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 1o6u_1_C DATA FIRST_RESID 2 DATA SEQUENCE SGRVGDLSPR QKEALAKFRE NVQDVLPALP NPDDYFLLRW LRARSFDLQK DATA SEQUENCE SEAXLRKHVE FRKQKDIDNI ISWQPPEVIQ QYLSGGXCGY DLDGCPVWYD DATA SEQUENCE IIGPLDAKGL LFSASKQDLL RTKXRECELL LQECAHQTTK LGRKVETITI DATA SEQUENCE IYDCEGLGLK HLWKPAVEAY GEFLCXFEEN YPETLKRLFV VKAPKLFPVA DATA SEQUENCE YNLIKPFLSE DTRKKIXVLG ANWKEVLLKH ISPDQVPVEY GGTXTDPDGN DATA SEQUENCE PKCKSKINYG GDIPRKYYVR DQVKQQYEHS VQISRGSSHQ VEYEILFPGC DATA SEQUENCE VLRWQFXSDG ADVGFGIFLK TXXXXXXXXX EXTEVLPNQR YNSHLVPEDG DATA SEQUENCE TLTCSDPGIY VLRFDNTYSF IHAKKVNFTV EVLLPDKASE EKXKQ 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.632 174.600 0.053 0.000 1.055 2 S CA 0.000 58.207 58.200 0.011 0.000 1.107 2 S CB 0.000 63.211 63.200 0.019 0.000 0.593 3 G N 1.839 110.653 108.800 0.024 0.000 2.182 3 G HA2 -0.231 3.909 3.960 0.300 0.000 0.248 3 G HA3 -0.231 3.909 3.960 0.300 0.000 0.248 3 G C -0.181 174.843 174.900 0.206 0.000 1.042 3 G CA 0.270 45.459 45.100 0.148 0.000 0.775 3 G HN 0.764 nan 8.290 nan 0.000 0.501 4 R N -1.106 119.444 120.500 0.084 0.000 2.803 4 R HA 0.605 5.125 4.340 0.300 0.000 0.276 4 R C 0.459 176.765 176.300 0.009 0.000 0.978 4 R CA -1.027 55.105 56.100 0.055 0.000 0.939 4 R CB 1.937 32.270 30.300 0.055 0.000 1.179 4 R HN 0.090 nan 8.270 nan 0.000 0.472 5 V N 1.997 121.879 119.914 -0.053 0.000 2.644 5 V HA 0.035 4.335 4.120 0.300 0.000 0.305 5 V C 1.412 177.487 176.094 -0.032 0.000 1.053 5 V CA 2.070 64.293 62.300 -0.129 0.000 1.186 5 V CB 0.667 32.248 31.823 -0.404 0.000 0.895 5 V HN 1.146 nan 8.190 nan 0.000 0.490 6 G N 3.993 112.776 108.800 -0.028 0.000 2.176 6 G HA2 -0.230 3.910 3.960 0.300 0.000 0.253 6 G HA3 -0.230 3.910 3.960 0.300 0.000 0.253 6 G C 0.062 174.962 174.900 0.000 0.000 0.979 6 G CA 0.363 45.464 45.100 0.001 0.000 0.641 6 G HN 0.953 nan 8.290 nan 0.000 0.530 7 D N -0.238 120.158 120.400 -0.007 0.000 3.407 7 D HA 0.369 5.189 4.640 0.300 0.000 0.291 7 D C 0.079 176.361 176.300 -0.030 0.000 1.309 7 D CA -0.396 53.596 54.000 -0.013 0.000 0.747 7 D CB -0.288 40.511 40.800 -0.001 0.000 1.343 7 D HN 0.314 nan 8.370 nan 0.000 0.631 8 L N 1.152 122.350 121.223 -0.042 0.000 2.317 8 L HA 0.558 5.078 4.340 0.300 0.000 0.281 8 L C 0.847 177.663 176.870 -0.091 0.000 1.024 8 L CA -0.897 53.898 54.840 -0.073 0.000 0.810 8 L CB 1.818 43.848 42.059 -0.050 0.000 1.240 8 L HN 0.208 nan 8.230 nan 0.000 0.427 9 S N 2.386 118.001 115.700 -0.141 0.000 2.632 9 S HA 0.347 4.997 4.470 0.300 0.000 0.267 9 S C -1.661 