 0.784 nan 8.240 nan 0.000 0.510 352 G N 0.615 108.950 108.800 -0.774 0.000 2.619 352 G HA2 0.734 4.694 3.960 -0.000 0.000 0.305 352 G HA3 0.734 4.694 3.960 -0.000 0.000 0.305 352 G C -2.181 172.375 174.900 -0.574 0.000 1.330 352 G CA -0.966 43.649 45.100 -0.808 0.000 0.789 352 G HN 0.828 nan 8.290 nan 0.000 0.487 353 K N -1.279 119.089 120.400 -0.053 0.000 2.569 353 K HA 0.552 4.872 4.320 -0.000 0.000 0.259 353 K C -2.411 174.411 176.600 0.370 0.000 0.932 353 K CA -0.993 55.410 56.287 0.194 0.000 0.833 353 K CB 2.168 34.719 32.500 0.084 0.000 1.340 353 K HN 0.639 nan 8.250 nan 0.000 0.429 354 Y N 1.571 122.053 120.300 0.302 0.000 2.393 354 Y HA 0.649 5.199 4.550 -0.000 0.000 0.341 354 Y C -0.450 175.610 175.900 0.268 0.000 0.988 354 Y CA -0.090 58.149 58.100 0.232 0.000 1.078 354 Y CB 2.363 40.910 38.460 0.145 0.000 1.203 354 Y HN 0.894 nan 8.280 nan 0.000 0.453 355 A N 5.331 127.886 122.820 -0.442 0.000 2.699 355 A HA 0.251 4.571 4.320 -0.000 0.000 0.242 355 A C 0.322 177.667 177.584 -0.398 0.000 1.142 355 A CA -0.509 51.382 52.037 -0.244 0.000 1.008 355 A CB -0.006 18.943 19.000 -0.085 0.000 1.232 355 A HN 0.694 nan 8.150 nan 0.000 0.574 356 R N 0.647 120.650 120.500 -0.828 0.000 2.756 356 R HA 0.218 4.558 4.340 -0.000 0.000 0.264 356 R C 1.448 177.619 176.300 -0.216 0.000 1.026 356 R CA 0.583 56.413 56.100 -0.450 0.000 1.121 356 R CB 0.314 30.382 30.300 -0.387 0.000 0.999 356 R HN 0.605 nan 8.270 nan 0.000 0.449 357 M N 1.131 120.694 119.600 -0.062 0.000 2.369 357 M HA 0.235 4.715 4.480 -0.000 0.000 0.254 357 M C 0.282 176.621 176.300 0.064 0.000 1.136 357 M CA 0.367 55.677 55.300 0.017 0.000 1.190 357 M CB 0.155 32.761 32.600 0.009 0.000 1.289 357 M HN 0.480 nan 8.290 nan 0.000 0.468 358 R N 1.880 122.411 120.500 0.053 0.000 2.658 358 R HA 0.043 4.383 4.340 -0.000 0.000 0.314 358 R C -0.136 176.201 176.300 0.061 0.000 0.984 358 R CA 1.038 57.182 56.100 0.074 0.000 0.654 358 R CB -1.828 28.541 30.300 0.114 0.000 1.784 358 R HN 1.339 nan 8.270 nan 0.000 0.441 359 G N 0.202 109.020 108.800 0.030 0.000 2.846 359 G HA2 0.181 4.141 3.960 -0.000 0.000 0.660 359 G HA3 0.181 4.141 3.960 -0.000 0.000 0.660 359 G C 0.021 174.893 174.900 -0.046 0.000 1.464 359 G CA -0.189 44.908 45.100 -0.005 0.000 0.891 359 G HN 1.314 nan 8.290 nan 0.000 0.552 360 A N 0.476 123.191 122.820 -0.175 0.000 2.302 360 A HA 0.828 5.148 4.320 -0.000 0.000 0.285 360 A C 0.578 177.960 177.584 -0.337 0.000 1.105 360 A CA 0.819 52.696 52.037 -0.266 0.000 0.816 360 A CB 0.074 18.820 19.000 -0.423 0.000 1.067 360 A HN 2.336 nan 8.150 nan 0.000 0.489 361 H N -1.657 117.461 119.070 0.079 0.000 4.024 361 H HA -0.010 4.546 4.556 -0.000 0.000 0.307 361 H C -0.261 175.130 175.328 0.105 0.000 0.778 361 H CA 0.636 56.738 56.048 0.090 0.000 0.888 361 H CB -1.156 28.664 29.762 0.097 0.000 1.321 361 H HN 1.136 nan 8.280 nan 0.000 0.330 362 T N 1.693 116.367 114.554 0.201 0.000 2.774 362 T HA 0.418 4.768 4.350 -0.000 0.000 0.325 362 T C -1.568 173.177 174.700 0.075 0.000 1.753 362 T CA -0.444 61.735 62.100 0.131 0.000 1.024 362 T CB 1.459 70.395 68.868 0.114 0.000 1.628 362 T HN 0.864 nan 8.240 nan 0.000 0.497 363 N N 0.857 119.545 118.700 -0.020 0.000 2.577 363 N HA 0.528 5.268 4.740 -0.000 0.000 0.285 363 N C 0.097 175.572 175.510 -0.059 0.000 1.309 363 N CA -0.706 52.312 53.050 -0.053 0.000 0.798 363 N CB 0.681 39.069 38.487 -0.165 0.000 1.463 363 N HN 0.361 nan 8.380 nan 0.000 0.518 364 D N -0.482 119.940 120.400 0.036 0.000 2.182 364 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 364 D C 1.553 177.814 176.300 -0.066 0.000 0.986 364 D CA 0.873 54.980 54.000 0.178 0.000 0.847 364 D CB -0.142 40.832 40.800 0.290 0.000 0.942 364 D HN 0.356 nan 8.370 nan 0.000 0.467 365 V N 0.297 120.001 119.914 -0.350 0.000 2.515 365 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 365 V C 2.314 178.058 176.094 -0.583 0.000 1.058 365 V CA 1.367 63.330 62.300 -0.562 0.000 1.064 365 V CB -0.274 30.903 31.823 -1.076 0.000 0.675 365 V HN 0.118 nan 8.190 nan 0.000 0.461 366 K N -0.402 119.643 120.400 -0.592 0.000 2.044 366 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 366 K C 2.308 178.768 176.600 -0.235 0.000 1.049 366 K CA 1.053 57.129 56.287 -0.351 0.000 0.945 366 K CB -0.061 32.287 32.500 -0.252 0.000 0.724 366 K HN 0.462 nan 8.250 nan 0.000 0.440 367 Q N 0.310 120.002 119.800 -0.180 0.000 2.084 367 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 367 Q C 2.149 177.751 176.000 -0.664 0.000 0.978 367 Q CA 1.237 56.935 55.803 -0.173 0.000 0.844 367 Q CB -0.168 28.686 28.738 0.193 0.000 0.898 367 Q HN 0.240 nan 8.270 nan 0.000 0.426 368 L N 0.664 121.396 121.223 -0.819 0.000 2.042 368 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 368 L C 2.246 178.630 176.870 -0.810 0.000 1.076 368 L CA 1.925 56.113 54.840 -1.087 0.000 0.749 368 L CB -0.873 40.736 42.059 -0.750 0.000 0.893 368 L HN 0.082 nan 8.230 nan 0.000 0.432 369 T N -0.441 113.781 114.554 -0.552 0.000 2.684 369 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 369 T C 1.658 176.062 174.700 -0.494 0.000 1.036 369 T CA 1.860 63.691 62.100 -0.447 0.000 1.148 369 T CB -0.140 68.647 68.868 -0.136 0.000 0.863 369 T HN 0.531 nan 8.240 nan 0.000 0.436 370 E N 1.000 120.916 120.200 -0.474 0.000 2.051 370 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 370 E C 2.536 178.645 176.600 -0.817 0.000 0.991 370 E CA 1.038 57.138 56.400 -0.501 0.000 0.799 370 E CB -0.261 29.229 29.700 -0.349 0.000 0.748 370 E HN 0.466 nan 8.360 nan 0.000 0.449 371 A N 1.112 123.230 122.820 -1.171 0.000 1.978 371 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 371 A C 2.502 179.606 177.584 -0.801 0.000 1.170 371 A CA 1.317 52.645 52.037 -1.182 0.000 0.636 371 A CB -0.660 17.709 19.000 -1.051 0.000 0.810 371 A HN 0.131 nan 8.150 nan 0.000 0.448 372 V N -0.393 119.031 119.914 -0.816 0.000 2.379 372 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 372 V C 2.688 178.429 176.094 -0.587 0.000 1.044 372 V CA 1.877 63.630 62.300 -0.910 0.000 1.036 372 V CB -0.665 30.448 31.823 -1.184 0.000 0.664 372 V HN 0.519 nan 8.190 nan 0.000 0.453 373 Q N -0.020 119.492 119.800 -0.480 0.000 2.124 373 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 373 Q C 2.280 178.144 176.000 -0.227 0.000 0.977 373 Q CA 1.487 57.115 55.803 -0.291 0.000 0.850 373 Q CB -0.254 28.347 28.738 -0.228 0.000 0.901 373 Q HN 0.586 nan 8.270 nan 0.000 0.429 374 K N 0.287 120.508 120.400 -0.298 0.000 1.973 374 K HA -0.044 4.275 4.320 -0.000 0.000 0.210 374 K C 2.241 178.737 176.600 -0.173 0.000 1.045 374 K CA 0.921 57.088 56.287 -0.200 0.000 0.937 374 K CB -0.291 32.084 32.500 -0.209 0.000 0.721 374 K HN 0.151 nan 8.250 nan 0.000 0.438 375 I N 1.264 121.664 120.570 -0.282 0.000 2.300 375 I HA -0.324 3.846 4.170 -0.000 0.000 0.252 375 I C 2.175 178.286 176.117 -0.010 0.000 1.119 375 I CA 1.269 62.433 61.300 -0.227 0.000 1.384 375 I CB -0.502 37.292 38.000 -0.344 0.000 1.062 375 I HN 0.272 nan 8.210 nan 0.000 0.426 376 T N -0.239 114.332 114.554 0.027 0.000 2.701 376 T HA -0.151 4.199 4.350 -0.000 0.000 0.263 376 T C 1.953 176.666 174.700 0.021 0.000 1.040 376 T CA 2.019 64.165 62.100 0.077 0.000 1.147 376 T CB -0.377 68.518 68.868 0.045 0.000 0.865 376 T HN 0.344 nan 8.240 nan 0.000 0.426 377 T N 1.698 116.244 