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 3c6u_1_A DATA FIRST_RESID 0 DATA SEQUENCE SPISPIETVP VKLKPGMDGP KVKQWPLTEE KIKALVEICT EMEKEGKISK DATA SEQUENCE IGPENPYNTP VFAIKKKDST KWRKLVDFRE LNKRTQDFWE VQLGIPHPAG DATA SEQUENCE LKKKKSVTVL DVGDAYFSVP LDEDFRKYTA FTIPSINNET PGIRYQYNVL DATA SEQUENCE PQGWKGSPAI FQSSMTKILE PFRKQNPDIV IYQYMDDLYV GSDLEIGQHR DATA SEQUENCE TKIEELRQHL LRWGLTTPDK KHQKEPPFLW MGYELHPDKW TVQPIVLPEK DATA SEQUENCE DSWTVNDIQK LVGKLNWASQ IYPGIKVRQL CKLLRGTKAL TEVIPLTEEA DATA SEQUENCE ELELAENREI LKEPVHGVYY DPSKDLIAEI QKQGQGQWTY QIYQEPFKNL DATA SEQUENCE KTGKYARMRG AHTNDVKQLT EAVQKITTES IVIWGKTPKF KLPIQKETWE DATA SEQUENCE TWWTEYWQAT WIPEWEFVNT PPLVKLWYQL EKEPIVGAET FYVDGAANRE DATA SEQUENCE TKLGKAGYVT NRGRQKVVTL TDTTNQKTEL QAIYLALQDS GLEVNIVTDS DATA SEQUENCE QYALGIIQAQ PDQSESELVN QIIEQLIKKE KVYLAWVPAH KGIGGNEQVD DATA SEQUENCE KLVSAGIR 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.638 174.600 0.064 0.000 1.055 0 S CA 0.000 58.236 58.200 0.061 0.000 1.107 0 S CB 0.000 63.252 63.200 0.087 0.000 0.593 1 P HA 0.327 nan 4.420 nan 0.000 0.268 1 P C -0.743 176.608 177.300 0.086 0.000 1.208 1 P CA -0.359 62.775 63.100 0.057 0.000 0.777 1 P CB 0.229 31.957 31.700 0.047 0.000 0.875 2 I N 0.646 121.265 120.570 0.081 0.000 2.778 2 I HA 0.103 4.273 4.170 -0.001 0.000 0.285 2 I C 0.384 176.568 176.117 0.113 0.000 1.236 2 I CA -0.795 60.568 61.300 0.105 0.000 1.089 2 I CB -0.587 37.465 38.000 0.087 0.000 1.601 2 I HN 0.339 nan 8.210 nan 0.000 0.573 3 S N 6.283 122.066 115.700 0.138 0.000 4.609 3 S HA -0.112 4.358 4.470 -0.001 0.000 0.546 3 S C -1.064 173.640 174.600 0.172 0.000 1.001 3 S CA -0.225 58.080 58.200 0.174 0.000 1.031 3 S CB 0.417 63.735 63.200 0.197 0.000 1.782 3 S HN 0.448 nan 8.310 nan 0.000 0.374 4 P HA 0.049 nan 4.420 nan 0.000 0.237 4 P C 0.953 178.426 177.300 0.287 0.000 1.178 4 P CA -0.011 63.186 63.100 0.161 0.000 0.766 4 P CB -0.375 31.333 31.700 0.012 0.000 0.876 5 I N -1.173 119.623 120.570 0.376 0.000 3.161 5 I HA 0.098 4.268 4.170 -0.001 0.000 0.284 5 I C 0.401 176.602 176.117 0.139 0.000 1.252 5 I CA -0.013 61.444 61.300 0.262 0.000 1.374 5 I CB -0.088 37.954 38.000 0.070 0.000 1.359 5 I HN -0.097 nan 8.210 nan 0.000 0.606 6 E N 2.156 122.404 120.200 0.079 0.000 2.425 6 E HA 0.086 4.436 4.350 -0.001 0.000 0.258 6 E C -0.504 176.127 176.600 0.053 0.000 1.151 6 E CA 0.123 56.558 56.400 0.059 0.000 0.958 6 E CB 0.615 30.334 29.700 0.031 0.000 0.968 6 E HN 0.701 nan 8.360 nan 0.000 0.451 7 T N 0.872 115.461 114.554 0.058 0.000 2.895 7 T HA 0.279 4.628 4.350 -0.001 0.000 0.283 7 T C -0.709 174.028 174.700 0.061 0.000 1.014 7 T CA -0.644 61.496 62.100 0.066 0.000 1.037 7 T CB 1.173 70.087 68.868 0.077 0.000 1.006 7 T HN 0.118 nan 8.240 nan 0.000 0.468 8 V N 7.052 127.010 119.914 0.073 0.000 2.368 8 V HA 0.262 4.382 4.120 -0.001 0.000 0.266 8 V C -1.868 174.280 176.094 0.091 0.000 1.045 8 V CA -1.829 60.520 62.300 0.080 0.000 0.899 8 V CB 0.665 32.548 31.823 0.100 0.000 1.006 8 V HN 0.720 nan 8.190 nan 0.000 0.470 9 P HA 0.103 nan 4.420 nan 0.000 0.262 9 P C -0.582 176.742 177.300 0.039 0.000 1.199 9 P CA 0.305 63.442 63.100 0.063 0.000 0.763 9 P CB 0.835 32.563 31.700 0.045 0.000 0.790 10 V N 4.989 124.913 119.914 0.018 0.000 2.581 10 V HA 0.460 4.580 4.120 -0.001 0.000 0.303 10 V C 0.438 176.468 176.094 -0.106 0.000 1.041 10 V CA -0.486 61.736 62.300 -0.130 0.000 0.907 10 V CB 1.857 33.485 31.823 -0.324 0.000 0.994 10 V HN 0.452 nan 8.190 nan 0.000 0.442 11 K N 2.940 123.254 120.400 -0.144 0.000 2.435 11 K HA 0.688 5.007 4.320 -0.001 0.000 0.251 11 K C -1.178 175.428 176.600 0.010 0.000 0.954 11 K CA -0.759 55.534 56.287 0.010 0.000 0.820 11 K CB 2.468 34.957 32.500 -0.017 0.000 1.292 11 K HN 0.439 nan 8.250 nan 0.000 0.436 12 L N 1.454 122.716 121.223 0.065 0.000 2.468 12 L HA 0.313 4.652 4.340 -0.001 0.000 0.254 12 L C 0.276 177.131 176.870 -0.025 0.000 1.171 12 L CA -0.566 54.277 54.840 0.006 0.000 0.809 12 L CB 0.435 42.407 42.059 -0.145 0.000 1.155 12 L HN 0.393 nan 8.230 nan 0.000 0.473 13 K N 1.408 121.794 120.400 -0.023 0.000 2.379 13 K HA 0.190 4.510 4.320 -0.001 0.000 0.284 13 K C -2.255 174.338 176.600 -0.013 0.000 1.044 13 K CA -1.591 54.682 56.287 -0.024 0.000 0.974 13 K CB 0.430 32.923 32.500 -0.013 0.000 0.962 13 K HN 0.217 nan 8.250 nan 0.000 0.474 14 P HA -0.165 nan 4.420 nan 0.000 0.261 14 P C 0.518 177.823 177.300 0.008 0.000 1.158 14 P CA 1.150 64.249 63.100 -0.000 0.000 0.758 14 P CB 0.301 31.999 31.700 -0.004 0.000 0.763 15 G N 1.832 110.642 108.800 0.017 0.000 2.155 15 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.257 15 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.257 15 G C 0.036 174.952 174.900 0.027 0.000 0.983 15 G CA 0.018 45.132 45.100 0.023 0.000 0.676 15 G HN 0.476 nan 8.290 nan 0.000 0.528 16 M N -0.231 119.382 119.600 0.021 0.000 2.602 16 M HA 0.559 5.038 4.480 -0.001 0.000 0.312 16 M C -0.740 175.572 176.300 0.019 0.000 1.181 16 M CA -0.857 54.456 55.300 0.022 0.000 0.910 16 M CB 1.959 34.565 32.600 0.009 0.000 1.723 16 M HN 0.096 nan 8.290 nan 0.000 0.459 17 D N 0.338 120.764 120.400 0.042 0.000 2.374 17 D HA 0.569 5.209 4.640 -0.001 0.000 0.239 17 D C -0.078 176.224 176.300 0.003 0.000 0.991 17 D CA -0.027 54.019 54.000 0.077 0.000 0.960 17 D CB 1.788 42.703 40.800 0.193 0.000 1.284 17 D HN 0.696 nan 8.370 nan 0.000 0.512 18 G N 0.864 109.602 108.800 -0.103 0.000 2.771 18 G HA2 0.245 4.205 3.960 -0.001 0.000 0.242 18 G HA3 0.245 4.205 3.960 -0.001 0.000 0.242 18 G C -2.185 172.749 174.900 0.057 0.000 1.233 18 G CA -0.650 44.245 45.100 -0.341 0.000 0.858 18 G HN 0.433 nan 8.290 nan 0.000 0.591 19 P HA 0.286 nan 4.420 nan 0.000 0.276 19 P C -0.971 176.525 177.300 0.325 0.000 1.244 19 P CA -0.261 62.958 63.100 0.200 0.000 0.801 19 P CB 1.039 32.847 31.700 0.180 0.000 1.006 20 K N 0.874 121.418 120.400 0.241 0.000 3.050 20 K HA 0.319 4.639 4.320 -0.001 0.000 0.185 20 K C -0.741 175.949 176.600 0.151 0.000 1.147 20 K CA -0.612 55.798 56.287 0.204 0.000 0.916 20 K CB 1.401 33.999 32.500 0.163 0.000 1.119 20 K HN 0.229 nan 8.250 nan 0.000 0.605 21 V N 1.164 121.175 119.914 0.161 0.000 2.481 21 V HA 0.366 4.485 4.120 -0.001 0.000 0.286 21 V C -0.183 176.003 176.094 0.153 0.000 1.042 21 V CA -0.541 61.850 62.300 0.150 0.000 0.928 21 V CB 1.169 33.091 31.823 0.164 0.000 0.986 21 V HN 0.609 nan 8.190 nan 0.000 0.462 22 K N 4.772 125.256 120.400 0.140 0.000 2.326 22 K HA 0.316 4.635 4.320 -0.001 0.000 0.275 22 K C -0.186 176.553 176.600 0.232 0.000 1.018 22 K CA -0.054 56.316 56.287 0.138 0.000 0.962 22 K CB 0.920 33.468 32.500 0.080 0.000 0.953 22 K HN 0.832 nan 8.250 nan 0.000 0.475 23 Q N 3.857 123.788 119.800 0.218 0.000 2.279 23 Q HA 0.206 4.546 4.340 -0.001 0.000 0.256 23 Q C -1.363 174.856 176.000 0.364 0.000 0.937 23 Q CA -0.421 55.555 55.803 0.288 0.000 0.933 23 Q CB 0.545 29.397 28.738 0.189 0.000 1.189 23 Q HN 0.539 nan 8.270 nan 0.000 0.417 24 W N 5.143 126.466 121.300 0.037 0.000 2.158 24 W HA 0.320 4.980 4.660 -0.000 0.000 0.339 24 W C -2.103 174.446 176.519 0.050 0.000 1.294 24 W CA -2.230 55.133 57.345 0.030 0.000 1.231 24 W CB -0.607 28.858 29.460 0.009 0.000 1.143 24 W HN 0.577 nan 8.180 nan 0.000 0.571 25 P HA 0.183 nan 4.420 nan 0.000 0.285 25 P C -0.590 176.824 177.300 0.189 0.000 1.259 25 P CA -0.282 62.925 63.100 0.178 0.000 0.794 25 P CB 0.792 32.562 31.700 0.117 0.000 0.940 26 L N 1.688 123.000 121.223 0.148 0.000 2.358 26 L HA 0.502 4.842 4.340 -0.001 0.000 0.268 26 L C 1.203 178.123 176.870 0.084 0.000 1.032 26 L CA -0.556 54.369 54.840 0.141 0.000 0.805 26 L CB -0.061 42.070 42.059 0.120 0.000 1.253 26 L HN 0.374 nan 8.230 nan 0.000 0.452 27 T N -2.708 111.893 114.554 0.078 0.000 2.802 27 T HA 0.114 4.464 4.350 -0.001 0.000 0.305 27 T C 1.059 175.753 174.700 -0.009 0.000 1.053 27 T CA -0.357 61.770 62.100 0.046 0.000 1.058 27 T CB 0.781 69.689 68.868 0.067 0.000 0.988 27 T HN 0.569 nan 8.240 nan 0.000 0.539 28 E N 0.720 120.913 120.200 -0.011 0.000 2.077 28 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 28 E C 2.177 178.716 176.600 -0.101 0.000 0.989 28 E CA 1.664 58.039 56.400 -0.041 0.000 0.800 28 E CB -0.112 29.576 29.700 -0.020 0.000 0.746 28 E HN 0.930 nan 8.360 nan 0.000 0.452 29 E N 1.076 121.218 120.200 -0.097 0.000 2.153 29 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 29 E C 1.689 177.966 176.600 -0.538 0.000 0.988 29 E CA 1.194 57.480 56.400 -0.190 0.000 0.811 29 E CB -0.135 29.567 29.700 0.003 0.000 0.746 29 E HN 0.145 nan 8.360 nan 0.000 0.466 30 K N 0.828 120.957 120.400 -0.452 0.000 2.044 30 K HA 0.064 4.384 4.320 -0.001 0.000 0.204 30 K C 2.261 178.626 176.600 -0.391 0.000 1.049 30 K CA 1.135 57.068 56.287 -0.590 0.000 0.945 30 K CB -0.116 32.212 32.500 -0.286 0.000 0.724 30 K HN 0.119 nan 8.250 nan 0.000 0.440 31 I N 1.770 122.213 120.570 -0.212 0.000 2.335 31 I HA -0.286 3.883 4.170 -0.001 0.000 0.251 31 I C 2.552 178.573 176.117 -0.161 0.000 1.129 31 I CA 1.249 62.472 61.300 -0.127 0.000 1.402 31 I CB -0.347 37.617 38.000 -0.061 0.000 1.069 31 I HN 0.205 nan 8.210 nan 0.000 0.424 32 K N 1.567 121.833 120.400 -0.224 0.000 1.984 32 K HA -0.160 4.160 4.320 -0.001 0.000 0.209 32 K C 2.331 178.769 176.600 -0.269 0.000 1.046 32 K CA 1.555 57.716 56.287 -0.210 0.000 0.934 32 K CB -0.190 32.186 32.500 -0.207 0.000 0.717 32 K HN 0.226 nan 8.250 nan 0.000 0.438 33 A N 1.406 123.925 122.820 -0.502 0.000 1.884 33 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 33 A C 2.187 179.620 177.584 -0.252 0.000 1.197 33 A CA 1.976 53.696 52.037 -0.529 0.000 0.637 33 A CB -1.025 17.302 19.000 -1.121 0.000 0.827 33 A HN 0.378 nan 8.150 nan 0.000 0.450 34 L N -0.495 120.594 121.223 -0.223 0.000 2.127 34 L HA -0.184 4.156 4.340 -0.001 0.000 0.211 34 L C 2.442 179.299 176.870 -0.021 0.000 1.089 34 L CA 1.099 55.890 54.840 -0.083 0.000 0.757 34 L CB -0.521 41.517 42.059 -0.036 0.000 0.899 34 L HN 0.277 nan 8.230 nan 0.000 0.434 35 V N -0.641 119.252 119.914 -0.035 0.000 2.515 35 V HA -0.240 3.880 4.120 -0.001 0.000 0.250 35 V C 2.337 178.429 176.094 -0.003 0.000 1.058 35 V CA 1.595 63.903 62.300 0.012 0.000 1.064 35 V CB -0.322 31.498 31.823 -0.006 0.000 0.675 35 V HN 0.408 nan 8.190 nan 0.000 0.461 36 E N 0.093 120.268 120.200 -0.041 0.000 2.028 36 E HA -0.107 4.243 4.350 -0.001 0.000 0.190 36 E C 2.188 178.776 176.600 -0.020 0.000 0.984 36 E CA 1.157 57.540 56.400 -0.028 0.000 0.800 36 E CB -0.119 29.558 29.700 -0.038 0.000 0.758 36 E HN 0.523 nan 8.360 nan 0.000 0.448 37 I N 0.330 120.884 120.570 -0.027 0.000 2.163 37 I HA -0.364 3.806 4.170 -0.001 0.000 0.243 37 I C 2.343 178.424 176.117 -0.060 0.000 1.085 37 I CA 0.785 62.072 61.300 -0.022 0.000 1.347 37 I CB -0.291 37.702 38.000 -0.011 0.000 1.044 37 I HN 0.326 nan 8.210 nan 0.000 0.408 38 C N 0.562 119.813 119.300 -0.083 0.000 2.429 38 C HA -0.168 4.291 4.460 -0.001 0.000 0.277 38 C C 3.194 178.062 174.990 -0.203 0.000 1.262 38 C CA 1.725 60.605 59.018 -0.230 0.000 1.733 38 C CB -1.320 26.265 27.740 -0.258 0.000 2.010 38 C HN 0.649 nan 8.230 nan 0.000 0.483 39 T N -0.630 113.900 114.554 -0.040 0.000 2.746 39 T HA -0.195 4.155 4.350 -0.001 0.000 0.267 39 T C 1.554 176.235 174.700 -0.032 0.000 1.039 39 T CA 1.891 63.994 62.100 0.006 0.000 1.142 39 T CB -0.355 68.533 68.868 0.032 0.000 0.866 39 T HN 0.378 nan 8.240 nan 0.000 0.444 40 E N 1.346 121.524 120.200 -0.036 0.000 2.038 40 E HA -0.051 4.298 4.350 -0.001 0.000 0.195 40 E C 2.307 178.875 176.600 -0.053 0.000 1.000 40 E CA 1.423 57.805 56.400 -0.029 0.000 0.803 40 E CB -0.590 29.103 29.700 -0.012 0.000 0.750 40 E HN 0.626 nan 8.360 nan 0.000 0.448 41 M N -0.090 119.452 119.600 -0.097 0.000 2.082 41 M HA -0.227 4.252 4.480 -0.001 0.000 0.258 41 M C 2.379 178.583 176.300 -0.159 0.000 1.069 41 M CA 2.092 57.301 55.300 -0.150 0.000 1.102 41 M CB -0.698 31.754 32.600 -0.246 0.000 1.336 41 M HN 0.157 nan 8.290 nan 0.000 0.404 42 E N 1.089 121.190 120.200 -0.166 0.000 2.085 42 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 42 E C 1.970 178.545 176.600 -0.043 0.000 0.994 42 E CA 1.331 57.676 56.400 -0.093 0.000 0.801 42 E CB 0.016 29.717 29.700 0.001 0.000 0.743 42 E HN 0.379 nan 8.360 nan 0.000 0.453 43 K N 0.298 120.679 120.400 -0.032 0.000 2.009 43 K HA -0.197 4.123 4.320 -0.001 0.000 0.210 43 K C 1.969 178.559 176.600 -0.017 0.000 1.049 43 K CA 1.936 58.214 56.287 -0.015 0.000 0.929 43 K CB -0.162 32.332 32.500 -0.010 0.000 0.714 43 K HN 0.270 nan 8.250 nan 0.000 0.440 44 E N -0.746 119.440 120.200 -0.024 0.000 2.516 44 E HA -0.028 4.322 4.350 -0.001 0.000 0.199 44 E C 0.933 177.521 176.600 -0.020 0.000 1.069 44 E CA 0.438 56.830 56.400 -0.013 0.000 0.876 44 E CB 0.082 29.781 29.700 -0.002 0.000 0.843 44 E HN 0.553 nan 8.360 nan 0.000 0.530 45 G N 1.257 110.035 108.800 -0.037 0.000 2.179 45 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.260 45 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.260 45 G C 0.965 175.825 174.900 -0.067 0.000 0.977 45 G CA 0.691 45.769 45.100 -0.035 0.000 0.641 45 G HN 0.308 nan 8.290 nan 0.000 0.533 46 K N -0.102 120.225 120.400 -0.121 0.000 2.063 46 K HA 0.081 4.401 4.320 -0.001 0.000 0.208 46 K C 1.374 177.804 176.600 -0.284 0.000 1.048 46 K CA 1.622 57.774 56.287 -0.225 0.000 0.928 46 K CB -0.109 32.175 32.500 -0.359 0.000 0.713 46 K HN 0.816 nan 8.250 nan 0.000 0.442 47 I N -3.276 117.122 120.570 -0.287 0.000 2.934 47 I HA 0.360 4.529 4.170 -0.001 0.000 0.306 47 I C -0.831 175.222 176.117 -0.107 0.000 1.110 47 I CA -0.971 60.152 61.300 -0.294 0.000 1.019 47 I CB 2.543 40.240 38.000 -0.505 0.000 1.227 47 I HN -0.331 nan 8.210 nan 0.000 0.434 48 S N 1.976 117.671 115.700 -0.008 0.000 2.526 48 S HA 0.448 4.917 4.470 -0.001 0.000 0.293 48 S C -0.641 174.032 174.600 0.121 0.000 1.092 48 S CA -0.808 57.429 58.200 0.061 0.000 0.980 48 S CB 1.712 64.918 63.200 0.009 0.000 1.048 48 S HN 0.529 nan 8.310 nan 0.000 0.483 49 K N 2.513 122.947 120.400 0.057 0.000 2.350 49 K HA 0.426 4.746 4.320 -0.001 0.000 0.279 49 K C -0.203 176.300 176.600 -0.160 0.000 1.027 49 K CA -0.002 56.175 56.287 -0.183 0.000 0.969 49 K CB 0.230 32.602 32.500 -0.213 0.000 0.954 49 K HN 0.627 nan 8.250 nan 0.000 0.474 50 I N -1.041 119.396 120.570 -0.221 0.000 3.264 50 I HA 0.627 4.796 4.170 -0.001 0.000 0.315 50 I C 0.191 176.210 176.117 -0.165 0.000 1.154 50 I CA -1.132 60.077 61.300 -0.153 0.000 0.962 50 I CB 1.792 39.722 38.000 -0.116 0.000 1.265 50 I HN 0.562 nan 8.210 nan 0.000 0.463 51 G N 0.385 109.112 108.800 -0.122 0.000 2.543 51 G HA2 0.608 4.567 3.960 -0.001 0.000 0.267 51 G HA3 0.608 4.567 3.960 -0.001 0.000 0.267 51 G C -2.396 172.441 174.900 -0.106 0.000 1.406 51 G CA -1.121 43.912 45.100 -0.111 0.000 1.048 51 G HN 0.560 nan 8.290 nan 0.000 0.548 52 P HA 0.157 nan 4.420 nan 0.000 0.268 52 P C 1.025 178.275 177.300 -0.082 0.000 1.329 52 P CA 0.107 63.158 63.100 -0.081 0.000 0.899 52 P CB 0.770 32.429 31.700 -0.069 0.000 1.378 53 E N -0.845 119.305 120.200 -0.084 0.000 2.371 53 E HA -0.046 4.304 4.350 -0.001 0.000 0.194 53 E C 0.376 176.908 176.600 -0.114 0.000 1.012 53 E CA 0.476 56.824 56.400 -0.087 0.000 0.860 53 E CB -0.778 28.879 29.700 -0.072 0.000 0.811 53 E HN 0.114 nan 8.360 nan 0.000 0.502 54 N N 2.906 121.538 118.700 -0.114 0.000 2.415 54 N HA 0.058 4.798 4.740 -0.001 0.000 0.246 54 N C -1.653 173.748 175.510 -0.182 0.000 1.078 54 N CA -1.727 51.240 53.050 -0.138 0.000 0.942 54 N CB 1.417 39.860 38.487 -0.074 0.000 1.140 54 N HN -0.123 nan 8.380 nan 0.000 0.501 55 P HA -0.032 nan 4.420 nan 0.000 0.233 55 P C -0.266 176.828 177.300 -0.344 0.000 1.167 55 P CA 0.767 63.636 63.100 -0.385 0.000 0.770 55 P CB 0.095 31.462 31.700 -0.556 0.000 0.837 56 Y N 0.319 120.628 120.300 0.016 0.000 2.334 56 Y HA 0.520 5.069 4.550 -0.001 0.000 0.325 56 Y C 1.225 177.166 175.900 0.068 0.000 1.308 56 Y CA -0.681 57.454 58.100 0.057 0.000 1.389 56 Y CB 0.379 38.877 38.460 0.063 0.000 1.328 56 Y HN -0.096 nan 8.280 nan 0.000 0.532 57 N N -0.949 117.931 118.700 0.301 0.000 3.217 57 N HA 0.138 4.877 4.740 -0.001 0.000 0.236 57 N C -2.021 173.625 175.510 0.226 0.000 1.136 57 N CA -0.237 52.949 53.050 0.227 0.000 0.997 57 N CB 1.603 40.187 38.487 0.161 0.000 1.658 57 N HN 0.640 nan 8.380 nan 0.000 0.527 58 T N 2.519 117.208 114.554 0.224 0.000 2.893 58 T HA 0.602 4.951 4.350 -0.001 0.000 0.291 58 T C -2.704 172.059 174.700 0.104 0.000 1.028 58 T CA -1.010 61.180 62.100 0.149 0.000 0.995 58 T CB 2.236 71.161 68.868 0.094 0.000 1.051 58 T HN 0.321 nan 8.240 nan 0.000 0.470 59 P HA 0.448 nan 4.420 nan 0.000 0.278 59 P C -1.014 176.235 177.300 -0.085 0.000 1.238 59 P CA -0.415 62.691 63.100 0.010 0.000 0.794 59 P CB 0.836 32.516 31.700 -0.034 0.000 0.955 60 V N 3.017 122.914 119.914 -0.028 0.000 2.769 60 V HA 0.614 4.734 4.120 -0.001 0.000 0.312 60 V C -0.304 175.816 176.094 0.044 0.000 1.058 60 V CA -0.392 61.880 62.300 -0.046 0.000 0.952 60 V CB 1.554 33.399 31.823 0.036 0.000 1.019 60 V HN 0.527 nan 8.190 nan 0.000 0.445 61 F N 1.004 120.852 119.950 -0.169 0.000 2.686 61 F HA 0.834 5.361 4.527 -0.001 0.000 0.311 61 F C -0.803 174.963 175.800 -0.056 0.000 1.128 61 F CA -0.826 57.088 58.000 -0.142 0.000 0.946 61 F CB 1.831 40.704 39.000 -0.212 0.000 1.336 61 F HN 0.655 nan 8.300 nan 0.000 0.457 62 A N 4.354 126.663 122.820 -0.851 0.000 2.375 62 A HA 0.735 5.054 4.320 -0.001 0.000 0.295 62 A C -1.281 175.999 177.584 -0.508 0.000 1.066 62 A CA -0.490 51.278 52.037 -0.448 0.000 0.722 62 A CB 0.813 19.685 19.000 -0.214 0.000 1.206 62 A HN 0.951 nan 8.150 nan 0.000 0.435 63 I N -0.772 119.675 120.570 -0.205 0.000 2.822 63 I HA 0.720 4.889 4.170 -0.001 0.000 0.312 63 I C 0.191 176.172 176.117 -0.226 0.000 1.011 63 I CA -0.950 60.242 61.300 -0.180 0.000 1.105 63 I CB 1.206 39.141 38.000 -0.109 0.000 1.291 63 I HN 0.386 nan 8.210 nan 0.000 0.474 64 K N 1.752 121.862 120.400 -0.484 0.000 2.894 64 K HA 0.453 4.773 4.320 -0.001 0.000 0.325 64 K C -0.674 175.669 176.600 -0.429 0.000 0.984 64 K CA -0.369 55.439 56.287 -0.799 0.000 1.266 64 K CB 0.230 32.227 32.500 -0.838 0.000 1.423 64 K HN 0.481 nan 8.250 nan 0.000 0.614 65 K N 1.633 121.803 120.400 -0.384 0.000 2.535 65 K HA 0.189 4.508 4.320 -0.001 0.000 0.253 65 K C -0.951 175.546 176.600 -0.171 0.000 0.953 65 K CA -0.410 55.740 56.287 -0.228 0.000 0.863 65 K CB 1.199 33.577 32.500 -0.204 0.000 1.111 65 K HN 0.140 nan 8.250 nan 0.000 0.431 66 K N 3.271 123.596 120.400 -0.125 0.000 2.402 66 K HA -0.060 4.259 4.320 -0.001 0.000 0.279 66 K C -0.166 176.384 176.600 -0.083 0.000 1.082 66 K CA 1.161 57.392 56.287 -0.093 0.000 1.080 66 K CB 0.156 32.614 32.500 -0.070 0.000 0.899 66 K HN 0.769 nan 8.250 nan 0.000 0.469 67 D N 0.899 121.250 120.400 -0.080 0.000 3.562 67 D HA -0.213 4.427 4.640 -0.001 0.000 0.214 67 D C 0.253 176.507 176.300 -0.076 0.000 1.107 67 D CA 1.671 55.631 54.000 -0.067 0.000 2.251 67 D CB -0.897 39.871 40.800 -0.053 0.000 1.226 67 D HN 0.568 nan 8.370 nan 0.000 0.493 68 S N -1.158 114.490 115.700 -0.086 0.000 2.633 68 S HA 0.412 4.882 4.470 -0.001 0.000 0.257 68 S C 0.525 175.047 174.600 -0.129 0.000 1.265 68 S CA 1.228 59.374 58.200 -0.089 0.000 0.980 68 S CB 1.060 64.213 63.200 -0.078 0.000 1.017 68 S HN 0.270 nan 8.310 nan 0.000 0.577 69 T N 1.248 115.731 114.554 -0.120 0.000 3.448 69 T HA 0.281 4.631 4.350 -0.001 0.000 0.271 69 T C -0.379 174.231 174.700 -0.151 0.000 1.002 69 T CA -0.515 61.492 62.100 -0.156 0.000 0.995 69 T CB -0.130 68.688 68.868 -0.085 0.000 1.153 69 T HN 0.627 nan 8.240 nan 0.000 0.510 70 K N 0.203 120.498 120.400 -0.175 0.000 