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 3lp0_1_A DATA FIRST_RESID 0 DATA SEQUENCE SPISPIETVP VKLKPGMDGP KVKQWPLTEE KIKALVEICT EMEKEGKISK DATA SEQUENCE IGPENPYNTP VFAIKXXXST KWRKLVDFRE LNKRTQDFWE VQLGIPHPAG DATA SEQUENCE LKKNKSVTVL DVGDAYFSVP LDEDFRKYTA FTIPSINNET PGIRYQYNVL DATA SEQUENCE PQGWKGSPAI FQSSMTKILE PFRKQNPDIV IYQYMDDLYV GSDLEIGQHR DATA SEQUENCE TKIEELRQHL LRWGLTTPDK KHQKEPPFLW MGYELHPDKW TVQPIVLPEK DATA SEQUENCE DSWTVNDIQK LVGKLNWASQ IYPGIKVRQL CKLLRGTKAL TEVIPLTEEA DATA SEQUENCE ELELAENREI LKEPVHGVYY DPSKDLIAEI QKQGQGQWTY QIYQEPFKNL DATA SEQUENCE KTGKYARMRG AHTNDVKQLT EAVQKITTES IVIWGKTPKF KLPIQKETWE DATA SEQUENCE TWWTEYWQAT WIPEWEFVNT PPLVKLWYQL EKEPIVGAET FYVDGAANRE DATA SEQUENCE TKLGKAGYVT NRGRQKVVTL TDTTNQKTEL QAIYLALQDS GLEVNIVTDS DATA SEQUENCE QYALGIIQAQ PDQSESELVN QIIEQLIKKE KVYLAWVPAH KGIGGNEQVD DATA SEQUENCE KLVSAGIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.634 174.600 0.056 0.000 1.055 0 S CA 0.000 58.224 58.200 0.039 0.000 1.107 0 S CB 0.000 63.226 63.200 0.044 0.000 0.593 1 P HA 0.266 nan 4.420 nan 0.000 0.267 1 P C 0.194 177.551 177.300 0.095 0.000 1.195 1 P CA -0.342 62.796 63.100 0.063 0.000 0.773 1 P CB 0.399 32.133 31.700 0.056 0.000 0.837 2 I N -0.520 120.104 120.570 0.091 0.000 3.936 2 I HA 0.109 4.277 4.170 -0.003 0.000 0.330 2 I C 0.315 176.505 176.117 0.121 0.000 1.509 2 I CA -0.086 61.284 61.300 0.117 0.000 1.126 2 I CB -1.019 37.044 38.000 0.105 0.000 1.115 2 I HN 0.380 nan 8.210 nan 0.000 0.424 3 S N 3.612 119.382 115.700 0.117 0.000 3.285 3 S HA -0.086 4.382 4.470 -0.003 0.000 0.852 3 S C -1.893 172.794 174.600 0.145 0.000 1.066 3 S CA -0.308 57.981 58.200 0.148 0.000 1.184 3 S CB 0.236 63.548 63.200 0.187 0.000 0.953 3 S HN 0.351 nan 8.310 nan 0.000 0.299 4 P HA 0.228 nan 4.420 nan 0.000 0.243 4 P C 0.210 177.652 177.300 0.237 0.000 1.668 4 P CA -0.287 62.870 63.100 0.096 0.000 0.898 4 P CB -0.423 31.227 31.700 -0.083 0.000 1.637 5 I N -0.800 119.937 120.570 0.278 0.000 2.823 5 I HA 0.206 4.374 4.170 -0.003 0.000 0.290 5 I C 1.210 177.431 176.117 0.173 0.000 1.091 5 I CA -0.714 60.749 61.300 0.271 0.000 1.365 5 I CB -0.023 38.072 38.000 0.159 0.000 1.427 5 I HN 0.014 nan 8.210 nan 0.000 0.583 6 E N 1.935 122.222 120.200 0.145 0.000 2.458 6 E HA -0.015 4.333 4.350 -0.003 0.000 0.264 6 E C -0.308 176.343 176.600 0.085 0.000 1.097 6 E CA 0.470 56.930 56.400 0.099 0.000 0.973 6 E CB 0.684 30.429 29.700 0.075 0.000 0.963 6 E HN 0.544 nan 8.360 nan 0.000 0.451 7 T N 0.637 115.239 114.554 0.080 0.000 2.929 7 T HA 0.357 4.705 4.350 -0.003 0.000 0.284 7 T C -0.741 174.005 174.700 0.077 0.000 1.014 7 T CA -0.693 61.456 62.100 0.083 0.000 1.051 7 T CB 0.928 69.849 68.868 0.089 0.000 1.028 7 T HN 0.102 nan 8.240 nan 0.000 0.485 8 V N 6.992 126.957 119.914 0.085 0.000 2.350 8 V HA 0.352 4.470 4.120 -0.003 0.000 0.276 8 V C -1.954 174.204 176.094 0.106 0.000 1.028 8 V CA -1.857 60.497 62.300 0.090 0.000 0.860 8 V CB 1.141 33.022 31.823 0.097 0.000 0.990 8 V HN 0.751 nan 8.190 nan 0.000 0.453 9 P HA 0.109 nan 4.420 nan 0.000 0.264 9 P C -0.507 176.845 177.300 0.087 0.000 1.236 9 P CA 0.279 63.434 63.100 0.092 0.000 0.811 9 P CB 0.626 32.367 31.700 0.069 0.000 0.840 10 V N 5.142 125.114 119.914 0.097 0.000 2.472 10 V HA 0.372 4.490 4.120 -0.003 0.000 0.290 10 V C 0.727 176.882 176.094 0.101 0.000 1.037 10 V CA -0.360 61.950 62.300 0.018 0.000 0.908 10 V CB 1.732 33.437 31.823 -0.196 0.000 0.985 10 V HN 0.426 nan 8.190 nan 0.000 0.454 11 K N 3.164 123.586 120.400 0.037 0.000 2.279 11 K HA 0.773 5.091 4.320 -0.003 0.000 0.238 11 K C -1.328 175.346 176.600 0.124 0.000 1.084 11 K CA -0.949 55.410 56.287 0.119 0.000 0.885 11 K CB 1.964 34.485 32.500 0.035 0.000 1.319 11 K HN 0.364 nan 8.250 nan 0.000 0.494 12 L N 1.207 122.464 121.223 0.057 0.000 2.322 12 L HA 0.413 4.751 4.340 -0.003 0.000 0.269 12 L C -0.382 176.473 176.870 -0.025 0.000 1.012 12 L CA -0.994 53.848 54.840 0.004 0.000 0.815 12 L CB 1.511 43.486 42.059 -0.140 0.000 1.295 12 L HN 0.377 nan 8.230 nan 0.000 0.438 13 K N 2.483 122.867 120.400 -0.026 0.000 2.430 13 K HA 0.080 4.398 4.320 -0.003 0.000 0.280 13 K C -2.271 174.319 176.600 -0.017 0.000 1.063 13 K CA -1.312 54.957 56.287 -0.029 0.000 1.071 13 K CB -0.201 32.286 32.500 -0.021 0.000 0.899 13 K HN 0.206 nan 8.250 nan 0.000 0.473 14 P HA -0.231 nan 4.420 nan 0.000 0.263 14 P C 0.904 178.207 177.300 0.005 0.000 1.145 14 P CA 1.460 64.558 63.100 -0.003 0.000 0.755 14 P CB 0.392 32.088 31.700 -0.006 0.000 0.746 15 G N 2.192 111.000 108.800 0.014 0.000 2.363 15 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.238 15 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.238 15 G C 0.216 175.133 174.900 0.027 0.000 1.062 15 G CA 0.162 45.275 45.100 0.021 0.000 0.629 15 G HN 0.508 nan 8.290 nan 0.000 0.514 16 M N 1.303 120.914 119.600 0.018 0.000 2.233 16 M HA 0.511 4.989 4.480 -0.003 0.000 0.350 16 M C 0.079 176.392 176.300 0.021 0.000 1.176 16 M CA -0.283 55.029 55.300 0.021 0.000 1.150 16 M CB 0.968 33.574 32.600 0.010 0.000 1.530 16 M HN 0.256 nan 8.290 nan 0.000 0.459 17 D N 1.080 121.512 120.400 0.054 0.000 2.332 17 D HA 0.495 5.133 4.640 -0.003 0.000 0.252 17 D C 0.113 176.440 176.300 0.045 0.000 1.050 17 D CA -0.053 54.008 54.000 0.101 0.000 0.970 17 D CB 1.264 42.181 40.800 0.195 0.000 1.141 17 D HN 0.643 nan 8.370 nan 0.000 0.485 18 G N 0.544 109.335 108.800 -0.016 0.000 2.732 18 G HA2 0.272 4.230 3.960 -0.003 0.000 0.244 18 G HA3 0.272 4.230 3.960 -0.003 0.000 0.244 18 G C -2.208 172.735 174.900 0.072 0.000 1.226 18 G CA -0.774 44.166 45.100 -0.266 0.000 0.860 18 G HN 0.458 nan 8.290 nan 0.000 0.583 19 P HA 0.290 nan 4.420 nan 0.000 0.275 19 P C -0.776 176.699 177.300 0.291 0.000 1.228 19 P CA -0.236 62.969 63.100 0.176 0.000 0.786 19 P CB 1.278 33.070 31.700 0.154 0.000 0.927 20 K N 1.150 121.680 120.400 0.217 0.000 3.165 20 K HA 0.230 4.548 4.320 -0.003 0.000 0.206 20 K C -0.340 176.338 176.600 0.130 0.000 1.123 20 K CA -0.450 55.948 56.287 0.185 0.000 0.978 20 K CB 1.047 33.638 32.500 0.151 0.000 0.749 20 K HN 0.211 nan 8.250 nan 0.000 0.454 21 V N 2.123 122.115 119.914 0.131 0.000 2.488 21 V HA 0.160 4.278 4.120 -0.003 0.000 0.277 21 V C -0.084 176.078 176.094 0.112 0.000 1.046 21 V CA -0.445 61.921 62.300 0.109 0.000 0.986 21 V CB 0.261 32.143 31.823 0.098 0.000 0.989 21 V HN 0.431 nan 8.190 nan 0.000 0.475 22 K N 4.652 125.117 120.400 0.109 0.000 2.436 22 K HA 0.226 4.544 4.320 -0.003 0.000 0.275 22 K C -0.155 176.531 176.600 0.144 0.000 0.999 22 K CA -0.185 56.170 56.287 0.112 0.000 0.980 22 K CB 0.519 33.084 32.500 0.109 0.000 0.919 22 K HN 0.709 nan 8.250 nan 0.000 0.484 23 Q N 3.588 123.465 119.800 0.128 0.000 2.295 23 Q HA 0.038 4.376 4.340 -0.003 0.000 0.259 23 Q C -1.323 174.786 176.000 0.183 0.000 0.976 23 Q CA -0.337 55.559 55.803 0.155 0.000 0.923 23 Q CB 0.585 29.394 28.738 0.118 0.000 1.185 23 Q HN 0.718 nan 8.270 nan 0.000 0.410 24 W N 6.897 128.224 121.300 0.045 0.000 2.210 24 W HA 0.246 4.904 4.660 -0.003 0.000 0.330 24 W C -2.332 174.219 176.519 0.054 0.000 1.334 24 W CA -1.902 55.468 57.345 0.042 0.000 1.227 24 W CB 0.802 30.283 29.460 0.036 0.000 1.178 24 W HN 0.567 nan 8.180 nan 0.000 0.560 25 P HA 0.040 nan 4.420 nan 0.000 0.271 25 P C -0.482 176.781 177.300 -0.062 0.000 1.216 25 P CA -0.034 62.909 63.100 -0.262 0.000 0.771 25 P CB 0.629 32.091 31.700 -0.397 0.000 0.864 26 L N 1.804 123.051 121.223 0.040 0.000 2.335 26 L HA 0.499 4.837 4.340 -0.003 0.000 0.268 26 L C 1.260 178.148 176.870 0.029 0.000 1.016 26 L CA -0.528 54.375 54.840 0.105 0.000 0.805 26 L CB 0.238 42.350 42.059 0.088 0.000 1.311 26 L HN 0.368 nan 8.230 nan 0.000 0.456 27 T N -2.977 111.594 114.554 0.028 0.000 2.766 27 T HA 0.171 4.519 4.350 -0.003 0.000 0.295 27 T C 1.006 175.669 174.700 -0.062 0.000 1.024 27 T CA -0.445 61.653 62.100 -0.004 0.000 1.018 27 T CB 0.868 69.748 68.868 0.021 0.000 1.002 27 T HN 0.547 nan 8.240 nan 0.000 0.532 28 E N 0.712 120.882 120.200 -0.050 0.000 2.072 28 E HA -0.171 4.177 4.350 -0.003 0.000 0.191 28 E C 2.199 178.731 176.600 -0.113 0.000 0.985 28 E CA 1.524 57.884 56.400 -0.067 0.000 0.801 28 E CB -0.093 29.585 29.700 -0.036 0.000 0.750 28 E HN 0.948 nan 8.360 nan 0.000 0.452 29 E N 1.703 121.836 120.200 -0.112 0.000 2.110 29 E HA -0.181 4.167 4.350 -0.003 0.000 0.193 29 E C 1.873 178.161 176.600 -0.520 0.000 0.988 29 E CA 0.966 57.260 56.400 -0.178 0.000 0.804 29 E CB -0.149 29.560 29.700 0.015 0.000 0.745 29 E HN 0.069 nan 8.360 nan 0.000 0.458 30 K N 0.602 120.678 120.400 -0.541 0.000 2.057 30 K HA -0.030 4.288 4.320 -0.003 0.000 0.206 30 K C 2.186 178.516 176.600 -0.451 0.000 1.050 30 K CA 1.379 57.239 56.287 -0.713 0.000 0.935 30 K CB -0.111 32.111 32.500 -0.462 0.000 0.715 30 K HN 0.162 nan 8.250 nan 0.000 0.439 31 I N 1.177 121.592 120.570 -0.258 0.000 2.286 31 I HA -0.288 3.880 4.170 -0.003 0.000 0.248 31 I C 2.515 178.535 176.117 -0.161 0.000 1.115 31 I CA 1.142 62.348 61.300 -0.157 0.000 1.392 31 I CB -0.158 37.788 38.000 -0.091 0.000 1.065 31 I HN 0.163 nan 8.210 nan 0.000 0.418 32 K N 1.416 121.703 120.400 -0.188 0.000 2.002 32 K HA -0.204 4.114 4.320 -0.003 0.000 0.209 32 K C 2.254 178.740 176.600 -0.190 0.000 1.048 32 K CA 1.629 57.825 56.287 -0.152 0.000 0.930 32 K CB -0.180 32.244 32.500 -0.126 0.000 0.714 32 K HN 0.261 nan 8.250 nan 0.000 0.438 33 A N 1.446 124.057 122.820 -0.349 0.000 1.917 33 A HA -0.170 4.148 4.320 -0.003 0.000 0.219 33 A C 2.159 179.606 177.584 -0.227 0.000 1.182 33 A CA 1.538 53.347 52.037 -0.380 0.000 0.633 33 A CB -0.708 17.711 19.000 -0.968 0.000 0.819 33 A HN 0.364 nan 8.150 nan 0.000 0.448 34 L N -0.671 120.417 121.223 -0.224 0.000 2.046 34 L HA -0.165 4.172 4.340 -0.003 0.000 0.208 34 L C 2.547 179.382 176.870 -0.059 0.000 1.077 34 L CA 1.122 55.896 54.840 -0.110 0.000 0.747 34 L CB -0.567 41.452 42.059 -0.066 0.000 0.896 34 L HN 0.268 nan 8.230 nan 0.000 0.432 35 V N -0.257 119.625 119.914 -0.054 0.000 2.295 35 V HA -0.288 3.830 4.120 -0.003 0.000 0.246 35 V C 2.380 178.453 176.094 -0.035 0.000 1.049 35 V CA 1.818 64.106 62.300 -0.020 0.000 1.024 35 V CB -0.434 31.381 31.823 -0.013 0.000 0.648 35 V HN 0.387 nan 8.190 nan 0.000 0.447 36 E N 0.053 120.225 120.200 -0.047 0.000 2.070 36 E HA -0.216 4.132 4.350 -0.003 0.000 0.197 36 E C 2.036 178.608 176.600 -0.047 0.000 1.004 36 E CA 1.785 58.163 56.400 -0.037 0.000 0.805 36 E CB -0.283 29.402 29.700 -0.025 0.000 0.744 36 E HN 0.581 nan 8.360 nan 0.000 0.451 37 I N -0.207 120.329 120.570 -0.056 0.000 2.142 37 I HA -0.332 3.836 4.170 -0.003 0.000 0.240 37 I C 2.269 178.314 176.117 -0.120 0.000 1.078 37 I CA 0.777 62.034 61.300 -0.071 0.000 1.343 37 I CB -0.235 37.732 38.000 -0.056 0.000 1.046 37 I HN 0.269 nan 8.210 nan 0.000 0.405 38 C N 0.551 119.764 119.300 -0.144 0.000 2.425 38 C HA -0.146 4.312 4.460 -0.003 0.000 0.277 38 C C 3.153 177.957 174.990 -0.310 0.000 1.280 38 C CA 1.710 60.550 59.018 -0.297 0.000 1.744 38 C CB -1.291 26.223 27.740 -0.376 0.000 1.989 38 C HN 0.633 nan 8.230 nan 0.000 0.491 39 T N -0.567 113.905 114.554 -0.137 0.000 2.867 39 T HA -0.182 4.166 4.350 -0.003 0.000 0.268 39 T C 1.515 176.177 174.700 -0.065 0.000 1.057 39 T CA 1.775 63.843 62.100 -0.052 0.000 1.136 39 T CB -0.324 68.545 68.868 0.002 0.000 0.874 39 T HN 0.552 nan 8.240 nan 0.000 0.466 40 E N 1.395 121.548 120.200 -0.079 0.000 2.051 40 E HA -0.039 4.309 4.350 -0.003 0.000 0.192 40 E C 2.178 178.719 176.600 -0.099 0.000 0.991 40 E CA 1.261 57.617 56.400 -0.074 0.000 0.799 40 E CB -0.538 29.120 29.700 -0.069 0.000 0.748 40 E HN 0.566 nan 8.360 nan 0.000 0.449 41 M N 0.177 119.686 119.600 -0.151 0.000 2.229 41 M HA -0.105 4.373 4.480 -0.003 0.000 0.264 41 M C 2.318 178.534 176.300 -0.140 0.000 1.063 41 M CA 1.406 56.596 55.300 -0.183 0.000 1.114 41 M CB -0.151 32.294 32.600 -0.259 0.000 1.387 41 M HN 0.191 nan 8.290 nan 0.000 0.420 42 E N 0.653 120.773 120.200 -0.134 0.000 2.077 42 E HA -0.205 4.143 4.350 -0.003 0.000 0.193 42 E C 1.682 178.276 176.600 -0.009 0.000 0.989 42 E CA 1.044 57.417 56.400 -0.044 0.000 0.800 42 E CB 0.203 29.927 29.700 0.039 0.000 0.746 42 E HN 0.270 nan 8.360 nan 0.000 0.452 43 K N 0.498 120.886 120.400 -0.020 0.000 2.283 43 K HA -0.097 4.221 4.320 -0.003 0.000 0.202 43 K C 1.695 178.288 176.600 -0.011 0.000 1.048 43 K CA 0.861 57.142 56.287 -0.010 0.000 0.948 43 K CB -0.002 32.491 32.500 -0.013 0.000 0.742 43 K HN 0.306 nan 8.250 nan 0.000 0.458 44 E N -0.758 119.428 120.200 -0.023 0.000 2.442 44 E HA 0.039 4.387 4.350 -0.003 0.000 0.195 44 E C 0.837 177.441 176.600 0.007 0.000 1.030 44 E CA 0.406 56.798 56.400 -0.014 0.000 0.869 44 E CB 0.320 29.999 29.700 -0.035 0.000 0.857 44 E HN 0.416 nan 8.360 nan 0.000 0.505 45 G N 1.565 110.371 108.800 0.009 0.000 2.175 45 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.244 45 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.244 45 G C 0.939 175.870 174.900 0.052 0.000 0.982 45 G CA 0.546 45.667 45.100 0.034 0.000 0.641 45 G HN 0.201 nan 8.290 nan 0.000 0.527 46 K N -0.078 120.337 120.400 0.025 0.000 2.057 46 K HA 0.197 4.515 4.320 -0.003 0.000 0.207 46 K C 1.418 178.031 176.600 0.021 0.000 1.049 46 K CA 1.599 57.919 56.287 0.055 0.000 0.931 46 K CB -0.056 32.409 32.500 -0.060 0.000 0.714 46 K HN 0.809 nan 8.250 nan 0.000 0.440 47 I N -3.440 117.090 120.570 -0.067 0.000 2.828 47 I HA 0.424 4.592 4.170 -0.003 0.000 0.302 47 I C -0.922 175.238 176.117 0.073 0.000 1.101 47 I CA -0.956 60.298 61.300 -0.076 0.000 1.031 47 I CB 2.608 40.447 38.000 -0.268 0.000 1.231 47 I HN -0.310 nan 8.210 nan 0.000 0.427 48 S N 2.113 117.907 115.700 0.156 0.000 2.548 48 S HA 0.476 4.944 4.470 -0.003 0.000 0.286 48 S C -0.749 173.895 174.600 0.074 0.000 1.098 48 S CA -0.926 57.361 58.200 0.145 0.000 0.930 48 S CB 2.006 65.241 63.200 0.058 0.000 1.070 48 S HN 0.520 nan 8.310 nan 0.000 0.480 49 K N 1.837 122.176 120.400 -0.102 0.000 2.326 49 K HA 0.472 4.790 4.320 -0.003 0.000 0.275 49 K C -0.050 176.404 176.600 -0.243 0.000 1.018 49 K CA 0.082 56.135 56.287 -0.390 0.000 0.962 49 K CB 0.211 32.495 32.500 -0.360 0.000 0.953 49 K HN 0.569 nan 8.250 nan 0.000 0.475 50 I N -2.425 117.974 120.570 -0.285 0.000 3.466 50 I HA 0.708 4.876 4.170 -0.003 0.000 0.311 50 I C -0.042 175.962 176.117 -0.189 0.000 1.155 50 I CA -1.272 59.918 61.300 -0.184 0.000 0.959 50 I CB 1.971 39.889 38.000 -0.137 0.000 1.332 50 I HN 0.536 nan 8.210 nan 0.000 0.483 51 G N -0.315 108.402 108.800 -0.139 0.000 2.714 51 G HA2 0.642 4.600 3.960 -0.003 0.000 0.292 51 G HA3 0.642 4.600 3.960 -0.003 0.000 0.292 51 G C -2.476 172.359 174.900 -0.108 0.000 1.308 51 G CA -1.511 43.514 45.100 -0.125 0.000 0.964 51 G HN 0.500 nan 8.290 nan 0.000 0.484 52 P HA -0.034 nan 4.420 nan 0.000 0.244 52 P C 1.158 178.405 177.300 -0.089 0.000 1.211 52 P CA 0.578 63.626 63.100 -0.086 0.000 0.760 52 P CB 0.287 31.942 31.700 -0.074 0.000 0.961 53 E N -0.233 119.914 120.200 -0.089 0.000 2.106 53 E HA -0.132 4.216 4.350 -0.003 0.000 0.192 53 E C 0.756 177.286 176.600 -0.116 0.000 0.984 53 E CA 0.523 56.868 56.400 -0.091 0.000 0.806 53 E CB -1.143 28.511 29.700 -0.077 0.000 0.750 53 E HN 0.153 nan 8.360 nan 0.000 0.458 54 N N 3.008 121.639 118.700 -0.115 0.000 2.431 54 N HA 0.010 4.748 4.740 -0.003 0.000 0.265 54 N C -1.671 173.730 175.510 -0.181 0.000 1.184 54 N CA -1.303 51.665 53.050 -0.136 0.000 0.943 54 N CB 1.282 39.721 38.487 -0.079 0.000 1.080 54 N HN -0.033 nan 8.380 nan 0.000 0.477 55 P HA 0.043 nan 4.420 nan 0.000 0.245 55 P C -0.586 176.520 177.300 -0.324 0.000 1.206 55 P CA 0.404 63.280 63.100 -0.374 0.000 0.781 55 P CB 0.079 31.474 31.700 -0.508 0.000 0.994 56 Y N 0.597 120.901 120.300 0.005 0.000 2.320 56 Y HA 0.471 5.019 4.550 -0.003 0.000 0.324 56 Y C 1.027 176.962 175.900 0.060 0.000 1.190 56 Y CA -0.741 57.387 58.100 0.047 0.000 1.215 56 Y CB 0.730 39.226 38.460 0.061 0.000 1.221 56 Y HN -0.125 nan 8.280 nan 0.000 0.486 57 N N 0.006 118.867 118.700 0.267 0.000 2.308 57 N HA 0.402 5.140 4.740 -0.003 0.000 0.283 57 N C -1.877 173.753 175.510 0.200 0.000 1.105 57 N CA -0.361 52.810 53.050 0.202 0.000 0.840 57 N CB 1.850 40.421 38.487 0.140 0.000 1.633 57 N HN 0.618 nan 8.380 nan 0.000 0.476 58 T N 3.099 117.771 114.554 0.198 0.000 2.848 58 T HA 0.472 4.820 4.350 -0.003 0.000 0.285 58 T C -2.648 172.107 174.700 0.092 0.000 0.995 58 T CA -0.946 61.223 62.100 0.115 0.000 0.970 58 T CB 2.093 70.986 68.868 0.042 0.000 0.976 58 T HN 0.396 nan 8.240 nan 0.000 0.441 59 P HA 0.262 nan 4.420 nan 0.000 0.269 59 P C -0.569 176.756 177.300 0.041 0.000 1.215 59 P CA -0.317 62.834 63.100 0.084 0.000 0.780 59 P CB 0.580 32.324 31.700 0.073 0.000 0.898 60 V N -1.262 118.722 119.914 0.117 0.000 3.046 60 V HA 0.800 4.918 4.120 -0.003 0.000 0.316 60 V C -0.803 175.440 176.094 0.249 0.000 1.104 60 V CA -0.788 61.572 62.300 0.101 0.000 1.006 60 V CB 1.963 33.843 31.823 0.095 0.000 1.058 60 V HN 0.478 nan 8.190 nan 0.000 0.440 61 F N 0.161 120.111 119.950 0.000 0.000 2.686 61 F HA 0.886 5.411 4.527 -0.004 0.000 0.311 61 F C -0.572 175.252 175.800 0.041 0.000 1.128 61 F CA -0.287 57.731 58.000 0.032 0.000 0.946 61 F CB 1.899 40.922 39.000 0.037 0.000 1.336 61 F HN 1.031 nan 8.300 nan 0.000 0.457 62 A N 4.015 126.445 122.820 -0.651 0.000 2.398 62 A HA 0.822 5.140 4.320 -0.003 0.000 0.301 62 A C -1.370 176.075 177.584 -0.232 0.000 1.041 62 A CA -0.498 51.355 52.037 -0.307 0.000 0.711 62 A CB 0.922 19.716 19.000 -0.344 0.000 1.240 62 A HN 0.815 nan 8.150 nan 0.000 0.420 63 I N -1.112 119.532 120.570 0.125 0.000 3.108 63 I HA 0.710 4.878 4.170 -0.003 0.000 0.312 63 I C -0.303 175.827 176.117 0.022 0.000 1.095 63 I CA -1.182 60.187 61.300 0.115 0.000 1.000 63 I CB 1.674 39.749 38.000 0.124 0.000 1.229 63 I HN 0.288 nan 8.210 nan 0.000 0.454 69 T N 0.419 114.885 114.554 -0.145 0.000 3.069 69 T HA 0.232 4.579 4.350 -0.003 0.000 0.252 69 T C 0.169 174.788 174.700 -0.135 0.000 1.053 69 T CA 0.144 62.163 62.100 -0.135 0.000 0.964 69 T CB -0.277 68.552 68.868 -0.065 0.000 1.005 69 T HN 0.606 nan 8.240 nan 0.000 0.532 70 K N -0.284 120.024 120.400 -0.153 0.000 2.480 70 K HA 0.637 4.955 4.320 -0.003 0.000 0.258 70 K C -1.879 174.647 176.600 -0.124 0.000 0.990 70 K CA -1.108 55.142 56.287 -0.062 0.000 0.857 70 K CB 1.008 33.534 32.500 0.043 0.000 1.384 70 K HN 0.005 nan 8.250 nan 0.000 0.446 71 W N 1.040 122.318 121.300 -0.037 0.000 2.509 71 W HA 0.548 5.206 4.660 -0.003 0.000 0.351 71 W C -0.103 176.392 176.519 -0.039 0.000 1.107 71 W CA -0.462 56.855 57.345 -0.048 0.000 1.264 71 W CB 1.134 30.554 29.460 -0.068 0.000 1.312 71 W HN 0.742 nan 8.180 nan 0.000 0.608 72 R N 1.121 121.747 120.500 0.210 0.000 2.637 72 R HA 0.585 4.923 4.340 -0.003 0.000 0.291 72 R C -0.856 175.517 176.300 0.121 0.000 0.963 72 R CA -1.142 55.036 56.100 0.131 0.000 0.901 72 R CB 1.744 32.099 30.300 0.092 0.000 1.160 72 R HN 0.412 nan 8.270 nan 0.000 0.457 73 K N 3.875 124.322 120.400 0.077 0.000 2.276 73 K HA 0.267 4.585 4.320 -0.003 0.000 0.285 73 K C -1.133 175.506 176.600 0.065 0.000 1.062 73 K CA -0.514 55.797 56.287 0.040 0.000 0.918 73 K CB 0.847 33.340 32.500 -0.013 0.000 1.055 73 K HN 0.689 nan 8.250 nan 0.000 0.477 74 L N 5.549 126.821 121.223 0.082 0.000 2.313 74 L HA 0.401 4.739 4.340 -0.003 0.000 0.283 74 L C -1.213 175.677 176.870 0.034 0.000 1.013 74 L CA -1.026 