114.554 -0.014 0.000 2.635 377 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 377 T C 1.935 176.624 174.700 -0.017 0.000 1.040 377 T CA 1.706 63.798 62.100 -0.013 0.000 1.156 377 T CB -0.391 68.464 68.868 -0.022 0.000 0.863 377 T HN 0.552 nan 8.240 nan 0.000 0.430 378 E N 0.391 120.578 120.200 -0.023 0.000 2.097 378 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 378 E C 2.405 178.968 176.600 -0.062 0.000 1.000 378 E CA 1.457 57.831 56.400 -0.042 0.000 0.804 378 E CB -0.249 29.446 29.700 -0.008 0.000 0.740 378 E HN 0.352 nan 8.360 nan 0.000 0.454 379 S N -0.243 115.497 115.700 0.068 0.000 2.382 379 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 379 S C 1.932 176.620 174.600 0.146 0.000 1.027 379 S CA 1.036 59.397 58.200 0.269 0.000 0.991 379 S CB -0.240 63.102 63.200 0.237 0.000 0.823 379 S HN 0.312 nan 8.310 nan 0.000 0.469 380 I N 0.736 121.333 120.570 0.045 0.000 2.099 380 I HA -0.174 3.996 4.170 -0.000 0.000 0.239 380 I C 2.271 178.361 176.117 -0.046 0.000 1.066 380 I CA 1.131 62.441 61.300 0.017 0.000 1.324 380 I CB -0.792 37.215 38.000 0.010 0.000 1.037 380 I HN 0.174 nan 8.210 nan 0.000 0.401 381 V N 1.712 121.574 119.914 -0.086 0.000 2.215 381 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 381 V C 2.336 178.286 176.094 -0.241 0.000 1.054 381 V CA 2.512 64.734 62.300 -0.130 0.000 1.012 381 V CB -0.554 31.194 31.823 -0.126 0.000 0.639 381 V HN 0.317 nan 8.190 nan 0.000 0.448 382 I N -1.306 118.998 120.570 -0.444 0.000 2.091 382 I HA -0.296 3.874 4.170 -0.000 0.000 0.239 382 I C 2.146 177.803 176.117 -0.768 0.000 1.061 382 I CA 2.145 62.970 61.300 -0.791 0.000 1.317 382 I CB -0.445 36.609 38.000 -1.578 0.000 1.031 382 I HN 0.443 nan 8.210 nan 0.000 0.401 383 W N 0.277 121.403 121.300 -0.290 0.000 3.127 383 W HA 0.370 5.029 4.660 -0.000 0.000 0.344 383 W C 1.598 177.978 176.519 -0.232 0.000 1.151 383 W CA 0.579 57.668 57.345 -0.427 0.000 1.765 383 W CB -0.493 28.600 29.460 -0.612 0.000 1.085 383 W HN 0.427 nan 8.180 nan 0.000 0.596 384 G N 2.292 111.107 108.800 0.026 0.000 2.196 384 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.268 384 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.268 384 G C 0.258 175.194 174.900 0.061 0.000 0.975 384 G CA 1.198 46.322 45.100 0.039 0.000 0.648 384 G HN 0.391 nan 8.290 nan 0.000 0.538 385 K N -1.068 119.380 120.400 0.081 0.000 2.556 385 K HA 0.672 4.992 4.320 -0.000 0.000 0.274 385 K C -0.357 176.259 176.600 0.027 0.000 0.966 385 K CA -0.386 55.931 56.287 0.051 0.000 0.865 385 K CB 1.145 33.674 32.500 0.049 0.000 1.444 385 K HN 0.472 nan 8.250 nan 0.000 0.433 386 T N -0.276 114.271 114.554 -0.012 0.000 2.856 386 T HA 0.467 4.817 4.350 -0.000 0.000 0.292 386 T C -1.847 172.745 174.700 -0.180 0.000 0.980 386 T CA -1.260 60.800 62.100 -0.067 0.000 1.091 386 T CB 0.853 69.705 68.868 -0.027 0.000 0.936 386 T HN 0.531 nan 8.240 nan 0.000 0.503 387 P HA 0.390 nan 4.420 nan 0.000 0.280 387 P C -0.919 176.018 177.300 -0.606 0.000 1.272 387 P CA -0.902 61.899 63.100 -0.498 0.000 0.819 387 P CB 1.011 32.326 31.700 -0.641 0.000 1.122 388 K N 0.738 120.856 120.400 -0.470 0.000 2.205 388 K HA 0.414 4.734 4.320 -0.000 0.000 0.279 388 K C -0.234 176.100 176.600 -0.443 0.000 1.027 388 K CA -0.268 55.824 56.287 -0.325 0.000 0.932 388 K CB 0.426 32.818 32.500 -0.180 0.000 1.032 388 K HN 0.316 nan 8.250 nan 0.000 0.466 389 F N 1.355 121.250 119.950 -0.093 0.000 2.408 389 F HA 0.352 4.879 4.527 -0.000 0.000 0.325 389 F C 0.517 176.313 175.800 -0.006 0.000 1.082 389 F CA -0.565 57.378 58.000 -0.095 0.000 1.032 389 F CB 1.187 40.091 39.000 -0.160 0.000 1.259 389 F HN 0.146 nan 8.300 nan 0.000 0.503 390 K N 3.251 123.770 120.400 0.199 0.000 2.616 390 K HA 0.482 4.802 4.320 -0.000 0.000 0.241 390 K C -1.588 175.082 176.600 0.117 0.000 0.961 390 K CA -0.331 56.043 56.287 0.144 0.000 0.942 390 K CB 1.417 33.961 32.500 0.074 0.000 1.153 390 K HN 0.454 nan 8.250 nan 0.000 0.452 391 L N 3.732 125.039 121.223 0.141 0.000 2.329 391 L HA 0.469 4.809 4.340 -0.000 0.000 0.279 391 L C -1.876 175.052 176.870 0.096 0.000 1.014 391 L CA -2.204 52.645 54.840 0.015 0.000 0.814 391 L CB 1.605 43.492 42.059 -0.286 0.000 1.257 391 L HN 0.340 nan 8.230 nan 0.000 0.424 392 P HA 0.145 nan 4.420 nan 0.000 0.228 392 P C -0.561 176.917 177.300 0.297 0.000 1.748 392 P CA 0.515 63.709 63.100 0.156 0.000 0.909 392 P CB 0.221 32.006 31.700 0.141 0.000 1.882 393 I N -0.333 120.491 120.570 0.423 0.000 2.722 393 I HA 0.237 4.407 4.170 -0.000 0.000 0.295 393 I C -0.585 175.826 176.117 0.490 0.000 1.161 393 I CA -1.011 60.492 61.300 0.339 0.000 1.032 393 I CB 2.753 40.805 38.000 0.088 0.000 1.244 393 I HN -0.183 nan 8.210 nan 0.000 0.421 394 Q N 5.730 125.637 119.800 0.179 0.000 2.352 394 Q HA 0.131 4.471 4.340 -0.000 0.000 0.260 394 Q C 0.506 176.683 176.000 0.294 0.000 0.976 394 Q CA -0.271 55.515 55.803 -0.028 0.000 0.881 394 Q CB 1.036 29.689 28.738 -0.141 0.000 1.235 394 Q HN 0.499 nan 8.270 nan 0.000 0.419 395 K N 2.226 122.765 120.400 0.233 0.000 2.281 395 K HA -0.177 4.143 4.320 -0.000 0.000 0.203 395 K C 1.224 178.015 176.600 0.318 0.000 1.046 395 K CA 1.263 57.743 56.287 0.321 0.000 0.938 395 K CB 0.364 32.876 32.500 0.020 0.000 0.737 395 K HN 0.494 nan 8.250 nan 0.000 0.458 396 E N -0.658 119.639 120.200 0.161 0.000 2.024 396 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 396 E C 2.036 178.708 176.600 0.121 0.000 0.974 396 E CA 1.437 57.893 56.400 0.094 0.000 0.810 396 E CB -0.712 28.991 29.700 0.005 0.000 0.775 396 E HN 0.126 nan 8.360 nan 0.000 0.453 397 T N 1.473 116.089 114.554 0.103 0.000 2.649 397 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 397 T C 1.361 176.163 174.700 0.171 0.000 1.036 397 T CA 1.649 63.798 62.100 0.083 0.000 1.157 397 T CB -0.556 68.341 68.868 0.048 0.000 0.861 397 T HN 0.373 nan 8.240 nan 0.000 0.445 398 W N 1.931 123.329 121.300 0.163 0.000 2.352 398 W HA -0.147 4.513 4.660 -0.000 0.000 0.322 398 W C 2.233 178.973 176.519 0.370 0.000 1.208 398 W CA 1.578 59.076 57.345 0.255 0.000 1.286 398 W CB -0.543 29.107 29.460 0.317 0.000 1.167 398 W HN 0.346 nan 8.180 nan 0.000 0.469 399 E N -0.534 119.842 120.200 0.294 0.000 2.187 399 E HA -0.296 4.054 4.350 -0.000 0.000 0.199 399 E C 2.168 178.597 176.600 -0.285 0.000 1.004 399 E CA 2.234 58.642 56.400 0.012 0.000 0.813 399 E CB -0.270 29.486 29.700 0.093 0.000 0.736 399 E HN 0.203 nan 8.360 nan 0.000 0.468 400 T N -0.523 113.950 114.554 -0.135 0.000 2.942 400 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 400 T C 1.352 175.949 174.700 -0.171 0.000 1.062 400 T CA 0.990 62.993 62.100 -0.161 0.000 1.139 400 T CB -0.315 68.507 68.868 -0.076 0.000 0.883 400 T HN 0.490 nan 8.240 nan 0.000 0.468 401 W N 0.637 121.753 121.300 -0.306 0.000 2.407 401 W HA -0.069 4.591 4.660 -0.000 0.000 0.305 401 W C 1.974 178.306 176.519 -0.312 0.000 1.196 401 W CA 1.199 58.347 57.345 -0.327 0.000 1.311 401 W CB -0.992 28.235 29.460 -0.388 0.000 1.135 401 W HN 0.514 nan 8.180 nan 0.000 0.514 402 W N 3.512 124.397 121.300 -0.691 0.000 2.338 402 W HA -0.221 4.439 4.660 -0.000 0.000 0.304 402 W C 2.412 178.677 176.519 -0.424 0.000 1.212 402 W CA 3.676 60.627 57.345 -0.657 0.000 1.264 402 W CB -1.203 27.889 29.460 -0.613 0.000 1.142 402 W HN -0.071 nan 8.180 nan 0.000 0.512 