172.872 174.600 -0.111 0.000 1.276 9 S CA -1.087 57.039 58.200 -0.124 0.000 0.998 9 S CB 0.973 64.079 63.200 -0.156 0.000 0.953 9 S HN 0.513 nan 8.310 nan 0.000 0.547 10 P HA -0.167 nan 4.420 nan 0.000 0.218 10 P C 1.420 178.677 177.300 -0.072 0.000 1.148 10 P CA 1.134 64.197 63.100 -0.061 0.000 0.822 10 P CB 0.039 31.711 31.700 -0.046 0.000 0.784 11 R N 0.334 120.774 120.500 -0.100 0.000 2.090 11 R HA -0.093 4.427 4.340 0.300 0.000 0.228 11 R C 2.474 178.683 176.300 -0.152 0.000 1.110 11 R CA 1.327 57.362 56.100 -0.108 0.000 0.973 11 R CB -0.349 29.879 30.300 -0.120 0.000 0.869 11 R HN 0.175 nan 8.270 nan 0.000 0.440 12 Q N -0.002 119.638 119.800 -0.266 0.000 2.123 12 Q HA -0.103 4.417 4.340 0.300 0.000 0.199 12 Q C 1.970 177.914 176.000 -0.093 0.000 0.966 12 Q CA 1.259 56.821 55.803 -0.403 0.000 0.845 12 Q CB 0.086 28.405 28.738 -0.697 0.000 0.907 12 Q HN 0.276 nan 8.270 nan 0.000 0.439 13 K N 0.934 121.293 120.400 -0.067 0.000 2.057 13 K HA -0.167 4.333 4.320 0.300 0.000 0.207 13 K C 1.923 178.540 176.600 0.027 0.000 1.049 13 K CA 1.179 57.464 56.287 -0.003 0.000 0.931 13 K CB 0.038 32.528 32.500 -0.017 0.000 0.714 13 K HN 0.261 nan 8.250 nan 0.000 0.440 14 E N 0.396 120.601 120.200 0.008 0.000 2.051 14 E HA -0.192 4.338 4.350 0.300 0.000 0.192 14 E C 2.065 178.705 176.600 0.067 0.000 0.991 14 E CA 1.089 57.506 56.400 0.028 0.000 0.799 14 E CB -0.113 29.592 29.700 0.008 0.000 0.748 14 E HN 0.305 nan 8.360 nan 0.000 0.449 15 A N 1.392 124.262 122.820 0.082 0.000 1.883 15 A HA -0.204 4.296 4.320 0.300 0.000 0.217 15 A C 2.202 179.904 177.584 0.196 0.000 1.186 15 A CA 1.355 53.480 52.037 0.146 0.000 0.624 15 A CB -0.685 18.449 19.000 0.224 0.000 0.822 15 A HN 0.258 nan 8.150 nan 0.000 0.444 16 L N -0.194 121.155 121.223 0.210 0.000 2.042 16 L HA -0.115 4.405 4.340 0.300 0.000 0.210 16 L C 2.611 179.605 176.870 0.207 0.000 1.076 16 L CA 2.341 57.319 54.840 0.229 0.000 0.749 16 L CB -0.855 41.316 42.059 0.187 0.000 0.893 16 L HN 0.355 nan 8.230 nan 0.000 0.432 17 A N -0.478 122.424 122.820 0.138 0.000 1.877 17 A HA -0.228 4.272 4.320 0.300 0.000 0.216 17 A C 2.327 179.974 177.584 0.105 0.000 1.186 17 A CA 2.043 54.140 52.037 0.100 0.000 0.620 17 A CB -0.523 18.516 19.000 0.065 0.000 0.822 17 A HN 0.538 nan 8.150 nan 0.000 0.443 18 K N -1.676 118.796 120.400 0.120 0.000 2.097 18 K HA -0.069 4.431 4.320 0.300 0.000 0.205 18 K C 1.784 178.480 176.600 0.159 0.000 1.050 18 K CA 1.328 57.683 56.287 0.112 0.000 0.938 18 K CB -0.313 32.251 32.500 0.106 0.000 0.718 18 K HN 0.447 nan 