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 3drr_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 ICQYMDDLYV 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 0.000 174.637 174.600 0.062 0.000 1.055 0 S CA 0.000 58.237 58.200 0.062 0.000 1.107 0 S CB 0.000 63.255 63.200 0.092 0.000 0.593 1 P HA 0.473 nan 4.420 nan 0.000 0.274 1 P C -0.570 176.785 177.300 0.091 0.000 1.231 1 P CA -0.498 62.638 63.100 0.060 0.000 0.790 1 P CB 0.292 32.022 31.700 0.050 0.000 0.951 2 I N 0.141 120.762 120.570 0.086 0.000 2.998 2 I HA 0.119 4.291 4.170 0.003 0.000 0.338 2 I C 0.186 176.373 176.117 0.117 0.000 1.413 2 I CA -0.501 60.867 61.300 0.113 0.000 0.880 2 I CB -0.805 37.254 38.000 0.099 0.000 2.051 2 I HN 0.381 nan 8.210 nan 0.000 0.561 3 S N 4.225 120.003 115.700 0.130 0.000 4.467 3 S HA -0.103 4.369 4.470 0.003 0.000 0.744 3 S C -1.154 173.539 174.600 0.154 0.000 1.090 3 S CA -0.300 58.000 58.200 0.167 0.000 1.206 3 S CB 0.372 63.689 63.200 0.195 0.000 2.171 3 S HN 0.416 nan 8.310 nan 0.000 0.336 4 P HA 0.029 nan 4.420 nan 0.000 0.234 4 P C 1.028 178.463 177.300 0.226 0.000 1.167 4 P CA 0.284 63.441 63.100 0.095 0.000 0.763 4 P CB -0.294 31.349 31.700 -0.095 0.000 0.835 5 I N -0.999 119.786 120.570 0.357 0.000 3.138 5 I HA 0.145 4.317 4.170 0.003 0.000 0.288 5 I C 0.415 176.634 176.117 0.170 0.000 1.148 5 I CA -0.142 61.357 61.300 0.332 0.000 1.315 5 I CB 0.535 38.656 38.000 0.201 0.000 1.426 5 I HN -0.150 nan 8.210 nan 0.000 0.615 6 E N 2.159 122.433 120.200 0.123 0.000 2.425 6 E HA 0.078 4.429 4.350 0.003 0.000 0.258 6 E C -0.511 176.127 176.600 0.064 0.000 1.151 6 E CA 0.236 56.684 56.400 0.081 0.000 0.958 6 E CB 0.656 30.389 29.700 0.055 0.000 0.968 6 E HN 0.650 nan 8.360 nan 0.000 0.451 7 T N 0.477 115.069 114.554 0.063 0.000 2.940 7 T HA 0.369 4.720 4.350 0.003 0.000 0.288 7 T C -0.804 173.932 174.700 0.060 0.000 1.033 7 T CA -0.648 61.493 62.100 0.067 0.000 1.033 7 T CB 1.322 70.236 68.868 0.077 0.000 1.079 7 T HN 0.109 nan 8.240 nan 0.000 0.496 8 V N 4.730 124.685 119.914 0.069 0.000 2.394 8 V HA 0.342 4.464 4.120 0.003 0.000 0.282 8 V C -2.193 173.953 176.094 0.087 0.000 1.031 8 V CA -2.024 60.319 62.300 0.072 0.000 0.881 8 V CB 1.280 33.151 31.823 0.080 0.000 0.982 8 V HN 0.734 nan 8.190 nan 0.000 0.451 9 P HA 0.145 nan 4.420 nan 0.000 0.266 9 P C -0.825 176.515 177.300 0.066 0.000 1.215 9 P CA 0.248 63.394 63.100 0.076 0.000 0.763 9 P CB 0.460 32.193 31.700 0.054 0.000 0.806 10 V N 4.920 124.872 119.914 0.064 0.000 2.495 10 V HA 0.437 4.559 4.120 0.003 0.000 0.298 10 V C 0.279 176.384 176.094 0.019 0.000 1.031 10 V CA -0.508 61.757 62.300 -0.059 0.000 0.871 10 V CB 1.810 33.471 31.823 -0.270 0.000 0.988 10 V HN 0.379 nan 8.190 nan 0.000 0.432 11 K N 2.997 123.392 120.400 -0.008 0.000 2.350 11 K HA 0.697 5.019 4.320 0.003 0.000 0.241 11 K C -1.101 175.569 176.600 0.117 0.000 0.994 11 K CA -0.701 55.651 56.287 0.108 0.000 0.839 11 K CB 2.023 34.537 32.500 0.024 0.000 1.244 11 K HN 0.466 nan 8.250 nan 0.000 0.443 12 L N 1.888 123.179 121.223 0.113 0.000 2.416 12 L HA 0.357 4.699 4.340 0.003 0.000 0.262 12 L C 0.179 177.048 176.870 -0.001 0.000 1.093 12 L CA -0.589 54.275 54.840 0.040 0.000 0.801 12 L CB 1.323 43.298 42.059 -0.141 0.000 1.191 12 L HN 0.565 nan 8.230 nan 0.000 0.459 13 K N 1.699 122.096 120.400 -0.006 0.000 2.414 13 K HA 0.121 4.443 4.320 0.003 0.000 0.272 13 K C -2.226 174.369 176.600 -0.009 0.000 0.993 13 K CA -1.407 54.870 56.287 -0.016 0.000 0.964 13 K CB 0.084 32.581 32.500 -0.006 0.000 0.925 13 K HN 0.267 nan 8.250 nan 0.000 0.487 14 P HA -0.080 nan 4.420 nan 0.000 0.262 14 P C 0.435 177.740 177.300 0.008 0.000 1.182 14 P CA 0.927 64.027 63.100 0.001 0.000 0.761 14 P CB 0.395 32.093 31.700 -0.003 0.000 0.795 15 G N 2.286 111.095 108.800 0.015 0.000 2.153 15 G HA2 -0.269 3.693 3.960 0.003 0.000 0.252 15 G HA3 -0.269 3.693 3.960 0.003 0.000 0.252 15 G C 0.068 174.982 174.900 0.023 0.000 0.994 15 G CA -0.140 44.973 45.100 0.021 0.000 0.698 15 G HN 0.456 nan 8.290 nan 0.000 0.521 16 M N -0.136 119.474 119.600 0.016 0.000 2.528 16 M HA 0.513 4.994 4.480 0.003 0.000 0.321 16 M C -0.985 175.317 176.300 0.003 0.000 1.153 16 M CA -0.752 54.556 55.300 0.013 0.000 0.951 16 M CB 1.948 34.550 32.600 0.003 0.000 1.705 16 M HN 0.107 nan 8.290 nan 0.000 0.451 17 D N 0.619 121.032 120.400 0.022 0.000 2.433 17 D HA 0.542 5.184 4.640 0.003 0.000 0.236 17 D C 0.003 176.303 176.300 -0.001 0.000 1.026 17 D CA 0.044 54.072 54.000 0.046 0.000 0.884 17 D CB 1.915 42.806 40.800 0.152 0.000 1.384 17 D HN 0.723 nan 8.370 nan 0.000 0.477 18 G N 1.706 110.424 108.800 -0.137 0.000 2.902 18 G HA2 0.147 4.109 3.960 0.003 0.000 0.240 18 G HA3 0.147 4.109 3.960 0.003 0.000 0.240 18 G C -2.167 172.815 174.900 0.137 0.000 1.244 18 G CA -0.620 44.291 45.100 -0.315 0.000 0.862 18 G HN 0.434 nan 8.290 nan 0.000 0.603 19 P HA 0.315 nan 4.420 nan 0.000 0.278 19 P C -0.893 176.612 177.300 0.341 0.000 1.238 19 P CA -0.366 62.876 63.100 0.237 0.000 0.794 19 P CB 1.357 33.178 31.700 0.202 0.000 0.955 20 K N 1.470 122.006 120.400 0.227 0.000 3.084 20 K HA 0.277 4.599 4.320 0.003 0.000 0.172 20 K C -0.446 176.229 176.600 0.125 0.000 1.078 20 K CA -0.551 55.837 56.287 0.169 0.000 0.875 20 K CB 1.070 33.640 32.500 0.117 0.000 1.064 20 K HN 0.262 nan 8.250 nan 0.000 0.597 21 V N 0.437 120.432 119.914 0.135 0.000 2.465 21 V HA 0.338 4.460 4.120 0.003 0.000 0.279 21 V C -0.212 175.947 176.094 0.110 0.000 1.045 21 V CA -0.571 61.797 62.300 0.113 0.000 0.938 21 V CB 1.156 33.042 31.823 0.106 0.000 0.986 21 V HN 0.457 nan 8.190 nan 0.000 0.467 22 K N 4.706 125.167 120.400 0.102 0.000 2.350 22 K HA 0.272 4.594 4.320 0.003 0.000 0.279 22 K C 0.002 176.680 176.600 0.131 0.000 1.027 22 K CA -0.268 56.080 56.287 0.101 0.000 0.969 22 K CB 0.895 33.448 32.500 0.088 0.000 0.954 22 K HN 0.897 nan 8.250 nan 0.000 0.474 23 Q N 4.821 124.693 119.800 0.120 0.000 2.296 23 Q HA 0.013 4.355 4.340 0.003 0.000 0.262 23 Q C -1.131 174.974 176.000 0.176 0.000 0.981 23 Q CA -0.260 55.633 55.803 0.150 0.000 0.905 23 Q CB 0.520 29.332 28.738 0.124 0.000 1.186 23 Q HN 0.669 nan 8.270 nan 0.000 0.399 24 W N 6.253 127.569 121.300 0.028 0.000 2.137 24 W HA 0.268 4.930 4.660 0.003 0.000 0.344 24 W C -2.407 174.132 176.519 0.034 0.000 1.286 24 W CA -1.788 55.567 57.345 0.017 0.000 1.240 24 W CB 0.684 30.139 29.460 -0.007 0.000 1.141 24 W HN 0.540 nan 8.180 nan 0.000 0.579 25 P HA 0.113 nan 4.420 nan 0.000 0.279 25 P C -0.520 176.696 177.300 -0.140 0.000 1.239 25 P CA -0.166 62.709 63.100 -0.373 0.000 0.789 25 P CB 0.908 32.290 31.700 -0.529 0.000 0.933 26 L N 1.798 123.029 121.223 0.014 0.000 2.331 26 L HA 0.506 4.848 4.340 0.003 0.000 0.268 26 L C 1.016 177.923 176.870 0.061 0.000 1.015 26 L CA -0.443 54.469 54.840 0.121 0.000 0.807 26 L CB 0.595 42.738 42.059 0.140 0.000 1.293 26 L HN 0.358 nan 8.230 nan 0.000 0.451 27 T N -2.926 111.679 114.554 0.085 0.000 2.882 27 T HA 0.246 4.597 4.350 0.003 0.000 0.287 27 T C 1.026 175.719 174.700 -0.011 0.000 1.014 27 T CA -0.567 61.561 62.100 0.047 0.000 1.049 27 T CB 0.959 69.875 68.868 0.081 0.000 1.001 27 T HN 0.541 nan 8.240 nan 0.000 0.525 28 E N 0.910 121.098 120.200 -0.019 0.000 2.058 28 E HA -0.254 4.098 4.350 0.003 0.000 0.194 28 E C 2.184 178.723 176.600 -0.101 0.000 0.997 28 E CA 1.751 58.122 56.400 -0.048 0.000 0.801 28 E CB -0.182 29.500 29.700 -0.031 0.000 0.746 28 E HN 0.959 nan 8.360 nan 0.000 0.450 29 E N 1.798 121.942 120.200 -0.093 0.000 2.086 29 E HA -0.292 4.060 4.350 0.003 0.000 0.200 29 E C 1.786 178.088 176.600 -0.498 0.000 1.012 29 E CA 1.599 57.892 56.400 -0.179 0.000 0.812 29 E CB -0.311 29.384 29.700 -0.008 0.000 0.743 29 E HN 0.196 nan 8.360 nan 0.000 0.453 30 K N 0.685 120.810 120.400 -0.459 0.000 2.062 30 K HA 0.018 4.340 4.320 0.003 0.000 0.205 30 K C 2.379 178.769 176.600 -0.349 0.000 1.051 30 K CA 1.419 57.352 56.287 -0.589 0.000 0.941 30 K CB -0.165 32.161 32.500 -0.290 0.000 0.719 30 K HN 0.190 nan 8.250 nan 0.000 0.440 31 I N 1.661 122.119 120.570 -0.187 0.000 2.208 31 I HA -0.278 3.894 4.170 0.003 0.000 0.245 31 I C 2.547 178.580 176.117 -0.140 0.000 1.097 31 I CA 1.276 62.512 61.300 -0.107 0.000 1.363 31 I CB -0.465 37.500 38.000 -0.059 0.000 1.051 31 I HN 0.208 nan 8.210 nan 0.000 0.413 32 K N 1.341 121.629 120.400 -0.185 0.000 1.971 32 K HA -0.251 4.071 4.320 0.003 0.000 0.221 32 K C 2.280 178.741 176.600 -0.231 0.000 1.050 32 K CA 1.979 58.159 56.287 -0.178 0.000 0.967 32 K CB -0.372 32.017 32.500 -0.184 0.000 0.733 32 K HN 0.276 nan 8.250 nan 0.000 0.445 33 A N 1.664 124.215 122.820 -0.448 0.000 1.906 33 A HA -0.278 4.044 4.320 0.003 0.000 0.222 33 A C 2.257 179.697 177.584 -0.239 0.000 1.282 33 A CA 2.308 54.028 52.037 -0.528 0.000 0.675 33 A CB -1.198 17.075 19.000 -1.212 0.000 0.838 33 A HN 0.401 nan 8.150 nan 0.000 0.469 34 L N -0.905 120.194 121.223 -0.207 0.000 2.012 34 L HA -0.219 4.123 4.340 0.003 0.000 0.210 34 L C 2.598 179.470 176.870 0.003 0.000 1.073 34 L CA 1.551 56.356 54.840 -0.058 0.000 0.748 34 L CB -0.681 41.376 42.059 -0.003 0.000 0.891 34 L HN 0.327 nan 8.230 nan 0.000 0.431 35 V N -0.179 119.729 119.914 -0.009 0.000 2.282 35 V HA -0.345 3.776 4.120 0.003 0.000 0.249 35 V C 2.414 178.519 176.094 0.018 0.000 1.057 35 V CA 2.088 64.406 62.300 0.030 0.000 1.032 35 V CB -0.470 31.355 31.823 0.003 0.000 0.645 35 V HN 0.427 nan 8.190 nan 0.000 0.447 36 E N -0.039 120.151 120.200 -0.016 0.000 2.012 36 E HA -0.212 4.140 4.350 0.003 0.000 0.197 36 E C 2.100 178.699 176.600 -0.002 0.000 1.007 36 E CA 1.993 58.389 56.400 -0.006 0.000 0.816 36 E CB -0.276 29.419 29.700 -0.007 0.000 0.762 36 E HN 0.545 nan 8.360 nan 0.000 0.451 37 I N 0.349 120.916 120.570 -0.004 0.000 2.118 37 I HA -0.413 3.759 4.170 0.003 0.000 0.241 37 I C 2.459 178.546 176.117 -0.049 0.000 1.070 37 I CA 1.056 62.352 61.300 -0.007 0.000 1.327 37 I CB -0.589 37.416 38.000 0.007 0.000 1.034 37 I HN 0.342 nan 8.210 nan 0.000 0.405 38 C N 0.715 119.980 119.300 -0.059 0.000 2.432 38 C HA -0.170 4.292 4.460 0.003 0.000 0.277 38 C C 3.231 178.102 174.990 -0.197 0.000 1.249 38 C CA 1.746 60.640 59.018 -0.206 0.000 1.725 38 C CB -1.301 26.314 27.740 -0.209 0.000 2.028 38 C HN 0.663 nan 8.230 nan 0.000 0.477 39 T N -0.381 114.158 114.554 -0.026 0.000 2.699 39 T HA -0.233 4.119 4.350 0.003 0.000 0.268 39 T C 1.517 176.196 174.700 -0.034 0.000 1.036 39 T CA 2.056 64.163 62.100 0.012 0.000 1.147 39 T CB -0.370 68.520 68.868 0.036 0.000 0.862 39 T HN 0.406 nan 8.240 nan 0.000 0.446 40 E N 1.380 121.555 120.200 -0.043 0.000 2.017 40 E HA -0.018 4.334 4.350 0.003 0.000 0.193 40 E C 2.336 178.893 176.600 -0.072 0.000 0.997 40 E CA 1.367 57.744 56.400 -0.039 0.000 0.804 40 E CB -0.602 29.085 29.700 -0.021 0.000 0.757 40 E HN 0.632 nan 8.360 nan 0.000 0.448 41 M N 0.043 119.568 119.600 -0.125 0.000 2.195 41 M HA -0.203 4.279 4.480 0.003 0.000 0.260 41 M C 2.269 178.459 176.300 -0.183 0.000 1.066 41 M CA 1.801 56.989 55.300 -0.187 0.000 1.089 41 M CB -0.522 31.900 32.600 -0.296 0.000 1.377 41 M HN 0.156 nan 8.290 nan 0.000 0.411 42 E N 1.040 121.138 120.200 -0.171 0.000 2.112 42 E HA -0.133 4.219 4.350 0.003 0.000 0.190 42 E C 1.952 178.521 176.600 -0.051 0.000 0.979 42 E CA 0.828 57.165 56.400 -0.106 0.000 0.814 42 E CB 0.098 29.776 29.700 -0.038 0.000 0.762 42 E HN 0.368 nan 8.360 nan 0.000 0.460 43 K N 0.401 120.778 120.400 -0.039 0.000 2.063 43 K HA -0.197 4.125 4.320 0.003 0.000 0.208 43 K C 1.998 178.587 176.600 -0.019 0.000 1.048 43 K CA 1.870 58.145 56.287 -0.019 0.000 0.928 43 K CB -0.074 32.418 32.500 -0.012 0.000 0.713 43 K HN 0.216 nan 8.250 nan 0.000 0.442 44 E N -1.220 118.963 120.200 -0.029 0.000 2.347 44 E HA -0.062 4.290 4.350 0.003 0.000 0.196 44 E C 1.117 177.705 176.600 -0.019 0.000 1.008 44 E CA 0.687 57.077 56.400 -0.018 0.000 0.852 44 E CB 0.227 29.919 29.700 -0.014 0.000 0.783 44 E HN 0.550 nan 8.360 nan 0.000 0.505 45 G N 0.591 109.368 108.800 -0.038 0.000 2.232 45 G HA2 -0.360 3.602 3.960 0.003 0.000 0.226 45 G HA3 -0.360 3.602 3.960 0.003 0.000 0.226 45 G C 0.975 175.842 174.900 -0.056 0.000 0.996 45 G CA 0.367 45.449 45.100 -0.029 0.000 0.626 45 G HN 0.234 nan 8.290 nan 0.000 0.509 46 K N 0.228 120.566 120.400 -0.103 0.000 2.113 46 K HA 0.054 4.376 4.320 0.003 0.000 0.208 46 K C 1.504 177.950 176.600 -0.257 0.000 1.047 46 K CA 1.696 57.867 56.287 -0.194 0.000 0.928 46 K CB -0.177 32.126 32.500 -0.329 0.000 0.716 46 K HN 0.837 nan 8.250 nan 0.000 0.446 47 I N -4.329 116.079 120.570 -0.271 0.000 3.239 47 I HA 0.435 4.607 4.170 0.003 0.000 0.314 47 I C -0.793 175.250 176.117 -0.124 0.000 1.126 47 I CA -1.081 60.044 61.300 -0.292 0.000 0.973 47 I CB 2.537 40.225 38.000 -0.519 0.000 1.252 47 I HN -0.338 nan 8.210 nan 0.000 0.463 48 S N 0.549 116.230 115.700 -0.032 0.000 2.564 48 S HA 0.463 4.935 4.470 0.003 0.000 0.274 48 S C -1.037 173.650 174.600 0.145 0.000 1.124 48 S CA -0.915 57.320 58.200 0.058 0.000 0.869 48 S CB 2.011 65.219 63.200 0.012 0.000 1.105 48 S HN 0.467 nan 8.310 nan 0.000 0.472 49 K N 2.316 122.762 120.400 0.077 0.000 2.258 49 K HA 0.471 4.793 4.320 0.003 0.000 0.284 49 K C -0.111 176.423 176.600 -0.110 0.000 1.051 49 K CA -0.181 56.050 56.287 -0.094 0.000 0.923 49 K CB 0.402 32.812 32.500 -0.150 0.000 1.046 49 K HN 0.563 nan 8.250 nan 0.000 0.474 50 I N -1.276 119.201 120.570 -0.154 0.000 3.449 50 I HA 0.639 4.810 4.170 0.003 0.000 0.294 50 I C 0.559 176.595 176.117 -0.135 0.000 1.163 50 I CA -1.029 60.201 61.300 -0.117 0.000 1.010 50 I CB 1.288 39.231 38.000 -0.095 0.000 1.307 50 I HN 0.483 nan 8.210 nan 0.000 0.518 51 G N -0.097 108.640 108.800 -0.105 0.000 2.702 51 G HA2 0.592 4.554 3.960 0.003 0.000 0.254 51 G HA3 0.592 4.554 3.960 0.003 0.000 0.254 51 G C -2.247 172.594 174.900 -0.099 0.000 1.380 51 G CA -0.970 44.069 45.100 -0.102 0.000 1.042 51 G HN 0.576 nan 8.290 nan 0.000 0.557 52 P HA 0.120 nan 4.420 nan 0.000 0.267 52 P C 1.020 178.270 177.300 -0.083 0.000 1.289 52 P CA 0.302 63.352 63.100 -0.083 0.000 0.866 52 P CB 0.735 32.391 31.700 -0.074 0.000 1.309 53 E N -0.070 120.082 120.200 -0.079 0.000 2.152 53 E HA -0.084 4.268 4.350 0.003 0.000 0.192 53 E C 0.612 177.152 176.600 -0.100 0.000 0.983 53 E CA 0.592 56.945 56.400 -0.078 0.000 0.818 53 E CB -1.110 28.553 29.700 -0.062 0.000 0.758 53 E HN 0.109 nan 8.360 nan 0.000 0.467 54 N N 2.738 121.379 118.700 -0.099 0.000 2.411 54 N HA 0.047 4.789 4.740 0.003 0.000 0.259 54 N C -1.821 173.587 175.510 -0.171 0.000 1.103 54 N CA -1.659 51.323 53.050 -0.114 0.000 0.954 54 N CB 1.445 39.899 38.487 -0.056 0.000 1.085 54 N HN -0.077 nan 8.380 nan 0.000 0.485 55 P HA 0.093 nan 4.420 nan 0.000 0.261 55 P C -0.540 176.517 177.300 -0.406 0.000 1.268 55 P CA 0.089 62.959 63.100 -0.384 0.000 0.833 55 P CB 0.063 31.472 31.700 -0.486 0.000 1.231 56 Y N 0.897 121.212 120.300 0.024 0.000 2.304 56 Y HA 0.400 4.952 4.550 0.003 0.000 0.327 56 Y C 1.121 177.068 175.900 0.077 0.000 1.209 56 Y CA -0.438 57.702 58.100 0.067 0.000 1.299 56 Y CB 0.463 38.971 38.460 0.081 0.000 1.249 56 Y HN -0.092 nan 8.280 nan 0.000 0.519 57 N N 0.438 119.308 118.700 0.283 0.000 2.369 57 N HA 0.291 5.033 4.740 0.003 0.000 0.287 57 N C -1.865 173.775 175.510 0.218 0.000 1.067 57 N CA -0.297 52.882 53.050 0.215 0.000 0.888 57 N CB 1.750 40.321 38.487 0.141 0.000 1.616 57 N HN 0.577 nan 8.380 nan 0.000 0.482 58 T N 3.855 118.547 114.554 0.229 0.000 2.847 58 T HA 0.394 4.746 4.350 0.003 0.000 0.291 58 T C -2.646 172.125 174.700 0.118 0.000 0.998 58 T CA -0.975 61.218 62.100 0.155 0.000 0.967 58 T CB 1.949 70.898 68.868 0.136 0.000 0.954 58 T HN 0.343 nan 8.240 nan 0.000 0.441 59 P HA 0.070 nan 4.420 nan 0.000 0.261 59 P C -0.519 176.804 177.300 0.039 0.000 1.173 59 P CA -0.039 63.114 63.100 0.089 0.000 0.760 59 P CB 0.373 32.114 31.700 0.068 0.000 0.783 60 V N 3.294 123.276 119.914 0.115 0.000 2.881 60 V HA 0.678 4.799 4.120 0.003 0.000 0.316 60 V C -0.263 175.979 176.094 0.246 0.000 1.070 60 V CA -0.602 61.747 62.300 0.082 0.000 0.976 60 V CB 1.589 33.473 31.823 0.101 0.000 1.038 60 V HN 0.485 nan 8.190 nan 0.000 0.446 61 F N 1.014 120.963 119.950 -0.001 0.000 2.650 61 F HA 0.775 5.303 4.527 0.003 0.000 0.310 61 F C -0.463 175.379 175.800 0.070 0.000 1.112 61 F CA -0.845 57.184 58.000 0.048 0.000 0.986 61 F CB 1.509 40.536 39.000 0.044 0.000 1.285 61 F HN 0.780 nan 8.300 nan 0.000 0.440 62 A N 5.705 128.171 122.820 -0.590 0.000 2.318 62 A HA 0.809 5.130 4.320 0.003 0.000 0.324 62 A C -1.310 175.993 177.584 -0.467 0.000 1.170 62 A CA -0.501 51.328 52.037 -0.346 0.000 0.810 62 A CB 0.456 19.332 19.000 -0.207 0.000 1.198 62 A HN 0.660 nan 8.150 nan 0.000 0.484 63 I N 0.193 120.677 120.570 -0.143 0.000 2.474 63 I HA 0.592 4.763 4.170 0.003 0.000 0.294 63 I C 0.329 176.338 176.117 -0.179 0.000 1.005 63 I CA -0.921 60.283 61.300 -0.159 0.000 1.113 63 I CB 1.068 38.998 38.000 -0.116 0.000 1.289 63 I HN 0.370 nan 8.210 nan 0.000 0.436 64 K N 2.938 123.023 120.400 -0.524 0.000 3.054 64 K HA 0.407 4.729 4.320 0.003 0.000 0.348 64 K C -0.135 176.189 176.600 -0.461 0.000 1.024 64 K CA 0.229 55.968 56.287 -0.915 0.000 1.316 64 K CB 0.115 32.023 32.500 -0.988 0.000 1.328 64 K HN 0.599 nan 8.250 nan 0.000 0.534 65 K N 0.201 120.368 120.400 -0.388 0.000 2.482 65 K HA 0.330 4.652 4.320 0.003 0.000 0.257 65 K C -1.124 175.382 176.600 -0.157 0.000 0.969 65 K CA -0.564 55.585 56.287 -0.230 0.000 0.842 65 K CB 1.538 33.910 32.500 -0.214 0.000 1.359 65 K HN 0.051 nan 8.250 nan 0.000 0.441 66 K N 2.456 122.790 120.400 -0.110 0.000 2.292 66 K HA 0.202 4.524 4.320 0.003 0.000 0.270 66 K C -0.743 175.814 176.600 -0.072 0.000 1.062 66 K CA 0.350 56.589 56.287 -0.079 0.000 0.916 66 K CB 0.606 33.070 32.500 -0.060 0.000 1.166 66 K HN 0.655 nan 8.250 nan 0.000 0.458 67 D N 0.285 120.643 120.400 -0.070 0.000 3.955 67 D HA -0.208 4.434 4.640 0.003 0.000 0.201 67 D C 0.282 176.540 176.300 -0.071 0.000 1.010 67 D CA 1.368 55.332 54.000 -0.059 0.000 2.311 67 D CB -0.825 39.947 40.800 -0.047 0.000 1.173 67 D HN 0.500 nan 8.370 nan 0.000 0.455 68 S N -0.824 114.828 115.700 -0.079 0.000 2.612 68 S HA 0.339 4.810 4.470 0.003 0.000 0.253 68 S C 0.686 175.206 174.600 -0.132 0.000 1.346 68 S CA 1.203 59.350 58.200 -0.088 0.000 0.976 68 S CB 0.652 63.805 63.200 -0.077 0.000 0.949 68 S HN 0.363 nan 8.310 nan 0.000 0.584 69 T N 0.638 115.117 114.554 -0.126 0.000 3.374 69 T HA 0.342 4.694 4.350 0.003 0.000 0.267 69 T C -0.359 174.237 174.700 -0.173 0.000 0.996 69 T CA -0.636 61.362 62.100 -0.171 0.000 0.977 69 T CB -0.197 68.617 68.868 -0.090 0.000 1.149 69 T HN 0.529 nan 8.240 nan 0.000 0.517 70 K N 0.580 120.866 120.400 -0.190 0.000 2.156 70 K HA 0.593 4.915 4.320 0.003 0.000 0.254 70 K C -1.417 175.065 176.600 -0.198 0.000 0.950 70 K CA -0.797 55.429 56.287 -0.103 0.000 0.849 70 K CB 1.321 33.796 32.500 -0.042 0.000 1.100 70 K HN 0.245 nan 8.250 nan 0.000 0.434 71 W N 2.989 124.268 121.300 -0.034 0.000 2.516 71 W HA 0.468 5.129 4.660 0.003 0.000 0.343 71 W C -0.192 176.295 176.519 -0.053 0.000 1.094 71 W CA -0.669 56.643 57.345 -0.055 0.000 1.250 71 W CB 1.490 30.917 29.460 -0.054 0.000 1.308 71 W HN 0.422 nan 8.180 nan 0.000 0.588 72 R N 2.407 123.044 120.500 0.227 0.000 2.513 72 R HA 0.419 4.760 4.340 0.003 0.000 0.301 72 R C -0.937 175.408 