403 T N -1.396 112.764 114.554 -0.655 0.000 2.915 403 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 403 T C 1.067 175.583 174.700 -0.306 0.000 1.071 403 T CA 1.474 63.237 62.100 -0.561 0.000 1.132 403 T CB -0.450 68.020 68.868 -0.663 0.000 0.878 403 T HN 0.392 nan 8.240 nan 0.000 0.479 404 E N 0.228 120.225 120.200 -0.337 0.000 2.511 404 E HA 0.264 4.614 4.350 -0.000 0.000 0.214 404 E C -1.257 175.165 176.600 -0.296 0.000 1.062 404 E CA -0.494 55.750 56.400 -0.260 0.000 1.213 404 E CB 0.258 29.828 29.700 -0.217 0.000 1.214 404 E HN 0.491 nan 8.360 nan 0.000 0.441 405 Y N 0.505 120.474 120.300 -0.551 0.000 2.425 405 Y HA 0.100 4.650 4.550 -0.000 0.000 0.344 405 Y C 0.510 176.151 175.900 -0.431 0.000 0.969 405 Y CA -2.100 55.593 58.100 -0.679 0.000 1.052 405 Y CB 0.620 38.364 38.460 -1.193 0.000 1.215 405 Y HN 0.121 nan 8.280 nan 0.000 0.451 406 W N 3.347 124.313 121.300 -0.556 0.000 2.358 406 W HA -0.085 4.575 4.660 -0.000 0.000 0.303 406 W C 0.023 176.279 176.519 -0.438 0.000 1.208 406 W CA 0.666 57.757 57.345 -0.424 0.000 1.274 406 W CB -0.581 28.665 29.460 -0.357 0.000 1.138 406 W HN 0.612 nan 8.180 nan 0.000 0.515 407 Q N 1.712 120.221 119.800 -2.152 0.000 2.373 407 Q HA 0.391 4.731 4.340 -0.000 0.000 0.255 407 Q C -0.111 175.523 176.000 -0.610 0.000 0.980 407 Q CA -0.055 54.788 55.803 -1.601 0.000 0.882 407 Q CB 1.061 28.546 28.738 -2.089 0.000 1.249 407 Q HN 0.123 nan 8.270 nan 0.000 0.438 408 A N 2.941 125.587 122.820 -0.289 0.000 2.366 408 A HA 0.465 4.785 4.320 -0.000 0.000 0.272 408 A C -0.668 176.883 177.584 -0.055 0.000 1.135 408 A CA -0.130 51.838 52.037 -0.114 0.000 0.804 408 A CB 0.646 19.613 19.000 -0.056 0.000 1.064 408 A HN 0.714 nan 8.150 nan 0.000 0.499 409 T N 2.574 117.123 114.554 -0.009 0.000 2.893 409 T HA 0.561 4.911 4.350 -0.000 0.000 0.293 409 T C -0.763 174.010 174.700 0.121 0.000 1.027 409 T CA -0.365 61.786 62.100 0.086 0.000 0.988 409 T CB 1.207 70.188 68.868 0.189 0.000 1.043 409 T HN 0.812 nan 8.240 nan 0.000 0.461 410 W N 3.370 124.620 121.300 -0.083 0.000 3.017 410 W HA 0.819 5.479 4.660 -0.000 0.000 0.341 410 W C -2.021 174.425 176.519 -0.121 0.000 1.180 410 W CA -1.325 55.939 57.345 -0.136 0.000 1.097 410 W CB 1.394 30.785 29.460 -0.116 0.000 1.468 410 W HN 0.663 nan 8.180 nan 0.000 0.584 411 I N 4.579 124.428 120.570 -1.202 0.000 2.740 411 I HA 0.137 4.307 4.170 -0.000 0.000 0.281 411 I C -2.457 172.817 176.117 -1.405 0.000 1.427 411 I CA -1.312 59.280 61.300 -1.180 0.000 1.110 411 I CB 1.784 39.156 38.000 -1.047 0.000 1.416 411 I HN 0.137 nan 8.210 nan 0.000 0.429 412 P HA -0.070 nan 4.420 nan 0.000 0.273 412 P C -0.599 176.598 177.300 -0.172 0.000 1.237 412 P CA 0.099 62.930 63.100 -0.448 0.000 0.813 412 P CB 0.409 32.068 31.700 -0.068 0.000 0.930 413 E N 0.919 121.092 120.200 -0.045 0.000 2.694 413 E HA -0.054 4.296 4.350 -0.000 0.000 0.250 413 E C -0.526 176.161 176.600 0.145 0.000 0.963 413 E CA 0.575 56.981 56.400 0.010 0.000 0.949 413 E CB 0.090 29.782 29.700 -0.014 0.000 0.911 413 E HN 0.335 nan 8.360 nan 0.000 0.500 414 W N 3.001 124.235 121.300 -0.109 0.000 3.018 414 W HA 0.607 5.267 4.660 -0.000 0.000 0.352 414 W C -1.116 175.379 176.519 -0.041 0.000 1.230 414 W CA -0.891 56.411 57.345 -0.072 0.000 1.162 414 W CB 0.671 30.044 29.460 -0.146 0.000 1.483 414 W HN 0.339 nan 8.180 nan 0.000 0.584 415 E N 0.761 121.090 120.200 0.214 0.000 2.383 415 E HA 0.357 4.707 4.350 -0.000 0.000 0.275 415 E C -1.859 174.936 176.600 0.326 0.000 0.918 415 E CA -0.979 55.450 56.400 0.048 0.000 0.764 415 E CB 3.395 33.110 29.700 0.025 0.000 1.252 415 E HN 0.281 nan 8.360 nan 0.000 0.449 416 F N 2.425 122.454 119.950 0.132 0.000 2.412 416 F HA 0.436 4.963 4.527 -0.000 0.000 0.348 416 F C -0.880 175.009 175.800 0.149 0.000 1.102 416 F CA -0.461 57.683 58.000 0.240 0.000 1.196 416 F CB 0.947 40.057 39.000 0.183 0.000 1.144 416 F HN 0.154 nan 8.300 nan 0.000 0.541 417 V N 7.269 126.663 119.914 -0.867 0.000 2.531 417 V HA 0.345 4.465 4.120 -0.000 0.000 0.301 417 V C -0.840 174.610 176.094 -1.074 0.000 1.034 417 V CA -0.825 61.037 62.300 -0.730 0.000 0.865 417 V CB 1.468 33.148 31.823 -0.239 0.000 0.995 417 V HN 0.858 nan 8.190 nan 0.000 0.424 418 N N 4.595 122.799 118.700 -0.827 0.000 2.739 418 N HA 0.148 4.888 4.740 -0.000 0.000 0.266 418 N C -0.042 175.398 175.510 -0.117 0.000 1.168 418 N CA 0.284 53.122 53.050 -0.353 0.000 1.055 418 N CB 0.412 38.928 38.487 0.048 0.000 1.393 418 N HN 0.893 nan 8.380 nan 0.000 0.514 419 T N 0.311 114.810 114.554 -0.093 0.000 3.250 419 T HA 0.393 4.743 4.350 -0.000 0.000 0.391 419 T C -2.641 172.074 174.700 0.024 0.000 1.502 419 T CA -1.960 60.126 62.100 -0.024 0.000 1.320 419 T CB 1.037 69.890 68.868 -0.025 0.000 1.102 419 T HN 0.086 nan 8.240 nan 0.000 0.610 420 P HA 0.113 nan 4.420 nan 0.000 0.264 420 P C -1.977 175.343 177.300 0.033 0.000 1.173 420 P CA -0.444 62.691 63.100 0.059 0.000 0.761 420 P CB -0.275 31.458 31.700 0.055 0.000 0.794 421 P HA 0.162 nan 4.420 nan 0.000 0.272 421 P C -0.847 176.518 177.300 0.109 0.000 1.248 421 P CA 0.144 63.285 63.100 0.068 0.000 0.799 421 P CB 0.368 32.090 31.700 0.037 0.000 0.997 422 L N -0.189 121.121 121.223 0.145 0.000 2.381 422 L HA 0.342 4.682 4.340 -0.000 0.000 0.268 422 L C -0.695 176.267 176.870 0.153 0.000 0.997 422 L CA -0.666 54.280 54.840 0.177 0.000 0.818 422 L CB 2.047 44.222 42.059 0.194 0.000 1.310 422 L HN 0.035 nan 8.230 nan 0.000 0.416 423 V N 3.108 123.116 119.914 0.157 0.000 2.583 423 V HA 0.510 4.630 4.120 -0.000 0.000 0.287 423 V C -0.100 175.980 176.094 -0.022 0.000 1.051 423 V CA -0.498 61.870 62.300 0.113 0.000 1.010 423 V CB 0.852 32.755 31.823 0.134 0.000 0.988 423 V HN 0.822 nan 8.190 nan 0.000 0.478 424 K N 4.340 124.644 120.400 -0.159 0.000 2.556 424 K HA 0.628 4.948 4.320 -0.000 0.000 0.274 424 K C -1.768 174.509 176.600 -0.539 0.000 0.966 424 K CA -1.049 55.004 56.287 -0.390 0.000 0.865 424 K CB 1.934 34.063 32.500 -0.618 0.000 1.444 424 K HN 0.331 nan 8.250 nan 0.000 0.433 425 L N 1.795 122.748 121.223 -0.450 0.000 2.278 425 L HA 0.267 4.607 4.340 -0.000 0.000 0.287 425 L C -0.065 176.525 176.870 -0.466 0.000 1.072 425 L CA -0.573 54.047 54.840 -0.366 0.000 0.819 425 L CB 0.158 42.095 42.059 -0.202 0.000 1.176 425 L HN 0.651 nan 8.230 nan 0.000 0.435 426 W N 4.137 125.372 121.300 -0.109 0.000 3.216 426 W HA 0.055 4.715 4.660 -0.000 0.000 0.247 426 W C -0.153 176.461 176.519 0.158 0.000 1.326 426 W CA -0.128 57.228 57.345 0.018 0.000 1.564 426 W CB -0.414 29.091 29.460 0.076 0.000 1.113 426 W HN 0.510 nan 8.180 nan 0.000 0.722 427 Y N -2.768 117.598 120.300 0.110 0.000 2.755 427 Y HA 0.274 4.824 4.550 -0.000 0.000 0.368 427 Y C -1.054 174.884 175.900 0.064 0.000 1.177 427 Y CA -2.087 56.067 58.100 0.090 0.000 1.290 427 Y CB -0.163 38.365 38.460 0.114 0.000 1.415 427 Y HN -0.244 nan 8.280 nan 0.000 0.501 428 Q N 2.597 122.563 119.800 0.277 0.000 2.418 428 Q HA 0.673 5.013 4.340 -0.000 0.000 0.276 428 Q C -1.201 174.942 176.000 0.238 0.000 1.081 428 Q CA -1.053 54.857 55.803 0.178 0.000 0.864 428 Q CB 2.916 31.707 28.738 0.089 0.000 1.384 428 Q HN 0.866 nan 8.270 nan 0.000 0.467 429 L N 1.910 123.228 121.223 0.158 0.000 2.417 429 L HA 0.224 4.564 4.340 -0.000 0.000 0.259 429 L C -0.104 176.834 176.870 0.114 0.000 1.023 429 L CA -0.609 