8.250 nan 0.000 0.442 19 F N 2.467 122.435 119.950 0.030 0.000 2.075 19 F HA -0.176 4.531 4.527 0.300 0.000 0.297 19 F C 2.460 178.269 175.800 0.015 0.000 1.113 19 F CA 1.443 59.455 58.000 0.019 0.000 1.218 19 F CB -0.277 38.737 39.000 0.024 0.000 0.984 19 F HN -0.143 nan 8.300 nan 0.000 0.472 20 R N 0.424 120.943 120.500 0.032 0.000 2.105 20 R HA -0.188 4.332 4.340 0.300 0.000 0.239 20 R C 2.123 178.365 176.300 -0.097 0.000 1.135 20 R CA 2.061 58.114 56.100 -0.078 0.000 0.967 20 R CB -0.354 29.962 30.300 0.026 0.000 0.861 20 R HN 0.439 nan 8.270 nan 0.000 0.442 21 E N -0.188 119.989 120.200 -0.038 0.000 2.106 21 E HA -0.133 4.397 4.350 0.300 0.000 0.192 21 E C 1.663 178.224 176.600 -0.066 0.000 0.984 21 E CA 0.943 57.321 56.400 -0.037 0.000 0.806 21 E CB -0.060 29.639 29.700 -0.002 0.000 0.750 21 E HN 0.418 nan 8.360 nan 0.000 0.458 22 N N 0.710 119.364 118.700 -0.076 0.000 2.244 22 N HA -0.109 4.811 4.740 0.300 0.000 0.183 22 N C 1.721 177.136 175.510 -0.158 0.000 1.016 22 N CA 1.260 54.259 53.050 -0.086 0.000 0.866 22 N CB 0.149 38.619 38.487 -0.029 0.000 0.980 22 N HN 0.168 nan 8.380 nan 0.000 0.430 23 V N -1.772 117.978 119.914 -0.275 0.000 3.376 23 V HA 0.247 4.547 4.120 0.300 0.000 0.313 23 V C 1.761 177.733 176.094 -0.204 0.000 1.393 23 V CA -0.056 62.069 62.300 -0.292 0.000 1.125 23 V CB 0.264 31.784 31.823 -0.504 0.000 1.037 23 V HN -0.144 nan 8.190 nan 0.000 0.440 24 Q N 3.041 122.751 119.800 -0.149 0.000 2.197 24 Q HA -0.248 4.272 4.340 0.300 0.000 0.207 24 Q C 1.851 177.797 176.000 -0.089 0.000 0.984 24 Q CA 2.600 58.342 55.803 -0.102 0.000 0.869 24 Q CB -0.327 28.368 28.738 -0.072 0.000 0.906 24 Q HN 0.929 nan 8.270 nan 0.000 0.426 25 D N -1.381 118.964 120.400 -0.091 0.000 2.269 25 D HA -0.115 4.705 4.640 0.300 0.000 0.208 25 D C 1.456 177.706 176.300 -0.084 0.000 0.963 25 D CA 1.371 55.325 54.000 -0.077 0.000 0.864 25 D CB -0.149 40.609 40.800 -0.069 0.000 0.936 25 D HN 0.369 nan 8.370 nan 0.000 0.505 26 V N -2.268 117.583 119.914 -0.105 0.000 3.660 26 V HA 0.184 4.485 4.120 0.300 0.000 0.276 26 V C 2.421 178.452 176.094 -0.106 0.000 1.317 26 V CA -0.193 62.044 62.300 -0.106 0.000 1.097 26 V CB -0.518 31.231 31.823 -0.124 0.000 0.863 26 V HN 0.006 nan 8.190 nan 0.000 0.438 27 L N 0.313 121.473 121.223 -0.106 0.000 2.079 27 L HA -0.036 4.484 4.340 0.300 0.000 0.210 27 L C -0.015 176.798 176.870 -0.095 0.000 1.081 27 L CA 1.750 56.530 54.840 -0.100 0.000 0.752 27 L CB -1.827 40.181 42.059 -0.085 0.000 0.896 27 L HN 0.379 nan 8.230 nan 0.000 0.433 28 P HA -0.112 