53.875 54.840 0.103 0.000 0.816 74 L CB 1.786 43.954 42.059 0.182 0.000 1.236 74 L HN 0.468 nan 8.230 nan 0.000 0.419 75 V N 2.826 122.710 119.914 -0.051 0.000 2.417 75 V HA 0.213 4.331 4.120 -0.003 0.000 0.291 75 V C -0.445 175.481 176.094 -0.280 0.000 1.024 75 V CA -0.663 61.472 62.300 -0.275 0.000 0.861 75 V CB 1.668 33.154 31.823 -0.562 0.000 0.985 75 V HN 0.609 nan 8.190 nan 0.000 0.436 76 D N 3.572 123.826 120.400 -0.243 0.000 2.522 76 D HA 0.260 4.898 4.640 -0.003 0.000 0.218 76 D C 0.421 176.654 176.300 -0.111 0.000 1.149 76 D CA -0.316 53.617 54.000 -0.113 0.000 0.981 76 D CB 0.098 40.861 40.800 -0.063 0.000 1.041 76 D HN 0.386 nan 8.370 nan 0.000 0.518 77 F N 1.664 121.663 119.950 0.081 0.000 2.772 77 F HA 0.151 4.676 4.527 -0.003 0.000 0.302 77 F C 2.147 178.016 175.800 0.114 0.000 1.225 77 F CA 0.019 58.089 58.000 0.118 0.000 1.429 77 F CB -0.123 38.977 39.000 0.165 0.000 1.104 77 F HN 0.264 nan 8.300 nan 0.000 0.550 78 R N 0.178 120.795 120.500 0.194 0.000 2.113 78 R HA -0.264 4.074 4.340 -0.003 0.000 0.244 78 R C 2.101 178.486 176.300 0.142 0.000 1.142 78 R CA 2.062 58.243 56.100 0.135 0.000 0.953 78 R CB -0.324 30.018 30.300 0.070 0.000 0.860 78 R HN 0.211 nan 8.270 nan 0.000 0.438 79 E N 0.628 120.913 120.200 0.142 0.000 2.072 79 E HA -0.139 4.209 4.350 -0.003 0.000 0.190 79 E C 1.771 178.473 176.600 0.169 0.000 0.982 79 E CA 0.705 57.184 56.400 0.132 0.000 0.803 79 E CB -0.191 29.577 29.700 0.114 0.000 0.755 79 E HN 0.127 nan 8.360 nan 0.000 0.453 80 L N 0.895 122.270 121.223 0.254 0.000 2.046 80 L HA -0.130 4.208 4.340 -0.003 0.000 0.208 80 L C 1.536 178.597 176.870 0.318 0.000 1.077 80 L CA 1.754 56.773 54.840 0.299 0.000 0.747 80 L CB -0.736 41.588 42.059 0.440 0.000 0.896 80 L HN 0.105 nan 8.230 nan 0.000 0.432 81 N N 0.145 119.027 118.700 0.303 0.000 2.166 81 N HA -0.230 4.508 4.740 -0.003 0.000 0.186 81 N C 1.790 177.368 175.510 0.114 0.000 1.019 81 N CA 1.368 54.531 53.050 0.188 0.000 0.856 81 N CB -0.333 38.235 38.487 0.134 0.000 0.993 81 N HN 0.453 nan 8.380 nan 0.000 0.426 82 K N 0.934 121.399 120.400 0.107 0.000 2.283 82 K HA 0.003 4.321 4.320 -0.003 0.000 0.202 82 K C 1.392 178.030 176.600 0.063 0.000 1.048 82 K CA 0.847 57.175 56.287 0.069 0.000 0.948 82 K CB 0.216 32.753 32.500 0.063 0.000 0.742 82 K HN 0.130 nan 8.250 nan 0.000 0.458 83 R N -0.355 120.199 120.500 0.089 0.000 2.254 83 R HA 0.091 4.429 4.340 -0.003 0.000 0.193 83 R C 0.189 176.534 176.300 0.075 0.000 0.929 83 R CA 0.135 56.270 56.100 0.058 0.000 1.038 83 R CB 0.521 30.840 30.300 0.031 0.000 1.009 83 R HN 0.015 nan 8.270 nan 0.000 0.512 84 T N 2.835 117.491 114.554 0.169 0.000 2.919 84 T HA 0.014 4.361 4.350 -0.003 0.000 0.302 84 T C 0.182 174.893 174.700 0.019 0.000 1.031 84 T CA -0.291 61.941 62.100 0.220 0.000 1.127 84 T CB 1.052 70.159 68.868 0.397 0.000 0.952 84 T HN 0.222 nan 8.240 nan 0.000 0.540 85 Q N 1.986 121.722 119.800 -0.106 0.000 2.479 85 Q HA 0.093 4.431 4.340 -0.003 0.000 0.267 85 Q C -0.670 175.080 176.000 -0.417 0.000 1.071 85 Q CA -0.349 55.288 55.803 -0.276 0.000 0.935 85 Q CB 0.353 28.863 28.738 -0.379 0.000 1.295 85 Q HN 0.413 nan 8.270 nan 0.000 0.476 86 D N 0.764 120.978 120.400 -0.311 0.000 2.372 86 D HA 0.237 4.875 4.640 -0.003 0.000 0.243 86 D C -0.896 175.157 176.300 -0.412 0.000 1.121 86 D CA 0.225 54.087 54.000 -0.230 0.000 0.898 86 D CB 0.389 41.132 40.800 -0.096 0.000 1.202 86 D HN 0.351 nan 8.370 nan 0.000 0.428 87 F N 0.239 120.140 119.950 -0.082 0.000 2.556 87 F HA 0.273 4.798 4.527 -0.003 0.000 0.327 87 F C 0.532 176.372 175.800 0.067 0.000 1.059 87 F CA -1.175 56.800 58.000 -0.042 0.000 0.953 87 F CB 1.039 39.952 39.000 -0.146 0.000 1.227 87 F HN 0.265 nan 8.300 nan 0.000 0.478 88 W N 3.110 124.477 121.300 0.111 0.000 2.193 88 W HA 0.048 4.706 4.660 -0.004 0.000 0.338 88 W C -0.097 176.446 176.519 0.040 0.000 1.310 88 W CA -0.466 56.908 57.345 0.049 0.000 1.243 88 W CB 0.720 30.201 29.460 0.035 0.000 1.165 88 W HN 0.443 nan 8.180 nan 0.000 0.566 89 E N 2.833 122.477 120.200 -0.926 0.000 2.413 89 E HA -0.051 4.297 4.350 -0.003 0.000 0.263 89 E C 0.986 177.228 176.600 -0.597 0.000 1.015 89 E CA 0.080 56.038 56.400 -0.737 0.000 0.916 89 E CB 1.056 30.280 29.700 -0.794 0.000 0.947 89 E HN 0.403 nan 8.360 nan 0.000 0.440 90 V N 1.553 121.287 119.914 -0.301 0.000 3.444 90 V HA -0.113 4.005 4.120 -0.003 0.000 0.271 90 V C 0.684 176.711 176.094 -0.111 0.000 1.188 90 V CA 0.966 63.169 62.300 -0.162 0.000 1.168 90 V CB -0.725 31.031 31.823 -0.112 0.000 0.810 90 V HN 0.444 nan 8.190 nan 0.000 0.500 91 Q N -1.507 118.192 119.800 -0.169 0.000 2.903 91 Q HA 0.296 4.634 4.340 -0.003 0.000 0.277 91 Q C -0.497 175.429 176.000 -0.124 0.000 0.933 91 Q CA -0.589 55.172 55.803 -0.070 0.000 0.822 91 Q CB 1.544 30.310 28.738 0.048 0.000 1.693 91 Q HN -0.017 nan 8.270 nan 0.000 0.447 92 L N -0.148 121.051 121.223 -0.041 0.000 2.585 92 L HA 0.484 4.822 4.340 -0.003 0.000 0.226 92 L C 0.785 177.657 176.870 0.003 0.000 1.113 92 L CA 1.259 56.078 54.840 -0.035 0.000 0.876 92 L CB -0.075 42.005 42.059 0.037 0.000 1.072 92 L HN 0.714 nan 8.230 nan 0.000 0.468 93 G N 0.292 109.113 108.800 0.035 0.000 2.355 93 G HA2 0.402 4.360 3.960 -0.003 0.000 0.296 93 G HA3 0.402 4.360 3.960 -0.003 0.000 0.296 93 G C -1.515 173.447 174.900 0.104 0.000 1.507 93 G CA -0.636 44.496 45.100 0.054 0.000 0.823 93 G HN -0.018 nan 8.290 nan 0.000 0.569 94 I N -0.887 119.753 120.570 0.117 0.000 2.437 94 I HA 0.748 4.916 4.170 -0.003 0.000 0.298 94 I C -2.249 173.931 176.117 0.106 0.000 0.984 94 I CA -2.475 58.934 61.300 0.182 0.000 1.214 94 I CB 1.004 39.123 38.000 0.199 0.000 1.365 94 I HN 0.247 nan 8.210 nan 0.000 0.469 95 P HA 0.083 nan 4.420 nan 0.000 0.267 95 P C -0.865 176.381 177.300 -0.090 0.000 1.200 95 P CA 0.141 63.177 63.100 -0.108 0.000 0.772 95 P CB 0.258 31.735 31.700 -0.372 0.000 0.855 96 H N 3.568 122.469 119.070 -0.282 0.000 2.527 96 H HA 0.129 4.683 4.556 -0.004 0.000 0.321 96 H C -1.575 173.414 175.328 -0.565 0.000 1.087 96 H CA -1.860 53.938 56.048 -0.416 0.000 1.337 96 H CB 1.296 30.801 29.762 -0.428 0.000 1.440 96 H HN 0.239 nan 8.280 nan 0.000 0.490 97 P HA -0.180 nan 4.420 nan 0.000 0.217 97 P C 1.085 178.017 177.300 -0.614 0.000 1.151 97 P CA 1.962 64.498 63.100 -0.941 0.000 0.849 97 P CB 0.080 30.785 31.700 -1.659 0.000 0.787 98 A N -0.608 121.906 122.820 -0.510 0.000 2.125 98 A HA -0.038 4.280 4.320 -0.003 0.000 0.219 98 A C 2.218 180.026 177.584 0.373 0.000 1.156 98 A CA 1.779 53.905 52.037 0.148 0.000 0.671 98 A CB -1.510 17.746 19.000 0.427 0.000 0.794 98 A HN 0.331 nan 8.150 nan 0.000 0.459 99 G N -1.061 107.739 108.800 -0.000 0.000 3.088 99 G HA2 0.383 4.341 3.960 -0.003 0.000 0.217 99 G HA3 0.383 4.341 3.960 -0.003 0.000 0.217 99 G C 0.414 175.377 174.900 0.104 0.000 1.159 99 G CA -0.365 44.697 45.100 -0.063 0.000 0.760 99 G HN 0.382 nan 8.290 nan 0.000 0.550 100 L N 0.760 122.031 121.223 0.080 0.000 2.380 100 L HA 0.344 4.682 4.340 -0.003 0.000 0.273 100 L C 0.359 177.278 176.870 0.081 0.000 1.138 100 L CA -0.708 54.108 54.840 -0.039 0.000 0.832 100 L CB 1.026 42.893 42.059 -0.321 0.000 1.124 100 L HN -0.092 nan 8.230 nan 0.000 0.454 101 K N 2.280 122.697 120.400 0.028 0.000 2.319 101 K HA 0.097 4.415 4.320 -0.003 0.000 0.265 101 K C -0.018 176.528 176.600 -0.090 0.000 1.000 101 K CA -0.105 56.203 56.287 0.035 0.000 0.943 101 K CB 0.507 33.017 32.500 0.017 0.000 0.950 101 K HN 0.339 nan 8.250 nan 0.000 0.485 102 K N 2.275 122.689 120.400 0.023 0.000 2.298 102 K HA 0.074 4.392 4.320 -0.003 0.000 0.280 102 K C -0.800 175.788 176.600 -0.019 0.000 1.032 102 K CA 0.109 56.420 56.287 0.040 0.000 0.958 102 K CB 0.398 32.992 32.500 0.156 0.000 0.978 102 K HN 0.577 nan 8.250 nan 0.000 0.472 103 N N 2.010 120.689 118.700 -0.035 0.000 2.284 103 N HA 0.166 4.904 4.740 -0.003 0.000 0.289 103 N C -0.047 175.450 175.510 -0.021 0.000 1.179 103 N CA -0.788 52.244 53.050 -0.031 0.000 0.774 103 N CB 1.893 40.352 38.487 -0.047 0.000 1.548 103 N HN 0.403 nan 8.380 nan 0.000 0.473 104 K N 0.033 120.409 120.400 -0.041 0.000 2.062 104 K HA 0.109 4.427 4.320 -0.003 0.000 0.205 104 K C -0.094 176.443 176.600 -0.106 0.000 1.051 104 K CA 0.876 57.130 56.287 -0.056 0.000 0.941 104 K CB 0.101 32.567 32.500 -0.057 0.000 0.719 104 K HN 0.301 nan 8.250 nan 0.000 0.440 105 S N 0.232 115.810 115.700 -0.203 0.000 2.548 105 S HA 0.442 4.910 4.470 -0.003 0.000 0.286 105 S C -1.478 173.023 174.600 -0.165 0.000 1.098 105 S CA -0.840 57.165 58.200 -0.325 0.000 0.930 105 S CB 2.774 65.421 63.200 -0.922 0.000 1.070 105 S HN 0.011 nan 8.310 nan 0.000 0.480 106 V N 2.740 122.682 119.914 0.046 0.000 2.733 106 V HA 0.736 4.854 4.120 -0.003 0.000 0.306 106 V C -1.219 175.124 176.094 0.415 0.000 1.084 106 V CA -0.021 62.430 62.300 0.252 0.000 0.905 106 V CB 2.114 34.096 31.823 0.267 0.000 1.010 106 V HN 0.928 nan 8.190 nan 0.000 0.424 107 T N 5.616 120.361 114.554 0.317 0.000 2.863 107 T HA 0.620 4.968 4.350 -0.003 0.000 0.285 107 T C -0.721 173.890 174.700 -0.148 0.000 1.009 107 T CA -0.426 61.777 62.100 0.171 0.000 0.989 107 T CB 1.758 70.714 68.868 0.147 0.000 1.004 107 T HN 0.554 nan 8.240 nan 0.000 0.455 108 V N 4.270 123.935 119.914 -0.415 0.000 2.439 108 V HA 0.500 4.618 4.120 -0.003 0.000 0.282 108 V C -0.392 175.482 176.094 -0.366 0.000 1.039 108 V CA -0.686 61.206 62.300 -0.678 0.000 0.913 108 V CB 1.001 32.220 31.823 -1.007 0.000 0.983 108 V HN 0.683 nan 8.190 nan 0.000 0.460 109 L N 5.390 126.411 121.223 -0.337 0.000 2.372 109 L HA 0.492 4.830 4.340 -0.003 0.000 0.273 109 L C -0.700 176.060 176.870 -0.183 0.000 0.989 109 L CA -0.701 54.019 54.840 -0.199 0.000 0.841 109 L CB 1.867 43.838 42.059 -0.147 0.000 1.225 109 L HN 0.700 nan 8.230 nan 0.000 0.414 110 D N 3.048 123.366 120.400 -0.136 0.000 2.210 110 D HA 0.216 4.854 4.640 -0.003 0.000 0.249 110 D C -0.031 176.244 176.300 -0.042 0.000 1.078 110 D CA -0.451 53.497 54.000 -0.087 0.000 0.875 110 D CB 2.301 43.057 40.800 -0.073 0.000 1.175 110 D HN 0.021 nan 8.370 nan 0.000 0.440 111 V N 1.998 121.909 119.914 -0.005 0.000 2.521 111 V HA 0.330 4.448 4.120 -0.003 0.000 0.286 111 V C 1.380 177.483 176.094 0.014 0.000 1.034 111 V CA -0.168 62.157 62.300 0.041 0.000 1.045 111 V CB 0.903 32.826 31.823 0.167 0.000 0.974 111 V HN 0.729 nan 8.190 nan 0.000 0.480 112 G N 3.501 112.315 108.800 0.024 0.000 2.334 112 G HA2 0.300 4.258 3.960 -0.003 0.000 0.261 112 G HA3 0.300 4.258 3.960 -0.003 0.000 0.261 112 G C 0.082 175.009 174.900 0.045 0.000 1.257 112 G CA -0.058 45.054 45.100 0.020 0.000 0.935 112 G HN 0.910 nan 8.290 nan 0.000 0.480 113 D N 0.918 121.338 120.400 0.033 0.000 3.278 113 D HA -0.165 4.473 4.640 -0.003 0.000 0.233 113 D C 1.510 177.829 176.300 0.032 0.000 1.149 113 D CA 0.848 54.901 54.000 0.088 0.000 0.957 113 D CB -0.825 40.083 40.800 0.179 0.000 0.913 113 D HN 0.688 nan 8.370 nan 0.000 0.409 114 A N 2.374 125.083 122.820 -0.184 0.000 1.862 114 A HA -0.269 4.049 4.320 -0.003 0.000 0.217 114 A C 2.005 179.371 177.584 -0.364 0.000 1.251 114 A CA 2.078 53.843 52.037 -0.453 0.000 0.673 114 A CB -1.056 17.364 19.000 -0.968 0.000 0.843 114 A HN 0.687 nan 8.150 nan 0.000 0.458 115 Y N -2.174 117.807 120.300 -0.530 0.000 2.293 115 Y HA -0.153 4.396 4.550 -0.003 0.000 0.291 115 Y C 2.098 177.855 175.900 -0.238 0.000 1.137 115 Y CA 0.570 58.387 58.100 -0.473 0.000 1.202 115 Y CB -0.201 37.863 38.460 -0.659 0.000 0.990 115 Y HN 0.343 nan 8.280 nan 0.000 0.537 116 F N -1.005 119.053 119.950 0.181 0.000 2.699 116 F HA -0.096 4.429 4.527 -0.004 0.000 0.298 116 F C 2.104 177.996 175.800 0.155 0.000 1.154 116 F CA 0.576 58.676 58.000 0.167 0.000 1.457 116 F CB -0.442 38.638 39.000 0.134 0.000 1.106 116 F HN -0.140 nan 8.300 nan 0.000 0.585 117 S N -0.825 115.056 115.700 0.302 0.000 2.527 117 S HA 0.080 4.548 4.470 -0.003 0.000 0.222 117 S C 0.578 175.319 174.600 0.236 0.000 0.985 117 S CA 0.170 58.520 58.200 0.250 0.000 0.921 117 S CB 0.147 63.489 63.200 0.236 0.000 0.772 117 S HN 0.080 nan 8.310 nan 0.000 0.529 118 V N 3.662 123.729 119.914 0.254 0.000 2.495 118 V HA 0.546 4.664 4.120 -0.003 0.000 0.298 118 V C -2.792 173.410 176.094 0.180 0.000 1.031 118 V CA -2.658 59.770 62.300 0.213 0.000 0.871 118 V CB 2.089 34.054 31.823 0.236 0.000 0.988 118 V HN -0.052 nan 8.190 nan 0.000 0.432 119 P HA 0.248 nan 4.420 nan 0.000 0.274 119 P C -1.106 176.264 177.300 0.116 0.000 1.246 119 P CA -0.377 62.805 63.100 0.137 0.000 0.795 119 P CB 1.358 33.131 31.700 0.122 0.000 1.006 120 L N 1.515 122.803 121.223 0.108 0.000 2.334 120 L HA 0.429 4.767 4.340 -0.003 0.000 0.276 120 L C -0.149 176.784 176.870 0.104 0.000 1.014 120 L CA -0.726 54.161 54.840 0.079 0.000 0.815 120 L CB 0.873 42.949 42.059 0.028 0.000 1.268 120 L HN 0.244 nan 8.230 nan 0.000 0.428 121 D N 2.429 122.898 120.400 0.115 0.000 2.586 121 D HA -0.121 4.516 4.640 -0.003 0.000 0.234 121 D C 0.995 177.393 176.300 0.163 0.000 1.132 121 D CA 0.709 54.794 54.000 0.142 0.000 0.860 121 D CB 0.982 41.879 40.800 0.162 0.000 1.159 121 D HN 0.711 nan 8.370 nan 0.000 0.490 122 E N 2.097 122.373 120.200 0.127 0.000 2.097 122 E HA -0.191 4.157 4.350 -0.003 0.000 0.196 122 E C 0.956 177.620 176.600 0.107 0.000 1.000 122 E CA 1.629 58.091 56.400 0.103 0.000 0.804 122 E CB 0.163 29.910 29.700 0.078 0.000 0.740 122 E HN 0.557 nan 8.360 nan 0.000 0.454 123 D N -1.105 119.381 120.400 0.144 0.000 2.371 123 D HA -0.107 4.531 4.640 -0.003 0.000 0.221 123 D C 1.072 177.518 176.300 0.243 0.000 0.986 123 D CA 0.476 54.567 54.000 0.152 0.000 0.899 123 D CB 0.069 40.973 40.800 0.173 0.000 0.902 123 D HN 0.225 nan 8.370 nan 0.000 0.530 124 F N 1.057 121.087 119.950 0.133 0.000 2.694 124 F HA 0.176 4.701 4.527 -0.003 0.000 0.292 124 F C 2.127 177.983 175.800 0.094 0.000 1.121 124 F CA -0.159 57.989 58.000 0.247 0.000 1.352 124 F CB 0.324 39.429 39.000 0.174 0.000 1.107 124 F HN -0.314 nan 8.300 nan 0.000 0.597 125 R N 0.957 121.532 120.500 0.125 0.000 2.133 125 R HA -0.245 4.093 4.340 -0.003 0.000 0.247 125 R C 1.961 178.240 176.300 -0.036 0.000 1.151 125 R CA 2.178 58.317 56.100 0.065 0.000 0.971 125 R CB -0.467 29.882 30.300 0.082 0.000 0.866 125 R HN 0.313 nan 8.270 nan 0.000 0.447 126 K N -0.289 120.002 120.400 -0.182 0.000 2.211 126 K HA -0.171 4.147 4.320 -0.003 0.000 0.204 126 K C 1.361 177.808 176.600 -0.254 0.000 1.047 126 K CA 1.659 57.811 56.287 -0.224 0.000 0.935 126 K CB -0.539 31.793 32.500 -0.281 0.000 0.728 126 K HN 0.311 nan 8.250 nan 0.000 0.452 127 Y N 1.861 121.968 120.300 -0.322 0.000 2.561 127 Y HA -0.026 4.522 4.550 -0.003 0.000 0.291 127 Y C 1.692 177.480 175.900 -0.187 0.000 1.141 127 Y CA 0.828 58.620 58.100 -0.512 0.000 1.303 127 Y CB -0.263 37.594 38.460 -1.004 0.000 1.015 127 Y HN 0.241 nan 8.280 nan 0.000 0.547 128 T N -1.971 112.633 114.554 0.084 0.000 3.278 128 T HA 0.461 4.809 4.350 -0.003 0.000 0.251 128 T C 0.684 175.687 174.700 0.506 0.000 1.039 128 T CA -0.159 62.151 62.100 0.349 0.000 0.935 128 T CB -0.555 68.524 68.868 0.351 0.000 1.034 128 T HN 0.212 nan 8.240 nan 0.000 0.575 129 A N 1.999 125.016 122.820 0.327 0.000 2.492 129 A HA 0.557 4.875 4.320 -0.003 0.000 0.254 129 A C -0.039 177.755 177.584 0.349 0.000 1.091 129 A CA -0.655 51.539 52.037 0.262 0.000 0.768 129 A CB -0.544 18.552 19.000 0.160 0.000 1.028 129 A HN 0.704 nan 8.150 nan 0.000 0.498 130 F N 0.105 120.157 119.950 0.171 0.000 2.611 130 F HA 0.852 5.377 4.527 -0.003 0.000 0.324 130 F C -0.211 175.659 175.800 0.116 0.000 1.061 130 F CA -1.017 57.061 58.000 0.131 0.000 0.954 130 F CB 1.444 40.517 39.000 0.122 0.000 1.301 130 F HN 0.260 nan 8.300 nan 0.000 0.482 131 T N 2.985 117.656 114.554 0.195 0.000 2.840 131 T HA 0.546 4.894 4.350 -0.003 0.000 0.287 131 T C -0.426 174.363 174.700 0.149 0.000 0.991 131 T CA -0.361 61.782 62.100 0.072 0.000 0.964 131 T CB 1.014 69.910 68.868 0.047 0.000 0.954 131 T HN 0.558 nan 8.240 nan 0.000 0.438 132 I N 6.082 126.720 120.570 0.114 0.000 2.322 132 I HA 0.287 4.455 4.170 -0.003 0.000 0.292 132 I C -1.925 174.217 176.117 0.043 0.000 1.060 132 I CA -2.125 59.242 61.300 0.112 0.000 1.309 132 I CB 0.554 38.629 38.000 0.124 0.000 1.415 132 I HN 0.309 nan 8.210 nan 0.000 0.492 133 P HA 0.190 nan 4.420 nan 0.000 0.276 133 P C -0.383 176.905 177.300 -0.020 0.000 1.252 133 P CA -0.451 62.648 63.100 -0.002 0.000 0.802 133 P CB 0.991 32.686 31.700 -0.008 0.000 1.035 134 S N 0.031 115.711 115.700 -0.033 0.000 2.655 134 S HA 0.189 4.657 4.470 -0.003 0.000 0.265 134 S C 1.557 176.130 174.600 -0.045 0.000 1.240 134 S CA -0.506 57.672 58.200 -0.038 0.000 0.986 134 S CB -0.356 62.820 63.200 -0.040 0.000 0.985 134 S HN 0.248 nan 8.310 nan 0.000 0.562 135 I N 1.617 122.161 120.570 -0.043 0.000 2.300 135 I HA -0.240 3.928 4.170 -0.003 0.000 0.252 135 I C 1.559 177.645 176.117 -0.052 0.000 1.119 135 I CA 1.677 62.951 61.300 -0.044 0.000 1.384 135 I CB -0.724 37.254 38.000 -0.037 0.000 1.062 135 I HN 0.618 nan 8.210 nan 0.000 0.426 136 N N -1.912 116.752 118.700 -0.059 0.000 2.698 136 N HA 0.073 4.811 4.740 -0.003 0.000 0.186 136 N C 1.034 176.490 175.510 -0.090 0.000 1.712 136 N CA -0.134 52.869 53.050 -0.078 0.000 1.153 136 N CB -0.502 37.946 38.487 -0.066 0.000 2.112 136 N HN -0.036 nan 8.380 nan 0.000 0.308 137 N N 1.059 119.708 118.700 -0.084 0.000 2.047 137 N HA -0.133 4.605 4.740 -0.003 0.000 0.193 137 N C 0.290 175.763 175.510 -0.061 0.000 1.055 137 N CA 1.861 54.864 53.050 -0.078 0.000 0.847 137 N CB -0.291 38.155 38.487 -0.069 0.000 1.038 137 N HN 0.348 nan 8.380 nan 0.000 0.427 138 E N -1.245 118.924 120.200 -0.051 0.000 3.600 138 E HA -0.231 4.117 4.350 -0.003 0.000 0.319 138 E C -0.549 176.025 176.600 -0.042 0.000 1.543 138 E CA 1.940 58.314 56.400 -0.044 0.000 2.100 138 E CB -1.510 28.165 29.700 -0.043 0.000 1.919 138 E HN 0.499 nan 8.360 nan 0.000 0.446 139 T N 2.320 116.850 114.554 -0.041 0.000 2.903 139 T HA 0.319 4.667 4.350 -0.003 0.000 0.314 139 T C -2.242 172.431 174.700 -0.044 0.000 1.078 139 T CA -0.636 61.440 62.100 -0.041 0.000 1.114 139 T CB 0.233 69.077 68.868 -0.041 0.000 0.987 139 T HN 0.176 nan 8.240 nan 0.000 0.548 140 P HA 0.213 nan 4.420 nan 0.000 0.266 140 P C 0.521 177.788 177.300 -0.054 0.000 1.195 140 P CA -0.007 63.062 63.100 -0.051 0.000 0.768 140 P CB 0.213 31.879 31.700 -0.056 0.000 0.838 141 G N 2.301 111.070 108.800 -0.051 0.000 2.616 141 G HA2 0.377 4.335 3.960 -0.003 0.000 0.268 141 G HA3 0.377 4.335 3.960 -0.003 0.000 0.268 141 G C -0.324 174.529 174.900 -0.080 0.000 1.213 141 G CA -0.740 44.331 45.100 -0.049 0.000 0.926 141 G HN 0.425 nan 8.290 nan 0.000 0.523 142 I N 0.207 120.730 120.570 -0.078 0.000 2.416 142 I HA 0.281 4.449 4.170 -0.003 0.000 0.288 142 I C 0.583 176.567 176.117 -0.221 0.000 1.051 142 I CA 0.018 61.225 61.300 -0.154 0.000 1.375 142 I CB 0.919 38.868 38.000 -0.085 0.000 1.407 142 I HN 0.233 nan 8.210 nan 0.000 0.516 143 R N 5.638 125.911 120.500 -0.378 0.000 2.494 143 R HA 0.608 4.946 4.340 -0.003 0.000 0.305 143 R C -1.464 174.454 176.300 -0.637 0.000 0.959 143 R CA -0.714 55.150 56.100 -0.395 0.000 0.864 143 R CB 1.764 31.918 30.300 -0.244 0.000 1.159 143 R HN 0.437 nan 8.270 nan 0.000 0.446 144 Y N 0.558 120.482 120.300 -0.626 0.000 2.633 144 Y HA 0.323 4.871 4.550 -0.003 0.000 0.339 144 Y C -0.004 175.650 175.900 -0.410 0.000 1.045 144 Y CA -0.757 56.989 58.100 -0.589 0.000 1.098 144 Y CB 2.259 40.215 38.460 -0.840 0.000 1.296 144 Y HN 0.478 nan 8.280 nan 0.000 0.494 145 Q N -0.427 119.389 119.800 0.025 0.000 2.456 145 Q HA 0.533 4.871 4.340 -0.003 0.000 0.283 145 Q C -2.122 173.982 176.000 0.173 0.000 1.084 145 Q CA -1.135 54.763 55.803 0.157 0.000 0.801 145 Q CB 2.136 30.933 28.738 0.099 0.000 1.434 145 Q HN 0.624 nan 8.270 nan 0.000 0.419 146 Y N 0.912 121.354 120.300 0.237 0.000 2.299 146 Y HA 0.230 4.778 4.550 -0.003 0.000 0.326 146 Y C 0.386 176.361 175.900 0.126 0.000 1.164 146 Y CA 0.136 58.358 58.100 0.203 0.000 1.234 146 Y CB 1.392 39.959 38.460 0.179 0.000 1.219 146 Y HN 0.776 nan 8.280 nan 0.000 0.497 147 N N 0.135 118.994 118.700 0.264 0.000 2.197 147 N HA 0.133 4.871 4.740 -0.003 0.000 0.201 147 N C -0.858 174.774 175.510 0.204 0.000 1.148 147 N CA -0.010 53.153 53.050 0.189 0.000 0.883 147 N CB 0.845 39.414 38.487 0.136 0.000 1.012 147 N HN 0.316 nan 8.380 nan 0.000 0.507 148 V N -1.962 118.127 119.914 0.292 0.000 3.166 148 V HA 0.513 4.631 4.120 -0.003 0.000 0.317 148 V C -0.051 176.150 176.094 0.179 0.000 1.136 148 V CA -1.395 61.067 62.300 0.270 0.000 1.035 148 V CB 1.322 33.372 31.823 0.379 0.000 1.110 148 V HN -0.079 nan 8.190 nan 0.000 0.450 149 L N 2.679 123.950 121.223 0.079 0.000 2.477 149 L HA 0.348 4.686 4.340 -0.003 0.000 0.272 149 L C -2.222 174.497 176.870 -0.250 0.000 1.157 149 L CA -1.116 53.663 54.840 -0.103 0.000 0.889 149 L CB 0.434 42.420 42.059 -0.121 0.000 1.158 149 L HN 0.515 nan 8.230 nan 0.000 0.473 150 P HA 0.133 nan 4.420 nan 0.000 0.282 150 P C -0.989 176.099 177.300 -0.353 0.000 1.249 150 P CA -0.742 62.012 63.100 -0.578 0.000 0.806 150 P CB 0.620 31.657 31.700 -1.105 0.000 0.984 151 Q N 1.310 121.030 119.800 -0.132 0.000 2.330 151 Q HA 0.219 4.557 4.340 -0.003 0.000 0.279 151 Q C 1.502 177.576 176.000 0.122 0.000 1.024 151 Q CA 1.408 57.245 55.803 0.055 0.000 0.900 151 Q CB -0.245 28.582 28.738 0.149 0.000 1.221 151 Q HN 0.931 nan 8.270 nan 0.000 0.396 152 G N 2.111 110.967 108.800 0.094 0.000 2.162 152 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.260 152 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.260 152 G C -0.388 174.570 174.900 0.096 0.000 0.976 152 G CA 0.349 45.523 45.100 0.123 0.000 0.655 152 G HN 0.629 nan 8.290 nan 0.000 0.533 153 W N 1.328 122.436 121.300 -0.321 0.000 2.315 153 W HA 0.631 5.289 4.660 -0.004 0.000 0.316 153 W C 1.284 177.588 176.519 -0.359 0.000 1.211 153 W CA -0.709 56.361 57.345 -0.459 0.000 1.201 153 W CB 0.822 29.810 29.460 -0.786 0.000 1.184 153 W HN 0.048 nan 8.180 nan 0.000 0.544 154 K N 2.581 122.443 120.400 -0.898 0.000 2.077 154 K HA -0.197 4.121 4.320 -0.003 0.000 0.213 154 K C 1.732 177.608 176.600 -1.206 0.000 1.051 154 K CA 2.199 57.985 56.287 -0.835 0.000 0.929 154 K CB -0.605 31.563 32.500 -0.554 0.000 0.715 154 K HN 0.758 nan 8.250 nan 0.000 0.451 155 G N -1.077 106.363 108.800 -2.266 0.000 2.939 155 G HA2 -0.039 3.919 3.960 -0.003 0.000 0.210 155 G HA3 -0.039 3.919 3.960 -0.003 0.000 0.210 155 G C 1.160 175.220 174.900 -1.399 0.000 1.160 155 G CA 0.165 43.780 45.100 -2.476 0.000 0.770 155 G HN 0.229 nan 8.290 nan 0.000 0.543 156 S N 1.834 116.952 115.700 -0.970 0.000 2.356 156 S HA -0.069 4.399 4.470 -0.003 0.000 0.223 156 S C 0.038 174.247 174.600 -0.651 0.000 1.032 156 S CA 1.288 59.041 58.200 -0.746 0.000 1.005 156 S CB -0.782 61.729 63.200 -1.149 0.000 0.867 156 S HN 0.254 nan 8.310 nan 0.000 0.449 157 P HA -0.150 nan 4.420 nan 0.000 0.214 157 P C 1.527 178.759 177.300 -0.113 0.000 1.169 157 P CA 1.804 64.818 63.100 -0.144 0.000 0.908 157 P CB -0.172 31.417 31.700 -0.185 0.000 0.791 158 A N -1.281 121.366 122.820 -0.289 0.000 1.898 158 A HA -0.153 4.165 4.320 -0.003 0.000 0.216 158 A C 2.250 179.759 177.584 -0.125 0.000 1.181 158 A CA 1.502 53.419 52.037 -0.199 0.000 0.620 158 A CB -1.573 17.273 19.000 -0.257 0.000 0.819 158 A HN 0.115 nan 8.150 nan 0.000 0.442 159 I N -1.930 118.520 120.570 -0.200 0.000 2.286 159 I HA -0.171 3.997 4.170 -0.003 0.000 0.245 159 I C 2.326 178.448 176.117 0.007 0.000 1.104 159 I CA 1.354 62.603 61.300 -0.085 0.000 1.397 159 I CB -0.354 37.590 38.000 -0.093 0.000 1.072 159 I HN 0.442 nan 8.210 nan 0.000 0.417 160 F N 1.701 121.602 119.950 -0.082 0.000 2.095 160 F HA -0.320 4.205 4.527 -0.004 0.000 0.298 160 F C 2.708 178.496 175.800 -0.021 0.000 1.104 160 F CA 2.010 60.009 58.000 -0.001 0.000 1.232 160 F CB -0.449 38.626 39.000 0.125 0.000 0.987 160 F HN 0.053 nan 8.300 nan 0.000 0.475 161 Q N 0.035 119.837 119.800 0.003 0.000 2.124 161 Q HA -0.219 4.119 4.340 -0.003 0.000 0.202 161 Q C 2.404 178.313 176.000 -0.152 0.000 0.977 161 Q CA 1.949 57.684 55.803 -0.113 0.000 0.850 161 Q CB -0.547 28.195 28.738 0.006 0.000 0.901 161 Q HN 0.509 nan 8.270 nan 0.000 0.429 162 S N -0.345 115.301 115.700 -0.089 0.000 2.368 162 S HA -0.103 4.365 4.470 -0.003 0.000 0.225 162 S C 2.074 176.602 174.600 -0.119 0.000 1.030 162 S CA 1.606 59.766 58.200 -0.066 0.000 0.999 162 S CB -0.130 63.061 63.200 -0.016 0.000 0.844 162 S HN 0.466 nan 8.310 nan 0.000 0.459 163 S N 1.222 116.826 115.700 -0.161 0.000 2.355 163 S HA -0.067 4.401 4.470 -0.003 0.000 0.222 163 S C 1.836 176.267 174.600 -0.281 0.000 1.031 163 S CA 1.601 59.686 58.200 -0.192 0.000 0.993 163 S CB -0.484 62.622 63.200 -0.156 0.000 0.859 163 S HN 0.611 nan 8.310 nan 0.000 0.453 164 M N 2.068 121.429 119.600 -0.398 0.000 2.108 164 M HA -0.119 4.359 4.480 -0.003 0.000 0.261 164 M C 1.936 178.080 176.300 -0.261 0.000 1.066 164 M CA 1.719 56.783 55.300 -0.394 0.000 1.107 164 M CB -1.323 30.955 32.600 -0.537 0.000 1.356 164 M HN 0.190 nan 8.290 nan 0.000 0.406 165 T N 0.100 114.530 114.554 -0.207 0.000 2.684 165 T HA -0.203 4.145 4.350 -0.003 0.000 0.267 165 T C 1.858 176.472 174.700 -0.143 0.000 1.036 165 T CA 1.917 63.935 62.100 -0.137 0.000 1.148 165 T CB -0.293 68.524 68.868 -0.085 0.000 0.863 165 T HN 0.445 nan 8.240 nan 0.000 0.436 166 K N 0.347 120.644 120.400 -0.173 0.000 2.097 166 K HA 0.057 4.375 4.320 -0.003 0.000 0.205 166 K C 2.164 178.581 176.600 -0.305 0.000 1.050 166 K CA 0.893 57.062 56.287 -0.196 0.000 0.938 166 K CB -0.227 32.161 32.500 -0.187 0.000 0.718 166 K HN 0.303 nan 8.250 nan 0.000 0.442 167 I N 0.721 121.057 120.570 -0.390 0.000 2.202 167 I HA -0.293 3.875 4.170 -0.003 0.000 0.242 167 I C 1.968 177.957 176.117 -0.215 0.000 1.091 167 I CA 1.167 62.145 61.300 -0.535 0.000 1.368 167 I CB -0.131 37.583 38.000 -0.478 0.000 1.058 167 I HN 0.133 nan 8.210 nan 0.000 0.410 168 L N 0.147 121.274 121.223 -0.161 0.000 2.141 168 L HA -0.186 4.152 4.340 -0.003 0.000 0.209 168 L C 2.498 179.339 176.870 -0.048 0.000 1.094 168 L CA 0.994 55.770 54.840 -0.107 0.000 0.763 168 L CB -0.582 41.411 42.059 -0.109 0.000 0.908 168 L HN 0.291 nan 8.230 nan 0.000 0.437 169 E N 0.573 120.736 120.200 -0.062 0.000 2.095 169 E HA -0.267 4.081 4.350 -0.003 0.000 0.212 169 E C -0.554 176.045 176.600 -0.001 0.000 1.044 169 E CA 2.330 58.711 56.400 -0.031 0.000 0.857 169 E CB -0.748 28.923 29.700 -0.048 0.000 0.764 169 E HN 0.339 nan 8.360 nan 0.000 0.462 170 P HA -0.184 nan 4.420 nan 0.000 0.215 170 P C 1.463 178.772 177.300 0.014 0.000 1.157 170 P CA 1.261 64.394 63.100 0.055 0.000 0.868 170 P CB -0.357 31.444 31.700 0.168 0.000 0.788 171 F N 1.240 121.050 119.950 -0.234 0.000 2.134 171 F HA -0.120 4.404 4.527 -0.005 0.000 0.299 171 F C 2.590 178.294 175.800 -0.160 0.000 1.097 171 F CA 1.421 59.237 58.000 -0.306 0.000 1.264 171 F CB -0.427 38.219 39.000 -0.590 0.000 1.001 171 F HN -0.290 nan 8.300 nan 0.000 0.479 172 R N 0.084 120.653 120.500 0.114 0.000 2.080 172 R HA -0.188 4.150 4.340 -0.003 0.000 0.236 172 R C 2.108 178.389 176.300 -0.031 0.000 1.137 172 R CA 1.778 57.914 56.100 0.061 0.000 0.943 172 R CB -0.451 29.880 30.300 0.051 0.000 0.846 172 R HN 0.065 nan 8.270 nan 0.000 0.431 173 K N 0.828 121.208 120.400 -0.033 0.000 2.362 173 K HA -0.136 4.182 4.320 -0.003 0.000 0.200 173 K C 1.580 178.136 176.600 -0.074 0.000 1.046 173 K CA 1.166 57.429 56.287 -0.040 0.000 0.952 173 K CB 0.080 32.569 32.500 -0.019 0.000 0.753 173 K HN 0.396 nan 8.250 nan 0.000 0.466 174 Q N -1.231 118.488 119.800 -0.135 0.000 2.198 174 Q HA 0.180 4.518 4.340 -0.003 0.000 0.209 174 Q C -0.732 175.102 176.000 -0.276 0.000 0.848 174 Q CA -0.037 55.661 55.803 -0.176 0.000 0.974 174 Q CB 0.250 28.890 28.738 -0.162 0.000 1.115 174 Q HN 0.025 nan 8.270 nan 0.000 0.494 175 N N 1.172 119.708 118.700 -0.273 0.000 2.716 175 N HA 0.183 4.921 4.740 -0.003 0.000 0.245 175 N C -2.555 172.895 175.510 -0.100 0.000 1.495 175 N CA -1.098 51.804 53.050 -0.246 0.000 0.759 175 N CB 1.724 39.943 38.487 -0.447 0.000 1.261 175 N HN 0.024 nan 8.380 nan 0.000 0.515 176 P HA -0.046 nan 4.420 nan 0.000 0.219 176 P C 0.012 177.309 177.300 -0.005 0.000 1.150 176 P CA 1.047 64.131 63.100 -0.026 0.000 0.814 176 P CB 0.318 32.003 31.700 -0.025 0.000 0.787 177 D N -0.575 119.822 120.400 -0.007 0.000 2.434 177 D HA 0.104 4.742 4.640 -0.003 0.000 0.232 177 D C 0.086 176.405 176.300 0.032 0.000 1.166 177 D CA 0.348 54.355 54.000 0.011 0.000 0.830 177 D CB 0.007 40.811 40.800 0.007 0.000 0.960 177 D HN 0.142 nan 8.370 nan 0.000 0.497 178 I N 1.276 121.871 120.570 0.042 0.000 2.418 178 I HA 0.196 4.364 4.170 -0.003 0.000 0.287 178 I C -0.108 176.061 176.117 0.087 0.000 1.008 178 I CA -0.966 60.384 61.300 0.084 0.000 1.104 178 I CB 1.909 39.983 38.000 0.123 0.000 1.264 178 I HN -0.307 nan 8.210 nan 0.000 0.438 179 V N 8.521 128.485 119.914 0.084 0.000 2.347 179 V HA 0.564 4.682 4.120 -0.003 0.000 0.280 179 V C -0.306 175.840 176.094 0.087 0.000 1.021 179 V CA -0.266 62.077 62.300 0.071 0.000 0.847 179 V CB 1.333 33.180 31.823 0.040 0.000 0.990 179 V HN 0.536 nan 8.190 nan 0.000 0.444 180 I N 7.463 128.087 120.570 0.090 0.000 2.509 180 I HA 0.451 4.619 4.170 -0.003 0.000 0.293 180 I C -1.327 174.873 176.117 0.139 0.000 1.020 180 I CA -0.822 60.532 61.300 0.090 0.000 1.088 180 I CB 2.001 40.024 38.000 0.038 0.000 1.267 180 I HN 0.693 nan 8.210 nan 0.000 0.430 181 Y N 5.299 125.610 120.300 0.019 0.000 2.331 181 Y HA 0.436 4.983 4.550 -0.004 0.000 0.334 181 Y C -0.763 175.186 175.900 0.082 0.000 0.960 181 Y CA -0.707 57.405 58.100 0.020 0.000 1.130 181 Y CB 1.331 39.753 38.460 -0.064 0.000 1.164 181 Y HN 0.519 nan 8.280 nan 0.000 0.458 182 Q N 5.729 125.228 119.800 -0.503 0.000 2.288 182 Q HA 0.243 4.581 4.340 -0.003 0.000 0.258 182 Q C -1.768 173.815 176.000 -0.694 0.000 0.957 182 Q CA -0.315 55.227 55.803 -0.435 0.000 0.919 182 Q CB 1.498 30.090 28.738 -0.243 0.000 1.185 182 Q HN 0.703 nan 8.270 nan 0.000 0.408 183 Y N 4.245 124.304 120.300 -0.402 0.000 2.315 183 Y HA 0.233 4.782 4.550 -0.003 0.000 0.324 183 Y C 0.045 175.980 175.900 0.058 0.000 1.062 183 Y CA -0.549 57.477 58.100 -0.123 0.000 1.159 183 Y CB 0.582 39.158 38.460 0.193 0.000 1.145 183 Y HN 0.850 nan 8.280 nan 0.000 0.442 184 M N 1.374 120.753 119.600 -0.369 0.000 7.319 184 M HA -0.362 4.116 4.480 -0.003 0.000 0.330 184 M C 0.471 176.744 176.300 -0.046 0.000 0.480 184 M CA 2.321 57.443 55.300 -0.296 0.000 1.311 184 M CB -0.977 31.300 32.600 -0.538 0.000 0.421 184 M HN 0.784 nan 8.290 nan 0.000 0.884 185 D N 0.810 121.124 120.400 -0.143 0.000 2.460 185 D HA 0.243 4.881 4.640 -0.003 0.000 0.229 185 D C -0.467 175.836 176.300 0.005 0.000 1.170 185 D CA 0.203 54.159 54.000 -0.073 0.000 0.827 185 D CB -0.218 40.404 40.800 -0.297 0.000 0.973 185 D HN 0.311 nan 8.370 nan 0.000 0.496 186 D N 0.256 120.681 120.400 0.042 0.000 2.419 186 D HA 0.523 5.161 4.640 -0.003 0.000 0.234 186 D C -0.388 175.885 176.300 -0.044 0.000 1.014 186 D CA -0.533 53.464 54.000 -0.005 0.000 0.919 186 D CB 2.501 43.358 40.800 0.095 0.000 1.366 186 D HN 0.036 nan 8.370 nan 0.000 0.490 187 L N 1.550 122.662 121.223 -0.186 0.000 2.436 187 L HA 0.357 4.695 4.340 -0.003 0.000 0.268 187 L C -1.348 175.335 176.870 -0.312 0.000 0.974 187 L CA -0.830 53.915 54.840 -0.158 0.000 0.826 187 L CB 1.751 43.728 42.059 -0.136 0.000 1.291 187 L HN 0.265 nan 8.230 nan 0.000 0.406 188 Y N 2.549 122.802 120.300 -0.078 0.000 2.342 188 Y HA 0.555 5.102 4.550 -0.005 0.000 0.338 188 Y C -0.158 175.726 175.900 -0.027 0.000 0.965 188 Y CA -0.752 57.295 58.100 -0.088 0.000 1.159 188 Y CB 1.909 40.308 38.460 -0.102 0.000 1.157 188 Y HN 0.139 nan 8.280 nan 0.000 0.486 189 V N 3.205 123.173 119.914 0.089 0.000 2.487 189 V HA 0.861 4.979 4.120 -0.003 0.000 0.298 189 V C 0.162 176.366 176.094 0.183 0.000 1.028 189 V CA -0.723 61.637 62.300 0.101 0.000 0.860 189 V CB 1.555 33.396 31.823 0.030 0.000 0.991 189 V HN 0.894 nan 8.190 nan 0.000 0.427 190 G N 2.504 111.405 108.800 0.169 0.000 2.574 190 G HA2 0.843 4.801 3.960 -0.003 0.000 0.299 190 G HA3 0.843 4.801 3.960 -0.003 0.000 0.299 190 G C -0.754 174.245 174.900 0.165 0.000 1.298 190 G CA -0.113 45.091 45.100 0.174 0.000 0.952 190 G HN 1.064 nan 8.290 nan 0.000 0.477 191 S N -0.859 114.927 115.700 0.143 0.000 2.643 191 S HA 0.496 4.963 4.470 -0.003 0.000 0.270 191 S C -0.942 173.679 174.600 0.036 0.000 1.166 191 S CA -0.664 57.609 58.200 0.121 0.000 0.815 191 S CB 2.056 65.394 63.200 0.231 0.000 1.139 191 S HN 0.294 nan 8.310 nan 0.000 0.472 192 D N 0.518 120.940 120.400 0.036 0.000 2.369 192 D HA 0.268 4.906 4.640 -0.003 0.000 0.211 192 D C 0.561 176.870 176.300 0.015 0.000 1.077 192 D CA 0.109 54.113 54.000 0.008 0.000 0.842 192 D CB -0.016 40.788 40.800 0.007 0.000 0.947 192 D HN 0.576 nan 8.370 nan 0.000 0.509 193 L N 0.070 121.323 121.223 0.049 0.000 2.453 193 L HA 0.371 4.709 4.340 -0.003 0.000 0.261 193 L C 0.700 177.601 176.870 0.053 0.000 1.179 193 L CA -0.791 54.085 54.840 0.061 0.000 0.813 193 L CB 0.346 42.461 42.059 0.092 0.000 1.110 193 L HN -0.364 nan 8.230 nan 0.000 0.466 194 E N 0.537 120.767 120.200 0.049 0.000 2.425 194 E HA 0.069 4.417 4.350 -0.003 0.000 0.258 194 E C 0.718 177.359 176.600 0.068 0.000 1.151 194 E CA 0.148 56.571 56.400 0.038 0.000 0.958 194 E CB 0.618 30.337 29.700 0.032 0.000 0.968 194 E HN 0.624 nan 8.360 nan 0.000 0.451 195 I N 1.380 121.977 120.570 0.045 0.000 3.233 195 I HA -0.131 4.037 4.170 -0.003 0.000 0.287 195 I C 1.034 177.205 176.117 0.091 0.000 1.329 195 I CA 0.878 62.219 61.300 0.069 0.000 1.385 195 I CB -0.314 37.710 38.000 0.040 0.000 1.053 195 I HN 0.560 nan 8.210 nan 0.000 0.525 196 G N 0.231 109.081 108.800 0.084 0.000 2.765 196 G HA2 -0.119 3.839 3.960 -0.003 0.000 0.218 196 G HA3 -0.119 3.839 3.960 -0.003 0.000 0.218 196 G C 1.206 176.156 174.900 0.083 0.000 1.271 196 G CA 0.340 45.483 45.100 0.072 0.000 0.865 196 G HN 0.450 nan 8.290 nan 0.000 0.604 197 Q N 0.639 120.488 119.800 0.081 0.000 2.488 197 Q HA -0.073 4.265 4.340 -0.003 0.000 0.211 197 Q C 1.688 177.748 176.000 0.099 0.000 0.967 197 Q CA 1.018 56.865 55.803 0.074 0.000 0.926 197 Q CB -0.664 28.108 28.738 0.057 0.000 0.992 197 Q HN 0.755 nan 8.270 nan 0.000 0.506 198 H N 1.606 120.700 119.070 0.041 0.000 2.333 198 H HA 0.066 4.622 4.556 0.000 0.000 0.302 198 H C 1.628 176.989 175.328 0.055 0.000 1.075 198 H CA 1.344 57.422 56.048 0.050 0.000 1.348 198 H CB 0.279 30.071 29.762 0.049 0.000 1.393 198 H HN 0.240 nan 8.280 nan 0.000 0.509 199 R N -0.194 120.351 120.500 0.076 0.000 2.105 199 R HA -0.100 4.238 4.340 -0.003 0.000 0.239 199 R C 2.518 178.810 176.300 -0.014 0.000 1.135 199 R CA 1.949 58.062 56.100 0.021 0.000 0.967 199 R CB -0.209 30.136 30.300 0.076 0.000 0.861 199 R HN 0.344 nan 8.270 nan 0.000 0.442 200 T N 0.765 115.326 114.554 0.012 0.000 2.652 200 T HA -0.187 4.161 4.350 -0.003 0.000 0.267 200 T C 1.713 176.418 174.700 0.008 0.000 1.039 200 T CA 1.524 63.634 62.100 0.017 0.000 1.153 200 T CB -0.138 68.748 68.868 0.031 0.000 0.863 200 T HN 0.072 nan 8.240 nan 0.000 0.428 201 K N 0.710 121.101 120.400 -0.015 0.000 2.211 201 K HA 0.143 4.461 4.320 -0.003 0.000 0.203 201 K C 1.982 178.592 176.600 0.016 0.000 1.050 201 K CA 0.683 56.983 56.287 0.021 0.000 0.945 201 K CB -0.536 31.972 32.500 0.013 0.000 0.732 201 K HN 0.391 nan 8.250 nan 0.000 0.451 202 I N 0.823 121.328 120.570 -0.108 0.000 2.179 202 I HA -0.250 3.918 4.170 -0.003 0.000 0.242 202 I C 1.774 177.865 176.117 -0.044 0.000 1.088 202 I CA 1.161 62.395 61.300 -0.109 0.000 1.357 202 I CB -0.194 37.719 38.000 -0.144 0.000 1.051 202 I HN 0.108 nan 8.210 nan 0.000 0.409 203 E N 0.560 120.753 120.200 -0.011 0.000 2.204 203 E HA -0.235 4.113 4.350 -0.003 0.000 0.194 203 E C 1.915 178.546 176.600 0.052 0.000 0.989 203 E CA 0.815 57.225 56.400 0.016 0.000 0.824 203 E CB -0.309 29.404 29.700 0.022 0.000 0.756 203 E HN 0.583 nan 8.360 nan 0.000 0.477 204 E N 0.629 120.885 120.200 0.093 0.000 2.106 204 E HA -0.121 4.227 4.350 -0.003 0.000 0.192 204 E C 2.034 178.767 176.600 0.221 0.000 0.984 204 E CA 0.391 56.901 56.400 0.183 0.000 0.806 204 E CB 0.092 29.933 29.700 0.234 0.000 0.750 204 E HN 0.142 nan 8.360 nan 0.000 0.458 205 L N 0.796 122.047 121.223 0.047 0.000 2.072 205 L HA -0.088 4.250 4.340 -0.003 0.000 0.205 205 L C 2.419 179.201 176.870 -0.146 0.000 1.079 205 L CA 1.317 55.944 54.840 -0.356 0.000 0.752 205 L CB -0.397 41.313 42.059 -0.583 0.000 0.906 205 L HN 0.169 nan 8.230 nan 0.000 0.436 206 R N -0.377 120.084 120.500 -0.066 0.000 2.105 206 R HA -0.264 4.074 4.340 -0.003 0.000 0.239 206 R C 2.160 178.477 176.300 0.029 0.000 1.135 206 R CA 1.850 57.937 56.100 -0.021 0.000 0.967 206 R CB -0.289 30.003 30.300 -0.013 0.000 0.861 206 R HN 0.403 nan 8.270 nan 0.000 0.442 207 Q N 0.222 120.057 119.800 0.059 0.000 2.050 207 Q HA -0.226 4.112 4.340 -0.003 0.000 0.202 207 Q C 1.825 177.895 176.000 0.116 0.000 0.980 207 Q CA 2.021 57.872 55.803 0.079 0.000 0.840 207 Q CB -0.374 28.419 28.738 0.091 0.000 0.898 207 Q HN 0.489 nan 8.270 nan 0.000 0.424 208 H N -0.714 118.403 119.070 0.078 0.000 2.422 208 H HA -0.056 4.498 4.556 -0.003 0.000 0.298 208 H C 1.562 177.005 175.328 0.190 0.000 1.098 208 H CA 1.896 58.038 56.048 0.156 0.000 1.315 208 H CB 0.020 29.866 29.762 0.140 0.000 1.382 208 H HN 0.320 nan 8.280 nan 0.000 0.523 209 L N -0.605 120.721 121.223 0.172 0.000 2.095 209 L HA -0.095 4.243 4.340 -0.003 0.000 0.204 209 L C 2.417 179.354 176.870 0.112 0.000 1.080 209 L CA 0.676 55.593 54.840 0.129 0.000 0.759 209 L CB -0.270 41.813 42.059 0.041 0.000 0.914 209 L HN 0.293 nan 8.230 nan 0.000 0.439 210 L N -0.376 120.885 121.223 0.064 0.000 2.141 210 L HA -0.156 4.182 4.340 -0.003 0.000 0.209 210 L C 2.864 179.731 176.870 -0.004 0.000 1.094 210 L CA 0.760 55.621 54.840 0.035 0.000 0.763 210 L CB -0.375 41.695 42.059 0.019 0.000 0.908 210 L HN 0.262 nan 8.230 nan 0.000 0.437 211 R N -0.323 120.154 120.500 -0.039 0.000 2.152 211 R HA -0.201 4.137 4.340 -0.003 0.000 0.232 211 R C 0.812 176.905 176.300 -0.345 0.000 1.117 211 R CA 1.334 57.316 56.100 -0.197 0.000 0.981 211 R CB -0.174 29.978 30.300 -0.246 0.000 0.870 211 R HN 0.389 nan 8.270 nan 0.000 0.451 212 W N 0.026 121.261 121.300 -0.108 0.000 3.015 212 W HA 0.322 4.980 4.660 -0.004 0.000 0.429 212 W C 0.644 177.145 176.519 -0.030 0.000 0.976 212 W CA 0.296 57.594 57.345 -0.079 0.000 2.086 212 W CB 0.385 29.782 29.460 -0.105 0.000 1.125 212 W HN 0.251 nan 8.180 nan 0.000 0.721 213 G N 1.750 110.617 108.800 0.113 0.000 2.298 213 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.287 213 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.287 213 G C -0.636 174.336 