2.185 70 K HA 0.666 4.986 4.320 -0.001 0.000 0.240 70 K C -1.575 174.908 176.600 -0.195 0.000 0.983 70 K CA -0.821 55.417 56.287 -0.083 0.000 0.873 70 K CB 1.512 33.996 32.500 -0.027 0.000 1.118 70 K HN 0.089 nan 8.250 nan 0.000 0.441 71 W N 2.088 123.359 121.300 -0.048 0.000 2.632 71 W HA 0.475 5.134 4.660 -0.001 0.000 0.328 71 W C -0.404 176.074 176.519 -0.069 0.000 1.044 71 W CA -0.725 56.577 57.345 -0.071 0.000 1.225 71 W CB 1.642 31.055 29.460 -0.077 0.000 1.396 71 W HN 0.390 nan 8.180 nan 0.000 0.499 72 R N 2.570 123.158 120.500 0.146 0.000 2.514 72 R HA 0.487 4.826 4.340 -0.001 0.000 0.301 72 R C -0.769 175.562 176.300 0.051 0.000 0.962 72 R CA -1.225 54.917 56.100 0.069 0.000 0.882 72 R CB 1.823 32.130 30.300 0.012 0.000 1.143 72 R HN 0.508 nan 8.270 nan 0.000 0.452 73 K N 4.036 124.454 120.400 0.031 0.000 2.211 73 K HA 0.358 4.677 4.320 -0.001 0.000 0.275 73 K C -0.956 175.634 176.600 -0.018 0.000 1.024 73 K CA -0.521 55.756 56.287 -0.017 0.000 0.887 73 K CB 0.740 33.218 32.500 -0.036 0.000 1.084 73 K HN 0.575 nan 8.250 nan 0.000 0.463 74 L N 4.150 125.358 121.223 -0.025 0.000 2.305 74 L HA 0.462 4.802 4.340 -0.001 0.000 0.284 74 L C -0.809 176.007 176.870 -0.090 0.000 1.013 74 L CA -1.376 53.459 54.840 -0.007 0.000 0.819 74 L CB 1.706 43.809 42.059 0.073 0.000 1.227 74 L HN 0.303 nan 8.230 nan 0.000 0.417 75 V N 0.980 120.782 119.914 -0.187 0.000 2.347 75 V HA 0.171 4.291 4.120 -0.001 0.000 0.280 75 V C -0.292 175.539 176.094 -0.438 0.000 1.021 75 V CA -0.373 61.659 62.300 -0.446 0.000 0.847 75 V CB 1.569 32.935 31.823 -0.761 0.000 0.990 75 V HN 0.665 nan 8.190 nan 0.000 0.444 76 D N 3.800 123.996 120.400 -0.341 0.000 2.435 76 D HA 0.238 4.878 4.640 -0.001 0.000 0.230 76 D C 0.256 176.473 176.300 -0.138 0.000 1.215 76 D CA -0.216 53.680 54.000 -0.173 0.000 0.947 76 D CB 0.214 40.943 40.800 -0.118 0.000 1.048 76 D HN 0.387 nan 8.370 nan 0.000 0.512 77 F N 2.238 122.237 119.950 0.083 0.000 2.676 77 F HA 0.222 4.749 4.527 -0.001 0.000 0.300 77 F C 2.038 177.921 175.800 0.137 0.000 1.160 77 F CA -0.161 57.917 58.000 0.130 0.000 1.401 77 F CB -0.087 39.022 39.000 0.180 0.000 1.037 77 F HN 0.279 nan 8.300 nan 0.000 0.522 78 R N 0.152 120.791 120.500 0.232 0.000 2.097 78 R HA -0.235 4.105 4.340 -0.001 0.000 0.236 78 R C 1.961 178.369 176.300 0.180 0.000 1.135 78 R CA 1.933 58.138 56.100 0.175 0.000 0.934 78 R CB -0.349 30.021 30.300 0.118 0.000 0.846 78 R HN 0.174 nan 8.270 nan 0.000 0.431 79 E N 0.588 120.896 120.200 0.178 0.000 2.204 79 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 79 E C 1.715 178.426 176.600 0.186 0.000 0.989 79 E CA 0.568 57.066 56.400 0.162 0.000 0.824 79 E CB -0.029 29.761 29.700 0.149 0.000 0.756 79 E HN 0.124 nan 8.360 nan 0.000 0.477 80 L N 0.393 121.775 121.223 0.264 0.000 2.131 80 L HA -0.021 4.318 4.340 -0.001 0.000 0.206 80 L C 1.403 178.465 176.870 0.320 0.000 1.087 80 L CA 1.493 56.503 54.840 0.283 0.000 0.767 80 L CB -0.418 41.866 42.059 0.375 0.000 0.917 80 L HN 0.050 nan 8.230 nan 0.000 0.441 81 N N 0.567 119.458 118.700 0.318 0.000 2.188 81 N HA -0.222 4.518 4.740 -0.001 0.000 0.184 81 N C 1.709 177.304 175.510 0.142 0.000 1.018 81 N CA 1.526 54.711 53.050 0.226 0.000 0.858 81 N CB -0.290 38.296 38.487 0.166 0.000 0.989 81 N HN 0.515 nan 8.380 nan 0.000 0.426 82 K N 0.945 121.424 120.400 0.132 0.000 2.439 82 K HA 0.050 4.370 4.320 -0.001 0.000 0.197 82 K C 1.399 178.045 176.600 0.077 0.000 1.041 82 K CA 0.837 57.177 56.287 0.088 0.000 0.970 82 K CB 0.218 32.769 32.500 0.084 0.000 0.773 82 K HN 0.025 nan 8.250 nan 0.000 0.479 83 R N -0.118 120.442 120.500 0.099 0.000 2.335 83 R HA 0.133 4.473 4.340 -0.001 0.000 0.210 83 R C -0.190 176.158 176.300 0.080 0.000 0.892 83 R CA 0.034 56.172 56.100 0.064 0.000 1.048 83 R CB 0.857 31.175 30.300 0.031 0.000 1.067 83 R HN 0.021 nan 8.270 nan 0.000 0.524 84 T N 2.422 117.071 114.554 0.157 0.000 2.897 84 T HA 0.055 4.404 4.350 -0.001 0.000 0.294 84 T C 0.046 174.754 174.700 0.014 0.000 1.004 84 T CA -0.421 61.792 62.100 0.188 0.000 1.106 84 T CB 1.248 70.346 68.868 0.383 0.000 0.949 84 T HN 0.220 nan 8.240 nan 0.000 0.520 85 Q N 2.391 122.124 119.800 -0.112 0.000 2.479 85 Q HA 0.105 4.444 4.340 -0.001 0.000 0.267 85 Q C -0.730 175.068 176.000 -0.337 0.000 1.071 85 Q CA -0.260 55.395 55.803 -0.247 0.000 0.935 85 Q CB 0.422 28.934 28.738 -0.376 0.000 1.295 85 Q HN 0.424 nan 8.270 nan 0.000 0.476 86 D N 0.987 121.238 120.400 -0.250 0.000 2.304 86 D HA 0.256 4.895 4.640 -0.001 0.000 0.247 86 D C -0.714 175.410 176.300 -0.293 0.000 1.089 86 D CA 0.094 54.000 54.000 -0.157 0.000 0.910 86 D CB 0.497 41.262 40.800 -0.059 0.000 1.199 86 D HN 0.365 nan 8.370 nan 0.000 0.426 87 F N 0.036 119.932 119.950 -0.090 0.000 2.518 87 F HA 0.306 4.832 4.527 -0.001 0.000 0.338 87 F C 0.677 176.509 175.800 0.053 0.000 1.065 87 F CA -1.129 56.841 58.000 -0.050 0.000 1.012 87 F CB 0.961 39.874 39.000 -0.145 0.000 1.297 87 F HN 0.265 nan 8.300 nan 0.000 0.489 88 W N 1.962 123.331 121.300 0.116 0.000 2.170 88 W HA 0.110 4.769 4.660 -0.001 0.000 0.336 88 W C -0.214 176.324 176.519 0.032 0.000 1.283 88 W CA -0.720 56.650 57.345 0.042 0.000 1.224 88 W CB 0.742 30.215 29.460 0.022 0.000 1.132 88 W HN 0.370 nan 8.180 nan 0.000 0.571 89 E N 3.831 123.187 120.200 -1.408 0.000 2.383 89 E HA -0.049 4.301 4.350 -0.001 0.000 0.257 89 E C 1.117 177.199 176.600 -0.863 0.000 1.079 89 E CA 0.141 55.882 56.400 -1.097 0.000 0.934 89 E CB 0.875 29.867 29.700 -1.180 0.000 0.978 89 E HN 0.379 nan 8.360 nan 0.000 0.462 90 V N 3.227 122.896 119.914 -0.410 0.000 2.309 90 V HA -0.287 3.833 4.120 -0.001 0.000 0.223 90 V C 1.086 177.082 176.094 -0.162 0.000 0.953 90 V CA 1.836 64.007 62.300 -0.216 0.000 1.012 90 V CB -0.350 31.382 31.823 -0.152 0.000 0.669 90 V HN 0.616 nan 8.190 nan 0.000 0.504 91 Q N -0.222 119.517 119.800 -0.102 0.000 2.293 91 Q HA 0.381 4.721 4.340 -0.001 0.000 0.261 91 Q C -0.560 175.413 176.000 -0.045 0.000 0.960 91 Q CA -0.175 55.614 55.803 -0.024 0.000 0.882 91 Q CB 1.327 30.100 28.738 0.058 0.000 1.275 91 Q HN 0.393 nan 8.270 nan 0.000 0.445 92 L N 3.167 124.376 121.223 -0.023 0.000 2.928 92 L HA 0.588 4.927 4.340 -0.001 0.000 0.236 92 L C 0.335 177.225 176.870 0.033 0.000 1.290 92 L CA 0.258 55.084 54.840 -0.024 0.000 1.099 92 L CB -0.906 41.143 42.059 -0.016 0.000 1.437 92 L HN 0.754 nan 8.230 nan 0.000 0.493 93 G N 0.958 109.798 108.800 0.066 0.000 2.340 93 G HA2 0.353 4.313 3.960 -0.001 0.000 0.300 93 G HA3 0.353 4.313 3.960 -0.001 0.000 0.300 93 G C -1.546 173.448 174.900 0.157 0.000 1.488 93 G CA -0.693 44.465 45.100 0.097 0.000 0.878 93 G HN 0.095 nan 8.290 nan 0.000 0.618 94 I N -1.345 119.333 120.570 0.181 0.000 2.545 94 I HA 0.755 4.925 4.170 -0.001 0.000 0.292 94 I C -2.478 173.770 176.117 0.219 0.000 1.040 94 I CA -2.579 58.874 61.300 0.255 0.000 1.068 94 I CB 2.086 40.263 38.000 0.294 0.000 1.251 94 I HN 0.285 nan 8.210 nan 0.000 0.424 95 P HA 0.025 nan 4.420 nan 0.000 0.262 95 P C -0.996 176.341 177.300 0.062 0.000 1.182 95 P CA 0.421 63.595 63.100 0.124 0.000 0.761 95 P CB 0.146 31.910 31.700 0.106 0.000 0.795 96 H N 4.943 123.926 119.070 -0.144 0.000 2.488 96 H HA 0.163 4.718 4.556 -0.001 0.000 0.322 96 H C -1.663 173.384 175.328 -0.468 0.000 1.078 96 H CA -2.196 53.661 56.048 -0.319 0.000 1.260 96 H CB 1.412 30.973 29.762 -0.336 0.000 1.425 96 H HN 0.220 nan 8.280 nan 0.000 0.471 97 P HA -0.245 nan 4.420 nan 0.000 0.219 97 P C 1.107 178.141 177.300 -0.443 0.000 1.161 97 P CA 2.468 65.054 63.100 -0.857 0.000 0.909 97 P CB -0.035 30.573 31.700 -1.821 0.000 0.793 98 A N -1.007 121.599 122.820 -0.357 0.000 2.234 98 A HA -0.022 4.298 4.320 -0.001 0.000 0.216 98 A C 2.175 179.988 177.584 0.382 0.000 1.167 98 A CA 1.745 53.947 52.037 0.275 0.000 0.698 98 A CB -1.523 17.775 19.000 0.497 0.000 0.779 98 A HN 0.366 nan 8.150 nan 0.000 0.475 99 G N -1.292 107.542 108.800 0.056 0.000 3.126 99 G HA2 0.405 4.364 3.960 -0.001 0.000 0.224 99 G HA3 0.405 4.364 3.960 -0.001 0.000 0.224 99 G C 0.333 175.333 174.900 0.166 0.000 1.142 99 G CA -0.349 44.715 45.100 -0.060 0.000 0.759 99 G HN 0.361 nan 8.290 nan 0.000 0.550 100 L N 1.366 122.692 121.223 0.171 0.000 2.331 100 L HA 0.335 4.674 4.340 -0.001 0.000 0.278 100 L C 0.054 177.015 176.870 0.152 0.000 1.106 100 L CA -0.459 54.426 54.840 0.075 0.000 0.824 100 L CB 1.317 43.247 42.059 -0.215 0.000 1.142 100 L HN -0.002 nan 8.230 nan 0.000 0.443 101 K N 2.797 123.271 120.400 0.123 0.000 2.174 101 K HA 0.248 4.568 4.320 -0.001 0.000 0.275 101 K C -0.367 176.195 176.600 -0.063 0.000 1.015 101 K CA -0.791 55.566 56.287 0.117 0.000 0.933 101 K CB 1.205 33.785 32.500 0.134 0.000 1.025 101 K HN 0.317 nan 8.250 nan 0.000 0.463 102 K N 2.294 122.691 120.400 -0.004 0.000 2.412 102 K HA 0.000 4.320 4.320 -0.001 0.000 0.281 102 K C -0.713 175.861 176.600 -0.044 0.000 1.027 102 K CA 0.311 56.569 56.287 -0.048 0.000 0.989 102 K CB 0.454 33.016 32.500 0.102 0.000 0.935 102 K HN 0.253 nan 8.250 nan 0.000 0.475 103 K N 2.950 123.303 120.400 -0.078 0.000 2.375 103 K HA 0.235 4.555 4.320 -0.001 0.000 0.249 103 K C 0.302 176.865 176.600 -0.061 0.000 0.942 103 K CA -0.724 55.529 56.287 -0.056 0.000 0.806 103 K CB 1.380 33.844 32.500 -0.060 0.000 1.227 103 K HN 0.395 nan 8.250 nan 0.000 0.430 104 K N 0.206 120.563 120.400 -0.071 0.000 1.987 104 K HA -0.055 4.265 4.320 -0.001 0.000 0.216 104 K C 0.053 176.573 176.600 -0.133 0.000 1.051 104 K CA 1.323 57.557 56.287 -0.089 0.000 0.942 104 K CB -0.113 32.328 32.500 -0.099 0.000 0.722 104 K HN 0.404 nan 8.250 nan 0.000 0.444 105 S N -0.230 115.308 115.700 -0.271 0.000 2.547 105 S HA 0.373 4.843 4.470 -0.001 0.000 0.281 105 S C -1.370 173.092 174.600 -0.231 0.000 1.118 105 S CA -0.870 57.146 58.200 -0.307 0.000 0.947 105 S CB 2.042 64.957 63.200 -0.477 0.000 1.053 105 S HN 0.159 nan 8.310 nan 0.000 0.482 106 V N 2.287 122.227 119.914 0.045 0.000 2.588 106 V HA 0.965 5.085 4.120 -0.001 0.000 0.304 106 V C -0.541 175.680 176.094 0.212 0.000 1.042 106 V CA -0.379 61.999 62.300 0.129 0.000 0.877 106 V CB 1.558 33.381 31.823 -0.000 0.000 0.996 106 V HN 0.916 nan 8.190 nan 0.000 0.425 107 T N 2.953 117.613 114.554 0.175 0.000 2.824 107 T HA 0.662 5.012 4.350 -0.001 0.000 0.282 107 T C -0.359 174.346 174.700 0.009 0.000 0.993 107 T CA -0.189 61.983 62.100 0.119 0.000 0.967 107 T CB 1.251 70.195 68.868 0.126 0.000 0.960 107 T HN 1.931 nan 8.240 nan 0.000 0.441 108 V N 5.146 125.028 119.914 -0.054 0.000 2.465 108 V HA 0.687 4.806 4.120 -0.001 0.000 0.279 108 V C -0.898 175.245 176.094 0.081 0.000 1.045 108 V CA -0.709 61.597 62.300 0.010 0.000 0.938 108 V CB 0.398 32.118 31.823 -0.172 0.000 0.986 108 V HN 0.931 nan 8.190 nan 0.000 0.467 109 L N 6.240 127.512 121.223 0.083 0.000 2.377 109 L HA 0.508 4.847 4.340 -0.001 0.000 0.270 109 L C -0.767 176.128 176.870 0.043 0.000 0.991 109 L CA -0.713 54.156 54.840 0.048 0.000 0.851 109 L CB 1.575 43.638 42.059 0.007 0.000 1.218 109 L HN 0.918 nan 8.230 nan 0.000 0.420 110 D N 2.382 122.822 120.400 0.067 0.000 2.249 110 D HA 0.354 4.994 4.640 -0.001 0.000 0.246 110 D C -0.210 176.113 176.300 0.038 0.000 1.114 110 D CA -0.539 53.494 54.000 0.056 0.000 0.854 110 D CB 1.664 42.506 40.800 0.070 0.000 1.132 110 D HN 0.051 nan 8.370 nan 0.000 0.461 111 V N 2.674 122.614 119.914 0.043 0.000 2.572 111 V HA 0.441 4.560 4.120 -0.001 0.000 0.291 111 V C 1.306 177.400 176.094 0.000 0.000 1.039 111 V CA -0.250 62.085 62.300 0.059 0.000 1.055 111 V CB 1.041 32.962 31.823 0.164 0.000 0.969 111 V HN 0.771 nan 8.190 nan 0.000 0.482 112 G N 2.080 110.884 108.800 0.007 0.000 2.372 112 G HA2 0.456 4.415 3.960 -0.001 0.000 0.283 112 G HA3 0.456 4.415 3.960 -0.001 0.000 0.283 112 G C -0.145 174.737 174.900 -0.029 0.000 1.177 112 G CA -0.250 44.835 45.100 -0.023 0.000 0.842 112 G HN 0.850 nan 8.290 nan 0.000 0.503 113 D N 0.224 120.569 120.400 -0.091 0.000 2.737 113 D HA -0.184 4.455 4.640 -0.001 0.000 0.238 113 D C 1.620 177.875 176.300 -0.075 0.000 1.157 113 D CA 0.987 54.925 54.000 -0.105 0.000 0.694 113 D CB -0.878 39.935 40.800 0.022 0.000 1.021 113 D HN 0.663 nan 8.370 nan 0.000 0.420 114 A N 0.044 122.730 122.820 -0.223 0.000 1.842 114 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 114 A C 1.960 179.560 177.584 0.026 0.000 1.206 114 A CA 1.895 53.783 52.037 -0.249 0.000 0.630 114 A CB -0.937 17.541 19.000 -0.869 0.000 0.839 114 A HN 0.648 nan 8.150 nan 0.000 0.447 115 Y N -2.022 118.146 120.300 -0.219 0.000 2.165 115 Y HA -0.227 4.323 4.550 -0.001 0.000 0.286 115 Y C 2.283 178.394 175.900 0.352 0.000 1.155 115 Y CA 0.618 58.743 58.100 0.040 0.000 1.164 115 Y CB -0.329 38.117 38.460 -0.023 0.000 0.978 115 Y HN 0.314 nan 8.280 nan 0.000 0.513 116 F N -0.569 119.507 119.950 0.211 0.000 2.604 116 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 116 F C 2.104 177.996 175.800 0.153 0.000 1.131 116 F CA 0.438 58.543 58.000 0.175 0.000 1.457 116 F CB -0.892 38.186 39.000 0.131 0.000 1.095 116 F HN -0.135 nan 8.300 nan 0.000 0.574 117 S N -0.619 115.288 115.700 0.345 0.000 2.605 117 S HA 0.155 4.625 4.470 -0.001 0.000 0.217 117 S C 0.394 175.147 174.600 0.256 0.000 0.958 117 S CA 0.038 58.393 58.200 0.258 0.000 0.919 117 S CB 0.090 63.427 63.200 0.227 0.000 0.780 117 S HN 0.044 nan 8.310 nan 0.000 0.507 118 V N 2.506 122.592 119.914 0.288 0.000 2.577 118 V HA 0.576 4.696 4.120 -0.001 0.000 0.303 118 V C -2.860 173.353 176.094 0.199 0.000 1.042 118 V CA -2.611 59.831 62.300 0.237 0.000 0.872 118 V CB 2.273 34.251 31.823 0.259 0.000 0.998 118 V HN -0.079 nan 8.190 nan 0.000 0.423 119 P HA 0.203 nan 4.420 nan 0.000 0.270 119 P C -1.043 176.328 177.300 0.118 0.000 1.227 119 P CA -0.120 63.054 63.100 0.124 0.000 0.788 119 P CB 1.010 32.774 31.700 0.108 0.000 0.926 120 L N 0.743 122.028 121.223 0.103 0.000 2.410 120 L HA 0.445 4.785 4.340 -0.001 0.000 0.270 120 L C -0.563 176.369 176.870 0.103 0.000 0.983 120 L CA -0.790 54.105 54.840 0.092 0.000 0.822 120 L CB 1.384 43.474 42.059 0.051 0.000 1.285 120 L HN 0.174 nan 8.230 nan 0.000 0.409 121 D N 2.908 123.380 120.400 0.119 0.000 3.061 121 D HA -0.149 4.491 4.640 -0.001 0.000 0.226 121 D C 1.142 177.530 176.300 0.146 0.000 1.168 121 D CA 0.962 55.043 54.000 0.136 0.000 0.822 121 D CB 0.708 41.602 40.800 0.157 0.000 1.152 121 D HN 0.772 nan 8.370 nan 0.000 0.555 122 E N 2.322 122.585 120.200 0.105 0.000 2.136 122 E HA -0.245 4.104 4.350 -0.001 0.000 0.202 122 E C 0.897 177.544 176.600 0.078 0.000 1.019 122 E CA 1.968 58.416 56.400 0.080 0.000 0.819 122 E CB 0.184 29.920 29.700 0.060 0.000 0.739 122 E HN 0.639 nan 8.360 nan 0.000 0.458 123 D N -1.096 119.371 120.400 0.111 0.000 2.349 123 D HA -0.081 4.559 4.640 -0.001 0.000 0.224 123 D C 1.076 177.467 176.300 0.153 0.000 1.029 123 D CA 0.292 54.353 54.000 0.102 0.000 0.879 123 D CB 0.101 40.972 40.800 0.118 0.000 0.906 123 D HN 0.212 nan 8.370 nan 0.000 0.528 124 F N 1.376 121.362 119.950 0.059 0.000 2.694 124 F HA 0.209 4.736 4.527 -0.001 0.000 0.292 124 F C 2.132 177.939 175.800 0.013 0.000 1.121 124 F CA -0.185 57.904 58.000 0.148 0.000 1.352 124 F CB 0.274 39.361 39.000 0.146 0.000 1.107 124 F HN -0.335 nan 8.300 nan 0.000 0.597 125 R N 1.131 121.652 120.500 0.034 0.000 2.154 125 R HA -0.254 4.085 4.340 -0.001 0.000 0.248 125 R C 2.268 178.492 176.300 -0.127 0.000 1.155 125 R CA 2.096 58.184 56.100 -0.020 0.000 0.979 125 R CB -0.481 29.833 30.300 0.023 0.000 0.869 125 R HN 0.387 nan 8.270 nan 0.000 0.452 126 K N -0.012 120.222 120.400 -0.277 0.000 2.103 126 K HA -0.204 4.116 4.320 -0.001 0.000 0.207 126 K C 1.294 177.682 176.600 -0.353 0.000 1.048 126 K CA 1.800 57.893 56.287 -0.323 0.000 0.930 126 K CB -0.368 31.887 32.500 -0.408 0.000 0.716 126 K HN 0.290 nan 8.250 nan 0.000 0.444 127 Y N 2.116 122.159 120.300 -0.429 0.000 2.571 127 Y HA -0.049 4.500 4.550 -0.001 0.000 0.294 127 Y C 2.178 177.956 175.900 -0.204 0.000 1.141 127 Y CA 1.006 58.777 58.100 -0.548 0.000 1.308 127 Y CB -0.185 37.704 38.460 -0.952 0.000 1.002 127 Y HN 0.295 nan 8.280 nan 0.000 0.551 128 T N -1.883 112.677 114.554 0.009 0.000 3.272 128 T HA 0.435 4.785 4.350 -0.001 0.000 0.250 128 T C 0.748 175.712 174.700 0.440 0.000 1.082 128 T CA -0.111 62.150 62.100 0.269 0.000 0.968 128 T CB -0.646 68.348 68.868 0.210 0.000 1.015 128 T HN 0.223 nan 8.240 nan 0.000 0.563 129 A N 1.759 124.745 122.820 0.277 0.000 2.511 129 A HA 0.561 4.881 4.320 -0.001 0.000 0.242 129 A C -0.054 177.725 177.584 0.325 0.000 1.069 129 A CA -0.562 51.608 52.037 0.222 0.000 0.763 129 A CB -0.416 18.659 19.000 0.124 0.000 1.001 129 A HN 0.764 nan 8.150 nan 0.000 0.498 130 F N -0.405 119.637 119.950 0.153 0.000 2.650 130 F HA 0.870 5.396 4.527 -0.001 0.000 0.320 130 F C -0.308 175.556 175.800 0.107 0.000 1.091 130 F CA -0.862 57.210 58.000 0.120 0.000 0.962 130 F CB 1.407 40.469 39.000 0.102 0.000 1.363 130 F HN 0.390 nan 8.300 nan 0.000 0.482 131 T N 1.858 116.546 114.554 0.223 0.000 2.886 131 T HA 0.565 4.915 4.350 -0.001 0.000 0.292 131 T C -0.641 174.167 174.700 0.181 0.000 1.012 131 T CA -0.472 61.681 62.100 0.088 0.000 0.982 131 T CB 1.704 70.601 68.868 0.049 0.000 1.018 131 T HN 0.643 nan 8.240 nan 0.000 0.451 132 I N 4.056 124.701 120.570 0.125 0.000 2.287 132 I HA 0.263 4.433 4.170 -0.001 0.000 0.290 132 I C -2.165 173.990 176.117 0.062 0.000 1.069 132 I CA -2.429 58.948 61.300 0.128 0.000 1.237 132 I CB 0.609 38.691 38.000 0.136 0.000 1.418 132 I HN 0.308 nan 8.210 nan 0.000 0.481 133 P HA -0.038 nan 4.420 nan 0.000 0.267 133 P C 0.037 177.353 177.300 0.027 0.000 1.201 133 P CA 0.100 63.231 63.100 0.053 0.000 0.775 133 P CB 0.639 32.385 31.700 0.077 0.000 0.854 134 S N 1.544 117.253 115.700 0.016 0.000 2.624 134 S HA 0.237 4.707 4.470 -0.001 0.000 0.263 134 S C 0.728 175.334 174.600 0.009 0.000 1.287 134 S CA -0.806 57.395 58.200 0.003 0.000 0.990 134 S CB -0.150 63.047 63.200 -0.005 0.000 0.950 134 S HN 0.246 nan 8.310 nan 0.000 0.561 135 I N 4.465 125.036 120.570 0.002 0.000 3.058 135 I HA -0.032 4.138 4.170 -0.001 0.000 0.316 135 I C 0.454 176.578 176.117 0.012 0.000 1.173 135 I CA 0.653 61.956 61.300 0.005 0.000 2.135 135 I CB -2.365 35.634 38.000 -0.002 0.000 1.632 135 I HN 0.671 nan 8.210 nan 0.000 1.019 136 N N 3.016 121.729 118.700 0.022 0.000 1.657 136 N HA -0.249 4.491 4.740 -0.001 0.000 0.211 136 N C 0.964 176.488 175.510 0.024 0.000 0.854 136 N CA 1.097 54.162 53.050 0.026 0.000 1.288 136 N CB -1.002 37.497 38.487 0.020 0.000 1.664 136 N HN 0.469 nan 8.380 nan 0.000 0.395 137 N N 1.357 120.067 118.700 0.016 0.000 2.349 137 N HA -0.003 4.736 4.740 -0.001 0.000 0.180 137 N C -0.748 174.766 175.510 0.006 0.000 1.024 137 N CA 0.705 53.763 53.050 0.013 0.000 0.869 137 N CB 0.155 38.648 38.487 0.010 0.000 1.022 137 N HN 0.522 nan 8.380 nan 0.000 0.433 138 E N 0.849 121.050 120.200 0.003 0.000 2.461 138 E HA 0.041 4.390 4.350 -0.001 0.000 0.263 138 E C -0.061 176.536 176.600 -0.005 0.000 1.143 138 E CA 0.167 56.566 56.400 -0.003 0.000 0.994 138 E CB -0.419 29.279 29.700 -0.004 0.000 0.973 138 E HN 0.152 nan 8.360 nan 0.000 0.457 139 T N -0.190 114.357 114.554 -0.011 0.000 0.546 139 T HA -0.096 4.253 4.350 -0.001 0.000 0.773 139 T C -2.412 172.277 174.700 -0.018 0.000 0.992 139 T CA -0.118 61.971 62.100 -0.018 0.000 4.074 139 T CB -0.994 67.862 68.868 -0.019 0.000 2.301 139 T HN 0.450 nan 8.240 nan 0.000 0.397 140 P HA 0.417 nan 4.420 nan 0.000 0.275 140 P C 0.992 178.268 177.300 -0.039 0.000 1.227 140 P CA 0.103 63.185 63.100 -0.030 0.000 0.781 140 P CB 0.521 32.197 31.700 -0.040 0.000 0.906 141 G N 2.118 110.899 108.800 -0.032 0.000 