54.308 54.840 0.129 0.000 0.901 429 L CB 1.111 43.231 42.059 0.101 0.000 1.227 429 L HN 0.390 nan 8.230 nan 0.000 0.454 430 E N 2.355 122.638 120.200 0.138 0.000 3.048 430 E HA -0.167 4.183 4.350 -0.000 0.000 0.280 430 E C 0.555 177.308 176.600 0.255 0.000 0.905 430 E CA 0.749 57.252 56.400 0.172 0.000 0.977 430 E CB 0.794 30.609 29.700 0.191 0.000 0.954 430 E HN 0.504 nan 8.360 nan 0.000 0.500 431 K N 1.723 122.237 120.400 0.189 0.000 2.323 431 K HA 0.027 4.347 4.320 -0.000 0.000 0.197 431 K C 0.292 177.030 176.600 0.230 0.000 1.043 431 K CA 0.313 56.723 56.287 0.206 0.000 0.997 431 K CB 0.345 32.903 32.500 0.097 0.000 0.807 431 K HN 0.222 nan 8.250 nan 0.000 0.497 432 E N 1.081 121.328 120.200 0.079 0.000 2.179 432 E HA 0.252 4.602 4.350 -0.000 0.000 0.275 432 E C -2.691 173.636 176.600 -0.455 0.000 0.945 432 E CA -2.653 53.664 56.400 -0.138 0.000 0.792 432 E CB 1.363 31.015 29.700 -0.081 0.000 1.125 432 E HN -0.184 nan 8.360 nan 0.000 0.397 433 P HA 0.075 nan 4.420 nan 0.000 0.269 433 P C -0.503 176.587 177.300 -0.350 0.000 1.209 433 P CA 0.194 62.705 63.100 -0.982 0.000 0.776 433 P CB 0.408 31.688 31.700 -0.699 0.000 0.876 434 I N 2.231 122.696 120.570 -0.176 0.000 2.379 434 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 434 I C 0.232 176.323 176.117 -0.043 0.000 1.063 434 I CA -0.599 60.668 61.300 -0.056 0.000 1.351 434 I CB 0.430 38.440 38.000 0.017 0.000 1.410 434 I HN 0.013 nan 8.210 nan 0.000 0.505 435 V N 5.845 125.735 119.914 -0.040 0.000 2.637 435 V HA 0.231 4.351 4.120 -0.000 0.000 0.296 435 V C 1.288 177.378 176.094 -0.005 0.000 1.046 435 V CA 0.282 62.567 62.300 -0.026 0.000 1.066 435 V CB 0.713 32.520 31.823 -0.026 0.000 0.968 435 V HN 1.133 nan 8.190 nan 0.000 0.483 436 G N 3.356 112.157 108.800 0.001 0.000 2.249 436 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.273 436 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.273 436 G C 0.142 175.054 174.900 0.021 0.000 1.036 436 G CA 0.213 45.319 45.100 0.009 0.000 0.824 436 G HN 1.631 nan 8.290 nan 0.000 0.504 437 A N -0.339 122.499 122.820 0.030 0.000 2.330 437 A HA 0.750 5.070 4.320 -0.000 0.000 0.313 437 A C 0.202 177.833 177.584 0.080 0.000 1.124 437 A CA 0.008 52.078 52.037 0.055 0.000 0.774 437 A CB 0.905 19.940 19.000 0.058 0.000 1.198 437 A HN 0.652 nan 8.150 nan 0.000 0.465 438 E N 1.785 122.043 120.200 0.097 0.000 2.652 438 E HA 0.072 4.422 4.350 -0.000 0.000 0.255 438 E C -0.438 176.263 176.600 0.169 0.000 0.952 438 E CA 0.604 57.052 56.400 0.080 0.000 0.947 438 E CB 0.314 30.053 29.700 0.064 0.000 0.912 438 E HN 0.545 nan 8.360 nan 0.000 0.489 439 T N 5.456 120.067 114.554 0.095 0.000 2.771 439 T HA 0.288 4.638 4.350 -0.000 0.000 0.291 439 T C -0.726 174.073 174.700 0.166 0.000 0.954 439 T CA -0.276 61.932 62.100 0.180 0.000 1.045 439 T CB 0.117 69.097 68.868 0.187 0.000 0.917 439 T HN 0.228 nan 8.240 nan 0.000 0.484 440 F N 2.886 122.861 119.950 0.041 0.000 2.388 440 F HA 0.374 4.901 4.527 -0.000 0.000 0.358 440 F C -0.308 175.559 175.800 0.112 0.000 1.122 440 F CA -1.295 56.735 58.000 0.050 0.000 1.056 440 F CB 0.731 39.649 39.000 -0.137 0.000 1.155 440 F HN 0.512 nan 8.300 nan 0.000 0.461 441 Y N 3.680 124.076 120.300 0.161 0.000 2.535 441 Y HA 0.409 4.959 4.550 -0.000 0.000 0.349 441 Y C 0.385 176.396 175.900 0.185 0.000 0.992 441 Y CA -1.170 57.010 58.100 0.133 0.000 1.248 441 Y CB 0.260 38.767 38.460 0.079 0.000 1.124 441 Y HN 0.375 nan 8.280 nan 0.000 0.520 442 V N -0.053 120.027 119.914 0.276 0.000 2.997 442 V HA 0.741 4.861 4.120 -0.000 0.000 0.311 442 V C -0.245 175.966 176.094 0.194 0.000 1.066 442 V CA -0.438 62.020 62.300 0.262 0.000 1.039 442 V CB 2.133 34.079 31.823 0.205 0.000 1.081 442 V HN 0.619 nan 8.190 nan 0.000 0.467 443 D N -0.819 119.690 120.400 0.181 0.000 2.764 443 D HA 0.611 5.251 4.640 -0.000 0.000 0.293 443 D C -0.732 175.654 176.300 0.144 0.000 1.287 443 D CA 0.449 54.541 54.000 0.155 0.000 0.768 443 D CB 1.895 42.797 40.800 0.169 0.000 1.288 443 D HN 1.226 nan 8.370 nan 0.000 0.426 444 G N -0.796 108.089 108.800 0.143 0.000 2.646 444 G HA2 0.821 4.781 3.960 -0.000 0.000 0.291 444 G HA3 0.821 4.781 3.960 -0.000 0.000 0.291 444 G C -1.735 173.246 174.900 0.135 0.000 1.445 444 G CA 0.155 45.328 45.100 0.123 0.000 0.814 444 G HN 0.613 nan 8.290 nan 0.000 0.495 445 A N -0.996 121.888 122.820 0.107 0.000 2.583 445 A HA 1.112 5.432 4.320 -0.000 0.000 0.289 445 A C -0.700 176.927 177.584 0.072 0.000 1.151 445 A CA -0.168 51.933 52.037 0.107 0.000 0.695 445 A CB 1.636 20.698 19.000 0.104 0.000 1.290 445 A HN 2.595 nan 8.150 nan 0.000 0.419 446 A N 0.851 123.708 122.820 0.062 0.000 2.534 446 A HA 0.541 4.861 4.320 -0.000 0.000 0.300 446 A C -1.119 176.487 177.584 0.036 0.000 1.054 446 A CA -0.550 51.514 52.037 0.044 0.000 0.858 446 A CB 0.651 19.674 19.000 0.040 0.000 1.333 446 A HN 0.826 nan 8.150 nan 0.000 0.391 447 N N 2.116 120.833 118.700 0.029 0.000 2.427 447 N HA 0.045 4.785 4.740 -0.000 0.000 0.269 447 N C 1.176 176.698 175.510 0.019 0.000 1.235 447 N CA 0.032 53.096 53.050 0.023 0.000 0.934 447 N CB 0.591 39.089 38.487 0.018 0.000 1.121 447 N HN 0.724 nan 8.380 nan 0.000 0.480 448 R N 2.120 122.631 120.500 0.018 0.000 2.127 448 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 448 R C 1.540 177.846 176.300 0.011 0.000 1.134 448 R CA 1.587 57.696 56.100 0.014 0.000 0.975 448 R CB 0.127 30.434 30.300 0.012 0.000 0.865 448 R HN 0.736 nan 8.270 nan 0.000 0.447 449 E N -0.946 119.261 120.200 0.011 0.000 2.385 449 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 449 E C 0.863 177.469 176.600 0.009 0.000 1.013 449 E CA 0.978 57.384 56.400 0.009 0.000 0.866 449 E CB 0.318 30.023 29.700 0.009 0.000 0.832 449 E HN 0.057 nan 8.360 nan 0.000 0.500 450 T N -0.107 114.454 114.554 0.011 0.000 3.056 450 T HA 0.110 4.460 4.350 -0.000 0.000 0.241 450 T C 0.182 174.890 174.700 0.012 0.000 1.006 450 T CA 0.451 62.558 62.100 0.011 0.000 1.115 450 T CB 0.241 69.115 68.868 0.011 0.000 0.939 450 T HN 0.022 nan 8.240 nan 0.000 0.462 451 K N -0.057 120.352 120.400 0.014 0.000 3.424 451 K HA -0.053 4.267 4.320 -0.000 0.000 0.297 451 K C -0.791 175.821 176.600 0.020 0.000 1.365 451 K CA 0.220 56.517 56.287 0.016 0.000 0.889 451 K CB -2.288 30.221 32.500 0.014 0.000 1.455 451 K HN 0.324 nan 8.250 nan 0.000 0.483 452 L N 0.872 122.106 121.223 0.019 0.000 2.255 452 L HA 0.542 4.882 4.340 -0.000 0.000 0.289 452 L C 0.898 177.783 176.870 0.025 0.000 1.046 452 L CA -0.300 54.552 54.840 0.020 0.000 0.816 452 L CB 1.282 43.351 42.059 0.016 0.000 1.197 452 L HN 0.258 nan 8.230 nan 0.000 0.427 453 G N 2.815 111.633 108.800 0.029 0.000 2.498 453 G HA2 0.638 4.598 3.960 -0.000 0.000 0.312 453 G HA3 0.638 4.598 3.960 -0.000 0.000 0.312 453 G C -1.099 173.822 174.900 0.035 0.000 1.230 453 G CA -0.602 44.520 45.100 0.036 0.000 0.968 453 G HN 0.455 nan 8.290 nan 0.000 0.481 454 K N 0.748 121.171 120.400 0.038 0.000 2.572 454 K HA 0.537 4.857 4.320 -0.000 0.000 0.244 454 K C -0.375 176.252 176.600 0.044 0.000 0.965 454 K CA -0.503 55.802 56.287 0.031 0.000 0.943 454 K CB 2.095 34.604 32.500 0.016 0.000 1.154 454 K HN 0.539 nan 8.250 nan 0.000 0.447 455 A N 2.552 125.404 122.820 0.053 0.000 2.310 455 A HA 0.625 4.945 4.320 -0.000 0.000 0.300 455 A C 0.279 177.899 177.584 0.060 0.000 