174.900 0.119 0.000 1.075 213 G CA -0.207 44.951 45.100 0.097 0.000 0.960 213 G HN 0.262 nan 8.290 nan 0.000 0.502 214 L N 0.833 122.120 121.223 0.107 0.000 2.441 214 L HA 0.528 4.866 4.340 -0.003 0.000 0.270 214 L C 0.564 177.472 176.870 0.063 0.000 0.973 214 L CA -0.573 54.326 54.840 0.098 0.000 0.842 214 L CB 2.269 44.387 42.059 0.097 0.000 1.239 214 L HN 0.356 nan 8.230 nan 0.000 0.406 215 T N -0.909 113.678 114.554 0.054 0.000 2.806 215 T HA 0.642 4.990 4.350 -0.003 0.000 0.290 215 T C 0.038 174.747 174.700 0.015 0.000 0.966 215 T CA -0.553 61.564 62.100 0.029 0.000 1.060 215 T CB 1.272 70.153 68.868 0.022 0.000 0.927 215 T HN 0.602 nan 8.240 nan 0.000 0.485 216 T N 0.956 115.511 114.554 0.002 0.000 2.893 216 T HA 0.648 4.996 4.350 -0.003 0.000 0.293 216 T C -3.049 171.645 174.700 -0.011 0.000 1.027 216 T CA -1.955 60.137 62.100 -0.013 0.000 0.988 216 T CB 1.536 70.387 68.868 -0.027 0.000 1.043 216 T HN 0.521 nan 8.240 nan 0.000 0.461 217 P HA 0.209 nan 4.420 nan 0.000 0.268 217 P C -0.630 176.692 177.300 0.036 0.000 1.205 217 P CA -0.068 63.042 63.100 0.017 0.000 0.771 217 P CB 0.508 32.229 31.700 0.036 0.000 0.858 218 D N 1.158 121.600 120.400 0.069 0.000 2.423 218 D HA 0.103 4.741 4.640 -0.003 0.000 0.255 218 D C 1.247 177.591 176.300 0.074 0.000 1.174 218 D CA -0.735 53.304 54.000 0.065 0.000 1.008 218 D CB 0.630 41.471 40.800 0.068 0.000 1.101 218 D HN 0.248 nan 8.370 nan 0.000 0.516 219 K N -0.129 120.302 120.400 0.051 0.000 2.137 219 K HA -0.321 3.997 4.320 -0.003 0.000 0.216 219 K C 1.775 178.396 176.600 0.034 0.000 1.052 219 K CA 2.711 59.024 56.287 0.044 0.000 0.939 219 K CB -0.142 32.380 32.500 0.037 0.000 0.724 219 K HN 0.628 nan 8.250 nan 0.000 0.465 220 K N -1.782 118.634 120.400 0.026 0.000 2.296 220 K HA -0.102 4.216 4.320 -0.003 0.000 0.200 220 K C 1.126 177.623 176.600 -0.172 0.000 1.048 220 K CA 1.567 57.814 56.287 -0.066 0.000 0.966 220 K CB -0.035 32.412 32.500 -0.089 0.000 0.754 220 K HN 0.326 nan 8.250 nan 0.000 0.466 221 H N 1.064 120.147 119.070 0.022 0.000 2.755 221 H HA 0.111 4.665 4.556 -0.003 0.000 0.273 221 H C -0.107 175.232 175.328 0.017 0.000 1.055 221 H CA -0.422 55.638 56.048 0.019 0.000 1.191 221 H CB 0.595 30.365 29.762 0.012 0.000 1.536 221 H HN 0.301 nan 8.280 nan 0.000 0.529 222 Q N 0.770 120.630 119.800 0.100 0.000 2.299 222 Q HA 0.240 4.578 4.340 -0.003 0.000 0.246 222 Q C -0.502 175.546 176.000 0.080 0.000 0.935 222 Q CA -0.744 55.097 55.803 0.064 0.000 0.887 222 Q CB 1.624 30.383 28.738 0.035 0.000 1.223 222 Q HN -0.057 nan 8.270 nan 0.000 0.439 223 K N 1.231 121.676 120.400 0.074 0.000 2.397 223 K HA 0.047 4.365 4.320 -0.003 0.000 0.265 223 K C -0.383 176.400 176.600 0.305 0.000 0.982 223 K CA 0.409 56.792 56.287 0.160 0.000 0.931 223 K CB 0.486 33.068 32.500 0.138 0.000 0.943 223 K HN 0.536 nan 8.250 nan 0.000 0.501 224 E N 1.376 121.768 120.200 0.319 0.000 2.227 224 E HA 0.297 4.645 4.350 -0.003 0.000 0.268 224 E C -2.385 174.258 176.600 0.070 0.000 0.907 224 E CA -2.338 54.205 56.400 0.239 0.000 0.786 224 E CB 1.546 31.310 29.700 0.106 0.000 1.191 224 E HN 0.323 nan 8.360 nan 0.000 0.411 225 P HA 0.041 nan 4.420 nan 0.000 0.266 225 P C -2.394 174.697 177.300 -0.350 0.000 1.195 225 P CA -0.726 61.949 63.100 -0.709 0.000 0.768 225 P CB -0.133 31.272 31.700 -0.491 0.000 0.838 226 P HA 0.287 nan 4.420 nan 0.000 0.281 226 P C -1.113 175.981 177.300 -0.344 0.000 1.249 226 P CA -0.243 62.451 63.100 -0.678 0.000 0.810 226 P CB 0.537 31.715 31.700 -0.869 0.000 1.008 227 F N 1.039 121.012 119.950 0.039 0.000 2.410 227 F HA 0.260 4.786 4.527 -0.002 0.000 0.349 227 F C 0.500 176.433 175.800 0.222 0.000 1.117 227 F CA -1.050 57.051 58.000 0.169 0.000 1.104 227 F CB 0.269 39.448 39.000 0.298 0.000 1.122 227 F HN 0.006 nan 8.300 nan 0.000 0.483 228 L N 3.525 124.997 121.223 0.415 0.000 2.361 228 L HA 0.198 4.536 4.340 -0.003 0.000 0.278 228 L C -0.920 176.228 176.870 0.464 0.000 1.113 228 L CA -0.377 54.676 54.840 0.355 0.000 0.849 228 L CB 0.137 42.340 42.059 0.242 0.000 1.155 228 L HN 0.744 nan 8.230 nan 0.000 0.452 229 W N 6.514 127.943 121.300 0.216 0.000 3.216 229 W HA 0.388 5.047 4.660 -0.002 0.000 0.335 229 W C 0.194 176.799 176.519 0.144 0.000 1.077 229 W CA -1.080 56.353 57.345 0.147 0.000 1.252 229 W CB 0.864 30.356 29.460 0.053 0.000 1.312 229 W HN 0.526 nan 8.180 nan 0.000 0.446 230 M N 5.797 125.074 119.600 -0.539 0.000 2.612 230 M HA -0.219 4.259 4.480 -0.003 0.000 0.194 230 M C 1.066 177.089 176.300 -0.462 0.000 0.530 230 M CA 2.401 57.298 55.300 -0.673 0.000 0.548 230 M CB -1.097 30.716 32.600 -1.311 0.000 2.013 230 M HN 1.677 nan 8.290 nan 0.000 0.711 231 G N -0.906 107.737 108.800 -0.261 0.000 2.142 231 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.225 231 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.225 231 G C -0.595 174.307 174.900 0.004 0.000 1.015 231 G CA 0.183 45.161 45.100 -0.204 0.000 0.716 231 G HN 0.685 nan 8.290 nan 0.000 0.508 232 Y N -0.359 120.136 120.300 0.326 0.000 2.570 232 Y HA 0.678 5.226 4.550 -0.003 0.000 0.345 232 Y C 0.415 176.515 175.900 0.332 0.000 1.014 232 Y CA -1.259 57.069 58.100 0.379 0.000 1.063 232 Y CB 1.461 40.148 38.460 0.379 0.000 1.272 232 Y HN 0.148 nan 8.280 nan 0.000 0.477 233 E N 2.027 122.533 120.200 0.511 0.000 2.166 233 E HA 0.574 4.922 4.350 -0.003 0.000 0.275 233 E C -1.500 175.310 176.600 0.350 0.000 0.941 233 E CA -0.606 55.996 56.400 0.338 0.000 0.784 233 E CB 1.507 31.368 29.700 0.268 0.000 1.115 233 E HN 0.433 nan 8.360 nan 0.000 0.399 234 L N 3.961 125.298 121.223 0.190 0.000 2.417 234 L HA 0.339 4.677 4.340 -0.003 0.000 0.259 234 L C -0.675 176.189 176.870 -0.010 0.000 1.023 234 L CA -0.643 54.334 54.840 0.229 0.000 0.901 234 L CB 0.415 42.625 42.059 0.252 0.000 1.227 234 L HN 0.512 nan 8.230 nan 0.000 0.454 235 H N 2.519 121.663 119.070 0.124 0.000 2.603 235 H HA 0.183 4.737 4.556 -0.004 0.000 0.370 235 H C -1.410 174.015 175.328 0.161 0.000 1.225 235 H CA -1.444 54.623 56.048 0.032 0.000 1.410 235 H CB 0.418 30.178 29.762 -0.003 0.000 1.495 235 H HN 0.278 nan 8.280 nan 0.000 0.602 236 P HA -0.148 nan 4.420 nan 0.000 0.222 236 P C 0.294 177.757 177.300 0.271 0.000 1.147 236 P CA 1.484 64.673 63.100 0.148 0.000 0.790 236 P CB 0.452 32.187 31.700 0.057 0.000 0.780 237 D N -1.343 119.256 120.400 0.332 0.000 2.479 237 D HA 0.027 4.665 4.640 -0.003 0.000 0.216 237 D C 0.664 177.095 176.300 0.217 0.000 1.110 237 D CA 0.249 54.446 54.000 0.329 0.000 0.841 237 D CB 0.187 41.060 40.800 0.123 0.000 1.040 237 D HN 0.259 nan 8.370 nan 0.000 0.505 238 K N -0.482 119.987 120.400 0.115 0.000 2.466 238 K HA 0.543 4.861 4.320 -0.003 0.000 0.260 238 K C -1.058 175.501 176.600 -0.069 0.000 1.011 238 K CA -0.951 55.192 56.287 -0.239 0.000 0.871 238 K CB 2.112 34.399 32.500 -0.355 0.000 1.404 238 K HN 0.178 nan 8.250 nan 0.000 0.450 239 W N -0.260 120.870 121.300 -0.283 0.000 3.118 239 W HA 0.652 5.309 4.660 -0.006 0.000 0.328 239 W C -1.867 174.681 176.519 0.049 0.000 1.239 239 W CA -0.839 56.487 57.345 -0.031 0.000 1.176 239 W CB 1.391 30.799 29.460 -0.087 0.000 1.433 239 W HN 0.738 nan 8.180 nan 0.000 0.562 240 T N 0.601 115.318 114.554 0.271 0.000 2.769 240 T HA 0.459 4.806 4.350 -0.003 0.000 0.306 240 T C -0.772 174.225 174.700 0.495 0.000 1.400 240 T CA -0.305 61.836 62.100 0.069 0.000 1.007 240 T CB 1.206 70.083 68.868 0.014 0.000 1.392 240 T HN 0.856 nan 8.240 nan 0.000 0.500 241 V N 1.504 121.659 119.914 0.401 0.000 2.924 241 V HA 0.525 4.643 4.120 -0.003 0.000 0.305 241 V C 0.489 176.802 176.094 0.364 0.000 1.073 241 V CA -0.590 61.962 62.300 0.419 0.000 1.098 241 V CB 0.314 32.263 31.823 0.210 0.000 1.000 241 V HN 0.937 nan 8.190 nan 0.000 0.484 242 Q N 2.502 122.518 119.800 0.359 0.000 2.392 242 Q HA 0.254 4.592 4.340 -0.003 0.000 0.262 242 Q C -2.225 173.899 176.000 0.207 0.000 1.003 242 Q CA -1.371 54.583 55.803 0.250 0.000 0.888 242 Q CB 0.138 28.986 28.738 0.184 0.000 1.260 242 Q HN 0.627 nan 8.270 nan 0.000 0.435 243 P HA -0.139 nan 4.420 nan 0.000 0.255 243 P C -1.129 176.222 177.300 0.085 0.000 1.151 243 P CA 0.817 63.985 63.100 0.113 0.000 0.767 243 P CB 0.106 31.858 31.700 0.087 0.000 0.736 244 I N 4.307 124.912 120.570 0.060 0.000 2.315 244 I HA 0.248 4.416 4.170 -0.003 0.000 0.291 244 I C 0.252 176.368 176.117 -0.002 0.000 1.006 244 I CA -0.215 61.098 61.300 0.022 0.000 1.265 244 I CB 1.582 39.562 38.000 -0.032 0.000 1.387 244 I HN 0.048 nan 8.210 nan 0.000 0.475 245 V N 8.222 128.144 119.914 0.013 0.000 2.380 245 V HA 0.461 4.579 4.120 -0.003 0.000 0.286 245 V C -0.590 175.524 176.094 0.034 0.000 1.015 245 V CA -0.547 61.762 62.300 0.015 0.000 0.834 245 V CB 1.217 33.051 31.823 0.017 0.000 1.009 245 V HN 0.517 nan 8.190 nan 0.000 0.428 246 L N 9.415 130.663 121.223 0.043 0.000 2.295 246 L HA 0.493 4.831 4.340 -0.003 0.000 0.288 246 L C -1.887 175.060 176.870 0.128 0.000 1.079 246 L CA -1.554 53.348 54.840 0.102 0.000 0.830 246 L CB 0.722 42.834 42.059 0.088 0.000 1.200 246 L HN 0.452 nan 8.230 nan 0.000 0.438 247 P HA 0.058 nan 4.420 nan 0.000 0.271 247 P C -0.726 176.627 177.300 0.088 0.000 1.216 247 P CA -0.332 62.791 63.100 0.038 0.000 0.776 247 P CB 0.673 32.330 31.700 -0.072 0.000 0.881 248 E N 3.271 123.498 120.200 0.044 0.000 2.105 248 E HA 0.241 4.589 4.350 -0.003 0.000 0.285 248 E C -0.534 176.019 176.600 -0.079 0.000 1.055 248 E CA -0.495 55.952 56.400 0.078 0.000 0.843 248 E CB 0.868 30.611 29.700 0.072 0.000 1.067 248 E HN 0.403 nan 8.360 nan 0.000 0.398 249 K N 3.013 123.291 120.400 -0.203 0.000 2.259 249 K HA 0.195 4.513 4.320 -0.003 0.000 0.249 249 K C -0.208 176.265 176.600 -0.212 0.000 0.942 249 K CA -0.873 55.151 56.287 -0.438 0.000 0.816 249 K CB 1.554 33.397 32.500 -1.094 0.000 1.155 249 K HN 0.232 nan 8.250 nan 0.000 0.428 250 D N 0.713 121.020 120.400 -0.155 0.000 2.097 250 D HA -0.071 4.567 4.640 -0.003 0.000 0.197 250 D C -0.040 176.241 176.300 -0.032 0.000 0.984 250 D CA 1.413 55.382 54.000 -0.053 0.000 0.826 250 D CB 0.247 41.016 40.800 -0.051 0.000 0.973 250 D HN 0.318 nan 8.370 nan 0.000 0.460 251 S N -0.717 114.902 115.700 -0.136 0.000 2.500 251 S HA 0.474 4.942 4.470 -0.003 0.000 0.301 251 S C -1.114 173.362 174.600 -0.206 0.000 1.092 251 S CA -0.807 57.355 58.200 -0.064 0.000 1.030 251 S CB 1.411 64.584 63.200 -0.045 0.000 1.031 251 S HN 0.122 nan 8.310 nan 0.000 0.483 252 W N 2.358 123.652 121.300 -0.010 0.000 2.361 252 W HA 0.440 5.097 4.660 -0.004 0.000 0.314 252 W C 0.751 177.264 176.519 -0.010 0.000 1.041 252 W CA -0.557 56.782 57.345 -0.011 0.000 1.241 252 W CB 1.126 30.579 29.460 -0.011 0.000 1.279 252 W HN 0.706 nan 8.180 nan 0.000 0.436 253 T N -1.343 113.299 114.554 0.147 0.000 2.874 253 T HA 0.216 4.564 4.350 -0.003 0.000 0.281 253 T C 1.022 175.798 174.700 0.128 0.000 0.994 253 T CA -0.752 61.407 62.100 0.098 0.000 1.015 253 T CB 1.356 70.243 68.868 0.033 0.000 1.028 253 T HN 0.193 nan 8.240 nan 0.000 0.523 254 V N 1.813 121.775 119.914 0.081 0.000 2.278 254 V HA -0.234 3.884 4.120 -0.003 0.000 0.251 254 V C 2.886 179.022 176.094 0.069 0.000 1.062 254 V CA 2.549 64.888 62.300 0.066 0.000 1.038 254 V CB -1.355 30.491 31.823 0.038 0.000 0.646 254 V HN 1.006 nan 8.190 nan 0.000 0.447 255 N N 0.335 119.067 118.700 0.054 0.000 2.104 255 N HA -0.200 4.538 4.740 -0.003 0.000 0.190 255 N C 1.511 177.065 175.510 0.073 0.000 1.024 255 N CA 1.967 55.044 53.050 0.044 0.000 0.853 255 N CB -0.308 38.191 38.487 0.020 0.000 1.008 255 N HN 0.510 nan 8.380 nan 0.000 0.424 256 D N 0.024 120.490 120.400 0.110 0.000 2.097 256 D HA -0.114 4.524 4.640 -0.003 0.000 0.195 256 D C 2.055 178.546 176.300 0.319 0.000 0.989 256 D CA 0.974 55.090 54.000 0.192 0.000 0.827 256 D CB -0.283 40.627 40.800 0.184 0.000 0.966 256 D HN 0.419 nan 8.370 nan 0.000 0.456 257 I N 0.894 121.637 120.570 0.289 0.000 2.226 257 I HA -0.273 3.895 4.170 -0.003 0.000 0.245 257 I C 2.583 178.747 176.117 0.077 0.000 1.100 257 I CA 1.034 62.422 61.300 0.146 0.000 1.374 257 I CB -0.251 37.788 38.000 0.066 0.000 1.057 257 I HN -0.034 nan 8.210 nan 0.000 0.413 258 Q N 0.774 120.616 119.800 0.070 0.000 2.096 258 Q HA -0.251 4.087 4.340 -0.003 0.000 0.204 258 Q C 2.229 178.254 176.000 0.043 0.000 0.982 258 Q CA 1.679 57.507 55.803 0.042 0.000 0.850 258 Q CB -0.058 28.699 28.738 0.031 0.000 0.901 258 Q HN 0.441 nan 8.270 nan 0.000 0.422 259 K N 0.325 120.761 120.400 0.060 0.000 2.148 259 K HA -0.082 4.236 4.320 -0.003 0.000 0.204 259 K C 2.020 178.660 176.600 0.067 0.000 1.050 259 K CA 0.673 56.990 56.287 0.050 0.000 0.942 259 K CB -0.046 32.484 32.500 0.049 0.000 0.724 259 K HN 0.184 nan 8.250 nan 0.000 0.446 260 L N 0.683 121.969 121.223 0.104 0.000 2.005 260 L HA -0.194 4.144 4.340 -0.003 0.000 0.207 260 L C 2.116 179.007 176.870 0.035 0.000 1.072 260 L CA 1.268 56.160 54.840 0.087 0.000 0.744 260 L CB -0.244 41.864 42.059 0.081 0.000 0.895 260 L HN 0.010 nan 8.230 nan 0.000 0.433 261 V N 0.247 120.172 119.914 0.018 0.000 2.324 261 V HA -0.290 3.828 4.120 -0.003 0.000 0.250 261 V C 2.633 178.750 176.094 0.039 0.000 1.060 261 V CA 2.041 64.348 62.300 0.012 0.000 1.042 261 V CB -1.405 30.420 31.823 0.003 0.000 0.650 261 V HN 0.673 nan 8.190 nan 0.000 0.450 262 G N -0.596 108.229 108.800 0.042 0.000 2.418 262 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.217 262 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.217 262 G C 1.671 176.626 174.900 0.091 0.000 1.158 262 G CA 0.933 46.064 45.100 0.052 0.000 0.771 262 G HN 0.485 nan 8.290 nan 0.000 0.545 263 K N -0.192 120.252 120.400 0.073 0.000 2.057 263 K HA 0.093 4.411 4.320 -0.003 0.000 0.207 263 K C 2.525 179.204 176.600 0.131 0.000 1.049 263 K CA 0.742 57.092 56.287 0.104 0.000 0.931 263 K CB -0.274 32.264 32.500 0.062 0.000 0.714 263 K HN 0.255 nan 8.250 nan 0.000 0.440 264 L N 1.138 122.404 121.223 0.073 0.000 1.994 264 L HA -0.214 4.124 4.340 -0.003 0.000 0.208 264 L C 2.043 178.959 176.870 0.078 0.000 1.071 264 L CA 0.982 55.848 54.840 0.043 0.000 0.745 264 L CB -0.631 41.430 42.059 0.004 0.000 0.892 264 L HN 0.216 nan 8.230 nan 0.000 0.431 265 N N -0.397 118.363 118.700 0.100 0.000 2.091 265 N HA -0.283 4.455 4.740 -0.003 0.000 0.193 265 N C 1.490 177.114 175.510 0.189 0.000 1.021 265 N CA 1.620 54.746 53.050 0.126 0.000 0.862 265 N CB -0.394 38.172 38.487 0.131 0.000 1.018 265 N HN 0.520 nan 8.380 nan 0.000 0.429 266 W N 1.654 122.971 121.300 0.027 0.000 2.378 266 W HA -0.076 4.582 4.660 -0.003 0.000 0.313 266 W C 2.134 178.708 176.519 0.092 0.000 1.197 266 W CA 1.506 58.874 57.345 0.037 0.000 1.304 266 W CB -0.241 29.210 29.460 -0.016 0.000 1.148 266 W HN 0.069 nan 8.180 nan 0.000 0.494 267 A N 0.972 123.872 122.820 0.133 0.000 1.948 267 A HA -0.302 4.016 4.320 -0.003 0.000 0.220 267 A C 1.937 179.588 177.584 0.112 0.000 1.177 267 A CA 2.713 54.799 52.037 0.081 0.000 0.636 267 A CB -1.421 17.562 19.000 -0.028 0.000 0.815 267 A HN 0.418 nan 8.150 nan 0.000 0.449 268 S N -0.537 115.200 115.700 0.061 0.000 2.537 268 S HA -0.206 4.262 4.470 -0.003 0.000 0.240 268 S C 1.586 176.196 174.600 0.016 0.000 0.981 268 S CA 1.292 59.520 58.200 0.046 0.000 0.948 268 S CB -0.550 62.664 63.200 0.024 0.000 0.759 268 S HN 0.710 nan 8.310 nan 0.000 0.531 269 Q N -0.611 119.200 119.800 0.019 0.000 2.291 269 Q HA 0.173 4.511 4.340 -0.003 0.000 0.205 269 Q C 1.416 177.507 176.000 0.152 0.000 0.970 269 Q CA 1.073 56.932 55.803 0.095 0.000 0.876 269 Q CB -0.026 28.799 28.738 0.145 0.000 0.935 269 Q HN 0.652 nan 8.270 nan 0.000 0.455 270 I N -2.387 118.214 120.570 0.051 0.000 5.046 270 I HA 0.064 4.232 4.170 -0.003 0.000 0.341 270 I C -0.938 175.024 176.117 -0.259 0.000 1.257 270 I CA -0.108 61.106 61.300 -0.142 0.000 1.421 270 I CB 0.929 38.693 38.000 -0.394 0.000 1.495 270 I HN -0.123 nan 8.210 nan 0.000 0.518 271 Y N 4.034 124.278 120.300 -0.094 0.000 2.383 271 Y HA 0.493 5.042 4.550 -0.002 0.000 0.344 271 Y C -2.139 173.712 175.900 -0.082 0.000 0.986 271 Y CA -2.461 55.586 58.100 -0.088 0.000 1.175 271 Y CB 0.326 38.748 38.460 -0.064 0.000 1.152 271 Y HN 0.037 nan 8.280 nan 0.000 0.511 272 P HA 0.212 nan 4.420 nan 0.000 0.279 272 P C 0.663 177.966 177.300 0.004 0.000 1.239 272 P CA 0.227 63.317 63.100 -0.016 0.000 0.789 272 P CB 1.222 32.895 31.700 -0.046 0.000 0.933 273 G N 2.234 111.028 108.800 -0.010 0.000 2.157 273 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.248 273 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.248 273 G C 0.235 175.129 174.900 -0.010 0.000 0.979 273 G CA -0.553 44.540 45.100 -0.012 0.000 0.650 273 G HN 0.467 nan 8.290 nan 0.000 0.529 274 I N 0.769 121.340 120.570 0.002 0.000 2.826 274 I HA 0.150 4.318 4.170 -0.003 0.000 0.295 274 I C 0.848 176.956 176.117 -0.014 0.000 1.213 274 I CA 1.094 62.391 61.300 -0.005 0.000 1.436 274 I CB 0.474 38.479 38.000 0.007 0.000 1.348 274 I HN 0.177 nan 8.210 nan 0.000 0.570 275 K N 4.171 124.555 120.400 -0.027 0.000 2.385 275 K HA 0.570 4.888 4.320 -0.003 0.000 0.248 275 K C -0.043 176.533 176.600 -0.040 0.000 0.955 275 K CA -0.525 55.742 56.287 -0.033 0.000 0.816 275 K CB 2.940 35.413 32.500 -0.045 0.000 1.250 275 K HN 0.306 nan 8.250 nan 0.000 0.434 276 V N 2.035 121.926 119.914 -0.038 0.000 3.623 276 V HA 0.053 4.171 4.120 -0.003 0.000 0.283 276 V C 1.395 177.462 176.094 -0.046 0.000 1.643 276 V CA 0.157 62.432 62.300 -0.042 0.000 1.121 276 V CB 0.363 32.172 31.823 -0.022 0.000 0.933 276 V HN 0.743 nan 8.190 nan 0.000 0.420 277 R N 0.036 120.509 120.500 -0.045 0.000 2.081 277 R HA -0.160 4.178 4.340 -0.003 0.000 0.235 277 R C 2.034 178.302 176.300 -0.052 0.000 1.131 277 R CA 2.142 58.215 56.100 -0.045 0.000 0.960 277 R CB 0.113 30.386 30.300 -0.045 0.000 0.856 277 R HN 0.434 nan 8.270 nan 0.000 0.436 278 Q N -0.042 119.720 119.800 -0.063 0.000 2.137 278 Q HA -0.061 4.277 4.340 -0.003 0.000 0.198 278 Q C 2.063 178.013 176.000 -0.084 0.000 0.960 278 Q CA 0.709 56.470 55.803 -0.070 0.000 0.847 278 Q CB -0.041 28.651 28.738 -0.076 0.000 0.915 278 Q HN 0.301 nan 8.270 nan 0.000 0.448 279 L N -0.077 121.087 121.223 -0.097 0.000 2.056 279 L HA -0.160 4.178 4.340 -0.003 0.000 0.207 279 L C 2.484 179.308 176.870 -0.076 0.000 1.078 279 L CA 1.154 55.925 54.840 -0.114 0.000 0.749 279 L CB -1.492 40.486 42.059 -0.134 0.000 0.901 279 L HN 0.262 nan 8.230 nan 0.000 0.433 280 C N -0.175 119.091 119.300 -0.056 0.000 2.432 280 C HA -0.189 4.269 4.460 -0.003 0.000 0.277 280 C C 2.824 177.793 174.990 -0.034 0.000 1.249 280 C CA 0.591 59.586 59.018 -0.038 0.000 1.725 280 C CB -0.521 27.200 27.740 -0.031 0.000 2.028 280 C HN 0.465 nan 8.230 nan 0.000 0.477 281 K N 0.189 120.566 120.400 -0.039 0.000 2.144 281 K HA -0.218 4.100 4.320 -0.003 0.000 0.209 281 K C 1.633 178.215 176.600 -0.029 0.000 1.047 281 K CA 1.445 57.712 56.287 -0.033 0.000 0.927 281 K CB -0.287 32.190 32.500 -0.038 0.000 0.716 281 K HN 0.548 nan 8.250 nan 0.000 0.454 282 L N 0.364 121.566 121.223 -0.035 0.000 2.141 282 L HA -0.169 4.169 4.340 -0.003 0.000 0.209 282 L C 2.019 178.881 176.870 -0.014 0.000 1.094 282 L CA 0.861 55.684 54.840 -0.027 0.000 0.763 282 L CB -0.363 41.673 42.059 -0.038 0.000 0.908 282 L HN 0.171 nan 8.230 nan 0.000 0.437 283 L N -0.204 121.011 121.223 -0.014 0.000 2.478 283 L HA -0.044 4.294 4.340 -0.003 0.000 0.223 283 L C 1.400 178.268 176.870 -0.004 0.000 1.140 283 L CA -0.193 54.644 54.840 -0.004 0.000 0.842 283 L CB -0.441 41.615 42.059 -0.004 0.000 0.953 283 L HN 0.224 nan 8.230 nan 0.000 0.452 284 R N 1.678 122.174 120.500 -0.008 0.000 2.640 284 R HA 0.115 4.453 4.340 -0.003 0.000 0.270 284 R C 0.925 177.223 176.300 -0.003 0.000 1.024 284 R CA 0.625 56.721 56.100 -0.007 0.000 1.085 284 R CB -0.091 30.203 30.300 -0.010 0.000 0.963 284 R HN 0.204 nan 8.270 nan 0.000 0.426 285 G N 2.791 111.590 108.800 -0.002 0.000 2.421 285 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.300 285 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.300 285 G C 0.299 175.199 174.900 0.001 0.000 0.974 285 G CA 0.864 45.964 45.100 -0.000 0.000 1.062 285 G HN 0.914 nan 8.290 nan 0.000 0.514 286 T N -1.219 113.337 114.554 0.002 0.000 2.900 286 T HA 0.655 5.003 4.350 -0.003 0.000 0.326 286 T C 0.996 175.699 174.700 0.005 0.000 1.145 286 T CA 0.878 62.981 62.100 0.004 0.000 0.963 286 T CB 0.396 69.267 68.868 0.006 0.000 1.512 286 T HN 0.533 nan 8.240 nan 0.000 0.552 287 K N -0.683 119.722 120.400 0.008 0.000 2.137 287 K HA 0.770 5.088 4.320 -0.003 0.000 0.251 287 K C -0.651 175.954 176.600 0.009 0.000 1.048 287 K CA -0.593 55.698 56.287 0.008 0.000 0.873 287 K CB 0.120 32.626 32.500 0.010 0.000 1.442 287 K HN 0.656 nan 8.250 nan 0.000 0.467 288 A N 0.624 123.449 122.820 0.008 0.000 2.448 288 A HA 0.134 4.452 4.320 -0.003 0.000 0.239 288 A C 0.978 178.568 177.584 0.010 0.000 1.080 288 A CA 0.030 52.071 52.037 0.007 0.000 0.779 288 A CB -0.463 18.540 19.000 0.005 0.000 1.026 288 A HN 0.679 nan 8.150 nan 0.000 0.499 289 L N 0.806 122.034 121.223 0.008 0.000 2.129 289 L HA -0.206 4.132 4.340 -0.003 0.000 0.212 289 L C 2.554 179.431 176.870 0.013 0.000 1.087 289 L CA 2.162 57.008 54.840 0.010 0.000 0.757 289 L CB -0.445 41.617 42.059 0.004 0.000 0.896 289 L HN 0.969 nan 8.230 nan 0.000 0.434 290 T N -4.546 110.013 114.554 0.008 0.000 3.086 290 T HA 0.036 4.384 4.350 -0.003 0.000 0.250 290 T C 0.676 175.382 174.700 0.010 0.000 1.074 290 T CA -0.343 61.760 62.100 0.005 0.000 0.988 290 T CB -0.084 68.783 68.868 -0.003 0.000 0.988 290 T HN 0.222 nan 8.240 nan 0.000 0.530 291 E N 1.671 121.880 120.200 0.015 0.000 2.344 291 E HA 0.258 4.606 4.350 -0.003 0.000 0.270 291 E C -0.775 175.845 176.600 0.033 0.000 1.021 291 E CA -0.393 56.019 56.400 0.020 0.000 0.887 291 E CB 0.817 30.527 29.700 0.018 0.000 0.997 291 E HN 0.079 nan 8.360 nan 0.000 0.429 292 V N 6.474 126.408 119.914 0.034 0.000 2.470 292 V HA 0.051 4.169 4.120 -0.003 0.000 0.276 292 V C 0.275 176.406 176.094 0.062 0.000 1.040 292 V CA -0.210 62.122 62.300 0.054 0.000 1.008 292 V CB 0.630 32.477 31.823 0.041 0.000 0.990 292 V HN 0.560 nan 8.190 nan 0.000 0.477 293 I N 7.848 128.472 120.570 0.090 0.000 2.297 293 I HA 0.345 4.513 4.170 -0.003 0.000 0.291 293 I C -2.190 173.978 176.117 0.085 0.000 1.033 293 I CA -2.696 58.647 61.300 0.072 0.000 1.253 293 I CB 1.044 39.079 38.000 0.059 0.000 1.396 293 I HN 0.398 nan 8.210 nan 0.000 0.476 294 P HA 0.181 nan 4.420 nan 0.000 0.267 294 P C -0.230 177.083 177.300 0.023 0.000 1.205 294 P CA -0.252 62.879 63.100 0.052 0.000 0.765 294 P CB 0.574 32.293 31.700 0.032 0.000 0.828 295 L N 2.951 124.184 121.223 0.016 0.000 2.361 295 L HA 0.107 4.445 4.340 -0.003 0.000 0.278 295 L C 1.111 177.955 176.870 -0.044 0.000 1.113 295 L CA 0.026 54.835 54.840 -0.051 0.000 0.849 295 L CB 0.097 42.094 42.059 -0.103 0.000 1.155 295 L HN 0.372 nan 8.230 nan 0.000 0.452 296 T N 2.748 117.268 114.554 -0.056 0.000 2.937 296 T HA -0.066 4.282 4.350 -0.003 0.000 0.316 296 T C 1.310 175.978 174.700 -0.053 0.000 1.079 296 T CA -0.201 61.870 62.100 -0.048 0.000 1.131 296 T CB 0.753 69.590 68.868 -0.051 0.000 1.000 296 T HN 0.610 nan 8.240 nan 0.000 0.549 297 E N 2.189 122.365 120.200 -0.040 0.000 2.097 297 E HA -0.175 4.173 4.350 -0.003 0.000 0.196 297 E C 1.894 178.465 176.600 -0.049 0.000 1.000 297 E CA 1.668 58.045 56.400 -0.039 0.000 0.804 297 E CB 0.113 29.796 29.700 -0.029 0.000 0.740 297 E HN 0.633 nan 8.360 nan 0.000 0.454 298 E N 0.358 120.527 120.200 -0.051 0.000 2.150 298 E HA -0.095 4.253 4.350 -0.003 0.000 0.193 298 E C 1.835 178.391 176.600 -0.073 0.000 0.985 298 E CA 1.030 57.397 56.400 -0.056 0.000 0.814 298 E CB -0.262 29.406 29.700 -0.052 0.000 0.752 298 E HN 0.266 nan 8.360 nan 0.000 0.466 299 A N 1.316 124.084 122.820 -0.086 0.000 1.898 299 A HA -0.188 4.130 4.320 -0.003 0.000 0.216 299 A C 1.999 179.500 177.584 -0.139 0.000 1.181 299 A CA 1.220 53.184 52.037 -0.122 0.000 0.620 299 A CB -0.288 18.627 19.000 -0.142 0.000 0.819 299 A HN 0.060 nan 8.150 nan 0.000 0.442 300 E N 0.053 120.184 120.200 -0.114 0.000 2.110 300 E HA -0.161 4.187 4.350 -0.003 0.000 0.193 300 E C 2.019 178.572 176.600 -0.079 0.000 0.988 300 E CA 1.093 57.433 56.400 -0.099 0.000 0.804 300 E CB -0.354 29.308 29.700 -0.062 0.000 0.745 300 E HN 0.687 nan 8.360 nan 0.000 0.458 301 L N 0.500 121.682 121.223 -0.068 0.000 2.056 301 L HA -0.143 4.195 4.340 -0.003 0.000 0.207 301 L C 2.584 179.414 176.870 -0.065 0.000 1.078 301 L CA 1.075 55.881 54.840 -0.057 0.000 0.749 301 L CB -0.313 41.717 42.059 -0.050 0.000 0.901 301 L HN 0.090 nan 8.230 nan 0.000 0.433 302 E N 0.454 120.606 120.200 -0.079 0.000 2.077 302 E HA -0.230 4.118 4.350 -0.003 0.000 0.193 302 E C 2.379 178.924 176.600 -0.092 0.000 0.989 302 E CA 0.924 57.274 56.400 -0.083 0.000 0.800 302 E CB 0.013 29.657 29.700 -0.092 0.000 0.746 302 E HN 0.393 nan 8.360 nan 0.000 0.452 303 L N 0.145 121.297 121.223 -0.118 0.000 2.046 303 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 303 L C 2.449 179.273 176.870 -0.076 0.000 1.077 303 L CA 1.262 56.027 54.840 -0.126 0.000 0.747 303 L CB -0.348 41.602 42.059 -0.183 0.000 0.896 303 L HN 0.224 nan 8.230 nan 0.000 0.432 304 A N -0.493 122.290 122.820 -0.062 0.000 1.902 304 A HA -0.253 4.065 4.320 -0.003 0.000 0.217 304 A C 2.051 179.611 177.584 -0.039 0.000 1.181 304 A CA 1.736 53.749 52.037 -0.040 0.000 0.623 304 A CB -0.505 18.475 19.000 -0.034 0.000 0.818 304 A HN 0.500 nan 8.150 nan 0.000 0.443 305 E N -0.164 120.008 120.200 -0.046 0.000 2.058 305 E HA -0.199 4.149 4.350 -0.003 0.000 0.194 305 E C 1.835 178.409 176.600 -0.043 0.000 0.997 305 E CA 1.245 57.620 56.400 -0.042 0.000 0.801 305 E CB -0.199 29.473 29.700 -0.046 0.000 0.746 305 E HN 0.558 nan 8.360 nan 0.000 0.450 306 N N 0.676 119.344 118.700 -0.053 0.000 2.120 306 N HA -0.123 4.615 4.740 -0.003 0.000 0.188 306 N C 1.742 177.214 175.510 -0.064 0.000 1.024 306 N CA 0.848 53.862 53.050 -0.060 0.000 0.852 306 N CB -0.245 38.200 38.487 -0.070 0.000 1.003 306 N HN 0.139 nan 8.380 nan 0.000 0.424 307 R N 0.798 121.268 120.500 -0.050 0.000 2.096 307 R HA -0.167 4.171 4.340 -0.003 0.000 0.240 307 R C 2.010 178.290 176.300 -0.034 0.000 1.139 307 R CA 1.355 57.432 56.100 -0.038 0.000 0.952 307 R CB -0.299 29.990 30.300 -0.018 0.000 0.854 307 R HN 0.269 nan 8.270 nan 0.000 0.436 308 E N 1.237 121.421 120.200 -0.028 0.000 2.085 308 E HA -0.160 4.188 4.350 -0.003 0.000 0.194 308 E C 1.811 178.405 176.600 -0.011 0.000 0.994 308 E CA 1.376 57.765 56.400 -0.019 0.000 0.801 308 E CB -0.249 29.439 29.700 -0.021 0.000 0.743 308 E HN 0.326 nan 8.360 nan 0.000 0.453 309 I N 0.018 120.580 120.570 -0.013 0.000 2.315 309 I HA -0.211 3.957 4.170 -0.003 0.000 0.248 309 I C 1.730 177.875 176.117 0.046 0.000 1.117 309 I CA 0.849 62.163 61.300 0.023 0.000 1.404 309 I CB -0.123 37.891 38.000 0.023 0.000 1.071 309 I HN 0.114 nan 8.210 nan 0.000 0.419 310 L N 0.412 121.594 121.223 -0.069 0.000 2.645 310 L HA -0.004 4.334 4.340 -0.003 0.000 0.235 310 L C 2.005 178.852 176.870 -0.038 0.000 1.150 310 L CA -0.076 54.661 54.840 -0.171 0.000 0.911 310 L CB -0.418 41.465 42.059 -0.293 0.000 1.077 310 L HN 0.083 nan 8.230 nan 0.000 0.438 311 K N 1.944 122.348 120.400 0.007 0.000 1.977 311 K HA -0.169 4.149 4.320 -0.003 0.000 0.218 311 K C 0.447 177.068 176.600 0.035 0.000 1.051 311 K CA 1.597 57.893 56.287 0.014 0.000 0.953 311 K CB 0.012 32.519 32.500 0.011 0.000 0.727 311 K HN 0.365 nan 8.250 nan 0.000 0.445 312 E N -0.064 120.171 120.200 0.058 0.000 2.207 312 E HA 0.415 4.763 4.350 -0.003 0.000 0.270 312 E C -2.552 174.120 176.600 0.119 0.000 0.927 312 E CA -2.878 53.559 56.400 0.062 0.000 0.799 312 E CB 0.288 30.003 29.700 0.026 0.000 1.172 312 E HN -0.064 nan 8.360 nan 0.000 0.404 313 P HA 0.122 nan 4.420 nan 0.000 0.266 313 P C -0.929 176.356 177.300 -0.024 0.000 1.195 313 P CA -0.228 62.956 63.100 0.139 0.000 0.768 313 P CB 0.525 32.291 31.700 0.110 0.000 0.838 314 V N 3.596 123.374 119.914 -0.226 0.000 2.656 314 V HA 0.400 4.518 4.120 -0.003 0.000 0.307 314 V C 0.132 175.888 176.094 -0.564 0.000 1.051 314 V CA -0.637 61.330 62.300 -0.555 0.000 0.893 314 V CB 1.692 33.027 31.823 -0.813 0.000 0.999 314 V HN 0.715 nan 8.190 nan 0.000 0.426 315 H N 1.726 120.531 119.070 -0.442 0.000 2.754 315 H HA 0.847 5.402 4.556 -0.002 0.000 0.352 315 H C -0.212 174.720 175.328 -0.660 0.000 1.213 315 H CA -0.838 54.890 56.048 -0.532 0.000 1.244 315 H CB 2.410 31.931 29.762 -0.401 0.000 1.843 315 H HN 0.768 nan 8.280 nan 0.000 0.587 316 G N 0.152 108.426 108.800 -0.876 0.000 2.432 316 G HA2 0.484 4.442 3.960 -0.003 0.000 0.331 316 G HA3 0.484 4.442 3.960 -0.003 0.000 0.331 316 G C -0.103 174.463 174.900 -0.557 0.000 1.170 316 G CA -0.434 44.135 45.100 -0.886 0.000 0.943 316 G HN 0.675 nan 8.290 nan 0.000 0.483 317 V N -0.906 118.923 119.914 -0.142 0.000 3.109 317 V HA 0.697 4.815 4.120 -0.003 0.000 0.317 317 V C -0.448 175.722 176.094 0.126 0.000 1.074 317 V CA -1.297 60.974 62.300 -0.050 0.000 1.033 317 V CB 0.980 32.821 31.823 0.030 0.000 1.111 317 V HN 0.557 nan 8.190 nan 0.000 0.458 318 Y N 0.159 120.642 120.300 0.304 0.000 2.408 318 Y HA 0.516 5.062 4.550 -0.007 0.000 0.324 318 Y C 0.013 176.079 175.900 0.277 0.000 1.302 318 Y CA -0.704 57.579 58.100 0.305 0.000 1.384 318 Y CB 0.559 39.144 38.460 0.209 0.000 1.367 318 Y HN 0.761 nan 8.280 nan 0.000 0.525 319 Y N 1.435 121.954 120.300 0.364 0.000 2.299 319 Y HA 0.277 4.826 4.550 -0.001 0.000 0.326 319 Y C -0.541 175.430 175.900 0.118 0.000 1.164 319 Y CA -1.118 57.109 58.100 0.212 0.000 1.234 319 Y CB 0.725 39.379 38.460 0.324 0.000 1.219 319 Y HN 0.510 nan 8.280 nan 0.000 0.497 320 D N 8.037 128.104 120.400 -0.555 0.000 2.440 320 D HA 0.269 4.907 4.640 -0.003 0.000 0.239 320 D C -2.094 173.616 176.300 -0.985 0.000 1.084 320 D CA -2.367 51.293 54.000 -0.566 0.000 0.843 320 D CB 2.121 42.768 40.800 -0.256 0.000 1.097 320 D HN 0.378 nan 8.370 nan 0.000 0.531 321 P HA -0.106 nan 4.420 nan 0.000 0.226 321 P C 1.004 178.162 177.300 -0.236 0.000 1.153 321 P CA 0.621 63.397 63.100 -0.540 0.000 0.777 321 P CB 0.238 31.819 31.700 -0.198 0.000 0.794 322 S N -2.218 113.354 115.700 -0.214 0.000 2.558 322 S HA 0.075 4.543 4.470 -0.003 0.000 0.217 322 S C 0.921 175.456 174.600 -0.108 0.000 0.975 322 S CA -0.045 58.083 58.200 -0.120 0.000 0.912 322 S CB -0.382 62.760 63.200 -0.096 0.000 0.776 322 S HN -0.016 nan 8.310 nan 0.000 0.526 323 K N 1.846 122.159 120.400 -0.144 0.000 2.156 323 K HA 0.454 4.772 4.320 -0.003 0.000 0.250 323 K C -0.845 175.699 176.600 -0.094 0.000 0.955 323 K CA -0.679 55.541 56.287 -0.111 0.000 0.855 323 K CB 0.687 33.117 32.500 -0.117 0.000 1.101 323 K HN 0.123 nan 8.250 nan 0.000 0.434 324 D N 1.096 121.441 120.400 -0.092 0.000 2.377 324 D HA 0.236 4.874 4.640 -0.003 0.000 0.245 324 D C 0.088 176.283 176.300 -0.175 0.000 1.196 324 D CA -0.152 53.782 54.000 -0.110 0.000 0.962 324 D CB 0.783 41.517 40.800 -0.110 0.000 1.127 324 D HN 0.183 nan 8.370 nan 0.000 0.471 325 L N 1.248 122.323 121.223 -0.247 0.000 2.309 325 L HA 0.369 4.707 4.340 -0.003 0.000 0.282 325 L C -0.247 176.357 176.870 -0.443 0.000 1.036 325 L CA -0.729 53.875 54.840 -0.393 0.000 0.806 325 L CB 1.344 43.088 42.059 -0.526 0.000 1.220 325 L HN 0.095 nan 8.230 nan 0.000 0.429 326 I N 2.629 122.851 120.570 -0.580 0.000 2.389 326 I HA 0.520 4.688 4.170 -0.003 0.000 0.288 326 I C 0.075 175.781 176.117 -0.686 0.000 0.999 326 I CA -0.585 60.306 61.300 -0.681 0.000 1.129 326 I CB 1.520 38.962 38.000 -0.931 0.000 1.288 326 I HN 0.590 nan 8.210 nan 0.000 0.444 327 A N 6.243 128.730 122.820 -0.555 0.000 2.303 327 A HA 0.686 5.004 4.320 -0.003 0.000 0.320 327 A C -0.224 177.295 177.584 -0.109 0.000 1.192 327 A CA -0.540 51.281 52.037 -0.359 0.000 0.821 327 A CB 0.905 19.565 19.000 -0.566 0.000 1.188 327 A HN 0.737 nan 8.150 nan 0.000 0.492 328 E N 1.640 121.869 120.200 0.047 0.000 2.199 328 E HA 0.606 4.954 4.350 -0.003 0.000 0.269 328 E C -1.235 175.495 176.600 0.217 0.000 0.899 328 E CA -0.349 56.140 56.400 0.148 0.000 0.772 328 E CB 2.071 31.893 29.700 0.204 0.000 1.155 328 E HN 0.645 nan 8.360 nan 0.000 0.408 329 I N 2.256 122.948 120.570 0.203 0.000 2.608 329 I HA 0.293 4.461 4.170 -0.003 0.000 0.295 329 I C -0.800 175.458 176.117 0.235 0.000 1.049 329 I CA -0.812 60.640 61.300 0.253 0.000 1.063 329 I CB 1.963 40.084 38.000 0.201 0.000 1.248 329 I HN 0.343 nan 8.210 nan 0.000 0.424 330 Q N 3.987 123.936 119.800 0.249 0.000 2.347 330 Q HA 0.368 4.706 4.340 -0.003 0.000 0.271 330 Q C -0.886 175.117 176.000 0.005 0.000 1.064 330 Q CA -0.880 54.998 55.803 0.124 0.000 0.800 330 Q CB 2.669 31.433 28.738 0.044 0.000 1.304 330 Q HN 0.352 nan 8.270 nan 0.000 0.438 331 K N 1.677 121.899 120.400 -0.296 0.000 2.383 331 K HA 0.047 4.365 4.320 -0.003 0.000 0.286 331 K C 0.125 176.474 176.600 -0.418 0.000 1.051 331 K CA 0.419 56.213 56.287 -0.823 0.000 0.974 331 K CB 0.605 32.559 32.500 -0.910 0.000 0.968 331 K HN 0.676 nan 8.250 nan 0.000 0.475 332 Q N 2.256 121.821 119.800 -0.391 0.000 2.384 332 Q HA 0.142 4.480 4.340 -0.003 0.000 0.207 332 Q C 0.364 176.247 176.000 -0.195 0.000 0.904 332 Q CA 0.370 56.047 55.803 -0.209 0.000 0.933 332 Q CB 0.917 29.575 28.738 -0.133 0.000 1.077 332 Q HN 1.003 nan 8.270 nan 0.000 0.522 333 G N -0.341 108.301 108.800 -0.263 0.000 2.564 333 G HA2 -0.051 3.907 3.960 -0.003 0.000 0.139 333 G HA3 -0.051 3.907 3.960 -0.003 0.000 0.139 333 G C -1.529 173.248 174.900 -0.204 0.000 1.147 333 G CA -0.782 44.206 45.100 -0.186 0.000 1.031 333 G HN -0.079 nan 8.290 nan 0.000 0.482 334 Q N 1.234 120.955 119.800 -0.132 0.000 2.349 334 Q HA 0.474 4.812 4.340 -0.003 0.000 0.254 334 Q C 1.087 177.050 176.000 -0.061 0.000 0.980 334 Q CA 0.813 56.559 55.803 -0.095 0.000 0.924 334 Q CB 0.685 29.380 28.738 -0.072 0.000 1.209 334 Q HN 2.043 nan 8.270 nan 0.000 0.445 335 G N 3.377 112.171 108.800 -0.010 0.000 2.245 335 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.264 335 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.264 335 G C 0.179 175.155 174.900 0.127 0.000 0.985 335 G CA 0.140 45.296 45.100 0.093 0.000 0.625 335 G HN 0.550 nan 8.290 nan 0.000 0.536 336 Q N -0.810 118.956 119.800 -0.057 0.000 2.257 336 Q HA 0.565 4.903 4.340 -0.003 0.000 0.255 336 Q C -0.975 174.896 176.000 -0.215 0.000 0.920 336 Q CA -0.405 55.373 55.803 -0.042 0.000 0.927 336 Q CB 1.056 29.745 28.738 -0.080 0.000 1.229 336 Q HN 0.395 nan 8.270 nan 0.000 0.433 337 W N 0.808 122.170 121.300 0.103 0.000 2.957 337 W HA 0.391 5.049 4.660 -0.004 0.000 0.336 337 W C -0.239 176.386 176.519 0.177 0.000 1.087 337 W CA -0.464 56.973 57.345 0.153 0.000 1.235 337 W CB 2.230 31.832 29.460 0.237 0.000 1.399 337 W HN 0.340 nan 8.180 nan 0.000 0.480 338 T N 2.702 117.454 114.554 0.330 0.000 2.908 338 T HA 0.718 5.066 4.350 -0.003 0.000 0.290 338 T C -1.546 173.337 174.700 0.306 0.000 1.034 338 T CA -0.404 61.830 62.100 0.223 0.000 1.010 338 T CB 0.818 69.732 68.868 0.076 0.000 1.068 338 T HN 0.310 nan 8.240 nan 0.000 0.481 339 Y N 1.014 121.399 120.300 0.143 0.000 2.597 339 Y HA 0.824 5.372 4.550 -0.004 0.000 0.340 339 Y C -1.390 174.577 175.900 0.112 0.000 1.097 339 Y CA -1.275 56.903 58.100 0.131 0.000 1.037 339 Y CB 1.268 39.810 38.460 0.137 0.000 1.305 339 Y HN 0.423 nan 8.280 nan 0.000 0.463 340 Q N 2.598 122.568 119.800 0.284 0.000 2.372 340 Q HA 0.716 5.054 4.340 -0.003 0.000 0.273 340 Q C -1.474 174.667 176.000 0.235 0.000 1.078 340 Q CA -0.606 55.323 55.803 0.210 0.000 0.806 340 Q CB 3.292 32.157 28.738 0.211 0.000 1.332 340 Q HN 0.745 nan 8.270 nan 0.000 0.435 341 I N 2.816 123.504 120.570 0.196 0.000 2.466 341 I HA 0.571 4.739 4.170 -0.003 0.000 0.289 341 I C -1.095 175.052 176.117 0.051 0.000 1.026 341 I CA -1.125 60.193 61.300 0.031 0.000 1.078 341 I CB 0.837 38.871 38.000 0.056 0.000 1.249 341 I HN 0.663 nan 8.210 nan 0.000 0.429 342 Y N 3.189 123.441 120.300 -0.079 0.000 2.677 342 Y HA 0.548 5.095 4.550 -0.004 0.000 0.334 342 Y C -0.077 175.728 175.900 -0.158 0.000 1.154 342 Y CA -0.887 57.157 58.100 -0.093 0.000 1.070 342 Y CB 1.179 39.603 38.460 -0.059 0.000 1.294 342 Y HN 0.452 nan 8.280 nan 0.000 0.475 343 Q N -0.138 119.750 119.800 0.146 0.000 2.477 343 Q HA 0.159 4.497 4.340 -0.003 0.000 0.252 343 Q C -0.583 175.495 176.000 0.129 0.000 0.869 343 Q CA 0.167 55.986 55.803 0.026 0.000 0.969 343 Q CB 1.310 30.020 28.738 -0.047 0.000 1.144 343 Q HN 0.750 nan 8.270 nan 0.000 0.577 344 E N 1.980 122.252 120.200 0.120 0.000 2.165 344 E HA 0.250 4.598 4.350 -0.003 0.000 0.266 344 E C -2.549 173.873 176.600 -0.298 0.000 0.889 344 E CA -2.560 53.814 56.400 -0.043 0.000 0.756 344 E CB 1.365 31.019 29.700 -0.076 0.000 1.131 344 E HN -0.228 nan 8.360 nan 0.000 0.411 345 P HA -0.168 nan 4.420 nan 0.000 0.231 345 P C -0.953 175.587 177.300 -1.267 0.000 1.048 345 P CA 1.017 63.291 63.100 -1.376 0.000 0.925 345 P CB -0.303 30.776 31.700 -1.035 0.000 0.852 346 F N 0.651 119.967 119.950 -1.056 0.000 2.582 346 F HA -0.224 4.301 4.527 -0.003 0.000 0.350 346 F C 0.722 176.331 175.800 -0.317 0.000 0.615 346 F CA 0.252 57.911 58.000 -0.569 0.000 1.488 346 F CB -2.151 36.632 39.000 -0.361 0.000 1.958 346 F HN 0.296 nan 8.300 nan 0.000 0.294 347 K N 2.118 122.417 120.400 -0.169 0.000 2.206 347 K HA 0.225 4.543 4.320 -0.003 0.000 0.268 347 K C 0.198 176.803 176.600 0.009 0.000 1.111 347 K CA -0.469 55.773 56.287 -0.075 0.000 0.955 347 K CB 0.219 32.678 32.500 -0.069 0.000 1.406 347 K HN 0.025 nan 8.250 nan 0.000 0.427 348 N N 2.559 121.266 118.700 0.011 0.000 2.483 348 N HA -0.025 4.713 4.740 -0.003 0.000 0.264 348 N C 1.104 176.676 175.510 0.103 0.000 1.197 348 N CA 0.029 53.132 53.050 0.087 0.000 0.927 348 N CB 0.832 39.333 38.487 0.024 0.000 1.065 348 N HN 0.304 nan 8.380 nan 0.000 0.461 349 L N 2.246 123.587 121.223 0.196 0.000 2.072 349 L HA -0.017 4.321 4.340 -0.003 0.000 0.205 349 L C 0.832 178.002 176.870 0.500 0.000 1.079 349 L CA 1.555 56.602 54.840 0.345 0.000 0.752 349 L CB -0.199 42.050 42.059 0.316 0.000 0.906 349 L HN 0.699 nan 8.230 nan 0.000 0.436 350 K N -2.906 117.721 120.400 0.378 0.000 2.625 350 K HA 0.501 4.819 4.320 -0.003 0.000 0.284 350 K C -0.720 175.986 176.600 0.176 0.000 0.984 350 K CA -0.537 55.966 56.287 0.360 0.000 0.865 350 K CB 1.267 34.036 32.500 0.448 0.000 1.468 350 K HN -0.124 nan 8.250 nan 0.000 0.407 351 T N -1.959 112.626 114.554 0.052 0.000 2.844 351 T HA 0.923 5.271 4.350 -0.003 0.000 0.274 351 T C 0.257 174.721 174.700 -0.393 0.000 0.991 351 T CA -0.318 61.697 62.100 -0.141 0.000 0.983 351 T CB 1.638 70.436 68.868 -0.116 0.000 1.310 351 T HN 1.172 nan 8.240 nan 0.000 0.596 352 G N -0.069 108.271 108.800 -0.767 0.000 2.338 352 G HA2 0.529 4.487 3.960 -0.003 0.000 0.295 352 G HA3 0.529 4.487 3.960 -0.003 0.000 0.295 