2.785 141 G HA2 0.115 4.075 3.960 -0.001 0.000 0.256 141 G HA3 0.115 4.075 3.960 -0.001 0.000 0.256 141 G C -0.340 174.508 174.900 -0.088 0.000 1.248 141 G CA -0.388 44.690 45.100 -0.038 0.000 0.914 141 G HN 0.447 nan 8.290 nan 0.000 0.580 142 I N 1.166 121.668 120.570 -0.113 0.000 2.330 142 I HA 0.250 4.419 4.170 -0.001 0.000 0.286 142 I C 0.187 176.094 176.117 -0.349 0.000 1.025 142 I CA -0.646 60.514 61.300 -0.235 0.000 1.197 142 I CB 1.033 38.902 38.000 -0.218 0.000 1.358 142 I HN 0.198 nan 8.210 nan 0.000 0.467 143 R N 5.374 125.647 120.500 -0.378 0.000 2.441 143 R HA 0.475 4.814 4.340 -0.001 0.000 0.284 143 R C -1.130 174.797 176.300 -0.621 0.000 1.070 143 R CA -0.313 55.552 56.100 -0.392 0.000 1.047 143 R CB 0.952 31.108 30.300 -0.241 0.000 1.016 143 R HN 0.378 nan 8.270 nan 0.000 0.477 144 Y N -0.343 119.600 120.300 -0.595 0.000 2.669 144 Y HA 0.303 4.852 4.550 -0.000 0.000 0.335 144 Y C -0.004 175.594 175.900 -0.504 0.000 1.116 144 Y CA -0.795 56.913 58.100 -0.653 0.000 1.081 144 Y CB 1.990 39.800 38.460 -1.082 0.000 1.297 144 Y HN 0.521 nan 8.280 nan 0.000 0.484 145 Q N -0.454 119.316 119.800 -0.050 0.000 2.522 145 Q HA 0.488 4.827 4.340 -0.001 0.000 0.285 145 Q C -2.261 173.784 176.000 0.075 0.000 0.982 145 Q CA -1.036 54.816 55.803 0.083 0.000 0.805 145 Q CB 1.982 30.746 28.738 0.043 0.000 1.457 145 Q HN 0.615 nan 8.270 nan 0.000 0.394 146 Y N 1.045 121.414 120.300 0.116 0.000 2.301 146 Y HA 0.279 4.829 4.550 -0.001 0.000 0.328 146 Y C 0.507 176.408 175.900 0.001 0.000 1.242 146 Y CA 0.388 58.519 58.100 0.050 0.000 1.323 146 Y CB 1.446 39.926 38.460 0.033 0.000 1.266 146 Y HN 0.799 nan 8.280 nan 0.000 0.527 147 N N -0.161 118.612 118.700 0.122 0.000 2.166 147 N HA 0.145 4.885 4.740 -0.001 0.000 0.213 147 N C -0.884 174.689 175.510 0.105 0.000 1.222 147 N CA -0.008 53.090 53.050 0.080 0.000 0.900 147 N CB 1.077 39.580 38.487 0.027 0.000 1.055 147 N HN 0.325 nan 8.380 nan 0.000 0.515 148 V N -1.972 118.035 119.914 0.155 0.000 3.182 148 V HA 0.537 4.657 4.120 -0.001 0.000 0.311 148 V C -0.382 175.824 176.094 0.186 0.000 1.221 148 V CA -1.238 61.166 62.300 0.172 0.000 1.060 148 V CB 1.207 33.121 31.823 0.150 0.000 1.164 148 V HN -0.104 nan 8.190 nan 0.000 0.466 149 L N 3.370 124.734 121.223 0.235 0.000 2.369 149 L HA 0.396 4.735 4.340 -0.001 0.000 0.279 149 L C -2.121 174.891 176.870 0.237 0.000 1.108 149 L CA -1.322 53.619 54.840 0.168 0.000 0.852 149 L CB 0.786 42.916 42.059 0.118 0.000 1.169 149 L HN 0.542 nan 8.230 nan 0.000 0.452 150 P HA 0.106 nan 4.420 nan 0.000 0.277 150 P C -0.961 176.457 177.300 0.197 0.000 1.240 150 P CA -0.687 62.309 63.100 -0.173 0.000 0.798 150 P CB 1.009 32.118 31.700 -0.985 0.000 0.979 151 Q N 0.555 120.582 119.800 0.378 0.000 2.314 151 Q HA 0.441 4.780 4.340 -0.001 0.000 0.258 151 Q C 1.273 177.466 176.000 0.321 0.000 0.954 151 Q CA 1.463 57.466 55.803 0.333 0.000 0.890 151 Q CB -0.162 28.683 28.738 0.178 0.000 1.210 151 Q HN 0.822 nan 8.270 nan 0.000 0.410 152 G N 2.404 111.356 108.800 0.254 0.000 2.195 152 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.246 152 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.246 152 G C -0.596 174.445 174.900 0.235 0.000 0.984 152 G CA 0.038 45.286 45.100 0.247 0.000 0.633 152 G HN 0.635 nan 8.290 nan 0.000 0.525 153 W N 2.211 123.442 121.300 -0.115 0.000 2.316 153 W HA 0.641 5.300 4.660 -0.001 0.000 0.311 153 W C 1.305 177.685 176.519 -0.232 0.000 1.217 153 W CA -0.478 56.689 57.345 -0.297 0.000 1.199 153 W CB 0.844 29.921 29.460 -0.638 0.000 1.202 153 W HN 0.073 nan 8.180 nan 0.000 0.528 154 K N 2.695 122.592 120.400 -0.837 0.000 2.127 154 K HA -0.233 4.086 4.320 -0.001 0.000 0.212 154 K C 1.645 177.537 176.600 -1.179 0.000 1.050 154 K CA 2.193 57.990 56.287 -0.816 0.000 0.929 154 K CB -0.586 31.590 32.500 -0.541 0.000 0.715 154 K HN 0.769 nan 8.250 nan 0.000 0.457 155 G N -1.159 106.315 108.800 -2.210 0.000 3.088 155 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.217 155 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.217 155 G C 1.149 175.226 174.900 -1.373 0.000 1.159 155 G CA 0.135 43.809 45.100 -2.376 0.000 0.760 155 G HN 0.212 nan 8.290 nan 0.000 0.550 156 S N 2.037 117.183 115.700 -0.924 0.000 2.351 156 S HA -0.092 4.377 4.470 -0.001 0.000 0.220 156 S C 0.008 174.161 174.600 -0.745 0.000 1.035 156 S CA 1.470 59.232 58.200 -0.730 0.000 1.031 156 S CB -0.897 61.718 63.200 -0.975 0.000 0.928 156 S HN 0.276 nan 8.310 nan 0.000 0.433 157 P HA -0.072 nan 4.420 nan 0.000 0.216 157 P C 1.394 178.584 177.300 -0.183 0.000 1.150 157 P CA 1.582 64.541 63.100 -0.236 0.000 0.843 157 P CB -0.141 31.454 31.700 -0.174 0.000 0.787 158 A N -0.872 121.734 122.820 -0.356 0.000 1.854 158 A HA -0.135 4.185 4.320 -0.001 0.000 0.214 158 A C 2.166 179.639 177.584 -0.186 0.000 1.192 158 A CA 1.440 53.312 52.037 -0.275 0.000 0.611 158 A CB -1.576 17.181 19.000 -0.406 0.000 0.832 158 A HN 0.105 nan 8.150 nan 0.000 0.442 159 I N -1.595 118.814 120.570 -0.268 0.000 2.394 159 I HA -0.177 3.992 4.170 -0.001 0.000 0.251 159 I C 2.243 178.338 176.117 -0.037 0.000 1.136 159 I CA 1.161 62.391 61.300 -0.117 0.000 1.425 159 I CB -0.279 37.669 38.000 -0.088 0.000 1.079 159 I HN 0.461 nan 8.210 nan 0.000 0.425 160 F N 1.290 121.153 119.950 -0.146 0.000 2.113 160 F HA -0.248 4.278 4.527 -0.001 0.000 0.297 160 F C 2.604 178.385 175.800 -0.032 0.000 1.103 160 F CA 1.792 59.765 58.000 -0.044 0.000 1.248 160 F CB -0.475 38.547 39.000 0.036 0.000 0.999 160 F HN 0.011 nan 8.300 nan 0.000 0.475 161 Q N 0.036 119.801 119.800 -0.057 0.000 2.061 161 Q HA -0.261 4.079 4.340 -0.001 0.000 0.204 161 Q C 2.531 178.410 176.000 -0.202 0.000 0.984 161 Q CA 2.387 58.102 55.803 -0.146 0.000 0.846 161 Q CB -0.500 28.232 28.738 -0.010 0.000 0.902 161 Q HN 0.547 nan 8.270 nan 0.000 0.421 162 S N -0.327 115.298 115.700 -0.124 0.000 2.359 162 S HA -0.186 4.284 4.470 -0.001 0.000 0.223 162 S C 2.099 176.602 174.600 -0.161 0.000 1.039 162 S CA 1.935 60.076 58.200 -0.099 0.000 1.042 162 S CB -0.389 62.786 63.200 -0.042 0.000 0.915 162 S HN 0.419 nan 8.310 nan 0.000 0.439 163 S N 1.423 117.001 115.700 -0.203 0.000 2.353 163 S HA -0.131 4.338 4.470 -0.001 0.000 0.222 163 S C 1.876 176.291 174.600 -0.308 0.000 1.035 163 S CA 1.828 59.890 58.200 -0.230 0.000 1.025 163 S CB -0.599 62.484 63.200 -0.194 0.000 0.902 163 S HN 0.644 nan 8.310 nan 0.000 0.440 164 M N 1.891 121.214 119.600 -0.462 0.000 2.267 164 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 164 M C 1.781 177.930 176.300 -0.251 0.000 1.063 164 M CA 1.536 56.588 55.300 -0.414 0.000 1.090 164 M CB -1.189 31.055 32.600 -0.593 0.000 1.392 164 M HN 0.202 nan 8.290 nan 0.000 0.422 165 T N -0.221 114.205 114.554 -0.213 0.000 2.732 165 T HA -0.116 4.233 4.350 -0.001 0.000 0.261 165 T C 1.815 176.431 174.700 -0.141 0.000 1.040 165 T CA 1.657 63.673 62.100 -0.141 0.000 1.145 165 T CB -0.220 68.587 68.868 -0.101 0.000 0.866 165 T HN 0.386 nan 8.240 nan 0.000 0.427 166 K N 0.741 121.041 120.400 -0.165 0.000 2.063 166 K HA 0.016 4.335 4.320 -0.001 0.000 0.208 166 K C 2.062 178.507 176.600 -0.259 0.000 1.048 166 K CA 1.167 57.342 56.287 -0.188 0.000 0.928 166 K CB -0.341 32.039 32.500 -0.199 0.000 0.713 166 K HN 0.315 nan 8.250 nan 0.000 0.442 167 I N 0.508 120.893 120.570 -0.307 0.000 2.614 167 I HA -0.231 3.939 4.170 -0.001 0.000 0.258 167 I C 1.664 177.741 176.117 -0.065 0.000 1.189 167 I CA 0.852 61.922 61.300 -0.383 0.000 1.462 167 I CB -0.001 37.788 38.000 -0.352 0.000 1.092 167 I HN 0.170 nan 8.210 nan 0.000 0.442 168 L N -0.205 120.982 121.223 -0.059 0.000 2.357 168 L HA -0.023 4.316 4.340 -0.001 0.000 0.211 168 L C 2.416 179.291 176.870 0.009 0.000 1.075 168 L CA 0.404 55.242 54.840 -0.004 0.000 0.830 168 L CB -0.372 41.649 42.059 -0.063 0.000 0.996 168 L HN 0.176 nan 8.230 nan 0.000 0.467 169 E N 1.110 121.294 120.200 -0.028 0.000 2.095 169 E HA -0.281 4.068 4.350 -0.001 0.000 0.212 169 E C -0.686 175.915 176.600 0.001 0.000 1.044 169 E CA 2.442 58.830 56.400 -0.020 0.000 0.857 169 E CB -0.819 28.856 29.700 -0.043 0.000 0.764 169 E HN 0.252 nan 8.360 nan 0.000 0.462 170 P HA -0.220 nan 4.420 nan 0.000 0.214 170 P C 1.428 178.707 177.300 -0.036 0.000 1.172 170 P CA 1.481 64.587 63.100 0.009 0.000 0.925 170 P CB -0.492 31.263 31.700 0.093 0.000 0.793 171 F N 1.007 120.794 119.950 -0.271 0.000 2.154 171 F HA -0.194 4.331 4.527 -0.002 0.000 0.301 171 F C 2.400 178.119 175.800 -0.135 0.000 1.087 171 F CA 1.614 59.450 58.000 -0.273 0.000 1.274 171 F CB -0.495 38.276 39.000 -0.383 0.000 1.009 171 F HN -0.224 nan 8.300 nan 0.000 0.485 172 R N -0.353 120.249 120.500 0.170 0.000 2.148 172 R HA -0.133 4.207 4.340 -0.001 0.000 0.227 172 R C 1.964 178.270 176.300 0.011 0.000 1.103 172 R CA 1.092 57.258 56.100 0.109 0.000 0.983 172 R CB -0.235 30.101 30.300 0.061 0.000 0.874 172 R HN 0.138 nan 8.270 nan 0.000 0.451 173 K N 1.199 121.584 120.400 -0.026 0.000 1.991 173 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 173 K C 1.815 178.367 176.600 -0.080 0.000 1.045 173 K CA 1.343 57.604 56.287 -0.044 0.000 0.937 173 K CB -0.316 32.160 32.500 -0.039 0.000 0.720 173 K HN 0.242 nan 8.250 nan 0.000 0.438 174 Q N 0.739 120.453 119.800 -0.143 0.000 2.452 174 Q HA 0.019 4.358 4.340 -0.001 0.000 0.214 174 Q C -0.674 175.173 176.000 -0.254 0.000 0.966 174 Q CA 0.648 56.335 55.803 -0.193 0.000 0.964 174 Q CB -0.483 28.114 28.738 -0.235 0.000 0.992 174 Q HN 0.196 nan 8.270 nan 0.000 0.517 175 N N 0.158 118.749 118.700 -0.182 0.000 2.635 175 N HA 0.149 4.888 4.740 -0.001 0.000 0.252 175 N C -2.549 172.958 175.510 -0.005 0.000 1.589 175 N CA -0.673 52.304 53.050 -0.121 0.000 0.828 175 N CB 1.521 39.893 38.487 -0.192 0.000 1.403 175 N HN -0.048 nan 8.380 nan 0.000 0.518 176 P HA -0.087 nan 4.420 nan 0.000 0.217 176 P C 0.423 177.740 177.300 0.028 0.000 1.150 176 P CA 1.105 64.210 63.100 0.009 0.000 0.832 176 P CB 0.269 31.967 31.700 -0.003 0.000 0.787 177 D N -0.880 119.537 120.400 0.029 0.000 2.378 177 D HA 0.010 4.649 4.640 -0.001 0.000 0.227 177 D C 0.713 177.057 176.300 0.073 0.000 1.012 177 D CA 0.629 54.655 54.000 0.043 0.000 0.905 177 D CB -0.120 40.701 40.800 0.035 0.000 0.895 177 D HN 0.268 nan 8.370 nan 0.000 0.532 178 I N 0.684 121.312 120.570 0.097 0.000 2.359 178 I HA 0.110 4.279 4.170 -0.001 0.000 0.294 178 I C -0.024 176.170 176.117 0.129 0.000 0.987 178 I CA -0.685 60.701 61.300 0.144 0.000 1.225 178 I CB 2.481 40.613 38.000 0.221 0.000 1.366 178 I HN -0.344 nan 8.210 nan 0.000 0.466 179 V N 8.127 128.126 119.914 0.142 0.000 2.407 179 V HA 0.469 4.589 4.120 -0.001 0.000 0.278 179 V C -0.215 175.988 176.094 0.182 0.000 1.037 179 V CA -0.319 62.070 62.300 0.149 0.000 0.900 179 V CB 1.348 33.315 31.823 0.241 0.000 0.983 179 V HN 0.466 nan 8.190 nan 0.000 0.459 180 I N 7.146 127.772 120.570 0.094 0.000 2.439 180 I HA 0.380 4.550 4.170 -0.001 0.000 0.285 180 I C -1.364 174.781 176.117 0.046 0.000 1.021 180 I CA -0.565 60.787 61.300 0.086 0.000 1.091 180 I CB 1.650 39.635 38.000 -0.024 0.000 1.242 180 I HN 0.469 nan 8.210 nan 0.000 0.439 181 Y N 4.911 125.176 120.300 -0.058 0.000 2.367 181 Y HA 0.332 4.881 4.550 -0.001 0.000 0.342 181 Y C 0.352 176.142 175.900 -0.184 0.000 0.979 181 Y CA -0.575 57.490 58.100 -0.058 0.000 1.161 181 Y CB 0.887 39.387 38.460 0.067 0.000 1.155 181 Y HN 0.455 nan 8.280 nan 0.000 0.503 182 Q N 3.439 123.233 119.800 -0.010 0.000 2.377 182 Q HA 0.212 4.551 4.340 -0.001 0.000 0.249 182 Q C -1.577 174.474 176.000 0.084 0.000 1.005 182 Q CA -0.488 55.295 55.803 -0.034 0.000 0.912 182 Q CB 0.671 29.387 28.738 -0.037 0.000 1.223 182 Q HN 0.670 nan 8.270 nan 0.000 0.459 183 Y N 4.667 124.913 120.300 -0.090 0.000 2.349 183 Y HA 0.270 4.819 4.550 -0.000 0.000 0.324 183 Y C 0.120 176.076 175.900 0.093 0.000 1.005 183 Y CA -0.488 57.659 58.100 0.079 0.000 1.240 183 Y CB 0.470 39.102 38.460 0.286 0.000 1.117 183 Y HN 0.902 nan 8.280 nan 0.000 0.463 184 M N 1.999 121.334 119.600 -0.442 0.000 7.319 184 M HA -0.377 4.103 4.480 -0.001 0.000 0.298 184 M C 0.128 176.421 176.300 -0.011 0.000 0.480 184 M CA 2.719 57.829 55.300 -0.317 0.000 1.311 184 M CB -0.682 31.615 32.600 -0.506 0.000 0.421 184 M HN 0.816 nan 8.290 nan 0.000 0.605 185 D N -0.134 120.225 120.400 -0.067 0.000 2.525 185 D HA 0.320 4.960 4.640 -0.001 0.000 0.229 185 D C -0.719 175.610 176.300 0.049 0.000 1.202 185 D CA -0.162 53.848 54.000 0.016 0.000 0.828 185 D CB -0.020 40.557 40.800 -0.372 0.000 1.008 185 D HN 0.284 nan 8.370 nan 0.000 0.493 186 D N 0.102 120.505 120.400 0.006 0.000 2.326 186 D HA 0.508 5.148 4.640 -0.001 0.000 0.248 186 D C -0.470 175.648 176.300 -0.304 0.000 1.001 186 D CA -0.493 53.447 54.000 -0.100 0.000 0.961 186 D CB 1.826 42.593 40.800 -0.055 0.000 1.183 186 D HN 0.022 nan 8.370 nan 0.000 0.502 187 L N 1.709 122.707 121.223 -0.374 0.000 2.438 187 L HA 0.356 4.696 4.340 -0.001 0.000 0.270 187 L C -1.286 175.400 176.870 -0.306 0.000 0.972 187 L CA -0.764 53.873 54.840 -0.339 0.000 0.831 187 L CB 1.655 43.630 42.059 -0.141 0.000 1.273 187 L HN 0.354 nan 8.230 nan 0.000 0.405 188 Y N 2.924 123.209 120.300 -0.025 0.000 2.356 188 Y HA 0.488 5.038 4.550 -0.001 0.000 0.334 188 Y C 0.006 175.884 175.900 -0.037 0.000 0.958 188 Y CA -1.268 56.749 58.100 -0.138 0.000 1.196 188 Y CB 1.848 40.108 38.460 -0.334 0.000 1.137 188 Y HN 0.177 nan 8.280 nan 0.000 0.485 189 V N 2.062 122.034 119.914 0.096 0.000 2.398 189 V HA 0.897 5.016 4.120 -0.001 0.000 0.286 189 V C 0.213 176.407 176.094 0.167 0.000 1.026 189 V CA -0.698 61.670 62.300 0.113 0.000 0.868 189 V CB 1.225 33.079 31.823 0.052 0.000 0.982 189 V HN 0.906 nan 8.190 nan 0.000 0.443 190 G N 2.413 111.323 108.800 0.184 0.000 2.701 190 G HA2 0.733 4.693 3.960 -0.001 0.000 0.300 190 G HA3 0.733 4.693 3.960 -0.001 0.000 0.300 190 G C -0.765 174.225 174.900 0.149 0.000 1.410 190 G CA -0.024 45.165 45.100 0.148 0.000 1.014 190 G HN 1.118 nan 8.290 nan 0.000 0.509 191 S N -0.092 115.658 115.700 0.084 0.000 2.685 191 S HA 0.611 5.081 4.470 -0.001 0.000 0.282 191 S C -0.861 173.725 174.600 -0.024 0.000 1.159 191 S CA -0.730 57.519 58.200 0.081 0.000 0.833 191 S CB 2.431 65.755 63.200 0.207 0.000 1.151 191 S HN 0.263 nan 8.310 nan 0.000 0.485 192 D N 0.519 120.922 120.400 0.006 0.000 2.395 192 D HA 0.319 4.958 4.640 -0.001 0.000 0.213 192 D C 0.334 176.629 176.300 -0.009 0.000 1.110 192 D CA 0.025 54.014 54.000 -0.017 0.000 0.835 192 D CB -0.011 40.788 40.800 -0.002 0.000 0.965 192 D HN 0.485 nan 8.370 nan 0.000 0.505 193 L N 0.656 121.888 121.223 0.016 0.000 2.472 193 L HA 0.208 4.547 4.340 -0.001 0.000 0.260 193 L C 0.860 177.742 176.870 0.018 0.000 1.209 193 L CA -0.676 54.187 54.840 0.038 0.000 0.817 193 L CB 0.235 42.347 42.059 0.089 0.000 1.106 193 L HN -0.275 nan 8.230 nan 0.000 0.479 194 E N 0.189 120.409 120.200 0.033 0.000 2.409 194 E HA 0.073 4.422 4.350 -0.001 0.000 0.257 194 E C 0.922 177.560 176.600 0.063 0.000 1.150 194 E CA -0.078 56.340 56.400 0.029 0.000 0.942 194 E CB 0.484 30.203 29.700 0.031 0.000 0.979 194 E HN 0.439 nan 8.360 nan 0.000 0.447 195 I N 1.304 121.909 120.570 0.058 0.000 2.236 195 I HA -0.317 3.853 4.170 -0.001 0.000 0.249 195 I C 1.828 178.024 176.117 0.131 0.000 1.102 195 I CA 1.923 63.286 61.300 0.105 0.000 1.365 195 I CB -0.404 37.643 38.000 0.078 0.000 1.051 195 I HN 0.732 nan 8.210 nan 0.000 0.420 196 G N 0.484 109.338 108.800 0.089 0.000 2.877 196 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.211 196 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.211 196 G C 1.238 176.193 174.900 0.092 0.000 1.367 196 G CA 0.986 46.132 45.100 0.077 0.000 0.807 196 G HN 0.507 nan 8.290 nan 0.000 0.666 197 Q N 0.232 120.084 119.800 0.087 0.000 2.449 197 Q HA -0.194 4.145 4.340 -0.001 0.000 0.214 197 Q C 1.889 177.966 176.000 0.128 0.000 0.986 197 Q CA 1.754 57.610 55.803 0.088 0.000 0.893 197 Q CB -0.754 28.028 28.738 0.074 0.000 0.940 197 Q HN 0.852 nan 8.270 nan 0.000 0.477 198 H N 1.547 120.648 119.070 0.052 0.000 2.287 198 H HA 0.128 4.686 4.556 0.003 0.000 0.309 198 H C 1.801 177.169 175.328 0.068 0.000 1.059 198 H CA 0.836 56.921 56.048 0.062 0.000 1.357 198 H CB 0.303 30.098 29.762 0.056 0.000 1.409 198 H HN 0.198 nan 8.280 nan 0.000 0.515 199 R N -0.174 120.366 120.500 0.067 0.000 2.261 199 R HA -0.092 4.247 4.340 -0.001 0.000 0.236 199 R C 2.061 178.361 176.300 -0.000 0.000 1.141 199 R CA 1.432 57.539 56.100 0.011 0.000 1.001 199 R CB -0.050 30.291 30.300 0.069 0.000 0.866 199 R HN 0.328 nan 8.270 nan 0.000 0.468 200 T N 0.329 114.896 114.554 0.022 0.000 2.866 200 T HA 0.008 4.358 4.350 -0.001 0.000 0.250 200 T C 1.713 176.434 174.700 0.036 0.000 1.033 200 T CA 0.503 62.623 62.100 0.033 0.000 1.145 200 T CB 0.147 69.042 68.868 0.044 0.000 0.866 200 T HN 0.030 nan 8.240 nan 0.000 0.434 201 K N 0.968 121.390 120.400 0.037 0.000 2.103 201 K HA 0.042 4.361 4.320 -0.001 0.000 0.207 201 K C 2.178 178.838 176.600 0.100 0.000 1.048 201 K CA 0.964 57.306 56.287 0.090 0.000 0.930 201 K CB -0.578 31.988 32.500 0.110 0.000 0.716 201 K HN 0.330 nan 8.250 nan 0.000 0.444 202 I N 1.356 121.893 120.570 -0.056 0.000 2.264 202 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 202 I C 2.275 178.390 176.117 -0.003 0.000 1.111 202 I CA 1.233 62.481 61.300 -0.087 0.000 1.382 202 I CB 0.046 37.929 38.000 -0.195 0.000 1.060 202 I HN 0.114 nan 8.210 nan 0.000 0.418 203 E N 0.108 120.323 120.200 0.025 0.000 2.072 203 E HA -0.258 4.091 4.350 -0.001 0.000 0.190 203 E C 1.974 178.634 176.600 0.099 0.000 0.982 203 E CA 0.977 57.408 56.400 0.052 0.000 0.803 203 E CB -0.262 29.465 29.700 0.045 0.000 0.755 203 E HN 0.548 nan 8.360 nan 0.000 0.453 204 E N 0.545 120.830 120.200 0.142 0.000 2.204 204 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 204 E C 2.083 178.884 176.600 0.336 0.000 0.990 204 E CA 0.382 56.908 56.400 0.212 0.000 0.821 204 E CB 0.070 29.887 29.700 0.196 0.000 0.750 204 E HN 0.143 nan 8.360 nan 0.000 0.477 205 L N 0.934 122.319 121.223 0.270 0.000 1.993 205 L HA -0.136 4.204 4.340 -0.001 0.000 0.206 205 L C 2.562 179.468 176.870 0.059 0.000 1.074 205 L CA 1.451 56.307 54.840 0.026 0.000 0.746 205 L CB -0.533 41.345 42.059 -0.301 0.000 0.896 205 L HN 0.199 nan 8.230 nan 0.000 0.435 206 R N -0.332 120.189 120.500 0.034 0.000 2.119 206 R HA -0.292 4.048 4.340 -0.001 0.000 0.246 206 R C 2.081 178.428 176.300 0.079 0.000 1.146 206 R CA 1.903 58.029 56.100 0.043 0.000 0.962 206 R CB -0.698 29.622 30.300 0.033 0.000 0.863 206 R HN 0.423 nan 8.270 nan 0.000 0.442 207 Q N 0.813 120.676 119.800 0.105 0.000 2.020 207 Q HA -0.214 4.126 4.340 -0.001 0.000 0.202 207 Q C 2.045 178.128 176.000 0.137 0.000 0.982 207 Q CA 2.164 58.029 55.803 0.103 0.000 0.838 207 Q CB -0.496 28.306 28.738 0.107 0.000 0.899 207 Q HN 0.587 nan 8.270 nan 0.000 0.423 208 H N -0.450 118.705 119.070 0.142 0.000 2.390 208 H HA -0.098 4.458 4.556 -0.000 0.000 0.298 208 H C 1.712 177.194 175.328 0.257 0.000 1.106 208 H CA 1.954 58.134 56.048 0.219 0.000 1.297 208 H CB -0.212 29.739 29.762 0.316 0.000 1.375 208 H HN 0.309 nan 8.280 nan 0.000 0.509 209 L N -0.251 121.076 121.223 0.174 0.000 2.042 209 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 209 L C 2.650 179.572 176.870 0.088 0.000 1.076 209 L CA 1.279 56.191 54.840 0.119 0.000 0.749 209 L CB -0.481 41.630 42.059 0.087 0.000 0.893 209 L HN 0.373 nan 8.230 nan 0.000 0.432 210 L N -0.388 120.863 121.223 0.046 0.000 2.093 210 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 210 L C 2.831 179.657 176.870 -0.074 0.000 1.085 210 L CA 0.861 55.706 54.840 0.007 