nan 4.420 nan 0.000 0.225 28 P C 1.224 178.480 177.300 -0.074 0.000 1.148 28 P CA 1.232 64.291 63.100 -0.068 0.000 0.779 28 P CB 0.082 31.749 31.700 -0.055 0.000 0.780 29 A N -1.319 121.451 122.820 -0.084 0.000 2.072 29 A HA 0.053 4.553 4.320 0.300 0.000 0.216 29 A C 0.979 178.504 177.584 -0.099 0.000 1.156 29 A CA 0.448 52.434 52.037 -0.085 0.000 0.701 29 A CB -0.772 18.175 19.000 -0.089 0.000 0.816 29 A HN 0.120 nan 8.150 nan 0.000 0.458 30 L N -0.229 120.916 121.223 -0.129 0.000 2.350 30 L HA 0.241 4.761 4.340 0.300 0.000 0.275 30 L C -1.471 175.283 176.870 -0.193 0.000 1.099 30 L CA -1.935 52.791 54.840 -0.189 0.000 0.808 30 L CB 0.786 42.654 42.059 -0.318 0.000 1.149 30 L HN 0.032 nan 8.230 nan 0.000 0.442 31 P HA -0.180 nan 4.420 nan 0.000 0.212 31 P C -0.062 177.155 177.300 -0.138 0.000 1.178 31 P CA 1.379 64.407 63.100 -0.120 0.000 0.915 31 P CB 0.168 31.823 31.700 -0.074 0.000 0.788 32 N N -2.102 116.467 118.700 -0.217 0.000 2.707 32 N HA 0.192 5.112 4.740 0.300 0.000 0.249 32 N C -2.651 172.713 175.510 -0.243 0.000 1.299 32 N CA -1.384 51.577 53.050 -0.149 0.000 0.769 32 N CB 0.820 39.279 38.487 -0.046 0.000 1.236 32 N HN -0.134 nan 8.380 nan 0.000 0.524 33 P HA 0.088 nan 4.420 nan 0.000 0.228 33 P C -0.754 176.624 177.300 0.130 0.000 1.748 33 P CA -0.083 62.918 63.100 -0.165 0.000 0.909 33 P CB -0.449 31.173 31.700 -0.130 0.000 1.882 34 D N -1.380 119.137 120.400 0.195 0.000 2.414 34 D HA -0.008 4.812 4.640 0.300 0.000 0.259 34 D C 0.801 177.276 176.300 0.292 0.000 1.269 34 D CA -0.262 53.877 54.000 0.232 0.000 1.028 34 D CB 0.232 41.194 40.800 0.270 0.000 1.093 34 D HN -0.153 nan 8.370 nan 0.000 0.545 35 D N -1.252 119.262 120.400 0.190 0.000 2.149 35 D HA -0.160 4.660 4.640 0.300 0.000 0.198 35 D C 1.863 178.220 176.300 0.095 0.000 0.990 35 D CA 1.211 55.268 54.000 0.095 0.000 0.839 35 D CB -0.476 40.288 40.800 -0.060 0.000 0.948 35 D HN 0.442 nan 8.370 nan 0.000 0.460 36 Y N -0.333 120.059 120.300 0.154 0.000 2.181 36 Y HA -0.161 4.569 4.550 0.300 0.000 0.288 36 Y C 2.225 178.209 175.900 0.140 0.000 1.146 36 Y CA 0.762 58.935 58.100 0.122 0.000 1.164 36 Y CB -0.626 37.901 38.460 0.112 0.000 0.982 36 Y HN -0.045 nan 8.280 nan 0.000 0.515 37 F N 0.368 120.483 119.950 0.274 0.000 2.075 37 F HA -0.222 4.485 4.527 0.300 0.000 0.297 37 F C 1.956 177.963 175.800 0.344 0.000 1.113 37 F CA 1.531 59.683 58.000 0.254 0.000 1.218 37 F CB -0.601 38.550 39.000 0.253 0.000 0.984 37 F HN -0.084 nan 8.300 nan 0.000 0.472 38 L N -0.152 121.299 121.223 0.379 0.000 2.083 38 L