352 G C -2.078 172.434 174.900 -0.648 0.000 1.461 352 G CA -0.890 43.715 45.100 -0.824 0.000 0.817 352 G HN 0.982 nan 8.290 nan 0.000 0.556 353 K N -1.075 119.262 120.400 -0.105 0.000 2.426 353 K HA 0.785 5.103 4.320 -0.003 0.000 0.251 353 K C -1.860 174.964 176.600 0.374 0.000 0.941 353 K CA -1.136 55.248 56.287 0.162 0.000 0.808 353 K CB 2.872 35.425 32.500 0.088 0.000 1.265 353 K HN 0.674 nan 8.250 nan 0.000 0.432 354 Y N 0.652 121.127 120.300 0.293 0.000 2.462 354 Y HA 0.605 5.153 4.550 -0.004 0.000 0.346 354 Y C -0.810 175.235 175.900 0.242 0.000 0.976 354 Y CA -0.399 57.840 58.100 0.232 0.000 1.044 354 Y CB 2.463 41.029 38.460 0.177 0.000 1.230 354 Y HN 0.872 nan 8.280 nan 0.000 0.455 355 A N 5.334 127.825 122.820 -0.547 0.000 2.502 355 A HA 0.250 4.568 4.320 -0.003 0.000 0.253 355 A C 0.189 177.504 177.584 -0.448 0.000 0.938 355 A CA -0.517 51.335 52.037 -0.308 0.000 1.086 355 A CB -0.073 18.874 19.000 -0.090 0.000 1.176 355 A HN 0.729 nan 8.150 nan 0.000 0.499 356 R N -0.457 119.494 120.500 -0.916 0.000 2.827 356 R HA 0.354 4.692 4.340 -0.003 0.000 0.269 356 R C -0.207 175.979 176.300 -0.190 0.000 1.048 356 R CA 0.198 56.029 56.100 -0.448 0.000 1.173 356 R CB 0.252 30.348 30.300 -0.339 0.000 1.070 356 R HN 0.226 nan 8.270 nan 0.000 0.498 357 M N 3.019 122.576 119.600 -0.071 0.000 1.998 357 M HA 0.276 4.753 4.480 -0.003 0.000 0.289 357 M C -1.033 175.277 176.300 0.016 0.000 0.886 357 M CA 0.062 55.356 55.300 -0.010 0.000 0.853 357 M CB 0.808 33.398 32.600 -0.016 0.000 1.462 357 M HN 0.392 nan 8.290 nan 0.000 0.375 358 R N 3.017 123.547 120.500 0.051 0.000 2.387 358 R HA 0.518 4.856 4.340 -0.003 0.000 0.321 358 R C 0.454 176.787 176.300 0.055 0.000 1.174 358 R CA 0.678 56.816 56.100 0.063 0.000 1.002 358 R CB -0.518 29.836 30.300 0.089 0.000 1.028 358 R HN 0.991 nan 8.270 nan 0.000 0.482 359 G N 1.259 110.079 108.800 0.032 0.000 2.746 359 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.685 359 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.685 359 G C 0.586 175.447 174.900 -0.066 0.000 1.350 359 G CA -0.440 44.666 45.100 0.008 0.000 0.837 359 G HN 0.533 nan 8.290 nan 0.000 0.564 360 A N 0.075 122.776 122.820 -0.198 0.000 1.858 360 A HA 0.171 4.489 4.320 -0.003 0.000 0.216 360 A C 1.117 178.457 177.584 -0.406 0.000 1.190 360 A CA 2.212 53.987 52.037 -0.436 0.000 0.617 360 A CB -0.458 18.034 19.000 -0.847 0.000 0.827 360 A HN 1.186 nan 8.150 nan 0.000 0.443 361 H N -1.620 117.497 119.070 0.079 0.000 2.495 361 H HA 0.627 5.181 4.556 -0.003 0.000 0.348 361 H C -0.708 174.666 175.328 0.078 0.000 1.113 361 H CA 0.125 56.214 56.048 0.068 0.000 1.195 361 H CB 1.358 31.160 29.762 0.066 0.000 1.521 361 H HN 0.241 nan 8.280 nan 0.000 0.509 362 T N 1.628 116.276 114.554 0.157 0.000 2.792 362 T HA 0.369 4.717 4.350 -0.003 0.000 0.303 362 T C -1.108 173.610 174.700 0.030 0.000 1.310 362 T CA -0.884 61.266 62.100 0.083 0.000 1.007 362 T CB 1.687 70.591 68.868 0.060 0.000 1.335 362 T HN 0.869 nan 8.240 nan 0.000 0.504 363 N N 0.395 119.057 118.700 -0.063 0.000 2.701 363 N HA 0.477 5.215 4.740 -0.003 0.000 0.290 363 N C -0.035 175.427 175.510 -0.080 0.000 1.338 363 N CA -0.693 52.300 53.050 -0.095 0.000 0.799 363 N CB 0.368 38.722 38.487 -0.221 0.000 1.491 363 N HN 0.344 nan 8.380 nan 0.000 0.540 364 D N -0.682 119.726 120.400 0.014 0.000 2.219 364 D HA -0.044 4.594 4.640 -0.003 0.000 0.205 364 D C 1.544 177.804 176.300 -0.066 0.000 0.970 364 D CA 0.797 54.895 54.000 0.162 0.000 0.851 364 D CB -0.058 40.929 40.800 0.312 0.000 0.943 364 D HN 0.358 nan 8.370 nan 0.000 0.488 365 V N 0.679 120.415 119.914 -0.297 0.000 2.453 365 V HA -0.150 3.967 4.120 -0.003 0.000 0.247 365 V C 2.298 178.104 176.094 -0.480 0.000 1.048 365 V CA 1.195 63.225 62.300 -0.451 0.000 1.049 365 V CB -0.261 31.091 31.823 -0.784 0.000 0.672 365 V HN 0.139 nan 8.190 nan 0.000 0.457 366 K N -0.200 119.877 120.400 -0.538 0.000 2.025 366 K HA -0.169 4.149 4.320 -0.003 0.000 0.207 366 K C 2.350 178.797 176.600 -0.256 0.000 1.049 366 K CA 1.414 57.518 56.287 -0.304 0.000 0.933 366 K CB -0.197 32.173 32.500 -0.217 0.000 0.714 366 K HN 0.479 nan 8.250 nan 0.000 0.438 367 Q N 0.677 120.323 119.800 -0.256 0.000 2.084 367 Q HA -0.145 4.193 4.340 -0.003 0.000 0.202 367 Q C 2.188 177.707 176.000 -0.803 0.000 0.978 367 Q CA 0.985 56.591 55.803 -0.328 0.000 0.844 367 Q CB -0.102 28.579 28.738 -0.096 0.000 0.898 367 Q HN 0.312 nan 8.270 nan 0.000 0.426 368 L N 0.323 120.982 121.223 -0.940 0.000 2.046 368 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 368 L C 2.265 178.632 176.870 -0.839 0.000 1.077 368 L CA 1.983 56.138 54.840 -1.141 0.000 0.747 368 L CB -0.791 40.805 42.059 -0.773 0.000 0.896 368 L HN 0.252 nan 8.230 nan 0.000 0.432 369 T N -0.937 113.248 114.554 -0.615 0.000 2.995 369 T HA -0.135 4.213 4.350 -0.003 0.000 0.269 369 T C 1.601 176.004 174.700 -0.495 0.000 1.091 369 T CA 1.249 63.019 62.100 -0.550 0.000 1.128 369 T CB 0.022 68.747 68.868 -0.238 0.000 0.891 369 T HN 0.459 nan 8.240 nan 0.000 0.492 370 E N 0.480 120.387 120.200 -0.488 0.000 2.076 370 E HA 0.106 4.454 4.350 -0.003 0.000 0.190 370 E C 2.502 178.624 176.600 -0.798 0.000 0.979 370 E CA 0.858 56.973 56.400 -0.475 0.000 0.807 370 E CB -0.186 29.334 29.700 -0.299 0.000 0.761 370 E HN 0.523 nan 8.360 nan 0.000 0.454 371 A N 0.848 122.987 122.820 -1.135 0.000 1.972 371 A HA -0.146 4.172 4.320 -0.003 0.000 0.219 371 A C 2.429 179.563 177.584 -0.750 0.000 1.169 371 A CA 1.029 52.356 52.037 -1.184 0.000 0.635 371 A CB -0.576 17.833 19.000 -0.985 0.000 0.810 371 A HN 0.121 nan 8.150 nan 0.000 0.446 372 V N -0.589 118.870 119.914 -0.758 0.000 2.343 372 V HA -0.268 3.850 4.120 -0.003 0.000 0.247 372 V C 2.729 178.482 176.094 -0.568 0.000 1.051 372 V CA 2.341 64.135 62.300 -0.844 0.000 1.036 372 V CB -0.632 30.498 31.823 -1.154 0.000 0.654 372 V HN 0.595 nan 8.190 nan 0.000 0.451 373 Q N 0.003 119.531 119.800 -0.454 0.000 2.079 373 Q HA -0.157 4.181 4.340 -0.003 0.000 0.200 373 Q C 2.283 178.162 176.000 -0.202 0.000 0.974 373 Q CA 1.641 57.284 55.803 -0.267 0.000 0.840 373 Q CB -0.378 28.240 28.738 -0.200 0.000 0.898 373 Q HN 0.558 nan 8.270 nan 0.000 0.430 374 K N 0.081 120.321 120.400 -0.268 0.000 2.009 374 K HA -0.178 4.140 4.320 -0.003 0.000 0.210 374 K C 1.880 178.384 176.600 -0.161 0.000 1.049 374 K CA 1.628 57.805 56.287 -0.183 0.000 0.929 374 K CB -0.283 32.094 32.500 -0.205 0.000 0.714 374 K HN 0.249 nan 8.250 nan 0.000 0.440 375 I N 0.843 121.267 120.570 -0.244 0.000 2.315 375 I HA -0.240 3.928 4.170 -0.003 0.000 0.248 375 I C 2.250 178.363 176.117 -0.006 0.000 1.117 375 I CA 1.256 62.436 61.300 -0.200 0.000 1.404 375 I CB -0.351 37.477 38.000 -0.286 0.000 1.071 375 I HN 0.233 nan 8.210 nan 0.000 0.419 376 T N 0.144 114.731 114.554 0.056 0.000 2.652 376 T HA -0.199 4.149 4.350 -0.003 0.000 0.267 376 T C 1.941 176.657 174.700 0.027 0.000 1.039 376 T CA 2.222 64.376 62.100 0.090 0.000 1.153 376 T CB -0.464 68.440 68.868 0.060 0.000 0.863 376 T HN 0.367 nan 8.240 nan 0.000 0.428 377 T N 1.627 116.175 114.554 -0.009 0.000 2.607 377 T HA -0.194 4.154 4.350 -0.003 0.000 0.267 377 T C 1.899 176.581 174.700 -0.030 0.000 1.049 377 T CA 1.822 63.913 62.100 -0.014 0.000 1.162 377 T CB -0.498 68.359 68.868 -0.018 0.000 0.863 377 T HN 0.601 nan 8.240 nan 0.000 0.424 378 E N 0.650 120.822 120.200 -0.047 0.000 2.108 378 E HA -0.214 4.134 4.350 -0.003 0.000 0.203 378 E C 2.295 178.814 176.600 -0.135 0.000 1.022 378 E CA 1.725 58.070 56.400 -0.091 0.000 0.823 378 E CB -0.207 29.450 29.700 -0.072 0.000 0.744 378 E HN 0.375 nan 8.360 nan 0.000 0.456 379 S N 0.318 116.012 115.700 -0.011 0.000 2.368 379 S HA -0.135 4.332 4.470 -0.003 0.000 0.225 379 S C 1.913 176.546 174.600 0.055 0.000 1.030 379 S CA 1.105 59.390 58.200 0.142 0.000 0.999 379 S CB -0.177 63.156 63.200 0.221 0.000 0.844 379 S HN 0.315 nan 8.310 nan 0.000 0.459 380 I N 1.351 121.929 120.570 0.013 0.000 2.163 380 I HA -0.117 4.051 4.170 -0.003 0.000 0.243 380 I C 2.338 178.421 176.117 -0.058 0.000 1.085 380 I CA 1.075 62.376 61.300 0.002 0.000 1.347 380 I CB -1.688 36.319 38.000 0.012 0.000 1.044 380 I HN 0.152 nan 8.210 nan 0.000 0.408 381 V N 1.497 121.351 119.914 -0.100 0.000 2.255 381 V HA -0.279 3.839 4.120 -0.003 0.000 0.247 381 V C 2.488 178.432 176.094 -0.249 0.000 1.051 381 V CA 2.048 64.266 62.300 -0.138 0.000 1.018 381 V CB -0.381 31.364 31.823 -0.130 0.000 0.641 381 V HN 0.297 nan 8.190 nan 0.000 0.445 382 I N -2.095 118.199 120.570 -0.459 0.000 2.500 382 I HA -0.140 4.028 4.170 -0.003 0.000 0.252 382 I C 1.918 177.509 176.117 -0.878 0.000 1.142 382 I CA 1.295 62.090 61.300 -0.842 0.000 1.451 382 I CB -0.178 36.906 38.000 -1.527 0.000 1.093 382 I HN 0.419 nan 8.210 nan 0.000 0.430 383 W N -0.017 121.131 121.300 -0.253 0.000 2.555 383 W HA 0.371 5.029 4.660 -0.004 0.000 0.324 383 W C 1.437 177.836 176.519 -0.199 0.000 0.973 383 W CA 0.514 57.627 57.345 -0.388 0.000 1.481 383 W CB -0.174 28.939 29.460 -0.578 0.000 1.064 383 W HN 0.253 nan 8.180 nan 0.000 0.543 384 G N 2.678 111.502 108.800 0.041 0.000 2.153 384 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.252 384 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.252 384 G C 0.195 175.140 174.900 0.075 0.000 0.994 384 G CA 1.172 46.302 45.100 0.050 0.000 0.698 384 G HN 0.337 nan 8.290 nan 0.000 0.521 385 K N -1.309 119.148 120.400 0.095 0.000 2.575 385 K HA 0.654 4.972 4.320 -0.003 0.000 0.279 385 K C -0.237 176.400 176.600 0.061 0.000 0.969 385 K CA -0.310 56.021 56.287 0.073 0.000 0.868 385 K CB 0.801 33.341 32.500 0.067 0.000 1.457 385 K HN 0.482 nan 8.250 nan 0.000 0.426 386 T N -0.014 114.559 114.554 0.031 0.000 2.897 386 T HA 0.449 4.797 4.350 -0.003 0.000 0.294 386 T C -2.082 172.551 174.700 -0.112 0.000 1.004 386 T CA -1.251 60.846 62.100 -0.004 0.000 1.106 386 T CB 0.722 69.617 68.868 0.045 0.000 0.949 386 T HN 0.465 nan 8.240 nan 0.000 0.520 387 P HA 0.340 nan 4.420 nan 0.000 0.278 387 P C -0.690 176.320 177.300 -0.483 0.000 1.258 387 P CA -0.931 61.903 63.100 -0.442 0.000 0.811 387 P CB 0.722 32.039 31.700 -0.638 0.000 1.063 388 K N 1.151 121.324 120.400 -0.378 0.000 2.322 388 K HA 0.290 4.608 4.320 -0.003 0.000 0.283 388 K C -0.260 176.129 176.600 -0.351 0.000 1.042 388 K CA 0.085 56.220 56.287 -0.253 0.000 0.958 388 K CB 0.084 32.485 32.500 -0.165 0.000 0.984 388 K HN 0.368 nan 8.250 nan 0.000 0.473 389 F N 1.872 121.781 119.950 -0.070 0.000 2.399 389 F HA 0.277 4.802 4.527 -0.002 0.000 0.334 389 F C 0.636 176.451 175.800 0.024 0.000 1.097 389 F CA -0.487 57.476 58.000 -0.062 0.000 1.076 389 F CB 1.336 40.267 39.000 -0.116 0.000 1.162 389 F HN 0.157 nan 8.300 nan 0.000 0.495 390 K N 5.034 125.558 120.400 0.208 0.000 2.502 390 K HA 0.574 4.892 4.320 -0.003 0.000 0.254 390 K C -1.375 175.316 176.600 0.152 0.000 0.947 390 K CA -0.489 55.900 56.287 0.171 0.000 0.834 390 K CB 1.915 34.470 32.500 0.092 0.000 1.112 390 K HN 0.508 nan 8.250 nan 0.000 0.427 391 L N 3.908 125.235 121.223 0.174 0.000 2.362 391 L HA 0.446 4.784 4.340 -0.003 0.000 0.271 391 L C -2.030 174.903 176.870 0.105 0.000 1.002 391 L CA -2.250 52.622 54.840 0.052 0.000 0.818 391 L CB 2.204 44.114 42.059 -0.250 0.000 1.298 391 L HN 0.387 nan 8.230 nan 0.000 0.420 392 P HA 0.181 nan 4.420 nan 0.000 0.228 392 P C -0.569 176.897 177.300 0.277 0.000 1.748 392 P CA 0.466 63.654 63.100 0.146 0.000 0.909 392 P CB 0.151 31.932 31.700 0.135 0.000 1.882 393 I N -0.730 120.087 120.570 0.411 0.000 2.752 393 I HA 0.226 4.394 4.170 -0.003 0.000 0.295 393 I C -0.778 175.663 176.117 0.540 0.000 1.219 393 I CA -0.917 60.597 61.300 0.356 0.000 1.030 393 I CB 2.599 40.651 38.000 0.087 0.000 1.259 393 I HN -0.236 nan 8.210 nan 0.000 0.423 394 Q N 5.785 125.717 119.800 0.219 0.000 2.332 394 Q HA 0.171 4.509 4.340 -0.003 0.000 0.263 394 Q C 0.643 176.856 176.000 0.355 0.000 0.979 394 Q CA -0.226 55.583 55.803 0.010 0.000 0.885 394 Q CB 1.317 29.955 28.738 -0.167 0.000 1.218 394 Q HN 0.554 nan 8.270 nan 0.000 0.405 395 K N 2.001 122.588 120.400 0.312 0.000 2.074 395 K HA -0.234 4.084 4.320 -0.003 0.000 0.209 395 K C 1.553 178.382 176.600 0.380 0.000 1.048 395 K CA 1.398 57.912 56.287 0.377 0.000 0.926 395 K CB 0.132 32.653 32.500 0.034 0.000 0.713 395 K HN 0.666 nan 8.250 nan 0.000 0.444 396 E N 0.342 120.660 120.200 0.197 0.000 2.072 396 E HA -0.120 4.227 4.350 -0.003 0.000 0.191 396 E C 1.582 178.281 176.600 0.166 0.000 0.985 396 E CA 1.270 57.759 56.400 0.148 0.000 0.801 396 E CB 0.138 29.872 29.700 0.056 0.000 0.750 396 E HN 0.209 nan 8.360 nan 0.000 0.452 397 T N 1.189 115.845 114.554 0.170 0.000 2.684 397 T HA -0.191 4.157 4.350 -0.003 0.000 0.267 397 T C 1.315 176.177 174.700 0.270 0.000 1.036 397 T CA 1.386 63.584 62.100 0.163 0.000 1.148 397 T CB -0.551 68.390 68.868 0.121 0.000 0.863 397 T HN 0.453 nan 8.240 nan 0.000 0.436 398 W N 2.298 123.725 121.300 0.212 0.000 2.354 398 W HA -0.135 4.524 4.660 -0.002 0.000 0.315 398 W C 2.236 179.001 176.519 0.410 0.000 1.206 398 W CA 1.581 59.091 57.345 0.275 0.000 1.290 398 W CB -0.387 29.246 29.460 0.289 0.000 1.152 398 W HN 0.374 nan 8.180 nan 0.000 0.489 399 E N -0.104 120.297 120.200 0.336 0.000 2.065 399 E HA -0.281 4.067 4.350 -0.003 0.000 0.201 399 E C 1.960 178.581 176.600 0.034 0.000 1.016 399 E CA 2.957 59.544 56.400 0.313 0.000 0.818 399 E CB -0.493 29.398 29.700 0.318 0.000 0.749 399 E HN 0.112 nan 8.360 nan 0.000 0.453 400 T N 1.132 115.700 114.554 0.024 0.000 2.652 400 T HA -0.221 4.127 4.350 -0.003 0.000 0.267 400 T C 1.273 175.911 174.700 -0.102 0.000 1.039 400 T CA 1.461 63.528 62.100 -0.054 0.000 1.153 400 T CB -0.735 68.142 68.868 0.015 0.000 0.863 400 T HN 0.473 nan 8.240 nan 0.000 0.428 401 W N 0.887 122.060 121.300 -0.212 0.000 2.317 401 W HA -0.240 4.418 4.660 -0.003 0.000 0.318 401 W C 2.265 178.610 176.519 -0.290 0.000 1.227 401 W CA 1.713 58.901 57.345 -0.261 0.000 1.269 401 W CB -0.745 28.542 29.460 -0.288 0.000 1.155 401 W HN 0.462 nan 8.180 nan 0.000 0.484 402 W N 2.610 123.526 121.300 -0.641 0.000 2.315 402 W HA -0.261 4.398 4.660 -0.003 0.000 0.323 402 W C 2.375 178.646 176.519 -0.413 0.000 1.233 402 W CA 3.774 60.731 57.345 -0.646 0.000 1.267 402 W CB -1.034 28.018 29.460 -0.680 0.000 1.160 402 W HN -0.221 nan 8.180 nan 0.000 0.474 403 T N 1.110 114.949 114.554 -1.191 0.000 2.684 403 T HA -0.256 4.092 4.350 -0.003 0.000 0.267 403 T C 1.461 175.796 174.700 -0.610 0.000 1.036 403 T CA 2.167 63.527 62.100 -1.233 0.000 1.148 403 T CB -0.552 67.663 68.868 -1.087 0.000 0.863 403 T HN 0.380 nan 8.240 nan 0.000 0.436 404 E N -0.338 119.575 120.200 -0.479 0.000 2.208 404 E HA -0.017 4.331 4.350 -0.003 0.000 0.193 404 E C 0.299 176.721 176.600 -0.295 0.000 0.988 404 E CA 0.165 56.373 56.400 -0.321 0.000 0.828 404 E CB -0.056 29.494 29.700 -0.252 0.000 0.763 404 E HN 0.455 nan 8.360 nan 0.000 0.478 405 Y N 1.438 121.342 120.300 -0.659 0.000 2.397 405 Y HA -0.113 4.435 4.550 -0.003 0.000 0.335 405 Y C 0.972 176.631 175.900 -0.401 0.000 1.213 405 Y CA -1.204 56.456 58.100 -0.733 0.000 1.391 405 Y CB 0.372 38.057 38.460 -1.292 0.000 1.293 405 Y HN 0.116 nan 8.280 nan 0.000 0.557 406 W N 3.126 123.961 121.300 -0.775 0.000 2.518 406 W HA 0.061 4.719 4.660 -0.003 0.000 0.273 406 W C -0.341 175.857 176.519 -0.534 0.000 1.247 406 W CA 0.034 57.047 57.345 -0.554 0.000 1.288 406 W CB -0.332 28.870 29.460 -0.430 0.000 1.107 406 W HN 0.489 nan 8.180 nan 0.000 0.586 407 Q N 1.186 120.007 119.800 -1.632 0.000 2.299 407 Q HA 0.452 4.790 4.340 -0.003 0.000 0.246 407 Q C -0.091 175.706 176.000 -0.338 0.000 0.935 407 Q CA -0.364 54.847 55.803 -0.986 0.000 0.887 407 Q CB 1.597 29.621 28.738 -1.190 0.000 1.223 407 Q HN 0.050 nan 8.270 nan 0.000 0.439 408 A N 1.951 124.699 122.820 -0.121 0.000 2.363 408 A HA 0.459 4.777 4.320 -0.003 0.000 0.270 408 A C -0.182 177.450 177.584 0.081 0.000 1.121 408 A CA 0.001 52.054 52.037 0.027 0.000 0.800 408 A CB 1.052 20.075 19.000 0.039 0.000 1.052 408 A HN 0.606 nan 8.150 nan 0.000 0.493 409 T N 2.022 116.671 114.554 0.159 0.000 2.896 409 T HA 0.623 4.971 4.350 -0.003 0.000 0.297 409 T C -1.821 173.059 174.700 0.300 0.000 1.108 409 T CA -0.439 61.797 62.100 0.225 0.000 1.004 409 T CB 1.194 70.257 68.868 0.324 0.000 1.159 409 T HN 0.956 nan 8.240 nan 0.000 0.499 410 W N 6.346 127.670 121.300 0.039 0.000 2.916 410 W HA 0.397 5.055 4.660 -0.003 0.000 0.317 410 W C -2.127 174.359 176.519 -0.054 0.000 1.047 410 W CA -0.965 56.372 57.345 -0.014 0.000 1.234 410 W CB 0.665 30.101 29.460 -0.039 0.000 1.143 410 W HN 0.593 nan 8.180 nan 0.000 0.372 411 I N 8.328 128.560 120.570 -0.564 0.000 2.371 411 I HA 0.201 4.369 4.170 -0.003 0.000 0.290 411 I C -1.240 174.216 176.117 -1.101 0.000 1.028 411 I CA -1.732 59.073 61.300 -0.824 0.000 1.345 411 I CB 0.982 38.348 38.000 -1.056 0.000 1.407 411 I HN 0.115 nan 8.210 nan 0.000 0.501 412 P HA -0.057 nan 4.420 nan 0.000 0.274 412 P C -0.256 176.934 177.300 -0.183 0.000 1.264 412 P CA -0.398 62.412 63.100 -0.483 0.000 0.795 412 P CB 0.372 32.023 31.700 -0.081 0.000 1.064 413 E N 0.759 120.919 120.200 -0.067 0.000 2.868 413 E HA -0.072 4.276 4.350 -0.003 0.000 0.246 413 E C -0.579 176.097 176.600 0.126 0.000 0.962 413 E CA 0.244 56.635 56.400 -0.015 0.000 0.955 413 E CB -0.023 29.668 29.700 -0.015 0.000 0.903 413 E HN 0.353 nan 8.360 nan 0.000 0.524 414 W N 3.150 124.379 121.300 -0.118 0.000 3.047 414 W HA 0.652 5.309 4.660 -0.004 0.000 0.341 414 W C -1.313 175.178 176.519 -0.047 0.000 1.225 414 W CA -1.039 56.262 57.345 -0.073 0.000 1.150 414 W CB 0.725 30.094 29.460 -0.152 0.000 1.470 414 W HN 0.387 nan 8.180 nan 0.000 0.578 415 E N 0.975 121.275 120.200 0.167 0.000 2.331 415 E HA 0.323 4.670 4.350 -0.003 0.000 0.275 415 E C -1.542 175.248 176.600 0.317 0.000 0.895 415 E CA -0.982 55.420 56.400 0.003 0.000 0.753 415 E CB 3.121 32.820 29.700 -0.003 0.000 1.216 415 E HN 0.281 nan 8.360 nan 0.000 0.434 416 F N 3.086 123.112 119.950 0.128 0.000 2.529 416 F HA 0.331 4.857 4.527 -0.003 0.000 0.365 416 F C -0.777 175.117 175.800 0.156 0.000 1.102 416 F CA -0.020 58.129 58.000 0.248 0.000 1.271 416 F CB 0.677 39.784 39.000 0.179 0.000 1.120 416 F HN 0.164 nan 8.300 nan 0.000 0.579 417 V N 7.069 126.524 119.914 -0.765 0.000 2.525 417 V HA 0.287 4.405 4.120 -0.003 0.000 0.299 417 V C -0.808 174.712 176.094 -0.956 0.000 1.034 417 V CA -0.890 60.982 62.300 -0.713 0.000 0.863 417 V CB 1.420 33.118 31.823 -0.209 0.000 0.999 417 V HN 0.845 nan 8.190 nan 0.000 0.423 418 N N 4.611 122.824 118.700 -0.812 0.000 2.819 418 N HA 0.137 4.875 4.740 -0.003 0.000 0.284 418 N C -0.055 175.370 175.510 -0.142 0.000 1.196 418 N CA 0.337 53.166 53.050 -0.369 0.000 1.114 418 N CB 0.106 38.564 38.487 -0.048 0.000 1.437 418 N HN 0.858 nan 8.380 nan 0.000 0.518 419 T N 0.501 114.987 114.554 -0.115 0.000 3.060 419 T HA 0.450 4.798 4.350 -0.003 0.000 0.367 419 T C -2.647 172.045 174.700 -0.012 0.000 1.229 419 T CA -2.015 60.055 62.100 -0.049 0.000 1.104 419 T CB 1.250 70.090 68.868 -0.045 0.000 1.083 419 T HN 0.073 nan 8.240 nan 0.000 0.524 420 P HA 0.219 nan 4.420 nan 0.000 0.267 420 P C -2.292 174.999 177.300 -0.014 0.000 1.201 420 P CA -0.779 62.330 63.100 0.014 0.000 0.775 420 P CB -0.430 31.279 31.700 0.016 0.000 0.854 421 P HA 0.112 nan 4.420 nan 0.000 0.268 421 P C -0.695 176.625 177.300 0.034 0.000 1.204 