1.269 455 A CA -0.103 51.979 52.037 0.076 0.000 0.909 455 A CB 0.386 19.443 19.000 0.096 0.000 1.144 455 A HN 0.799 nan 8.150 nan 0.000 0.540 456 G N 0.616 109.455 108.800 0.065 0.000 3.222 456 G HA2 0.754 4.714 3.960 -0.000 0.000 0.263 456 G HA3 0.754 4.714 3.960 -0.000 0.000 0.263 456 G C -0.983 173.999 174.900 0.135 0.000 1.312 456 G CA -0.251 44.852 45.100 0.006 0.000 0.934 456 G HN 1.538 nan 8.290 nan 0.000 0.577 457 Y N -3.039 117.326 120.300 0.107 0.000 2.702 457 Y HA 0.703 5.253 4.550 -0.000 0.000 0.336 457 Y C -1.582 174.375 175.900 0.096 0.000 1.203 457 Y CA -1.842 56.349 58.100 0.151 0.000 1.072 457 Y CB 0.973 39.587 38.460 0.257 0.000 1.327 457 Y HN 0.675 nan 8.280 nan 0.000 0.456 458 V N 2.001 122.205 119.914 0.484 0.000 2.777 458 V HA 0.707 4.827 4.120 -0.000 0.000 0.306 458 V C -0.247 175.926 176.094 0.132 0.000 1.112 458 V CA -0.073 62.373 62.300 0.243 0.000 0.917 458 V CB 1.654 33.511 31.823 0.056 0.000 1.018 458 V HN 1.227 nan 8.190 nan 0.000 0.426 459 T N -0.045 114.487 114.554 -0.037 0.000 2.938 459 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 459 T C 0.885 175.505 174.700 -0.134 0.000 1.028 459 T CA -0.252 61.732 62.100 -0.194 0.000 1.005 459 T CB 1.591 70.112 68.868 -0.579 0.000 1.157 459 T HN 0.705 nan 8.240 nan 0.000 0.550 460 N N 0.036 118.677 118.700 -0.098 0.000 2.461 460 N HA -0.013 4.726 4.740 -0.000 0.000 0.188 460 N C 0.654 176.120 175.510 -0.073 0.000 1.134 460 N CA 0.166 53.173 53.050 -0.072 0.000 0.878 460 N CB -0.126 38.361 38.487 0.000 0.000 0.972 460 N HN 0.639 nan 8.380 nan 0.000 0.456 461 K N -0.075 120.266 120.400 -0.098 0.000 2.498 461 K HA 0.230 4.550 4.320 -0.000 0.000 0.207 461 K C 0.589 177.149 176.600 -0.065 0.000 1.033 461 K CA 0.218 56.460 56.287 -0.075 0.000 1.138 461 K CB 0.432 32.884 32.500 -0.080 0.000 0.860 461 K HN 0.290 nan 8.250 nan 0.000 0.490 462 G N 1.966 110.725 108.800 -0.068 0.000 2.640 462 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.226 462 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.226 462 G C 0.158 175.036 174.900 -0.036 0.000 1.222 462 G CA -0.283 44.787 45.100 -0.051 0.000 0.729 462 G HN 0.361 nan 8.290 nan 0.000 0.516 463 R N 1.607 122.091 120.500 -0.027 0.000 2.598 463 R HA 0.231 4.571 4.340 -0.000 0.000 0.266 463 R C 0.333 176.674 176.300 0.068 0.000 0.977 463 R CA 1.605 57.723 56.100 0.030 0.000 1.097 463 R CB -0.223 30.112 30.300 0.059 0.000 0.911 463 R HN 0.832 nan 8.270 nan 0.000 0.419 464 Q N 0.774 120.592 119.800 0.030 0.000 2.536 464 Q HA 0.279 4.619 4.340 -0.000 0.000 0.231 464 Q C -1.571 174.272 176.000 -0.262 0.000 0.811 464 Q CA -0.738 55.007 55.803 -0.097 0.000 0.966 464 Q CB 1.455 30.155 28.738 -0.065 0.000 1.512 464 Q HN 0.487 nan 8.270 nan 0.000 0.456 465 K N 1.715 121.713 120.400 -0.670 0.000 2.156 465 K HA 0.761 5.081 4.320 -0.000 0.000 0.250 465 K C -1.335 174.990 176.600 -0.458 0.000 0.955 465 K CA -0.843 55.120 56.287 -0.541 0.000 0.855 465 K CB 1.961 34.096 32.500 -0.609 0.000 1.101 465 K HN 0.466 nan 8.250 nan 0.000 0.434 466 V N 4.316 124.092 119.914 -0.231 0.000 2.624 466 V HA 0.194 4.314 4.120 -0.000 0.000 0.294 466 V C -0.824 175.226 176.094 -0.073 0.000 1.077 466 V CA -0.985 61.234 62.300 -0.136 0.000 0.905 466 V CB 1.411 33.177 31.823 -0.095 0.000 1.025 466 V HN 0.643 nan 8.190 nan 0.000 0.440 467 V N 3.748 123.637 119.914 -0.041 0.000 2.630 467 V HA 0.851 4.971 4.120 -0.000 0.000 0.305 467 V C -2.486 173.612 176.094 0.006 0.000 1.046 467 V CA -2.314 59.979 62.300 -0.011 0.000 0.934 467 V CB 2.088 33.916 31.823 0.008 0.000 1.003 467 V HN 0.655 nan 8.190 nan 0.000 0.451 468 P HA 0.599 nan 4.420 nan 0.000 0.286 468 P C -1.459 175.856 177.300 0.025 0.000 1.261 468 P CA -0.483 62.626 63.100 0.015 0.000 0.821 468 P CB 2.005 33.710 31.700 0.010 0.000 1.013 469 L N 2.051 123.292 121.223 0.030 0.000 2.370 469 L HA 0.596 4.936 4.340 -0.000 0.000 0.266 469 L C 0.611 177.499 176.870 0.029 0.000 1.002 469 L CA -0.206 54.655 54.840 0.035 0.000 0.818 469 L CB 2.129 44.215 42.059 0.045 0.000 1.325 469 L HN 0.438 nan 8.230 nan 0.000 0.418 470 T N -1.483 113.088 114.554 0.028 0.000 2.856 470 T HA 0.500 4.850 4.350 -0.000 0.000 0.283 470 T C -0.387 174.327 174.700 0.023 0.000 1.008 470 T CA -0.855 61.258 62.100 0.023 0.000 0.997 470 T CB 1.280 70.160 68.868 0.019 0.000 0.992 470 T HN 0.549 nan 8.240 nan 0.000 0.454 471 N N 0.911 119.623 118.700 0.020 0.000 2.608 471 N HA -0.153 4.587 4.740 -0.000 0.000 0.273 471 N C -0.252 175.272 175.510 0.023 0.000 1.133 471 N CA 1.408 54.469 53.050 0.019 0.000 0.726 471 N CB -1.677 36.820 38.487 0.017 0.000 0.890 471 N HN 1.208 nan 8.380 nan 0.000 0.548 472 T N -3.605 110.963 114.554 0.024 0.000 2.894 472 T HA 0.636 4.986 4.350 -0.000 0.000 0.309 472 T C 0.251 174.965 174.700 0.024 0.000 1.208 472 T CA -0.654 61.463 62.100 0.028 0.000 1.016 472 T CB 2.275 71.167 68.868 0.039 0.000 1.192 472 T HN 0.242 nan 8.240 nan 0.000 0.491 473 T N 0.237 114.803 114.554 0.020 0.000 2.899 473 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 473 T C 1.255 175.965 174.700 0.016 0.000 1.004 473 T CA -0.785 61.319 62.100 0.007 0.000 1.043 473 T CB 0.848 69.707 68.868 -0.016 0.000 1.013 473 T HN 0.665 nan 8.240 nan 0.000 0.518 474 N N 0.608 119.312 118.700 0.008 0.000 2.258 474 N HA -0.175 4.565 4.740 -0.000 0.000 0.187 474 N C 1.673 177.203 175.510 0.033 0.000 1.012 474 N CA 1.367 54.430 53.050 0.022 0.000 0.870 474 N CB -0.059 38.433 38.487 0.010 0.000 0.977 474 N HN 0.678 nan 8.380 nan 0.000 0.434 475 Q N 0.138 119.940 119.800 0.003 0.000 2.096 475 Q HA -0.036 4.304 4.340 -0.000 0.000 0.197 475 Q C 1.879 177.964 176.000 0.141 0.000 0.964 475 Q CA 0.824 56.651 55.803 0.040 0.000 0.838 475 Q CB 0.030 28.656 28.738 -0.185 0.000 0.906 475 Q HN 0.360 nan 8.270 nan 0.000 0.444 476 K N 0.470 120.929 120.400 0.097 0.000 2.057 476 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 476 K C 2.254 178.918 176.600 0.108 0.000 1.049 476 K CA 1.781 58.133 56.287 0.109 0.000 0.931 476 K CB -0.348 32.198 32.500 0.076 0.000 0.714 476 K HN 0.319 nan 8.250 nan 0.000 0.440 477 T N -0.483 114.126 114.554 0.092 0.000 3.025 477 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 477 T C 1.686 176.454 174.700 0.113 0.000 1.126 477 T CA 0.891 63.048 62.100 0.095 0.000 1.105 477 T CB 0.047 68.964 68.868 0.081 0.000 0.884 477 T HN 0.058 nan 8.240 nan 0.000 0.522 478 Q N -0.485 119.391 119.800 0.127 0.000 2.396 478 Q HA 0.345 4.685 4.340 -0.000 0.000 0.220 478 Q C 1.874 177.954 176.000 0.134 0.000 0.900 478 Q CA 0.283 56.168 55.803 0.137 0.000 0.925 478 Q CB 0.015 28.848 28.738 0.158 0.000 1.065 478 Q HN 0.429 nan 8.270 nan 0.000 0.535 479 L N 0.524 121.831 121.223 0.141 0.000 2.375 479 L HA 0.009 4.349 4.340 -0.000 0.000 0.215 479 L C 2.130 179.067 176.870 0.111 0.000 1.108 479 L CA 1.209 56.112 54.840 0.104 0.000 0.830 479 L CB 0.032 42.158 42.059 0.113 0.000 0.959 479 L HN 0.067 nan 8.230 nan 0.000 0.457 480 Q N -0.605 119.274 119.800 0.132 0.000 2.123 480 Q HA 0.048 4.388 4.340 -0.000 0.000 0.196 480 Q C 2.167 178.280 176.000 0.188 0.000 0.958 480 Q CA 1.467 57.373 55.803 0.171 0.000 0.841 480 Q CB -0.166 28.657 28.738 0.142 0.000 0.915 480 Q HN 0.420 nan 8.270 nan 0.000 0.455 481 A N 0.002 122.916 122.820 0.156 0.000 2.125 481 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 