176.300 0.076 0.000 0.968 72 R CA -1.237 54.930 56.100 0.111 0.000 0.872 72 R CB 1.891 32.218 30.300 0.046 0.000 1.177 72 R HN 0.383 nan 8.270 nan 0.000 0.444 73 K N 3.893 124.329 120.400 0.059 0.000 2.322 73 K HA 0.271 4.593 4.320 0.003 0.000 0.283 73 K C -0.795 175.822 176.600 0.028 0.000 1.042 73 K CA -0.237 56.060 56.287 0.017 0.000 0.958 73 K CB 0.600 33.096 32.500 -0.007 0.000 0.984 73 K HN 0.541 nan 8.250 nan 0.000 0.473 74 L N 4.975 126.211 121.223 0.022 0.000 2.343 74 L HA 0.405 4.747 4.340 0.003 0.000 0.278 74 L C -0.824 176.041 176.870 -0.009 0.000 0.996 74 L CA -1.256 53.618 54.840 0.056 0.000 0.831 74 L CB 1.717 43.864 42.059 0.148 0.000 1.232 74 L HN 0.314 nan 8.230 nan 0.000 0.413 75 V N 1.358 121.201 119.914 -0.118 0.000 2.427 75 V HA 0.221 4.342 4.120 0.003 0.000 0.286 75 V C -0.388 175.488 176.094 -0.363 0.000 1.034 75 V CA -0.338 61.737 62.300 -0.376 0.000 0.893 75 V CB 2.099 33.503 31.823 -0.698 0.000 0.982 75 V HN 0.648 nan 8.190 nan 0.000 0.452 76 D N 3.435 123.649 120.400 -0.310 0.000 2.499 76 D HA 0.302 4.944 4.640 0.003 0.000 0.225 76 D C 0.187 176.425 176.300 -0.104 0.000 1.124 76 D CA -0.378 53.545 54.000 -0.128 0.000 0.938 76 D CB 0.268 41.041 40.800 -0.045 0.000 1.014 76 D HN 0.341 nan 8.370 nan 0.000 0.517 77 F N 1.899 121.918 119.950 0.115 0.000 2.716 77 F HA 0.185 4.714 4.527 0.003 0.000 0.301 77 F C 2.067 177.959 175.800 0.153 0.000 1.210 77 F CA -0.049 58.044 58.000 0.154 0.000 1.422 77 F CB -0.127 38.997 39.000 0.206 0.000 1.073 77 F HN 0.282 nan 8.300 nan 0.000 0.525 78 R N -0.103 120.540 120.500 0.237 0.000 2.127 78 R HA -0.210 4.132 4.340 0.003 0.000 0.238 78 R C 1.787 178.192 176.300 0.175 0.000 1.134 78 R CA 1.546 57.750 56.100 0.173 0.000 0.975 78 R CB -0.119 30.242 30.300 0.102 0.000 0.865 78 R HN 0.259 nan 8.270 nan 0.000 0.447 79 E N 0.388 120.701 120.200 0.189 0.000 2.102 79 E HA -0.060 4.292 4.350 0.003 0.000 0.190 79 E C 1.680 178.400 176.600 0.201 0.000 0.971 79 E CA 0.206 56.707 56.400 0.168 0.000 0.821 79 E CB -0.054 29.732 29.700 0.144 0.000 0.777 79 E HN 0.063 nan 8.360 nan 0.000 0.460 80 L N 0.994 122.385 121.223 0.281 0.000 2.131 80 L HA -0.114 4.228 4.340 0.003 0.000 0.210 80 L C 1.342 178.425 176.870 0.354 0.000 1.092 80 L CA 1.702 56.716 54.840 0.289 0.000 0.759 80 L CB -0.611 41.660 42.059 0.355 0.000 0.903 80 L HN 0.068 nan 8.230 nan 0.000 0.435 81 N N 0.716 119.633 118.700 0.362 0.000 2.166 81 N HA -0.213 4.528 4.740 0.003 0.000 0.186 81 N C 1.708 177.323 175.510 0.174 0.000 1.019 81 N CA 1.668 54.883 53.050 0.275 0.000 0.856 81 N CB -0.299 38.322 38.487 0.223 0.000 0.993 81 N HN 0.595 nan 8.380 nan 0.000 0.426 82 K N 0.635 121.125 120.400 0.151 0.000 2.504 82 K HA 0.089 4.411 4.320 0.003 0.000 0.195 82 K C 1.319 177.972 176.600 0.088 0.000 1.036 82 K CA 0.916 57.264 56.287 0.100 0.000 0.984 82 K CB 0.240 32.792 32.500 0.086 0.000 0.788 82 K HN 0.015 nan 8.250 nan 0.000 0.488 83 R N -0.160 120.406 120.500 0.111 0.000 2.404 83 R HA 0.159 4.500 4.340 0.003 0.000 0.237 83 R C -0.259 176.098 176.300 0.095 0.000 0.907 83 R CA -0.050 56.093 56.100 0.072 0.000 1.063 83 R CB 0.898 31.218 30.300 0.034 0.000 1.134 83 R HN 0.043 nan 8.270 nan 0.000 0.529 84 T N 2.237 116.901 114.554 0.183 0.000 2.904 84 T HA 0.070 4.422 4.350 0.003 0.000 0.290 84 T C 0.294 175.027 174.700 0.056 0.000 1.018 84 T CA -0.430 61.813 62.100 0.238 0.000 1.075 84 T CB 1.270 70.408 68.868 0.451 0.000 0.986 84 T HN 0.195 nan 8.240 nan 0.000 0.523 85 Q N 1.836 121.588 119.800 -0.081 0.000 2.722 85 Q HA 0.237 4.579 4.340 0.003 0.000 0.214 85 Q C -0.741 175.052 176.000 -0.345 0.000 1.109 85 Q CA -0.503 55.153 55.803 -0.246 0.000 1.066 85 Q CB 0.426 28.929 28.738 -0.392 0.000 1.290 85 Q HN 0.420 nan 8.270 nan 0.000 0.620 86 D N -0.316 119.889 120.400 -0.325 0.000 2.193 86 D HA 0.383 5.025 4.640 0.003 0.000 0.249 86 D C -0.876 175.166 176.300 -0.430 0.000 1.034 86 D CA -0.161 53.718 54.000 -0.201 0.000 0.902 86 D CB 0.753 41.511 40.800 -0.069 0.000 1.182 86 D HN 0.331 nan 8.370 nan 0.000 0.436 87 F N -0.289 119.622 119.950 -0.064 0.000 2.572 87 F HA 0.318 4.847 4.527 0.003 0.000 0.342 87 F C 0.603 176.466 175.800 0.104 0.000 1.064 87 F CA -1.218 56.770 58.000 -0.020 0.000 1.008 87 F CB 1.037 39.966 39.000 -0.117 0.000 1.303 87 F HN 0.246 nan 8.300 nan 0.000 0.492 88 W N 2.049 123.407 121.300 0.096 0.000 2.181 88 W HA 0.072 4.733 4.660 0.003 0.000 0.335 88 W C -0.081 176.459 176.519 0.036 0.000 1.310 88 W CA -0.642 56.725 57.345 0.037 0.000 1.226 88 W CB 0.689 30.163 29.460 0.022 0.000 1.155 88 W HN 0.370 nan 8.180 nan 0.000 0.565 89 E N 3.434 123.024 120.200 -1.016 0.000 2.480 89 E HA -0.062 4.290 4.350 0.003 0.000 0.258 89 E C 1.025 177.136 176.600 -0.815 0.000 0.984 89 E CA 0.111 55.958 56.400 -0.922 0.000 0.930 89 E CB 0.978 30.042 29.700 -1.059 0.000 0.936 89 E HN 0.382 nan 8.360 nan 0.000 0.466 90 V N 2.990 122.659 119.914 -0.409 0.000 2.288 90 V HA -0.273 3.849 4.120 0.003 0.000 0.229 90 V C 1.039 176.993 176.094 -0.234 0.000 0.983 90 V CA 1.966 64.111 62.300 -0.258 0.000 1.006 90 V CB -0.318 31.397 31.823 -0.179 0.000 0.660 90 V HN 0.657 nan 8.190 nan 0.000 0.490 91 Q N 0.006 119.708 119.800 -0.163 0.000 2.331 91 Q HA 0.357 4.699 4.340 0.003 0.000 0.267 91 Q C -0.958 174.985 176.000 -0.095 0.000 1.006 91 Q CA -0.290 55.460 55.803 -0.088 0.000 0.818 91 Q CB 1.322 30.058 28.738 -0.003 0.000 1.276 91 Q HN 0.393 nan 8.270 nan 0.000 0.450 92 L N 4.012 125.184 121.223 -0.085 0.000 2.796 92 L HA 0.677 5.019 4.340 0.003 0.000 0.235 92 L C 0.321 177.191 176.870 0.000 0.000 1.344 92 L CA 0.293 55.091 54.840 -0.071 0.000 1.245 92 L CB -1.150 40.860 42.059 -0.082 0.000 1.556 92 L HN 0.819 nan 8.230 nan 0.000 0.423 93 G N 1.432 110.251 108.800 0.032 0.000 2.321 93 G HA2 0.162 4.124 3.960 0.003 0.000 0.339 93 G HA3 0.162 4.124 3.960 0.003 0.000 0.339 93 G C -1.282 173.689 174.900 0.117 0.000 1.518 93 G CA -0.825 44.314 45.100 0.065 0.000 0.994 93 G HN 0.244 nan 8.290 nan 0.000 0.668 94 I N -0.552 120.107 120.570 0.149 0.000 2.509 94 I HA 0.764 4.936 4.170 0.003 0.000 0.293 94 I C -2.193 174.021 176.117 0.162 0.000 1.020 94 I CA -2.552 58.885 61.300 0.227 0.000 1.088 94 I CB 2.003 40.192 38.000 0.316 0.000 1.267 94 I HN 0.365 nan 8.210 nan 0.000 0.430 95 P HA -0.020 nan 4.420 nan 0.000 0.263 95 P C -0.964 176.288 177.300 -0.079 0.000 1.168 95 P CA 0.447 63.529 63.100 -0.029 0.000 0.759 95 P CB 0.171 31.778 31.700 -0.156 0.000 0.782 96 H N 3.992 122.915 119.070 -0.246 0.000 2.467 96 H HA 0.188 4.746 4.556 0.002 0.000 0.326 96 H C -1.702 173.288 175.328 -0.563 0.000 1.094 96 H CA -2.181 53.630 56.048 -0.395 0.000 1.253 96 H CB 1.493 31.027 29.762 -0.380 0.000 1.439 96 H HN 0.208 nan 8.280 nan 0.000 0.479 97 P HA -0.164 nan 4.420 nan 0.000 0.216 97 P C 0.988 177.949 177.300 -0.565 0.000 1.154 97 P CA 2.062 64.618 63.100 -0.906 0.000 0.865 97 P CB 0.070 30.760 31.700 -1.683 0.000 0.789 98 A N -0.741 121.814 122.820 -0.442 0.000 2.216 98 A HA 0.053 4.374 4.320 0.003 0.000 0.214 98 A C 2.175 179.917 177.584 0.263 0.000 1.160 98 A CA 1.534 53.626 52.037 0.092 0.000 0.725 98 A CB -1.436 17.755 19.000 0.318 0.000 0.784 98 A HN 0.320 nan 8.150 nan 0.000 0.472 99 G N -1.045 107.730 108.800 -0.041 0.000 2.986 99 G HA2 0.350 4.311 3.960 0.003 0.000 0.213 99 G HA3 0.350 4.311 3.960 0.003 0.000 0.213 99 G C 0.424 175.401 174.900 0.128 0.000 1.156 99 G CA -0.324 44.696 45.100 -0.133 0.000 0.763 99 G HN 0.378 nan 8.290 nan 0.000 0.547 100 L N 1.663 122.971 121.223 0.142 0.000 2.360 100 L HA 0.256 4.597 4.340 0.003 0.000 0.276 100 L C 0.097 177.087 176.870 0.199 0.000 1.121 100 L CA -0.305 54.594 54.840 0.099 0.000 0.845 100 L CB 1.028 43.048 42.059 -0.064 0.000 1.143 100 L HN 0.028 nan 8.230 nan 0.000 0.452 101 K N 3.683 124.145 120.400 0.103 0.000 2.322 101 K HA 0.166 4.488 4.320 0.003 0.000 0.283 101 K C -0.168 176.394 176.600 -0.065 0.000 1.042 101 K CA -0.579 55.748 56.287 0.066 0.000 0.958 101 K CB 1.069 33.584 32.500 0.025 0.000 0.984 101 K HN 0.372 nan 8.250 nan 0.000 0.473 102 K N 2.636 123.026 120.400 -0.017 0.000 2.451 102 K HA -0.019 4.303 4.320 0.003 0.000 0.280 102 K C -0.535 176.013 176.600 -0.087 0.000 1.020 102 K CA 0.367 56.603 56.287 -0.084 0.000 1.008 102 K CB 0.450 33.002 32.500 0.087 0.000 0.917 102 K HN 0.218 nan 8.250 nan 0.000 0.478 103 K N 2.811 123.136 120.400 -0.124 0.000 2.328 103 K HA 0.242 4.564 4.320 0.003 0.000 0.246 103 K C 0.477 177.030 176.600 -0.079 0.000 0.955 103 K CA -0.760 55.468 56.287 -0.099 0.000 0.817 103 K CB 1.471 33.899 32.500 -0.119 0.000 1.208 103 K HN 0.310 nan 8.250 nan 0.000 0.432 104 K N 0.241 120.588 120.400 -0.088 0.000 1.978 104 K HA 0.025 4.347 4.320 0.003 0.000 0.214 104 K C -0.072 176.483 176.600 -0.077 0.000 1.049 104 K CA 1.366 57.608 56.287 -0.075 0.000 0.939 104 K CB -0.033 32.411 32.500 -0.093 0.000 0.721 104 K HN 0.518 nan 8.250 nan 0.000 0.441 105 S N -0.609 114.982 115.700 -0.180 0.000 2.541 105 S HA 0.366 4.838 4.470 0.003 0.000 0.280 105 S C -1.289 173.255 174.600 -0.094 0.000 1.112 105 S CA -0.886 57.253 58.200 -0.101 0.000 0.925 105 S CB 2.492 65.680 63.200 -0.021 0.000 1.067 105 S HN 0.135 nan 8.310 nan 0.000 0.479 106 V N 2.162 122.167 119.914 0.153 0.000 2.531 106 V HA 0.927 5.049 4.120 0.003 0.000 0.301 106 V C -0.480 175.804 176.094 0.316 0.000 1.034 106 V CA -0.240 62.177 62.300 0.196 0.000 0.865 106 V CB 1.369 33.274 31.823 0.138 0.000 0.995 106 V HN 0.949 nan 8.190 nan 0.000 0.424 107 T N 3.480 118.171 114.554 0.229 0.000 2.841 107 T HA 0.649 5.000 4.350 0.003 0.000 0.283 107 T C -0.597 174.102 174.700 -0.000 0.000 1.000 107 T CA -0.375 61.817 62.100 0.153 0.000 0.977 107 T CB 1.448 70.380 68.868 0.107 0.000 0.979 107 T HN 1.603 nan 8.240 nan 0.000 0.446 108 V N 6.247 126.120 119.914 -0.068 0.000 2.383 108 V HA 0.598 4.720 4.120 0.003 0.000 0.275 108 V C -0.850 175.214 176.094 -0.051 0.000 1.036 108 V CA -0.865 61.373 62.300 -0.103 0.000 0.889 108 V CB 0.301 32.014 31.823 -0.184 0.000 0.985 108 V HN 0.909 nan 8.190 nan 0.000 0.459 109 L N 6.701 127.859 121.223 -0.108 0.000 2.294 109 L HA 0.535 4.877 4.340 0.003 0.000 0.283 109 L C -0.671 176.140 176.870 -0.098 0.000 1.015 109 L CA -0.752 54.044 54.840 -0.075 0.000 0.831 109 L CB 1.609 43.619 42.059 -0.081 0.000 1.217 109 L HN 0.820 nan 8.230 nan 0.000 0.420 110 D N 2.595 122.968 120.400 -0.045 0.000 2.317 110 D HA 0.355 4.997 4.640 0.003 0.000 0.234 110 D C -0.040 176.244 176.300 -0.026 0.000 1.112 110 D CA -0.567 53.409 54.000 -0.041 0.000 0.840 110 D CB 1.548 42.342 40.800 -0.010 0.000 1.078 110 D HN 0.048 nan 8.370 nan 0.000 0.486 111 V N 2.410 122.313 119.914 -0.019 0.000 2.901 111 V HA 0.375 4.496 4.120 0.003 0.000 0.307 111 V C 1.320 177.399 176.094 -0.026 0.000 1.084 111 V CA 0.225 62.534 62.300 0.015 0.000 1.184 111 V CB 1.017 32.905 31.823 0.108 0.000 0.941 111 V HN 0.798 nan 8.190 nan 0.000 0.493 112 G N 1.233 110.030 108.800 -0.005 0.000 2.372 112 G HA2 0.506 4.468 3.960 0.003 0.000 0.323 112 G HA3 0.506 4.468 3.960 0.003 0.000 0.323 112 G C -0.399 174.488 174.900 -0.020 0.000 1.152 112 G CA -0.324 44.761 45.100 -0.025 0.000 0.906 112 G HN 0.812 nan 8.290 nan 0.000 0.460 113 D N 0.372 120.728 120.400 -0.074 0.000 2.803 113 D HA -0.184 4.458 4.640 0.003 0.000 0.233 113 D C 1.595 177.859 176.300 -0.060 0.000 1.182 113 D CA 0.987 54.936 54.000 -0.085 0.000 0.726 113 D CB -0.782 40.043 40.800 0.043 0.000 0.987 113 D HN 0.659 nan 8.370 nan 0.000 0.412 114 A N 0.283 122.995 122.820 -0.181 0.000 1.841 114 A HA -0.238 4.084 4.320 0.003 0.000 0.216 114 A C 1.985 179.639 177.584 0.116 0.000 1.199 114 A CA 1.728 53.689 52.037 -0.126 0.000 0.621 114 A CB -0.894 17.689 19.000 -0.696 0.000 0.835 114 A HN 0.640 nan 8.150 nan 0.000 0.445 115 Y N -1.835 118.316 120.300 -0.248 0.000 2.193 115 Y HA -0.269 4.282 4.550 0.003 0.000 0.285 115 Y C 2.254 178.286 175.900 0.220 0.000 1.166 115 Y CA 0.780 58.833 58.100 -0.077 0.000 1.181 115 Y CB -0.278 38.028 38.460 -0.257 0.000 0.976 115 Y HN 0.342 nan 8.280 nan 0.000 0.520 116 F N -1.040 119.057 119.950 0.244 0.000 2.456 116 F HA -0.067 4.462 4.527 0.003 0.000 0.298 116 F C 2.232 178.134 175.800 0.170 0.000 1.104 116 F CA 0.428 58.545 58.000 0.196 0.000 1.435 116 F CB -0.989 38.106 39.000 0.158 0.000 1.078 116 F HN -0.223 nan 8.300 nan 0.000 0.546 117 S N -0.218 115.690 115.700 0.346 0.000 2.720 117 S HA 0.127 4.599 4.470 0.003 0.000 0.222 117 S C 0.370 175.122 174.600 0.254 0.000 0.958 117 S CA 0.141 58.499 58.200 0.264 0.000 0.943 117 S CB -0.527 62.813 63.200 0.233 0.000 0.779 117 S HN 0.073 nan 8.310 nan 0.000 0.526 118 V N 1.317 121.396 119.914 0.275 0.000 2.668 118 V HA 0.537 4.659 4.120 0.003 0.000 0.304 118 V C -2.862 173.343 176.094 0.186 0.000 1.071 118 V CA -2.597 59.832 62.300 0.215 0.000 0.894 118 V CB 2.216 34.159 31.823 0.200 0.000 1.008 118 V HN -0.096 nan 8.190 nan 0.000 0.425 119 P HA 0.097 nan 4.420 nan 0.000 0.271 119 P C -0.982 176.392 177.300 0.123 0.000 1.228 119 P CA 0.063 63.239 63.100 0.127 0.000 0.797 119 P CB 0.638 32.403 31.700 0.108 0.000 0.914 120 L N 0.526 121.816 121.223 0.112 0.000 2.410 120 L HA 0.443 4.785 4.340 0.003 0.000 0.270 120 L C -0.648 176.288 176.870 0.110 0.000 0.983 120 L CA -0.995 53.907 54.840 0.102 0.000 0.822 120 L CB 1.128 43.232 42.059 0.075 0.000 1.285 120 L HN 0.168 nan 8.230 nan 0.000 0.409 121 D N 2.964 123.439 120.400 0.125 0.000 2.659 121 D HA -0.125 4.516 4.640 0.003 0.000 0.264 121 D C 1.210 177.602 176.300 0.152 0.000 1.329 121 D CA 0.991 55.075 54.000 0.139 0.000 0.963 121 D CB 0.578 41.476 40.800 0.162 0.000 1.136 121 D HN 0.783 nan 8.370 nan 0.000 0.554 122 E N 2.388 122.651 120.200 0.105 0.000 2.276 122 E HA -0.301 4.051 4.350 0.003 0.000 0.226 122 E C 0.924 177.564 176.600 0.066 0.000 1.090 122 E CA 2.360 58.805 56.400 0.075 0.000 0.930 122 E CB 0.170 29.906 29.700 0.060 0.000 0.791 122 E HN 0.644 nan 8.360 nan 0.000 0.467 123 D N -1.332 119.128 120.400 0.100 0.000 2.355 123 D HA -0.086 4.555 4.640 0.003 0.000 0.218 123 D C 1.306 177.664 176.300 0.097 0.000 1.004 123 D CA 0.354 54.402 54.000 0.079 0.000 0.880 123 D CB -0.024 40.843 40.800 0.112 0.000 0.911 123 D HN 0.221 nan 8.370 nan 0.000 0.528 124 F N 1.515 121.482 119.950 0.028 0.000 2.437 124 F HA 0.174 4.703 4.527 0.003 0.000 0.288 124 F C 2.249 178.017 175.800 -0.054 0.000 1.085 124 F CA 0.029 58.094 58.000 0.108 0.000 1.430 124 F CB 0.136 39.217 39.000 0.135 0.000 1.120 124 F HN -0.328 nan 8.300 nan 0.000 0.556 125 R N 0.940 121.438 120.500 -0.004 0.000 2.234 125 R HA -0.334 4.007 4.340 0.003 0.000 0.262 125 R C 2.024 178.217 176.300 -0.178 0.000 1.150 125 R CA 2.713 58.780 56.100 -0.054 0.000 0.981 125 R CB -0.508 29.793 30.300 0.000 0.000 0.899 125 R HN 0.375 nan 8.270 nan 0.000 0.458 126 K N -0.904 119.290 120.400 -0.344 0.000 2.211 126 K HA -0.197 4.125 4.320 0.003 0.000 0.204 126 K C 1.450 177.789 176.600 -0.434 0.000 1.047 126 K CA 1.933 57.998 56.287 -0.370 0.000 0.935 126 K CB -0.460 31.798 32.500 -0.404 0.000 0.728 126 K HN 0.384 nan 8.250 nan 0.000 0.452 127 Y N 1.758 121.790 120.300 -0.446 0.000 2.516 127 Y HA -0.049 4.503 4.550 0.003 0.000 0.291 127 Y C 2.149 177.924 175.900 -0.208 0.000 1.131 127 Y CA 0.837 58.591 58.100 -0.577 0.000 1.281 127 Y CB -0.081 37.763 38.460 -1.026 0.000 1.013 127 Y HN 0.282 nan 8.280 nan 0.000 0.554 128 T N -1.725 112.840 114.554 0.019 0.000 3.194 128 T HA 0.331 4.683 4.350 0.003 0.000 0.251 128 T C 0.856 175.828 174.700 0.454 0.000 1.132 128 T CA -0.026 62.245 62.100 0.287 0.000 1.028 128 T CB -0.637 68.385 68.868 0.255 0.000 0.976 128 T HN 0.222 nan 8.240 nan 0.000 0.535 129 A N 1.783 124.777 122.820 0.290 0.000 2.567 129 A HA 0.489 4.811 4.320 0.003 0.000 0.240 129 A C -0.000 177.793 177.584 0.349 0.000 1.053 129 A CA -0.293 51.890 52.037 0.243 0.000 0.755 129 A CB -0.677 18.437 19.000 0.190 0.000 0.978 129 A HN 0.846 nan 8.150 nan 0.000 0.507 130 F N -0.262 119.786 119.950 0.163 0.000 2.643 130 F HA 0.840 5.369 4.527 0.003 0.000 0.314 130 F C -0.420 175.446 175.800 0.110 0.000 1.096 130 F CA -0.739 57.340 58.000 0.132 0.000 0.953 130 F CB 1.510 40.586 39.000 0.126 0.000 1.345 130 F HN 0.376 nan 8.300 nan 0.000 0.468 131 T N 2.571 117.266 114.554 0.236 0.000 2.881 131 T HA 0.544 4.896 4.350 0.003 0.000 0.290 131 T C -0.624 174.179 174.700 0.173 0.000 1.000 131 T CA -0.423 61.720 62.100 0.072 0.000 0.978 131 T CB 1.546 70.432 68.868 0.030 0.000 0.997 131 T HN 0.640 nan 8.240 nan 0.000 0.443 132 I N 5.268 125.901 120.570 0.105 0.000 2.291 132 I HA 0.256 4.428 4.170 0.003 0.000 0.292 132 I C -1.862 174.278 176.117 0.039 0.000 1.064 132 I CA -2.358 59.016 61.300 0.124 0.000 1.269 132 I CB 0.812 38.893 38.000 0.135 0.000 1.418 132 I HN 0.323 nan 8.210 nan 0.000 0.485 133 P HA -0.016 nan 4.420 nan 0.000 0.268 133 P C -0.080 177.210 177.300 -0.017 0.000 1.208 133 P CA 0.002 63.105 63.100 0.004 0.000 0.777 133 P CB 1.013 32.718 31.700 0.009 0.000 0.875 134 S N 1.582 117.261 115.700 -0.035 0.000 2.655 134 S HA 0.272 4.744 4.470 0.003 0.000 0.265 134 S C 0.583 175.157 174.600 -0.043 0.000 1.240 134 S CA -0.804 57.371 58.200 -0.041 0.000 0.986 134 S CB -0.270 62.902 63.200 -0.047 0.000 0.985 134 S HN 0.285 nan 8.310 nan 0.000 0.562 135 I N 3.813 124.358 120.570 -0.042 0.000 2.593 135 I HA 0.124 4.296 4.170 0.003 0.000 0.304 135 I C 0.321 176.408 176.117 -0.049 0.000 1.176 135 I CA 0.179 61.454 61.300 -0.042 0.000 1.533 135 I CB -1.779 36.200 38.000 -0.035 0.000 1.492 135 I HN 0.700 nan 8.210 nan 0.000 0.704 136 N N 3.529 122.192 118.700 -0.061 0.000 1.416 136 N HA -0.245 4.497 4.740 0.003 0.000 0.193 136 N C 0.629 176.089 175.510 -0.082 0.000 0.901 136 N CA 0.747 53.749 53.050 -0.079 0.000 1.131 136 N CB -0.829 37.617 38.487 -0.067 0.000 1.521 136 N HN 0.473 nan 8.380 nan 0.000 0.464 137 N N 1.148 119.802 118.700 -0.077 0.000 2.387 137 N HA 0.020 4.761 4.740 0.003 0.000 0.176 137 N C -0.778 174.698 175.510 -0.056 0.000 1.022 137 N CA 0.545 53.552 53.050 -0.071 0.000 0.883 137 N CB -0.031 38.414 38.487 -0.070 0.000 1.019 137 N HN 0.510 nan 8.380 nan 0.000 0.435 138 E N 1.299 121.468 120.200 -0.051 0.000 2.529 138 E HA 0.029 4.380 4.350 0.003 0.000 0.259 138 E C -0.263 176.310 176.600 -0.045 0.000 0.966 138 E CA 0.473 56.847 56.400 -0.044 0.000 0.937 138 E CB 0.065 29.742 29.700 -0.039 0.000 0.923 138 E HN 0.014 nan 8.360 nan 0.000 0.468 139 T N 1.923 116.451 114.554 -0.044 0.000 0.564 139 T HA -0.089 4.263 4.350 0.003 0.000 0.771 139 T C -2.483 172.187 174.700 -0.051 0.000 0.992 139 T CA -0.601 61.471 62.100 -0.047 0.000 4.064 139 T CB -0.747 68.094 68.868 -0.046 0.000 2.295 139 T HN 0.430 nan 8.240 nan 0.000 0.396 140 P HA 0.390 nan 4.420 nan 0.000 0.267 140 P C 0.834 178.092 177.300 -0.070 0.000 1.205 140 P CA 0.036 63.099 63.100 -0.060 0.000 0.765 140 P CB 0.457 32.119 31.700 -0.064 0.000 0.828 141 G N 3.012 111.772 108.800 -0.067 0.000 2.716 141 G HA2 0.261 4.223 3.960 0.003 0.000 0.251 141 G HA3 0.261 4.223 3.960 0.003 0.000 0.251 141 G C -0.251 174.576 174.900 -0.122 0.000 1.224 141 G CA -0.675 44.381 45.100 -0.074 0.000 0.891 141 G HN 0.449 nan 8.290 nan 0.000 0.561 142 I N 0.868 121.348 120.570 -0.151 0.000 2.371 142 I HA 0.278 4.450 4.170 0.003 0.000 0.290 142 I C 0.206 176.095 176.117 -0.380 0.000 1.028 142 I CA -0.518 60.611 