421 P CA 0.002 63.105 63.100 0.005 0.000 0.768 421 P CB 0.228 31.919 31.700 -0.016 0.000 0.842 422 L N 3.325 124.590 121.223 0.070 0.000 2.395 422 L HA 0.187 4.525 4.340 -0.003 0.000 0.269 422 L C 0.025 176.959 176.870 0.106 0.000 1.133 422 L CA -0.384 54.528 54.840 0.121 0.000 0.812 422 L CB 0.979 43.132 42.059 0.156 0.000 1.125 422 L HN 0.134 nan 8.230 nan 0.000 0.452 423 V N 3.617 123.618 119.914 0.146 0.000 2.488 423 V HA 0.410 4.528 4.120 -0.003 0.000 0.277 423 V C 0.107 176.235 176.094 0.057 0.000 1.046 423 V CA -0.465 61.921 62.300 0.143 0.000 0.986 423 V CB 0.657 32.593 31.823 0.187 0.000 0.989 423 V HN 0.880 nan 8.190 nan 0.000 0.475 424 K N 4.688 125.082 120.400 -0.011 0.000 2.509 424 K HA 0.685 5.003 4.320 -0.003 0.000 0.266 424 K C -1.646 174.857 176.600 -0.161 0.000 0.987 424 K CA -1.075 55.132 56.287 -0.132 0.000 0.868 424 K CB 1.523 33.862 32.500 -0.268 0.000 1.421 424 K HN 0.203 nan 8.250 nan 0.000 0.444 425 L N 1.702 122.833 121.223 -0.153 0.000 2.371 425 L HA 0.215 4.553 4.340 -0.003 0.000 0.272 425 L C 0.221 176.988 176.870 -0.171 0.000 1.124 425 L CA 0.081 54.858 54.840 -0.106 0.000 0.816 425 L CB 0.275 42.285 42.059 -0.080 0.000 1.129 425 L HN 0.852 nan 8.230 nan 0.000 0.448 426 W N 2.699 123.936 121.300 -0.105 0.000 3.114 426 W HA 0.106 4.764 4.660 -0.004 0.000 0.279 426 W C -0.021 176.586 176.519 0.147 0.000 1.277 426 W CA -0.010 57.352 57.345 0.029 0.000 1.630 426 W CB 0.171 29.687 29.460 0.094 0.000 1.087 426 W HN 0.550 nan 8.180 nan 0.000 0.637 427 Y N -0.850 119.572 120.300 0.203 0.000 2.713 427 Y HA 0.550 5.098 4.550 -0.003 0.000 0.335 427 Y C -1.154 174.810 175.900 0.108 0.000 1.222 427 Y CA -2.289 55.890 58.100 0.131 0.000 1.061 427 Y CB 0.393 38.930 38.460 0.128 0.000 1.314 427 Y HN -0.018 nan 8.280 nan 0.000 0.453 428 Q N 1.999 121.953 119.800 0.256 0.000 2.289 428 Q HA 0.579 4.917 4.340 -0.003 0.000 0.270 428 Q C -1.960 174.172 176.000 0.220 0.000 1.038 428 Q CA -1.094 54.807 55.803 0.163 0.000 0.812 428 Q CB 2.422 31.207 28.738 0.078 0.000 1.300 428 Q HN 0.625 nan 8.270 nan 0.000 0.427 429 L N 2.238 123.588 121.223 0.211 0.000 2.426 429 L HA 0.273 4.611 4.340 -0.003 0.000 0.271 429 L C 0.839 177.795 176.870 0.143 0.000 1.169 429 L CA 0.249 55.188 54.840 0.164 0.000 0.836 429 L CB 0.273 42.404 42.059 0.120 0.000 1.112 429 L HN 0.797 nan 8.230 nan 0.000 0.465 430 E N 2.409 122.719 120.200 0.183 0.000 2.408 430 E HA 0.043 4.391 4.350 -0.003 0.000 0.259 430 E C 0.609 177.372 176.600 0.272 0.000 1.110 430 E CA -0.048 56.479 56.400 0.213 0.000 0.929 430 E CB 0.917 30.761 29.700 0.239 0.000 0.971 430 E HN 0.377 nan 8.360 nan 0.000 0.438 431 K N 0.701 121.209 120.400 0.180 0.000 2.323 431 K HA 0.048 4.366 4.320 -0.003 0.000 0.197 431 K C 0.020 176.708 176.600 0.148 0.000 1.043 431 K CA 0.405 56.794 56.287 0.170 0.000 0.997 431 K CB 0.413 32.958 32.500 0.074 0.000 0.807 431 K HN 0.207 nan 8.250 nan 0.000 0.497 432 E N 0.954 121.154 120.200 0.000 0.000 2.234 432 E HA 0.233 4.581 4.350 -0.003 0.000 0.266 432 E C -2.716 173.553 176.600 -0.551 0.000 0.877 432 E CA -2.783 53.472 56.400 -0.240 0.000 0.758 432 E CB 1.491 31.115 29.700 -0.127 0.000 1.170 432 E HN -0.131 nan 8.360 nan 0.000 0.415 433 P HA 0.072 nan 4.420 nan 0.000 0.265 433 P C -0.292 176.811 177.300 -0.328 0.000 1.193 433 P CA 0.155 62.712 63.100 -0.906 0.000 0.765 433 P CB 0.383 31.672 31.700 -0.685 0.000 0.823 434 I N 2.979 123.452 120.570 -0.162 0.000 2.363 434 I HA 0.086 4.254 4.170 -0.003 0.000 0.292 434 I C 1.076 177.164 176.117 -0.048 0.000 1.075 434 I CA -0.708 60.552 61.300 -0.067 0.000 1.333 434 I CB 0.761 38.757 38.000 -0.007 0.000 1.415 434 I HN 0.090 nan 8.210 nan 0.000 0.502 435 V N 7.814 127.699 119.914 -0.048 0.000 2.529 435 V HA 0.308 4.426 4.120 -0.003 0.000 0.292 435 V C 1.197 177.282 176.094 -0.014 0.000 1.028 435 V CA 1.053 63.334 62.300 -0.032 0.000 1.074 435 V CB 0.415 32.219 31.823 -0.032 0.000 0.958 435 V HN 1.105 nan 8.190 nan 0.000 0.481 436 G N 4.241 113.038 108.800 -0.006 0.000 2.182 436 G HA2 0.063 4.021 3.960 -0.003 0.000 0.248 436 G HA3 0.063 4.021 3.960 -0.003 0.000 0.248 436 G C 0.062 174.968 174.900 0.011 0.000 1.042 436 G CA 0.223 45.324 45.100 0.002 0.000 0.775 436 G HN 1.914 nan 8.290 nan 0.000 0.501 437 A N -0.692 122.138 122.820 0.017 0.000 2.435 437 A HA 0.804 5.122 4.320 -0.003 0.000 0.304 437 A C 0.001 177.617 177.584 0.053 0.000 1.064 437 A CA -0.220 51.838 52.037 0.036 0.000 0.727 437 A CB 1.229 20.250 19.000 0.037 0.000 1.284 437 A HN 0.525 nan 8.150 nan 0.000 0.415 438 E N 1.247 121.498 120.200 0.086 0.000 2.220 438 E HA 0.203 4.551 4.350 -0.003 0.000 0.272 438 E C -0.582 176.107 176.600 0.147 0.000 1.099 438 E CA 0.038 56.489 56.400 0.086 0.000 0.907 438 E CB 0.295 30.059 29.700 0.105 0.000 1.022 438 E HN 0.529 nan 8.360 nan 0.000 0.428 439 T N 5.911 120.499 114.554 0.056 0.000 2.775 439 T HA 0.119 4.467 4.350 -0.003 0.000 0.287 439 T C -0.380 174.327 174.700 0.012 0.000 0.909 439 T CA -0.101 62.026 62.100 0.045 0.000 1.081 439 T CB -0.433 68.445 68.868 0.016 0.000 0.891 439 T HN 0.220 nan 8.240 nan 0.000 0.544 440 F N 2.813 122.698 119.950 -0.108 0.000 2.427 440 F HA 0.336 4.861 4.527 -0.003 0.000 0.352 440 F C 0.266 175.996 175.800 -0.117 0.000 1.100 440 F CA -0.962 56.995 58.000 -0.070 0.000 1.191 440 F CB 0.436 39.344 39.000 -0.154 0.000 1.128 440 F HN 0.473 nan 8.300 nan 0.000 0.533 441 Y N 3.033 123.423 120.300 0.150 0.000 2.342 441 Y HA 0.495 5.043 4.550 -0.003 0.000 0.338 441 Y C 0.008 176.004 175.900 0.161 0.000 0.965 441 Y CA -1.032 57.134 58.100 0.111 0.000 1.159 441 Y CB 1.147 39.631 38.460 0.041 0.000 1.157 441 Y HN 0.380 nan 8.280 nan 0.000 0.486 442 V N -0.040 120.019 119.914 0.241 0.000 2.732 442 V HA 0.838 4.956 4.120 -0.003 0.000 0.310 442 V C -0.857 175.323 176.094 0.144 0.000 1.053 442 V CA -0.510 61.920 62.300 0.216 0.000 0.957 442 V CB 2.088 34.019 31.823 0.180 0.000 1.018 442 V HN 0.649 nan 8.190 nan 0.000 0.452 443 D N 0.522 120.995 120.400 0.122 0.000 2.648 443 D HA 0.719 5.357 4.640 -0.003 0.000 0.244 443 D C -0.372 175.973 176.300 0.076 0.000 1.244 443 D CA 0.439 54.486 54.000 0.078 0.000 0.772 443 D CB 2.204 43.028 40.800 0.040 0.000 1.379 443 D HN 1.099 nan 8.370 nan 0.000 0.428 444 G N -0.569 108.271 108.800 0.067 0.000 2.630 444 G HA2 0.870 4.828 3.960 -0.003 0.000 0.296 444 G HA3 0.870 4.828 3.960 -0.003 0.000 0.296 444 G C -1.486 173.446 174.900 0.053 0.000 1.285 444 G CA -0.365 44.774 45.100 0.064 0.000 0.958 444 G HN 0.631 nan 8.290 nan 0.000 0.479 445 A N -1.073 121.776 122.820 0.048 0.000 2.547 445 A HA 0.950 5.268 4.320 -0.003 0.000 0.297 445 A C -0.690 176.916 177.584 0.038 0.000 1.056 445 A CA -0.024 52.040 52.037 0.044 0.000 0.688 445 A CB 1.634 20.659 19.000 0.041 0.000 1.282 445 A HN 2.292 nan 8.150 nan 0.000 0.400 446 A N 1.791 124.632 122.820 0.034 0.000 2.459 446 A HA 0.682 5.000 4.320 -0.003 0.000 0.296 446 A C -0.974 176.623 177.584 0.022 0.000 1.039 446 A CA -0.601 51.452 52.037 0.026 0.000 0.698 446 A CB 1.120 20.134 19.000 0.024 0.000 1.261 446 A HN 0.798 nan 8.150 nan 0.000 0.405 447 N N 1.641 120.352 118.700 0.018 0.000 2.422 447 N HA 0.131 4.869 4.740 -0.003 0.000 0.264 447 N C 0.861 176.378 175.510 0.012 0.000 1.063 447 N CA -0.168 52.891 53.050 0.015 0.000 0.959 447 N CB 1.224 39.719 38.487 0.013 0.000 1.087 447 N HN 0.760 nan 8.380 nan 0.000 0.483 448 R N 2.829 123.335 120.500 0.010 0.000 2.115 448 R HA -0.081 4.257 4.340 -0.003 0.000 0.230 448 R C 1.649 177.952 176.300 0.006 0.000 1.111 448 R CA 1.610 57.714 56.100 0.007 0.000 0.976 448 R CB 0.204 30.508 30.300 0.006 0.000 0.870 448 R HN 0.719 nan 8.270 nan 0.000 0.445 449 E N -1.007 119.196 120.200 0.006 0.000 2.060 449 E HA -0.106 4.242 4.350 -0.003 0.000 0.189 449 E C 1.678 178.282 176.600 0.006 0.000 0.974 449 E CA 1.504 57.907 56.400 0.005 0.000 0.808 449 E CB -0.445 29.258 29.700 0.004 0.000 0.768 449 E HN 0.372 nan 8.360 nan 0.000 0.453 450 T N -0.826 113.732 114.554 0.007 0.000 2.904 450 T HA -0.032 4.316 4.350 -0.003 0.000 0.267 450 T C 0.988 175.692 174.700 0.008 0.000 1.059 450 T CA 1.161 63.266 62.100 0.007 0.000 1.137 450 T CB -0.164 68.709 68.868 0.008 0.000 0.879 450 T HN 0.102 nan 8.240 nan 0.000 0.467 451 K N -0.282 120.123 120.400 0.009 0.000 3.446 451 K HA -0.070 4.248 4.320 -0.003 0.000 0.312 451 K C -0.228 176.379 176.600 0.013 0.000 1.329 451 K CA 0.522 56.816 56.287 0.010 0.000 0.935 451 K CB -2.365 30.141 32.500 0.009 0.000 1.281 451 K HN 0.565 nan 8.250 nan 0.000 0.457 452 L N -0.065 121.166 121.223 0.013 0.000 2.418 452 L HA 0.572 4.909 4.340 -0.003 0.000 0.265 452 L C 1.026 177.907 176.870 0.018 0.000 1.143 452 L CA 0.173 55.022 54.840 0.015 0.000 0.809 452 L CB 1.178 43.244 42.059 0.012 0.000 1.124 452 L HN 0.264 nan 8.230 nan 0.000 0.456 453 G N 1.556 110.368 108.800 0.021 0.000 2.690 453 G HA2 0.524 4.482 3.960 -0.003 0.000 0.291 453 G HA3 0.524 4.482 3.960 -0.003 0.000 0.291 453 G C -1.608 173.307 174.900 0.025 0.000 1.403 453 G CA -0.584 44.532 45.100 0.025 0.000 0.864 453 G HN 0.350 nan 8.290 nan 0.000 0.480 454 K N -0.045 120.371 120.400 0.026 0.000 2.324 454 K HA 0.732 5.050 4.320 -0.003 0.000 0.253 454 K C -0.785 175.834 176.600 0.032 0.000 0.932 454 K CA -0.705 55.595 56.287 0.022 0.000 0.799 454 K CB 2.604 35.111 32.500 0.013 0.000 1.154 454 K HN 0.712 nan 8.250 nan 0.000 0.425 455 A N 1.388 124.227 122.820 0.031 0.000 2.365 455 A HA 0.905 5.223 4.320 -0.003 0.000 0.318 455 A C -0.339 177.257 177.584 0.021 0.000 1.091 455 A CA -0.492 51.574 52.037 0.049 0.000 0.763 455 A CB 1.804 20.849 19.000 0.075 0.000 1.248 455 A HN 0.766 nan 8.150 nan 0.000 0.442 456 G N -0.250 108.573 108.800 0.038 0.000 2.550 456 G HA2 0.665 4.623 3.960 -0.003 0.000 0.293 456 G HA3 0.665 4.623 3.960 -0.003 0.000 0.293 456 G C -1.632 173.325 174.900 0.096 0.000 1.402 456 G CA -0.129 44.951 45.100 -0.033 0.000 0.784 456 G HN 1.824 nan 8.290 nan 0.000 0.482 457 Y N -1.474 118.892 120.300 0.110 0.000 2.544 457 Y HA 0.774 5.322 4.550 -0.003 0.000 0.342 457 Y C -0.566 175.372 175.900 0.065 0.000 1.062 457 Y CA -1.788 56.401 58.100 0.149 0.000 1.023 457 Y CB 1.405 40.063 38.460 0.331 0.000 1.308 457 Y HN 1.051 nan 8.280 nan 0.000 0.457 458 V N 0.036 120.115 119.914 0.276 0.000 2.769 458 V HA 0.974 5.092 4.120 -0.003 0.000 0.312 458 V C -0.197 175.954 176.094 0.095 0.000 1.061 458 V CA -0.078 62.305 62.300 0.139 0.000 0.931 458 V CB 1.202 33.045 31.823 0.034 0.000 1.010 458 V HN 1.292 nan 8.190 nan 0.000 0.433 459 T N 0.001 114.522 114.554 -0.055 0.000 2.927 459 T HA 0.401 4.749 4.350 -0.003 0.000 0.286 459 T C 0.857 175.527 174.700 -0.050 0.000 1.040 459 T CA -0.120 61.873 62.100 -0.178 0.000 1.010 459 T CB 1.618 70.145 68.868 -0.569 0.000 1.177 459 T HN 0.915 nan 8.240 nan 0.000 0.546 460 N N 0.351 119.039 118.700 -0.021 0.000 2.512 460 N HA -0.080 4.658 4.740 -0.003 0.000 0.183 460 N C 0.936 176.429 175.510 -0.029 0.000 1.073 460 N CA 0.371 53.426 53.050 0.009 0.000 0.911 460 N CB -0.288 38.225 38.487 0.043 0.000 0.964 460 N HN 0.641 nan 8.380 nan 0.000 0.447 461 R N -0.447 120.012 120.500 -0.067 0.000 2.552 461 R HA 0.254 4.592 4.340 -0.003 0.000 0.314 461 R C 0.610 176.879 176.300 -0.052 0.000 1.041 461 R CA 0.308 56.374 56.100 -0.055 0.000 1.076 461 R CB 0.274 30.538 30.300 -0.060 0.000 1.290 461 R HN 0.329 nan 8.270 nan 0.000 0.563 462 G N 1.552 110.322 108.800 -0.050 0.000 2.267 462 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.257 462 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.257 462 G C 0.444 175.328 174.900 -0.026 0.000 0.998 462 G CA 0.288 45.367 45.100 -0.035 0.000 0.620 462 G HN 0.377 nan 8.290 nan 0.000 0.529 463 R N 0.708 121.187 120.500 -0.034 0.000 2.784 463 R HA 0.525 4.863 4.340 -0.003 0.000 0.266 463 R C 0.214 176.553 176.300 0.065 0.000 1.044 463 R CA 0.661 56.775 56.100 0.022 0.000 1.151 463 R CB 0.261 30.575 30.300 0.024 0.000 1.037 463 R HN 0.299 nan 8.270 nan 0.000 0.478 464 Q N 2.309 122.152 119.800 0.072 0.000 2.548 464 Q HA 0.153 4.491 4.340 -0.003 0.000 0.232 464 Q C -1.933 173.938 176.000 -0.214 0.000 0.838 464 Q CA -0.434 55.329 55.803 -0.067 0.000 1.032 464 Q CB 1.343 30.053 28.738 -0.048 0.000 1.548 464 Q HN 0.639 nan 8.270 nan 0.000 0.479 465 K N 1.877 121.945 120.400 -0.554 0.000 2.469 465 K HA 0.761 5.079 4.320 -0.003 0.000 0.254 465 K C -1.524 174.836 176.600 -0.399 0.000 0.939 465 K CA -0.619 55.367 56.287 -0.502 0.000 0.812 465 K CB 2.105 34.206 32.500 -0.665 0.000 1.301 465 K HN 0.290 nan 8.250 nan 0.000 0.433 466 V N 3.335 123.123 119.914 -0.210 0.000 2.559 466 V HA 0.261 4.379 4.120 -0.003 0.000 0.289 466 V C -0.671 175.381 176.094 -0.070 0.000 1.036 466 V CA -1.006 61.219 62.300 -0.124 0.000 0.887 466 V CB 1.369 33.142 31.823 -0.083 0.000 1.022 466 V HN 0.515 nan 8.190 nan 0.000 0.442 467 V N 2.826 122.713 119.914 -0.045 0.000 2.716 467 V HA 0.562 4.680 4.120 -0.003 0.000 0.304 467 V C 0.582 176.678 176.094 0.003 0.000 1.053 467 V CA -0.224 62.068 62.300 -0.012 0.000 0.984 467 V CB 2.075 33.903 31.823 0.008 0.000 1.021 467 V HN 0.861 nan 8.190 nan 0.000 0.467 468 T N 4.962 119.521 114.554 0.008 0.000 2.829 468 T HA 0.748 5.096 4.350 -0.003 0.000 0.282 468 T C -0.552 174.162 174.700 0.022 0.000 0.990 468 T CA -0.211 61.897 62.100 0.013 0.000 1.028 468 T CB 0.844 69.717 68.868 0.008 0.000 0.951 468 T HN 0.374 nan 8.240 nan 0.000 0.460 469 L N 1.897 123.135 121.223 0.025 0.000 2.388 469 L HA 0.528 4.866 4.340 -0.003 0.000 0.264 469 L C 1.427 178.311 176.870 0.024 0.000 0.998 469 L CA -0.859 53.998 54.840 0.029 0.000 0.817 469 L CB 2.209 44.291 42.059 0.039 0.000 1.338 469 L HN 0.807 nan 8.230 nan 0.000 0.414 470 T N -3.890 110.677 114.554 0.022 0.000 3.042 470 T HA 0.097 4.445 4.350 -0.003 0.000 0.245 470 T C 0.287 174.996 174.700 0.016 0.000 1.029 470 T CA 0.382 62.492 62.100 0.017 0.000 1.120 470 T CB 0.141 69.019 68.868 0.015 0.000 0.917 470 T HN 0.473 nan 8.240 nan 0.000 0.467 471 D N 1.011 121.421 120.400 0.017 0.000 2.400 471 D HA 0.464 5.102 4.640 -0.003 0.000 0.272 471 D C -0.988 175.322 176.300 0.017 0.000 1.220 471 D CA -0.197 53.812 54.000 0.015 0.000 0.897 471 D CB 1.209 42.016 40.800 0.013 0.000 1.134 471 D HN 0.261 nan 8.370 nan 0.000 0.507 472 T N 0.586 115.151 114.554 0.018 0.000 2.865 472 T HA 0.763 5.111 4.350 -0.003 0.000 0.294 472 T C -0.874 173.835 174.700 0.015 0.000 1.119 472 T CA -0.402 61.711 62.100 0.021 0.000 1.007 472 T CB 1.378 70.263 68.868 0.028 0.000 1.225 472 T HN 0.262 nan 8.240 nan 0.000 0.515 473 T N 0.307 114.869 114.554 0.014 0.000 2.916 473 T HA 0.424 4.772 4.350 -0.003 0.000 0.292 473 T C 1.015 175.721 174.700 0.010 0.000 1.055 473 T CA -0.809 61.292 62.100 0.002 0.000 1.009 473 T CB 1.277 70.134 68.868 -0.017 0.000 1.118 473 T HN 0.579 nan 8.240 nan 0.000 0.497 474 N N 0.617 119.319 118.700 0.004 0.000 2.060 474 N HA -0.219 4.519 4.740 -0.003 0.000 0.195 474 N C 1.997 177.524 175.510 0.028 0.000 1.028 474 N CA 2.001 55.063 53.050 0.019 0.000 0.861 474 N CB -0.355 38.141 38.487 0.015 0.000 1.029 474 N HN 0.658 nan 8.380 nan 0.000 0.428 475 Q N 0.579 120.363 119.800 -0.026 0.000 2.061 475 Q HA -0.145 4.193 4.340 -0.003 0.000 0.204 475 Q C 1.849 177.917 176.000 0.113 0.000 0.984 475 Q CA 1.318 57.105 55.803 -0.028 0.000 0.846 475 Q CB -0.157 28.369 28.738 -0.353 0.000 0.902 475 Q HN 0.414 nan 8.270 nan 0.000 0.421 476 K N 0.109 120.552 120.400 0.073 0.000 2.063 476 K HA -0.148 4.170 4.320 -0.003 0.000 0.208 476 K C 2.404 179.060 176.600 0.093 0.000 1.048 476 K CA 1.787 58.128 56.287 0.091 0.000 0.928 476 K CB -0.290 32.246 32.500 0.059 0.000 0.713 476 K HN 0.392 nan 8.250 nan 0.000 0.442 477 T N -0.264 114.338 114.554 0.079 0.000 2.788 477 T HA -0.122 4.226 4.350 -0.003 0.000 0.268 477 T C 1.662 176.423 174.700 0.101 0.000 1.044 477 T CA 0.969 63.118 62.100 0.081 0.000 1.139 477 T CB -0.113 68.794 68.868 0.064 0.000 0.867 477 T HN 0.132 nan 8.240 nan 0.000 0.454 478 E N 1.015 121.285 120.200 0.116 0.000 2.072 478 E HA -0.011 4.337 4.350 -0.003 0.000 0.191 478 E C 2.210 178.887 176.600 0.130 0.000 0.985 478 E CA 0.661 57.139 56.400 0.131 0.000 0.801 478 E CB -0.370 29.427 29.700 0.162 0.000 0.750 478 E HN 0.361 nan 8.360 nan 0.000 0.452 479 L N 1.170 122.475 121.223 0.137 0.000 2.093 479 L HA -0.153 4.185 4.340 -0.003 0.000 0.208 479 L C 2.473 179.416 176.870 0.121 0.000 1.085 479 L CA 1.470 56.372 54.840 0.103 0.000 0.755 479 L CB -0.882 41.233 42.059 0.093 0.000 0.904 479 L HN 0.075 nan 8.230 nan 0.000 0.435 480 Q N -0.779 119.102 119.800 0.135 0.000 2.050 480 Q HA -0.112 4.226 4.340 -0.003 0.000 0.202 480 Q C 2.278 178.397 176.000 0.199 0.000 0.980 480 Q CA 1.910 57.825 55.803 0.187 0.000 0.840 480 Q CB -0.243 28.581 28.738 0.143 0.000 0.898 480 Q HN 0.470 nan 8.270 nan 0.000 0.424 481 A N 0.060 122.971 122.820 0.152 0.000 1.902 481 A HA -0.161 4.157 4.320 -0.003 0.000 0.217 481 A C 2.082 179.759 177.584 0.154 0.000 1.181 481 A CA 1.463 53.593 52.037 0.156 0.000 0.623 481 A CB -0.747 18.337 19.000 0.139 0.000 0.818 481 A HN 0.469 nan 8.150 nan 0.000 0.443 482 I N -1.882 118.760 120.570 0.121 0.000 2.315 482 I HA -0.235 3.933 4.170 -0.003 0.000 0.248 482 I C 2.458 178.612 176.117 0.061 0.000 1.117 482 I CA 1.479 62.818 61.300 0.065 0.000 1.404 482 I CB -0.331 37.694 38.000 0.043 0.000 1.071 482 I HN 0.550 nan 8.210 nan 0.000 0.419 483 Y N 1.678 121.965 120.300 -0.021 0.000 2.200 483 Y HA -0.196 4.352 4.550 -0.003 0.000 0.290 483 Y C 2.250 178.133 175.900 -0.028 0.000 1.137 483 Y CA 1.385 59.462 58.100 -0.038 0.000 1.163 483 Y CB -0.461 37.990 38.460 -0.015 0.000 0.988 483 Y HN 0.007 nan 8.280 nan 0.000 0.518 484 L N -0.179 120.988 121.223 -0.093 0.000 2.012 484 L HA -0.283 4.055 4.340 -0.003 0.000 0.210 484 L C 2.759 179.555 176.870 -0.122 0.000 1.073 484 L CA 1.472 56.269 54.840 -0.071 0.000 0.748 484 L CB -1.078 41.107 42.059 0.210 0.000 0.891 484 L HN 0.341 nan 8.230 nan 0.000 0.431 485 A N -0.319 122.391 122.820 -0.183 0.000 1.978 485 A HA -0.178 4.140 4.320 -0.003 0.000 0.220 485 A C 2.200 179.258 177.584 -0.875 0.000 1.170 485 A CA 1.506 53.082 52.037 -0.769 0.000 0.636 485 A CB -0.579 18.097 19.000 -0.539 0.000 0.810 485 A HN 0.421 nan 8.150 nan 0.000 0.448 486 L N -1.774 119.168 121.223 -0.468 0.000 2.270 486 L HA -0.093 4.245 4.340 -0.003 0.000 0.210 486 L C 2.729 179.405 176.870 -0.323 0.000 1.104 486 L CA 1.092 55.715 54.840 -0.361 0.000 0.804 486 L CB -0.311 41.635 42.059 -0.188 0.000 0.937 486 L HN 0.470 nan 8.230 nan 0.000 0.450 487 Q N -0.012 119.571 119.800 -0.362 0.000 2.119 487 Q HA -0.128 4.210 4.340 -0.003 0.000 0.201 487 Q C -0.168 175.722 176.000 -0.183 0.000 0.972 487 Q CA 1.062 56.686 55.803 -0.298 0.000 0.847 487 Q CB 0.483 28.975 28.738 -0.410 0.000 0.903 487 Q HN 0.385 nan 8.270 nan 0.000 0.433 488 D N -0.938 119.348 120.400 -0.190 0.000 2.795 488 D HA 0.103 4.741 4.640 -0.003 0.000 0.335 488 D C -0.124 176.125 176.300 -0.084 0.000 1.262 488 D CA 0.117 54.078 54.000 -0.064 0.000 0.885 488 D CB 1.051 41.913 40.800 0.103 0.000 1.047 488 D HN 0.164 nan 8.370 nan 0.000 0.500 489 S N -1.451 114.158 115.700 -0.152 0.000 2.761 489 S HA 0.429 4.897 4.470 -0.003 0.000 0.273 489 S C 1.134 175.708 174.600 -0.044 0.000 1.073 489 S CA 0.298 58.426 58.200 -0.121 0.000 1.048 489 S CB 1.149 64.048 63.200 -0.501 0.000 0.955 489 S HN 0.528 nan 8.310 