481 A C 1.848 179.528 177.584 0.159 0.000 1.156 481 A CA 1.099 53.238 52.037 0.170 0.000 0.671 481 A CB -0.592 18.505 19.000 0.161 0.000 0.794 481 A HN 0.491 nan 8.150 nan 0.000 0.459 482 I N -2.721 117.925 120.570 0.127 0.000 2.867 482 I HA -0.073 4.097 4.170 -0.000 0.000 0.265 482 I C 2.266 178.432 176.117 0.081 0.000 1.162 482 I CA 0.572 61.914 61.300 0.070 0.000 1.471 482 I CB -0.249 37.777 38.000 0.044 0.000 1.123 482 I HN 0.436 nan 8.210 nan 0.000 0.440 483 Y N 2.097 122.388 120.300 -0.015 0.000 2.224 483 Y HA -0.184 4.366 4.550 -0.000 0.000 0.289 483 Y C 2.201 178.087 175.900 -0.023 0.000 1.146 483 Y CA 1.379 59.462 58.100 -0.029 0.000 1.182 483 Y CB -0.391 38.066 38.460 -0.005 0.000 0.983 483 Y HN 0.032 nan 8.280 nan 0.000 0.524 484 L N -0.588 120.617 121.223 -0.030 0.000 1.976 484 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 484 L C 2.698 179.494 176.870 -0.124 0.000 1.071 484 L CA 1.363 56.185 54.840 -0.029 0.000 0.746 484 L CB -1.100 41.105 42.059 0.243 0.000 0.890 484 L HN 0.236 nan 8.230 nan 0.000 0.432 485 A N -0.492 122.221 122.820 -0.178 0.000 2.131 485 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 485 A C 2.174 179.282 177.584 -0.792 0.000 1.158 485 A CA 1.408 53.034 52.037 -0.684 0.000 0.665 485 A CB -0.528 18.190 19.000 -0.471 0.000 0.795 485 A HN 0.435 nan 8.150 nan 0.000 0.460 486 L N -1.585 119.384 121.223 -0.423 0.000 2.354 486 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 486 L C 2.658 179.346 176.870 -0.304 0.000 1.091 486 L CA 0.383 55.021 54.840 -0.336 0.000 0.828 486 L CB -0.357 41.607 42.059 -0.160 0.000 0.973 486 L HN 0.484 nan 8.230 nan 0.000 0.461 487 Q N 0.658 120.252 119.800 -0.343 0.000 1.822 487 Q HA -0.115 4.225 4.340 -0.000 0.000 0.251 487 Q C 0.212 176.113 176.000 -0.164 0.000 0.969 487 Q CA 1.009 56.646 55.803 -0.276 0.000 0.875 487 Q CB -0.390 28.138 28.738 -0.350 0.000 0.917 487 Q HN 0.490 nan 8.270 nan 0.000 0.428 488 D N 1.448 121.792 120.400 -0.093 0.000 2.598 488 D HA 0.072 4.712 4.640 -0.000 0.000 0.231 488 D C -0.479 175.823 176.300 0.003 0.000 1.127 488 D CA 0.252 54.257 54.000 0.009 0.000 1.126 488 D CB 0.253 41.128 40.800 0.125 0.000 1.124 488 D HN -0.052 nan 8.370 nan 0.000 0.485 489 S N 0.186 115.841 115.700 -0.074 0.000 2.537 489 S HA 0.556 5.026 4.470 -0.000 0.000 0.271 489 S C 0.050 174.622 174.600 -0.046 0.000 1.148 489 S CA -0.578 57.568 58.200 -0.091 0.000 0.868 489 S CB 1.602 64.494 63.200 -0.513 0.000 1.115 489 S HN 0.395 nan 8.310 nan 0.000 0.461 490 G N 1.602 110.412 108.800 0.018 0.000 2.611 490 G HA2 0.387 4.347 3.960 -0.000 0.000 0.273 490 G HA3 0.387 4.347 3.960 -0.000 0.000 0.273 490 G C 0.903 175.795 174.900 -0.013 0.000 1.305 490 G CA -0.599 44.509 45.100 0.013 0.000 1.010 490 G HN 0.769 nan 8.290 nan 0.000 0.509 491 L N -0.885 120.338 121.223 0.000 0.000 2.191 491 L HA 0.045 4.385 4.340 -0.000 0.000 0.212 491 L C 1.234 178.105 176.870 0.002 0.000 1.103 491 L CA 1.141 55.980 54.840 -0.002 0.000 0.769 491 L CB -0.218 41.847 42.059 0.010 0.000 0.908 491 L HN 0.469 nan 8.230 nan 0.000 0.438 492 E N -0.915 119.294 120.200 0.014 0.000 2.227 492 E HA 0.574 4.924 4.350 -0.000 0.000 0.268 492 E C -1.229 175.391 176.600 0.034 0.000 0.907 492 E CA -0.363 56.053 56.400 0.026 0.000 0.786 492 E CB 3.199 32.920 29.700 0.035 0.000 1.191 492 E HN -0.182 nan 8.360 nan 0.000 0.411 493 V N 2.525 122.464 119.914 0.042 0.000 3.036 493 V HA 0.285 4.405 4.120 -0.000 0.000 0.288 493 V C -2.097 174.054 176.094 0.096 0.000 1.407 493 V CA -0.798 61.539 62.300 0.062 0.000 0.983 493 V CB 2.235 34.014 31.823 -0.073 0.000 1.128 493 V HN 0.679 nan 8.190 nan 0.000 0.439 494 N N 5.875 124.672 118.700 0.161 0.000 2.400 494 N HA 0.653 5.393 4.740 -0.000 0.000 0.288 494 N C -0.991 174.609 175.510 0.150 0.000 1.024 494 N CA -0.231 52.942 53.050 0.205 0.000 0.894 494 N CB 2.269 40.878 38.487 0.204 0.000 1.173 494 N HN 0.683 nan 8.380 nan 0.000 0.487 495 I N 1.604 122.217 120.570 0.071 0.000 2.436 495 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 495 I C -0.479 175.611 176.117 -0.044 0.000 1.010 495 I CA -1.012 60.293 61.300 0.008 0.000 1.098 495 I CB 2.059 40.025 38.000 -0.056 0.000 1.266 495 I HN -0.019 nan 8.210 nan 0.000 0.434 496 V N 4.814 124.672 119.914 -0.093 0.000 2.384 496 V HA 0.475 4.595 4.120 -0.000 0.000 0.287 496 V C 0.058 176.102 176.094 -0.082 0.000 1.020 496 V CA -0.312 61.888 62.300 -0.167 0.000 0.850 496 V CB 1.708 33.249 31.823 -0.469 0.000 0.987 496 V HN 0.811 nan 8.190 nan 0.000 0.436 497 T N 1.718 116.246 114.554 -0.043 0.000 2.916 497 T HA 0.443 4.793 4.350 -0.000 0.000 0.292 497 T C -0.181 174.469 174.700 -0.082 0.000 1.064 497 T CA -0.449 61.652 62.100 0.001 0.000 1.011 497 T CB 1.803 70.711 68.868 0.067 0.000 1.152 497 T HN 0.845 nan 8.240 nan 0.000 0.510 498 D N 0.540 120.896 120.400 -0.074 0.000 2.513 498 D HA 0.145 4.785 4.640 -0.000 0.000 0.222 498 D C 0.118 176.487 176.300 0.114 0.000 1.210 498 D CA -0.232 53.616 54.000 -0.254 0.000 0.825 498 D CB 0.240 40.916 40.800 -0.207 0.000 1.037 498 D HN 0.247 nan 8.370 nan 0.000 0.506 499 S N 1.202 117.054 115.700 0.252 0.000 2.512 499 S HA 0.060 4.529 4.470 -0.000 0.000 0.291 499 S C 1.146 175.945 174.600 0.331 0.000 1.151 499 S CA -0.527 57.848 58.200 0.291 0.000 1.120 499 S CB 1.132 64.455 63.200 0.205 0.000 1.029 499 S HN 0.207 nan 8.310 nan 0.000 0.485 500 Q N 4.105 124.114 119.800 0.348 0.000 2.077 500 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 500 Q C 1.395 177.428 176.000 0.055 0.000 0.989 500 Q CA 2.127 57.941 55.803 0.018 0.000 0.853 500 Q CB -0.424 28.252 28.738 -0.103 0.000 0.907 500 Q HN 0.938 nan 8.270 nan 0.000 0.418 501 Y N 0.617 120.934 120.300 0.027 0.000 2.069 501 Y HA -0.335 4.215 4.550 -0.000 0.000 0.278 501 Y C 2.134 178.053 175.900 0.032 0.000 1.175 501 Y CA 2.268 60.383 58.100 0.025 0.000 1.134 501 Y CB -0.910 37.574 38.460 0.040 0.000 0.965 501 Y HN 0.256 nan 8.280 nan 0.000 0.498 502 A N -0.011 122.693 122.820 -0.193 0.000 1.898 502 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 502 A C 2.283 179.767 177.584 -0.167 0.000 1.181 502 A CA 1.485 53.358 52.037 -0.273 0.000 0.620 502 A CB -1.301 17.664 19.000 -0.058 0.000 0.819 502 A HN 0.601 nan 8.150 nan 0.000 0.442 503 L N 0.199 121.388 121.223 -0.057 0.000 1.990 503 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 503 L C 2.404 179.227 176.870 -0.078 0.000 1.072 503 L CA 2.543 57.358 54.840 -0.043 0.000 0.755 503 L CB -0.974 41.072 42.059 -0.022 0.000 0.889 503 L HN 0.322 nan 8.230 nan 0.000 0.432 504 G N -0.116 108.620 108.800 -0.107 0.000 2.480 504 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 504 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 504 G C 1.591 176.465 174.900 -0.044 0.000 1.200 504 G CA 1.352 46.401 45.100 -0.085 0.000 0.782 504 G HN 0.503 nan 8.290 nan 0.000 0.554 505 I N 0.635 121.124 120.570 -0.136 0.000 2.151 505 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 505 I C 2.710 178.802 176.117 -0.041 0.000 1.080 505 I CA 1.158 62.391 61.300 -0.113 0.000 1.339 505 I CB -0.262 37.521 38.000 -0.362 0.000 1.039 505 I HN 0.186 nan 8.210 nan 0.000 0.409 506 I N -0.093 120.443 120.570 -0.057 0.000 2.406 506 I HA -0.250 3.920 4.170 -0.000 0.000 0.249 506 I C 2.568 178.750 176.117 0.109 0.000 