0.000 0.755 210 L CB -0.341 41.721 42.059 0.006 0.000 0.904 210 L HN 0.239 nan 8.230 nan 0.000 0.435 211 R N -0.472 119.921 120.500 -0.178 0.000 2.293 211 R HA -0.199 4.141 4.340 -0.001 0.000 0.219 211 R C 0.654 176.555 176.300 -0.665 0.000 1.091 211 R CA 1.122 56.967 56.100 -0.426 0.000 1.004 211 R CB -0.284 29.689 30.300 -0.545 0.000 0.865 211 R HN 0.453 nan 8.270 nan 0.000 0.469 212 W N -0.679 120.552 121.300 -0.115 0.000 2.926 212 W HA 0.296 4.955 4.660 -0.001 0.000 0.419 212 W C 1.090 177.589 176.519 -0.034 0.000 0.993 212 W CA 0.209 57.499 57.345 -0.092 0.000 2.025 212 W CB 0.527 29.897 29.460 -0.150 0.000 1.152 212 W HN 0.237 nan 8.180 nan 0.000 0.659 213 G N 0.853 109.714 108.800 0.102 0.000 2.162 213 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.260 213 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.260 213 G C -0.129 174.841 174.900 0.117 0.000 0.976 213 G CA -0.076 45.083 45.100 0.099 0.000 0.655 213 G HN 0.194 nan 8.290 nan 0.000 0.533 214 L N 1.943 123.239 121.223 0.121 0.000 2.265 214 L HA 0.582 4.922 4.340 -0.001 0.000 0.289 214 L C 0.938 177.858 176.870 0.082 0.000 1.033 214 L CA -0.227 54.684 54.840 0.118 0.000 0.814 214 L CB 1.648 43.785 42.059 0.130 0.000 1.203 214 L HN 0.308 nan 8.230 nan 0.000 0.423 215 T N 0.123 114.721 114.554 0.073 0.000 2.909 215 T HA 0.742 5.091 4.350 -0.001 0.000 0.286 215 T C 0.052 174.778 174.700 0.043 0.000 1.002 215 T CA -0.399 61.729 62.100 0.047 0.000 1.074 215 T CB 1.647 70.535 68.868 0.034 0.000 0.984 215 T HN 0.679 nan 8.240 nan 0.000 0.495 216 T N 0.421 114.993 114.554 0.030 0.000 2.841 216 T HA 0.710 5.059 4.350 -0.001 0.000 0.296 216 T C -3.103 171.609 174.700 0.021 0.000 1.166 216 T CA -1.624 60.494 62.100 0.029 0.000 1.007 216 T CB 1.147 70.032 68.868 0.029 0.000 1.253 216 T HN 0.593 nan 8.240 nan 0.000 0.511 217 P HA 0.358 nan 4.420 nan 0.000 0.278 217 P C -0.933 176.402 177.300 0.059 0.000 1.238 217 P CA -0.177 62.947 63.100 0.041 0.000 0.794 217 P CB 0.404 32.155 31.700 0.085 0.000 0.955 218 D N 0.297 120.736 120.400 0.065 0.000 2.388 218 D HA 0.295 4.934 4.640 -0.001 0.000 0.254 218 D C 0.211 176.595 176.300 0.139 0.000 1.111 218 D CA -0.781 53.271 54.000 0.085 0.000 0.993 218 D CB 0.613 41.456 40.800 0.073 0.000 1.118 218 D HN 0.072 nan 8.370 nan 0.000 0.502 219 K N -0.208 120.258 120.400 0.109 0.000 2.339 219 K HA -0.077 4.242 4.320 -0.001 0.000 0.260 219 K C 0.893 177.562 176.600 0.115 0.000 0.989 219 K CA 0.330 56.677 56.287 0.101 0.000 0.888 219 K CB 0.296 32.840 32.500 0.074 0.000 0.983 219 K HN 0.679 nan 8.250 nan 0.000 0.515 220 K N 0.277 120.708 120.400 0.051 0.000 3.443 220 K HA -0.331 3.989 4.320 -0.001 0.000 0.323 220 K C 0.726 177.231 176.600 -0.159 0.000 0.757 220 K CA 2.288 58.547 56.287 -0.048 0.000 1.417 220 K CB -1.203 31.262 32.500 -0.057 0.000 1.338 220 K HN 0.900 nan 8.250 nan 0.000 0.459 221 H N 0.636 119.732 119.070 0.043 0.000 2.654 221 H HA 0.269 4.824 4.556 -0.000 0.000 0.264 221 H C 0.416 175.780 175.328 0.059 0.000 0.954 221 H CA 0.263 56.338 56.048 0.045 0.000 1.199 221 H CB 0.411 30.196 29.762 0.039 0.000 1.446 221 H HN 0.270 nan 8.280 nan 0.000 0.516 222 Q N 1.675 121.570 119.800 0.158 0.000 2.337 222 Q HA 0.099 4.438 4.340 -0.001 0.000 0.270 222 Q C -0.239 175.845 176.000 0.139 0.000 1.002 222 Q CA 0.078 55.964 55.803 0.139 0.000 0.888 222 Q CB 1.018 29.830 28.738 0.123 0.000 1.222 222 Q HN 0.245 nan 8.270 nan 0.000 0.400 223 K N 1.810 122.315 120.400 0.175 0.000 2.276 223 K HA 0.069 4.389 4.320 -0.001 0.000 0.259 223 K C -0.392 176.354 176.600 0.244 0.000 1.001 223 K CA 0.260 56.671 56.287 0.206 0.000 0.927 223 K CB 0.485 33.146 32.500 0.269 0.000 0.969 223 K HN 0.423 nan 8.250 nan 0.000 0.490 224 E N 1.536 121.805 120.200 0.115 0.000 2.221 224 E HA 0.299 4.648 4.350 -0.001 0.000 0.268 224 E C -2.392 174.003 176.600 -0.342 0.000 0.933 224 E CA -2.245 54.138 56.400 -0.029 0.000 0.809 224 E CB 1.168 30.841 29.700 -0.044 0.000 1.190 224 E HN 0.307 nan 8.360 nan 0.000 0.406 225 P HA 0.106 nan 4.420 nan 0.000 0.269 225 P C -2.468 174.539 177.300 -0.488 0.000 1.209 225 P CA -1.002 61.531 63.100 -0.945 0.000 0.776 225 P CB -0.250 31.075 31.700 -0.626 0.000 0.876 226 P HA 0.211 nan 4.420 nan 0.000 0.276 226 P C -0.820 176.196 177.300 -0.475 0.000 1.235 226 P CA -0.039 62.674 63.100 -0.645 0.000 0.772 226 P CB 0.134 31.355 31.700 -0.798 0.000 0.871 227 F N 2.428 122.329 119.950 -0.081 0.000 2.445 227 F HA 0.162 4.689 4.527 -0.001 0.000 0.359 227 F C 0.609 176.452 175.800 0.072 0.000 1.101 227 F CA -0.378 57.616 58.000 -0.009 0.000 1.177 227 F CB 0.108 39.075 39.000 -0.055 0.000 1.110 227 F HN 0.076 nan 8.300 nan 0.000 0.522 228 L N 4.618 125.992 121.223 0.251 0.000 2.389 228 L HA 0.138 4.478 4.340 -0.001 0.000 0.265 228 L C -0.847 176.181 176.870 0.263 0.000 1.167 228 L CA -0.420 54.548 54.840 0.213 0.000 1.045 228 L CB -0.628 41.505 42.059 0.124 0.000 1.351 228 L HN 0.633 nan 8.230 nan 0.000 0.419 229 W N 4.777 126.151 121.300 0.122 0.000 2.417 229 W HA 0.468 5.128 4.660 0.001 0.000 0.315 229 W C 0.638 177.231 176.519 0.124 0.000 1.045 229 W CA -1.112 56.272 57.345 0.065 0.000 1.221 229 W CB 1.096 30.517 29.460 -0.065 0.000 1.309 229 W HN 0.425 nan 8.180 nan 0.000 0.453 230 M N 5.862 125.045 119.600 -0.696 0.000 2.503 230 M HA -0.208 4.271 4.480 -0.001 0.000 0.199 230 M C 1.124 177.148 176.300 -0.459 0.000 0.466 230 M CA 1.974 56.800 55.300 -0.790 0.000 0.510 230 M CB -1.179 30.475 32.600 -1.576 0.000 1.858 230 M HN 1.295 nan 8.290 nan 0.000 0.799 231 G N -2.638 105.992 108.800 -0.282 0.000 2.175 231 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.244 231 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.244 231 G C -0.213 174.699 174.900 0.019 0.000 0.982 231 G CA 0.142 45.108 45.100 -0.224 0.000 0.641 231 G HN 0.625 nan 8.290 nan 0.000 0.527 232 Y N -0.216 120.286 120.300 0.336 0.000 2.602 232 Y HA 0.740 5.290 4.550 -0.000 0.000 0.330 232 Y C 0.541 176.648 175.900 0.345 0.000 1.114 232 Y CA -1.310 57.025 58.100 0.392 0.000 1.182 232 Y CB 1.326 39.999 38.460 0.356 0.000 1.305 232 Y HN 0.075 nan 8.280 nan 0.000 0.502 233 E N 1.270 121.819 120.200 0.581 0.000 2.182 233 E HA 0.415 4.765 4.350 -0.001 0.000 0.258 233 E C -1.566 175.306 176.600 0.453 0.000 0.879 233 E CA -0.280 56.366 56.400 0.409 0.000 0.754 233 E CB 0.716 30.686 29.700 0.450 0.000 1.162 233 E HN 0.463 nan 8.360 nan 0.000 0.419 234 L N 5.093 126.497 121.223 0.301 0.000 2.353 234 L HA 0.342 4.682 4.340 -0.001 0.000 0.269 234 L C -0.253 176.705 176.870 0.147 0.000 1.085 234 L CA -0.491 54.558 54.840 0.349 0.000 0.938 234 L CB -0.447 41.833 42.059 0.369 0.000 1.312 234 L HN 0.529 nan 8.230 nan 0.000 0.429 235 H N 2.547 121.742 119.070 0.208 0.000 2.544 235 H HA 0.197 4.752 4.556 -0.003 0.000 0.365 235 H C -1.436 174.007 175.328 0.190 0.000 1.268 235 H CA -1.533 54.571 56.048 0.093 0.000 1.400 235 H CB 0.297 30.083 29.762 0.040 0.000 1.538 235 H HN 0.186 nan 8.280 nan 0.000 0.597 236 P HA -0.051 nan 4.420 nan 0.000 0.231 236 P C 0.126 177.614 177.300 0.313 0.000 1.168 236 P CA 1.102 64.326 63.100 0.207 0.000 0.779 236 P CB 0.447 32.203 31.700 0.092 0.000 0.844 237 D N -1.767 118.801 120.400 0.280 0.000 2.514 237 D HA 0.056 4.696 4.640 -0.001 0.000 0.225 237 D C 0.494 176.829 176.300 0.058 0.000 1.159 237 D CA 0.223 54.346 54.000 0.205 0.000 0.823 237 D CB 0.383 41.222 40.800 0.066 0.000 1.097 237 D HN 0.235 nan 8.370 nan 0.000 0.519 238 K N -0.909 119.491 120.400 -0.000 0.000 2.507 238 K HA 0.618 4.937 4.320 -0.001 0.000 0.284 238 K C -1.186 175.382 176.600 -0.054 0.000 1.038 238 K CA -1.174 54.981 56.287 -0.220 0.000 0.903 238 K CB 1.776 34.093 32.500 -0.304 0.000 1.531 238 K HN 0.122 nan 8.250 nan 0.000 0.430 239 W N -0.331 120.875 121.300 -0.157 0.000 3.074 239 W HA 0.715 5.373 4.660 -0.003 0.000 0.332 239 W C -1.834 174.747 176.519 0.102 0.000 1.253 239 W CA -0.843 56.533 57.345 0.051 0.000 1.180 239 W CB 1.540 31.009 29.460 0.017 0.000 1.445 239 W HN 0.838 nan 8.180 nan 0.000 0.573 240 T N 0.270 115.138 114.554 0.525 0.000 2.733 240 T HA 0.378 4.728 4.350 -0.001 0.000 0.312 240 T C -1.046 174.030 174.700 0.626 0.000 1.590 240 T CA -0.184 62.063 62.100 0.245 0.000 1.005 240 T CB 0.927 69.832 68.868 0.062 0.000 1.528 240 T HN 1.095 nan 8.240 nan 0.000 0.496 241 V N 1.484 121.690 119.914 0.487 0.000 2.881 241 V HA 0.603 4.722 4.120 -0.001 0.000 0.303 241 V C 0.525 176.856 176.094 0.396 0.000 1.070 241 V CA -0.478 62.108 62.300 0.476 0.000 1.074 241 V CB 0.647 32.649 31.823 0.298 0.000 1.012 241 V HN 1.005 nan 8.190 nan 0.000 0.482 242 Q N 2.742 122.758 119.800 0.360 0.000 2.474 242 Q HA 0.263 4.603 4.340 -0.001 0.000 0.256 242 Q C -2.241 173.876 176.000 0.195 0.000 1.048 242 Q CA -1.219 54.725 55.803 0.235 0.000 0.922 242 Q CB 0.150 28.974 28.738 0.144 0.000 1.288 242 Q HN 0.673 nan 8.270 nan 0.000 0.484 243 P HA -0.127 nan 4.420 nan 0.000 0.257 243 P C -1.153 176.190 177.300 0.072 0.000 1.162 243 P CA 0.761 63.923 63.100 0.103 0.000 0.762 243 P CB 0.152 31.897 31.700 0.075 0.000 0.753 244 I N 4.083 124.682 120.570 0.049 0.000 2.315 244 I HA 0.189 4.358 4.170 -0.001 0.000 0.291 244 I C 0.312 176.428 176.117 -0.002 0.000 1.006 244 I CA -0.370 60.938 61.300 0.014 0.000 1.265 244 I CB 1.519 39.498 38.000 -0.035 0.000 1.387 244 I HN 0.076 nan 8.210 nan 0.000 0.475 245 V N 8.365 128.284 119.914 0.008 0.000 2.313 245 V HA 0.438 4.557 4.120 -0.001 0.000 0.278 245 V C -0.302 175.807 176.094 0.026 0.000 1.017 245 V CA -0.508 61.798 62.300 0.011 0.000 0.823 245 V CB 0.843 32.672 31.823 0.010 0.000 1.010 245 V HN 0.559 nan 8.190 nan 0.000 0.443 246 L N 10.089 131.332 121.223 0.033 0.000 2.334 246 L HA 0.386 4.725 4.340 -0.001 0.000 0.286 246 L C -1.701 175.238 176.870 0.115 0.000 1.108 246 L CA -1.616 53.271 54.840 0.078 0.000 0.875 246 L CB 0.746 42.839 42.059 0.058 0.000 1.246 246 L HN 0.521 nan 8.230 nan 0.000 0.439 247 P HA -0.086 nan 4.420 nan 0.000 0.255 247 P C -0.514 176.813 177.300 0.045 0.000 1.173 247 P CA 0.208 63.337 63.100 0.049 0.000 0.780 247 P CB 0.241 31.946 31.700 0.007 0.000 0.758 248 E N 3.368 123.564 120.200 -0.006 0.000 2.324 248 E HA 0.205 4.555 4.350 -0.001 0.000 0.271 248 E C -0.003 176.482 176.600 -0.191 0.000 1.028 248 E CA -0.016 56.381 56.400 -0.007 0.000 0.890 248 E CB 1.244 30.944 29.700 -0.000 0.000 1.004 248 E HN 0.437 nan 8.360 nan 0.000 0.431 249 K N 1.487 121.716 120.400 -0.285 0.000 2.466 249 K HA 0.196 4.515 4.320 -0.001 0.000 0.260 249 K C -0.277 176.128 176.600 -0.326 0.000 1.011 249 K CA -0.529 55.424 56.287 -0.558 0.000 0.871 249 K CB 1.848 33.487 32.500 -1.435 0.000 1.404 249 K HN 0.150 nan 8.250 nan 0.000 0.450 250 D N -0.640 119.576 120.400 -0.306 0.000 2.414 250 D HA 0.149 4.789 4.640 -0.001 0.000 0.237 250 D C -0.595 175.631 176.300 -0.123 0.000 0.975 250 D CA 0.806 54.718 54.000 -0.145 0.000 0.917 250 D CB 0.570 41.302 40.800 -0.113 0.000 1.061 250 D HN 0.350 nan 8.370 nan 0.000 0.480 251 S N -0.478 115.101 115.700 -0.201 0.000 2.532 251 S HA 0.475 4.945 4.470 -0.001 0.000 0.299 251 S C -1.306 173.181 174.600 -0.188 0.000 1.105 251 S CA -0.760 57.385 58.200 -0.093 0.000 1.018 251 S CB 1.270 64.442 63.200 -0.046 0.000 1.021 251 S HN 0.125 nan 8.310 nan 0.000 0.483 252 W N 2.348 123.643 121.300 -0.010 0.000 2.349 252 W HA 0.477 5.136 4.660 -0.001 0.000 0.309 252 W C 0.789 177.302 176.519 -0.010 0.000 1.083 252 W CA -0.516 56.822 57.345 -0.011 0.000 1.224 252 W CB 1.181 30.634 29.460 -0.011 0.000 1.256 252 W HN 0.682 nan 8.180 nan 0.000 0.461 253 T N -1.407 113.255 114.554 0.180 0.000 2.927 253 T HA 0.253 4.602 4.350 -0.001 0.000 0.281 253 T C 0.953 175.728 174.700 0.126 0.000 0.998 253 T CA -0.821 61.346 62.100 0.111 0.000 1.019 253 T CB 1.359 70.256 68.868 0.049 0.000 1.061 253 T HN 0.215 nan 8.240 nan 0.000 0.518 254 V N 1.766 121.727 119.914 0.080 0.000 2.317 254 V HA -0.245 3.874 4.120 -0.001 0.000 0.251 254 V C 2.731 178.863 176.094 0.064 0.000 1.065 254 V CA 2.568 64.905 62.300 0.062 0.000 1.049 254 V CB -1.396 30.449 31.823 0.037 0.000 0.651 254 V HN 1.045 nan 8.190 nan 0.000 0.450 255 N N -0.202 118.533 118.700 0.058 0.000 2.381 255 N HA -0.156 4.584 4.740 -0.001 0.000 0.182 255 N C 1.409 176.966 175.510 0.078 0.000 1.025 255 N CA 1.282 54.362 53.050 0.050 0.000 0.888 255 N CB -0.075 38.429 38.487 0.029 0.000 0.965 255 N HN 0.508 nan 8.380 nan 0.000 0.438 256 D N -0.077 120.402 120.400 0.132 0.000 2.162 256 D HA -0.005 4.634 4.640 -0.001 0.000 0.205 256 D C 1.847 178.320 176.300 0.288 0.000 0.964 256 D CA 0.647 54.781 54.000 0.222 0.000 0.847 256 D CB 0.046 41.017 40.800 0.286 0.000 0.988 256 D HN 0.389 nan 8.370 nan 0.000 0.480 257 I N 1.099 121.803 120.570 0.223 0.000 2.252 257 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 257 I C 2.598 178.735 176.117 0.033 0.000 1.102 257 I CA 0.992 62.332 61.300 0.067 0.000 1.385 257 I CB -0.149 37.852 38.000 0.001 0.000 1.064 257 I HN -0.078 nan 8.210 nan 0.000 0.414 258 Q N 0.816 120.643 119.800 0.045 0.000 2.045 258 Q HA -0.270 4.070 4.340 -0.001 0.000 0.206 258 Q C 2.248 178.264 176.000 0.027 0.000 0.991 258 Q CA 1.866 57.684 55.803 0.026 0.000 0.851 258 Q CB -0.066 28.687 28.738 0.024 0.000 0.911 258 Q HN 0.435 nan 8.270 nan 0.000 0.418 259 K N 0.376 120.802 120.400 0.042 0.000 2.063 259 K HA -0.142 4.178 4.320 -0.001 0.000 0.208 259 K C 2.124 178.747 176.600 0.040 0.000 1.048 259 K CA 0.890 57.197 56.287 0.033 0.000 0.928 259 K CB -0.217 32.307 32.500 0.040 0.000 0.713 259 K HN 0.219 nan 8.250 nan 0.000 0.442 260 L N 1.034 122.295 121.223 0.063 0.000 1.970 260 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 260 L C 2.251 179.122 176.870 0.003 0.000 1.071 260 L CA 1.565 56.428 54.840 0.038 0.000 0.751 260 L CB -0.408 41.646 42.059 -0.009 0.000 0.889 260 L HN 0.031 nan 8.230 nan 0.000 0.432 261 V N 0.130 120.037 119.914 -0.011 0.000 2.370 261 V HA -0.297 3.823 4.120 -0.001 0.000 0.252 261 V C 2.574 178.682 176.094 0.023 0.000 1.068 261 V CA 2.013 64.308 62.300 -0.008 0.000 1.061 261 V CB -1.421 30.396 31.823 -0.011 0.000 0.656 261 V HN 0.684 nan 8.190 nan 0.000 0.455 262 G N -0.669 108.148 108.800 0.029 0.000 2.394 262 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.215 262 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.215 262 G C 1.641 176.589 174.900 0.080 0.000 1.165 262 G CA 0.478 45.607 45.100 0.048 0.000 0.784 262 G HN 0.457 nan 8.290 nan 0.000 0.535 263 K N -0.051 120.381 120.400 0.053 0.000 2.097 263 K HA 0.108 4.428 4.320 -0.001 0.000 0.205 263 K C 2.464 179.127 176.600 0.106 0.000 1.050 263 K CA 0.438 56.770 56.287 0.074 0.000 0.938 263 K CB -0.274 32.247 32.500 0.035 0.000 0.718 263 K HN 0.269 nan 8.250 nan 0.000 0.442 264 L N 1.326 122.582 121.223 0.055 0.000 1.976 264 L HA -0.214 4.126 4.340 -0.001 0.000 0.209 264 L C 2.059 178.971 176.870 0.070 0.000 1.071 264 L CA 1.208 56.065 54.840 0.028 0.000 0.746 264 L CB -0.604 41.451 42.059 -0.007 0.000 0.890 264 L HN 0.233 nan 8.230 nan 0.000 0.432 265 N N -0.414 118.343 118.700 0.095 0.000 2.094 265 N HA -0.281 4.459 4.740 -0.001 0.000 0.191 265 N C 1.514 177.136 175.510 0.186 0.000 1.023 265 N CA 1.502 54.624 53.050 0.121 0.000 0.857 265 N CB -0.459 38.102 38.487 0.123 0.000 1.013 265 N HN 0.519 nan 8.380 nan 0.000 0.426 266 W N 1.868 123.188 121.300 0.034 0.000 2.358 266 W HA -0.111 4.549 4.660 -0.001 0.000 0.303 266 W C 1.984 178.564 176.519 0.102 0.000 1.208 266 W CA 1.647 59.023 57.345 0.052 0.000 1.274 266 W CB -0.148 29.309 29.460 -0.006 0.000 1.138 266 W HN 0.062 nan 8.180 nan 0.000 0.515 267 A N 0.713 123.627 122.820 0.156 0.000 1.972 267 A HA -0.243 4.077 4.320 -0.001 0.000 0.219 267 A C 1.995 179.641 177.584 0.103 0.000 1.169 267 A CA 2.284 54.363 52.037 0.070 0.000 0.635 267 A CB -1.322 17.634 19.000 -0.074 0.000 0.810 267 A HN 0.388 nan 8.150 nan 0.000 0.446 268 S N 0.270 116.009 115.700 0.065 0.000 2.493 268 S HA -0.252 4.217 4.470 -0.001 0.000 0.243 268 S C 1.580 176.201 174.600 0.035 0.000 0.991 268 S CA 1.405 59.637 58.200 0.053 0.000 0.957 268 S CB -0.681 62.539 63.200 0.034 0.000 0.756 268 S HN 0.756 nan 8.310 nan 0.000 0.521 269 Q N -0.587 119.238 119.800 0.042 0.000 2.435 269 Q HA 0.313 4.653 4.340 -0.001 0.000 0.207 269 Q C 1.413 177.503 176.000 0.149 0.000 0.956 269 Q CA 0.802 56.667 55.803 0.104 0.000 0.917 269 Q CB -0.124 28.716 28.738 0.170 0.000 0.997 269 Q HN 0.658 nan 8.270 nan 0.000 0.497 270 I N -2.243 118.365 120.570 0.063 0.000 4.983 270 I HA 0.099 4.269 4.170 -0.001 0.000 0.346 270 I C -0.949 175.034 176.117 -0.224 0.000 1.261 270 I CA -0.296 60.922 61.300 -0.137 0.000 1.406 270 I CB 1.094 38.853 38.000 -0.402 0.000 1.529 270 I HN -0.075 nan 8.210 nan 0.000 0.524 271 Y N 4.619 124.857 120.300 -0.103 0.000 2.594 271 Y HA 0.460 5.010 4.550 0.001 0.000 0.342 271 Y C -2.104 173.743 175.900 -0.089 0.000 1.010 271 Y CA -2.728 55.316 58.100 -0.093 0.000 1.270 271 Y CB 0.225 38.648 38.460 -0.061 0.000 1.125 271 Y HN 0.044 nan 8.280 nan 0.000 0.513 272 P HA 0.120 nan 4.420 nan 0.000 0.267 272 P C 0.804 178.097 177.300 -0.013 0.000 1.205 272 P CA 0.666 63.742 63.100 -0.041 0.000 0.765 272 P CB 1.120 32.770 31.700 -0.083 0.000 0.828 273 G N 2.687 111.476 108.800 -0.018 0.000 2.144 273 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 273 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 273 G C 0.055 174.948 174.900 -0.011 0.000 0.988 273 G CA -0.572 44.518 45.100 -0.017 0.000 0.659 273 G HN 0.493 nan 8.290 nan 0.000 0.522 274 I N 1.285 121.854 120.570 -0.000 0.000 2.517 274 I HA 0.218 4.388 4.170 -0.001 0.000 0.285 274 I C 0.780 176.888 176.117 -0.015 0.000 1.106 274 I CA 0.580 61.876 61.300 -0.007 0.000 1.402 274 I CB 0.676 38.678 38.000 0.004 0.000 1.399 274 I HN 0.078 nan 8.210 nan 0.000 0.535 275 K N 4.558 124.940 120.400 -0.030 0.000 2.156 275 K HA 0.510 4.829 4.320 -0.001 0.000 0.254 275 K C 0.034 176.609 176.600 -0.042 0.000 0.950 275 K CA -0.448 55.817 56.287 -0.037 0.000 0.849 275 K CB 2.778 35.249 32.500 -0.049 0.000 1.100 275 K HN 0.353 nan 8.250 nan 0.000 0.434 276 V N 3.387 123.277 119.914 -0.040 0.000 3.537 276 V HA 0.020 4.139 4.120 -0.001 0.000 0.315 276 V C 1.342 177.408 176.094 -0.048 0.000 1.541 276 V CA 0.004 62.278 62.300 -0.045 0.000 1.160 276 V CB 0.205 32.013 31.823 -0.026 0.000 0.998 276 V HN 0.737 nan 8.190 nan 0.000 0.473 277 R N -0.168 120.302 120.500 -0.049 0.000 2.073 277 R HA -0.086 4.254 4.340 -0.001 0.000 0.229 277 R C 1.749 178.015 176.300 -0.056 0.000 1.120 277 R CA 1.488 57.559 56.100 -0.049 0.000 0.967 277 R CB -0.003 30.268 30.300 -0.049 0.000 0.862 277 R HN 0.414 nan 8.270 nan 0.000 0.436 278 Q N 0.772 120.533 119.800 -0.065 0.000 2.079 278 Q HA -0.048 4.291 4.340 -0.001 0.000 0.200 278 Q C 2.150 178.099 176.000 -0.085 0.000 0.974 278 Q CA 0.899 56.659 55.803 -0.072 0.000 0.840 278 Q CB -0.288 28.404 28.738 -0.077 0.000 0.898 278 Q HN 0.275 nan 8.270 nan 0.000 0.430 279 L N -0.351 120.811 121.223 -0.101 0.000 2.083 279 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 279 L C 2.411 179.227 176.870 -0.090 0.000 1.083 279 L CA 1.160 55.925 54.840 -0.126 0.000 0.752 279 L CB -1.298 40.675 42.059 -0.143 0.000 0.899 279 L HN 0.283 nan 8.230 nan 0.000 0.433 280 C N -0.254 119.007 119.300 -0.066 0.000 2.457 280 C HA -0.121 4.338 4.460 -0.001 0.000 0.278 280 C C 2.686 177.653 174.990 -0.039 0.000 1.309 280 C CA 0.294 59.285 59.018 -0.045 0.000 1.735 280 C CB -0.405 27.314 27.740 -0.036 0.000 1.992 280 C HN 0.478 nan 8.230 nan 0.000 0.493 281 K N 0.751 121.126 120.400 -0.042 0.000 2.152 281 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 