nan 0.000 0.500 490 G N 1.916 110.676 108.800 -0.067 0.000 2.741 490 G HA2 -0.090 3.868 3.960 -0.003 0.000 0.222 490 G HA3 -0.090 3.868 3.960 -0.003 0.000 0.222 490 G C -0.251 174.627 174.900 -0.036 0.000 1.364 490 G CA -0.315 44.765 45.100 -0.033 0.000 0.866 490 G HN 0.626 nan 8.290 nan 0.000 0.555 491 L N 1.096 122.311 121.223 -0.015 0.000 2.762 491 L HA 0.440 4.778 4.340 -0.003 0.000 0.250 491 L C 1.110 177.978 176.870 -0.002 0.000 1.160 491 L CA 1.327 56.162 54.840 -0.009 0.000 0.951 491 L CB -1.166 40.894 42.059 0.003 0.000 1.148 491 L HN 0.667 nan 8.230 nan 0.000 0.424 492 E N -0.705 119.493 120.200 -0.004 0.000 2.558 492 E HA 0.424 4.772 4.350 -0.003 0.000 0.345 492 E C -1.778 174.833 176.600 0.018 0.000 0.928 492 E CA -0.107 56.300 56.400 0.010 0.000 0.774 492 E CB 1.250 30.960 29.700 0.017 0.000 1.462 492 E HN -0.139 nan 8.360 nan 0.000 0.387 493 V N 3.264 123.186 119.914 0.013 0.000 2.841 493 V HA 0.486 4.604 4.120 -0.003 0.000 0.310 493 V C -0.396 175.734 176.094 0.060 0.000 1.090 493 V CA -1.107 61.205 62.300 0.020 0.000 0.930 493 V CB 2.239 34.000 31.823 -0.103 0.000 1.014 493 V HN 0.567 nan 8.190 nan 0.000 0.425 494 N N 3.802 122.564 118.700 0.103 0.000 2.419 494 N HA 0.645 5.383 4.740 -0.003 0.000 0.277 494 N C -1.190 174.362 175.510 0.070 0.000 1.006 494 N CA -0.301 52.829 53.050 0.133 0.000 0.923 494 N CB 2.574 41.145 38.487 0.139 0.000 1.140 494 N HN 0.550 nan 8.380 nan 0.000 0.488 495 I N 1.762 122.334 120.570 0.004 0.000 2.410 495 I HA 0.188 4.356 4.170 -0.003 0.000 0.286 495 I C -0.125 175.930 176.117 -0.104 0.000 1.009 495 I CA -1.038 60.233 61.300 -0.048 0.000 1.111 495 I CB 2.103 40.055 38.000 -0.080 0.000 1.262 495 I HN 0.132 nan 8.210 nan 0.000 0.443 496 V N 5.508 125.311 119.914 -0.185 0.000 2.394 496 V HA 0.610 4.728 4.120 -0.003 0.000 0.282 496 V C -0.303 175.731 176.094 -0.100 0.000 1.031 496 V CA 0.353 62.534 62.300 -0.199 0.000 0.881 496 V CB 1.688 33.296 31.823 -0.358 0.000 0.982 496 V HN 0.827 nan 8.190 nan 0.000 0.451 497 T N 3.353 117.883 114.554 -0.040 0.000 2.927 497 T HA 0.498 4.846 4.350 -0.003 0.000 0.286 497 T C 0.052 174.715 174.700 -0.061 0.000 1.040 497 T CA 0.139 62.248 62.100 0.014 0.000 1.010 497 T CB 1.709 70.624 68.868 0.080 0.000 1.177 497 T HN 0.953 nan 8.240 nan 0.000 0.546 498 D N 0.092 120.478 120.400 -0.023 0.000 2.513 498 D HA 0.152 4.790 4.640 -0.003 0.000 0.222 498 D C 0.032 176.502 176.300 0.284 0.000 1.210 498 D CA -0.226 53.690 54.000 -0.140 0.000 0.825 498 D CB 0.116 40.813 40.800 -0.172 0.000 1.037 498 D HN 0.234 nan 8.370 nan 0.000 0.506 499 S N 0.537 116.449 115.700 0.354 0.000 2.448 499 S HA 0.157 4.625 4.470 -0.003 0.000 0.320 499 S C 1.093 175.894 174.600 0.335 0.000 1.071 499 S CA -0.457 57.951 58.200 0.347 0.000 1.113 499 S CB 1.316 64.662 63.200 0.245 0.000 0.972 499 S HN 0.054 nan 8.310 nan 0.000 0.465 500 Q N 3.256 123.184 119.800 0.213 0.000 2.079 500 Q HA -0.162 4.176 4.340 -0.003 0.000 0.200 500 Q C 1.249 177.252 176.000 0.005 0.000 0.974 500 Q CA 1.570 57.314 55.803 -0.098 0.000 0.840 500 Q CB -0.353 28.213 28.738 -0.287 0.000 0.898 500 Q HN 0.980 nan 8.270 nan 0.000 0.430 501 Y N 1.612 121.905 120.300 -0.011 0.000 2.069 501 Y HA -0.343 4.205 4.550 -0.003 0.000 0.278 501 Y C 2.309 178.222 175.900 0.022 0.000 1.175 501 Y CA 1.791 59.896 58.100 0.009 0.000 1.134 501 Y CB -0.610 37.870 38.460 0.034 0.000 0.965 501 Y HN 0.083 nan 8.280 nan 0.000 0.498 502 A N 0.828 123.620 122.820 -0.046 0.000 1.865 502 A HA -0.201 4.117 4.320 -0.003 0.000 0.217 502 A C 2.470 179.985 177.584 -0.114 0.000 1.191 502 A CA 1.818 53.777 52.037 -0.130 0.000 0.623 502 A CB -1.355 17.675 19.000 0.050 0.000 0.826 502 A HN 0.648 nan 8.150 nan 0.000 0.444 503 L N -0.663 120.542 121.223 -0.029 0.000 2.013 503 L HA -0.200 4.138 4.340 -0.003 0.000 0.212 503 L C 2.661 179.495 176.870 -0.061 0.000 1.073 503 L CA 1.775 56.597 54.840 -0.029 0.000 0.753 503 L CB -0.886 41.167 42.059 -0.010 0.000 0.890 503 L HN 0.502 nan 8.230 nan 0.000 0.432 504 G N 0.063 108.802 108.800 -0.101 0.000 2.476 504 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.218 504 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.218 504 G C 1.495 176.385 174.900 -0.016 0.000 1.164 504 G CA 1.161 46.212 45.100 -0.082 0.000 0.768 504 G HN 0.415 nan 8.290 nan 0.000 0.560 505 I N 0.441 120.936 120.570 -0.126 0.000 2.179 505 I HA -0.146 4.022 4.170 -0.003 0.000 0.242 505 I C 2.669 178.781 176.117 -0.010 0.000 1.088 505 I CA 0.989 62.218 61.300 -0.117 0.000 1.357 505 I CB -0.218 37.543 38.000 -0.397 0.000 1.051 505 I HN 0.148 nan 8.210 nan 0.000 0.409 506 I N 0.003 120.560 120.570 -0.022 0.000 2.286 506 I HA -0.275 3.893 4.170 -0.003 0.000 0.245 506 I C 2.600 178.817 176.117 0.166 0.000 1.104 506 I CA 1.167 62.510 61.300 0.072 0.000 1.397 506 I CB -0.344 37.664 38.000 0.012 0.000 1.072 506 I HN 0.248 nan 8.210 nan 0.000 0.417 507 Q N 0.955 120.824 119.800 0.115 0.000 2.234 507 Q HA -0.119 4.219 4.340 -0.003 0.000 0.206 507 Q C 1.684 177.807 176.000 0.205 0.000 0.980 507 Q CA 1.450 57.333 55.803 0.134 0.000 0.869 507 Q CB -0.024 28.763 28.738 0.081 0.000 0.912 507 Q HN 0.558 nan 8.270 nan 0.000 0.436 508 A N -0.039 122.943 122.820 0.271 0.000 2.476 508 A HA 0.092 4.410 4.320 -0.003 0.000 0.263 508 A C -0.323 177.466 177.584 0.342 0.000 1.342 508 A CA -0.211 52.055 52.037 0.382 0.000 0.926 508 A CB -0.157 19.163 19.000 0.534 0.000 1.019 508 A HN 0.460 nan 8.150 nan 0.000 0.515 509 Q N -0.257 119.674 119.800 0.218 0.000 2.417 509 Q HA -0.149 4.189 4.340 -0.003 0.000 0.350 509 Q C -2.232 173.764 176.000 -0.007 0.000 1.364 509 Q CA 0.477 56.256 55.803 -0.041 0.000 1.024 509 Q CB -1.476 27.153 28.738 -0.182 0.000 1.235 509 Q HN 0.583 nan 8.270 nan 0.000 0.388 510 P HA -0.013 nan 4.420 nan 0.000 0.271 510 P C -0.153 177.229 177.300 0.136 0.000 1.218 510 P CA 0.307 63.481 63.100 0.123 0.000 0.780 510 P CB 0.826 32.614 31.700 0.146 0.000 0.901 511 D N 0.071 120.502 120.400 0.051 0.000 2.540 511 D HA 0.061 4.699 4.640 -0.003 0.000 0.229 511 D C -0.026 176.230 176.300 -0.074 0.000 1.250 511 D CA -0.109 53.876 54.000 -0.025 0.000 0.817 511 D CB 0.203 40.936 40.800 -0.112 0.000 1.060 511 D HN 0.474 nan 8.370 nan 0.000 0.508 512 Q N -1.588 118.211 119.800 -0.001 0.000 2.503 512 Q HA 0.525 4.863 4.340 -0.003 0.000 0.268 512 Q C -1.707 174.334 176.000 0.069 0.000 0.982 512 Q CA -0.878 54.926 55.803 0.002 0.000 0.907 512 Q CB 1.354 30.087 28.738 -0.008 0.000 1.467 512 Q HN -0.037 nan 8.270 nan 0.000 0.394 513 S N 0.290 116.033 115.700 0.072 0.000 2.588 513 S HA 0.330 4.798 4.470 -0.003 0.000 0.275 513 S C -0.621 174.032 174.600 0.088 0.000 1.130 513 S CA -0.456 57.838 58.200 0.157 0.000 0.855 513 S CB 2.047 65.392 63.200 0.242 0.000 1.116 513 S HN 0.687 nan 8.310 nan 0.000 0.472 514 E N 1.092 121.340 120.200 0.080 0.000 2.445 514 E HA 0.170 4.518 4.350 -0.003 0.000 0.189 514 E C -0.409 176.228 176.600 0.061 0.000 1.069 514 E CA -0.055 56.367 56.400 0.036 0.000 0.871 514 E CB 0.588 30.284 29.700 -0.006 0.000 0.991 514 E HN 0.340 nan 8.360 nan 0.000 0.481 515 S N -0.024 115.739 115.700 0.105 0.000 2.605 515 S HA 0.161 4.629 4.470 -0.003 0.000 0.308 515 S C 0.525 175.143 174.600 0.029 0.000 1.113 515 S CA -0.676 57.578 58.200 0.089 0.000 1.049 515 S CB 1.594 64.894 63.200 0.167 0.000 1.001 515 S HN -0.009 nan 8.310 nan 0.000 0.480 516 E N 3.170 123.367 120.200 -0.004 0.000 2.077 516 E HA -0.080 4.268 4.350 -0.003 0.000 0.193 516 E C 1.673 178.211 176.600 -0.103 0.000 0.989 516 E CA 1.386 57.758 56.400 -0.046 0.000 0.800 516 E CB -0.232 29.443 29.700 -0.041 0.000 0.746 516 E HN 0.679 nan 8.360 nan 0.000 0.452 517 L N -0.279 120.882 121.223 -0.104 0.000 2.012 517 L HA -0.151 4.187 4.340 -0.003 0.000 0.210 517 L C 2.168 178.910 176.870 -0.213 0.000 1.073 517 L CA 1.572 56.299 54.840 -0.189 0.000 0.748 517 L CB -0.711 41.288 42.059 -0.099 0.000 0.891 517 L HN 0.090 nan 8.230 nan 0.000 0.431 518 V N 0.019 119.861 119.914 -0.119 0.000 2.407 518 V HA -0.289 3.829 4.120 -0.003 0.000 0.248 518 V C 2.187 178.206 176.094 -0.126 0.000 1.055 518 V CA 2.086 64.306 62.300 -0.134 0.000 1.049 518 V CB -1.071 30.663 31.823 -0.149 0.000 0.662 518 V HN 0.543 nan 8.190 nan 0.000 0.455 519 N N -0.290 118.347 118.700 -0.104 0.000 2.244 519 N HA -0.165 4.573 4.740 -0.003 0.000 0.183 519 N C 1.929 177.357 175.510 -0.137 0.000 1.016 519 N CA 0.985 53.976 53.050 -0.098 0.000 0.866 519 N CB -0.152 38.289 38.487 -0.075 0.000 0.980 519 N HN 0.575 nan 8.380 nan 0.000 0.430 520 Q N 0.471 120.139 119.800 -0.220 0.000 2.050 520 Q HA -0.097 4.241 4.340 -0.003 0.000 0.202 520 Q C 1.953 177.831 176.000 -0.203 0.000 0.980 520 Q CA 1.033 56.658 55.803 -0.296 0.000 0.840 520 Q CB -0.136 28.184 28.738 -0.696 0.000 0.898 520 Q HN 0.463 nan 8.270 nan 0.000 0.424 521 I N 0.549 120.982 120.570 -0.228 0.000 2.208 521 I HA -0.309 3.859 4.170 -0.003 0.000 0.245 521 I C 2.189 178.232 176.117 -0.123 0.000 1.097 521 I CA 1.187 62.435 61.300 -0.087 0.000 1.363 521 I CB -0.283 37.657 38.000 -0.100 0.000 1.051 521 I HN 0.189 nan 8.210 nan 0.000 0.413 522 I N 0.631 121.124 120.570 -0.128 0.000 2.179 522 I HA -0.327 3.841 4.170 -0.003 0.000 0.242 522 I C 2.701 178.759 176.117 -0.098 0.000 1.088 522 I CA 1.714 62.943 61.300 -0.120 0.000 1.357 522 I CB -0.531 37.450 38.000 -0.032 0.000 1.051 522 I HN 0.324 nan 8.210 nan 0.000 0.409 523 E N 0.744 120.902 120.200 -0.071 0.000 2.130 523 E HA -0.302 4.046 4.350 -0.003 0.000 0.196 523 E C 2.079 178.670 176.600 -0.016 0.000 0.998 523 E CA 1.409 57.786 56.400 -0.038 0.000 0.806 523 E CB 0.003 29.686 29.700 -0.029 0.000 0.738 523 E HN 0.505 nan 8.360 nan 0.000 0.459 524 Q N 0.171 119.962 119.800 -0.014 0.000 2.096 524 Q HA -0.040 4.298 4.340 -0.003 0.000 0.197 524 Q C 2.543 178.494 176.000 -0.082 0.000 0.964 524 Q CA 0.766 56.559 55.803 -0.016 0.000 0.838 524 Q CB -0.150 28.608 28.738 0.033 0.000 0.906 524 Q HN 0.408 nan 8.270 nan 0.000 0.444 525 L N 0.321 121.435 121.223 -0.182 0.000 2.131 525 L HA -0.142 4.196 4.340 -0.003 0.000 0.210 525 L C 2.272 179.055 176.870 -0.146 0.000 1.092 525 L CA 0.766 55.417 54.840 -0.314 0.000 0.759 525 L CB -0.314 41.241 42.059 -0.839 0.000 0.903 525 L HN 0.154 nan 8.230 nan 0.000 0.435 526 I N -0.645 119.912 120.570 -0.021 0.000 2.286 526 I HA -0.246 3.922 4.170 -0.003 0.000 0.245 526 I C 2.354 178.530 176.117 0.098 0.000 1.104 526 I CA 1.154 62.541 61.300 0.146 0.000 1.397 526 I CB -0.271 37.867 38.000 0.229 0.000 1.072 526 I HN 0.129 nan 8.210 nan 0.000 0.417 527 K N 0.727 121.155 120.400 0.047 0.000 2.280 527 K HA -0.112 4.206 4.320 -0.003 0.000 0.202 527 K C 0.926 177.538 176.600 0.020 0.000 1.047 527 K CA 0.799 57.106 56.287 0.034 0.000 0.942 527 K CB 0.031 32.541 32.500 0.016 0.000 0.739 527 K HN 0.038 nan 8.250 nan 0.000 0.457 528 K N 0.336 120.738 120.400 0.004 0.000 2.136 528 K HA 0.003 4.321 4.320 -0.003 0.000 0.237 528 K C 0.875 177.491 176.600 0.027 0.000 1.048 528 K CA 0.572 56.858 56.287 -0.002 0.000 0.880 528 K CB 0.536 33.018 32.500 -0.031 0.000 1.105 528 K HN -0.040 nan 8.250 nan 0.000 0.507 529 E N -0.351 119.864 120.200 0.025 0.000 2.475 529 E HA 0.146 4.494 4.350 -0.003 0.000 0.205 529 E C -0.729 175.897 176.600 0.044 0.000 0.822 529 E CA 0.181 56.603 56.400 0.036 0.000 1.240 529 E CB 0.637 30.352 29.700 0.026 0.000 1.222 529 E HN 0.253 nan 8.360 nan 0.000 0.581 530 K N 1.133 121.556 120.400 0.038 0.000 2.637 530 K HA 0.400 4.718 4.320 -0.003 0.000 0.248 530 K C -1.595 175.037 176.600 0.053 0.000 0.971 530 K CA -0.446 55.873 56.287 0.052 0.000 0.858 530 K CB 2.883 35.410 32.500 0.044 0.000 1.170 530 K HN -0.149 nan 8.250 nan 0.000 0.443 531 V N 3.174 123.131 119.914 0.072 0.000 2.487 531 V HA 0.337 4.455 4.120 -0.003 0.000 0.298 531 V C -1.186 174.987 176.094 0.132 0.000 1.028 531 V CA -0.961 61.377 62.300 0.062 0.000 0.860 531 V CB 1.227 33.052 31.823 0.003 0.000 0.991 531 V HN 0.648 nan 8.190 nan 0.000 0.427 532 Y N 5.526 125.825 120.300 -0.002 0.000 2.341 532 Y HA 0.765 5.313 4.550 -0.003 0.000 0.338 532 Y C -0.991 174.907 175.900 -0.003 0.000 0.965 532 Y CA -0.962 57.142 58.100 0.006 0.000 1.108 532 Y CB 1.688 40.149 38.460 0.002 0.000 1.180 532 Y HN 0.617 nan 8.280 nan 0.000 0.458 533 L N 5.781 126.667 121.223 -0.562 0.000 2.346 533 L HA 0.963 5.301 4.340 -0.003 0.000 0.276 533 L C -1.229 175.241 176.870 -0.666 0.000 1.006 533 L CA -0.410 54.166 54.840 -0.440 0.000 0.817 533 L CB 1.567 43.506 42.059 -0.200 0.000 1.272 533 L HN 0.775 nan 8.230 nan 0.000 0.421 534 A N 3.426 126.024 122.820 -0.369 0.000 2.587 534 A HA 0.678 4.996 4.320 -0.003 0.000 0.293 534 A C -2.335 175.270 177.584 0.036 0.000 1.087 534 A CA -0.551 51.373 52.037 -0.187 0.000 0.692 534 A CB 0.886 19.829 19.000 -0.095 0.000 1.291 534 A HN 0.775 nan 8.150 nan 0.000 0.407 535 W N 1.538 122.795 121.300 -0.072 0.000 2.606 535 W HA 0.612 5.270 4.660 -0.003 0.000 0.332 535 W C -0.777 175.744 176.519 0.004 0.000 1.052 535 W CA -0.376 56.950 57.345 -0.031 0.000 1.223 535 W CB 1.875 31.317 29.460 -0.030 0.000 1.383 535 W HN 0.946 nan 8.180 nan 0.000 0.524 536 V N 3.772 123.161 119.914 -0.875 0.000 2.914 536 V HA 0.732 4.850 4.120 -0.003 0.000 0.314 536 V C -2.552 172.541 176.094 -1.668 0.000 1.084 536 V CA -2.974 58.768 62.300 -0.930 0.000 0.963 536 V CB 1.642 33.244 31.823 -0.368 0.000 1.025 536 V HN 0.523 nan 8.190 nan 0.000 0.432 537 P HA 0.331 nan 4.420 nan 0.000 0.275 537 P C -0.226 176.844 177.300 -0.384 0.000 1.227 537 P CA 0.205 62.838 63.100 -0.778 0.000 0.781 537 P CB 1.105 32.650 31.700 -0.258 0.000 0.906 538 A N 3.449 126.150 122.820 -0.198 0.000 2.440 538 A HA 0.205 4.523 4.320 -0.003 0.000 0.251 538 A C 0.347 177.887 177.584 -0.073 0.000 1.089 538 A CA -0.041 51.886 52.037 -0.184 0.000 0.779 538 A CB -0.808 18.131 19.000 -0.101 0.000 1.022 538 A HN 0.773 nan 8.150 nan 0.000 0.492 539 H N 1.103 120.148 119.070 -0.041 0.000 2.827 539 H HA -0.085 4.469 4.556 -0.003 0.000 0.330 539 H C -0.394 174.916 175.328 -0.029 0.000 1.236 539 H CA 1.079 57.110 56.048 -0.027 0.000 1.165 539 H CB -0.865 28.891 29.762 -0.009 0.000 1.532 539 H HN 0.708 nan 8.280 nan 0.000 0.434 540 K N 0.057 120.472 120.400 0.025 0.000 3.012 540 K HA 0.204 4.522 4.320 -0.003 0.000 0.207 540 K C 0.984 177.579 176.600 -0.009 0.000 1.130 540 K CA 0.327 56.620 56.287 0.010 0.000 1.021 540 K CB 0.816 33.309 32.500 -0.013 0.000 0.736 540 K HN 0.634 nan 8.250 nan 0.000 0.448 541 G N 2.240 111.038 108.800 -0.004 0.000 2.371 541 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.299 541 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.299 541 G C -0.106 174.769 174.900 -0.042 0.000 1.014 541 G CA 0.104 45.192 45.100 -0.020 0.000 1.097 541 G HN 0.272 nan 8.290 nan 0.000 0.512 542 I N 0.513 121.045 120.570 -0.064 0.000 2.353 542 I HA 0.546 4.714 4.170 -0.003 0.000 0.293 542 I C 1.861 177.895 176.117 -0.139 0.000 0.992 542 I CA 0.138 61.395 61.300 -0.072 0.000 1.268 542 I CB 0.983 38.952 38.000 -0.053 0.000 1.387 542 I HN 0.213 nan 8.210 nan 0.000 0.478 543 G N 4.456 113.166 108.800 -0.150 0.000 2.907 543 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.235 543 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.235 543 G C 1.404 176.039 174.900 -0.442 0.000 1.198 543 G CA 1.304 46.259 45.100 -0.242 0.000 0.766 543 G HN 0.884 nan 8.290 nan 0.000 0.763 544 G N -0.050 108.153 108.800 -0.995 0.000 2.448 544 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.218 544 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.218 544 G C 1.617 176.098 174.900 -0.698 0.000 1.135 544 G CA 1.144 45.446 45.100 -1.329 0.000 0.784 544 G HN 0.584 nan 8.290 nan 0.000 0.543 545 N N 0.677 119.116 118.700 -0.436 0.000 2.106 545 N HA -0.117 4.621 4.740 -0.003 0.000 0.188 545 N C 2.023 177.458 175.510 -0.125 0.000 1.029 545 N CA 1.272 54.269 53.050 -0.088 0.000 0.848 545 N CB -0.207 38.262 38.487 -0.030 0.000 1.007 545 N HN 0.436 nan 8.380 nan 0.000 0.423 546 E N 0.099 120.214 120.200 -0.142 0.000 2.204 546 E HA -0.205 4.143 4.350 -0.003 0.000 0.195 546 E C 1.813 178.366 176.600 -0.077 0.000 0.990 546 E CA 0.939 57.282 56.400 -0.095 0.000 0.821 546 E CB 0.184 29.843 29.700 -0.067 0.000 0.750 546 E HN 0.390 nan 8.360 nan 0.000 0.477 547 Q N -0.306 119.428 119.800 -0.110 0.000 1.965 547 Q HA -0.149 4.189 4.340 -0.003 0.000 0.200 547 Q C 2.344 178.315 176.000 -0.048 0.000 0.981 547 Q CA 2.106 57.858 55.803 -0.084 0.000 0.834 547 Q CB -0.162 28.505 28.738 -0.118 0.000 0.900 547 Q HN 0.304 nan 8.270 nan 0.000 0.426 548 V N -0.448 119.446 119.914 -0.033 0.000 2.469 548 V HA -0.257 3.861 4.120 -0.003 0.000 0.251 548 V C 1.969 178.063 176.094 -0.001 0.000 1.064 548 V CA 2.145 64.449 62.300 0.006 0.000 1.066 548 V CB -0.888 30.974 31.823 0.065 0.000 0.667 548 V HN 0.399 nan 8.190 nan 0.000 0.461 549 D N 1.968 122.354 120.400 -0.023 0.000 2.097 549 D HA -0.278 4.360 4.640 -0.003 0.000 0.195 549 D C 2.156 178.465 176.300 0.016 0.000 0.989 549 D CA 2.201 56.187 54.000 -0.024 0.000 0.827 549 D CB 0.085 40.823 40.800 -0.104 0.000 0.966 549 D HN 0.672 nan 8.370 nan 0.000 0.456 550 K N 0.428 120.835 120.400 0.012 0.000 2.211 550 K HA -0.127 4.191 4.320 -0.003 0.000 0.203 550 K C 2.203 178.806 176.600 0.006 0.000 1.050 550 K CA 0.811 57.109 56.287 0.018 0.000 0.945 550 K CB -0.563 31.942 32.500 0.008 0.000 0.732 550 K HN 0.166 nan 8.250 nan 0.000 0.451 551 L N 0.837 122.057 121.223 -0.004 0.000 2.179 551 L HA 0.017 4.355 4.340 -0.003 0.000 0.208 551 L C 2.013 178.879 176.870 -0.007 0.000 1.096 551 L CA 1.208 56.041 54.840 -0.012 0.000 0.779 551 L CB 0.120 42.165 42.059 -0.023 0.000 0.922 551 L HN 0.265 nan 8.230 nan 0.000 0.443 552 V N -5.622 114.295 119.914 0.004 0.000 3.174 552 V HA 0.115 4.233 4.120 -0.003 0.000 0.254 552 V C 1.948 178.054 176.094 0.020 0.000 1.120 552 V CA 1.121 63.428 62.300 0.011 0.000 1.114 552 V CB -0.335 31.501 31.823 0.021 0.000 0.756 552 V HN 0.302 nan 8.190 nan 0.000 0.467 553 S N 1.266 116.982 115.700 0.027 0.000 2.607 553 S HA 0.428 4.896 4.470 -0.003 0.000 0.224 553 S C 1.233 175.846 174.600 0.021 0.000 0.969 553 S CA 0.526 58.747 58.200 0.034 0.000 0.927 553 S CB -0.442 62.791 63.200 0.056 0.000 0.772 553 S HN 0.855 nan 8.310 nan 0.000 0.533 554 A N 1.114 123.942 122.820 0.013 0.000 2.489 554 A HA 0.488 4.806 4.320 -0.003 0.000 0.289 554 A C 1.430 179.018 177.584 0.006 0.000 1.216 554 A CA 0.309 52.350 52.037 0.006 0.000 0.883 554 A CB -1.075 17.924 19.000 -0.001 0.000 1.110 554 A HN 0.756 nan 8.150 nan 0.000 0.523 555 G N 1.787 110.591 108.800 0.006 0.000 2.162 555 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.260 555 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.260 555 G C 0.536 175.441 174.900 0.008 0.000 0.976 555 G CA 0.463 45.566 45.100 0.006 0.000 0.655 555 G HN 0.652 nan 8.290 nan 0.000 0.533 556 I N -0.139 120.438 120.570 0.012 0.000 3.565 556 I HA 0.257 4.425 4.170 -0.003 0.000 0.287 556 I C 1.596 177.723 176.117 0.017 0.000 1.193 556 I CA 1.469 62.778 61.300 0.015 0.000 1.402 556 I CB -0.440 37.572 38.000 0.019 0.000 1.284 556 I HN 0.599 nan 8.210 nan 0.000 0.454 557 R N 0.000 120.511 120.500 0.019 0.000 2.786 557 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 557 R CA 0.000 56.110 56.100 0.017 0.000 0.921 557 R CB 0.000 30.316 30.300 0.026 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535