61.300 -0.284 0.000 1.345 142 I CB 0.985 38.794 38.000 -0.319 0.000 1.407 142 I HN 0.153 nan 8.210 nan 0.000 0.501 143 R N 6.007 126.243 120.500 -0.441 0.000 2.460 143 R HA 0.575 4.917 4.340 0.003 0.000 0.303 143 R C -1.219 174.735 176.300 -0.577 0.000 0.968 143 R CA -0.740 55.109 56.100 -0.418 0.000 0.889 143 R CB 1.652 31.805 30.300 -0.245 0.000 1.123 143 R HN 0.438 nan 8.270 nan 0.000 0.455 144 Y N 0.108 120.083 120.300 -0.540 0.000 2.790 144 Y HA 0.388 4.940 4.550 0.003 0.000 0.323 144 Y C -0.039 175.613 175.900 -0.414 0.000 1.230 144 Y CA -0.767 57.014 58.100 -0.533 0.000 1.121 144 Y CB 1.778 39.767 38.460 -0.785 0.000 1.328 144 Y HN 0.466 nan 8.280 nan 0.000 0.514 145 Q N -0.721 119.060 119.800 -0.032 0.000 2.503 145 Q HA 0.397 4.739 4.340 0.003 0.000 0.268 145 Q C -2.288 173.743 176.000 0.052 0.000 0.982 145 Q CA -0.970 54.880 55.803 0.077 0.000 0.907 145 Q CB 1.243 30.007 28.738 0.044 0.000 1.467 145 Q HN 0.589 nan 8.270 nan 0.000 0.394 146 Y N 1.710 122.091 120.300 0.134 0.000 2.457 146 Y HA 0.128 4.680 4.550 0.003 0.000 0.341 146 Y C 0.774 176.687 175.900 0.020 0.000 1.240 146 Y CA 1.044 59.185 58.100 0.070 0.000 1.437 146 Y CB 0.944 39.446 38.460 0.071 0.000 1.328 146 Y HN 0.801 nan 8.280 nan 0.000 0.588 147 N N -0.133 118.648 118.700 0.134 0.000 2.397 147 N HA 0.103 4.845 4.740 0.003 0.000 0.190 147 N C -0.498 175.095 175.510 0.138 0.000 1.099 147 N CA 0.136 53.245 53.050 0.098 0.000 0.876 147 N CB 0.721 39.235 38.487 0.045 0.000 1.143 147 N HN 0.363 nan 8.380 nan 0.000 0.468 148 V N -1.226 118.807 119.914 0.199 0.000 3.284 148 V HA 0.481 4.603 4.120 0.003 0.000 0.309 148 V C -0.057 176.189 176.094 0.254 0.000 1.190 148 V CA -1.222 61.220 62.300 0.237 0.000 1.038 148 V CB 0.812 32.806 31.823 0.285 0.000 1.198 148 V HN -0.065 nan 8.190 nan 0.000 0.465 149 L N 3.152 124.533 121.223 0.263 0.000 2.500 149 L HA 0.320 4.662 4.340 0.003 0.000 0.272 149 L C -2.108 174.877 176.870 0.192 0.000 1.149 149 L CA -1.176 53.757 54.840 0.155 0.000 0.897 149 L CB 0.252 42.335 42.059 0.040 0.000 1.178 149 L HN 0.560 nan 8.230 nan 0.000 0.473 150 P HA 0.129 nan 4.420 nan 0.000 0.282 150 P C -0.745 176.632 177.300 0.129 0.000 1.249 150 P CA -0.733 62.205 63.100 -0.270 0.000 0.806 150 P CB 0.923 31.943 31.700 -1.133 0.000 0.984 151 Q N 1.301 121.309 119.800 0.346 0.000 2.386 151 Q HA 0.342 4.684 4.340 0.003 0.000 0.282 151 Q C 1.460 177.653 176.000 0.321 0.000 1.050 151 Q CA 2.023 58.022 55.803 0.328 0.000 0.918 151 Q CB -0.616 28.235 28.738 0.188 0.000 1.266 151 Q HN 0.841 nan 8.270 nan 0.000 0.423 152 G N 1.866 110.830 108.800 0.274 0.000 2.155 152 G HA2 -0.281 3.681 3.960 0.003 0.000 0.257 152 G HA3 -0.281 3.681 3.960 0.003 0.000 0.257 152 G C -0.651 174.411 174.900 0.270 0.000 0.983 152 G CA 0.386 45.638 45.100 0.253 0.000 0.676 152 G HN 0.629 nan 8.290 nan 0.000 0.528 153 W N 0.832 122.074 121.300 -0.097 0.000 2.469 153 W HA 0.665 5.327 4.660 0.003 0.000 0.320 153 W C 1.105 177.491 176.519 -0.222 0.000 1.086 153 W CA -1.097 56.095 57.345 -0.256 0.000 1.211 153 W CB 0.854 29.951 29.460 -0.605 0.000 1.298 153 W HN -0.020 nan 8.180 nan 0.000 0.525 154 K N 2.356 122.259 120.400 -0.828 0.000 2.148 154 K HA -0.246 4.076 4.320 0.003 0.000 0.213 154 K C 1.587 177.442 176.600 -1.242 0.000 1.050 154 K CA 2.324 58.103 56.287 -0.848 0.000 0.932 154 K CB -0.596 31.591 32.500 -0.520 0.000 0.717 154 K HN 0.804 nan 8.250 nan 0.000 0.462 155 G N -1.135 106.320 108.800 -2.242 0.000 2.887 155 G HA2 -0.044 3.918 3.960 0.003 0.000 0.211 155 G HA3 -0.044 3.918 3.960 0.003 0.000 0.211 155 G C 1.280 175.446 174.900 -1.224 0.000 1.152 155 G CA 0.265 44.004 45.100 -2.270 0.000 0.769 155 G HN 0.225 nan 8.290 nan 0.000 0.541 156 S N 2.129 117.296 115.700 -0.889 0.000 2.359 156 S HA -0.113 4.358 4.470 0.003 0.000 0.223 156 S C 0.058 174.190 174.600 -0.780 0.000 1.039 156 S CA 1.686 59.418 58.200 -0.781 0.000 1.042 156 S CB -0.995 61.595 63.200 -1.017 0.000 0.915 156 S HN 0.339 nan 8.310 nan 0.000 0.439 157 P HA -0.069 nan 4.420 nan 0.000 0.215 157 P C 1.495 178.696 177.300 -0.165 0.000 1.157 157 P CA 1.642 64.635 63.100 -0.178 0.000 0.868 157 P CB -0.203 31.415 31.700 -0.136 0.000 0.788 158 A N -0.423 122.204 122.820 -0.320 0.000 1.835 158 A HA -0.196 4.125 4.320 0.003 0.000 0.215 158 A C 2.275 179.760 177.584 -0.165 0.000 1.199 158 A CA 1.943 53.833 52.037 -0.245 0.000 0.615 158 A CB -1.739 17.051 19.000 -0.349 0.000 0.838 158 A HN 0.100 nan 8.150 nan 0.000 0.444 159 I N -1.621 118.802 120.570 -0.245 0.000 2.118 159 I HA -0.281 3.891 4.170 0.003 0.000 0.241 159 I C 2.363 178.427 176.117 -0.087 0.000 1.070 159 I CA 1.953 63.174 61.300 -0.131 0.000 1.327 159 I CB -0.485 37.444 38.000 -0.118 0.000 1.034 159 I HN 0.473 nan 8.210 nan 0.000 0.405 160 F N 1.416 121.263 119.950 -0.173 0.000 2.091 160 F HA -0.335 4.194 4.527 0.002 0.000 0.299 160 F C 2.654 178.422 175.800 -0.053 0.000 1.103 160 F CA 2.138 60.088 58.000 -0.082 0.000 1.228 160 F CB -0.523 38.459 39.000 -0.029 0.000 0.984 160 F HN 0.094 nan 8.300 nan 0.000 0.477 161 Q N 0.020 119.799 119.800 -0.036 0.000 2.061 161 Q HA -0.246 4.096 4.340 0.003 0.000 0.204 161 Q C 2.525 178.412 176.000 -0.189 0.000 0.984 161 Q CA 2.306 58.061 55.803 -0.081 0.000 0.846 161 Q CB -0.474 28.272 28.738 0.013 0.000 0.902 161 Q HN 0.562 nan 8.270 nan 0.000 0.421 162 S N -0.270 115.349 115.700 -0.135 0.000 2.353 162 S HA -0.161 4.311 4.470 0.003 0.000 0.222 162 S C 2.137 176.629 174.600 -0.180 0.000 1.035 162 S CA 1.853 59.987 58.200 -0.109 0.000 1.025 162 S CB -0.442 62.724 63.200 -0.057 0.000 0.902 162 S HN 0.444 nan 8.310 nan 0.000 0.440 163 S N 1.626 117.187 115.700 -0.231 0.000 2.368 163 S HA -0.189 4.282 4.470 0.003 0.000 0.226 163 S C 1.889 176.281 174.600 -0.346 0.000 1.044 163 S CA 1.997 60.039 58.200 -0.263 0.000 1.062 163 S CB -0.628 62.415 63.200 -0.261 0.000 0.931 163 S HN 0.717 nan 8.310 nan 0.000 0.440 164 M N 1.574 120.876 119.600 -0.497 0.000 2.374 164 M HA -0.043 4.439 4.480 0.003 0.000 0.264 164 M C 1.688 177.833 176.300 -0.258 0.000 1.067 164 M CA 1.363 56.404 55.300 -0.432 0.000 1.103 164 M CB -0.805 31.441 32.600 -0.591 0.000 1.402 164 M HN 0.131 nan 8.290 nan 0.000 0.444 165 T N 0.000 114.427 114.554 -0.212 0.000 2.770 165 T HA -0.056 4.296 4.350 0.003 0.000 0.258 165 T C 1.763 176.378 174.700 -0.142 0.000 1.039 165 T CA 1.481 63.502 62.100 -0.133 0.000 1.143 165 T CB -0.102 68.716 68.868 -0.084 0.000 0.866 165 T HN 0.332 nan 8.240 nan 0.000 0.428 166 K N 0.757 121.053 120.400 -0.173 0.000 2.063 166 K HA 0.003 4.324 4.320 0.003 0.000 0.208 166 K C 2.037 178.455 176.600 -0.304 0.000 1.048 166 K CA 1.134 57.299 56.287 -0.203 0.000 0.928 166 K CB -0.380 31.996 32.500 -0.206 0.000 0.713 166 K HN 0.322 nan 8.250 nan 0.000 0.442 167 I N 0.287 120.625 120.570 -0.386 0.000 2.179 167 I HA -0.294 3.877 4.170 0.003 0.000 0.242 167 I C 1.824 177.848 176.117 -0.154 0.000 1.088 167 I CA 1.190 62.170 61.300 -0.533 0.000 1.357 167 I CB -0.198 37.486 38.000 -0.526 0.000 1.051 167 I HN 0.087 nan 8.210 nan 0.000 0.409 168 L N -0.023 121.148 121.223 -0.087 0.000 2.156 168 L HA -0.157 4.185 4.340 0.003 0.000 0.208 168 L C 2.468 179.351 176.870 0.023 0.000 1.095 168 L CA 0.924 55.770 54.840 0.010 0.000 0.770 168 L CB -0.706 41.326 42.059 -0.043 0.000 0.914 168 L HN 0.239 nan 8.230 nan 0.000 0.439 169 E N 0.371 120.555 120.200 -0.027 0.000 2.170 169 E HA -0.283 4.069 4.350 0.003 0.000 0.229 169 E C -0.485 176.120 176.600 0.008 0.000 1.074 169 E CA 2.591 58.982 56.400 -0.015 0.000 0.930 169 E CB -1.188 28.490 29.700 -0.037 0.000 0.806 169 E HN 0.276 nan 8.360 nan 0.000 0.478 170 P HA -0.221 nan 4.420 nan 0.000 0.207 170 P C 1.364 178.650 177.300 -0.023 0.000 0.954 170 P CA 1.378 64.474 63.100 -0.007 0.000 0.990 170 P CB -0.623 31.084 31.700 0.012 0.000 0.721 171 F N 0.324 120.117 119.950 -0.262 0.000 2.071 171 F HA -0.328 4.199 4.527 0.001 0.000 0.291 171 F C 2.440 178.174 175.800 -0.111 0.000 1.070 171 F CA 2.030 59.886 58.000 -0.239 0.000 1.262 171 F CB -0.689 38.127 39.000 -0.305 0.000 0.983 171 F HN -0.134 nan 8.300 nan 0.000 0.493 172 R N -0.581 120.053 120.500 0.224 0.000 2.148 172 R HA -0.156 4.186 4.340 0.003 0.000 0.227 172 R C 2.136 178.459 176.300 0.039 0.000 1.103 172 R CA 1.392 57.582 56.100 0.149 0.000 0.983 172 R CB -0.186 30.168 30.300 0.089 0.000 0.874 172 R HN 0.230 nan 8.270 nan 0.000 0.451 173 K N 0.671 121.069 120.400 -0.005 0.000 1.980 173 K HA -0.100 4.222 4.320 0.003 0.000 0.208 173 K C 1.611 178.171 176.600 -0.066 0.000 1.043 173 K CA 1.279 57.548 56.287 -0.029 0.000 0.938 173 K CB 0.117 32.599 32.500 -0.030 0.000 0.724 173 K HN 0.049 nan 8.250 nan 0.000 0.438 174 Q N 0.715 120.441 119.800 -0.125 0.000 2.307 174 Q HA -0.001 4.341 4.340 0.003 0.000 0.216 174 Q C -0.865 174.990 176.000 -0.241 0.000 0.931 174 Q CA 0.703 56.404 55.803 -0.169 0.000 0.953 174 Q CB -0.370 28.253 28.738 -0.193 0.000 1.006 174 Q HN 0.238 nan 8.270 nan 0.000 0.472 175 N N 0.621 119.218 118.700 -0.172 0.000 2.725 175 N HA 0.130 4.872 4.740 0.003 0.000 0.225 175 N C -2.553 172.964 175.510 0.011 0.000 1.465 175 N CA -0.658 52.319 53.050 -0.122 0.000 0.830 175 N CB 1.467 39.793 38.487 -0.270 0.000 1.460 175 N HN -0.020 nan 8.380 nan 0.000 0.538 176 P HA -0.065 nan 4.420 nan 0.000 0.217 176 P C 0.303 177.617 177.300 0.023 0.000 1.151 176 P CA 1.194 64.302 63.100 0.014 0.000 0.828 176 P CB 0.297 31.996 31.700 -0.002 0.000 0.788 177 D N -0.695 119.717 120.400 0.020 0.000 2.355 177 D HA 0.031 4.673 4.640 0.003 0.000 0.218 177 D C 0.575 176.894 176.300 0.032 0.000 1.004 177 D CA 0.496 54.507 54.000 0.018 0.000 0.880 177 D CB -0.280 40.525 40.800 0.008 0.000 0.911 177 D HN 0.241 nan 8.370 nan 0.000 0.528 178 I N 0.665 121.276 120.570 0.067 0.000 2.365 178 I HA 0.094 4.265 4.170 0.003 0.000 0.291 178 I C 0.209 176.369 176.117 0.071 0.000 1.004 178 I CA -0.744 60.611 61.300 0.092 0.000 1.311 178 I CB 1.857 39.971 38.000 0.191 0.000 1.401 178 I HN -0.355 nan 8.210 nan 0.000 0.491 179 V N 7.595 127.531 119.914 0.038 0.000 2.439 179 V HA 0.436 4.557 4.120 0.003 0.000 0.282 179 V C -0.088 176.015 176.094 0.015 0.000 1.039 179 V CA -0.376 61.936 62.300 0.019 0.000 0.913 179 V CB 1.352 33.171 31.823 -0.007 0.000 0.983 179 V HN 0.491 nan 8.190 nan 0.000 0.460 180 I N 5.584 126.159 120.570 0.008 0.000 2.448 180 I HA 0.324 4.496 4.170 0.003 0.000 0.281 180 I C -0.350 175.764 176.117 -0.005 0.000 1.027 180 I CA -0.158 61.132 61.300 -0.015 0.000 1.111 180 I CB 1.323 39.294 38.000 -0.047 0.000 1.236 180 I HN 0.475 nan 8.210 nan 0.000 0.452 181 C N 5.145 124.455 119.300 0.017 0.000 2.499 181 C HA 0.269 4.731 4.460 0.003 0.000 0.386 181 C C 0.443 175.464 174.990 0.052 0.000 1.293 181 C CA -0.448 58.609 59.018 0.065 0.000 1.884 181 C CB -0.105 27.705 27.740 0.116 0.000 2.509 181 C HN 0.610 nan 8.230 nan 0.000 0.566 182 Q N 2.100 121.941 119.800 0.069 0.000 2.340 182 Q HA 0.402 4.744 4.340 0.003 0.000 0.259 182 Q C -1.158 174.955 176.000 0.188 0.000 0.964 182 Q CA -0.122 55.713 55.803 0.053 0.000 0.900 182 Q CB 1.625 30.380 28.738 0.028 0.000 1.228 182 Q HN 0.808 nan 8.270 nan 0.000 0.449 183 Y N 4.487 124.815 120.300 0.047 0.000 2.333 183 Y HA 0.286 4.839 4.550 0.004 0.000 0.324 183 Y C 0.040 176.027 175.900 0.146 0.000 1.033 183 Y CA -0.352 57.860 58.100 0.186 0.000 1.224 183 Y CB 0.580 39.318 38.460 0.463 0.000 1.120 183 Y HN 0.895 nan 8.280 nan 0.000 0.457 184 M N 1.584 120.983 119.600 -0.334 0.000 7.319 184 M HA -0.350 4.132 4.480 0.003 0.000 0.307 184 M C -0.024 176.246 176.300 -0.050 0.000 0.480 184 M CA 2.304 57.443 55.300 -0.268 0.000 1.311 184 M CB -0.666 31.696 32.600 -0.397 0.000 0.421 184 M HN 0.818 nan 8.290 nan 0.000 0.740 185 D N 0.113 120.437 120.400 -0.128 0.000 2.587 185 D HA 0.376 5.018 4.640 0.003 0.000 0.233 185 D C -0.790 175.481 176.300 -0.049 0.000 1.213 185 D CA 0.044 53.950 54.000 -0.156 0.000 0.827 185 D CB -0.138 40.385 40.800 -0.462 0.000 1.006 185 D HN 0.289 nan 8.370 nan 0.000 0.490 186 D N -0.179 120.200 120.400 -0.036 0.000 2.350 186 D HA 0.513 5.154 4.640 0.003 0.000 0.238 186 D C -0.808 175.252 176.300 -0.400 0.000 0.989 186 D CA -0.555 53.317 54.000 -0.214 0.000 0.921 186 D CB 1.845 42.521 40.800 -0.206 0.000 1.297 186 D HN -0.039 nan 8.370 nan 0.000 0.490 187 L N 2.217 123.091 121.223 -0.581 0.000 2.406 187 L HA 0.406 4.748 4.340 0.003 0.000 0.272 187 L C -1.351 175.136 176.870 -0.639 0.000 0.980 187 L CA -0.758 53.791 54.840 -0.485 0.000 0.831 187 L CB 1.302 43.221 42.059 -0.234 0.000 1.253 187 L HN 0.431 nan 8.230 nan 0.000 0.406 188 Y N 2.960 123.184 120.300 -0.127 0.000 2.328 188 Y HA 0.574 5.126 4.550 0.002 0.000 0.336 188 Y C -0.093 175.722 175.900 -0.141 0.000 0.960 188 Y CA -1.042 56.934 58.100 -0.207 0.000 1.134 188 Y CB 2.144 40.414 38.460 -0.317 0.000 1.166 188 Y HN 0.136 nan 8.280 nan 0.000 0.464 189 V N 2.537 122.461 119.914 0.017 0.000 2.588 189 V HA 0.921 5.042 4.120 0.003 0.000 0.304 189 V C -0.059 176.086 176.094 0.085 0.000 1.042 189 V CA -0.731 61.593 62.300 0.039 0.000 0.877 189 V CB 1.732 33.582 31.823 0.044 0.000 0.996 189 V HN 0.927 nan 8.190 nan 0.000 0.425 190 G N 2.219 111.040 108.800 0.036 0.000 2.733 190 G HA2 0.789 4.751 3.960 0.003 0.000 0.297 190 G HA3 0.789 4.751 3.960 0.003 0.000 0.297 190 G C -0.937 173.904 174.900 -0.098 0.000 1.422 190 G CA -0.052 45.018 45.100 -0.050 0.000 0.942 190 G HN 1.074 nan 8.290 nan 0.000 0.510 191 S N -0.505 115.048 115.700 -0.246 0.000 2.625 191 S HA 0.583 5.054 4.470 0.003 0.000 0.271 191 S C -1.057 173.429 174.600 -0.191 0.000 1.161 191 S CA -0.802 57.301 58.200 -0.163 0.000 0.820 191 S CB 2.387 65.526 63.200 -0.102 0.000 1.137 191 S HN 0.303 nan 8.310 nan 0.000 0.470 192 D N 0.832 121.171 120.400 -0.101 0.000 2.427 192 D HA 0.324 4.966 4.640 0.003 0.000 0.224 192 D C 0.266 176.536 176.300 -0.051 0.000 1.157 192 D CA -0.009 53.945 54.000 -0.077 0.000 0.828 192 D CB -0.054 40.718 40.800 -0.047 0.000 0.974 192 D HN 0.423 nan 8.370 nan 0.000 0.498 193 L N 0.699 121.892 121.223 -0.050 0.000 2.476 193 L HA 0.102 4.444 4.340 0.003 0.000 0.264 193 L C 0.800 177.681 176.870 0.019 0.000 1.224 193 L CA -0.373 54.471 54.840 0.007 0.000 0.821 193 L CB 0.355 42.450 42.059 0.061 0.000 1.101 193 L HN -0.205 nan 8.230 nan 0.000 0.488 194 E N 0.346 120.570 120.200 0.040 0.000 2.366 194 E HA 0.108 4.459 4.350 0.003 0.000 0.266 194 E C 0.970 177.621 176.600 0.085 0.000 1.051 194 E CA -0.244 56.184 56.400 0.046 0.000 0.884 194 E CB 0.720 30.442 29.700 0.037 0.000 1.006 194 E HN 0.388 nan 8.360 nan 0.000 0.417 195 I N 2.321 122.948 120.570 0.094 0.000 2.707 195 I HA -0.287 3.885 4.170 0.003 0.000 0.266 195 I C 1.517 177.698 176.117 0.106 0.000 1.215 195 I CA 1.352 62.731 61.300 0.132 0.000 1.442 195 I CB -0.643 37.419 38.000 0.103 0.000 1.108 195 I HN 0.730 nan 8.210 nan 0.000 0.464 196 G N 1.141 109.988 108.800 0.079 0.000 2.866 196 G HA2 -0.271 3.690 3.960 0.003 0.000 0.207 196 G HA3 -0.271 3.690 3.960 0.003 0.000 0.207 196 G C 1.259 176.204 174.900 0.075 0.000 1.402 196 G CA 0.697 45.834 45.100 0.062 0.000 0.830 196 G HN 0.473 nan 8.290 nan 0.000 0.644 197 Q N 0.207 120.054 119.800 0.078 0.000 2.376 197 Q HA -0.189 4.153 4.340 0.003 0.000 0.211 197 Q C 1.948 178.030 176.000 0.137 0.000 0.986 197 Q CA 1.720 57.575 55.803 0.086 0.000 0.886 197 Q CB -0.848 27.931 28.738 0.070 0.000 0.927 197 Q HN 0.868 nan 8.270 nan 0.000 0.457 198 H N 1.687 120.784 119.070 0.045 0.000 2.256 198 H HA 0.035 4.593 4.556 0.003 0.000 0.301 198 H C 1.925 177.289 175.328 0.059 0.000 1.062 198 H CA 1.246 57.326 56.048 0.054 0.000 1.283 198 H CB 0.213 30.005 29.762 0.049 0.000 1.379 198 H HN 0.176 nan 8.280 nan 0.000 0.493 199 R N -0.337 120.120 120.500 -0.071 0.000 2.244 199 R HA -0.129 4.213 4.340 0.003 0.000 0.252 199 R C 2.173 178.438 176.300 -0.057 0.000 1.177 199 R CA 1.771 57.799 56.100 -0.119 0.000 1.004 199 R CB -0.151 30.130 30.300 -0.032 0.000 0.873 199 R HN 0.399 nan 8.270 nan 0.000 0.469 200 T N 0.202 114.756 114.554 0.000 0.000 2.901 200 T HA 0.018 4.370 4.350 0.003 0.000 0.252 200 T C 1.630 176.365 174.700 0.060 0.000 1.035 200 T CA 0.482 62.601 62.100 0.032 0.000 1.142 200 T CB 0.135 69.030 68.868 0.045 0.000 0.869 200 T HN 0.084 nan 8.240 nan 0.000 0.442 201 K N 0.824 121.278 120.400 0.089 0.000 2.147 201 K HA 0.019 4.341 4.320 0.003 0.000 0.205 201 K C 2.145 178.850 176.600 0.175 0.000 1.049 201 K CA 0.753 57.145 56.287 0.174 0.000 0.936 201 K CB -0.439 32.196 32.500 0.226 0.000 0.722 201 K HN 0.236 nan 8.250 nan 0.000 0.446 202 I N 1.996 122.587 120.570 0.034 0.000 2.163 202 I HA -0.259 3.913 4.170 0.003 0.000 0.243 202 I C 2.195 178.326 176.117 0.023 0.000 1.085 202 I CA 1.556 62.840 61.300 -0.026 0.000 1.347 202 I CB -0.109 37.800 38.000 -0.152 0.000 1.044 202 I HN 0.103 nan 8.210 nan 0.000 0.408 203 E N -0.140 120.083 120.200 0.038 0.000 2.106 203 E HA -0.267 4.085 4.350 0.003 0.000 0.192 203 E C 2.085 178.753 176.600 0.113 0.000 0.984 203 E CA 1.013 57.449 56.400 0.060 0.000 0.806 203 E CB -0.327 29.401 29.700 0.047 0.000 0.750 203 E HN 0.608 nan 8.360 nan 0.000 0.458 204 E N 0.726 121.026 120.200 0.165 0.000 2.110 204 E HA -0.159 4.193 4.350 0.003 0.000 0.193 204 E C 2.235 179.053 176.600 0.363 0.000 0.988 204 E CA 0.473 57.020 56.400 0.245 0.000 0.804 204 E CB 0.007 29.860 29.700 0.255 0.000 0.745 204 E HN 0.175 nan 8.360 nan 0.000 0.458 205 L N 0.647 122.050 121.223 0.300 0.000 1.961 205 L HA -0.207 4.135 4.340 0.003 0.000 0.210 205 L C 2.774 179.704 176.870 0.100 0.000 1.072 205 L CA 1.494 56.364 54.840 0.050 0.000 0.749 205 L CB -0.381 41.503 42.059 -0.291 0.000 0.889 205 L HN 0.192 nan 8.230 nan 0.000 0.432 206 R N -0.668 119.866 120.500 0.057 0.000 2.113 206 R HA -0.257 4.085 4.340 0.003 0.000 0.244 206 R C 2.148 178.499 176.300 0.085 0.000 1.142 206 R CA 1.444 57.576 56.100 0.054 0.000 0.953 206 R CB -0.713 29.611 30.300 0.040 0.000 0.860 206 R HN 0.488 nan 8.270 nan 0.000 0.438 207 Q N 0.339 120.208 119.800 0.116 0.000 2.050 207 Q HA -0.173 4.168 4.340 0.003 0.000 0.202 207 Q C 2.058 178.149 176.000 0.151 0.000 0.980 207 Q CA 1.776 57.647 55.803 0.113 0.000 0.840 207 Q CB -0.491 28.313 28.738 0.111 0.000 0.898 207 Q HN 0.524 nan 8.270 nan 0.000 0.424 208 H N 0.219 119.390 119.070 0.168 0.000 2.387 208 H HA -0.066 4.492 4.556 0.003 0.000 0.299 208 H C 1.988 177.495 175.328 0.300 0.000 1.099 208 H CA 1.656 57.854 56.048 0.251 0.000 1.315 208 H CB -0.224 29.748 29.762 0.351 0.000 1.380 208 H HN 0.139 nan 8.280 nan 0.000 0.513 209 L N -0.442 120.823 121.223 0.070 0.000 2.056 209 L HA -0.144 4.197 4.340 0.003 0.000 0.207 209 L C 2.626 179.533 176.870 0.060 0.000 1.078 209 L CA 0.948 55.812 54.840 0.039 0.000 0.749 209 L CB -0.378 41.708 42.059 0.045 0.000 0.901 209 L HN 0.329 nan 8.230 nan 0.000 0.433 210 L N -0.433 120.811 121.223 0.034 0.000 2.083 210 L HA -0.209 4.133 4.340 0.003 0.000 0.209 210 L C 2.813 179.638 176.870 -0.076 0.000 1.083 210 L CA 0.865 55.708 54.840 0.004 0.000 0.752 210 L CB -0.389 41.676 42.059 0.010 0.000 0.899 210 L HN 0.266 nan 8.230 nan 0.000 0.433 211 R N -0.444 119.960 120.500 -0.159 0.000 2.249 211 R HA -0.212 4.130 4.340 0.003 0.000 0.230 211 R C 1.192 177.061 176.300 -0.718 0.000 1.121 211 R CA 1.364 57.215 56.100 -0.415 0.000 0.997 211 R CB -0.370 29.643 30.300 -0.478 0.000 0.867 211 R HN 0.456 nan 8.270 nan 0.000 0.465 212 W N -1.335 119.891 121.300 -0.123 0.000 3.127 212 W HA 0.281 4.942 4.660 0.002 0.000 0.344 212 W C 1.244 177.738 176.519 -0.042 0.000 1.151 212 W CA 0.406 57.691 57.345 -0.100 0.000 1.765 212 W CB 0.654 30.013 29.460 -0.168 0.000 1.085 212 W HN 0.286 nan 8.180 nan 0.000 0.596 213 G N 0.390 109.254 108.800 0.105 0.000 2.194 213 G HA2 -0.270 3.692 3.960 0.003 0.000 0.236 213 G HA3 -0.270 3.692 3.960 0.003 0.000 0.236 213 G C -0.045 174.925 174.900 0.116 0.000 0.987 213 G CA -0.394 44.768 45.100 0.102 0.000 0.635 213 G HN 0.083 nan 8.290 nan 0.000 0.520 214 L N 2.417 123.714 121.223 0.124 0.000 2.261 214 L HA 0.535 4.876 4.340 0.003 0.000 0.289 214 L C 0.802 177.718 176.870 0.076 0.000 1.059 214 L CA 0.098 55.005 54.840 0.112 0.000 0.816 214 L CB 1.499 43.627 42.059 0.115 0.000 1.191 214 L HN 0.270 nan 8.230 nan 0.000 0.431 215 T N 0.800 115.396 114.554 0.070 0.000 2.743 215 T HA 0.464 4.816 4.350 0.003 0.000 0.292 215 T C 0.168 174.890 174.700 0.035 0.000 0.972 215 T CA -0.536 61.592 62.100 0.046 0.000 0.967 215 T CB 0.899 69.792 68.868 0.041 0.000 0.926 215 T HN 0.673 nan 8.240 nan 0.000 0.459 216 T N 2.838 117.408 114.554 0.028 0.000 2.948 216 T HA 0.789 5.141 4.350 0.003 0.000 0.285 216 T C -2.695 172.016 174.700 0.020 0.000 1.019 216 T CA -1.877 60.233 62.100 0.017 0.000 1.013 216 T CB 1.322 70.196 68.868 0.009 0.000 1.117 216 T HN 0.532 nan 8.240 nan 0.000 0.533 217 P HA 0.310 nan 4.420 nan 0.000 0.279 217 P C -0.795 176.545 177.300 0.067 0.000 1.252 217 P CA -0.370 62.756 63.100 0.043 0.000 0.811 217 P CB 0.603 32.342 31.700 0.064 0.000 1.035 218 D N 0.236 120.698 120.400 0.103 0.000 2.433 218 D HA 0.146 4.788 4.640 0.003 0.000 0.255 218 D C 0.251 176.613 176.300 0.104 0.000 1.226 218 D CA -0.381 53.679 54.000 0.099 0.000 1.015 218 D CB 0.435 41.301 40.800 0.111 0.000 1.091 218 D HN 0.278 nan 8.370 nan 0.000 0.527 219 K N -0.560 119.874 120.400 0.057 0.000 2.159 219 K HA -0.076 4.245 4.320 0.003 0.000 0.242 219 K C 1.082 177.678 176.600 -0.005 0.000 1.043 219 K CA 0.647 56.951 56.287 0.028 0.000 0.856 219 K CB 0.370 32.874 32.500 0.007 0.000 1.072 219 K HN 0.776 nan 8.250 nan 0.000 0.514 220 K N -0.761 119.611 120.400 -0.046 0.000 4.378 220 K HA -0.356 3.966 4.320 0.003 0.000 0.416 220 K C 0.300 176.779 176.600 -0.201 0.000 0.469 220 K CA 2.336 58.528 56.287 -0.158 0.000 1.807 220 K CB -1.656 30.683 32.500 -0.269 0.000 0.965 220 K HN 0.832 nan 8.250 nan 0.000 0.530 221 H N 1.299 120.389 119.070 0.033 0.000 2.487 221 H HA 0.341 4.899 4.556 0.004 0.000 0.290 221 H C -0.278 175.077 175.328 0.045 0.000 1.081 221 H CA -0.276 55.794 56.048 0.036 0.000 1.116 221 H CB 0.547 30.326 29.762 0.028 0.000 1.560 221 H HN 0.280 nan 8.280 nan 0.000 0.548 222 Q N 1.552 121.426 119.800 0.124 0.000 2.307 222 Q HA 0.214 4.555 4.340 0.003 0.000 0.262 222 Q C -0.413 175.670 176.000 0.137 0.000 0.961 222 Q CA -1.167 54.706 55.803 0.117 0.000 0.882 222 Q CB 1.410 30.200 28.738 0.087 0.000 1.264 222 Q HN 0.180 nan 8.270 nan 0.000 0.446 223 K N 1.570 122.079 120.400 0.181 0.000 2.494 223 K HA 0.023 4.345 4.320 0.003 0.000 0.273 223 K C -0.355 176.402 176.600 0.261 0.000 0.970 223 K CA 0.268 56.696 56.287 0.235 0.000 0.963 223 K CB 0.268 32.960 32.500 0.320 0.000 0.913 223 K HN 0.373 nan 8.250 nan 0.000 0.502 224 E N 1.354 121.643 120.200 0.148 0.000 2.214 224 E HA 0.347 4.699 4.350 0.003 0.000 0.274 224 E C -2.384 174.091 176.600 -0.208 0.000 0.977 224 E CA -2.122 54.289 56.400 0.018 0.000 0.827 224 E CB 1.026 30.725 29.700 -0.003 0.000 1.130 224 E HN 0.296 nan 8.360 nan 0.000 0.394 225 P HA 0.214 nan 4.420 nan 0.000 0.278 225 P C -2.513 174.561 177.300 -0.377 0.000 1.238 225 P CA -1.170 61.461 63.100 -0.781 0.000 0.794 225 P CB 0.243 31.603 31.700 -0.566 0.000 0.955 226 P HA 0.197 nan 4.420 nan 0.000 0.276 226 P C -0.817 176.265 177.300 -0.364 0.000 1.253 226 P CA -0.090 62.678 63.100 -0.553 0.000 0.766 226 P CB 0.030 31.302 31.700 -0.713 0.000 0.845 227 F N 2.481 122.414 119.950 -0.028 0.000 2.504 227 F HA 0.094 4.622 4.527 0.003 0.000 0.369 227 F C 1.081 176.943 175.800 0.102 0.000 1.082 227 F CA -0.179 57.852 58.000 0.052 0.000 1.216 227 F CB 0.022 39.049 39.000 0.046 0.000 1.108 227 F HN 0.143 nan 8.300 nan 0.000 0.554 228 L N 4.351 125.752 121.223 0.297 0.000 2.934 228 L HA 0.107 4.448 4.340 0.003 0.000 0.233 228 L C -0.541 176.490 176.870 0.268 0.000 1.358 228 L CA -0.085 54.894 54.840 0.232 0.000 1.233 228 L CB -0.833 41.312 42.059 0.144 0.000 1.594 228 L HN 0.592 nan 8.230 nan 0.000 0.439 229 W N 1.706 123.085 121.300 0.132 0.000 2.345 229 W HA 0.360 5.022 4.660 0.005 0.000 0.308 229 W C 1.000 177.584 176.519 0.109 0.000 1.273 229 W CA -0.647 56.731 57.345 0.055 0.000 1.243 229 W CB 0.706 30.105 29.460 -0.102 0.000 1.260 229 W HN 0.370 nan 8.180 nan 0.000 0.509 230 M N 5.525 124.694 119.600 -0.719 0.000 2.856 230 M HA -0.247 4.235 4.480 0.003 0.000 0.189 230 M C 1.021 177.109 176.300 -0.353 0.000 0.612 230 M CA 2.026 56.806 55.300 -0.867 0.000 0.673 230 M CB -1.322 30.005 32.600 -2.122 0.000 2.440 230 M HN 1.245 nan 8.290 nan 0.000 0.437 231 G N -2.890 105.808 108.800 -0.171 0.000 2.231 231 G HA2 -0.235 3.727 3.960 0.003 0.000 0.206 231 G HA3 -0.235 3.727 3.960 0.003 0.000 0.206 231 G C -0.133 174.838 174.900 0.118 0.000 0.996 231 G CA -0.116 44.899 45.100 -0.142 0.000 0.645 231 G HN 0.617 nan 8.290 nan 0.000 0.498 232 Y N 0.228 120.727 120.300 0.332 0.000 2.568 232 Y HA 0.737 5.289 4.550 0.003 0.000 0.327 232 Y C 0.518 176.615 175.900 0.329 0.000 1.163 232 Y CA -0.943 57.388 58.100 0.384 0.000 1.219 232 Y CB 1.320 40.005 38.460 0.375 0.000 1.308 232 Y HN 0.073 nan 8.280 nan 0.000 0.503 233 E N 1.547 122.071 120.200 0.541 0.000 2.141 233 E HA 0.434 4.786 4.350 0.003 0.000 0.259 233 E C -1.807 175.020 176.600 0.377 0.000 0.883 233 E CA -0.305 56.302 56.400 0.345 0.000 0.744 233 E CB 0.528 30.446 29.700 0.362 0.000 1.150 233 E HN 0.505 nan 8.360 nan 0.000 0.420 234 L N 5.147 126.526 121.223 0.261 0.000 2.283 234 L HA 0.418 4.759 4.340 0.003 0.000 0.281 234 L C -0.261 176.689 176.870 0.133 0.000 1.033 234 L CA -0.639 54.407 54.840 0.343 0.000 0.848 234 L CB 0.271 42.553 42.059 0.371 0.000 1.226 234 L HN 0.591 nan 8.230 nan 0.000 0.429 235 H N 2.827 122.055 119.070 0.263 0.000 2.497 235 H HA 0.289 4.846 4.556 0.001 0.000 0.348 235 H C -1.536 173.931 175.328 0.232 0.000 1.335 235 H CA -1.520 54.611 56.048 0.138 0.000 1.395 235 H CB 0.324 30.144 29.762 0.097 0.000 1.658 235 H HN 0.240 nan 8.280 nan 0.000 0.613 236 P HA -0.060 nan 4.420 nan 0.000 0.220 236 P C 0.051 177.540 177.300 0.315 0.000 1.152 236 P CA 1.325 64.552 63.100 0.212 0.000 0.812 236 P CB 0.372 32.143 31.700 0.119 0.000 0.792 237 D N -1.667 118.945 120.400 0.353 0.000 2.582 237 D HA 0.119 4.761 4.640 0.003 0.000 0.246 237 D C 0.212 176.657 176.300 0.243 0.000 1.334 237 D CA -0.155 54.044 54.000 0.333 0.000 0.805 237 D CB 0.074 40.964 40.800 0.150 0.000 1.087 237 D HN 0.247 nan 8.370 nan 0.000 0.499 238 K N -1.165 119.375 120.400 0.234 0.000 2.735 238 K HA 0.521 4.843 4.320 0.003 0.000 0.295 238 K C -1.664 174.978 176.600 0.071 0.000 1.052 238 K CA -1.128 55.135 56.287 -0.041 0.000 0.853 238 K CB 1.291 33.763 32.500 -0.046 0.000 1.535 238 K HN 0.089 nan 8.250 nan 0.000 0.383 239 W N -0.016 121.235 121.300 -0.082 0.000 3.066 239 W HA 0.732 5.392 4.660 0.000 0.000 0.330 239 W C -1.886 174.717 176.519 0.140 0.000 1.253 239 W CA -0.789 56.611 57.345 0.091 0.000 1.187 239 W CB 1.408 30.853 29.460 -0.025 0.000 1.434 239 W HN 0.879 nan 8.180 nan 0.000 0.572 240 T N 0.287 115.126 114.554 0.475 0.000 2.700 240 T HA 0.406 4.758 4.350 0.003 0.000 0.307 240 T C -0.970 174.043 174.700 0.521 0.000 1.580 240 T CA -0.152 62.058 62.100 0.183 0.000 0.992 240 T CB 0.962 69.880 68.868 0.085 0.000 1.577 240 T HN 0.987 nan 8.240 nan 0.000 0.496 241 V N 0.790 120.921 119.914 0.363 0.000 3.036 241 V HA 0.659 4.781 4.120 0.003 0.000 0.308 241 V C 0.183 176.481 176.094 0.341 0.000 1.070 241 V CA -0.639 61.882 62.300 0.369 0.000 1.056 241 V CB 0.934 32.899 31.823 0.236 0.000 1.084 241 V HN 0.923 nan 8.190 nan 0.000 0.471 242 Q N 2.008 122.002 119.800 0.324 0.000 2.286 242 Q HA 0.372 4.713 4.340 0.003 0.000 0.257 242 Q C -2.367 173.736 176.000 0.171 0.000 0.941 242 Q CA -1.688 54.246 55.803 0.218 0.000 0.912 242 Q CB 0.865 29.693 28.738 0.149 0.000 1.192 242 Q HN 0.700 nan 8.270 nan 0.000 0.410 243 P HA -0.193 nan 4.420 nan 0.000 0.246 243 P C -1.261 176.075 177.300 0.060 0.000 1.092 243 P CA 0.677 63.832 63.100 0.091 0.000 0.795 243 P CB -0.083 31.659 31.700 0.069 0.000 0.700 244 I N 4.116 124.710 120.570 0.040 0.000 2.322 244 I HA 0.107 4.279 4.170 0.003 0.000 0.292 244 I C 0.603 176.713 176.117 -0.012 0.000 1.060 244 I CA -0.264 61.041 61.300 0.008 0.000 1.309 244 I CB 1.142 39.116 38.000 -0.043 0.000 1.415 244 I HN 0.091 nan 8.210 nan 0.000 0.492 245 V N 8.220 128.134 119.914 0.001 0.000 2.259 245 V HA 0.354 4.476 4.120 0.003 0.000 0.267 245 V C -0.111 175.995 176.094 0.019 0.000 1.051 245 V CA -0.569 61.734 62.300 0.005 0.000 0.830 245 V CB 0.509 32.335 31.823 0.005 0.000 1.080 245 V HN 0.497 nan 8.190 nan 0.000 0.467 246 L N 9.664 130.900 121.223 0.022 0.000 2.433 246 L HA 0.337 4.679 4.340 0.003 0.000 0.284 246 L C -1.648 175.283 176.870 0.102 0.000 1.120 246 L CA -1.231 53.647 54.840 0.062 0.000 0.879 246 L CB 0.964 43.043 42.059 0.032 0.000 1.232 246 L HN 0.519 nan 8.230 nan 0.000 0.454 247 P HA -0.011 nan 4.420 nan 0.000 0.260 247 P C -0.457 176.927 177.300 0.140 0.000 1.185 247 P CA 0.031 63.182 63.100 0.085 0.000 0.763 247 P CB 0.393 32.103 31.700 0.016 0.000 0.776 248 E N 3.421 123.659 120.200 0.063 0.000 2.223 248 E HA 0.258 4.610 4.350 0.003 0.000 0.282 248 E C -0.034 176.534 176.600 -0.052 0.000 1.046 248 E CA -0.266 56.181 56.400 0.079 0.000 0.857 248 E CB 1.322 31.047 29.700 0.042 0.000 1.055 248 E HN 0.437 nan 8.360 nan 0.000 0.409 249 K N 1.979 122.332 120.400 -0.077 0.000 2.509 249 K HA 0.192 4.514 4.320 0.003 0.000 0.266 249 K C -0.467 176.018 176.600 -0.193 0.000 0.987 249 K CA -0.502 55.579 56.287 -0.344 0.000 0.868 249 K CB 1.925 33.848 32.500 -0.962 0.000 1.421 249 K HN 0.115 nan 8.250 nan 0.000 0.444 250 D N -0.341 119.930 120.400 -0.216 0.000 2.201 250 D HA 0.164 4.805 4.640 0.003 0.000 0.209 250 D C -0.508 175.742 176.300 -0.083 0.000 0.961 250 D CA 0.878 54.822 54.000 -0.093 0.000 0.861 250 D CB 0.516 41.264 40.800 -0.087 0.000 0.997 250 D HN 0.346 nan 8.370 nan 0.000 0.486 251 S N -0.918 114.655 115.700 -0.211 0.000 2.536 251 S HA 0.489 4.960 4.470 0.003 0.000 0.287 251 S C -1.494 172.948 174.600 -0.262 0.000 1.101 251 S CA -0.745 57.387 58.200 -0.113 0.000 0.950 251 S CB 1.417 64.578 63.200 -0.066 0.000 1.056 251 S HN 0.104 nan 8.310 nan 0.000 0.481 252 W N 2.156 123.449 121.300 -0.013 0.000 2.417 252 W HA 0.473 5.134 4.660 0.003 0.000 0.315 252 W C 0.534 177.045 176.519 -0.013 0.000 1.045 252 W CA -0.532 56.804 57.345 -0.014 0.000 1.221 252 W CB 1.287 30.738 29.460 -0.014 0.000 1.309 252 W HN 0.650 nan 8.180 nan 0.000 0.453 253 T N -1.097 113.548 114.554 0.152 0.000 2.928 253 T HA 0.260 4.612 4.350 0.003 0.000 0.284 253 T C 0.960 175.732 174.700 0.120 0.000 1.008 253 T CA -0.781 61.376 62.100 0.095 0.000 1.057 253 T CB 1.553 70.438 68.868 0.029 0.000 1.018 253 T HN 0.219 nan 8.240 nan 0.000 0.493 254 V N 2.218 122.179 119.914 0.078 0.000 2.277 254 V HA -0.298 3.824 4.120 0.003 0.000 0.255 254 V C 2.828 178.960 176.094 0.064 0.000 1.074 254 V CA 2.724 65.061 62.300 0.061 0.000 1.058 254 V CB -1.285 30.560 31.823 0.036 0.000 0.656 254 V HN 1.046 nan 8.190 nan 0.000 0.449 255 N N -0.051 118.680 118.700 0.052 0.000 2.166 255 N HA -0.169 4.573 4.740 0.003 0.000 0.186 255 N C 1.467 177.021 175.510 0.074 0.000 1.019 255 N CA 1.738 54.814 53.050 0.043 0.000 0.856 255 N CB -0.220 38.279 38.487 0.020 0.000 0.993 255 N HN 0.541 nan 8.380 nan 0.000 0.426 256 D N 0.062 120.532 120.400 0.116 0.000 2.117 256 D HA -0.081 4.561 4.640 0.003 0.000 0.198 256 D C 1.988 178.467 176.300 0.298 0.000 0.982 256 D CA 0.773 54.890 54.000 0.196 0.000 0.828 256 D CB -0.161 40.764 40.800 0.208 0.000 0.967 256 D HN 0.415 nan 8.370 nan 0.000 0.464 257 I N 1.011 121.739 120.570 0.263 0.000 2.226 257 I HA -0.293 3.879 4.170 0.003 0.000 0.245 257 I C 2.590 178.745 176.117 0.064 0.000 1.100 257 I CA 1.142 62.520 61.300 0.129 0.000 1.374 257 I CB -0.188 37.850 38.000 0.062 0.000 1.057 257 I HN -0.032 nan 8.210 nan 0.000 0.413 258 Q N 0.782 120.619 119.800 0.061 0.000 1.993 258 Q HA -0.243 4.098 4.340 0.003 0.000 0.202 258 Q C 2.257 178.278 176.000 0.035 0.000 0.984 258 Q CA 1.686 57.510 55.803 0.035 0.000 0.837 258 Q CB -0.119 28.635 28.738 0.027 0.000 0.902 258 Q HN 0.397 nan 8.270 nan 0.000 0.423 259 K N 0.553 120.981 120.400 0.046 0.000 2.127 259 K HA -0.194 4.128 4.320 0.003 0.000 0.208 259 K C 2.079 178.706 176.600 0.045 0.000 1.047 259 K CA 1.062 57.369 56.287 0.034 0.000 0.927 259 K CB -0.255 32.267 32.500 0.036 0.000 0.716 259 K HN 0.217 nan 8.250 nan 0.000 0.450 260 L N 0.638 121.906 121.223 0.075 0.000 1.948 260 L HA -0.234 4.108 4.340 0.003 0.000 0.212 260 L C 2.230 179.110 176.870 0.017 0.000 1.074 260 L CA 1.411 56.285 54.840 0.056 0.000 0.753 260 L CB -0.414 41.663 42.059 0.031 0.000 0.888 260 L HN 0.015 nan 8.230 nan 0.000 0.432 261 V N 0.417 120.331 119.914 0.001 0.000 2.313 261 V HA -0.333 3.789 4.120 0.003 0.000 0.253 261 V C 2.589 178.699 176.094 0.027 0.000 1.070 261 V CA 2.060 64.359 62.300 -0.001 0.000 1.057 261 V CB -1.459 30.361 31.823 -0.006 0.000 0.653 261 V HN 0.733 nan 8.190 nan 0.000 0.450 262 G N -0.278 108.540 108.800 0.030 0.000 2.514 262 G HA2 -0.272 3.690 3.960 0.003 0.000 0.217 262 G HA3 -0.272 3.690 3.960 0.003 0.000 0.217 262 G C 1.600 176.545 174.900 0.074 0.000 1.198 262 G CA 1.015 46.140 45.100 0.042 0.000 0.780 262 G HN 0.488 nan 8.290 nan 0.000 0.565 263 K N 0.007 120.437 120.400 0.051 0.000 2.097 263 K HA 0.055 4.377 4.320 0.003 0.000 0.206 263 K C 2.558 179.225 176.600 0.112 0.000 1.049 263 K CA 0.643 56.974 56.287 0.073 0.000 0.933 263 K CB -0.355 32.165 32.500 0.034 0.000 0.717 263 K HN 0.289 nan 8.250 nan 0.000 0.442 264 L N 1.339 122.598 121.223 0.061 0.000 1.994 264 L HA -0.207 4.135 4.340 0.003 0.000 0.208 264 L C 1.992 178.906 176.870 0.072 0.000 1.071 264 L CA 1.215 56.075 54.840 0.034 0.000 0.745 264 L CB -0.601 41.457 42.059 -0.002 0.000 0.892 264 L HN 0.211 nan 8.230 nan 0.000 0.431 265 N N -0.521 118.234 118.700 0.092 0.000 2.192 265 N HA -0.274 4.468 4.740 0.003 0.000 0.188 265 N C 1.440 177.054 175.510 0.175 0.000 1.013 265 N CA 1.314 54.433 53.050 0.115 0.000 0.863 265 N CB -0.365 38.193 38.487 0.119 0.000 0.990 265 N HN 0.526 nan 8.380 nan 0.000 0.430 266 W N 1.398 122.709 121.300 0.017 0.000 2.518 266 W HA 0.074 4.736 4.660 0.003 0.000 0.273 266 W C 1.675 178.234 176.519 0.067 0.000 1.247 266 W CA 1.051 58.409 57.345 0.022 0.000 1.288 266 W CB 0.004 29.444 29.460 -0.034 0.000 1.107 266 W HN 0.041 nan 8.180 nan 0.000 0.586 267 A N 0.676 123.578 122.820 0.136 0.000 2.014 267 A HA -0.162 4.160 4.320 0.003 0.000 0.218 267 A C 1.963 179.610 177.584 0.105 0.000 1.163 267 A CA 1.792 53.886 52.037 0.094 0.000 0.652 267 A CB -0.993 18.009 19.000 0.002 0.000 0.808 267 A HN 0.278 nan 8.150 nan 0.000 0.449 268 S N 0.675 116.406 115.700 0.053 0.000 2.465 268 S HA -0.239 4.233 4.470 0.003 0.000 0.241 268 S C 1.621 176.214 174.600 -0.012 0.000 1.000 268 S CA 1.300 59.516 58.200 0.026 0.000 0.964 268 S CB -0.529 62.676 63.200 0.008 0.000 0.763 268 S HN 0.781 nan 8.310 nan 0.000 0.512 269 Q N -0.093 119.701 119.800 -0.009 0.000 2.364 269 Q HA 0.180 4.522 4.340 0.003 0.000 0.209 269 Q C 1.589 177.654 176.000 0.108 0.000 0.977 269 Q CA 1.023 56.866 55.803 0.066 0.000 0.885 269 Q CB -0.144 28.673 28.738 0.131 0.000 0.941 269 Q HN 0.635 nan 8.270 nan 0.000 0.464 270 I N -2.652 117.924 120.570 0.010 0.000 4.967 270 I HA 0.042 4.213 4.170 0.003 0.000 0.361 270 I C -0.816 175.141 176.117 -0.267 0.000 1.230 270 I CA -0.146 61.053 61.300 -0.170 0.000 1.420 270 I CB 1.168 38.926 38.000 -0.402 0.000 1.716 270 I HN -0.100 nan 8.210 nan 0.000 0.578 271 Y N 4.930 125.165 120.300 -0.108 0.000 2.804 271 Y HA 0.396 4.948 4.550 0.004 0.000 0.330 271 Y C -2.051 173.793 175.900 -0.093 0.000 1.092 271 Y CA -2.820 55.223 58.100 -0.094 0.000 1.315 271 Y CB 0.026 38.448 38.460 -0.063 0.000 1.188 271 Y HN 0.027 nan 8.280 nan 0.000 0.512 272 P HA -0.086 nan 4.420 nan 0.000 0.261 272 P C 0.813 178.097 177.300 -0.026 0.000 1.165 272 P CA 1.400 64.463 63.100 -0.062 0.000 0.759 272 P CB 0.756 32.398 31.700 -0.096 0.000 0.772 273 G N 2.865 111.644 108.800 -0.035 0.000 2.182 273 G HA2 -0.197 3.764 3.960 0.003 0.000 0.248 273 G HA3 -0.197 3.764 3.960 0.003 0.000 0.248 273 G C 0.114 175.002 174.900 -0.020 0.000 1.042 273 G CA -0.511 44.572 45.100 -0.029 0.000 0.775 273 G HN 0.519 nan 8.290 nan 0.000 0.501 274 I N 0.355 120.919 120.570 -0.011 0.000 2.428 274 I HA 0.332 4.504 4.170 0.003 0.000 0.289 274 I C 0.684 176.786 176.117 -0.023 0.000 1.019 274 I CA 0.170 61.462 61.300 -0.013 0.000 1.351 274 I CB 1.176 39.178 38.000 0.003 0.000 1.412 274 I HN 0.104 nan 8.210 nan 0.000 0.513 275 K N 4.574 124.952 120.400 -0.036 0.000 2.340 275 K HA 0.573 4.894 4.320 0.003 0.000 0.244 275 K C -0.248 176.323 176.600 -0.047 0.000 0.973 275 K CA -0.643 55.617 56.287 -0.044 0.000 0.828 275 K CB 3.012 35.477 32.500 -0.058 0.000 1.226 275 K HN 0.305 nan 8.250 nan 0.000 0.437 276 V N 1.253 121.139 119.914 -0.047 0.000 3.623 276 V HA -0.009 4.113 4.120 0.003 0.000 0.283 276 V C 1.663 177.725 176.094 -0.053 0.000 1.643 276 V CA 0.169 62.440 62.300 -0.049 0.000 1.121 276 V CB 0.295 32.103 31.823 -0.026 0.000 0.933 276 V HN 0.790 nan 8.190 nan 0.000 0.420 277 R N 0.164 120.631 120.500 -0.055 0.000 2.070 277 R HA -0.224 4.117 4.340 0.003 0.000 0.233 277 R C 2.011 178.274 176.300 -0.060 0.000 1.137 277 R CA 2.501 58.568 56.100 -0.056 0.000 0.945 277 R CB -0.036 30.227 30.300 -0.062 0.000 0.845 277 R HN 0.456 nan 8.270 nan 0.000 0.430 278 Q N 0.301 120.060 119.800 -0.069 0.000 2.084 278 Q HA -0.076 4.266 4.340 0.003 0.000 0.202 278 Q C 2.034 177.985 176.000 -0.082 0.000 0.978 278 Q CA 1.218 56.977 55.803 -0.074 0.000 0.844 278 Q CB -0.216 28.474 28.738 -0.080 0.000 0.898 278 Q HN 0.283 nan 8.270 nan 0.000 0.426 279 L N -0.624 120.541 121.223 -0.097 0.000 2.017 279 L HA -0.217 4.125 4.340 0.003 0.000 0.208 279 L C 2.399 179.220 176.870 -0.081 0.000 1.073 279 L CA 1.363 56.134 54.840 -0.116 0.000 0.745 279 L CB -1.394 40.586 42.059 -0.133 0.000 0.894 279 L HN 0.376 nan 8.230 nan 0.000 0.432 280 C N -0.452 118.812 119.300 -0.061 0.000 2.429 280 C HA -0.176 4.286 4.460 0.003 0.000 0.277 280 C C 2.844 177.812 174.990 -0.037 0.000 1.262 280 C CA 0.595 59.589 59.018 -0.041 0.000 1.733 280 C CB -0.458 27.261 27.740 -0.034 0.000 2.010 280 C HN 0.448 nan 8.230 nan 0.000 0.483 281 K N 0.397 120.772 120.400 -0.042 0.000 2.059 281 K HA -0.184 4.138 4.320 0.003 0.000 0.212 281 K C 1.780 178.362 176.600 -0.031 0.000 1.050 281 K CA 1.509 57.774 56.287 -0.036 0.000 0.927 281 K CB -0.310 32.165 32.500 -0.042 0.000 0.714 281 K HN 0.470 nan 8.250 nan 0.000 0.447 282 L N 0.640 121.840 121.223 -0.039 0.000 2.129 