281 K C 1.695 178.277 176.600 -0.030 0.000 1.048 281 K CA 1.179 57.446 56.287 -0.034 0.000 0.933 281 K CB -0.294 32.184 32.500 -0.037 0.000 0.721 281 K HN 0.521 nan 8.250 nan 0.000 0.447 282 L N 0.891 122.091 121.223 -0.039 0.000 2.017 282 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 282 L C 2.281 179.141 176.870 -0.017 0.000 1.073 282 L CA 1.170 55.992 54.840 -0.031 0.000 0.745 282 L CB -0.674 41.358 42.059 -0.045 0.000 0.894 282 L HN 0.188 nan 8.230 nan 0.000 0.432 283 L N 0.422 121.634 121.223 -0.018 0.000 2.349 283 L HA -0.150 4.189 4.340 -0.001 0.000 0.220 283 L C 1.394 178.261 176.870 -0.005 0.000 1.130 283 L CA 0.259 55.095 54.840 -0.008 0.000 0.791 283 L CB -0.799 41.255 42.059 -0.009 0.000 0.918 283 L HN 0.401 nan 8.230 nan 0.000 0.444 284 R N 0.756 121.251 120.500 -0.008 0.000 2.473 284 R HA 0.130 4.469 4.340 -0.001 0.000 0.315 284 R C 1.085 177.384 176.300 -0.001 0.000 0.972 284 R CA 0.721 56.818 56.100 -0.005 0.000 1.047 284 R CB -0.140 30.155 30.300 -0.008 0.000 0.932 284 R HN 0.195 nan 8.270 nan 0.000 0.411 285 G N 1.697 110.498 108.800 0.001 0.000 2.284 285 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.261 285 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.261 285 G C 0.494 175.398 174.900 0.005 0.000 0.997 285 G CA 0.481 45.583 45.100 0.003 0.000 0.621 285 G HN 1.006 nan 8.290 nan 0.000 0.534 286 T N 0.850 115.407 114.554 0.006 0.000 2.087 286 T HA -0.100 4.250 4.350 -0.001 0.000 0.351 286 T C 1.572 176.278 174.700 0.010 0.000 1.000 286 T CA 1.725 63.831 62.100 0.009 0.000 1.895 286 T CB 0.190 69.064 68.868 0.010 0.000 1.211 286 T HN 0.626 nan 8.240 nan 0.000 0.390 287 K N 2.808 123.216 120.400 0.012 0.000 2.174 287 K HA 0.569 4.889 4.320 -0.001 0.000 0.186 287 K C 0.985 177.592 176.600 0.012 0.000 1.082 287 K CA 0.927 57.221 56.287 0.012 0.000 1.067 287 K CB -0.680 31.828 32.500 0.014 0.000 1.449 287 K HN 0.843 nan 8.250 nan 0.000 0.474 288 A N 0.317 123.145 122.820 0.013 0.000 2.242 288 A HA 0.305 4.625 4.320 -0.001 0.000 0.304 288 A C 1.293 178.887 177.584 0.015 0.000 1.100 288 A CA -0.451 51.593 52.037 0.012 0.000 0.860 288 A CB 0.037 19.043 19.000 0.010 0.000 1.168 288 A HN 0.456 nan 8.150 nan 0.000 0.503 289 L N -0.070 121.161 121.223 0.013 0.000 2.046 289 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 289 L C 2.309 179.190 176.870 0.018 0.000 1.077 289 L CA 2.385 57.234 54.840 0.015 0.000 0.747 289 L CB -0.324 41.741 42.059 0.010 0.000 0.896 289 L HN 0.991 nan 8.230 nan 0.000 0.432 290 T N -3.614 110.948 114.554 0.013 0.000 3.122 290 T HA 0.018 4.368 4.350 -0.001 0.000 0.250 290 T C 0.492 175.201 174.700 0.015 0.000 1.067 290 T CA -0.420 61.687 62.100 0.011 0.000 0.966 290 T CB -0.121 68.749 68.868 0.003 0.000 1.002 290 T HN 0.289 nan 8.240 nan 0.000 0.542 291 E N 1.869 122.081 120.200 0.021 0.000 2.180 291 E HA 0.355 4.704 4.350 -0.001 0.000 0.283 291 E C -0.476 176.146 176.600 0.037 0.000 1.061 291 E CA -0.595 55.819 56.400 0.024 0.000 0.861 291 E CB 0.712 30.425 29.700 0.021 0.000 1.056 291 E HN 0.099 nan 8.360 nan 0.000 0.407 292 V N 6.593 126.530 119.914 0.038 0.000 2.585 292 V HA 0.088 4.208 4.120 -0.001 0.000 0.296 292 V C 0.345 176.479 176.094 0.067 0.000 1.035 292 V CA -0.011 62.324 62.300 0.059 0.000 1.084 292 V CB 0.262 32.112 31.823 0.044 0.000 0.953 292 V HN 0.677 nan 8.190 nan 0.000 0.483 293 I N 6.707 127.336 120.570 0.097 0.000 2.378 293 I HA 0.397 4.566 4.170 -0.001 0.000 0.291 293 I C -2.502 173.671 176.117 0.092 0.000 0.992 293 I CA -2.316 59.029 61.300 0.075 0.000 1.154 293 I CB 1.760 39.791 38.000 0.053 0.000 1.315 293 I HN 0.406 nan 8.210 nan 0.000 0.448 294 P HA 0.167 nan 4.420 nan 0.000 0.271 294 P C -0.231 177.088 177.300 0.031 0.000 1.233 294 P CA -0.316 62.821 63.100 0.061 0.000 0.764 294 P CB 0.478 32.201 31.700 0.038 0.000 0.825 295 L N 3.298 124.541 121.223 0.033 0.000 2.597 295 L HA 0.012 4.351 4.340 -0.001 0.000 0.271 295 L C 1.272 178.119 176.870 -0.038 0.000 1.157 295 L CA 0.756 55.568 54.840 -0.047 0.000 0.928 295 L CB -0.260 41.748 42.059 -0.085 0.000 1.216 295 L HN 0.440 nan 8.230 nan 0.000 0.481 296 T N 2.670 117.193 114.554 -0.051 0.000 2.855 296 T HA -0.081 4.269 4.350 -0.001 0.000 0.322 296 T C 1.352 176.026 174.700 -0.044 0.000 1.088 296 T CA 0.037 62.113 62.100 -0.040 0.000 1.104 296 T CB 0.591 69.432 68.868 -0.044 0.000 0.996 296 T HN 0.652 nan 8.240 nan 0.000 0.549 297 E N 1.175 121.355 120.200 -0.033 0.000 2.152 297 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 297 E C 1.727 178.302 176.600 -0.041 0.000 0.983 297 E CA 1.018 57.399 56.400 -0.032 0.000 0.818 297 E CB 0.190 29.877 29.700 -0.021 0.000 0.758 297 E HN 0.589 nan 8.360 nan 0.000 0.467 298 E N 0.474 120.646 120.200 -0.045 0.000 2.106 298 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 298 E C 1.789 178.349 176.600 -0.067 0.000 0.984 298 E CA 1.069 57.438 56.400 -0.052 0.000 0.806 298 E CB -0.277 29.392 29.700 -0.050 0.000 0.750 298 E HN 0.237 nan 8.360 nan 0.000 0.458 299 A N 1.195 123.968 122.820 -0.078 0.000 1.930 299 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 299 A C 2.018 179.528 177.584 -0.124 0.000 1.175 299 A CA 1.230 53.200 52.037 -0.111 0.000 0.627 299 A CB -0.292 18.632 19.000 -0.128 0.000 0.815 299 A HN 0.038 nan 8.150 nan 0.000 0.443 300 E N -0.095 120.048 120.200 -0.095 0.000 2.110 300 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 300 E C 1.966 178.528 176.600 -0.064 0.000 0.988 300 E CA 0.881 57.234 56.400 -0.077 0.000 0.804 300 E CB -0.295 29.380 29.700 -0.041 0.000 0.745 300 E HN 0.660 nan 8.360 nan 0.000 0.458 301 L N 0.378 121.566 121.223 -0.058 0.000 2.179 301 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 301 L C 2.501 179.336 176.870 -0.058 0.000 1.096 301 L CA 0.852 55.663 54.840 -0.050 0.000 0.779 301 L CB -0.103 41.930 42.059 -0.043 0.000 0.922 301 L HN 0.102 nan 8.230 nan 0.000 0.443 302 E N 0.357 120.513 120.200 -0.073 0.000 2.028 302 E HA -0.222 4.128 4.350 -0.001 0.000 0.190 302 E C 2.334 178.884 176.600 -0.084 0.000 0.984 302 E CA 0.766 57.120 56.400 -0.077 0.000 0.800 302 E CB -0.005 29.643 29.700 -0.086 0.000 0.758 302 E HN 0.361 nan 8.360 nan 0.000 0.448 303 L N 0.503 121.659 121.223 -0.111 0.000 2.081 303 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 303 L C 2.384 179.210 176.870 -0.072 0.000 1.080 303 L CA 1.631 56.399 54.840 -0.121 0.000 0.754 303 L CB -0.431 41.520 42.059 -0.181 0.000 0.893 303 L HN 0.250 nan 8.230 nan 0.000 0.433 304 A N -0.591 122.195 122.820 -0.056 0.000 1.855 304 A HA -0.279 4.041 4.320 -0.001 0.000 0.215 304 A C 2.163 179.728 177.584 -0.032 0.000 1.191 304 A CA 1.703 53.721 52.037 -0.033 0.000 0.613 304 A CB -0.649 18.335 19.000 -0.026 0.000 0.829 304 A HN 0.545 nan 8.150 nan 0.000 0.442 305 E N -0.199 119.978 120.200 -0.038 0.000 2.118 305 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 305 E C 1.737 178.317 176.600 -0.034 0.000 0.992 305 E CA 1.300 57.680 56.400 -0.034 0.000 0.804 305 E CB -0.118 29.559 29.700 -0.039 0.000 0.741 305 E HN 0.553 nan 8.360 nan 0.000 0.458 306 N N 0.538 119.211 118.700 -0.044 0.000 2.106 306 N HA -0.126 4.614 4.740 -0.001 0.000 0.188 306 N C 1.771 177.252 175.510 -0.048 0.000 1.029 306 N CA 0.893 53.914 53.050 -0.050 0.000 0.848 306 N CB -0.251 38.197 38.487 -0.064 0.000 1.007 306 N HN 0.182 nan 8.380 nan 0.000 0.423 307 R N 0.714 121.191 120.500 -0.039 0.000 2.105 307 R HA -0.153 4.186 4.340 -0.001 0.000 0.239 307 R C 1.899 178.188 176.300 -0.018 0.000 1.135 307 R CA 1.137 57.221 56.100 -0.027 0.000 0.967 307 R CB -0.185 30.109 30.300 -0.009 0.000 0.861 307 R HN 0.263 nan 8.270 nan 0.000 0.442 308 E N 1.236 121.428 120.200 -0.013 0.000 2.047 308 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 308 E C 1.878 178.485 176.600 0.010 0.000 0.987 308 E CA 1.168 57.566 56.400 -0.003 0.000 0.799 308 E CB -0.138 29.558 29.700 -0.007 0.000 0.752 308 E HN 0.260 nan 8.360 nan 0.000 0.449 309 I N 0.363 120.939 120.570 0.010 0.000 2.208 309 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 309 I C 2.296 178.476 176.117 0.105 0.000 1.097 309 I CA 1.131 62.463 61.300 0.054 0.000 1.363 309 I CB -0.580 37.448 38.000 0.046 0.000 1.051 309 I HN 0.153 nan 8.210 nan 0.000 0.413 310 L N 0.432 121.644 121.223 -0.017 0.000 2.217 310 L HA -0.071 4.269 4.340 -0.001 0.000 0.211 310 L C 1.091 177.976 176.870 0.026 0.000 1.107 310 L CA 0.592 55.365 54.840 -0.112 0.000 0.783 310 L CB -0.415 41.511 42.059 -0.221 0.000 0.919 310 L HN 0.076 nan 8.230 nan 0.000 0.442 311 K N 1.773 122.191 120.400 0.029 0.000 2.447 311 K HA -0.008 4.312 4.320 -0.001 0.000 0.281 311 K C 0.062 176.704 176.600 0.070 0.000 1.031 311 K CA 0.458 56.768 56.287 0.038 0.000 1.019 311 K CB 0.153 32.666 32.500 0.021 0.000 0.918 311 K HN 0.111 nan 8.250 nan 0.000 0.476 312 E N 2.125 122.368 120.200 0.071 0.000 7.817 312 E HA -0.102 4.247 4.350 -0.001 0.000 0.463 312 E C -3.014 173.660 176.600 0.125 0.000 0.621 312 E CA -0.533 55.909 56.400 0.069 0.000 1.169 312 E CB -0.866 28.857 29.700 0.039 0.000 0.974 312 E HN 0.321 nan 8.360 nan 0.000 0.262 313 P HA 0.492 nan 4.420 nan 0.000 0.296 313 P C -0.810 176.438 177.300 -0.086 0.000 1.301 313 P CA -0.663 62.485 63.100 0.080 0.000 0.862 313 P CB 1.467 33.203 31.700 0.061 0.000 1.046 314 V N 3.365 123.074 119.914 -0.342 0.000 2.581 314 V HA 0.501 4.621 4.120 -0.001 0.000 0.303 314 V C 0.153 175.957 176.094 -0.483 0.000 1.041 314 V CA -0.544 61.417 62.300 -0.564 0.000 0.907 314 V CB 1.427 32.653 31.823 -0.994 0.000 0.994 314 V HN 0.716 nan 8.190 nan 0.000 0.442 315 H N 1.598 120.387 119.070 -0.468 0.000 2.894 315 H HA 0.835 5.391 4.556 0.000 0.000 0.368 315 H C -0.470 174.478 175.328 -0.632 0.000 1.181 315 H CA -0.704 55.032 56.048 -0.520 0.000 1.146 315 H CB 2.496 32.020 29.762 -0.398 0.000 1.839 315 H HN 0.790 nan 8.280 nan 0.000 0.557 316 G N 0.460 108.741 108.800 -0.865 0.000 2.473 316 G HA2 0.505 4.465 3.960 -0.001 0.000 0.321 316 G HA3 0.505 4.465 3.960 -0.001 0.000 0.321 316 G C -0.073 174.509 174.900 -0.530 0.000 1.200 316 G CA -0.286 44.263 45.100 -0.918 0.000 0.963 316 G HN 0.725 nan 8.290 nan 0.000 0.483 317 V N -1.105 118.699 119.914 -0.183 0.000 3.463 317 V HA 0.758 4.877 4.120 -0.001 0.000 0.302 317 V C -0.420 175.721 176.094 0.079 0.000 1.097 317 V CA -1.164 61.093 62.300 -0.071 0.000 1.003 317 V CB 0.938 32.779 31.823 0.030 0.000 1.229 317 V HN 0.573 nan 8.190 nan 0.000 0.444 318 Y N -0.814 119.682 120.300 0.327 0.000 2.565 318 Y HA 0.553 5.101 4.550 -0.004 0.000 0.325 318 Y C -0.345 175.754 175.900 0.333 0.000 1.221 318 Y CA -0.959 57.348 58.100 0.346 0.000 1.316 318 Y CB 0.735 39.346 38.460 0.251 0.000 1.404 318 Y HN 0.707 nan 8.280 nan 0.000 0.527 319 Y N 1.855 122.403 120.300 0.414 0.000 2.404 319 Y HA 0.276 4.827 4.550 0.002 0.000 0.344 319 Y C -0.650 175.352 175.900 0.169 0.000 0.970 319 Y CA -1.443 56.820 58.100 0.272 0.000 1.180 319 Y CB 0.259 38.965 38.460 0.411 0.000 1.138 319 Y HN 0.487 nan 8.280 nan 0.000 0.510 320 D N 8.680 128.867 120.400 -0.355 0.000 2.347 320 D HA 0.258 4.897 4.640 -0.001 0.000 0.235 320 D C -2.144 173.667 176.300 -0.815 0.000 1.149 320 D CA -2.625 51.126 54.000 -0.414 0.000 0.850 320 D CB 1.894 42.584 40.800 -0.184 0.000 1.061 320 D HN 0.340 nan 8.370 nan 0.000 0.487 321 P HA -0.094 nan 4.420 nan 0.000 0.228 321 P C 0.951 178.111 177.300 -0.234 0.000 1.151 321 P CA 0.860 63.619 63.100 -0.568 0.000 0.770 321 P CB 0.253 31.834 31.700 -0.199 0.000 0.786 322 S N -1.993 113.586 115.700 -0.202 0.000 2.421 322 S HA 0.065 4.534 4.470 -0.001 0.000 0.224 322 S C 0.985 175.529 174.600 -0.094 0.000 1.035 322 S CA 0.157 58.293 58.200 -0.106 0.000 0.953 322 S CB -0.495 62.656 63.200 -0.082 0.000 0.810 322 S HN 0.088 nan 8.310 nan 0.000 0.497 323 K N 1.582 121.908 120.400 -0.123 0.000 2.149 323 K HA 0.293 4.613 4.320 -0.001 0.000 0.245 323 K C -0.528 176.024 176.600 -0.080 0.000 1.024 323 K CA -0.487 55.746 56.287 -0.091 0.000 0.899 323 K CB 0.172 32.620 32.500 -0.087 0.000 1.038 323 K HN 0.100 nan 8.250 nan 0.000 0.496 324 D N 0.192 120.547 120.400 -0.075 0.000 2.425 324 D HA 0.362 5.002 4.640 -0.001 0.000 0.274 324 D C -0.429 175.786 176.300 -0.141 0.000 1.242 324 D CA -0.243 53.704 54.000 -0.089 0.000 1.060 324 D CB 0.511 41.254 40.800 -0.096 0.000 1.112 324 D HN 0.177 nan 8.370 nan 0.000 0.561 325 L N 0.943 122.036 121.223 -0.217 0.000 2.409 325 L HA 0.358 4.698 4.340 -0.001 0.000 0.272 325 L C -1.102 175.518 176.870 -0.418 0.000 0.980 325 L CA -0.761 53.860 54.840 -0.365 0.000 0.826 325 L CB 1.781 43.557 42.059 -0.472 0.000 1.268 325 L HN 0.138 nan 8.230 nan 0.000 0.407 326 I N 3.081 123.319 120.570 -0.553 0.000 2.362 326 I HA 0.526 4.695 4.170 -0.001 0.000 0.289 326 I C 0.266 175.970 176.117 -0.689 0.000 0.994 326 I CA -0.775 60.138 61.300 -0.646 0.000 1.158 326 I CB 1.488 39.041 38.000 -0.746 0.000 1.315 326 I HN 0.528 nan 8.210 nan 0.000 0.451 327 A N 6.499 128.990 122.820 -0.549 0.000 2.288 327 A HA 0.686 5.005 4.320 -0.001 0.000 0.320 327 A C -0.133 177.393 177.584 -0.096 0.000 1.217 327 A CA -0.548 51.270 52.037 -0.365 0.000 0.840 327 A CB 0.783 19.408 19.000 -0.625 0.000 1.179 327 A HN 0.717 nan 8.150 nan 0.000 0.504 328 E N 2.021 122.253 120.200 0.053 0.000 2.187 328 E HA 0.561 4.910 4.350 -0.001 0.000 0.268 328 E C -1.156 175.571 176.600 0.212 0.000 0.896 328 E CA -0.360 56.130 56.400 0.149 0.000 0.766 328 E CB 2.085 31.896 29.700 0.185 0.000 1.142 328 E HN 0.644 nan 8.360 nan 0.000 0.408 329 I N 2.032 122.720 120.570 0.197 0.000 2.603 329 I HA 0.313 4.483 4.170 -0.001 0.000 0.300 329 I C -0.584 175.666 176.117 0.221 0.000 1.017 329 I CA -0.808 60.631 61.300 0.233 0.000 1.098 329 I CB 1.825 39.923 38.000 0.164 0.000 1.279 329 I HN 0.348 nan 8.210 nan 0.000 0.437 330 Q N 3.521 123.479 119.800 0.264 0.000 2.345 330 Q HA 0.374 4.713 4.340 -0.001 0.000 0.275 330 Q C -1.042 175.039 176.000 0.134 0.000 1.063 330 Q CA -0.930 54.978 55.803 0.176 0.000 0.819 330 Q CB 2.787 31.569 28.738 0.073 0.000 1.356 330 Q HN 0.374 nan 8.270 nan 0.000 0.418 331 K N 1.727 122.080 120.400 -0.079 0.000 2.285 331 K HA 0.153 4.473 4.320 -0.001 0.000 0.286 331 K C 0.026 176.394 176.600 -0.387 0.000 1.072 331 K CA 0.188 56.120 56.287 -0.592 0.000 0.913 331 K CB 0.665 32.752 32.500 -0.688 0.000 1.067 331 K HN 0.681 nan 8.250 nan 0.000 0.479 332 Q N 2.456 122.015 119.800 -0.401 0.000 2.398 332 Q HA 0.099 4.438 4.340 -0.001 0.000 0.204 332 Q C 0.511 176.366 176.000 -0.243 0.000 0.932 332 Q CA 0.600 56.261 55.803 -0.236 0.000 0.916 332 Q CB 0.537 29.180 28.738 -0.159 0.000 1.024 332 Q HN 1.052 nan 8.270 nan 0.000 0.504 333 G N 0.082 108.671 108.800 -0.352 0.000 2.250 333 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.196 333 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.196 333 G C -1.233 173.516 174.900 -0.251 0.000 1.308 333 G CA -0.895 44.049 45.100 -0.260 0.000 1.207 333 G HN 0.152 nan 8.290 nan 0.000 0.505 334 Q N 1.227 120.934 119.800 -0.156 0.000 1.642 334 Q HA 0.107 4.447 4.340 -0.001 0.000 0.151 334 Q C 1.511 177.462 176.000 -0.081 0.000 0.769 334 Q CA 1.431 57.171 55.803 -0.105 0.000 1.124 334 Q CB -1.470 27.219 28.738 -0.081 0.000 1.389 334 Q HN 2.418 nan 8.270 nan 0.000 0.267 335 G N 1.396 110.156 108.800 -0.067 0.000 2.283 335 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.280 335 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.280 335 G C -0.167 174.761 174.900 0.047 0.000 1.029 335 G CA 0.292 45.441 45.100 0.082 0.000 0.840 335 G HN 0.552 nan 8.290 nan 0.000 0.505 336 Q N -1.258 118.402 119.800 -0.232 0.000 2.333 336 Q HA 0.589 4.928 4.340 -0.001 0.000 0.268 336 Q C -0.646 175.078 176.000 -0.461 0.000 1.007 336 Q CA -0.755 54.941 55.803 -0.179 0.000 0.810 336 Q CB 1.298 29.950 28.738 -0.144 0.000 1.264 336 Q HN 0.397 nan 8.270 nan 0.000 0.452 337 W N 0.594 121.966 121.300 0.120 0.000 2.799 337 W HA 0.645 5.305 4.660 -0.001 0.000 0.349 337 W C -0.134 176.482 176.519 0.160 0.000 1.100 337 W CA -0.693 56.744 57.345 0.154 0.000 1.174 337 W CB 1.975 31.569 29.460 0.223 0.000 1.427 337 W HN 0.287 nan 8.180 nan 0.000 0.547 338 T N 1.586 116.351 114.554 0.352 0.000 2.993 338 T HA 0.572 4.922 4.350 -0.001 0.000 0.312 338 T C -1.747 173.116 174.700 0.271 0.000 1.115 338 T CA -0.531 61.696 62.100 0.211 0.000 1.027 338 T CB 0.398 69.307 68.868 0.069 0.000 1.116 338 T HN 0.314 nan 8.240 nan 0.000 0.464 339 Y N 1.854 122.240 120.300 0.144 0.000 2.576 339 Y HA 0.886 5.435 4.550 -0.001 0.000 0.346 339 Y C -0.993 174.967 175.900 0.100 0.000 1.018 339 Y CA -1.256 56.919 58.100 0.125 0.000 1.050 339 Y CB 1.379 39.921 38.460 0.137 0.000 1.280 339 Y HN 0.430 nan 8.280 nan 0.000 0.474 340 Q N 2.534 122.466 119.800 0.220 0.000 2.372 340 Q HA 0.675 5.014 4.340 -0.001 0.000 0.273 340 Q C -1.428 174.687 176.000 0.192 0.000 1.078 340 Q CA -0.586 55.306 55.803 0.148 0.000 0.806 340 Q CB 3.203 32.019 28.738 0.129 0.000 1.332 340 Q HN 0.743 nan 8.270 nan 0.000 0.435 341 I N 3.239 123.910 120.570 0.167 0.000 2.418 341 I HA 0.514 4.684 4.170 -0.001 0.000 0.287 341 I C -1.141 174.998 176.117 0.037 0.000 1.008 341 I CA -1.112 60.203 61.300 0.025 0.000 1.104 341 I CB 0.646 38.699 38.000 0.087 0.000 1.264 341 I HN 0.668 nan 8.210 nan 0.000 0.438 342 Y N 3.435 123.707 120.300 -0.047 0.000 2.615 342 Y HA 0.516 5.066 4.550 -0.001 0.000 0.341 342 Y C 0.047 175.887 175.900 -0.101 0.000 1.089 342 Y CA -0.950 57.123 58.100 -0.044 0.000 1.049 342 Y CB 1.244 39.715 38.460 0.018 0.000 1.296 342 Y HN 0.440 nan 8.280 nan 0.000 0.470 343 Q N 0.251 120.141 119.800 0.150 0.000 2.462 343 Q HA 0.105 4.444 4.340 -0.001 0.000 0.224 343 Q C -0.499 175.599 176.000 0.164 0.000 0.911 343 Q CA 0.444 56.271 55.803 0.040 0.000 0.925 343 Q CB 0.844 29.578 28.738 -0.007 0.000 1.063 343 Q HN 0.782 nan 8.270 nan 0.000 0.572 344 E N 1.926 122.232 120.200 0.176 0.000 2.133 344 E HA 0.213 4.563 4.350 -0.001 0.000 0.274 344 E C -2.536 173.999 176.600 -0.108 0.000 0.930 344 E CA -2.598 53.829 56.400 0.045 0.000 0.770 344 E CB 1.278 30.966 29.700 -0.019 0.000 1.104 344 E HN -0.209 nan 8.360 nan 0.000 0.403 345 P HA -0.165 nan 4.420 nan 0.000 0.241 345 P C -0.943 175.803 177.300 -0.924 0.000 1.093 345 P CA 0.909 63.414 63.100 -0.992 0.000 0.843 345 P CB -0.196 30.991 31.700 -0.855 0.000 0.760 346 F N 0.760 120.111 119.950 -0.999 0.000 2.628 346 F HA -0.204 4.323 4.527 -0.001 0.000 0.319 346 F C 0.590 176.201 175.800 -0.315 0.000 0.645 346 F CA 0.176 57.849 58.000 -0.545 0.000 1.499 346 F CB -2.256 36.526 39.000 -0.364 0.000 1.900 346 F HN 0.325 nan 8.300 nan 0.000 0.308 347 K N 1.742 122.087 120.400 -0.091 0.000 2.432 347 K HA 0.276 4.595 4.320 -0.001 0.000 0.226 347 K C 0.169 176.779 176.600 0.016 0.000 1.057 347 K CA -0.590 55.661 56.287 -0.059 0.000 1.034 347 K CB 0.494 32.968 32.500 -0.042 0.000 1.561 347 K HN -0.044 nan 8.250 nan 0.000 0.492 348 N N 1.970 120.666 118.700 -0.006 0.000 2.412 348 N HA -0.032 4.708 4.740 -0.001 0.000 0.254 348 N C 1.080 176.627 175.510 0.063 0.000 1.232 348 N CA 0.081 53.171 53.050 0.067 0.000 0.880 348 N CB 0.710 39.190 38.487 -0.012 0.000 1.076 348 N HN 0.273 nan 8.380 nan 0.000 0.458 349 L N 1.611 122.946 121.223 0.187 0.000 2.162 349 L HA 0.088 4.428 4.340 -0.001 0.000 0.205 349 L C 0.949 178.113 176.870 0.491 0.000 1.086 349 L CA 1.278 56.330 54.840 0.353 0.000 0.778 349 L CB -0.265 42.031 42.059 0.394 0.000 0.928 349 L HN 0.694 nan 8.230 nan 0.000 0.446 350 K N -2.181 118.436 120.400 0.361 0.000 2.642 350 K HA 0.511 4.830 4.320 -0.001 0.000 0.290 350 K C -0.798 175.902 176.600 0.166 0.000 1.006 350 K CA -0.449 56.049 56.287 0.352 0.000 0.869 350 K CB 1.477 34.254 32.500 0.462 0.000 1.499 350 K HN -0.116 nan 8.250 nan 0.000 0.403 351 T N -1.971 112.615 114.554 0.055 0.000 2.718 351 T HA 0.940 5.289 4.350 -0.001 0.000 0.267 351 T C 0.324 174.807 174.700 -0.361 0.000 0.957 351 T CA -0.351 61.663 62.100 -0.144 0.000 1.025 351 T CB 1.550 70.341 68.868 -0.127 0.000 1.355 351 T HN 1.244 nan 8.240 nan 0.000 0.572 352 G N -0.223 108.189 108.800 -0.647 0.000 2.324 352 G HA2 0.507 4.467 3.960 -0.001 0.000 0.293 352 G HA3 0.507 4.467 3.960 -0.001 0.000 0.293 352 G C -2.151 172.420 174.900 -0.550 0.000 1.297 352 G CA -0.567 44.145 45.100 -0.647 0.000 0.853 352 G HN 1.014 nan 8.290 nan 0.000 0.535 353 K N -1.412 118.952 120.400 -0.059 0.000 2.532 353 K HA 0.708 5.028 4.320 -0.001 0.000 0.265 353 K C -2.181 174.667 176.600 0.414 0.000 0.948 353 K CA -1.118 55.287 56.287 0.196 0.000 0.842 353 K CB 2.812 35.373 32.500 0.102 0.000 1.392 353 K HN 0.832 nan 8.250 nan 0.000 0.436 354 Y N 0.579 121.078 120.300 0.331 0.000 2.391 354 Y HA 0.581 5.130 4.550 -0.001 0.000 0.341 354 Y C -0.560 175.523 175.900 0.306 0.000 0.965 354 Y CA -0.185 58.080 58.100 0.276 0.000 1.067 354 Y CB 2.179 40.762 38.460 0.205 0.000 1.199 354 Y HN 0.883 nan 8.280 nan 0.000 0.450 355 A N 4.974 127.517 122.820 -0.462 0.000 2.008 355 A HA 0.337 4.657 4.320 -0.001 0.000 0.201 355 A C 0.439 177.755 177.584 -0.447 0.000 1.794 355 A CA -0.236 51.649 52.037 -0.254 0.000 0.952 355 A CB -0.196 18.730 19.000 -0.124 0.000 1.147 355 A HN 0.707 nan 8.150 nan 0.000 0.589 356 R N -0.978 119.208 120.500 -0.523 0.000 3.216 356 R HA -0.198 4.141 4.340 -0.001 0.000 0.173 356 R C -0.482 175.752 176.300 -0.110 0.000 0.831 356 R CA 1.041 56.955 56.100 -0.310 0.000 0.863 356 R CB -0.146 29.980 30.300 -0.291 0.000 1.037 356 R HN 0.501 nan 8.270 nan 0.000 0.328 357 M N 5.633 125.215 119.600 -0.030 0.000 2.628 357 M HA 0.177 4.657 4.480 -0.001 0.000 0.327 357 M C -0.420 175.902 176.300 0.037 0.000 1.223 357 M CA 0.245 55.557 55.300 0.020 0.000 1.221 357 M CB 0.427 33.031 32.600 0.006 0.000 1.202 357 M HN 0.281 nan 8.290 nan 0.000 0.473 358 R N 3.296 123.840 120.500 0.074 0.000 2.309 358 R HA 0.565 4.905 4.340 -0.001 0.000 0.331 358 R C 0.274 176.617 176.300 0.072 0.000 1.116 358 R CA 0.675 56.824 56.100 0.082 0.000 0.970 358 R CB -0.252 30.117 30.300 0.114 0.000 1.024 358 R HN 1.014 nan 8.270 nan 0.000 0.472 359 G N 1.054 109.881 108.800 0.045 0.000 2.525 359 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.685 359 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.685 359 G C -0.024 174.835 174.900 -0.069 0.000 1.290 359 G CA -0.358 44.752 45.100 0.016 0.000 0.915 359 G HN 0.510 nan 8.290 nan 0.000 0.548 360 A N -0.770 121.912 122.820 -0.230 0.000 2.140 360 A HA 0.518 4.838 4.320 -0.001 0.000 0.209 360 A C 0.762 178.056 177.584 -0.485 0.000 1.181 360 A CA 1.455 53.247 52.037 -0.409 0.000 0.824 360 A CB 0.029 18.677 19.000 -0.587 0.000 0.879 360 A HN 1.088 nan 8.150 nan 0.000 0.480 361 H N -1.022 118.092 119.070 0.073 0.000 2.667 361 H HA 0.619 5.174 4.556 -0.001 0.000 0.353 361 H C -0.948 174.428 175.328 0.079 0.000 1.072 361 H CA -0.105 55.983 56.048 0.065 0.000 1.214 361 H CB 1.373 31.171 29.762 0.060 0.000 1.600 361 H HN 0.092 nan 8.280 nan 0.000 0.527 362 T N 1.664 116.309 114.554 0.152 0.000 2.681 362 T HA 0.402 4.751 4.350 -0.001 0.000 0.296 362 T C -1.171 173.559 174.700 0.050 0.000 1.157 362 T CA -0.815 61.342 62.100 0.096 0.000 1.025 362 T CB 1.869 70.784 68.868 0.078 0.000 1.441 362 T HN 0.877 nan 8.240 nan 0.000 0.504 363 N N -0.201 118.482 118.700 -0.027 0.000 2.647 363 N HA 0.436 5.176 4.740 -0.001 0.000 0.266 363 N C -0.124 175.356 175.510 -0.051 0.000 1.373 363 N CA -0.646 52.366 53.050 -0.063 0.000 0.807 363 N CB 0.406 38.780 38.487 -0.190 0.000 1.513 363 N HN 0.340 nan 8.380 nan 0.000 0.505 364 D N -0.294 120.131 120.400 0.041 0.000 2.144 364 D HA -0.080 4.560 4.640 -0.001 0.000 0.199 364 D C 1.651 177.891 176.300 -0.100 0.000 0.984 364 D CA 1.054 55.158 54.000 0.174 0.000 0.834 364 D CB -0.173 40.817 40.800 0.317 0.000 0.955 364 D HN 0.356 nan 8.370 nan 0.000 0.465 365 V N 1.079 120.793 119.914 -0.332 0.000 2.343 365 V HA -0.236 3.883 4.120 -0.001 0.000 0.247 365 V C 2.353 178.145 176.094 -0.503 0.000 1.051 365 V CA 1.518 63.498 62.300 -0.533 0.000 1.036 365 V CB -0.347 30.860 31.823 -1.026 0.000 0.654 365 V HN 0.186 nan 8.190 nan 0.000 0.451 366 K N -0.458 119.630 120.400 -0.519 0.000 2.057 366 K HA -0.179 4.141 4.320 -0.001 0.000 0.206 366 K C 2.344 178.800 176.600 -0.241 0.000 1.050 366 K CA 1.456 57.576 56.287 -0.279 0.000 0.935 366 K CB -0.193 32.200 32.500 -0.179 0.000 0.715 366 K HN 0.523 nan 8.250 nan 0.000 0.439 367 Q N 0.791 120.442 119.800 -0.248 0.000 2.046 367 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 367 Q C 2.264 177.768 176.000 -0.828 0.000 0.975 367 Q CA 0.925 56.527 55.803 -0.336 0.000 0.836 367 Q CB -0.083 28.619 28.738 -0.061 0.000 0.896 367 Q HN 0.325 nan 8.270 nan 0.000 0.428 368 L N 0.713 121.377 121.223 -0.931 0.000 2.013 368 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 368 L C 2.642 179.029 176.870 -0.806 0.000 1.073 368 L CA 2.013 56.227 54.840 -1.042 0.000 0.753 368 L CB -0.568 41.077 42.059 -0.689 0.000 0.890 368 L HN 0.395 nan 8.230 nan 0.000 0.432 369 T N -3.458 110.746 114.554 -0.583 0.000 3.035 369 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 369 T C 1.430 175.853 174.700 -0.461 0.000 1.109 369 T CA 1.084 62.883 62.100 -0.503 0.000 1.119 369 T CB -0.157 68.576 68.868 -0.225 0.000 0.900 369 T HN 0.475 nan 8.240 nan 0.000 0.503 370 E N 0.754 120.650 120.200 -0.506 0.000 2.122 370 E HA 0.196 4.545 4.350 -0.001 0.000 0.190 370 E C 2.551 178.669 176.600 -0.803 0.000 0.977 370 E CA 0.784 56.892 56.400 -0.487 0.000 0.820 370 E CB -0.185 29.310 29.700 -0.342 0.000 0.770 370 E HN 0.668 nan 8.360 nan 0.000 0.462 371 A N 0.961 123.111 122.820 -1.117 0.000 1.968 371 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 371 A C 2.423 179.597 177.584 -0.684 0.000 1.169 371 A CA 0.666 52.036 52.037 -1.112 0.000 0.638 371 A CB -0.424 17.981 19.000 -0.992 0.000 0.812 371 A HN 0.091 nan 8.150 nan 0.000 0.446 372 V N -0.055 119.433 119.914 -0.710 0.000 2.407 372 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 372 V C 2.758 178.564 176.094 -0.480 0.000 1.055 372 V CA 2.029 63.854 62.300 -0.792 0.000 1.049 372 V CB -0.551 30.587 31.823 -1.141 0.000 0.662 372 V HN 0.519 nan 8.190 nan 0.000 0.455 373 Q N -0.086 119.477 119.800 -0.395 0.000 2.083 373 Q HA -0.161 4.179 4.340 -0.001 0.000 0.198 373 Q C 2.343 178.253 176.000 -0.151 0.000 0.969 373 Q CA 1.362 57.039 55.803 -0.210 0.000 0.838 373 Q CB -0.511 28.131 28.738 -0.161 0.000 0.900 373 Q HN 0.564 nan 8.270 nan 0.000 0.436 374 K N 1.047 121.316 120.400 -0.218 0.000 2.097 374 K HA -0.115 4.205 4.320 -0.001 0.000 0.206 374 K C 1.937 178.463 176.600 -0.124 0.000 1.049 374 K CA 0.989 57.198 56.287 -0.130 0.000 0.933 374 K CB -0.199 32.229 32.500 -0.120 0.000 0.717 374 K HN 0.211 nan 8.250 nan 0.000 0.442 375 I N 1.061 121.507 120.570 -0.207 0.000 2.353 375 I HA -0.190 3.980 4.170 -0.001 0.000 0.248 375 I C 2.166 178.287 176.117 0.007 0.000 1.119 375 I CA 1.077 62.265 61.300 -0.185 0.000 1.417 375 I CB -0.331 37.504 38.000 -0.276 0.000 1.078 375 I HN 0.137 nan 8.210 nan 0.000 0.421 376 T N 0.245 114.845 114.554 0.076 0.000 2.652 376 T HA -0.189 4.161 4.350 -0.001 0.000 0.267 376 T C 1.938 176.674 174.700 0.060 0.000 1.039 376 T CA 2.204 64.374 62.100 0.115 0.000 1.153 376 T CB -0.466 68.466 68.868 0.107 0.000 0.863 376 T HN 0.350 nan 8.240 nan 0.000 0.428 377 T N 1.624 116.194 114.554 0.027 0.000 2.607 377 T HA -0.185 4.164 4.350 -0.001 0.000 0.267 377 T C 1.921 176.624 174.700 0.004 0.000 1.049 377 T CA 1.824 63.936 62.100 0.020 0.000 1.162 377 T CB -0.468 68.408 68.868 0.014 0.000 0.863 377 T HN 0.611 nan 8.240 nan 0.000 0.424 378 E N 0.829 121.024 120.200 -0.008 0.000 2.086 378 E HA -0.205 4.145 4.350 -0.001 0.000 0.200 378 E C 2.285 178.836 176.600 -0.081 0.000 1.012 378 E CA 1.821 58.196 56.400 -0.043 0.000 0.812 378 E CB -0.237 29.453 29.700 -0.017 0.000 0.743 378 E HN 0.387 nan 8.360 nan 0.000 0.453 379 S N 0.507 116.238 115.700 0.051 0.000 2.348 379 S HA -0.151 4.319 4.470 -0.001 0.000 0.221 379 S C 1.990 176.648 174.600 0.097 0.000 1.033 379 S CA 1.380 59.710 58.200 0.216 0.000 1.010 379 S CB -0.351 63.018 63.200 0.283 0.000 0.891 379 S HN 0.340 nan 8.310 nan 0.000 0.442 380 I N 1.504 122.109 120.570 0.058 0.000 2.194 380 I HA -0.174 3.995 4.170 -0.001 0.000 0.246 380 I C 2.238 178.340 176.117 -0.025 0.000 1.093 380 I CA 1.150 62.472 61.300 0.036 0.000 1.355 380 I CB -1.192 36.831 38.000 0.039 0.000 1.046 380 I HN 0.170 nan 8.210 nan 0.000 0.413 381 V N 1.690 121.562 119.914 -0.069 0.000 2.233 381 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 381 V C 2.424 178.392 176.094 -0.211 0.000 1.050 381 V CA 2.139 64.375 62.300 -0.108 0.000 1.010 381 V CB -0.403 31.364 31.823 -0.092 0.000 0.637 381 V HN 0.297 nan 8.190 nan 0.000 0.444 382 I N -1.482 118.831 120.570 -0.428 0.000 2.163 382 I HA -0.202 3.968 4.170 -0.001 0.000 0.240 382 I C 2.240 177.928 176.117 -0.714 0.000 1.081 382 I CA 1.728 62.577 61.300 -0.752 0.000 1.353 382 I CB -0.361 36.757 38.000 -1.470 0.000 1.054 382 I HN 0.397 nan 8.210 nan 0.000 0.407 383 W N 0.293 121.448 121.300 -0.241 0.000 3.107 383 W HA 0.353 5.012 4.660 -0.002 0.000 0.293 383 W C 1.542 177.965 176.519 -0.161 0.000 1.239 383 W CA 0.703 57.821 57.345 -0.378 0.000 1.653 383 W CB -0.434 28.635 29.460 -0.651 0.000 1.068 383 W HN 0.383 nan 8.180 nan 0.000 0.615 384 G N 2.236 111.077 108.800 0.068 0.000 2.148 384 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.254 384 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.254 384 G C 0.148 175.106 174.900 0.097 0.000 0.981 384 G CA 0.909 46.052 45.100 0.072 0.000 0.670 384 G HN 0.384 nan 8.290 nan 0.000 0.528 385 K N -1.300 119.175 120.400 0.124 0.000 2.575 385 K HA 0.691 5.011 4.320 -0.001 0.000 0.279 385 K C -0.356 176.300 176.600 0.094 0.000 0.969 385 K CA -0.364 55.984 56.287 0.102 0.000 0.868 385 K CB 1.038 33.599 32.500 0.101 0.000 1.457 385 K HN 0.563 nan 8.250 nan 0.000 0.426 386 T N -0.420 114.168 114.554 0.056 0.000 2.909 386 T HA 0.549 4.898 4.350 -0.001 0.000 0.286 386 T C -1.974 172.675 174.700 -0.084 0.000 1.002 386 T CA -1.400 60.713 62.100 0.021 0.000 1.074 386 T CB 1.002 69.909 68.868 0.065 0.000 0.984 386 T HN 0.530 nan 8.240 nan 0.000 0.495 387 P HA 0.396 nan 4.420 nan 0.000 0.279 387 P C -0.846 176.182 177.300 -0.453 0.000 1.276 387 P CA -0.835 62.020 63.100 -0.408 0.000 0.801 387 P CB 0.817 32.148 31.700 -0.615 0.000 1.127 388 K N 0.231 120.386 120.400 -0.408 0.000 2.156 388 K HA 0.436 4.756 4.320 -0.001 0.000 0.271 388 K C -0.430 175.944 176.600 -0.377 0.000 0.995 388 K CA -0.339 55.793 56.287 -0.259 0.000 0.890 388 K CB 0.593 32.997 32.500 -0.159 0.000 1.073 388 K HN 0.347 nan 8.250 nan 0.000 0.454 389 F N 1.578 121.492 119.950 -0.061 0.000 2.432 389 F HA 0.350 4.877 4.527 0.001 0.000 0.329 389 F C 0.526 176.338 175.800 0.020 0.000 1.076 389 F CA -0.579 57.388 58.000 -0.054 0.000 1.018 389 F CB 1.378 40.318 39.000 -0.099 0.000 1.201 389 F HN 0.089 nan 8.300 nan 0.000 0.489 390 K N 4.578 125.114 120.400 0.226 0.000 2.604 390 K HA 0.495 4.814 4.320 -0.001 0.000 0.247 390 K C -1.514 175.183 176.600 0.162 0.000 0.956 390 K CA -0.408 55.983 56.287 0.174 0.000 0.896 390 K CB 1.864 34.429 32.500 0.108 0.000 1.131 390 K HN 0.500 nan 8.250 nan 0.000 0.440 391 L N 3.494 124.829 121.223 0.187 0.000 2.334 391 L HA 0.456 4.796 4.340 -0.001 0.000 0.276 391 L C -1.778 175.182 176.870 0.151 0.000 1.014 391 L CA -2.213 52.667 54.840 0.067 0.000 0.815 391 L CB 1.751 43.668 42.059 -0.237 0.000 1.268 391 L HN 0.328 nan 8.230 nan 0.000 0.428 392 P HA 0.098 nan 4.420 nan 0.000 0.254 392 P C -0.407 177.078 177.300 0.309 0.000 1.631 392 P CA 0.429 63.654 63.100 0.208 0.000 0.861 392 P CB 0.001 31.801 31.700 0.167 0.000 1.663 393 I N -0.636 120.139 120.570 0.342 0.000 2.498 393 I HA 0.379 4.548 4.170 -0.001 0.000 0.290 393 I C -0.350 175.985 176.117 0.364 0.000 1.032 393 I CA -1.206 60.224 61.300 0.217 0.000 1.073 393 I CB 2.303 40.265 38.000 -0.063 0.000 1.251 393 I HN -0.299 nan 8.210 nan 0.000 0.426 394 Q N 4.775 124.598 119.800 0.038 0.000 2.332 394 Q HA 0.095 4.434 4.340 -0.001 0.000 0.263 394 Q C 0.706 176.825 176.000 0.198 0.000 0.979 394 Q CA 0.259 55.913 55.803 -0.249 0.000 0.885 394 Q CB 1.500 30.024 28.738 -0.356 0.000 1.218 394 Q HN 0.566 nan 8.270 nan 0.000 0.405 395 K N 2.408 122.918 120.400 0.183 0.000 2.211 395 K HA -0.217 4.102 4.320 -0.001 0.000 0.204 395 K C 1.207 177.964 176.600 0.262 0.000 1.047 395 K CA 1.787 58.232 56.287 0.263 0.000 0.935 395 K CB 0.146 32.567 32.500 -0.131 0.000 0.728 395 K HN 0.751 nan 8.250 nan 0.000 0.452 396 E N -1.223 119.048 120.200 0.117 0.000 2.107 396 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 396 E C 1.351 178.037 176.600 0.143 0.000 0.982 396 E CA 1.576 58.037 56.400 0.101 0.000 0.809 396 E CB 0.080 29.789 29.700 0.015 0.000 0.756 396 E HN 0.274 nan 8.360 nan 0.000 0.459 397 T N 0.729 115.364 114.554 0.135 0.000 2.674 397 T HA -0.204 4.146 4.350 -0.001 0.000 0.265 397 T C 1.341 176.186 174.700 0.242 0.000 1.039 397 T CA 1.210 63.385 62.100 0.126 0.000 1.150 397 T CB -0.708 68.194 68.868 0.057 0.000 0.864 397 T HN 0.433 nan 8.240 nan 0.000 0.427 398 W N 2.734 124.134 121.300 0.167 0.000 2.302 398 W HA -0.247 4.413 4.660 0.000 0.000 0.320 398 W C 2.316 179.063 176.519 0.380 0.000 1.241 398 W CA 2.117 59.603 57.345 0.236 0.000 1.264 398 W CB -0.334 29.313 29.460 0.312 0.000 1.154 398 W HN 0.423 nan 8.180 nan 0.000 0.483 399 E N -0.201 120.189 120.200 0.317 0.000 2.049 399 E HA -0.257 4.093 4.350 -0.001 0.000 0.198 399 E C 1.949 178.749 176.600 0.332 0.000 1.007 399 E CA 2.734 59.349 56.400 0.357 0.000 0.809 399 E CB -0.772 29.119 29.700 0.319 0.000 0.749 399 E HN 0.098 nan 8.360 nan 0.000 0.450 400 T N 1.436 116.099 114.554 0.181 0.000 2.607 400 T HA -0.226 4.123 4.350 -0.001 0.000 0.267 400 T C 1.286 175.990 174.700 0.007 0.000 1.049 400 T CA 1.746 63.893 62.100 0.078 0.000 1.162 400 T CB -0.757 68.153 68.868 0.071 0.000 0.863 400 T HN 0.482 nan 8.240 nan 0.000 0.424 401 W N 0.852 122.060 121.300 -0.153 0.000 2.332 401 W HA -0.216 4.444 4.660 -0.001 0.000 0.321 401 W C 2.312 178.635 176.519 -0.327 0.000 1.219 401 W CA 1.658 58.854 57.345 -0.247 0.000 1.277 401 W CB -1.059 28.240 29.460 -0.269 0.000 1.161 401 W HN 0.497 nan 8.180 nan 0.000 0.476 402 W N 2.272 123.196 121.300 -0.626 0.000 2.318 402 W HA -0.254 4.406 4.660 -0.000 0.000 0.313 402 W C 2.472 178.727 176.519 -0.440 0.000 1.221 402 W CA 3.450 60.374 57.345 -0.701 0.000 1.266 402 W CB -1.106 27.856 29.460 -0.830 0.000 1.150 402 W HN -0.199 nan 8.180 nan 0.000 0.496 403 T N 1.039 114.745 114.554 -1.413 0.000 2.665 403 T HA -0.264 4.086 4.350 -0.001 0.000 0.268 403 T C 1.460 175.573 174.700 -0.978 0.000 1.035 403 T CA 2.336 63.316 62.100 -1.866 0.000 1.151 403 T CB -0.276 67.905 68.868 -1.145 0.000 0.862 403 T HN 0.514 nan 8.240 nan 0.000 0.438 404 E N -1.091 118.718 120.200 -0.652 0.000 2.385 404 E HA 0.032 4.382 4.350 -0.001 0.000 0.194 404 E C 0.245 176.586 176.600 -0.430 0.000 1.013 404 E CA -0.222 55.914 56.400 -0.441 0.000 0.866 404 E CB -0.032 29.497 29.700 -0.286 0.000 0.832 404 E HN 0.449 nan 8.360 nan 0.000 0.500 405 Y N 2.773 122.571 120.300 -0.836 0.000 2.497 405 Y HA -0.150 4.399 4.550 -0.001 0.000 0.334 405 Y C 1.240 176.808 175.900 -0.553 0.000 1.199 405 Y CA -1.177 56.389 58.100 -0.889 0.000 1.425 405 Y CB 0.373 38.017 38.460 -1.359 0.000 1.291 405 Y HN 0.184 nan 8.280 nan 0.000 0.562 406 W N 4.337 125.111 121.300 -0.878 0.000 2.465 406 W HA -0.024 4.635 4.660 -0.000 0.000 0.268 406 W C -0.312 175.870 176.519 -0.562 0.000 1.242 406 W CA 0.523 57.491 57.345 -0.628 0.000 1.248 406 W CB -0.162 28.970 29.460 -0.547 0.000 1.118 406 W HN 0.597 nan 8.180 nan 0.000 0.587 407 Q N 1.724 120.611 119.800 -1.522 0.000 2.274 407 Q HA 0.568 4.908 4.340 -0.001 0.000 0.260 407 Q C -0.495 175.243 176.000 -0.437 0.000 0.974 407 Q CA -0.610 54.498 55.803 -1.157 0.000 0.876 407 Q CB 2.042 29.447 28.738 -2.222 0.000 1.297 407 Q HN 0.026 nan 8.270 nan 0.000 0.446 408 A N 2.677 125.404 122.820 -0.155 0.000 2.488 408 A HA 0.385 4.705 4.320 -0.001 0.000 0.249 408 A C -0.107 177.541 177.584 0.106 0.000 1.083 408 A CA 0.373 52.427 52.037 0.029 0.000 0.768 408 A CB 0.535 19.577 19.000 0.070 0.000 1.017 408 A HN 0.708 nan 8.150 nan 0.000 0.496 409 T N 3.374 118.083 114.554 0.259 0.000 2.909 409 T HA 0.607 4.957 4.350 -0.001 0.000 0.299 409 T C -1.638 173.389 174.700 0.544 0.000 1.073 409 T CA -0.418 61.894 62.100 0.353 0.000 0.999 409 T CB 1.024 70.100 68.868 0.346 0.000 1.098 409 T HN 1.093 nan 8.240 nan 0.000 0.477 410 W N 7.393 128.854 121.300 0.269 0.000 3.268 410 W HA 0.393 5.052 4.660 -0.001 0.000 0.330 410 W C -2.421 174.149 176.519 0.085 0.000 1.074 410 W CA -0.995 56.480 57.345 0.216 0.000 1.263 410 W CB 0.548 30.080 29.460 0.119 0.000 1.250 410 W HN 0.595 nan 8.180 nan 0.000 0.425 411 I N 8.695 128.844 120.570 -0.701 0.000 2.342 411 I HA 0.214 4.384 4.170 -0.001 0.000 0.291 411 I C -1.218 174.157 176.117 -1.236 0.000 1.010 411 I CA -1.773 58.941 61.300 -0.976 0.000 1.308 411 I CB 1.282 38.525 38.000 -1.263 0.000 1.400 411 I HN 0.133 nan 8.210 nan 0.000 0.488 412 P HA -0.027 nan 4.420 nan 0.000 0.285 412 P C -0.282 176.918 177.300 -0.165 0.000 1.282 412 P CA -0.428 62.460 63.100 -0.354 0.000 0.778 412 P CB 0.347 32.073 31.700 0.045 0.000 1.222 413 E N 0.314 120.513 120.200 -0.001 0.000 2.820 413 E HA -0.060 4.290 4.350 -0.001 0.000 0.251 413 E C -0.513 176.176 176.600 0.149 0.000 0.944 413 E CA 0.424 56.837 56.400 0.021 0.000 0.955 413 E CB 0.013 29.724 29.700 0.018 0.000 0.904 413 E HN 0.331 nan 8.360 nan 0.000 0.513 414 W N 3.240 124.454 121.300 -0.143 0.000 3.047 414 W HA 0.660 5.319 4.660 -0.001 0.000 0.341 414 W C -1.255 175.216 176.519 -0.080 0.000 1.225 414 W CA -0.945 56.336 57.345 -0.106 0.000 1.150 414 W CB 0.903 30.229 29.460 -0.223 0.000 1.470 414 W HN 0.353 nan 8.180 nan 0.000 0.578 415 E N 1.328 121.633 120.200 0.175 0.000 2.321 415 E HA 0.262 4.612 4.350 -0.001 0.000 0.278 415 E C -1.626 175.142 176.600 0.281 0.000 0.902 415 E CA -0.878 55.521 56.400 -0.003 0.000 0.758 415 E CB 3.094 32.793 29.700 -0.002 0.000 1.213 415 E HN 0.303 nan 8.360 nan 0.000 0.426 416 F N 3.313 123.321 119.950 0.096 0.000 2.471 416 F HA 0.390 4.917 4.527 0.000 0.000 0.353 416 F C -0.904 174.979 175.800 0.138 0.000 1.113 416 F CA -0.071 58.070 58.000 0.236 0.000 1.262 416 F CB 0.807 39.913 39.000 0.176 0.000 1.146 416 F HN 0.169 nan 8.300 nan 0.000 0.578 417 V N 6.558 125.989 119.914 -0.805 0.000 2.569 417 V HA 0.241 4.361 4.120 -0.001 0.000 0.301 417 V C -0.760 174.756 176.094 -0.963 0.000 1.044 417 V CA -0.928 60.938 62.300 -0.723 0.000 0.874 417 V CB 1.442 33.137 31.823 -0.213 0.000 1.002 417 V HN 0.830 nan 8.190 nan 0.000 0.424 418 N N 4.311 122.500 118.700 -0.853 0.000 2.605 418 N HA 0.099 4.838 4.740 -0.001 0.000 0.282 418 N C -0.016 175.424 175.510 -0.118 0.000 1.206 418 N CA 0.363 53.203 53.050 -0.351 0.000 1.074 418 N CB 0.185 38.639 38.487 -0.055 0.000 1.434 418 N HN 0.830 nan 8.380 nan 0.000 0.506 419 T N 0.543 115.055 114.554 -0.071 0.000 3.150 419 T HA 0.425 4.775 4.350 -0.001 0.000 0.383 419 T C -2.686 172.031 174.700 0.028 0.000 1.313 419 T CA -1.979 60.111 62.100 -0.017 0.000 1.235 