HA -0.232 4.288 4.340 0.300 0.000 0.209 38 L C 2.420 179.411 176.870 0.201 0.000 1.083 38 L CA 1.064 56.145 54.840 0.402 0.000 0.752 38 L CB -0.770 41.554 42.059 0.442 0.000 0.899 38 L HN 0.254 nan 8.230 nan 0.000 0.433 39 L N -0.804 120.452 121.223 0.054 0.000 2.275 39 L HA -0.143 4.377 4.340 0.300 0.000 0.215 39 L C 2.770 179.485 176.870 -0.259 0.000 1.119 39 L CA 0.791 55.564 54.840 -0.112 0.000 0.790 39 L CB -0.424 41.618 42.059 -0.028 0.000 0.919 39 L HN 0.218 nan 8.230 nan 0.000 0.443 40 R N -0.633 119.685 120.500 -0.303 0.000 2.081 40 R HA -0.178 4.342 4.340 0.300 0.000 0.235 40 R C 2.092 177.979 176.300 -0.688 0.000 1.131 40 R CA 1.895 57.673 56.100 -0.535 0.000 0.960 40 R CB -0.348 29.511 30.300 -0.735 0.000 0.856 40 R HN 0.385 nan 8.270 nan 0.000 0.436 41 W N 0.770 121.821 121.300 -0.416 0.000 2.436 41 W HA -0.008 4.832 4.660 0.300 0.000 0.284 41 W C 1.935 178.143 176.519 -0.518 0.000 1.225 41 W CA 0.308 57.414 57.345 -0.399 0.000 1.271 41 W CB -0.401 28.906 29.460 -0.255 0.000 1.114 41 W HN -0.001 nan 8.180 nan 0.000 0.559 42 L N 0.066 120.973 121.223 -0.527 0.000 2.027 42 L HA -0.123 4.397 4.340 0.300 0.000 0.206 42 L C 2.657 178.977 176.870 -0.917 0.000 1.074 42 L CA 1.361 55.650 54.840 -0.918 0.000 0.745 42 L CB -0.750 40.549 42.059 -1.266 0.000 0.898 42 L HN -0.091 nan 8.230 nan 0.000 0.433 43 R N -0.062 119.990 120.500 -0.746 0.000 2.096 43 R HA -0.131 4.389 4.340 0.300 0.000 0.235 43 R C 2.325 178.445 176.300 -0.300 0.000 1.127 43 R CA 1.256 57.095 56.100 -0.435 0.000 0.968 43 R CB -0.473 29.681 30.300 -0.243 0.000 0.861 43 R HN 0.348 nan 8.270 nan 0.000 0.440 44 A N 0.813 123.433 122.820 -0.334 0.000 2.070 44 A HA -0.100 4.400 4.320 0.300 0.000 0.220 44 A C 1.417 178.882 177.584 -0.197 0.000 1.159 44 A CA 1.165 53.042 52.037 -0.266 0.000 0.656 44 A CB 0.065 18.868 19.000 -0.328 0.000 0.800 44 A HN 0.079 nan 8.150 nan 0.000 0.453 45 R N -0.886 119.483 120.500 -0.218 0.000 2.662 45 R HA 0.268 4.788 4.340 0.300 0.000 0.396 45 R C 0.060 176.286 176.300 -0.124 0.000 1.096 45 R CA 0.393 56.401 56.100 -0.153 0.000 1.081 45 R CB -0.566 29.649 30.300 -0.141 0.000 1.382 45 R HN 0.342 nan 8.270 nan 0.000 0.580 46 S N 0.985 116.624 115.700 -0.101 0.000 3.549 46 S HA -0.205 4.445 4.470 0.300 0.000 0.366 46 S C 0.019 174.711 174.600 0.153 0.000 1.012 46 S CA 0.828 59.054 58.200 0.044 0.000 1.141 46 S CB -1.591 61.630 63.200 0.034 0.000 0.910 46 S HN 0.587 nan 8.310 nan 0.000 0.471 47 F N -0.980 118.888 119.950 -0.138 0.000 3.084 47 F HA -0.207 4.500 4.527 0.300 0.000 