282 L HA -0.252 4.090 4.340 0.003 0.000 0.212 282 L C 2.250 179.111 176.870 -0.016 0.000 1.087 282 L CA 1.179 56.001 54.840 -0.030 0.000 0.757 282 L CB -0.603 41.431 42.059 -0.041 0.000 0.896 282 L HN 0.302 nan 8.230 nan 0.000 0.434 283 L N 0.108 121.322 121.223 -0.016 0.000 2.191 283 L HA -0.137 4.205 4.340 0.003 0.000 0.212 283 L C 1.505 178.373 176.870 -0.004 0.000 1.103 283 L CA 0.189 55.026 54.840 -0.006 0.000 0.769 283 L CB -0.491 41.564 42.059 -0.006 0.000 0.908 283 L HN 0.389 nan 8.230 nan 0.000 0.438 284 R N 0.554 121.049 120.500 -0.008 0.000 2.638 284 R HA 0.092 4.434 4.340 0.003 0.000 0.268 284 R C 1.075 177.373 176.300 -0.002 0.000 1.006 284 R CA 0.896 56.992 56.100 -0.006 0.000 1.088 284 R CB -0.209 30.085 30.300 -0.009 0.000 0.950 284 R HN 0.209 nan 8.270 nan 0.000 0.419 285 G N 0.814 109.614 108.800 -0.000 0.000 2.302 285 G HA2 -0.371 3.590 3.960 0.003 0.000 0.263 285 G HA3 -0.371 3.590 3.960 0.003 0.000 0.263 285 G C 0.260 175.162 174.900 0.003 0.000 0.995 285 G CA 0.472 45.573 45.100 0.002 0.000 0.622 285 G HN 1.051 nan 8.290 nan 0.000 0.538 286 T N 0.381 114.938 114.554 0.004 0.000 0.659 286 T HA -0.120 4.232 4.350 0.003 0.000 0.764 286 T C 0.847 175.551 174.700 0.007 0.000 0.992 286 T CA 1.961 64.065 62.100 0.007 0.000 4.027 286 T CB 0.114 68.985 68.868 0.007 0.000 2.265 286 T HN 0.945 nan 8.240 nan 0.000 0.391 287 K N 2.082 122.487 120.400 0.009 0.000 2.879 287 K HA 0.779 5.101 4.320 0.003 0.000 0.287 287 K C 1.046 177.651 176.600 0.009 0.000 0.988 287 K CA 0.241 56.533 56.287 0.009 0.000 1.528 287 K CB -0.186 32.321 32.500 0.010 0.000 2.046 287 K HN 0.775 nan 8.250 nan 0.000 0.785 288 A N 0.608 123.433 122.820 0.009 0.000 2.387 288 A HA 0.072 4.393 4.320 0.003 0.000 0.251 288 A C 1.182 178.772 177.584 0.010 0.000 1.113 288 A CA 0.082 52.123 52.037 0.007 0.000 0.794 288 A CB -0.426 18.577 19.000 0.005 0.000 1.069 288 A HN 0.658 nan 8.150 nan 0.000 0.506 289 L N -0.336 120.891 121.223 0.007 0.000 2.209 289 L HA -0.071 4.271 4.340 0.003 0.000 0.207 289 L C 2.311 179.187 176.870 0.010 0.000 1.094 289 L CA 1.997 56.842 54.840 0.009 0.000 0.790 289 L CB -0.327 41.733 42.059 0.003 0.000 0.932 289 L HN 0.998 nan 8.230 nan 0.000 0.447 290 T N -3.087 111.470 114.554 0.005 0.000 3.100 290 T HA -0.028 4.323 4.350 0.003 0.000 0.253 290 T C 0.691 175.395 174.700 0.006 0.000 1.118 290 T CA -0.319 61.782 62.100 0.001 0.000 1.058 290 T CB -0.142 68.723 68.868 -0.006 0.000 0.953 290 T HN 0.308 nan 8.240 nan 0.000 0.515 291 E N 1.572 121.779 120.200 0.013 0.000 2.413 291 E HA 0.242 4.594 4.350 0.003 0.000 0.263 291 E C -0.830 175.788 176.600 0.031 0.000 1.015 291 E CA -0.460 55.951 56.400 0.017 0.000 0.916 291 E CB 0.678 30.388 29.700 0.017 0.000 0.947 291 E HN 0.045 nan 8.360 nan 0.000 0.440 292 V N 6.002 125.935 119.914 0.031 0.000 2.383 292 V HA 0.201 4.323 4.120 0.003 0.000 0.275 292 V C -0.071 176.061 176.094 0.063 0.000 1.036 292 V CA -0.728 61.603 62.300 0.052 0.000 0.889 292 V CB 0.843 32.688 31.823 0.037 0.000 0.985 292 V HN 0.616 nan 8.190 nan 0.000 0.459 293 I N 7.428 128.054 120.570 0.093 0.000 2.428 293 I HA 0.449 4.621 4.170 0.003 0.000 0.296 293 I C -2.386 173.786 176.117 0.091 0.000 0.985 293 I CA -3.022 58.322 61.300 0.075 0.000 1.260 293 I CB 1.168 39.203 38.000 0.059 0.000 1.389 293 I HN 0.374 nan 8.210 nan 0.000 0.484 294 P HA 0.315 nan 4.420 nan 0.000 0.297 294 P C -0.296 177.018 177.300 0.023 0.000 1.331 294 P CA -0.616 62.517 63.100 0.055 0.000 0.803 294 P CB 0.740 32.461 31.700 0.035 0.000 0.929 295 L N 3.150 124.385 121.223 0.020 0.000 2.745 295 L HA -0.028 4.314 4.340 0.003 0.000 0.273 295 L C 1.251 178.097 176.870 -0.041 0.000 1.156 295 L CA 0.990 55.798 54.840 -0.054 0.000 0.982 295 L CB -0.712 41.289 42.059 -0.097 0.000 1.295 295 L HN 0.435 nan 8.230 nan 0.000 0.483 296 T N 2.733 117.258 114.554 -0.049 0.000 2.785 296 T HA -0.103 4.249 4.350 0.003 0.000 0.341 296 T C 1.428 176.099 174.700 -0.047 0.000 1.093 296 T CA 0.142 62.217 62.100 -0.042 0.000 1.103 296 T CB 0.588 69.427 68.868 -0.049 0.000 1.011 296 T HN 0.657 nan 8.240 nan 0.000 0.549 297 E N 0.696 120.873 120.200 -0.038 0.000 2.072 297 E HA -0.128 4.224 4.350 0.003 0.000 0.190 297 E C 1.984 178.555 176.600 -0.049 0.000 0.982 297 E CA 1.157 57.534 56.400 -0.038 0.000 0.803 297 E CB 0.090 29.773 29.700 -0.028 0.000 0.755 297 E HN 0.594 nan 8.360 nan 0.000 0.453 298 E N 0.870 121.039 120.200 -0.051 0.000 2.058 298 E HA -0.192 4.160 4.350 0.003 0.000 0.194 298 E C 1.876 178.431 176.600 -0.075 0.000 0.997 298 E CA 1.210 57.575 56.400 -0.058 0.000 0.801 298 E CB -0.384 29.282 29.700 -0.056 0.000 0.746 298 E HN 0.264 nan 8.360 nan 0.000 0.450 299 A N 1.699 124.469 122.820 -0.085 0.000 1.873 299 A HA -0.302 4.019 4.320 0.003 0.000 0.218 299 A C 2.066 179.569 177.584 -0.135 0.000 1.193 299 A CA 1.942 53.908 52.037 -0.118 0.000 0.629 299 A CB -0.589 18.334 19.000 -0.128 0.000 0.826 299 A HN 0.199 nan 8.150 nan 0.000 0.447 300 E N -0.053 120.079 120.200 -0.113 0.000 2.085 300 E HA -0.198 4.154 4.350 0.003 0.000 0.194 300 E C 2.050 178.600 176.600 -0.084 0.000 0.994 300 E CA 1.445 57.783 56.400 -0.102 0.000 0.801 300 E CB -0.482 29.181 29.700 -0.063 0.000 0.743 300 E HN 0.695 nan 8.360 nan 0.000 0.453 301 L N 0.852 122.033 121.223 -0.070 0.000 2.083 301 L HA -0.161 4.181 4.340 0.003 0.000 0.209 301 L C 2.578 179.408 176.870 -0.067 0.000 1.083 301 L CA 1.232 56.036 54.840 -0.059 0.000 0.752 301 L CB -0.435 41.593 42.059 -0.051 0.000 0.899 301 L HN 0.077 nan 8.230 nan 0.000 0.433 302 E N 0.619 120.770 120.200 -0.081 0.000 2.007 302 E HA -0.238 4.114 4.350 0.003 0.000 0.194 302 E C 2.345 178.888 176.600 -0.094 0.000 0.999 302 E CA 1.076 57.425 56.400 -0.086 0.000 0.811 302 E CB -0.177 29.465 29.700 -0.097 0.000 0.762 302 E HN 0.357 nan 8.360 nan 0.000 0.450 303 L N 0.259 121.406 121.223 -0.125 0.000 2.103 303 L HA -0.312 4.029 4.340 0.003 0.000 0.215 303 L C 2.287 179.103 176.870 -0.089 0.000 1.080 303 L CA 1.657 56.414 54.840 -0.139 0.000 0.764 303 L CB -0.294 41.643 42.059 -0.203 0.000 0.890 303 L HN 0.261 nan 8.230 nan 0.000 0.435 304 A N -1.176 121.602 122.820 -0.070 0.000 1.903 304 A HA -0.204 4.118 4.320 0.003 0.000 0.213 304 A C 2.076 179.634 177.584 -0.043 0.000 1.185 304 A CA 1.177 53.186 52.037 -0.046 0.000 0.628 304 A CB -0.372 18.605 19.000 -0.038 0.000 0.830 304 A HN 0.472 nan 8.150 nan 0.000 0.446 305 E N 0.085 120.257 120.200 -0.048 0.000 2.153 305 E HA -0.192 4.160 4.350 0.003 0.000 0.194 305 E C 1.701 178.276 176.600 -0.041 0.000 0.988 305 E CA 1.213 57.588 56.400 -0.042 0.000 0.811 305 E CB -0.030 29.642 29.700 -0.046 0.000 0.746 305 E HN 0.543 nan 8.360 nan 0.000 0.466 306 N N 0.469 119.137 118.700 -0.053 0.000 2.062 306 N HA -0.112 4.630 4.740 0.003 0.000 0.191 306 N C 1.636 177.110 175.510 -0.059 0.000 1.042 306 N CA 1.060 54.075 53.050 -0.059 0.000 0.845 306 N CB -0.255 38.188 38.487 -0.073 0.000 1.024 306 N HN 0.151 nan 8.380 nan 0.000 0.424 307 R N 0.759 121.227 120.500 -0.052 0.000 2.154 307 R HA -0.171 4.171 4.340 0.003 0.000 0.248 307 R C 1.844 178.124 176.300 -0.034 0.000 1.155 307 R CA 1.143 57.217 56.100 -0.043 0.000 0.979 307 R CB -0.216 30.070 30.300 -0.024 0.000 0.869 307 R HN 0.281 nan 8.270 nan 0.000 0.452 308 E N 1.425 121.609 120.200 -0.026 0.000 2.017 308 E HA -0.123 4.228 4.350 0.003 0.000 0.193 308 E C 1.897 178.498 176.600 0.002 0.000 0.997 308 E CA 1.300 57.693 56.400 -0.012 0.000 0.804 308 E CB -0.159 29.533 29.700 -0.014 0.000 0.757 308 E HN 0.290 nan 8.360 nan 0.000 0.448 309 I N 0.286 120.858 120.570 0.004 0.000 2.264 309 I HA -0.268 3.904 4.170 0.003 0.000 0.248 309 I C 2.195 178.366 176.117 0.091 0.000 1.111 309 I CA 1.072 62.406 61.300 0.056 0.000 1.382 309 I CB -0.484 37.549 38.000 0.054 0.000 1.060 309 I HN 0.127 nan 8.210 nan 0.000 0.418 310 L N 0.386 121.570 121.223 -0.065 0.000 2.418 310 L HA -0.032 4.309 4.340 0.003 0.000 0.218 310 L C 1.438 178.282 176.870 -0.042 0.000 1.125 310 L CA 0.449 55.160 54.840 -0.215 0.000 0.835 310 L CB -0.311 41.566 42.059 -0.305 0.000 0.953 310 L HN 0.036 nan 8.230 nan 0.000 0.454 311 K N 1.845 122.244 120.400 -0.002 0.000 3.256 311 K HA -0.037 4.285 4.320 0.003 0.000 0.285 311 K C -0.110 176.515 176.600 0.043 0.000 1.086 311 K CA 0.182 56.477 56.287 0.014 0.000 1.125 311 K CB -0.340 32.164 32.500 0.006 0.000 1.292 311 K HN 0.234 nan 8.250 nan 0.000 0.312 312 E N -1.234 119.013 120.200 0.079 0.000 2.343 312 E HA 0.156 4.508 4.350 0.003 0.000 0.275 312 E C -3.254 173.444 176.600 0.163 0.000 1.225 312 E CA -1.233 55.221 56.400 0.091 0.000 0.947 312 E CB 0.206 29.946 29.700 0.066 0.000 1.273 312 E HN -0.101 nan 8.360 nan 0.000 0.405 313 P HA 0.518 nan 4.420 nan 0.000 0.313 313 P C -1.109 176.180 177.300 -0.019 0.000 1.480 313 P CA -0.590 62.591 63.100 0.135 0.000 1.132 313 P CB 1.986 33.748 31.700 0.104 0.000 1.346 314 V N 3.328 123.085 119.914 -0.262 0.000 2.547 314 V HA 0.542 4.664 4.120 0.003 0.000 0.299 314 V C 0.104 175.943 176.094 -0.425 0.000 1.040 314 V CA -0.488 61.516 62.300 -0.493 0.000 0.913 314 V CB 1.296 32.553 31.823 -0.944 0.000 0.992 314 V HN 0.713 nan 8.190 nan 0.000 0.449 315 H N 1.745 120.543 119.070 -0.454 0.000 2.821 315 H HA 0.785 5.343 4.556 0.003 0.000 0.373 315 H C -0.371 174.569 175.328 -0.647 0.000 1.165 315 H CA -0.676 55.063 56.048 -0.515 0.000 1.154 315 H CB 2.339 31.878 29.762 -0.373 0.000 1.765 315 H HN 0.777 nan 8.280 nan 0.000 0.549 316 G N 0.860 108.998 108.800 -1.103 0.000 2.441 316 G HA2 0.500 4.462 3.960 0.003 0.000 0.334 316 G HA3 0.500 4.462 3.960 0.003 0.000 0.334 316 G C 0.097 174.585 174.900 -0.687 0.000 1.161 316 G CA -0.318 44.149 45.100 -1.055 0.000 0.935 316 G HN 0.703 nan 8.290 nan 0.000 0.488 317 V N -1.101 118.664 119.914 -0.248 0.000 3.403 317 V HA 0.658 4.780 4.120 0.003 0.000 0.305 317 V C -0.242 175.911 176.094 0.099 0.000 1.060 317 V CA -1.090 61.174 62.300 -0.060 0.000 1.053 317 V CB 0.607 32.452 31.823 0.037 0.000 1.198 317 V HN 0.567 nan 8.190 nan 0.000 0.447 318 Y N -0.938 119.571 120.300 0.348 0.000 2.593 318 Y HA 0.554 5.104 4.550 -0.000 0.000 0.330 318 Y C -0.239 175.865 175.900 0.340 0.000 1.223 318 Y CA -0.732 57.579 58.100 0.352 0.000 1.350 318 Y CB 0.618 39.227 38.460 0.248 0.000 1.499 318 Y HN 0.694 nan 8.280 nan 0.000 0.554 319 Y N 1.592 122.121 120.300 0.382 0.000 2.326 319 Y HA 0.263 4.817 4.550 0.005 0.000 0.337 319 Y C -0.623 175.370 175.900 0.156 0.000 1.023 319 Y CA -1.674 56.579 58.100 0.256 0.000 1.143 319 Y CB 0.610 39.294 38.460 0.372 0.000 1.183 319 Y HN 0.474 nan 8.280 nan 0.000 0.485 320 D N 9.247 129.413 120.400 -0.390 0.000 2.485 320 D HA 0.239 4.881 4.640 0.003 0.000 0.221 320 D C -1.893 173.913 176.300 -0.823 0.000 1.112 320 D CA -2.320 51.409 54.000 -0.452 0.000 0.911 320 D CB 1.478 42.178 40.800 -0.168 0.000 1.019 320 D HN 0.378 nan 8.370 nan 0.000 0.516 321 P HA -0.180 nan 4.420 nan 0.000 0.224 321 P C 1.055 178.216 177.300 -0.232 0.000 1.142 321 P CA 0.836 63.535 63.100 -0.669 0.000 0.778 321 P CB 0.294 31.811 31.700 -0.305 0.000 0.764 322 S N -0.873 114.709 115.700 -0.196 0.000 2.341 322 S HA -0.002 4.470 4.470 0.003 0.000 0.216 322 S C 1.141 175.701 174.600 -0.067 0.000 1.034 322 S CA 0.108 58.252 58.200 -0.093 0.000 0.964 322 S CB -0.848 62.306 63.200 -0.077 0.000 0.882 322 S HN 0.095 nan 8.310 nan 0.000 0.469 323 K N 1.758 122.111 120.400 -0.077 0.000 2.344 323 K HA 0.156 4.478 4.320 0.003 0.000 0.260 323 K C -0.370 176.220 176.600 -0.017 0.000 0.988 323 K CA 0.047 56.309 56.287 -0.041 0.000 0.909 323 K CB 0.085 32.565 32.500 -0.033 0.000 0.968 323 K HN 0.271 nan 8.250 nan 0.000 0.505 324 D N 0.230 120.618 120.400 -0.020 0.000 2.506 324 D HA 0.377 5.019 4.640 0.003 0.000 0.272 324 D C -0.478 175.766 176.300 -0.093 0.000 1.214 324 D CA -0.362 53.614 54.000 -0.040 0.000 1.067 324 D CB 0.714 41.483 40.800 -0.051 0.000 1.117 324 D HN 0.173 nan 8.370 nan 0.000 0.578 325 L N 1.370 122.479 121.223 -0.190 0.000 2.333 325 L HA 0.386 4.728 4.340 0.003 0.000 0.280 325 L C -0.755 175.888 176.870 -0.378 0.000 1.004 325 L CA -0.737 53.888 54.840 -0.360 0.000 0.820 325 L CB 1.541 43.300 42.059 -0.500 0.000 1.247 325 L HN 0.137 nan 8.230 nan 0.000 0.416 326 I N 2.776 123.053 120.570 -0.488 0.000 2.441 326 I HA 0.596 4.768 4.170 0.003 0.000 0.295 326 I C 0.129 175.814 176.117 -0.721 0.000 0.994 326 I CA -0.635 60.314 61.300 -0.586 0.000 1.144 326 I CB 1.760 39.378 38.000 -0.636 0.000 1.314 326 I HN 0.556 nan 8.210 nan 0.000 0.445 327 A N 5.881 128.318 122.820 -0.639 0.000 2.319 327 A HA 0.665 4.987 4.320 0.003 0.000 0.310 327 A C -0.394 177.033 177.584 -0.261 0.000 1.152 327 A CA -0.600 51.121 52.037 -0.526 0.000 0.783 327 A CB 0.965 19.504 19.000 -0.769 0.000 1.184 327 A HN 0.741 nan 8.150 nan 0.000 0.474 328 E N 1.899 122.036 120.200 -0.106 0.000 2.179 328 E HA 0.607 4.959 4.350 0.003 0.000 0.275 328 E C -1.085 175.590 176.600 0.124 0.000 0.945 328 E CA -0.360 56.061 56.400 0.034 0.000 0.792 328 E CB 2.067 31.804 29.700 0.062 0.000 1.125 328 E HN 0.634 nan 8.360 nan 0.000 0.397 329 I N 2.110 122.767 120.570 0.145 0.000 2.689 329 I HA 0.283 4.455 4.170 0.003 0.000 0.299 329 I C -0.754 175.484 176.117 0.201 0.000 1.059 329 I CA -0.894 60.533 61.300 0.211 0.000 1.055 329 I CB 1.981 40.089 38.000 0.179 0.000 1.243 329 I HN 0.366 nan 8.210 nan 0.000 0.425 330 Q N 3.616 123.559 119.800 0.239 0.000 2.359 330 Q HA 0.376 4.718 4.340 0.003 0.000 0.274 330 Q C -0.935 175.139 176.000 0.124 0.000 1.074 330 Q CA -0.899 54.999 55.803 0.159 0.000 0.810 330 Q CB 2.647 31.417 28.738 0.054 0.000 1.342 330 Q HN 0.336 nan 8.270 nan 0.000 0.427 331 K N 1.901 122.269 120.400 -0.053 0.000 2.338 331 K HA 0.075 4.397 4.320 0.003 0.000 0.290 331 K C 0.167 176.538 176.600 -0.381 0.000 1.069 331 K CA 0.318 56.270 56.287 -0.558 0.000 0.941 331 K CB 0.582 32.764 32.500 -0.529 0.000 1.023 331 K HN 0.695 nan 8.250 nan 0.000 0.477 332 Q N 2.152 121.690 119.800 -0.437 0.000 2.061 332 Q HA 0.054 4.395 4.340 0.003 0.000 0.195 332 Q C 0.721 176.576 176.000 -0.242 0.000 0.967 332 Q CA 1.285 56.935 55.803 -0.255 0.000 0.829 332 Q CB 0.433 29.058 28.738 -0.187 0.000 0.900 332 Q HN 0.907 nan 8.270 nan 0.000 0.450 333 G N -0.480 108.135 108.800 -0.308 0.000 2.899 333 G HA2 0.074 4.036 3.960 0.003 0.000 0.137 333 G HA3 0.074 4.036 3.960 0.003 0.000 0.137 333 G C -1.409 173.341 174.900 -0.250 0.000 1.198 333 G CA -0.765 44.202 45.100 -0.222 0.000 1.126 333 G HN 0.179 nan 8.290 nan 0.000 0.589 334 Q N 0.985 120.683 119.800 -0.171 0.000 2.513 334 Q HA 0.432 4.774 4.340 0.003 0.000 0.227 334 Q C 0.839 176.776 176.000 -0.106 0.000 1.257 334 Q CA 0.157 55.885 55.803 -0.125 0.000 0.915 334 Q CB 0.287 28.973 28.738 -0.087 0.000 1.507 334 Q HN 1.667 nan 8.270 nan 0.000 0.543 335 G N 2.499 111.242 108.800 -0.096 0.000 2.249 335 G HA2 -0.322 3.640 3.960 0.003 0.000 0.273 335 G HA3 -0.322 3.640 3.960 0.003 0.000 0.273 335 G C -0.309 174.570 174.900 -0.035 0.000 1.036 335 G CA -0.032 45.118 45.100 0.084 0.000 0.824 335 G HN 0.612 nan 8.290 nan 0.000 0.504 336 Q N -1.066 118.505 119.800 -0.381 0.000 2.327 336 Q HA 0.553 4.895 4.340 0.003 0.000 0.270 336 Q C -0.754 174.832 176.000 -0.689 0.000 1.022 336 Q CA -0.788 54.819 55.803 -0.326 0.000 0.773 336 Q CB 1.210 29.817 28.738 -0.220 0.000 1.251 336 Q HN 0.391 nan 8.270 nan 0.000 0.457 337 W N 0.911 122.262 121.300 0.086 0.000 2.706 337 W HA 0.614 5.275 4.660 0.002 0.000 0.346 337 W C 0.002 176.606 176.519 0.142 0.000 1.071 337 W CA -0.711 56.715 57.345 0.135 0.000 1.206 337 W CB 1.946 31.543 29.460 0.227 0.000 1.413 337 W HN 0.278 nan 8.180 nan 0.000 0.542 338 T N 1.935 116.674 114.554 0.309 0.000 2.916 338 T HA 0.635 4.987 4.350 0.003 0.000 0.298 338 T C -1.607 173.244 174.700 0.251 0.000 1.031 338 T CA -0.507 61.708 62.100 0.191 0.000 0.993 338 T CB 0.510 69.406 68.868 0.047 0.000 1.045 338 T HN 0.336 nan 8.240 nan 0.000 0.454 339 Y N 1.784 122.149 120.300 0.107 0.000 2.576 339 Y HA 0.866 5.418 4.550 0.003 0.000 0.346 339 Y C -1.180 174.741 175.900 0.035 0.000 1.018 339 Y CA -1.251 56.893 58.100 0.073 0.000 1.050 339 Y CB 1.513 40.023 38.460 0.082 0.000 1.280 339 Y HN 0.499 nan 8.280 nan 0.000 0.474 340 Q N 2.834 122.721 119.800 0.145 0.000 2.289 340 Q HA 0.587 4.928 4.340 0.003 0.000 0.270 340 Q C -1.452 174.567 176.000 0.033 0.000 1.038 340 Q CA -0.543 55.289 55.803 0.049 0.000 0.812 340 Q CB 3.042 31.799 28.738 0.032 0.000 1.300 340 Q HN 0.688 nan 8.270 nan 0.000 0.427 341 I N 3.213 123.800 120.570 0.028 0.000 2.412 341 I HA 0.597 4.769 4.170 0.003 0.000 0.296 341 I C -0.789 175.275 176.117 -0.088 0.000 0.987 341 I CA -1.082 60.132 61.300 -0.143 0.000 1.180 341 I CB 0.601 38.556 38.000 -0.074 0.000 1.340 341 I HN 0.686 nan 8.210 nan 0.000 0.455 342 Y N 3.004 123.243 120.300 -0.101 0.000 2.638 342 Y HA 0.430 4.982 4.550 0.003 0.000 0.335 342 Y C -0.142 175.692 175.900 -0.111 0.000 1.155 342 Y CA -1.071 56.986 58.100 -0.071 0.000 1.046 342 Y CB 1.087 39.549 38.460 0.003 0.000 1.303 342 Y HN 0.486 nan 8.280 nan 0.000 0.460 343 Q N 0.358 120.300 119.800 0.237 0.000 2.442 343 Q HA 0.121 4.462 4.340 0.003 0.000 0.228 343 Q C -0.514 175.603 176.000 0.195 0.000 0.902 343 Q CA 0.486 56.367 55.803 0.129 0.000 0.933 343 Q CB 1.128 29.899 28.738 0.055 0.000 1.071 343 Q HN 0.776 nan 8.270 nan 0.000 0.562 344 E N 1.831 122.111 120.200 0.132 0.000 2.165 344 E HA 0.241 4.593 4.350 0.003 0.000 0.266 344 E C -2.580 173.844 176.600 -0.292 0.000 0.889 344 E CA -2.618 53.753 56.400 -0.048 0.000 0.756 344 E CB 1.460 31.122 29.700 -0.062 0.000 1.131 344 E HN -0.215 nan 8.360 nan 0.000 0.411 345 P HA -0.124 nan 4.420 nan 0.000 0.249 345 P C -0.882 175.905 177.300 -0.854 0.000 1.140 345 P CA 0.803 63.214 63.100 -1.149 0.000 0.803 345 P CB -0.117 30.948 31.700 -1.059 0.000 0.745 346 F N 0.876 120.292 119.950 -0.890 0.000 2.078 346 F HA -0.179 4.350 4.527 0.003 0.000 0.387 346 F C 0.597 176.234 175.800 -0.272 0.000 0.557 346 F CA 0.136 57.863 58.000 -0.454 0.000 1.954 346 F CB -1.863 36.952 39.000 -0.309 0.000 2.632 346 F HN 0.309 nan 8.300 nan 0.000 0.254 347 K N 2.201 122.557 120.400 -0.073 0.000 2.319 347 K HA 0.263 4.585 4.320 0.003 0.000 0.237 347 K C 0.212 176.813 176.600 0.001 0.000 1.113 347 K CA -0.475 55.775 56.287 -0.062 0.000 1.072 347 K CB 0.266 32.733 32.500 -0.056 0.000 1.734 347 K HN -0.019 nan 8.250 nan 0.000 0.429 348 N N 1.743 120.437 118.700 -0.010 0.000 2.412 348 N HA -0.049 4.693 4.740 0.003 0.000 0.254 348 N C 1.109 176.634 175.510 0.026 0.000 1.232 348 N CA 0.022 53.101 53.050 0.048 0.000 0.880 348 N CB 0.670 39.131 38.487 -0.043 0.000 1.076 348 N HN 0.241 nan 8.380 nan 0.000 0.458 349 L N 1.734 123.039 121.223 0.136 0.000 2.145 349 L HA 0.110 4.452 4.340 0.003 0.000 0.201 349 L C 0.962 178.087 176.870 0.423 0.000 1.075 349 L CA 1.476 56.489 54.840 0.288 0.000 0.773 349 L CB -0.239 42.001 42.059 0.302 0.000 0.936 349 L HN 0.701 nan 8.230 nan 0.000 0.451 350 K N -2.369 118.211 120.400 0.299 0.000 2.578 350 K HA 0.557 4.878 4.320 0.003 0.000 0.287 350 K C -0.869 175.783 176.600 0.087 0.000 1.010 350 K CA -0.499 55.955 56.287 0.279 0.000 0.889 350 K CB 1.765 34.465 32.500 0.332 0.000 1.514 350 K HN -0.095 nan 8.250 nan 0.000 0.424 351 T N -2.433 112.107 114.554 -0.023 0.000 2.773 351 T HA 0.908 5.259 4.350 0.003 0.000 0.278 