419 T CB 1.286 70.139 68.868 -0.025 0.000 1.088 419 T HN 0.055 nan 8.240 nan 0.000 0.556 420 P HA 0.183 nan 4.420 nan 0.000 0.267 420 P C -2.108 175.206 177.300 0.023 0.000 1.201 420 P CA -0.727 62.403 63.100 0.050 0.000 0.775 420 P CB -0.181 31.546 31.700 0.044 0.000 0.854 421 P HA 0.153 nan 4.420 nan 0.000 0.271 421 P C -0.738 176.614 177.300 0.086 0.000 1.216 421 P CA -0.086 63.045 63.100 0.052 0.000 0.776 421 P CB 0.401 32.123 31.700 0.037 0.000 0.881 422 L N 3.178 124.466 121.223 0.108 0.000 2.350 422 L HA 0.176 4.515 4.340 -0.001 0.000 0.275 422 L C 0.129 177.063 176.870 0.107 0.000 1.099 422 L CA -0.444 54.480 54.840 0.140 0.000 0.808 422 L CB 1.250 43.401 42.059 0.153 0.000 1.149 422 L HN 0.130 nan 8.230 nan 0.000 0.442 423 V N 5.084 125.072 119.914 0.124 0.000 2.488 423 V HA 0.370 4.490 4.120 -0.001 0.000 0.277 423 V C 0.292 176.368 176.094 -0.029 0.000 1.046 423 V CA -0.365 61.989 62.300 0.090 0.000 0.986 423 V CB 0.503 32.396 31.823 0.117 0.000 0.989 423 V HN 0.869 nan 8.190 nan 0.000 0.475 424 K N 4.396 124.718 120.400 -0.131 0.000 2.466 424 K HA 0.669 4.989 4.320 -0.001 0.000 0.277 424 K C -2.014 174.339 176.600 -0.412 0.000 1.039 424 K CA -1.094 55.009 56.287 -0.306 0.000 0.904 424 K CB 1.668 33.877 32.500 -0.484 0.000 1.506 424 K HN 0.227 nan 8.250 nan 0.000 0.441 425 L N 1.641 122.614 121.223 -0.417 0.000 2.272 425 L HA 0.322 4.662 4.340 -0.001 0.000 0.289 425 L C 0.004 176.605 176.870 -0.448 0.000 1.032 425 L CA -0.281 54.352 54.840 -0.344 0.000 0.810 425 L CB 0.386 42.333 42.059 -0.187 0.000 1.205 425 L HN 0.750 nan 8.230 nan 0.000 0.422 426 W N 4.194 125.416 121.300 -0.130 0.000 3.077 426 W HA 0.115 4.775 4.660 -0.001 0.000 0.245 426 W C -0.063 176.547 176.519 0.151 0.000 1.316 426 W CA -0.093 57.259 57.345 0.011 0.000 1.537 426 W CB -0.582 28.925 29.460 0.078 0.000 1.131 426 W HN 0.552 nan 8.180 nan 0.000 0.695 427 Y N -2.846 117.537 120.300 0.139 0.000 2.717 427 Y HA 0.398 4.948 4.550 -0.000 0.000 0.345 427 Y C -1.165 174.785 175.900 0.084 0.000 1.187 427 Y CA -1.930 56.231 58.100 0.103 0.000 1.128 427 Y CB 0.197 38.728 38.460 0.117 0.000 1.360 427 Y HN -0.233 nan 8.280 nan 0.000 0.467 428 Q N 2.475 122.442 119.800 0.278 0.000 2.372 428 Q HA 0.504 4.844 4.340 -0.001 0.000 0.273 428 Q C -1.748 174.386 176.000 0.223 0.000 1.078 428 Q CA -1.071 54.845 55.803 0.188 0.000 0.806 428 Q CB 3.345 32.142 28.738 0.099 0.000 1.332 428 Q HN 0.674 nan 8.270 nan 0.000 0.435 429 L N 2.446 123.785 121.223 0.194 0.000 2.292 429 L HA 0.228 4.567 4.340 -0.001 0.000 0.284 429 L C 0.626 177.581 176.870 0.142 0.000 1.065 429 L CA -0.140 54.793 54.840 0.154 0.000 0.806 429 L CB 0.505 42.635 42.059 0.118 0.000 1.175 429 L HN 0.420 nan 8.230 nan 0.000 0.431 430 E N 3.334 123.639 120.200 0.176 0.000 2.418 430 E HA 0.018 4.368 4.350 -0.001 0.000 0.261 430 E C 0.335 177.093 176.600 0.262 0.000 1.070 430 E CA -0.064 56.450 56.400 0.190 0.000 0.931 430 E CB 0.749 30.560 29.700 0.185 0.000 0.954 430 E HN 0.416 nan 8.360 nan 0.000 0.439 431 K N 0.564 121.064 120.400 0.167 0.000 2.243 431 K HA 0.030 4.349 4.320 -0.001 0.000 0.201 431 K C 0.236 176.943 176.600 0.178 0.000 1.051 431 K CA 0.607 56.998 56.287 0.172 0.000 0.970 431 K CB 0.357 32.902 32.500 0.076 0.000 0.755 431 K HN 0.376 nan 8.250 nan 0.000 0.465 432 E N 0.453 120.639 120.200 -0.023 0.000 2.277 432 E HA 0.340 4.690 4.350 -0.001 0.000 0.266 432 E C -2.701 173.432 176.600 -0.779 0.000 0.901 432 E CA -2.886 53.313 56.400 -0.336 0.000 0.782 432 E CB 1.297 30.892 29.700 -0.176 0.000 1.228 432 E HN -0.204 nan 8.360 nan 0.000 0.424 433 P HA 0.127 nan 4.420 nan 0.000 0.268 433 P C -0.255 176.844 177.300 -0.335 0.000 1.204 433 P CA 0.227 62.809 63.100 -0.864 0.000 0.768 433 P CB 0.288 31.680 31.700 -0.513 0.000 0.842 434 I N 2.939 123.407 120.570 -0.169 0.000 2.363 434 I HA 0.068 4.237 4.170 -0.001 0.000 0.292 434 I C 0.570 176.660 176.117 -0.045 0.000 1.075 434 I CA -0.622 60.638 61.300 -0.067 0.000 1.333 434 I CB 0.447 38.444 38.000 -0.004 0.000 1.415 434 I HN 0.044 nan 8.210 nan 0.000 0.502 435 V N 6.581 126.468 119.914 -0.045 0.000 2.673 435 V HA 0.133 4.253 4.120 -0.001 0.000 0.303 435 V C 1.237 177.325 176.094 -0.010 0.000 1.046 435 V CA 0.971 63.254 62.300 -0.028 0.000 1.126 435 V CB 0.791 32.597 31.823 -0.027 0.000 0.934 435 V HN 1.129 nan 8.190 nan 0.000 0.487 436 G N 4.219 113.017 108.800 -0.002 0.000 2.314 436 G HA2 0.078 4.038 3.960 -0.001 0.000 0.292 436 G HA3 0.078 4.038 3.960 -0.001 0.000 0.292 436 G C 0.024 174.932 174.900 0.014 0.000 1.059 436 G CA 0.267 45.371 45.100 0.006 0.000 0.982 436 G HN 1.720 nan 8.290 nan 0.000 0.505 437 A N -0.390 122.443 122.820 0.021 0.000 2.455 437 A HA 0.759 5.078 4.320 -0.001 0.000 0.300 437 A C 0.002 177.619 177.584 0.055 0.000 1.040 437 A CA -0.376 51.685 52.037 0.039 0.000 0.697 437 A CB 1.165 20.188 19.000 0.038 0.000 1.265 437 A HN 0.466 nan 8.150 nan 0.000 0.407 438 E N 1.404 121.654 120.200 0.083 0.000 2.415 438 E HA 0.150 4.500 4.350 -0.001 0.000 0.260 438 E C -0.440 176.235 176.600 0.126 0.000 1.016 438 E CA 0.355 56.802 56.400 0.079 0.000 0.924 438 E CB 0.374 30.129 29.700 0.092 0.000 0.961 438 E HN 0.555 nan 8.360 nan 0.000 0.459 439 T N 5.389 119.966 114.554 0.038 0.000 2.727 439 T HA 0.155 4.505 4.350 -0.001 0.000 0.295 439 T C -0.459 174.223 174.700 -0.029 0.000 0.915 439 T CA -0.085 62.025 62.100 0.017 0.000 1.066 439 T CB -0.198 68.666 68.868 -0.006 0.000 0.891 439 T HN 0.210 nan 8.240 nan 0.000 0.516 440 F N 3.091 122.959 119.950 -0.137 0.000 2.391 440 F HA 0.332 4.859 4.527 -0.001 0.000 0.359 440 F C 0.055 175.786 175.800 -0.116 0.000 1.122 440 F CA -1.039 56.893 58.000 -0.112 0.000 1.120 440 F CB 0.593 39.465 39.000 -0.214 0.000 1.142 440 F HN 0.537 nan 8.300 nan 0.000 0.483 441 Y N 4.178 124.555 120.300 0.129 0.000 2.594 441 Y HA 0.374 4.924 4.550 -0.001 0.000 0.342 441 Y C 0.378 176.377 175.900 0.166 0.000 1.010 441 Y CA -0.852 57.313 58.100 0.108 0.000 1.270 441 Y CB 0.362 38.852 38.460 0.050 0.000 1.125 441 Y HN 0.380 nan 8.280 nan 0.000 0.513 442 V N -0.440 119.628 119.914 0.256 0.000 3.170 442 V HA 0.710 4.830 4.120 -0.001 0.000 0.309 442 V C -0.344 175.855 176.094 0.176 0.000 1.071 442 V CA -0.384 62.066 62.300 0.250 0.000 1.063 442 V CB 1.928 33.872 31.823 0.202 0.000 1.123 442 V HN 0.606 nan 8.190 nan 0.000 0.464 443 D N -1.228 119.263 120.400 0.153 0.000 2.742 443 D HA 0.665 5.304 4.640 -0.001 0.000 0.262 443 D C -0.701 175.656 176.300 0.094 0.000 1.240 443 D CA 0.493 54.555 54.000 0.103 0.000 0.752 443 D CB 1.792 42.639 40.800 0.077 0.000 1.290 443 D HN 1.253 nan 8.370 nan 0.000 0.420 444 G N -0.289 108.557 108.800 0.076 0.000 2.759 444 G HA2 0.772 4.731 3.960 -0.001 0.000 0.297 444 G HA3 0.772 4.731 3.960 -0.001 0.000 0.297 444 G C -1.612 173.323 174.900 0.058 0.000 1.434 444 G CA -0.022 45.120 45.100 0.070 0.000 0.980 444 G HN 0.571 nan 8.290 nan 0.000 0.531 445 A N 0.060 122.910 122.820 0.050 0.000 2.479 445 A HA 1.092 5.412 4.320 -0.001 0.000 0.296 445 A C -0.349 177.257 177.584 0.038 0.000 1.121 445 A CA -0.255 51.810 52.037 0.046 0.000 0.743 445 A CB 1.979 21.008 19.000 0.049 0.000 1.323 445 A HN 2.474 nan 8.150 nan 0.000 0.415 446 A N 0.946 123.786 122.820 0.033 0.000 2.540 446 A HA 0.611 4.931 4.320 -0.001 0.000 0.297 446 A C -1.268 176.329 177.584 0.022 0.000 1.056 446 A CA -0.606 51.446 52.037 0.025 0.000 0.700 446 A CB 1.091 20.103 19.000 0.021 0.000 1.280 446 A HN 0.831 nan 8.150 nan 0.000 0.398 447 N N 1.682 120.393 118.700 0.018 0.000 2.406 447 N HA 0.127 4.866 4.740 -0.001 0.000 0.251 447 N C 1.137 176.654 175.510 0.011 0.000 1.069 447 N CA -0.415 52.643 53.050 0.015 0.000 0.947 447 N CB 0.667 39.162 38.487 0.013 0.000 1.111 447 N HN 0.646 nan 8.380 nan 0.000 0.497 448 R N 2.212 122.718 120.500 0.010 0.000 2.170 448 R HA -0.128 4.211 4.340 -0.001 0.000 0.242 448 R C 0.659 176.963 176.300 0.006 0.000 1.145 448 R CA 1.099 57.203 56.100 0.007 0.000 0.984 448 R CB 0.129 30.432 30.300 0.006 0.000 0.869 448 R HN 0.643 nan 8.270 nan 0.000 0.455 449 E N 0.040 120.244 120.200 0.007 0.000 2.030 449 E HA -0.076 4.274 4.350 -0.001 0.000 0.189 449 E C 2.070 178.674 176.600 0.006 0.000 0.974 449 E CA 1.824 58.227 56.400 0.006 0.000 0.807 449 E CB -0.384 29.319 29.700 0.005 0.000 0.771 449 E HN 0.416 nan 8.360 nan 0.000 0.451 450 T N -1.514 113.044 114.554 0.007 0.000 3.081 450 T HA 0.090 4.440 4.350 -0.001 0.000 0.255 450 T C 0.754 175.459 174.700 0.009 0.000 1.113 450 T CA 0.489 62.594 62.100 0.007 0.000 1.082 450 T CB 0.158 69.030 68.868 0.007 0.000 0.939 450 T HN -0.102 nan 8.240 nan 0.000 0.506 451 K N -0.172 120.233 120.400 0.009 0.000 3.472 451 K HA -0.083 4.237 4.320 -0.001 0.000 0.315 451 K C -0.196 176.412 176.600 0.013 0.000 1.320 451 K CA 0.418 56.711 56.287 0.010 0.000 0.962 451 K CB -2.404 30.102 32.500 0.010 0.000 1.251 451 K HN 0.557 nan 8.250 nan 0.000 0.443 452 L N 0.236 121.467 121.223 0.013 0.000 2.349 452 L HA 0.445 4.785 4.340 -0.001 0.000 0.275 452 L C 1.227 178.107 176.870 0.017 0.000 1.115 452 L CA 0.326 55.174 54.840 0.014 0.000 0.820 452 L CB 1.057 43.123 42.059 0.012 0.000 1.135 452 L HN 0.300 nan 8.230 nan 0.000 0.445 453 G N 2.454 111.266 108.800 0.020 0.000 2.685 453 G HA2 0.646 4.606 3.960 -0.001 0.000 0.298 453 G HA3 0.646 4.606 3.960 -0.001 0.000 0.298 453 G C -1.409 173.506 174.900 0.024 0.000 1.277 453 G CA -0.467 44.648 45.100 0.025 0.000 0.986 453 G HN 0.507 nan 8.290 nan 0.000 0.487 454 K N -0.784 119.634 120.400 0.029 0.000 2.565 454 K HA 0.601 4.920 4.320 -0.001 0.000 0.251 454 K C -1.215 175.405 176.600 0.034 0.000 0.956 454 K CA -0.501 55.800 56.287 0.024 0.000 0.809 454 K CB 2.210 34.721 32.500 0.017 0.000 1.267 454 K HN 0.788 nan 8.250 nan 0.000 0.438 455 A N 2.035 124.876 122.820 0.034 0.000 2.393 455 A HA 0.936 5.256 4.320 -0.001 0.000 0.306 455 A C -0.623 176.980 177.584 0.031 0.000 1.050 455 A CA -0.317 51.751 52.037 0.052 0.000 0.724 455 A CB 1.760 20.806 19.000 0.076 0.000 1.248 455 A HN 0.786 nan 8.150 nan 0.000 0.424 456 G N -0.145 108.682 108.800 0.046 0.000 2.619 456 G HA2 0.725 4.685 3.960 -0.001 0.000 0.305 456 G HA3 0.725 4.685 3.960 -0.001 0.000 0.305 456 G C -1.509 173.453 174.900 0.104 0.000 1.330 456 G CA 0.076 45.163 45.100 -0.022 0.000 0.789 456 G HN 1.930 nan 8.290 nan 0.000 0.487 457 Y N -1.949 118.417 120.300 0.110 0.000 2.609 457 Y HA 0.761 5.310 4.550 -0.001 0.000 0.336 457 Y C -0.967 174.982 175.900 0.082 0.000 1.129 457 Y CA -1.732 56.456 58.100 0.146 0.000 1.040 457 Y CB 1.504 40.136 38.460 0.286 0.000 1.310 457 Y HN 1.258 nan 8.280 nan 0.000 0.460 458 V N 0.323 120.465 119.914 0.379 0.000 2.525 458 V HA 0.814 4.934 4.120 -0.001 0.000 0.299 458 V C -0.288 175.901 176.094 0.158 0.000 1.034 458 V CA 0.133 62.557 62.300 0.208 0.000 0.863 458 V CB 0.813 32.679 31.823 0.071 0.000 0.999 458 V HN 1.380 nan 8.190 nan 0.000 0.423 459 T N 1.945 116.487 114.554 -0.019 0.000 2.912 459 T HA 0.363 4.712 4.350 -0.001 0.000 0.280 459 T C 0.967 175.638 174.700 -0.048 0.000 0.989 459 T CA 0.082 62.058 62.100 -0.207 0.000 0.995 459 T CB 1.439 69.910 68.868 -0.661 0.000 1.077 459 T HN 1.002 nan 8.240 nan 0.000 0.531 460 N N 0.670 119.365 118.700 -0.008 0.000 2.398 460 N HA -0.033 4.706 4.740 -0.001 0.000 0.188 460 N C 1.304 176.802 175.510 -0.019 0.000 1.122 460 N CA 0.149 53.214 53.050 0.025 0.000 0.866 460 N CB -0.350 38.191 38.487 0.090 0.000 0.970 460 N HN 0.726 nan 8.380 nan 0.000 0.462 461 R N -0.426 120.039 120.500 -0.059 0.000 2.388 461 R HA 0.197 4.537 4.340 -0.001 0.000 0.247 461 R C 0.673 176.948 176.300 -0.042 0.000 0.931 461 R CA 0.603 56.674 56.100 -0.050 0.000 1.082 461 R CB -0.214 30.045 30.300 -0.068 0.000 1.135 461 R HN 0.324 nan 8.270 nan 0.000 0.525 462 G N 0.610 109.386 108.800 -0.041 0.000 2.284 462 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.230 462 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.230 462 G C 0.232 175.121 174.900 -0.018 0.000 1.021 462 G CA 0.001 45.085 45.100 -0.026 0.000 0.619 462 G HN 0.358 nan 8.290 nan 0.000 0.510 463 R N 0.953 121.439 120.500 -0.024 0.000 2.784 463 R HA 0.546 4.885 4.340 -0.001 0.000 0.266 463 R C 0.412 176.758 176.300 0.077 0.000 1.044 463 R CA 0.934 57.052 56.100 0.029 0.000 1.151 463 R CB 0.355 30.678 30.300 0.037 0.000 1.037 463 R HN 0.489 nan 8.270 nan 0.000 0.478 464 Q N 1.717 121.570 119.800 0.088 0.000 2.545 464 Q HA 0.294 4.634 4.340 -0.001 0.000 0.273 464 Q C -1.924 173.917 176.000 -0.265 0.000 0.975 464 Q CA -0.727 55.046 55.803 -0.049 0.000 0.876 464 Q CB 1.890 30.600 28.738 -0.046 0.000 1.472 464 Q HN 0.560 nan 8.270 nan 0.000 0.389 465 K N 1.041 121.088 120.400 -0.590 0.000 2.579 465 K HA 0.765 5.085 4.320 -0.001 0.000 0.284 465 K C -2.014 174.357 176.600 -0.380 0.000 0.990 465 K CA -0.541 55.434 56.287 -0.519 0.000 0.880 465 K CB 2.426 34.491 32.500 -0.726 0.000 1.488 465 K HN 0.358 nan 8.250 nan 0.000 0.425 466 V N 1.715 121.501 119.914 -0.213 0.000 2.852 466 V HA 0.455 4.575 4.120 -0.001 0.000 0.300 466 V C -1.372 174.680 176.094 -0.071 0.000 1.205 466 V CA -0.904 61.325 62.300 -0.119 0.000 0.940 466 V CB 1.905 33.681 31.823 -0.078 0.000 1.047 466 V HN 0.520 nan 8.190 nan 0.000 0.429 467 V N 2.716 122.607 119.914 -0.037 0.000 2.735 467 V HA 0.608 4.727 4.120 -0.001 0.000 0.310 467 V C 0.053 176.149 176.094 0.004 0.000 1.061 467 V CA -0.390 61.902 62.300 -0.012 0.000 0.913 467 V CB 2.776 34.600 31.823 0.001 0.000 1.005 467 V HN 0.981 nan 8.190 nan 0.000 0.428 468 T N 6.000 120.558 114.554 0.006 0.000 2.845 468 T HA 0.747 5.097 4.350 -0.001 0.000 0.288 468 T C -0.531 174.181 174.700 0.020 0.000 0.980 468 T CA -0.284 61.823 62.100 0.012 0.000 1.071 468 T CB 0.894 69.766 68.868 0.007 0.000 0.941 468 T HN 0.325 nan 8.240 nan 0.000 0.487 469 L N 2.187 123.425 121.223 0.024 0.000 2.365 469 L HA 0.463 4.803 4.340 -0.001 0.000 0.273 469 L C 1.649 178.533 176.870 0.023 0.000 1.000 469 L CA -0.814 54.043 54.840 0.029 0.000 0.819 469 L CB 2.023 44.104 42.059 0.038 0.000 1.284 469 L HN 0.861 nan 8.230 nan 0.000 0.418 470 T N -3.279 111.288 114.554 0.022 0.000 2.901 470 T HA 0.011 4.361 4.350 -0.001 0.000 0.252 470 T C 0.598 175.308 174.700 0.017 0.000 1.035 470 T CA 0.714 62.825 62.100 0.018 0.000 1.142 470 T CB 0.106 68.984 68.868 0.016 0.000 0.869 470 T HN 0.550 nan 8.240 nan 0.000 0.442 471 D N 2.311 122.722 120.400 0.019 0.000 2.739 471 D HA 0.260 4.899 4.640 -0.001 0.000 0.335 471 D C -0.200 176.111 176.300 0.019 0.000 1.216 471 D CA -0.098 53.912 54.000 0.017 0.000 0.808 471 D CB 1.059 41.868 40.800 0.015 0.000 1.121 471 D HN 0.573 nan 8.370 nan 0.000 0.499 472 T N -1.834 112.732 114.554 0.020 0.000 2.864 472 T HA 0.712 5.061 4.350 -0.001 0.000 0.276 472 T C 0.623 175.331 174.700 0.013 0.000 1.006 472 T CA -0.472 61.641 62.100 0.021 0.000 0.970 472 T CB 1.855 70.741 68.868 0.029 0.000 1.420 472 T HN 0.142 nan 8.240 nan 0.000 0.601 473 T N -2.568 111.991 114.554 0.009 0.000 2.812 473 T HA 0.441 4.790 4.350 -0.001 0.000 0.294 473 T C 0.556 175.253 174.700 -0.005 0.000 1.159 473 T CA -0.866 61.231 62.100 -0.006 0.000 1.008 473 T CB 1.301 70.154 68.868 -0.025 0.000 1.289 473 T HN 0.407 nan 8.240 nan 0.000 0.514 474 N N 0.313 119.003 118.700 -0.017 0.000 2.069 474 N HA -0.130 4.609 4.740 -0.001 0.000 0.191 474 N C 2.083 177.584 175.510 -0.016 0.000 1.031 474 N CA 1.779 54.826 53.050 -0.006 0.000 0.852 474 N CB -0.264 38.220 38.487 -0.006 0.000 1.018 474 N HN 0.609 nan 8.380 nan 0.000 0.423 475 Q N 0.575 120.311 119.800 -0.105 0.000 2.077 475 Q HA -0.197 4.143 4.340 -0.001 0.000 0.206 475 Q C 1.788 177.815 176.000 0.046 0.000 0.989 475 Q CA 1.355 57.049 55.803 -0.182 0.000 0.853 475 Q CB -0.292 28.113 28.738 -0.555 0.000 0.907 475 Q HN 0.383 nan 8.270 nan 0.000 0.418 476 K N 0.402 120.821 120.400 0.031 0.000 2.057 476 K HA -0.121 4.198 4.320 -0.001 0.000 0.207 476 K C 2.431 179.081 176.600 0.083 0.000 1.049 476 K CA 1.857 58.187 56.287 0.072 0.000 0.931 476 K CB -0.266 32.263 32.500 0.048 0.000 0.714 476 K HN 0.416 nan 8.250 nan 0.000 0.440 477 T N -1.212 113.382 114.554 0.068 0.000 2.821 477 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 477 T C 1.768 176.526 174.700 0.098 0.000 1.046 477 T CA 1.190 63.335 62.100 0.075 0.000 1.139 477 T CB -0.188 68.715 68.868 0.058 0.000 0.871 477 T HN 0.166 nan 8.240 nan 0.000 0.454 478 E N 0.228 120.494 120.200 0.110 0.000 2.204 478 E HA 0.069 4.418 4.350 -0.001 0.000 0.194 478 E C 1.805 178.491 176.600 0.143 0.000 0.989 478 E CA 0.409 56.889 56.400 0.134 0.000 0.824 478 E CB -0.115 29.681 29.700 0.159 0.000 0.756 478 E HN 0.251 nan 8.360 nan 0.000 0.477 479 L N 0.527 121.840 121.223 0.150 0.000 2.162 479 L HA -0.061 4.278 4.340 -0.001 0.000 0.205 479 L C 2.060 179.001 176.870 0.118 0.000 1.086 479 L CA 1.382 56.291 54.840 0.114 0.000 0.778 479 L CB -0.479 41.647 42.059 0.112 0.000 0.928 479 L HN 0.086 nan 8.230 nan 0.000 0.446 480 Q N -0.538 119.341 119.800 0.133 0.000 2.084 480 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 480 Q C 2.309 178.419 176.000 0.183 0.000 0.978 480 Q CA 1.666 57.572 55.803 0.171 0.000 0.844 480 Q CB -0.358 28.460 28.738 0.134 0.000 0.898 480 Q HN 0.500 nan 8.270 nan 0.000 0.426 481 A N 0.864 123.774 122.820 0.151 0.000 1.908 481 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 481 A C 2.131 179.814 177.584 0.166 0.000 1.181 481 A CA 1.307 53.443 52.037 0.164 0.000 0.627 481 A CB -0.694 18.396 19.000 0.149 0.000 0.818 481 A HN 0.343 nan 8.150 nan 0.000 0.445 482 I N -2.053 118.593 120.570 0.127 0.000 2.394 482 I HA -0.202 3.968 4.170 -0.001 0.000 0.251 482 I C 2.434 178.607 176.117 0.093 0.000 1.136 482 I CA 1.125 62.468 61.300 0.073 0.000 1.425 482 I CB -0.335 37.689 38.000 0.040 0.000 1.079 482 I HN 0.479 nan 8.210 nan 0.000 0.425 483 Y N 1.777 122.067 120.300 -0.016 0.000 2.200 483 Y HA -0.187 4.362 4.550 -0.001 0.000 0.290 483 Y C 2.250 178.135 175.900 -0.025 0.000 1.137 483 Y CA 1.294 59.375 58.100 -0.031 0.000 1.163 483 Y CB -0.518 37.938 38.460 -0.006 0.000 0.988 483 Y HN 0.020 nan 8.280 nan 0.000 0.518 484 L N -0.479 120.752 121.223 0.012 0.000 1.970 484 L HA -0.291 4.048 4.340 -0.001 0.000 0.212 484 L C 2.766 179.585 176.870 -0.085 0.000 1.071 484 L CA 1.572 56.411 54.840 -0.001 0.000 0.751 484 L CB -1.244 40.964 42.059 0.250 0.000 0.889 484 L HN 0.261 nan 8.230 nan 0.000 0.432 485 A N -0.050 122.680 122.820 -0.150 0.000 1.927 485 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 485 A C 2.202 179.301 177.584 -0.808 0.000 1.185 485 A CA 1.908 53.480 52.037 -0.774 0.000 0.639 485 A CB -0.837 17.836 19.000 -0.545 0.000 0.820 485 A HN 0.418 nan 8.150 nan 0.000 0.451 486 L N -1.542 119.450 121.223 -0.386 0.000 2.217 486 L HA -0.144 4.196 4.340 -0.001 0.000 0.211 486 L C 2.772 179.496 176.870 -0.243 0.000 1.107 486 L CA 1.229 55.904 54.840 -0.275 0.000 0.783 486 L CB -0.270 41.736 42.059 -0.089 0.000 0.919 486 L HN 0.504 nan 8.230 nan 0.000 0.442 487 Q N -0.225 119.411 119.800 -0.274 0.000 2.033 487 Q HA -0.105 4.234 4.340 -0.001 0.000 0.196 487 Q C 0.160 176.065 176.000 -0.159 0.000 0.970 487 Q CA 0.983 56.645 55.803 -0.235 0.000 0.828 487 Q CB 0.417 28.950 28.738 -0.342 0.000 0.895 487 Q HN 0.393 nan 8.270 nan 0.000 0.440 488 D N -0.206 120.107 120.400 -0.146 0.000 3.134 488 D HA 0.023 4.662 4.640 -0.001 0.000 0.248 488 D C 0.306 176.576 176.300 -0.050 0.000 1.273 488 D CA 0.202 54.193 54.000 -0.016 0.000 0.904 488 D CB 0.499 41.417 40.800 0.197 0.000 1.089 488 D HN 0.174 nan 8.370 nan 0.000 0.478 489 S N -1.563 114.047 115.700 -0.149 0.000 2.612 489 S HA 0.359 4.828 4.470 -0.001 0.000 