1.122 506 I CA 0.973 62.288 61.300 0.026 0.000 1.431 506 I CB -0.325 37.663 38.000 -0.020 0.000 1.087 506 I HN 0.252 nan 8.210 nan 0.000 0.424 507 Q N 1.221 121.064 119.800 0.072 0.000 2.364 507 Q HA -0.118 4.222 4.340 -0.000 0.000 0.209 507 Q C 1.888 177.991 176.000 0.171 0.000 0.977 507 Q CA 1.332 57.194 55.803 0.098 0.000 0.885 507 Q CB 0.009 28.777 28.738 0.049 0.000 0.941 507 Q HN 0.542 nan 8.270 nan 0.000 0.464 508 A N -0.262 122.691 122.820 0.220 0.000 2.278 508 A HA 0.006 4.326 4.320 -0.000 0.000 0.212 508 A C 0.054 177.804 177.584 0.276 0.000 1.213 508 A CA 0.152 52.385 52.037 0.326 0.000 0.840 508 A CB -0.041 19.209 19.000 0.416 0.000 0.866 508 A HN 0.510 nan 8.150 nan 0.000 0.489 509 Q N -0.957 118.965 119.800 0.204 0.000 2.451 509 Q HA -0.133 4.207 4.340 -0.000 0.000 0.305 509 Q C -2.233 173.784 176.000 0.029 0.000 1.345 509 Q CA 0.478 56.305 55.803 0.040 0.000 0.854 509 Q CB -1.704 26.981 28.738 -0.087 0.000 1.162 509 Q HN 0.619 nan 8.270 nan 0.000 0.440 510 P HA -0.022 nan 4.420 nan 0.000 0.271 510 P C -0.172 177.230 177.300 0.169 0.000 1.216 510 P CA 0.486 63.675 63.100 0.149 0.000 0.776 510 P CB 0.726 32.524 31.700 0.164 0.000 0.881 511 D N 1.573 122.050 120.400 0.128 0.000 2.501 511 D HA 0.152 4.792 4.640 -0.000 0.000 0.224 511 D C 0.032 176.389 176.300 0.095 0.000 1.202 511 D CA -0.334 53.761 54.000 0.159 0.000 0.829 511 D CB -0.002 40.920 40.800 0.204 0.000 1.023 511 D HN 0.452 nan 8.370 nan 0.000 0.499 512 K N -2.094 118.363 120.400 0.096 0.000 2.622 512 K HA 0.512 4.832 4.320 -0.000 0.000 0.263 512 K C -1.676 174.992 176.600 0.113 0.000 0.947 512 K CA -0.767 55.562 56.287 0.071 0.000 0.885 512 K CB 1.347 33.879 32.500 0.053 0.000 1.362 512 K HN -0.055 nan 8.250 nan 0.000 0.413 513 S N 0.628 116.392 115.700 0.107 0.000 2.776 513 S HA 0.361 4.831 4.470 -0.000 0.000 0.292 513 S C -0.611 174.068 174.600 0.130 0.000 1.187 513 S CA -0.593 57.722 58.200 0.192 0.000 0.834 513 S CB 1.871 65.213 63.200 0.237 0.000 1.199 513 S HN 0.733 nan 8.310 nan 0.000 0.514 514 E N 0.518 120.815 120.200 0.161 0.000 2.498 514 E HA 0.188 4.538 4.350 -0.000 0.000 0.203 514 E C -0.330 176.327 176.600 0.096 0.000 1.013 514 E CA -0.062 56.391 56.400 0.088 0.000 0.927 514 E CB 0.947 30.676 29.700 0.049 0.000 1.012 514 E HN 0.326 nan 8.360 nan 0.000 0.482 515 S N 1.124 116.910 115.700 0.143 0.000 2.452 515 S HA 0.061 4.531 4.470 -0.000 0.000 0.284 515 S C 0.898 175.515 174.600 0.029 0.000 1.171 515 S CA -0.339 57.923 58.200 0.103 0.000 1.064 515 S CB 1.349 64.632 63.200 0.140 0.000 0.967 515 S HN 0.181 nan 8.310 nan 0.000 0.484 516 E N 3.779 123.983 120.200 0.007 0.000 2.118 516 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 516 E C 1.646 178.195 176.600 -0.084 0.000 0.992 516 E CA 1.090 57.472 56.400 -0.029 0.000 0.804 516 E CB -0.003 29.684 29.700 -0.021 0.000 0.741 516 E HN 0.806 nan 8.360 nan 0.000 0.458 517 L N -0.102 121.067 121.223 -0.091 0.000 1.961 517 L HA -0.184 4.155 4.340 -0.000 0.000 0.209 517 L C 2.368 179.109 176.870 -0.215 0.000 1.075 517 L CA 1.097 55.825 54.840 -0.186 0.000 0.749 517 L CB -0.373 41.619 42.059 -0.112 0.000 0.890 517 L HN 0.078 nan 8.230 nan 0.000 0.433 518 V N 0.854 120.688 119.914 -0.133 0.000 2.357 518 V HA -0.413 3.707 4.120 -0.000 0.000 0.257 518 V C 2.254 178.276 176.094 -0.120 0.000 1.082 518 V CA 2.240 64.454 62.300 -0.144 0.000 1.078 518 V CB -0.948 30.772 31.823 -0.172 0.000 0.663 518 V HN 0.552 nan 8.190 nan 0.000 0.455 519 N N -0.552 118.091 118.700 -0.096 0.000 2.188 519 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 519 N C 1.933 177.376 175.510 -0.111 0.000 1.018 519 N CA 1.318 54.325 53.050 -0.072 0.000 0.858 519 N CB -0.156 38.300 38.487 -0.051 0.000 0.989 519 N HN 0.644 nan 8.380 nan 0.000 0.426 520 Q N 0.825 120.502 119.800 -0.204 0.000 2.020 520 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 520 Q C 2.255 178.129 176.000 -0.210 0.000 0.982 520 Q CA 0.967 56.604 55.803 -0.277 0.000 0.838 520 Q CB -0.151 28.206 28.738 -0.635 0.000 0.899 520 Q HN 0.386 nan 8.270 nan 0.000 0.423 521 I N 0.758 121.165 120.570 -0.272 0.000 2.248 521 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 521 I C 2.261 178.326 176.117 -0.086 0.000 1.107 521 I CA 1.205 62.450 61.300 -0.092 0.000 1.373 521 I CB -0.392 37.547 38.000 -0.103 0.000 1.055 521 I HN 0.226 nan 8.210 nan 0.000 0.418 522 I N 0.669 121.187 120.570 -0.086 0.000 2.179 522 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 522 I C 2.512 178.599 176.117 -0.050 0.000 1.088 522 I CA 1.502 62.770 61.300 -0.054 0.000 1.357 522 I CB -0.450 37.573 38.000 0.037 0.000 1.051 522 I HN 0.275 nan 8.210 nan 0.000 0.409 523 E N 0.481 120.662 120.200 -0.032 0.000 2.049 523 E HA -0.286 4.064 4.350 -0.000 0.000 0.198 523 E C 2.210 178.803 176.600 -0.011 0.000 1.007 523 E CA 1.200 57.591 56.400 -0.014 0.000 0.809 523 E CB -0.246 29.453 29.700 -0.001 0.000 0.749 523 E HN 0.487 nan 8.360 nan 0.000 0.450 524 Q N 0.764 120.567 119.800 0.006 0.000 2.014 524 Q HA -0.177 4.163 4.340 -0.000 0.000 0.207 524 Q C 2.567 178.518 176.000 -0.081 0.000 0.993 524 Q CA 1.318 57.115 55.803 -0.011 0.000 0.850 524 Q CB -0.739 28.015 28.738 0.027 0.000 0.916 524 Q HN 0.362 nan 8.270 nan 0.000 0.417 525 L N 0.342 121.459 121.223 -0.176 0.000 2.089 525 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 525 L C 2.398 179.138 176.870 -0.216 0.000 1.079 525 L CA 1.078 55.713 54.840 -0.342 0.000 0.758 525 L CB -0.528 41.052 42.059 -0.799 0.000 0.891 525 L HN 0.207 nan 8.230 nan 0.000 0.433 526 I N -0.853 119.673 120.570 -0.074 0.000 2.676 526 I HA -0.219 3.951 4.170 -0.000 0.000 0.259 526 I C 2.297 178.461 176.117 0.077 0.000 1.194 526 I CA 1.074 62.436 61.300 0.103 0.000 1.473 526 I CB -0.233 37.858 38.000 0.152 0.000 1.096 526 I HN 0.231 nan 8.210 nan 0.000 0.443 527 K N 0.512 120.924 120.400 0.021 0.000 2.137 527 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 527 K C 0.738 177.345 176.600 0.012 0.000 1.052 527 K CA 0.382 56.681 56.287 0.020 0.000 0.961 527 K CB 0.156 32.658 32.500 0.003 0.000 0.741 527 K HN 0.038 nan 8.250 nan 0.000 0.452 528 K N 1.409 121.801 120.400 -0.012 0.000 2.286 528 K HA -0.014 4.306 4.320 -0.000 0.000 0.256 528 K C 0.774 177.385 176.600 0.018 0.000 0.999 528 K CA 0.663 56.942 56.287 -0.013 0.000 0.908 528 K CB 0.479 32.952 32.500 -0.046 0.000 0.981 528 K HN 0.165 nan 8.250 nan 0.000 0.500 529 E N 0.613 120.826 120.200 0.021 0.000 2.465 529 E HA 0.076 4.426 4.350 -0.000 0.000 0.209 529 E C -0.438 176.187 176.600 0.042 0.000 0.951 529 E CA 0.265 56.687 56.400 0.037 0.000 0.997 529 E CB 0.697 30.416 29.700 0.032 0.000 1.025 529 E HN 0.276 nan 8.360 nan 0.000 0.500 530 K N 1.315 121.736 120.400 0.035 0.000 2.651 530 K HA 0.296 4.616 4.320 -0.000 0.000 0.259 530 K C -1.515 175.114 176.600 0.049 0.000 1.017 530 K CA -0.229 56.088 56.287 0.049 0.000 0.897 530 K CB 2.558 35.087 32.500 0.048 0.000 1.262 530 K HN -0.175 nan 8.250 nan 0.000 0.460 531 V N 2.607 122.556 119.914 0.058 0.000 2.540 531 V HA 0.433 4.553 4.120 -0.000 0.000 0.302 531 V C -1.137 175.021 176.094 0.107 0.000 1.035 531 V CA -1.001 61.325 62.300 0.044 0.000 0.873 531 V CB 1.519 33.327 31.823 -0.026 0.000 0.992 531 V HN 0.680 nan 8.190 nan 0.000 0.428 532 Y N 4.904 125.202 120.300 -0.004 0.000 2.326 532 Y HA 