351 T C 0.115 174.535 174.700 -0.467 0.000 1.011 351 T CA -0.270 61.692 62.100 -0.231 0.000 1.014 351 T CB 1.767 70.526 68.868 -0.182 0.000 1.293 351 T HN 1.168 nan 8.240 nan 0.000 0.554 352 G N -0.020 108.313 108.800 -0.778 0.000 2.313 352 G HA2 0.529 4.491 3.960 0.003 0.000 0.296 352 G HA3 0.529 4.491 3.960 0.003 0.000 0.296 352 G C -2.098 172.459 174.900 -0.572 0.000 1.356 352 G CA -0.718 43.925 45.100 -0.761 0.000 0.833 352 G HN 0.981 nan 8.290 nan 0.000 0.552 353 K N -1.327 119.045 120.400 -0.047 0.000 2.482 353 K HA 0.756 5.078 4.320 0.003 0.000 0.257 353 K C -2.094 174.757 176.600 0.418 0.000 0.969 353 K CA -1.134 55.280 56.287 0.211 0.000 0.842 353 K CB 2.972 35.535 32.500 0.105 0.000 1.359 353 K HN 0.778 nan 8.250 nan 0.000 0.441 354 Y N 0.177 120.675 120.300 0.330 0.000 2.406 354 Y HA 0.557 5.108 4.550 0.003 0.000 0.340 354 Y C -0.684 175.428 175.900 0.352 0.000 0.975 354 Y CA -0.232 58.041 58.100 0.288 0.000 1.056 354 Y CB 2.241 40.821 38.460 0.199 0.000 1.210 354 Y HN 0.854 nan 8.280 nan 0.000 0.448 355 A N 5.085 127.634 122.820 -0.452 0.000 1.933 355 A HA 0.300 4.622 4.320 0.003 0.000 0.198 355 A C 0.658 177.976 177.584 -0.444 0.000 1.617 355 A CA -0.268 51.612 52.037 -0.262 0.000 1.039 355 A CB -0.117 18.807 19.000 -0.127 0.000 1.066 355 A HN 0.715 nan 8.150 nan 0.000 0.484 356 R N -0.391 119.727 120.500 -0.635 0.000 2.606 356 R HA -0.157 4.185 4.340 0.003 0.000 0.254 356 R C -0.573 175.643 176.300 -0.140 0.000 0.912 356 R CA 0.839 56.725 56.100 -0.356 0.000 1.024 356 R CB -0.023 30.120 30.300 -0.261 0.000 0.870 356 R HN 0.385 nan 8.270 nan 0.000 0.417 357 M N 5.060 124.632 119.600 -0.046 0.000 2.268 357 M HA 0.151 4.632 4.480 0.003 0.000 0.340 357 M C -0.381 175.937 176.300 0.030 0.000 1.099 357 M CA -0.216 55.085 55.300 0.003 0.000 1.053 357 M CB 0.568 33.164 32.600 -0.007 0.000 1.284 357 M HN 0.399 nan 8.290 nan 0.000 0.410 358 R N 2.008 122.549 120.500 0.068 0.000 2.419 358 R HA 0.503 4.844 4.340 0.003 0.000 0.305 358 R C 0.279 176.622 176.300 0.072 0.000 1.242 358 R CA 0.399 56.549 56.100 0.083 0.000 1.105 358 R CB 0.074 30.445 30.300 0.117 0.000 1.116 358 R HN 0.960 nan 8.270 nan 0.000 0.523 359 G N 0.845 109.673 108.800 0.047 0.000 2.373 359 G HA2 -0.108 3.854 3.960 0.003 0.000 0.634 359 G HA3 -0.108 3.854 3.960 0.003 0.000 0.634 359 G C -0.188 174.678 174.900 -0.056 0.000 1.267 359 G CA -0.308 44.807 45.100 0.025 0.000 1.008 359 G HN 0.464 nan 8.290 nan 0.000 0.497 360 A N -1.076 121.632 122.820 -0.188 0.000 2.085 360 A HA 0.572 4.894 4.320 0.003 0.000 0.208 360 A C 0.789 178.034 177.584 -0.565 0.000 1.191 360 A CA 1.537 53.329 52.037 -0.409 0.000 0.799 360 A CB 0.024 18.683 19.000 -0.568 0.000 0.877 360 A HN 1.097 nan 8.150 nan 0.000 0.473 361 H N -1.661 117.446 119.070 0.061 0.000 2.930 361 H HA 0.663 5.220 4.556 0.003 0.000 0.371 361 H C -0.986 174.378 175.328 0.060 0.000 1.169 361 H CA 0.069 56.148 56.048 0.050 0.000 1.157 361 H CB 1.507 31.295 29.762 0.044 0.000 1.789 361 H HN 0.116 nan 8.280 nan 0.000 0.547 362 T N 0.907 115.553 114.554 0.153 0.000 2.693 362 T HA 0.334 4.686 4.350 0.003 0.000 0.304 362 T C -1.431 173.291 174.700 0.037 0.000 1.471 362 T CA -0.791 61.358 62.100 0.082 0.000 0.993 362 T CB 1.752 70.659 68.868 0.066 0.000 1.554 362 T HN 0.930 nan 8.240 nan 0.000 0.496 363 N N -0.119 118.555 118.700 -0.044 0.000 2.902 363 N HA 0.471 5.213 4.740 0.003 0.000 0.268 363 N C -0.214 175.261 175.510 -0.059 0.000 1.450 363 N CA -0.609 52.399 53.050 -0.070 0.000 0.819 363 N CB 0.293 38.671 38.487 -0.182 0.000 1.540 363 N HN 0.381 nan 8.380 nan 0.000 0.545 364 D N -0.600 119.805 120.400 0.009 0.000 2.224 364 D HA 0.001 4.643 4.640 0.003 0.000 0.205 364 D C 1.615 177.845 176.300 -0.117 0.000 0.965 364 D CA 0.796 54.874 54.000 0.129 0.000 0.852 364 D CB -0.064 40.910 40.800 0.290 0.000 0.947 364 D HN 0.336 nan 8.370 nan 0.000 0.494 365 V N 1.185 120.888 119.914 -0.351 0.000 2.358 365 V HA -0.189 3.933 4.120 0.003 0.000 0.246 365 V C 2.296 178.078 176.094 -0.520 0.000 1.047 365 V CA 1.323 63.314 62.300 -0.515 0.000 1.035 365 V CB -0.340 30.923 31.823 -0.933 0.000 0.658 365 V HN 0.162 nan 8.190 nan 0.000 0.452 366 K N -0.127 119.917 120.400 -0.593 0.000 2.097 366 K HA -0.189 4.133 4.320 0.003 0.000 0.206 366 K C 2.267 178.724 176.600 -0.238 0.000 1.049 366 K CA 1.423 57.506 56.287 -0.340 0.000 0.933 366 K CB -0.181 32.172 32.500 -0.245 0.000 0.717 366 K HN 0.565 nan 8.250 nan 0.000 0.442 367 Q N 0.725 120.379 119.800 -0.242 0.000 2.083 367 Q HA -0.045 4.297 4.340 0.003 0.000 0.198 367 Q C 2.287 177.850 176.000 -0.728 0.000 0.969 367 Q CA 0.654 56.282 55.803 -0.291 0.000 0.838 367 Q CB -0.103 28.596 28.738 -0.064 0.000 0.900 367 Q HN 0.312 nan 8.270 nan 0.000 0.436 368 L N 1.222 121.940 121.223 -0.842 0.000 2.043 368 L HA -0.214 4.128 4.340 0.003 0.000 0.212 368 L C 2.606 179.044 176.870 -0.720 0.000 1.075 368 L CA 2.063 56.346 54.840 -0.928 0.000 0.752 368 L CB -0.567 41.139 42.059 -0.588 0.000 0.891 368 L HN 0.427 nan 8.230 nan 0.000 0.432 369 T N -4.462 109.781 114.554 -0.518 0.000 3.023 369 T HA -0.144 4.208 4.350 0.003 0.000 0.266 369 T C 1.515 175.942 174.700 -0.455 0.000 1.093 369 T CA 0.954 62.779 62.100 -0.459 0.000 1.129 369 T CB -0.096 68.653 68.868 -0.199 0.000 0.899 369 T HN 0.376 nan 8.240 nan 0.000 0.491 370 E N 1.196 121.112 120.200 -0.474 0.000 2.072 370 E HA 0.101 4.453 4.350 0.003 0.000 0.191 370 E C 2.566 178.629 176.600 -0.896 0.000 0.985 370 E CA 1.049 57.140 56.400 -0.514 0.000 0.801 370 E CB -0.343 29.151 29.700 -0.344 0.000 0.750 370 E HN 0.677 nan 8.360 nan 0.000 0.452 371 A N 0.575 122.704 122.820 -1.151 0.000 1.902 371 A HA -0.140 4.181 4.320 0.003 0.000 0.217 371 A C 2.435 179.621 177.584 -0.663 0.000 1.181 371 A CA 1.057 52.449 52.037 -1.076 0.000 0.623 371 A CB -0.630 17.883 19.000 -0.811 0.000 0.818 371 A HN 0.139 nan 8.150 nan 0.000 0.443 372 V N -0.132 119.385 119.914 -0.662 0.000 2.392 372 V HA -0.260 3.862 4.120 0.003 0.000 0.249 372 V C 2.795 178.599 176.094 -0.482 0.000 1.059 372 V CA 2.150 64.019 62.300 -0.718 0.000 1.051 372 V CB -0.613 30.591 31.823 -1.031 0.000 0.658 372 V HN 0.525 nan 8.190 nan 0.000 0.455 373 Q N -0.014 119.536 119.800 -0.415 0.000 2.079 373 Q HA -0.166 4.176 4.340 0.003 0.000 0.200 373 Q C 2.349 178.228 176.000 -0.201 0.000 0.974 373 Q CA 1.586 57.239 55.803 -0.251 0.000 0.840 373 Q CB -0.433 28.183 28.738 -0.204 0.000 0.898 373 Q HN 0.619 nan 8.270 nan 0.000 0.430 374 K N 0.528 120.755 120.400 -0.288 0.000 2.097 374 K HA -0.094 4.228 4.320 0.003 0.000 0.205 374 K C 2.002 178.492 176.600 -0.184 0.000 1.050 374 K CA 0.927 57.092 56.287 -0.203 0.000 0.938 374 K CB -0.154 32.214 32.500 -0.219 0.000 0.718 374 K HN 0.202 nan 8.250 nan 0.000 0.442 375 I N 1.070 121.481 120.570 -0.266 0.000 2.286 375 I HA -0.211 3.961 4.170 0.003 0.000 0.245 375 I C 2.271 178.369 176.117 -0.032 0.000 1.104 375 I CA 1.185 62.338 61.300 -0.245 0.000 1.397 375 I CB -0.582 37.230 38.000 -0.314 0.000 1.072 375 I HN 0.143 nan 8.210 nan 0.000 0.417 376 T N 0.437 115.027 114.554 0.059 0.000 2.580 376 T HA -0.229 4.123 4.350 0.003 0.000 0.265 376 T C 1.949 176.677 174.700 0.046 0.000 1.063 376 T CA 2.415 64.578 62.100 0.104 0.000 1.170 376 T CB -0.538 68.376 68.868 0.077 0.000 0.863 376 T HN 0.353 nan 8.240 nan 0.000 0.418 377 T N 1.453 116.013 114.554 0.009 0.000 2.597 377 T HA -0.223 4.129 4.350 0.003 0.000 0.267 377 T C 1.932 176.626 174.700 -0.010 0.000 1.053 377 T CA 1.991 64.093 62.100 0.004 0.000 1.165 377 T CB -0.525 68.339 68.868 -0.006 0.000 0.863 377 T HN 0.658 nan 8.240 nan 0.000 0.427 378 E N 0.491 120.675 120.200 -0.026 0.000 2.147 378 E HA -0.178 4.173 4.350 0.003 0.000 0.199 378 E C 2.193 178.739 176.600 -0.089 0.000 1.005 378 E CA 1.601 57.968 56.400 -0.056 0.000 0.810 378 E CB -0.156 29.520 29.700 -0.041 0.000 0.736 378 E HN 0.390 nan 8.360 nan 0.000 0.460 379 S N 0.502 116.222 115.700 0.033 0.000 2.357 379 S HA -0.077 4.395 4.470 0.003 0.000 0.221 379 S C 1.949 176.598 174.600 0.081 0.000 1.031 379 S CA 1.068 59.384 58.200 0.194 0.000 0.982 379 S CB -0.198 63.164 63.200 0.270 0.000 0.853 379 S HN 0.330 nan 8.310 nan 0.000 0.458 380 I N 1.721 122.320 120.570 0.048 0.000 2.118 380 I HA -0.173 3.999 4.170 0.003 0.000 0.241 380 I C 2.261 178.361 176.117 -0.029 0.000 1.070 380 I CA 1.234 62.553 61.300 0.033 0.000 1.327 380 I CB -1.552 36.469 38.000 0.036 0.000 1.034 380 I HN 0.158 nan 8.210 nan 0.000 0.405 381 V N 1.926 121.798 119.914 -0.069 0.000 2.214 381 V HA -0.308 3.814 4.120 0.003 0.000 0.247 381 V C 2.557 178.519 176.094 -0.220 0.000 1.051 381 V CA 2.165 64.399 62.300 -0.110 0.000 1.003 381 V CB -0.565 31.201 31.823 -0.095 0.000 0.635 381 V HN 0.290 nan 8.190 nan 0.000 0.447 382 I N -1.345 118.959 120.570 -0.444 0.000 2.142 382 I HA -0.245 3.927 4.170 0.003 0.000 0.240 382 I C 2.293 177.973 176.117 -0.728 0.000 1.078 382 I CA 2.070 62.899 61.300 -0.785 0.000 1.343 382 I CB -0.524 36.522 38.000 -1.589 0.000 1.046 382 I HN 0.467 nan 8.210 nan 0.000 0.405 383 W N 0.150 121.329 121.300 -0.201 0.000 3.177 383 W HA 0.320 4.981 4.660 0.002 0.000 0.309 383 W C 1.614 178.070 176.519 -0.104 0.000 1.224 383 W CA 0.755 57.930 57.345 -0.282 0.000 1.718 383 W CB -0.277 28.844 29.460 -0.566 0.000 1.078 383 W HN 0.426 nan 8.180 nan 0.000 0.618 384 G N 1.962 110.819 108.800 0.095 0.000 2.179 384 G HA2 -0.312 3.649 3.960 0.003 0.000 0.260 384 G HA3 -0.312 3.649 3.960 0.003 0.000 0.260 384 G C 0.219 175.185 174.900 0.110 0.000 0.977 384 G CA 0.948 46.105 45.100 0.095 0.000 0.641 384 G HN 0.377 nan 8.290 nan 0.000 0.533 385 K N -0.906 119.576 120.400 0.137 0.000 2.533 385 K HA 0.738 5.060 4.320 0.003 0.000 0.272 385 K C -0.246 176.412 176.600 0.097 0.000 0.985 385 K CA -0.349 56.002 56.287 0.107 0.000 0.876 385 K CB 1.218 33.777 32.500 0.098 0.000 1.452 385 K HN 0.505 nan 8.250 nan 0.000 0.439 386 T N -0.957 113.637 114.554 0.067 0.000 2.928 386 T HA 0.586 4.937 4.350 0.003 0.000 0.284 386 T C -2.316 172.352 174.700 -0.053 0.000 1.008 386 T CA -1.617 60.509 62.100 0.044 0.000 1.057 386 T CB 1.020 69.947 68.868 0.098 0.000 1.018 386 T HN 0.473 nan 8.240 nan 0.000 0.493 387 P HA 0.432 nan 4.420 nan 0.000 0.281 387 P C -0.939 176.147 177.300 -0.356 0.000 1.264 387 P CA -0.947 61.921 63.100 -0.388 0.000 0.824 387 P CB 0.629 31.923 31.700 -0.676 0.000 1.092 388 K N 0.732 120.953 120.400 -0.299 0.000 2.172 388 K HA 0.455 4.777 4.320 0.003 0.000 0.276 388 K C -0.514 175.938 176.600 -0.247 0.000 1.013 388 K CA -0.242 55.966 56.287 -0.132 0.000 0.913 388 K CB 0.474 32.923 32.500 -0.086 0.000 1.055 388 K HN 0.331 nan 8.250 nan 0.000 0.461 389 F N 1.488 121.404 119.950 -0.058 0.000 2.458 389 F HA 0.345 4.875 4.527 0.004 0.000 0.330 389 F C 0.401 176.217 175.800 0.027 0.000 1.082 389 F CA -0.649 57.314 58.000 -0.062 0.000 0.995 389 F CB 1.516 40.444 39.000 -0.120 0.000 1.170 389 F HN 0.127 nan 8.300 nan 0.000 0.478 390 K N 4.852 125.365 120.400 0.188 0.000 2.572 390 K HA 0.492 4.813 4.320 0.003 0.000 0.244 390 K C -1.429 175.250 176.600 0.132 0.000 0.965 390 K CA -0.385 55.998 56.287 0.158 0.000 0.943 390 K CB 1.642 34.193 32.500 0.085 0.000 1.154 390 K HN 0.494 nan 8.250 nan 0.000 0.447 391 L N 3.539 124.852 121.223 0.149 0.000 2.331 391 L HA 0.447 4.788 4.340 0.003 0.000 0.275 391 L C -1.684 175.244 176.870 0.096 0.000 1.022 391 L CA -2.199 52.654 54.840 0.021 0.000 0.812 391 L CB 1.509 43.389 42.059 -0.298 0.000 1.257 391 L HN 0.334 nan 8.230 nan 0.000 0.435 392 P HA 0.102 nan 4.420 nan 0.000 0.258 392 P C -0.360 177.118 177.300 0.297 0.000 1.559 392 P CA 0.531 63.725 63.100 0.158 0.000 0.855 392 P CB 0.139 31.922 31.700 0.138 0.000 1.594 393 I N -0.547 120.223 120.570 0.333 0.000 2.569 393 I HA 0.377 4.549 4.170 0.003 0.000 0.296 393 I C -0.542 175.848 176.117 0.455 0.000 1.028 393 I CA -1.344 60.115 61.300 0.265 0.000 1.082 393 I CB 2.658 40.668 38.000 0.017 0.000 1.264 393 I HN -0.255 nan 8.210 nan 0.000 0.429 394 Q N 4.723 124.626 119.800 0.171 0.000 2.288 394 Q HA 0.154 4.495 4.340 0.003 0.000 0.254 394 Q C 0.666 176.829 176.000 0.272 0.000 0.932 394 Q CA 0.052 55.815 55.803 -0.066 0.000 0.902 394 Q CB 1.735 30.271 28.738 -0.336 0.000 1.203 394 Q HN 0.602 nan 8.270 nan 0.000 0.415 395 K N 2.149 122.705 120.400 0.259 0.000 2.089 395 K HA -0.280 4.042 4.320 0.003 0.000 0.210 395 K C 1.390 178.146 176.600 0.260 0.000 1.048 395 K CA 2.123 58.578 56.287 0.281 0.000 0.926 395 K CB 0.109 32.542 32.500 -0.111 0.000 0.714 395 K HN 0.771 nan 8.250 nan 0.000 0.448 396 E N -0.895 119.372 120.200 0.112 0.000 2.150 396 E HA -0.142 4.210 4.350 0.003 0.000 0.193 396 E C 1.345 178.017 176.600 0.120 0.000 0.985 396 E CA 1.425 57.879 56.400 0.090 0.000 0.814 396 E CB 0.162 29.872 29.700 0.015 0.000 0.752 396 E HN 0.254 nan 8.360 nan 0.000 0.466 397 T N 0.781 115.413 114.554 0.131 0.000 2.770 397 T HA -0.161 4.191 4.350 0.003 0.000 0.263 397 T C 1.206 176.030 174.700 0.207 0.000 1.039 397 T CA 1.055 63.228 62.100 0.121 0.000 1.142 397 T CB -0.467 68.447 68.868 0.076 0.000 0.868 397 T HN 0.441 nan 8.240 nan 0.000 0.435 398 W N 2.964 124.366 121.300 0.171 0.000 2.311 398 W HA -0.213 4.450 4.660 0.004 0.000 0.326 398 W C 2.308 179.031 176.519 0.340 0.000 1.239 398 W CA 2.077 59.555 57.345 0.222 0.000 1.258 398 W CB -0.418 29.206 29.460 0.273 0.000 1.165 398 W HN 0.322 nan 8.180 nan 0.000 0.466 399 E N 0.093 120.357 120.200 0.106 0.000 2.097 399 E HA -0.249 4.103 4.350 0.003 0.000 0.196 399 E C 1.899 178.657 176.600 0.264 0.000 1.000 399 E CA 2.628 59.110 56.400 0.137 0.000 0.804 399 E CB -0.864 28.932 29.700 0.160 0.000 0.740 399 E HN 0.150 nan 8.360 nan 0.000 0.454 400 T N 1.234 115.870 114.554 0.137 0.000 2.652 400 T HA -0.181 4.171 4.350 0.003 0.000 0.267 400 T C 1.285 175.972 174.700 -0.022 0.000 1.039 400 T CA 1.599 63.741 62.100 0.069 0.000 1.153 400 T CB -0.617 68.284 68.868 0.054 0.000 0.863 400 T HN 0.465 nan 8.240 nan 0.000 0.428 401 W N 0.660 121.855 121.300 -0.175 0.000 2.354 401 W HA -0.183 4.479 4.660 0.003 0.000 0.315 401 W C 2.233 178.552 176.519 -0.333 0.000 1.206 401 W CA 1.372 58.551 57.345 -0.275 0.000 1.290 401 W CB -0.944 28.321 29.460 -0.324 0.000 1.152 401 W HN 0.481 nan 8.180 nan 0.000 0.489 402 W N 2.171 123.018 121.300 -0.755 0.000 2.335 402 W HA -0.241 4.421 4.660 0.004 0.000 0.311 402 W C 2.556 178.792 176.519 -0.473 0.000 1.213 402 W CA 3.471 60.358 57.345 -0.763 0.000 1.274 402 W CB -1.011 27.913 29.460 -0.893 0.000 1.148 402 W HN -0.219 nan 8.180 nan 0.000 0.498 403 T N 1.157 115.123 114.554 -0.980 0.000 2.622 403 T HA -0.258 4.093 4.350 0.003 0.000 0.266 403 T C 1.238 175.427 174.700 -0.852 0.000 1.047 403 T CA 2.317 63.550 62.100 -1.445 0.000 1.159 403 T CB -0.342 68.085 68.868 -0.736 0.000 0.863 403 T HN 0.441 nan 8.240 nan 0.000 0.422 404 E N -0.486 119.374 120.200 -0.568 0.000 2.512 404 E HA 0.051 4.403 4.350 0.003 0.000 0.195 404 E C -0.111 176.227 176.600 -0.436 0.000 1.083 404 E CA -0.112 56.035 56.400 -0.421 0.000 0.873 404 E CB -0.171 29.360 29.700 -0.282 0.000 0.897 404 E HN 0.469 nan 8.360 nan 0.000 0.514 405 Y N 2.031 121.839 120.300 -0.820 0.000 2.304 405 Y HA 0.025 4.576 4.550 0.003 0.000 0.328 405 Y C 1.001 176.577 175.900 -0.541 0.000 1.123 405 Y CA -2.342 55.246 58.100 -0.854 0.000 1.218 405 Y CB 0.452 38.138 38.460 -1.290 0.000 1.207 405 Y HN 0.230 nan 8.280 nan 0.000 0.495 406 W N 4.991 125.823 121.300 -0.781 0.000 2.350 406 W HA -0.140 4.522 4.660 0.003 0.000 0.289 406 W C -0.400 175.757 176.519 -0.604 0.000 1.215 406 W CA 0.849 57.827 57.345 -0.612 0.000 1.236 406 W CB -0.228 28.951 29.460 -0.467 0.000 1.130 406 W HN 0.649 nan 8.180 nan 0.000 0.541 407 Q N 1.571 120.261 119.800 -1.850 0.000 2.257 407 Q HA 0.644 4.986 4.340 0.003 0.000 0.262 407 Q C -0.602 174.967 176.000 -0.718 0.000 0.997 407 Q CA -0.585 54.246 55.803 -1.621 0.000 0.873 407 Q CB 1.979 28.995 28.738 -2.869 0.000 1.312 407 Q HN 0.063 nan 8.270 nan 0.000 0.450 408 A N 1.721 124.342 122.820 -0.332 0.000 2.388 408 A HA 0.566 4.888 4.320 0.003 0.000 0.257 408 A C -0.140 177.470 177.584 0.043 0.000 1.095 408 A CA 0.283 52.264 52.037 -0.092 0.000 0.791 408 A CB 0.814 19.812 19.000 -0.003 0.000 1.029 408 A HN 0.786 nan 8.150 nan 0.000 0.489 409 T N 1.874 116.565 114.554 0.228 0.000 2.894 409 T HA 0.581 4.933 4.350 0.003 0.000 0.309 409 T C -1.769 173.307 174.700 0.627 0.000 1.208 409 T CA -0.440 61.895 62.100 0.392 0.000 1.016 409 T CB 1.263 70.404 68.868 0.455 0.000 1.192 409 T HN 1.275 nan 8.240 nan 0.000 0.491 410 W N 6.746 128.216 121.300 0.282 0.000 3.268 410 W HA 0.446 5.108 4.660 0.003 0.000 0.330 410 W C -2.515 174.024 176.519 0.035 0.000 1.074 410 W CA -1.070 56.399 57.345 0.206 0.000 1.263 410 W CB 0.771 30.305 29.460 0.123 0.000 1.250 410 W HN 0.673 nan 8.180 nan 0.000 0.425 411 I N 8.149 128.207 120.570 -0.853 0.000 2.336 411 I HA 0.258 4.430 4.170 0.003 0.000 0.292 411 I C -1.516 173.706 176.117 -1.491 0.000 0.991 411 I CA -1.994 58.630 61.300 -1.127 0.000 1.227 411 I CB 1.427 38.669 38.000 -1.264 0.000 1.366 411 I HN 0.127 nan 8.210 nan 0.000 0.466 412 P HA -0.053 nan 4.420 nan 0.000 0.273 412 P C -0.280 176.890 177.300 -0.217 0.000 1.252 412 P CA -0.391 62.454 63.100 -0.424 0.000 0.809 412 P CB 0.369 32.045 31.700 -0.040 0.000 1.017 413 E N 0.349 120.538 120.200 -0.019 0.000 2.829 413 E HA -0.045 4.307 4.350 0.003 0.000 0.264 413 E C -0.598 176.095 176.600 0.155 0.000 0.922 413 E CA 0.703 57.112 56.400 0.016 0.000 0.960 413 E CB 0.073 29.793 29.700 0.034 0.000 0.918 413 E HN 0.372 nan 8.360 nan 0.000 0.497 414 W N 2.413 123.628 121.300 -0.140 0.000 2.937 414 W HA 0.555 5.216 4.660 0.002 0.000 0.360 414 W C -1.547 174.926 176.519 -0.077 0.000 1.215 414 W CA -0.750 56.532 57.345 -0.104 0.000 1.183 414 W CB 0.739 30.079 29.460 -0.200 0.000 1.458 414 W HN 0.430 nan 8.180 nan 0.000 0.574 415 E N 1.112 121.442 120.200 0.218 0.000 2.343 415 E HA 0.322 4.674 4.350 0.003 0.000 0.278 415 E C -1.480 175.345 176.600 0.375 0.000 0.910 415 E CA -0.873 55.551 56.400 0.040 0.000 0.757 415 E CB 3.274 32.988 29.700 0.024 0.000 1.218 415 E HN 0.273 nan 8.360 nan 0.000 0.435 416 F N 2.666 122.712 119.950 0.161 0.000 2.444 416 F HA 0.425 4.954 4.527 0.004 0.000 0.331 416 F C -0.660 175.234 175.800 0.158 0.000 1.167 416 F CA -0.216 57.948 58.000 0.273 0.000 1.262 416 F CB 0.928 40.038 39.000 0.183 0.000 1.196 416 F HN 0.158 nan 8.300 nan 0.000 0.583 417 V N 5.957 125.246 119.914 -1.041 0.000 2.653 417 V HA 0.246 4.368 4.120 0.003 0.000 0.298 417 V C -0.941 174.514 176.094 -1.066 0.000 1.097 417 V CA -0.879 60.949 62.300 -0.786 0.000 0.908 417 V CB 1.294 32.968 31.823 -0.248 0.000 1.024 417 V HN 0.875 nan 8.190 nan 0.000 0.435 418 N N 4.631 122.789 118.700 -0.904 0.000 2.892 418 N HA 0.086 4.828 4.740 0.003 0.000 0.300 418 N C 0.064 175.505 175.510 -0.114 0.000 1.211 418 N CA 0.697 53.546 53.050 -0.334 0.000 1.158 418 N CB 0.107 38.617 38.487 0.039 0.000 1.455 418 N HN 0.922 nan 8.380 nan 0.000 0.524 419 T N -0.239 114.253 114.554 -0.103 0.000 3.064 419 T HA 0.450 4.802 4.350 0.003 0.000 0.367 419 T C -2.765 171.944 174.700 0.015 0.000 1.202 419 T CA -2.001 60.079 62.100 -0.033 0.000 1.133 419 T CB 1.748 70.590 68.868 -0.043 0.000 1.074 419 T HN -0.006 nan 8.240 nan 0.000 0.519 420 P HA 0.253 nan 4.420 nan 0.000 