0.278 489 S C 1.013 175.594 174.600 -0.031 0.000 1.082 489 S CA 0.257 58.384 58.200 -0.121 0.000 1.185 489 S CB 0.625 63.479 63.200 -0.578 0.000 1.077 489 S HN 0.460 nan 8.310 nan 0.000 0.585 490 G N 2.275 111.048 108.800 -0.046 0.000 2.785 490 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.685 490 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.685 490 G C 0.167 175.056 174.900 -0.019 0.000 1.480 490 G CA -0.467 44.623 45.100 -0.016 0.000 0.915 490 G HN 0.705 nan 8.290 nan 0.000 0.576 491 L N 0.339 121.558 121.223 -0.007 0.000 2.391 491 L HA -0.157 4.183 4.340 -0.001 0.000 0.219 491 L C 1.593 178.464 176.870 0.001 0.000 1.093 491 L CA 2.341 57.180 54.840 -0.001 0.000 0.792 491 L CB -1.007 41.057 42.059 0.009 0.000 0.888 491 L HN 0.780 nan 8.230 nan 0.000 0.443 492 E N -1.848 118.354 120.200 0.004 0.000 2.304 492 E HA 0.652 5.001 4.350 -0.001 0.000 0.277 492 E C -1.089 175.524 176.600 0.022 0.000 0.898 492 E CA -0.462 55.947 56.400 0.015 0.000 0.764 492 E CB 2.691 32.405 29.700 0.023 0.000 1.216 492 E HN -0.100 nan 8.360 nan 0.000 0.419 493 V N -0.480 119.448 119.914 0.024 0.000 3.216 493 V HA 0.617 4.736 4.120 -0.001 0.000 0.302 493 V C -1.151 174.992 176.094 0.081 0.000 1.286 493 V CA -1.114 61.214 62.300 0.045 0.000 1.048 493 V CB 2.392 34.180 31.823 -0.060 0.000 1.081 493 V HN 0.622 nan 8.190 nan 0.000 0.442 494 N N 1.197 119.964 118.700 0.113 0.000 2.296 494 N HA 0.737 5.476 4.740 -0.001 0.000 0.294 494 N C -1.525 174.024 175.510 0.066 0.000 1.033 494 N CA -0.324 52.814 53.050 0.148 0.000 0.839 494 N CB 2.759 41.336 38.487 0.150 0.000 1.395 494 N HN 0.727 nan 8.380 nan 0.000 0.479 495 I N 1.559 122.126 120.570 -0.005 0.000 2.478 495 I HA 0.233 4.402 4.170 -0.001 0.000 0.287 495 I C -0.349 175.696 176.117 -0.120 0.000 1.042 495 I CA -1.069 60.196 61.300 -0.059 0.000 1.067 495 I CB 2.322 40.280 38.000 -0.070 0.000 1.233 495 I HN 0.128 nan 8.210 nan 0.000 0.431 496 V N 5.289 125.094 119.914 -0.182 0.000 2.384 496 V HA 0.718 4.838 4.120 -0.001 0.000 0.287 496 V C -0.366 175.695 176.094 -0.056 0.000 1.020 496 V CA 0.277 62.477 62.300 -0.168 0.000 0.850 496 V CB 1.731 33.378 31.823 -0.294 0.000 0.987 496 V HN 0.872 nan 8.190 nan 0.000 0.436 497 T N 2.806 117.357 114.554 -0.005 0.000 2.910 497 T HA 0.589 4.938 4.350 -0.001 0.000 0.287 497 T C -0.211 174.487 174.700 -0.002 0.000 1.050 497 T CA 0.163 62.292 62.100 0.048 0.000 1.011 497 T CB 1.920 70.848 68.868 0.101 0.000 1.195 497 T HN 0.949 nan 8.240 nan 0.000 0.540 498 D N -0.019 120.396 120.400 0.026 0.000 2.623 498 D HA 0.278 4.918 4.640 -0.001 0.000 0.252 498 D C -0.161 176.359 176.300 0.366 0.000 1.294 498 D CA -0.346 53.617 54.000 -0.061 0.000 0.824 498 D CB 0.214 40.908 40.800 -0.177 0.000 1.070 498 D HN 0.238 nan 8.370 nan 0.000 0.487 499 S N 0.560 116.513 115.700 0.421 0.000 2.488 499 S HA 0.107 4.577 4.470 -0.001 0.000 0.310 499 S C 0.847 175.604 174.600 0.262 0.000 1.093 499 S CA -0.546 57.853 58.200 0.332 0.000 1.129 499 S CB 1.060 64.407 63.200 0.245 0.000 0.989 499 S HN 0.248 nan 8.310 nan 0.000 0.479 500 Q N 3.333 123.199 119.800 0.110 0.000 2.170 500 Q HA -0.172 4.168 4.340 -0.001 0.000 0.203 500 Q C 1.299 177.276 176.000 -0.039 0.000 0.976 500 Q CA 1.557 57.246 55.803 -0.191 0.000 0.858 500 Q CB -0.141 28.402 28.738 -0.324 0.000 0.907 500 Q HN 0.970 nan 8.270 nan 0.000 0.433 501 Y N 0.268 120.549 120.300 -0.031 0.000 2.097 501 Y HA -0.259 4.291 4.550 -0.001 0.000 0.282 501 Y C 2.031 177.932 175.900 0.002 0.000 1.152 501 Y CA 1.934 60.030 58.100 -0.006 0.000 1.136 501 Y CB -0.648 37.825 38.460 0.021 0.000 0.975 501 Y HN 0.132 nan 8.280 nan 0.000 0.498 502 A N 1.210 123.956 122.820 -0.123 0.000 1.902 502 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 502 A C 2.427 179.913 177.584 -0.163 0.000 1.181 502 A CA 1.555 53.464 52.037 -0.213 0.000 0.623 502 A CB -1.223 17.786 19.000 0.015 0.000 0.818 502 A HN 0.630 nan 8.150 nan 0.000 0.443 503 L N -0.453 120.728 121.223 -0.070 0.000 1.956 503 L HA -0.206 4.133 4.340 -0.001 0.000 0.216 503 L C 2.669 179.487 176.870 -0.086 0.000 1.073 503 L CA 2.301 57.104 54.840 -0.062 0.000 0.762 503 L CB -1.274 40.746 42.059 -0.066 0.000 0.889 503 L HN 0.464 nan 8.230 nan 0.000 0.433 504 G N 0.065 108.795 108.800 -0.116 0.000 2.505 504 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.220 504 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.220 504 G C 1.557 176.433 174.900 -0.039 0.000 1.145 504 G CA 1.215 46.266 45.100 -0.082 0.000 0.761 504 G HN 0.450 nan 8.290 nan 0.000 0.571 505 I N 0.381 120.856 120.570 -0.159 0.000 2.127 505 I HA -0.173 3.996 4.170 -0.001 0.000 0.241 505 I C 2.726 178.811 176.117 -0.053 0.000 1.075 505 I CA 1.182 62.379 61.300 -0.172 0.000 1.334 505 I CB -0.285 37.431 38.000 -0.472 0.000 1.040 505 I HN 0.186 nan 8.210 nan 0.000 0.405 506 I N 0.005 120.542 120.570 -0.054 0.000 2.286 506 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 506 I C 2.520 178.720 176.117 0.138 0.000 1.104 506 I CA 1.040 62.367 61.300 0.045 0.000 1.397 506 I CB -0.483 37.512 38.000 -0.008 0.000 1.072 506 I HN 0.237 nan 8.210 nan 0.000 0.417 507 Q N 0.728 120.582 119.800 0.090 0.000 2.308 507 Q HA -0.194 4.145 4.340 -0.001 0.000 0.209 507 Q C 1.998 178.112 176.000 0.190 0.000 0.985 507 Q CA 1.439 57.312 55.803 0.116 0.000 0.881 507 Q CB -0.170 28.605 28.738 0.062 0.000 0.917 507 Q HN 0.595 nan 8.270 nan 0.000 0.443 508 A N 0.001 122.963 122.820 0.237 0.000 2.278 508 A HA -0.024 4.295 4.320 -0.001 0.000 0.212 508 A C 0.321 178.087 177.584 0.304 0.000 1.213 508 A CA 0.003 52.241 52.037 0.335 0.000 0.840 508 A CB 0.072 19.312 19.000 0.400 0.000 0.866 508 A HN 0.402 nan 8.150 nan 0.000 0.489 509 Q N -1.054 118.877 119.800 0.218 0.000 2.451 509 Q HA -0.126 4.213 4.340 -0.001 0.000 0.305 509 Q C -2.322 173.673 176.000 -0.007 0.000 1.345 509 Q CA 0.430 56.221 55.803 -0.020 0.000 0.854 509 Q CB -1.410 27.276 28.738 -0.086 0.000 1.162 509 Q HN 0.538 nan 8.270 nan 0.000 0.440 510 P HA -0.026 nan 4.420 nan 0.000 0.271 510 P C -0.069 177.317 177.300 0.144 0.000 1.216 510 P CA 0.472 63.656 63.100 0.139 0.000 0.776 510 P CB 0.778 32.576 31.700 0.163 0.000 0.881 511 D N 0.377 120.824 120.400 0.078 0.000 2.469 511 D HA 0.035 4.675 4.640 -0.001 0.000 0.213 511 D C 0.141 176.427 176.300 -0.025 0.000 1.135 511 D CA 0.127 54.149 54.000 0.037 0.000 0.834 511 D CB 0.296 41.103 40.800 0.011 0.000 1.009 511 D HN 0.519 nan 8.370 nan 0.000 0.507 512 Q N -1.497 118.320 119.800 0.028 0.000 2.479 512 Q HA 0.560 4.900 4.340 -0.001 0.000 0.276 512 Q C -1.645 174.404 176.000 0.082 0.000 0.989 512 Q CA -0.947 54.868 55.803 0.019 0.000 0.864 512 Q CB 1.665 30.403 28.738 -0.000 0.000 1.444 512 Q HN -0.031 nan 8.270 nan 0.000 0.388 513 S N 0.276 116.026 115.700 0.082 0.000 2.596 513 S HA 0.298 4.767 4.470 -0.001 0.000 0.270 513 S C -0.419 174.240 174.600 0.098 0.000 1.155 513 S CA -0.378 57.922 58.200 0.166 0.000 0.827 513 S CB 2.081 65.453 63.200 0.286 0.000 1.130 513 S HN 0.740 nan 8.310 nan 0.000 0.467 514 E N 0.912 121.170 120.200 0.096 0.000 2.358 514 E HA 0.080 4.430 4.350 -0.001 0.000 0.195 514 E C 0.217 176.857 176.600 0.066 0.000 1.010 514 E CA 0.343 56.773 56.400 0.051 0.000 0.856 514 E CB 0.285 29.998 29.700 0.021 0.000 0.795 514 E HN 0.422 nan 8.360 nan 0.000 0.504 515 S N 0.383 116.150 115.700 0.112 0.000 2.452 515 S HA 0.068 4.538 4.470 -0.001 0.000 0.284 515 S C 0.875 175.488 174.600 0.022 0.000 1.171 515 S CA -0.603 57.647 58.200 0.082 0.000 1.064 515 S CB 1.304 64.581 63.200 0.129 0.000 0.967 515 S HN -0.002 nan 8.310 nan 0.000 0.484 516 E N 3.863 124.062 120.200 -0.002 0.000 2.110 516 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 516 E C 1.563 178.106 176.600 -0.095 0.000 0.988 516 E CA 1.113 57.490 56.400 -0.038 0.000 0.804 516 E CB -0.317 29.367 29.700 -0.026 0.000 0.745 516 E HN 0.676 nan 8.360 nan 0.000 0.458 517 L N -0.057 121.111 121.223 -0.093 0.000 1.970 517 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 517 L C 2.354 179.084 176.870 -0.233 0.000 1.071 517 L CA 1.645 56.376 54.840 -0.181 0.000 0.751 517 L CB -1.145 40.864 42.059 -0.084 0.000 0.889 517 L HN 0.112 nan 8.230 nan 0.000 0.432 518 V N 0.071 119.903 119.914 -0.136 0.000 2.380 518 V HA -0.368 3.752 4.120 -0.001 0.000 0.251 518 V C 2.280 178.293 176.094 -0.136 0.000 1.063 518 V CA 2.192 64.405 62.300 -0.145 0.000 1.055 518 V CB -1.068 30.673 31.823 -0.136 0.000 0.657 518 V HN 0.556 nan 8.190 nan 0.000 0.455 519 N N -0.291 118.341 118.700 -0.113 0.000 2.142 519 N HA -0.183 4.556 4.740 -0.001 0.000 0.186 519 N C 1.967 177.385 175.510 -0.153 0.000 1.023 519 N CA 1.278 54.267 53.050 -0.103 0.000 0.852 519 N CB -0.122 38.320 38.487 -0.075 0.000 0.998 519 N HN 0.635 nan 8.380 nan 0.000 0.424 520 Q N 0.639 120.287 119.800 -0.252 0.000 2.079 520 Q HA -0.119 4.221 4.340 -0.001 0.000 0.200 520 Q C 2.044 177.855 176.000 -0.314 0.000 0.974 520 Q CA 0.988 56.592 55.803 -0.332 0.000 0.840 520 Q CB -0.312 28.026 28.738 -0.667 0.000 0.898 520 Q HN 0.491 nan 8.270 nan 0.000 0.430 521 I N 0.927 121.268 120.570 -0.382 0.000 2.127 521 I HA -0.311 3.859 4.170 -0.001 0.000 0.241 521 I C 2.410 178.426 176.117 -0.168 0.000 1.075 521 I CA 1.235 62.406 61.300 -0.215 0.000 1.334 521 I CB -0.361 37.525 38.000 -0.191 0.000 1.040 521 I HN 0.113 nan 8.210 nan 0.000 0.405 522 I N 0.848 121.330 120.570 -0.147 0.000 2.151 522 I HA -0.367 3.803 4.170 -0.001 0.000 0.243 522 I C 2.695 178.757 176.117 -0.090 0.000 1.080 522 I CA 1.967 63.206 61.300 -0.102 0.000 1.339 522 I CB -0.419 37.589 38.000 0.013 0.000 1.039 522 I HN 0.312 nan 8.210 nan 0.000 0.409 523 E N 0.238 120.394 120.200 -0.072 0.000 2.118 523 E HA -0.291 4.059 4.350 -0.001 0.000 0.195 523 E C 2.093 178.680 176.600 -0.022 0.000 0.992 523 E CA 1.260 57.637 56.400 -0.039 0.000 0.804 523 E CB 0.001 29.679 29.700 -0.037 0.000 0.741 523 E HN 0.499 nan 8.360 nan 0.000 0.458 524 Q N 0.220 120.003 119.800 -0.029 0.000 2.096 524 Q HA -0.058 4.282 4.340 -0.001 0.000 0.197 524 Q C 2.535 178.486 176.000 -0.083 0.000 0.964 524 Q CA 0.865 56.660 55.803 -0.014 0.000 0.838 524 Q CB -0.104 28.665 28.738 0.050 0.000 0.906 524 Q HN 0.436 nan 8.270 nan 0.000 0.444 525 L N 0.237 121.347 121.223 -0.190 0.000 2.131 525 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 525 L C 2.263 179.027 176.870 -0.177 0.000 1.092 525 L CA 0.838 55.480 54.840 -0.330 0.000 0.759 525 L CB -0.407 41.149 42.059 -0.838 0.000 0.903 525 L HN 0.153 nan 8.230 nan 0.000 0.435 526 I N -0.617 119.925 120.570 -0.047 0.000 2.546 526 I HA -0.215 3.955 4.170 -0.001 0.000 0.255 526 I C 2.478 178.649 176.117 0.090 0.000 1.163 526 I CA 1.036 62.415 61.300 0.131 0.000 1.457 526 I CB -0.178 37.948 38.000 0.211 0.000 1.092 526 I HN 0.146 nan 8.210 nan 0.000 0.434 527 K N 0.727 121.149 120.400 0.036 0.000 2.062 527 K HA -0.043 4.277 4.320 -0.001 0.000 0.205 527 K C 0.777 177.390 176.600 0.022 0.000 1.051 527 K CA 0.607 56.913 56.287 0.031 0.000 0.941 527 K CB 0.201 32.709 32.500 0.014 0.000 0.719 527 K HN 0.006 nan 8.250 nan 0.000 0.440 528 K N 0.954 121.354 120.400 0.000 0.000 2.393 528 K HA -0.125 4.194 4.320 -0.001 0.000 0.264 528 K C 0.813 177.427 176.600 0.024 0.000 0.979 528 K CA 0.808 57.094 56.287 -0.002 0.000 0.893 528 K CB 0.424 32.908 32.500 -0.027 0.000 0.967 528 K HN 0.201 nan 8.250 nan 0.000 0.521 529 E N 0.436 120.650 120.200 0.022 0.000 2.413 529 E HA 0.004 4.353 4.350 -0.001 0.000 0.203 529 E C -0.700 175.923 176.600 0.039 0.000 0.957 529 E CA 0.307 56.726 56.400 0.032 0.000 0.950 529 E CB 0.475 30.190 29.700 0.025 0.000 0.957 529 E HN 0.436 nan 8.360 nan 0.000 0.497 530 K N -0.002 120.419 120.400 0.035 0.000 2.578 530 K HA 0.296 4.615 4.320 -0.001 0.000 0.263 530 K C -1.341 175.287 176.600 0.047 0.000 0.973 530 K CA -0.495 55.821 56.287 0.048 0.000 0.909 530 K CB 1.567 34.094 32.500 0.045 0.000 1.326 530 K HN -0.184 nan 8.250 nan 0.000 0.440 531 V N 2.790 122.741 119.914 0.061 0.000 2.588 531 V HA 0.412 4.532 4.120 -0.001 0.000 0.304 531 V C -1.399 174.769 176.094 0.124 0.000 1.042 531 V CA -0.851 61.481 62.300 0.054 0.000 0.877 531 V CB 1.573 33.387 31.823 -0.014 0.000 0.996 531 V HN 0.754 nan 8.190 nan 0.000 0.425 532 Y N 5.465 125.759 120.300 -0.009 0.000 2.364 532 Y HA 0.799 5.349 4.550 -0.001 0.000 0.340 532 Y C -1.122 174.772 175.900 -0.009 0.000 0.975 532 Y CA -1.316 56.784 58.100 -0.001 0.000 1.089 532 Y CB 1.786 40.244 38.460 -0.003 0.000 1.192 532 Y HN 0.558 nan 8.280 nan 0.000 0.454 533 L N 5.972 126.815 121.223 -0.632 0.000 2.404 533 L HA 0.900 5.240 4.340 -0.001 0.000 0.272 533 L C -1.355 175.180 176.870 -0.558 0.000 0.980 533 L CA -0.591 53.992 54.840 -0.429 0.000 0.836 533 L CB 0.987 42.925 42.059 -0.203 0.000 1.238 533 L HN 0.755 nan 8.230 nan 0.000 0.408 534 A N 3.944 126.541 122.820 -0.372 0.000 2.386 534 A HA 0.842 5.162 4.320 -0.001 0.000 0.308 534 A C -2.013 175.592 177.584 0.034 0.000 1.128 534 A CA -0.580 51.345 52.037 -0.186 0.000 0.789 534 A CB 1.149 20.083 19.000 -0.110 0.000 1.325 534 A HN 0.815 nan 8.150 nan 0.000 0.437 535 W N 0.958 122.208 121.300 -0.082 0.000 2.844 535 W HA 0.604 5.264 4.660 -0.000 0.000 0.340 535 W C -1.100 175.415 176.519 -0.006 0.000 1.093 535 W CA -0.567 56.754 57.345 -0.040 0.000 1.212 535 W CB 1.848 31.285 29.460 -0.038 0.000 1.422 535 W HN 0.983 nan 8.180 nan 0.000 0.515 536 V N 3.023 122.289 119.914 -1.081 0.000 3.078 536 V HA 0.750 4.870 4.120 -0.001 0.000 0.311 536 V C -2.800 172.280 176.094 -1.689 0.000 1.138 536 V CA -2.931 58.696 62.300 -1.121 0.000 1.007 536 V CB 1.743 33.302 31.823 -0.441 0.000 1.045 536 V HN 0.480 nan 8.190 nan 0.000 0.432 537 P HA 0.437 nan 4.420 nan 0.000 0.274 537 P C -0.370 176.705 177.300 -0.374 0.000 1.231 537 P CA 0.229 62.943 63.100 -0.644 0.000 0.790 537 P CB 0.887 32.430 31.700 -0.262 0.000 0.951 538 A N 1.354 124.037 122.820 -0.229 0.000 2.271 538 A HA 0.356 4.676 4.320 -0.001 0.000 0.288 538 A C 0.032 177.484 177.584 -0.221 0.000 1.094 538 A CA -0.332 51.522 52.037 -0.304 0.000 0.828 538 A CB -0.793 17.959 19.000 -0.414 0.000 1.091 538 A HN 0.824 nan 8.150 nan 0.000 0.493 539 H N -1.800 117.254 119.070 -0.027 0.000 2.921 539 H HA -0.124 4.431 4.556 -0.001 0.000 0.281 539 H C -0.628 174.684 175.328 -0.027 0.000 1.165 539 H CA 1.117 57.154 56.048 -0.019 0.000 1.151 539 H CB -1.184 28.576 29.762 -0.004 0.000 1.311 539 H HN 0.349 nan 8.280 nan 0.000 0.361 540 K N 0.444 120.851 120.400 0.012 0.000 2.307 540 K HA 0.323 4.643 4.320 -0.001 0.000 0.263 540 K C 1.080 177.666 176.600 -0.024 0.000 0.973 540 K CA -0.218 56.063 56.287 -0.010 0.000 0.846 540 K CB 1.603 34.071 32.500 -0.054 0.000 1.100 540 K HN 0.306 nan 8.250 nan 0.000 0.438 541 G N 3.007 111.800 108.800 -0.012 0.000 3.097 541 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.199 541 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.199 541 G C 0.326 175.201 174.900 -0.042 0.000 1.205 541 G CA 0.013 45.100 45.100 -0.022 0.000 1.009 541 G HN 0.553 nan 8.290 nan 0.000 0.507 542 I N 1.272 121.810 120.570 -0.052 0.000 2.668 542 I HA 0.152 4.321 4.170 -0.001 0.000 0.285 542 I C 1.969 178.030 176.117 -0.092 0.000 1.168 542 I CA 0.733 62.000 61.300 -0.055 0.000 1.424 542 I CB 0.307 38.275 38.000 -0.054 0.000 1.377 542 I HN 0.214 nan 8.210 nan 0.000 0.560 543 G N 5.084 113.817 108.800 -0.112 0.000 4.023 543 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.346 543 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.346 543 G C 1.394 176.055 174.900 -0.398 0.000 0.853 543 G CA 0.858 45.826 45.100 -0.220 0.000 0.712 543 G HN 0.948 nan 8.290 nan 0.000 1.461 544 G N 0.183 108.439 108.800 -0.906 0.000 2.517 544 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.222 544 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.222 544 G C 1.618 176.220 174.900 -0.497 0.000 1.109 544 G CA 1.473 45.907 45.100 -1.111 0.000 0.746 544 G HN 0.732 nan 8.290 nan 0.000 0.576 545 N N 1.543 120.079 118.700 -0.273 0.000 2.006 545 N HA -0.176 4.564 4.740 -0.001 0.000 0.196 545 N C 2.275 177.751 175.510 -0.057 0.000 1.057 545 N CA 1.858 54.893 53.050 -0.024 0.000 0.853 545 N CB -0.429 38.052 38.487 -0.011 0.000 1.051 545 N HN 0.623 nan 8.380 nan 0.000 0.423 546 E N 0.003 120.158 120.200 -0.075 0.000 2.333 546 E HA -0.249 4.101 4.350 -0.001 0.000 0.200 546 E C 1.750 178.325 176.600 -0.042 0.000 1.010 546 E CA 1.171 57.545 56.400 -0.043 0.000 0.841 546 E CB -0.172 29.504 29.700 -0.041 0.000 0.757 546 E HN 0.470 nan 8.360 nan 0.000 0.508 547 Q N 0.397 120.152 119.800 -0.074 0.000 2.123 547 Q HA -0.024 4.315 4.340 -0.001 0.000 0.196 547 Q C 2.273 178.258 176.000 -0.025 0.000 0.958 547 Q CA 1.538 57.304 55.803 -0.062 0.000 0.841 547 Q CB 0.385 29.059 28.738 -0.106 0.000 0.915 547 Q HN 0.318 nan 8.270 nan 0.000 0.455 548 V N 0.294 120.207 119.914 -0.001 0.000 2.871 548 V HA -0.164 3.956 4.120 -0.001 0.000 0.256 548 V C 1.809 177.918 176.094 0.026 0.000 1.082 548 V CA 1.526 63.844 62.300 0.031 0.000 1.105 548 V CB -0.549 31.326 31.823 0.087 0.000 0.713 548 V HN 0.366 nan 8.190 nan 0.000 0.473 549 D N 1.972 122.384 120.400 0.020 0.000 2.104 549 D HA -0.236 4.404 4.640 -0.001 0.000 0.194 549 D C 2.132 178.454 176.300 0.037 0.000 0.994 549 D CA 2.109 56.129 54.000 0.033 0.000 0.830 549 D CB 0.209 41.035 40.800 0.043 0.000 0.959 549 D HN 0.672 nan 8.370 nan 0.000 0.452 550 K N 0.367 120.781 120.400 0.023 0.000 2.057 550 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 550 K C 2.343 178.948 176.600 0.008 0.000 1.049 550 K CA 0.774 57.070 56.287 0.015 0.000 0.931 550 K CB -0.642 31.860 32.500 0.003 0.000 0.714 550 K HN 0.066 nan 8.250 nan 0.000 0.440 551 L N 1.744 122.969 121.223 0.002 0.000 1.989 551 L HA -0.151 4.189 4.340 -0.001 0.000 0.211 551 L C 2.333 179.202 176.870 -0.001 0.000 1.071 551 L CA 1.718 56.554 54.840 -0.007 0.000 0.749 551 L CB -0.281 41.769 42.059 -0.015 0.000 0.890 551 L HN 0.314 nan 8.230 nan 0.000 0.431 552 V N -5.059 114.862 119.914 0.011 0.000 3.541 552 V HA 0.068 4.188 4.120 -0.001 0.000 0.267 552 V C 1.993 178.102 176.094 0.025 0.000 1.213 552 V CA 1.270 63.581 62.300 0.018 0.000 1.149 552 V CB 0.017 31.857 31.823 0.029 0.000 0.822 552 V HN 0.356 nan 8.190 nan 0.000 0.462 553 S N 0.849 116.566 115.700 0.029 0.000 2.470 553 S HA 0.421 4.891 4.470 -0.001 0.000 0.225 553 S C 1.374 175.986 174.600 0.020 0.000 1.006 553 S CA 0.532 58.752 58.200 0.034 0.000 0.934 553 S CB -0.301 62.926 63.200 0.045 0.000 0.778 553 S HN 0.932 nan 8.310 nan 0.000 0.517 554 A N 0.859 123.687 122.820 0.012 0.000 2.548 554 A HA 0.462 4.781 4.320 -0.001 0.000 0.247 554 A C 1.565 179.152 177.584 0.006 0.000 1.067 554 A CA 0.624 52.665 52.037 0.006 0.000 0.757 554 A CB -0.825 18.175 19.000 0.000 0.000 0.996 554 A HN 0.775 nan 8.150 nan 0.000 0.504 555 G N 2.042 110.845 108.800 0.005 0.000 2.990 555 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.225 555 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.225 555 G C 1.003 175.908 174.900 0.008 0.000 1.304 555 G CA 0.593 45.696 45.100 0.005 0.000 0.816 555 G HN 0.748 nan 8.290 nan 0.000 0.528 556 I N 2.229 122.806 120.570 0.012 0.000 2.076 556 I HA 0.091 4.260 4.170 -0.001 0.000 0.237 556 I C 1.722 177.849 176.117 0.016 0.000 1.059 556 I CA 2.572 63.881 61.300 0.016 0.000 1.317 556 I CB -1.380 36.633 38.000 0.022 0.000 1.037 556 I HN 0.826 nan 8.210 nan 0.000 0.398 557 R N 0.000 120.511 120.500 0.019 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 557 R CA 0.000 56.109 56.100 0.016 0.000 0.921 557 R CB 0.000 30.314 30.300 0.023 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535