0.705 5.255 4.550 -0.000 0.000 0.329 532 Y C -1.044 174.857 175.900 0.001 0.000 0.973 532 Y CA -0.726 57.379 58.100 0.007 0.000 1.162 532 Y CB 1.405 39.870 38.460 0.009 0.000 1.147 532 Y HN 0.604 nan 8.280 nan 0.000 0.456 533 L N 5.921 126.721 121.223 -0.705 0.000 2.325 533 L HA 0.934 5.274 4.340 -0.000 0.000 0.278 533 L C -0.476 175.980 176.870 -0.689 0.000 1.023 533 L CA -0.801 53.739 54.840 -0.500 0.000 0.811 533 L CB 1.560 43.473 42.059 -0.243 0.000 1.249 533 L HN 0.844 nan 8.230 nan 0.000 0.431 534 A N 2.704 125.333 122.820 -0.317 0.000 2.566 534 A HA 0.673 4.993 4.320 -0.000 0.000 0.292 534 A C -2.275 175.358 177.584 0.083 0.000 1.112 534 A CA -0.470 51.503 52.037 -0.106 0.000 0.707 534 A CB 1.582 20.609 19.000 0.045 0.000 1.302 534 A HN 0.757 nan 8.150 nan 0.000 0.409 535 W N 0.522 121.785 121.300 -0.061 0.000 2.882 535 W HA 0.661 5.321 4.660 -0.000 0.000 0.345 535 W C -1.283 175.230 176.519 -0.009 0.000 1.125 535 W CA -0.342 56.981 57.345 -0.037 0.000 1.167 535 W CB 2.044 31.483 29.460 -0.035 0.000 1.431 535 W HN 1.178 nan 8.180 nan 0.000 0.543 536 V N 1.730 121.068 119.914 -0.960 0.000 3.048 536 V HA 0.580 4.700 4.120 -0.000 0.000 0.303 536 V C -2.858 172.280 176.094 -1.593 0.000 1.214 536 V CA -2.784 58.937 62.300 -0.966 0.000 0.984 536 V CB 1.487 33.076 31.823 -0.390 0.000 1.054 536 V HN 0.494 nan 8.190 nan 0.000 0.430 537 P HA 0.204 nan 4.420 nan 0.000 0.255 537 P C 0.293 177.364 177.300 -0.381 0.000 1.173 537 P CA 1.023 63.718 63.100 -0.675 0.000 0.780 537 P CB 0.118 31.680 31.700 -0.230 0.000 0.758 538 A N 3.948 126.594 122.820 -0.291 0.000 2.540 538 A HA -0.022 4.298 4.320 -0.000 0.000 0.239 538 A C 0.544 178.093 177.584 -0.059 0.000 1.061 538 A CA 0.108 52.027 52.037 -0.196 0.000 0.758 538 A CB -1.008 17.843 19.000 -0.248 0.000 0.991 538 A HN 0.819 nan 8.150 nan 0.000 0.502 539 H N -0.072 118.974 119.070 -0.041 0.000 2.594 539 H HA -0.175 4.381 4.556 -0.000 0.000 0.316 539 H C 0.750 176.067 175.328 -0.020 0.000 1.107 539 H CA 0.788 56.825 56.048 -0.019 0.000 1.133 539 H CB -0.627 29.134 29.762 -0.001 0.000 1.459 539 H HN 0.620 nan 8.280 nan 0.000 0.411 540 K N 0.484 120.927 120.400 0.072 0.000 2.353 540 K HA 0.179 4.498 4.320 -0.000 0.000 0.195 540 K C 0.980 177.593 176.600 0.022 0.000 1.031 540 K CA 0.797 57.103 56.287 0.032 0.000 1.079 540 K CB 0.725 33.222 32.500 -0.005 0.000 0.857 540 K HN 0.558 nan 8.250 nan 0.000 0.535 541 G N 1.784 110.599 108.800 0.025 0.000 2.623 541 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.281 541 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.281 541 G C -0.418 174.486 174.900 0.007 0.000 1.087 541 G CA -0.034 45.072 45.100 0.010 0.000 1.244 541 G HN 0.076 nan 8.290 nan 0.000 0.544 542 I N 0.138 120.715 120.570 0.013 0.000 2.910 542 I HA 0.651 4.821 4.170 -0.000 0.000 0.310 542 I C 1.351 177.490 176.117 0.035 0.000 1.043 542 I CA -0.709 60.602 61.300 0.020 0.000 1.053 542 I CB 1.056 39.063 38.000 0.012 0.000 1.242 542 I HN 0.461 nan 8.210 nan 0.000 0.452 543 G N 1.466 110.292 108.800 0.042 0.000 2.202 543 G HA2 0.337 4.297 3.960 -0.000 0.000 0.251 543 G HA3 0.337 4.297 3.960 -0.000 0.000 0.251 543 G C 0.955 175.885 174.900 0.051 0.000 1.219 543 G CA 0.674 45.790 45.100 0.028 0.000 0.943 543 G HN 1.264 nan 8.290 nan 0.000 0.465 544 G N 2.820 111.535 108.800 -0.141 0.000 3.206 544 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.217 544 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.217 544 G C 1.624 176.479 174.900 -0.075 0.000 1.350 544 G CA 0.873 45.682 45.100 -0.485 0.000 0.836 544 G HN 0.838 nan 8.290 nan 0.000 0.548 545 N N 1.656 120.496 118.700 0.233 0.000 2.104 545 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 545 N C 1.966 177.527 175.510 0.085 0.000 1.024 545 N CA 2.238 55.408 53.050 0.200 0.000 0.853 545 N CB -0.261 38.304 38.487 0.130 0.000 1.008 545 N HN 0.767 nan 8.380 nan 0.000 0.424 546 E N 0.475 120.695 120.200 0.033 0.000 2.023 546 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 546 E C 1.980 178.563 176.600 -0.028 0.000 1.003 546 E CA 1.126 57.522 56.400 -0.007 0.000 0.809 546 E CB -0.293 29.395 29.700 -0.020 0.000 0.755 546 E HN 0.325 nan 8.360 nan 0.000 0.449 547 Q N 0.674 120.443 119.800 -0.050 0.000 2.082 547 Q HA -0.206 4.134 4.340 -0.000 0.000 0.211 547 Q C 2.287 178.262 176.000 -0.041 0.000 1.002 547 Q CA 2.523 58.285 55.803 -0.067 0.000 0.868 547 Q CB -0.466 28.199 28.738 -0.122 0.000 0.931 547 Q HN 0.344 nan 8.270 nan 0.000 0.414 548 V N 1.359 121.268 119.914 -0.008 0.000 2.270 548 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 548 V C 2.365 178.472 176.094 0.022 0.000 1.043 548 V CA 2.035 64.354 62.300 0.032 0.000 1.014 548 V CB -1.039 30.852 31.823 0.114 0.000 0.645 548 V HN 0.395 nan 8.190 nan 0.000 0.447 549 D N 0.342 120.759 120.400 0.028 0.000 2.218 549 D HA -0.272 4.368 4.640 -0.000 0.000 0.194 549 D C 2.000 178.252 176.300 -0.080 0.000 1.007 549 D CA 1.850 55.837 54.000 -0.022 0.000 0.879 549 D CB -0.103 40.652 40.800 -0.074 0.000 0.918 549 D HN 0.293 nan 8.370 nan 0.000 0.449 550 K N -0.105 120.255 120.400 -0.067 0.000 1.969 550 K HA -0.104 4.216 4.320 -0.000 0.000 0.216 550 K C 2.111 178.680 176.600 -0.051 0.000 1.048 550 K CA 1.685 57.932 56.287 -0.068 0.000 0.948 550 K CB -0.916 31.551 32.500 -0.056 0.000 0.726 550 K HN 0.326 nan 8.250 nan 0.000 0.442 551 L N -0.936 120.264 121.223 -0.039 0.000 2.549 551 L HA 0.024 4.364 4.340 -0.000 0.000 0.229 551 L C 1.568 178.423 176.870 -0.026 0.000 1.158 551 L CA 1.003 55.823 54.840 -0.035 0.000 0.842 551 L CB -0.748 41.288 42.059 -0.040 0.000 0.952 551 L HN -0.086 nan 8.230 nan 0.000 0.452 552 V N -0.247 119.658 119.914 -0.016 0.000 2.599 552 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 552 V C 2.400 178.495 176.094 0.002 0.000 1.046 552 V CA 1.452 63.755 62.300 0.005 0.000 1.065 552 V CB -0.127 31.720 31.823 0.040 0.000 0.703 552 V HN 0.733 nan 8.190 nan 0.000 0.464 553 S N 0.539 116.224 115.700 -0.024 0.000 2.535 553 S HA 0.310 4.780 4.470 -0.000 0.000 0.214 553 S C 1.252 175.835 174.600 -0.029 0.000 0.980 553 S CA 0.353 58.535 58.200 -0.029 0.000 0.907 553 S CB -0.074 63.078 63.200 -0.080 0.000 0.790 553 S HN 0.448 nan 8.310 nan 0.000 0.510 554 A N 2.017 124.818 122.820 -0.031 0.000 2.517 554 A HA 0.503 4.823 4.320 -0.000 0.000 0.284 554 A C 1.323 178.896 177.584 -0.018 0.000 1.195 554 A CA 0.409 52.429 52.037 -0.027 0.000 0.873 554 A CB -1.660 17.323 19.000 -0.028 0.000 1.055 554 A HN 1.635 nan 8.150 nan 0.000 0.538 555 G N 0.133 108.924 108.800 -0.015 0.000 2.888 555 G HA2 0.326 4.286 3.960 -0.000 0.000 0.441 555 G HA3 0.326 4.286 3.960 -0.000 0.000 0.441 555 G C 0.716 175.614 174.900 -0.003 0.000 1.461 555 G CA 0.380 45.475 45.100 -0.008 0.000 0.897 555 G HN 2.642 nan 8.290 nan 0.000 0.547 556 I N -2.520 118.051 120.570 0.001 0.000 6.822 556 I HA 0.419 4.589 4.170 -0.000 0.000 0.126 556 I C 1.088 177.212 176.117 0.012 0.000 1.756 556 I CA 3.486 64.790 61.300 0.007 0.000 2.250 556 I CB -2.672 35.332 38.000 0.007 0.000 3.407 556 I HN 2.984 nan 8.210 nan 0.000 0.229 557 R N 0.000 120.507 120.500 0.011 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 557 R CA 0.000 56.111 56.100 0.018 0.000 0.921 557 R CB 0.000 30.308 30.300 0.013 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535