0.270 420 P C -1.995 175.320 177.300 0.025 0.000 1.223 420 P CA -0.901 62.229 63.100 0.051 0.000 0.785 420 P CB -0.204 31.525 31.700 0.048 0.000 0.923 421 P HA 0.124 nan 4.420 nan 0.000 0.269 421 P C -0.794 176.558 177.300 0.086 0.000 1.209 421 P CA 0.005 63.138 63.100 0.056 0.000 0.776 421 P CB 0.368 32.093 31.700 0.043 0.000 0.876 422 L N 2.515 123.805 121.223 0.111 0.000 2.379 422 L HA 0.251 4.593 4.340 0.003 0.000 0.269 422 L C 0.187 177.129 176.870 0.121 0.000 1.084 422 L CA -0.699 54.225 54.840 0.140 0.000 0.802 422 L CB 1.312 43.459 42.059 0.147 0.000 1.175 422 L HN 0.136 nan 8.230 nan 0.000 0.448 423 V N 3.386 123.378 119.914 0.130 0.000 2.406 423 V HA 0.485 4.607 4.120 0.003 0.000 0.272 423 V C 0.058 176.151 176.094 -0.002 0.000 1.043 423 V CA -0.514 61.847 62.300 0.101 0.000 0.915 423 V CB 0.834 32.730 31.823 0.121 0.000 0.988 423 V HN 0.882 nan 8.190 nan 0.000 0.466 424 K N 4.467 124.815 120.400 -0.087 0.000 2.466 424 K HA 0.738 5.060 4.320 0.003 0.000 0.277 424 K C -1.952 174.486 176.600 -0.269 0.000 1.039 424 K CA -1.146 55.004 56.287 -0.229 0.000 0.904 424 K CB 1.456 33.698 32.500 -0.430 0.000 1.506 424 K HN 0.193 nan 8.250 nan 0.000 0.441 425 L N 1.595 122.651 121.223 -0.278 0.000 2.272 425 L HA 0.311 4.653 4.340 0.003 0.000 0.289 425 L C -0.271 176.429 176.870 -0.284 0.000 1.032 425 L CA -0.258 54.458 54.840 -0.207 0.000 0.810 425 L CB 0.380 42.368 42.059 -0.119 0.000 1.205 425 L HN 0.735 nan 8.230 nan 0.000 0.422 426 W N 4.657 125.918 121.300 -0.065 0.000 3.292 426 W HA 0.156 4.818 4.660 0.003 0.000 0.263 426 W C -0.156 176.485 176.519 0.203 0.000 1.318 426 W CA -0.121 57.263 57.345 0.065 0.000 1.663 426 W CB -0.610 28.923 29.460 0.123 0.000 1.114 426 W HN 0.546 nan 8.180 nan 0.000 0.706 427 Y N -2.397 117.990 120.300 0.145 0.000 2.755 427 Y HA 0.332 4.884 4.550 0.003 0.000 0.368 427 Y C -1.269 174.676 175.900 0.075 0.000 1.177 427 Y CA -1.827 56.334 58.100 0.102 0.000 1.290 427 Y CB 0.139 38.667 38.460 0.114 0.000 1.415 427 Y HN -0.193 nan 8.280 nan 0.000 0.501 428 Q N 2.969 122.901 119.800 0.220 0.000 2.397 428 Q HA 0.531 4.873 4.340 0.003 0.000 0.275 428 Q C -1.697 174.410 176.000 0.178 0.000 1.090 428 Q CA -1.121 54.755 55.803 0.122 0.000 0.809 428 Q CB 3.386 32.160 28.738 0.060 0.000 1.362 428 Q HN 0.709 nan 8.270 nan 0.000 0.431 429 L N 1.867 123.170 121.223 0.132 0.000 2.334 429 L HA 0.241 4.583 4.340 0.003 0.000 0.277 429 L C 0.582 177.491 176.870 0.064 0.000 1.075 429 L CA -0.160 54.732 54.840 0.088 0.000 0.804 429 L CB 0.424 42.499 42.059 0.027 0.000 1.174 429 L HN 0.387 nan 8.230 nan 0.000 0.438 430 E N 2.220 122.476 120.200 0.094 0.000 2.418 430 E HA 0.007 4.359 4.350 0.003 0.000 0.261 430 E C 0.573 177.279 176.600 0.177 0.000 1.070 430 E CA 0.086 56.578 56.400 0.153 0.000 0.931 430 E CB 0.505 30.344 29.700 0.231 0.000 0.954 430 E HN 0.365 nan 8.360 nan 0.000 0.439 431 K N 0.747 121.247 120.400 0.167 0.000 2.243 431 K HA 0.008 4.330 4.320 0.003 0.000 0.201 431 K C 0.085 176.870 176.600 0.308 0.000 1.051 431 K CA 0.796 57.181 56.287 0.163 0.000 0.970 431 K CB 0.424 32.974 32.500 0.085 0.000 0.755 431 K HN 0.445 nan 8.250 nan 0.000 0.465 432 E N 0.258 120.626 120.200 0.279 0.000 2.390 432 E HA 0.276 4.628 4.350 0.003 0.000 0.277 432 E C -2.847 173.611 176.600 -0.238 0.000 0.939 432 E CA -2.480 53.951 56.400 0.052 0.000 0.769 432 E CB 1.435 31.126 29.700 -0.015 0.000 1.251 432 E HN -0.192 nan 8.360 nan 0.000 0.450 433 P HA -0.071 nan 4.420 nan 0.000 0.263 433 P C -0.430 176.731 177.300 -0.232 0.000 1.162 433 P CA 0.394 63.079 63.100 -0.692 0.000 0.758 433 P CB 0.154 31.522 31.700 -0.555 0.000 0.773 434 I N 2.554 123.060 120.570 -0.107 0.000 2.519 434 I HA 0.107 4.278 4.170 0.003 0.000 0.287 434 I C 0.592 176.684 176.117 -0.042 0.000 1.047 434 I CA -0.228 61.051 61.300 -0.034 0.000 1.381 434 I CB 0.511 38.519 38.000 0.014 0.000 1.417 434 I HN 0.052 nan 8.210 nan 0.000 0.540 435 V N 5.461 125.359 119.914 -0.027 0.000 2.546 435 V HA 0.491 4.613 4.120 0.003 0.000 0.284 435 V C 0.918 177.009 176.094 -0.005 0.000 1.050 435 V CA 0.217 62.505 62.300 -0.021 0.000 0.981 435 V CB 0.943 32.755 31.823 -0.018 0.000 0.990 435 V HN 1.064 nan 8.190 nan 0.000 0.474 436 G N 4.503 113.303 108.800 -0.000 0.000 2.350 436 G HA2 0.086 4.048 3.960 0.003 0.000 0.298 436 G HA3 0.086 4.048 3.960 0.003 0.000 0.298 436 G C 0.019 174.929 174.900 0.018 0.000 1.037 436 G CA 0.389 45.495 45.100 0.009 0.000 1.074 436 G HN 1.617 nan 8.290 nan 0.000 0.511 437 A N -0.539 122.296 122.820 0.025 0.000 2.498 437 A HA 0.826 5.148 4.320 0.003 0.000 0.298 437 A C -0.113 177.511 177.584 0.065 0.000 1.075 437 A CA -0.308 51.755 52.037 0.043 0.000 0.714 437 A CB 1.346 20.368 19.000 0.037 0.000 1.299 437 A HN 0.542 nan 8.150 nan 0.000 0.407 438 E N 0.635 120.902 120.200 0.111 0.000 2.289 438 E HA 0.346 4.698 4.350 0.003 0.000 0.278 438 E C -0.686 176.045 176.600 0.218 0.000 1.032 438 E CA -0.074 56.411 56.400 0.141 0.000 0.854 438 E CB 0.637 30.430 29.700 0.154 0.000 1.046 438 E HN 0.526 nan 8.360 nan 0.000 0.409 439 T N 5.377 120.017 114.554 0.143 0.000 2.794 439 T HA 0.203 4.555 4.350 0.003 0.000 0.304 439 T C -0.662 174.155 174.700 0.194 0.000 0.973 439 T CA -0.253 61.936 62.100 0.148 0.000 0.972 439 T CB -0.336 68.595 68.868 0.105 0.000 0.952 439 T HN 0.218 nan 8.240 nan 0.000 0.509 440 F N 3.037 122.954 119.950 -0.054 0.000 2.421 440 F HA 0.313 4.842 4.527 0.003 0.000 0.358 440 F C 0.180 175.971 175.800 -0.015 0.000 1.115 440 F CA -1.286 56.701 58.000 -0.021 0.000 1.160 440 F CB 0.301 39.215 39.000 -0.143 0.000 1.123 440 F HN 0.507 nan 8.300 nan 0.000 0.508 441 Y N 3.606 124.018 120.300 0.186 0.000 2.595 441 Y HA 0.382 4.934 4.550 0.003 0.000 0.347 441 Y C 0.310 176.323 175.900 0.188 0.000 1.025 441 Y CA -0.994 57.191 58.100 0.142 0.000 1.295 441 Y CB 0.288 38.795 38.460 0.079 0.000 1.147 441 Y HN 0.368 nan 8.280 nan 0.000 0.515 442 V N -0.251 119.828 119.914 0.276 0.000 2.904 442 V HA 0.678 4.800 4.120 0.003 0.000 0.305 442 V C -0.308 175.902 176.094 0.193 0.000 1.067 442 V CA -0.474 61.984 62.300 0.264 0.000 1.044 442 V CB 1.878 33.830 31.823 0.215 0.000 1.050 442 V HN 0.607 nan 8.190 nan 0.000 0.475 443 D N -0.327 120.176 120.400 0.171 0.000 2.653 443 D HA 0.722 5.364 4.640 0.003 0.000 0.258 443 D C -0.642 175.726 176.300 0.113 0.000 1.252 443 D CA 0.295 54.373 54.000 0.130 0.000 0.777 443 D CB 2.128 42.999 40.800 0.118 0.000 1.339 443 D HN 1.205 nan 8.370 nan 0.000 0.422 444 G N -0.196 108.665 108.800 0.101 0.000 2.753 444 G HA2 0.724 4.686 3.960 0.003 0.000 0.295 444 G HA3 0.724 4.686 3.960 0.003 0.000 0.295 444 G C -1.595 173.353 174.900 0.079 0.000 1.437 444 G CA -0.174 44.980 45.100 0.089 0.000 1.094 444 G HN 0.526 nan 8.290 nan 0.000 0.540 445 A N 0.426 123.285 122.820 0.066 0.000 2.469 445 A HA 1.075 5.397 4.320 0.003 0.000 0.299 445 A C -0.402 177.209 177.584 0.045 0.000 1.098 445 A CA -0.315 51.758 52.037 0.061 0.000 0.737 445 A CB 2.059 21.095 19.000 0.061 0.000 1.312 445 A HN 2.445 nan 8.150 nan 0.000 0.414 446 A N 1.378 124.221 122.820 0.039 0.000 2.500 446 A HA 0.558 4.880 4.320 0.003 0.000 0.288 446 A C -1.079 176.519 177.584 0.024 0.000 1.045 446 A CA -0.601 51.453 52.037 0.028 0.000 0.830 446 A CB 0.775 19.790 19.000 0.024 0.000 1.337 446 A HN 0.918 nan 8.150 nan 0.000 0.400 447 N N 2.198 120.911 118.700 0.021 0.000 2.405 447 N HA 0.059 4.801 4.740 0.003 0.000 0.260 447 N C 1.243 176.761 175.510 0.014 0.000 1.152 447 N CA -0.319 52.741 53.050 0.017 0.000 0.948 447 N CB 0.607 39.102 38.487 0.014 0.000 1.111 447 N HN 0.642 nan 8.380 nan 0.000 0.485 448 R N 2.419 122.926 120.500 0.013 0.000 2.249 448 R HA -0.103 4.239 4.340 0.003 0.000 0.230 448 R C 0.392 176.697 176.300 0.008 0.000 1.121 448 R CA 0.854 56.960 56.100 0.009 0.000 0.997 448 R CB 0.034 30.339 30.300 0.009 0.000 0.867 448 R HN 0.600 nan 8.270 nan 0.000 0.465 449 E N 0.516 120.721 120.200 0.009 0.000 2.042 449 E HA -0.065 4.287 4.350 0.003 0.000 0.189 449 E C 1.989 178.593 176.600 0.007 0.000 0.974 449 E CA 1.826 58.230 56.400 0.007 0.000 0.806 449 E CB -0.346 29.358 29.700 0.007 0.000 0.769 449 E HN 0.437 nan 8.360 nan 0.000 0.451 450 T N -1.901 112.658 114.554 0.008 0.000 3.044 450 T HA 0.201 4.552 4.350 0.003 0.000 0.250 450 T C 0.663 175.369 174.700 0.010 0.000 1.081 450 T CA 0.114 62.219 62.100 0.008 0.000 1.040 450 T CB 0.129 69.002 68.868 0.008 0.000 0.962 450 T HN -0.078 nan 8.240 nan 0.000 0.506 451 K N 0.484 120.890 120.400 0.010 0.000 3.069 451 K HA -0.080 4.242 4.320 0.003 0.000 0.267 451 K C -0.636 175.973 176.600 0.014 0.000 1.082 451 K CA 0.206 56.501 56.287 0.012 0.000 0.782 451 K CB -1.808 30.698 32.500 0.010 0.000 1.230 451 K HN 0.431 nan 8.250 nan 0.000 0.488 452 L N 0.443 121.675 121.223 0.014 0.000 2.295 452 L HA 0.598 4.940 4.340 0.003 0.000 0.285 452 L C 0.905 177.786 176.870 0.019 0.000 1.035 452 L CA 0.196 55.045 54.840 0.015 0.000 0.806 452 L CB 1.270 43.336 42.059 0.012 0.000 1.214 452 L HN 0.330 nan 8.230 nan 0.000 0.426 453 G N 3.301 112.114 108.800 0.022 0.000 2.498 453 G HA2 0.604 4.566 3.960 0.003 0.000 0.312 453 G HA3 0.604 4.566 3.960 0.003 0.000 0.312 453 G C -1.313 173.603 174.900 0.027 0.000 1.230 453 G CA -0.454 44.663 45.100 0.028 0.000 0.968 453 G HN 0.483 nan 8.290 nan 0.000 0.481 454 K N -0.125 120.294 120.400 0.031 0.000 2.578 454 K HA 0.631 4.953 4.320 0.003 0.000 0.250 454 K C -0.573 176.049 176.600 0.038 0.000 0.955 454 K CA -0.347 55.956 56.287 0.026 0.000 0.825 454 K CB 1.923 34.434 32.500 0.018 0.000 1.151 454 K HN 0.714 nan 8.250 nan 0.000 0.432 455 A N 2.363 125.205 122.820 0.037 0.000 2.318 455 A HA 0.909 5.231 4.320 0.003 0.000 0.324 455 A C -0.317 177.285 177.584 0.030 0.000 1.170 455 A CA -0.251 51.819 52.037 0.055 0.000 0.810 455 A CB 1.311 20.357 19.000 0.076 0.000 1.198 455 A HN 0.770 nan 8.150 nan 0.000 0.484 456 G N 0.055 108.887 108.800 0.053 0.000 2.550 456 G HA2 0.637 4.599 3.960 0.003 0.000 0.293 456 G HA3 0.637 4.599 3.960 0.003 0.000 0.293 456 G C -1.448 173.524 174.900 0.121 0.000 1.402 456 G CA -0.171 44.925 45.100 -0.006 0.000 0.784 456 G HN 1.643 nan 8.290 nan 0.000 0.482 457 Y N -1.736 118.633 120.300 0.115 0.000 2.609 457 Y HA 0.817 5.369 4.550 0.003 0.000 0.342 457 Y C -0.754 175.188 175.900 0.070 0.000 1.058 457 Y CA -1.909 56.280 58.100 0.149 0.000 1.055 457 Y CB 2.002 40.636 38.460 0.290 0.000 1.292 457 Y HN 1.227 nan 8.280 nan 0.000 0.476 458 V N 0.690 120.829 119.914 0.375 0.000 2.532 458 V HA 0.669 4.791 4.120 0.003 0.000 0.294 458 V C -0.304 175.880 176.094 0.150 0.000 1.036 458 V CA 0.316 62.729 62.300 0.188 0.000 0.876 458 V CB 0.630 32.494 31.823 0.069 0.000 1.012 458 V HN 1.405 nan 8.190 nan 0.000 0.432 459 T N 2.241 116.780 114.554 -0.025 0.000 2.852 459 T HA 0.379 4.731 4.350 0.003 0.000 0.281 459 T C 0.863 175.532 174.700 -0.052 0.000 0.993 459 T CA 0.244 62.231 62.100 -0.188 0.000 0.933 459 T CB 1.319 69.785 68.868 -0.670 0.000 1.187 459 T HN 1.045 nan 8.240 nan 0.000 0.559 460 N N -0.665 118.016 118.700 -0.030 0.000 2.203 460 N HA 0.064 4.806 4.740 0.003 0.000 0.207 460 N C 0.681 176.174 175.510 -0.028 0.000 1.130 460 N CA -0.329 52.722 53.050 0.002 0.000 0.861 460 N CB -0.022 38.514 38.487 0.081 0.000 1.005 460 N HN 0.604 nan 8.380 nan 0.000 0.507 461 R N 0.118 120.580 120.500 -0.064 0.000 2.694 461 R HA 0.244 4.585 4.340 0.003 0.000 0.334 461 R C 0.560 176.828 176.300 -0.055 0.000 1.143 461 R CA 0.275 56.343 56.100 -0.053 0.000 1.073 461 R CB 0.035 30.299 30.300 -0.060 0.000 1.366 461 R HN 0.284 nan 8.270 nan 0.000 0.577 462 G N 1.521 110.290 108.800 -0.053 0.000 2.216 462 G HA2 -0.390 3.572 3.960 0.003 0.000 0.269 462 G HA3 -0.390 3.572 3.960 0.003 0.000 0.269 462 G C 0.497 175.375 174.900 -0.037 0.000 0.981 462 G CA 0.428 45.502 45.100 -0.043 0.000 0.658 462 G HN 0.361 nan 8.290 nan 0.000 0.539 463 R N 0.148 120.616 120.500 -0.052 0.000 2.861 463 R HA 0.412 4.754 4.340 0.003 0.000 0.268 463 R C 0.388 176.716 176.300 0.048 0.000 1.027 463 R CA 0.661 56.753 56.100 -0.013 0.000 1.163 463 R CB 0.269 30.532 30.300 -0.061 0.000 1.060 463 R HN 0.500 nan 8.270 nan 0.000 0.483 464 Q N 1.309 121.167 119.800 0.097 0.000 2.594 464 Q HA 0.288 4.630 4.340 0.003 0.000 0.278 464 Q C -1.979 173.875 176.000 -0.243 0.000 0.961 464 Q CA -0.658 55.132 55.803 -0.022 0.000 0.844 464 Q CB 2.059 30.770 28.738 -0.045 0.000 1.475 464 Q HN 0.522 nan 8.270 nan 0.000 0.389 465 K N 0.411 120.486 120.400 -0.543 0.000 2.615 465 K HA 0.766 5.087 4.320 0.003 0.000 0.291 465 K C -2.174 174.189 176.600 -0.394 0.000 1.017 465 K CA -0.432 55.514 56.287 -0.570 0.000 0.882 465 K CB 2.295 34.175 32.500 -1.034 0.000 1.522 465 K HN 0.348 nan 8.250 nan 0.000 0.412 466 V N 1.351 121.121 119.914 -0.239 0.000 2.966 466 V HA 0.472 4.593 4.120 0.003 0.000 0.288 466 V C -1.458 174.587 176.094 -0.082 0.000 1.380 466 V CA -0.856 61.365 62.300 -0.132 0.000 0.966 466 V CB 2.042 33.815 31.823 -0.084 0.000 1.115 466 V HN 0.539 nan 8.190 nan 0.000 0.436 467 V N 2.180 122.068 119.914 -0.044 0.000 2.914 467 V HA 0.678 4.800 4.120 0.003 0.000 0.314 467 V C -0.150 175.944 176.094 0.000 0.000 1.084 467 V CA -0.550 61.740 62.300 -0.017 0.000 0.963 467 V CB 2.821 34.643 31.823 -0.002 0.000 1.025 467 V HN 0.936 nan 8.190 nan 0.000 0.432 468 T N 4.917 119.474 114.554 0.005 0.000 2.771 468 T HA 0.750 5.102 4.350 0.003 0.000 0.281 468 T C -0.529 174.183 174.700 0.020 0.000 0.982 468 T CA -0.255 61.851 62.100 0.011 0.000 0.978 468 T CB 0.822 69.693 68.868 0.006 0.000 0.930 468 T HN 0.342 nan 8.240 nan 0.000 0.447 469 L N 2.143 123.380 121.223 0.025 0.000 2.333 469 L HA 0.586 4.928 4.340 0.003 0.000 0.269 469 L C 1.606 178.491 176.870 0.024 0.000 1.010 469 L CA -0.857 54.002 54.840 0.030 0.000 0.818 469 L CB 1.921 44.004 42.059 0.040 0.000 1.306 469 L HN 0.812 nan 8.230 nan 0.000 0.430 470 T N -4.392 110.176 114.554 0.024 0.000 3.038 470 T HA 0.115 4.467 4.350 0.003 0.000 0.244 470 T C 0.498 175.209 174.700 0.018 0.000 1.016 470 T CA 0.287 62.398 62.100 0.019 0.000 1.098 470 T CB 0.230 69.108 68.868 0.017 0.000 0.954 470 T HN 0.500 nan 8.240 nan 0.000 0.469 471 D N 2.572 122.984 120.400 0.020 0.000 2.749 471 D HA 0.284 4.926 4.640 0.003 0.000 0.338 471 D C -0.264 176.048 176.300 0.020 0.000 1.236 471 D CA -0.017 53.994 54.000 0.018 0.000 0.845 471 D CB 1.262 42.072 40.800 0.016 0.000 1.080 471 D HN 0.580 nan 8.370 nan 0.000 0.497 472 T N -2.088 112.479 114.554 0.021 0.000 2.870 472 T HA 0.701 5.053 4.350 0.003 0.000 0.277 472 T C 0.559 175.268 174.700 0.015 0.000 1.000 472 T CA -0.596 61.518 62.100 0.023 0.000 0.982 472 T CB 2.118 71.005 68.868 0.032 0.000 1.249 472 T HN 0.099 nan 8.240 nan 0.000 0.589 473 T N -2.146 112.415 114.554 0.013 0.000 2.864 473 T HA 0.438 4.790 4.350 0.003 0.000 0.289 473 T C 0.494 175.195 174.700 0.001 0.000 1.082 473 T CA -0.772 61.326 62.100 -0.003 0.000 1.009 473 T CB 1.388 70.242 68.868 -0.022 0.000 1.234 473 T HN 0.398 nan 8.240 nan 0.000 0.526 474 N N 0.174 118.866 118.700 -0.014 0.000 2.188 474 N HA -0.060 4.681 4.740 0.003 0.000 0.184 474 N C 2.054 177.556 175.510 -0.013 0.000 1.018 474 N CA 1.296 54.344 53.050 -0.003 0.000 0.858 474 N CB -0.178 38.302 38.487 -0.010 0.000 0.989 474 N HN 0.564 nan 8.380 nan 0.000 0.426 475 Q N 0.703 120.442 119.800 -0.101 0.000 2.061 475 Q HA -0.151 4.191 4.340 0.003 0.000 0.204 475 Q C 1.526 177.575 176.000 0.080 0.000 0.984 475 Q CA 1.292 56.993 55.803 -0.170 0.000 0.846 475 Q CB -0.246 28.189 28.738 -0.506 0.000 0.902 475 Q HN 0.504 nan 8.270 nan 0.000 0.421 476 K N 0.388 120.821 120.400 0.055 0.000 2.217 476 K HA -0.068 4.253 4.320 0.003 0.000 0.202 476 K C 2.297 178.953 176.600 0.094 0.000 1.051 476 K CA 1.617 57.958 56.287 0.090 0.000 0.952 476 K CB -0.220 32.317 32.500 0.062 0.000 0.736 476 K HN 0.320 nan 8.250 nan 0.000 0.453 477 T N -0.689 113.912 114.554 0.078 0.000 2.857 477 T HA -0.061 4.291 4.350 0.003 0.000 0.266 477 T C 1.762 176.528 174.700 0.110 0.000 1.048 477 T CA 0.820 62.971 62.100 0.085 0.000 1.139 477 T CB -0.093 68.816 68.868 0.067 0.000 0.874 477 T HN 0.171 nan 8.240 nan 0.000 0.455 478 E N 0.393 120.668 120.200 0.125 0.000 2.274 478 E HA 0.086 4.438 4.350 0.003 0.000 0.194 478 E C 1.692 178.387 176.600 0.159 0.000 0.996 478 E CA 0.296 56.785 56.400 0.149 0.000 0.840 478 E CB -0.076 29.729 29.700 0.174 0.000 0.772 478 E HN 0.234 nan 8.360 nan 0.000 0.491 479 L N 0.582 121.903 121.223 0.164 0.000 2.307 479 L HA -0.044 4.298 4.340 0.003 0.000 0.211 479 L C 2.055 179.005 176.870 0.134 0.000 1.099 479 L CA 1.298 56.216 54.840 0.130 0.000 0.816 479 L CB -0.430 41.706 42.059 0.128 0.000 0.952 479 L HN 0.066 nan 8.230 nan 0.000 0.455 480 Q N -0.315 119.573 119.800 0.147 0.000 2.016 480 Q HA -0.070 4.271 4.340 0.003 0.000 0.200 480 Q C 2.365 178.479 176.000 0.190 0.000 0.978 480 Q CA 1.760 57.672 55.803 0.180 0.000 0.833 480 Q CB -0.492 28.331 28.738 0.141 0.000 0.895 480 Q HN 0.435 nan 8.270 nan 0.000 0.427 481 A N 0.912 123.827 122.820 0.160 0.000 1.927 481 A HA -0.215 4.107 4.320 0.003 0.000 0.220 481 A C 2.171 179.866 177.584 0.185 0.000 1.185 481 A CA 1.667 53.809 52.037 0.176 0.000 0.639 481 A CB -0.835 18.263 19.000 0.163 0.000 0.820 481 A HN 0.396 nan 8.150 nan 0.000 0.451 482 I N -2.317 118.341 120.570 0.147 0.000 2.353 482 I HA -0.194 3.977 4.170 0.003 0.000 0.248 482 I C 2.460 178.640 176.117 0.105 0.000 1.119 482 I CA 1.353 62.710 61.300 0.095 0.000 1.417 482 I CB -0.374 37.665 38.000 0.065 0.000 1.078 482 I HN 0.526 nan 8.210 nan 0.000 0.421 483 Y N 1.733 122.037 120.300 0.006 0.000 2.242 483 Y HA -0.177 4.375 4.550 0.003 0.000 0.291 483 Y C 2.239 178.146 175.900 0.012 0.000 1.137 483 Y CA 1.216 59.308 58.100 -0.012 0.000 1.181 483 Y CB -0.436 38.027 38.460 0.005 0.000 0.989 483 Y HN 0.016 nan 8.280 nan 0.000 0.527 484 L N -0.356 120.889 121.223 0.036 0.000 1.955 484 L HA -0.283 4.059 4.340 0.003 0.000 0.213 484 L C 2.725 179.612 176.870 0.029 0.000 1.072 484 L CA 1.689 56.554 54.840 0.042 0.000 0.755 484 L CB -1.175 41.035 42.059 0.251 0.000 0.888 484 L HN 0.303 nan 8.230 nan 0.000 0.432 485 A N -0.347 122.487 122.820 0.025 0.000 1.997 485 A HA -0.235 4.086 4.320 0.003 0.000 0.221 485 A C 2.194 179.397 177.584 -0.635 0.000 1.172 485 A CA 1.748 53.496 52.037 -0.482 0.000 0.645 485 A CB -0.698 18.061 19.000 -0.403 0.000 0.813 485 A HN 0.432 nan 8.150 nan 0.000 0.454 486 L N -1.812 119.222 121.223 -0.315 0.000 2.023 486 L HA -0.195 4.147 4.340 0.003 0.000 0.205 486 L C 2.818 179.548 176.870 -0.234 0.000 1.073 486 L CA 1.639 56.325 54.840 -0.256 0.000 0.745 486 L CB -0.623 41.387 42.059 -0.082 0.000 0.900 486 L HN 0.490 nan 8.230 nan 0.000 0.435 487 Q N 0.258 119.909 119.800 -0.248 0.000 2.047 487 Q HA -0.239 4.103 4.340 0.003 0.000 0.211 487 Q C 0.014 175.936 176.000 -0.130 0.000 1.005 487 Q CA 1.997 57.657 55.803 -0.239 0.000 0.866 487 Q CB 0.078 28.573 28.738 -0.404 0.000 0.938 487 Q HN 0.440 nan 8.270 nan 0.000 0.414 488 D N -0.948 119.398 120.400 -0.090 0.000 3.139 488 D HA 0.071 4.713 4.640 0.003 0.000 0.268 488 D C 0.089 176.404 176.300 0.026 0.000 1.322 488 D CA 0.369 54.382 54.000 0.022 0.000 0.940 488 D CB 0.734 41.647 40.800 0.189 0.000 1.050 488 D HN 0.242 nan 8.370 nan 0.000 0.503 489 S N -1.361 114.287 115.700 -0.087 0.000 2.560 489 S HA 0.362 4.833 4.470 0.003 0.000 0.281 489 S C 1.019 175.605 174.600 -0.024 0.000 1.075 489 S CA 0.348 58.506 58.200 -0.069 0.000 1.295 489 S CB 0.628 63.459 63.200 -0.615 0.000 1.156 489 S HN 0.496 nan 8.310 nan 0.000 0.627 490 G N 2.174 110.947 108.800 -0.046 0.000 2.819 490 G HA2 -0.079 3.883 3.960 0.003 0.000 0.682 490 G HA3 -0.079 3.883 3.960 0.003 0.000 0.682 490 G C 0.212 175.098 174.900 -0.023 0.000 1.481 490 G CA -0.464 44.625 45.100 -0.019 0.000 0.904 490 G HN 0.792 nan 8.290 nan 0.000 0.563 491 L N 0.173 121.392 121.223 -0.008 0.000 2.386 491 L HA -0.187 4.154 4.340 0.003 0.000 0.221 491 L C 1.588 178.456 176.870 -0.002 0.000 1.094 491 L CA 2.593 57.431 54.840 -0.002 0.000 0.825 491 L CB -0.779 41.286 42.059 0.010 0.000 0.895 491 L HN 0.798 nan 8.230 nan 0.000 0.449 492 E N -1.807 118.392 120.200 -0.001 0.000 2.287 492 E HA 0.560 4.912 4.350 0.003 0.000 0.274 492 E C -0.966 175.636 176.600 0.003 0.000 0.896 492 E CA -0.378 56.026 56.400 0.006 0.000 0.788 492 E CB 2.213 31.926 29.700 0.022 0.000 1.244 492 E HN -0.051 nan 8.360 nan 0.000 0.408 493 V N 0.029 119.934 119.914 -0.015 0.000 3.164 493 V HA 0.640 4.762 4.120 0.003 0.000 0.313 493 V C -0.410 175.706 176.094 0.037 0.000 1.188 493 V CA -1.044 61.242 62.300 -0.023 0.000 1.058 493 V CB 2.211 33.915 31.823 -0.199 0.000 1.110 493 V HN 0.601 nan 8.190 nan 0.000 0.453 494 N N 0.558 119.297 118.700 0.064 0.000 2.397 494 N HA 0.623 5.364 4.740 0.003 0.000 0.291 494 N C -1.708 173.844 175.510 0.070 0.000 1.065 494 N CA -0.378 52.744 53.050 0.120 0.000 0.884 494 N CB 2.580 41.128 38.487 0.102 0.000 1.551 494 N HN 0.606 nan 8.380 nan 0.000 0.487 495 I N 1.654 122.248 120.570 0.041 0.000 2.465 495 I HA 0.335 4.506 4.170 0.003 0.000 0.291 495 I C -0.241 175.857 176.117 -0.032 0.000 1.014 495 I CA -1.097 60.196 61.300 -0.012 0.000 1.093 495 I CB 2.241 40.210 38.000 -0.053 0.000 1.267 495 I HN 0.140 nan 8.210 nan 0.000 0.431 496 V N 5.521 125.371 119.914 -0.107 0.000 2.350 496 V HA 0.567 4.689 4.120 0.003 0.000 0.285 496 V C -0.303 175.765 176.094 -0.044 0.000 1.014 496 V CA 0.197 62.419 62.300 -0.131 0.000 0.831 496 V CB 1.673 33.316 31.823 -0.300 0.000 1.000 496 V HN 0.921 nan 8.190 nan 0.000 0.433 497 T N 3.149 117.714 114.554 0.018 0.000 2.938 497 T HA 0.537 4.889 4.350 0.003 0.000 0.285 497 T C 0.128 174.818 174.700 -0.017 0.000 1.028 497 T CA 0.150 62.286 62.100 0.061 0.000 1.005 497 T CB 1.851 70.796 68.868 0.128 0.000 1.157 497 T HN 0.876 nan 8.240 nan 0.000 0.550 498 D N 0.117 120.521 120.400 0.006 0.000 2.513 498 D HA 0.182 4.824 4.640 0.003 0.000 0.222 498 D C 0.114 176.635 176.300 0.368 0.000 1.210 498 D CA -0.254 53.652 54.000 -0.157 0.000 0.825 498 D CB -0.052 40.628 40.800 -0.200 0.000 1.037 498 D HN 0.263 nan 8.370 nan 0.000 0.506 499 S N 0.874 116.811 115.700 0.396 0.000 2.399 499 S HA 0.080 4.551 4.470 0.003 0.000 0.301 499 S C 0.966 175.766 174.600 0.333 0.000 1.093 499 S CA -0.408 58.002 58.200 0.350 0.000 1.077 499 S CB 1.282 64.642 63.200 0.268 0.000 0.980 499 S HN 0.119 nan 8.310 nan 0.000 0.494 500 Q N 3.715 123.638 119.800 0.206 0.000 2.167 500 Q HA -0.146 4.196 4.340 0.003 0.000 0.202 500 Q C 1.274 177.282 176.000 0.013 0.000 0.970 500 Q CA 1.352 57.084 55.803 -0.119 0.000 0.855 500 Q CB -0.123 28.478 28.738 -0.229 0.000 0.911 500 Q HN 0.998 nan 8.270 nan 0.000 0.438 501 Y N 0.194 120.490 120.300 -0.006 0.000 2.145 501 Y HA -0.214 4.337 4.550 0.003 0.000 0.286 501 Y C 1.978 177.890 175.900 0.019 0.000 1.145 501 Y CA 1.887 59.992 58.100 0.009 0.000 1.148 501 Y CB -0.398 38.081 38.460 0.031 0.000 0.981 501 Y HN 0.117 nan 8.280 nan 0.000 0.507 502 A N 0.850 123.636 122.820 -0.058 0.000 1.970 502 A HA -0.049 4.273 4.320 0.003 0.000 0.216 502 A C 2.346 179.861 177.584 -0.114 0.000 1.170 502 A CA 1.120 53.051 52.037 -0.176 0.000 0.645 502 A CB -1.000 18.007 19.000 0.013 0.000 0.816 502 A HN 0.608 nan 8.150 nan 0.000 0.447 503 L N -0.299 120.905 121.223 -0.031 0.000 1.943 503 L HA -0.180 4.161 4.340 0.003 0.000 0.215 503 L C 2.657 179.487 176.870 -0.067 0.000 1.074 503 L CA 2.194 57.015 54.840 -0.032 0.000 0.759 503 L CB -1.226 40.807 42.059 -0.043 0.000 0.888 503 L HN 0.441 nan 8.230 nan 0.000 0.433 504 G N 0.167 108.912 108.800 -0.091 0.000 2.574 504 G HA2 -0.350 3.612 3.960 0.003 0.000 0.220 504 G HA3 -0.350 3.612 3.960 0.003 0.000 0.220 504 G C 1.542 176.419 174.900 -0.038 0.000 1.173 504 G CA 1.416 46.476 45.100 -0.067 0.000 0.772 504 G HN 0.470 nan 8.290 nan 0.000 0.585 505 I N 0.357 120.837 120.570 -0.149 0.000 2.118 505 I HA -0.215 3.957 4.170 0.003 0.000 0.241 505 I C 2.686 178.764 176.117 -0.065 0.000 1.070 505 I CA 1.255 62.450 61.300 -0.174 0.000 1.327 505 I CB -0.183 37.540 38.000 -0.461 0.000 1.034 505 I HN 0.190 nan 8.210 nan 0.000 0.405 506 I N -0.406 120.132 120.570 -0.053 0.000 2.400 506 I HA -0.206 3.966 4.170 0.003 0.000 0.248 506 I C 2.464 178.645 176.117 0.107 0.000 1.109 506 I CA 0.781 62.106 61.300 0.041 0.000 1.425 506 I CB -0.436 37.568 38.000 0.007 0.000 1.094 506 I HN 0.210 nan 8.210 nan 0.000 0.425 507 Q N 0.897 120.733 119.800 0.060 0.000 2.248 507 Q HA -0.221 4.121 4.340 0.003 0.000 0.208 507 Q C 2.253 178.322 176.000 0.114 0.000 0.984 507 Q CA 1.677 57.520 55.803 0.066 0.000 0.875 507 Q CB -0.341 28.417 28.738 0.033 0.000 0.910 507 Q HN 0.606 nan 8.270 nan 0.000 0.433 508 A N 0.522 123.438 122.820 0.160 0.000 2.209 508 A HA -0.104 4.217 4.320 0.003 0.000 0.212 508 A C 0.404 178.100 177.584 0.187 0.000 1.158 508 A CA 0.222 52.395 52.037 0.226 0.000 0.742 508 A CB -0.076 19.091 19.000 0.278 0.000 0.790 508 A HN 0.445 nan 8.150 nan 0.000 0.472 509 Q N -1.425 118.436 119.800 0.101 0.000 2.459 509 Q HA -0.126 4.216 4.340 0.003 0.000 0.322 509 Q C -2.347 173.633 176.000 -0.035 0.000 1.427 509 Q CA 0.344 56.073 55.803 -0.123 0.000 0.861 509 Q CB -1.794 26.830 28.738 -0.189 0.000 1.137 509 Q HN 0.501 nan 8.270 nan 0.000 0.394 510 P HA 0.014 nan 4.420 nan 0.000 0.274 510 P C 0.156 177.538 177.300 0.137 0.000 1.246 510 P CA 0.263 63.429 63.100 0.110 0.000 0.795 510 P CB 0.617 32.391 31.700 0.123 0.000 1.006 511 D N -1.893 118.560 120.400 0.088 0.000 2.510 511 D HA 0.057 4.699 4.640 0.003 0.000 0.234 511 D C -0.123 176.176 176.300 -0.003 0.000 1.178 511 D CA 0.307 54.347 54.000 0.067 0.000 0.816 511 D CB 0.217 41.054 40.800 0.063 0.000 1.143 511 D HN 0.362 nan 8.370 nan 0.000 0.526 512 Q N -0.256 119.564 119.800 0.033 0.000 2.379 512 Q HA 0.694 5.035 4.340 0.003 0.000 0.278 512 Q C -1.412 174.637 176.000 0.081 0.000 1.068 512 Q CA -0.891 54.926 55.803 0.024 0.000 0.816 512 Q CB 2.785 31.536 28.738 0.021 0.000 1.387 512 Q HN 0.000 nan 8.270 nan 0.000 0.413 513 S N -0.054 115.693 115.700 0.079 0.000 2.550 513 S HA 0.230 4.702 4.470 0.003 0.000 0.270 513 S C -0.339 174.324 174.600 0.105 0.000 1.145 513 S CA -0.456 57.845 58.200 0.169 0.000 0.852 513 S CB 1.793 65.145 63.200 0.254 0.000 1.119 513 S HN 0.742 nan 8.310 nan 0.000 0.465 514 E N 1.083 121.345 120.200 0.103 0.000 2.208 514 E HA 0.058 4.410 4.350 0.003 0.000 0.193 514 E C 0.265 176.905 176.600 0.068 0.000 0.988 514 E CA 0.480 56.907 56.400 0.046 0.000 0.828 514 E CB 0.196 29.891 29.700 -0.008 0.000 0.763 514 E HN 0.416 nan 8.360 nan 0.000 0.478 515 S N 0.042 115.818 115.700 0.127 0.000 2.545 515 S HA 0.025 4.497 4.470 0.003 0.000 0.275 515 S C 0.706 175.323 174.600 0.028 0.000 1.299 515 S CA -0.444 57.810 58.200 0.091 0.000 1.048 515 S CB 1.184 64.464 63.200 0.134 0.000 0.938 515 S HN 0.086 nan 8.310 nan 0.000 0.496 516 E N 3.312 123.510 120.200 -0.002 0.000 2.358 516 E HA -0.004 4.348 4.350 0.003 0.000 0.195 516 E C 1.460 178.000 176.600 -0.100 0.000 1.010 516 E CA 0.571 56.945 56.400 -0.043 0.000 0.856 516 E CB -0.134 29.545 29.700 -0.036 0.000 0.795 516 E HN 0.588 nan 8.360 nan 0.000 0.504 517 L N -0.312 120.858 121.223 -0.087 0.000 2.044 517 L HA -0.043 4.299 4.340 0.003 0.000 0.205 517 L C 2.027 178.779 176.870 -0.198 0.000 1.075 517 L CA 1.349 56.095 54.840 -0.157 0.000 0.747 517 L CB -0.746 41.277 42.059 -0.059 0.000 0.903 517 L HN 0.079 nan 8.230 nan 0.000 0.435 518 V N -0.274 119.570 119.914 -0.117 0.000 2.626 518 V HA -0.247 3.874 4.120 0.003 0.000 0.252 518 V C 2.099 178.115 176.094 -0.131 0.000 1.067 518 V CA 1.830 64.046 62.300 -0.141 0.000 1.081 518 V CB -1.033 30.696 31.823 -0.157 0.000 0.686 518 V HN 0.517 nan 8.190 nan 0.000 0.468 519 N N -0.072 118.559 118.700 -0.114 0.000 2.354 519 N HA -0.129 4.612 4.740 0.003 0.000 0.179 519 N C 1.931 177.344 175.510 -0.162 0.000 1.021 519 N CA 0.758 53.743 53.050 -0.109 0.000 0.887 519 N CB 0.022 38.462 38.487 -0.079 0.000 0.974 519 N HN 0.635 nan 8.380 nan 0.000 0.437 520 Q N 0.391 120.030 119.800 -0.268 0.000 2.163 520 Q HA 0.004 4.346 4.340 0.003 0.000 0.198 520 Q C 1.861 177.678 176.000 -0.305 0.000 0.954 520 Q CA 0.697 56.292 55.803 -0.348 0.000 0.851 520 Q CB -0.001 28.307 28.738 -0.717 0.000 0.928 520 Q HN 0.456 nan 8.270 nan 0.000 0.459 521 I N 1.101 121.473 120.570 -0.330 0.000 2.179 521 I HA -0.276 3.895 4.170 0.003 0.000 0.242 521 I C 2.332 178.348 176.117 -0.168 0.000 1.088 521 I CA 1.151 62.346 61.300 -0.175 0.000 1.357 521 I CB -0.241 37.666 38.000 -0.155 0.000 1.051 521 I HN 0.118 nan 8.210 nan 0.000 0.409 522 I N 0.822 121.294 120.570 -0.162 0.000 2.163 522 I HA -0.355 3.817 4.170 0.003 0.000 0.243 522 I C 2.655 178.687 176.117 -0.142 0.000 1.085 522 I CA 1.756 62.968 61.300 -0.147 0.000 1.347 522 I CB -0.369 37.615 38.000 -0.027 0.000 1.044 522 I HN 0.287 nan 8.210 nan 0.000 0.408 523 E N 0.340 120.478 120.200 -0.105 0.000 2.070 523 E HA -0.307 4.044 4.350 0.003 0.000 0.197 523 E C 2.196 178.765 176.600 -0.051 0.000 1.004 523 E CA 1.430 57.788 56.400 -0.071 0.000 0.805 523 E CB 0.029 29.694 29.700 -0.060 0.000 0.744 523 E HN 0.412 nan 8.360 nan 0.000 0.451 524 Q N 0.397 120.170 119.800 -0.044 0.000 1.942 524 Q HA -0.165 4.177 4.340 0.003 0.000 0.203 524 Q C 2.618 178.554 176.000 -0.107 0.000 0.987 524 Q CA 1.546 57.331 55.803 -0.030 0.000 0.844 524 Q CB -0.636 28.122 28.738 0.034 0.000 0.911 524 Q HN 0.400 nan 8.270 nan 0.000 0.423 525 L N 0.471 121.557 121.223 -0.227 0.000 2.137 525 L HA -0.231 4.111 4.340 0.003 0.000 0.213 525 L C 2.394 179.119 176.870 -0.242 0.000 1.085 525 L CA 1.020 55.640 54.840 -0.366 0.000 0.760 525 L CB -0.612 40.927 42.059 -0.866 0.000 0.893 525 L HN 0.183 nan 8.230 nan 0.000 0.434 526 I N -0.667 119.816 120.570 -0.145 0.000 2.493 526 I HA -0.232 3.940 4.170 0.003 0.000 0.254 526 I C 2.401 178.562 176.117 0.074 0.000 1.160 526 I CA 1.156 62.501 61.300 0.075 0.000 1.445 526 I CB -0.268 37.821 38.000 0.149 0.000 1.086 526 I HN 0.265 nan 8.210 nan 0.000 0.433 527 K N 0.744 121.154 120.400 0.017 0.000 2.067 527 K HA 0.022 4.344 4.320 0.003 0.000 0.203 527 K C 0.683 177.293 176.600 0.017 0.000 1.048 527 K CA 0.304 56.605 56.287 0.024 0.000 0.954 527 K CB -0.105 32.400 32.500 0.008 0.000 0.737 527 K HN 0.134 nan 8.250 nan 0.000 0.444 528 K N 1.826 122.220 120.400 -0.010 0.000 2.580 528 K HA -0.121 4.201 4.320 0.003 0.000 0.278 528 K C 0.959 177.570 176.600 0.019 0.000 0.960 528 K CA 0.612 56.892 56.287 -0.011 0.000 0.988 528 K CB 0.520 32.997 32.500 -0.039 0.000 0.887 528 K HN 0.256 nan 8.250 nan 0.000 0.509 529 E N 1.316 121.528 120.200 0.020 0.000 2.166 529 E HA -0.026 4.326 4.350 0.003 0.000 0.192 529 E C -0.395 176.228 176.600 0.039 0.000 0.967 529 E CA 0.836 57.255 56.400 0.032 0.000 0.840 529 E CB 0.499 30.215 29.700 0.026 0.000 0.795 529 E HN 0.340 nan 8.360 nan 0.000 0.470 530 K N 0.470 120.890 120.400 0.032 0.000 2.553 530 K HA 0.407 4.729 4.320 0.003 0.000 0.250 530 K C -1.506 175.118 176.600 0.040 0.000 0.953 530 K CA -0.484 55.831 56.287 0.046 0.000 0.800 530 K CB 2.934 35.463 32.500 0.048 0.000 1.243 530 K HN -0.192 nan 8.250 nan 0.000 0.435 531 V N 3.284 123.231 119.914 0.055 0.000 2.525 531 V HA 0.299 4.421 4.120 0.003 0.000 0.299 531 V C -1.423 174.720 176.094 0.083 0.000 1.034 531 V CA -0.919 61.404 62.300 0.039 0.000 0.863 531 V CB 1.396 33.209 31.823 -0.016 0.000 0.999 531 V HN 0.728 nan 8.190 nan 0.000 0.423 532 Y N 5.915 126.208 120.300 -0.012 0.000 2.377 532 Y HA 0.823 5.375 4.550 0.003 0.000 0.339 532 Y C -1.033 174.861 175.900 -0.011 0.000 1.011 532 Y CA -0.960 57.139 58.100 -0.001 0.000 1.093 532 Y CB 1.796 40.255 38.460 -0.001 0.000 1.201 532 Y HN 0.594 nan 8.280 nan 0.000 0.455 533 L N 5.782 126.648 121.223 -0.595 0.000 2.438 533 L HA 0.926 5.268 4.340 0.003 0.000 0.270 533 L C -1.591 175.002 176.870 -0.460 0.000 0.972 533 L CA -0.415 54.232 54.840 -0.322 0.000 0.831 533 L CB 1.441 43.393 42.059 -0.178 0.000 1.273 533 L HN 0.766 nan 8.230 nan 0.000 0.405 534 A N 3.606 126.337 122.820 -0.148 0.000 2.532 534 A HA 0.856 5.178 4.320 0.003 0.000 0.290 534 A C -2.197 175.472 177.584 0.141 0.000 1.143 534 A CA -0.556 51.489 52.037 0.013 0.000 0.728 534 A CB 1.130 20.267 19.000 0.229 0.000 1.317 534 A HN 0.871 nan 8.150 nan 0.000 0.414 535 W N 0.342 121.635 121.300 -0.012 0.000 2.882 535 W HA 0.661 5.323 4.660 0.003 0.000 0.345 535 W C -1.186 175.348 176.519 0.025 0.000 1.125 535 W CA -0.309 57.037 57.345 0.001 0.000 1.167 535 W CB 1.899 31.354 29.460 -0.009 0.000 1.431 535 W HN 1.136 nan 8.180 nan 0.000 0.543 536 V N 1.158 120.364 119.914 -1.181 0.000 3.178 536 V HA 0.689 4.811 4.120 0.003 0.000 0.302 536 V C -2.923 172.075 176.094 -1.825 0.000 1.262 536 V CA -2.762 58.842 62.300 -1.161 0.000 1.030 536 V CB 1.455 33.003 31.823 -0.459 0.000 1.074 536 V HN 0.457 nan 8.190 nan 0.000 0.438 537 P HA 0.510 nan 4.420 nan 0.000 0.272 537 P C -0.490 176.588 177.300 -0.371 0.000 1.223 537 P CA 0.392 63.111 63.100 -0.636 0.000 0.784 537 P CB 0.878 32.438 31.700 -0.234 0.000 0.923 538 A N 1.177 123.867 122.820 -0.217 0.000 2.299 538 A HA 0.488 4.810 4.320 0.003 0.000 0.332 538 A C -0.219 177.350 177.584 -0.025 0.000 1.131 538 A CA -0.539 51.410 52.037 -0.146 0.000 0.844 538 A CB -0.128 18.728 19.000 -0.239 0.000 1.251 538 A HN 0.830 nan 8.150 nan 0.000 0.486 539 H N -0.674 118.382 119.070 -0.023 0.000 2.839 539 H HA -0.103 4.455 4.556 0.003 0.000 0.298 539 H C -0.768 174.551 175.328 -0.015 0.000 1.224 539 H CA 0.870 56.911 56.048 -0.011 0.000 1.144 539 H CB -1.185 28.579 29.762 0.003 0.000 1.372 539 H HN 0.460 nan 8.280 nan 0.000 0.408 540 K N 0.558 121.008 120.400 0.084 0.000 2.668 540 K HA 0.200 4.522 4.320 0.003 0.000 0.246 540 K C 0.417 177.024 176.600 0.011 0.000 0.976 540 K CA -0.113 56.192 56.287 0.030 0.000 0.902 540 K CB 1.903 34.403 32.500 -0.000 0.000 1.172 540 K HN 0.335 nan 8.250 nan 0.000 0.452 541 G N 4.321 113.125 108.800 0.007 0.000 2.452 541 G HA2 -0.014 3.948 3.960 0.003 0.000 0.290 541 G HA3 -0.014 3.948 3.960 0.003 0.000 0.290 541 G C 0.113 175.006 174.900 -0.012 0.000 0.717 541 G CA 0.383 45.479 45.100 -0.007 0.000 1.967 541 G HN 0.510 nan 8.290 nan 0.000 0.471 542 I N 1.161 121.724 120.570 -0.012 0.000 2.569 542 I HA 0.467 4.639 4.170 0.003 0.000 0.296 542 I C 1.402 177.513 176.117 -0.010 0.000 1.028 542 I CA -0.478 60.819 61.300 -0.004 0.000 1.082 542 I CB 1.794 39.790 38.000 -0.007 0.000 1.264 542 I HN 0.602 nan 8.210 nan 0.000 0.429 543 G N 3.821 112.611 108.800 -0.016 0.000 2.572 543 G HA2 -0.325 3.637 3.960 0.003 0.000 0.547 543 G HA3 -0.325 3.637 3.960 0.003 0.000 0.547 543 G C 0.958 175.639 174.900 -0.364 0.000 1.354 543 G CA 0.654 45.654 45.100 -0.166 0.000 0.935 543 G HN 1.019 nan 8.290 nan 0.000 0.528 544 G N 0.158 108.429 108.800 -0.883 0.000 3.262 544 G HA2 0.090 4.052 3.960 0.003 0.000 0.228 544 G HA3 0.090 4.052 3.960 0.003 0.000 0.228 544 G C 1.279 176.064 174.900 -0.192 0.000 1.197 544 G CA 1.084 45.837 45.100 -0.578 0.000 0.819 544 G HN 0.775 nan 8.290 nan 0.000 0.531 545 N N 1.693 120.373 118.700 -0.033 0.000 2.043 545 N HA -0.154 4.588 4.740 0.003 0.000 0.193 545 N C 2.078 177.612 175.510 0.041 0.000 1.037 545 N CA 1.751 54.857 53.050 0.092 0.000 0.851 545 N CB 0.002 38.537 38.487 0.081 0.000 1.027 545 N HN 0.607 nan 8.380 nan 0.000 0.422 546 E N 0.107 120.306 120.200 -0.000 0.000 2.204 546 E HA -0.180 4.172 4.350 0.003 0.000 0.194 546 E C 1.958 178.548 176.600 -0.017 0.000 0.989 546 E CA 0.846 57.244 56.400 -0.004 0.000 0.824 546 E CB -0.241 29.445 29.700 -0.023 0.000 0.756 546 E HN 0.368 nan 8.360 nan 0.000 0.477 547 Q N 0.674 120.450 119.800 -0.041 0.000 2.119 547 Q HA -0.082 4.260 4.340 0.003 0.000 0.201 547 Q C 2.226 178.221 176.000 -0.008 0.000 0.972 547 Q CA 1.639 57.416 55.803 -0.044 0.000 0.847 547 Q CB 0.135 28.819 28.738 -0.090 0.000 0.903 547 Q HN 0.341 nan 8.270 nan 0.000 0.433 548 V N -0.907 119.023 119.914 0.027 0.000 2.951 548 V HA -0.094 4.028 4.120 0.003 0.000 0.255 548 V C 1.270 177.392 176.094 0.048 0.000 1.088 548 V CA 1.413 63.747 62.300 0.057 0.000 1.109 548 V CB -0.422 31.471 31.823 0.116 0.000 0.724 548 V HN 0.206 nan 8.190 nan 0.000 0.471 549 D N 1.535 121.962 120.400 0.045 0.000 2.084 549 D HA -0.169 4.472 4.640 0.003 0.000 0.196 549 D C 2.149 178.456 176.300 0.013 0.000 0.985 549 D CA 1.647 55.675 54.000 0.045 0.000 0.826 549 D CB -0.020 40.807 40.800 0.045 0.000 0.978 549 D HN 0.598 nan 8.370 nan 0.000 0.456 550 K N -0.044 120.353 120.400 -0.006 0.000 2.097 550 K HA -0.121 4.201 4.320 0.003 0.000 0.206 550 K C 1.938 178.531 176.600 -0.011 0.000 1.049 550 K CA 0.819 57.096 56.287 -0.017 0.000 0.933 550 K CB -0.480 32.005 32.500 -0.024 0.000 0.717 550 K HN 0.087 nan 8.250 nan 0.000 0.442 551 L N 1.390 122.609 121.223 -0.007 0.000 1.970 551 L HA -0.168 4.174 4.340 0.003 0.000 0.212 551 L C 2.476 179.343 176.870 -0.005 0.000 1.071 551 L CA 1.604 56.438 54.840 -0.011 0.000 0.751 551 L CB -0.426 41.625 42.059 -0.014 0.000 0.889 551 L HN 0.312 nan 8.230 nan 0.000 0.432 552 V N -5.321 114.600 119.914 0.011 0.000 2.951 552 V HA -0.031 4.090 4.120 0.003 0.000 0.255 552 V C 2.079 178.185 176.094 0.020 0.000 1.088 552 V CA 1.536 63.847 62.300 0.019 0.000 1.109 552 V CB -0.154 31.692 31.823 0.039 0.000 0.724 552 V HN 0.356 nan 8.190 nan 0.000 0.471 553 S N 1.213 116.922 115.700 0.015 0.000 2.414 553 S HA 0.344 4.816 4.470 0.003 0.000 0.227 553 S C 1.454 176.052 174.600 -0.002 0.000 1.022 553 S CA 0.616 58.821 58.200 0.007 0.000 0.958 553 S CB -0.450 62.745 63.200 -0.009 0.000 0.797 553 S HN 0.942 nan 8.310 nan 0.000 0.493 554 A N 1.291 124.107 122.820 -0.007 0.000 2.517 554 A HA 0.436 4.758 4.320 0.003 0.000 0.284 554 A C 1.510 179.090 177.584 -0.006 0.000 1.195 554 A CA 0.686 52.717 52.037 -0.010 0.000 0.873 554 A CB -1.282 17.710 19.000 -0.013 0.000 1.055 554 A HN 0.808 nan 8.150 nan 0.000 0.538 555 G N 1.737 110.534 108.800 -0.005 0.000 2.345 555 G HA2 -0.271 3.691 3.960 0.003 0.000 0.218 555 G HA3 -0.271 3.691 3.960 0.003 0.000 0.218 555 G C 0.858 175.759 174.900 0.002 0.000 1.058 555 G CA 0.294 45.392 45.100 -0.002 0.000 0.632 555 G HN 0.653 nan 8.290 nan 0.000 0.508 556 I N 1.971 122.544 120.570 0.005 0.000 2.286 556 I HA 0.205 4.377 4.170 0.003 0.000 0.245 556 I C 1.617 177.740 176.117 0.011 0.000 1.104 556 I CA 2.176 63.483 61.300 0.011 0.000 1.397 556 I CB -1.199 36.812 38.000 0.018 0.000 1.072 556 I HN 0.722 nan 8.210 nan 0.000 0.417 557 R N 0.000 120.504 120.500 0.006 0.000 2.786 557 R HA 0.000 4.342 4.340 0.003 0.000 0.208 557 R CA 0.000 56.101 56.100 0.002 0.000 0.921 557 R CB 0.000 30.308 30.300 0.013 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535