0.286 47 F C 0.699 176.417 175.800 -0.137 0.000 0.855 47 F CA 1.056 58.961 58.000 -0.158 0.000 1.091 47 F CB -1.127 37.802 39.000 -0.118 0.000 1.177 47 F HN 0.522 nan 8.300 nan 0.000 0.542 48 D N 1.587 121.959 120.400 -0.047 0.000 2.352 48 D HA 0.188 5.008 4.640 0.300 0.000 0.245 48 D C 1.247 177.503 176.300 -0.074 0.000 1.224 48 D CA -0.130 53.851 54.000 -0.033 0.000 0.879 48 D CB 0.580 41.359 40.800 -0.034 0.000 1.057 48 D HN 0.303 nan 8.370 nan 0.000 0.491 49 L N 3.076 124.282 121.223 -0.029 0.000 2.013 49 L HA -0.249 4.271 4.340 0.300 0.000 0.212 49 L C 2.553 179.458 176.870 0.058 0.000 1.073 49 L CA 1.383 56.229 54.840 0.009 0.000 0.753 49 L CB -0.341 41.765 42.059 0.078 0.000 0.890 49 L HN 0.549 nan 8.230 nan 0.000 0.432 50 Q N 0.284 120.107 119.800 0.038 0.000 2.079 50 Q HA -0.211 4.309 4.340 0.300 0.000 0.200 50 Q C 2.222 178.240 176.000 0.030 0.000 0.974 50 Q CA 1.477 57.304 55.803 0.040 0.000 0.840 50 Q CB 0.138 28.889 28.738 0.022 0.000 0.898 50 Q HN 0.411 nan 8.270 nan 0.000 0.430 51 K N -0.294 120.107 120.400 0.001 0.000 2.097 51 K HA -0.045 4.455 4.320 0.300 0.000 0.205 51 K C 2.259 178.857 176.600 -0.003 0.000 1.050 51 K CA 1.353 57.634 56.287 -0.009 0.000 0.938 51 K CB 0.040 32.522 32.500 -0.030 0.000 0.718 51 K HN 0.080 nan 8.250 nan 0.000 0.442 52 S N 1.178 116.854 115.700 -0.041 0.000 2.382 52 S HA -0.181 4.469 4.470 0.300 0.000 0.228 52 S C 1.908 176.627 174.600 0.198 0.000 1.027 52 S CA 1.217 59.385 58.200 -0.054 0.000 0.991 52 S CB -0.106 62.807 63.200 -0.477 0.000 0.823 52 S HN 0.361 nan 8.310 nan 0.000 0.469 53 E N 1.254 121.631 120.200 0.295 0.000 2.072 53 E HA 0.002 4.532 4.350 0.300 0.000 0.191 53 E C 1.025 177.661 176.600 0.060 0.000 0.985 53 E CA 0.622 57.174 56.400 0.254 0.000 0.801 53 E CB -0.112 29.694 29.700 0.176 0.000 0.750 53 E HN 0.489 nan 8.360 nan 0.000 0.452 57 R N 0.431 120.820 120.500 -0.184 0.000 2.092 57 R HA -0.090 4.430 4.340 0.300 0.000 0.231 57 R C 1.903 178.152 176.300 -0.084 0.000 1.119 57 R CA 1.736 57.761 56.100 -0.126 0.000 0.970 57 R CB -0.145 30.103 30.300 -0.087 0.000 0.864 57 R HN 0.297 nan 8.270 nan 0.000 0.440 58 K N -0.154 120.213 120.400 -0.055 0.000 2.147 58 K HA -0.224 4.276 4.320 0.300 0.000 0.205 58 K C 1.983 178.598 176.600 0.025 0.000 1.049 58 K CA 1.608 57.890 56.287 -0.009 0.000 0.936 58 K CB -0.085 32.416 32.500 0.002 0.000 0.722 58 K HN 0.184 nan 8.250 nan 0.000 0.446 59 H N 0.030 119.022 119.070 -0.128 0.000 2.357 59 H HA -0.042 4.694 4.556 0.300 0.000 0.301 59 H C 1.670 176.993 175.328 -0.009 0.000 1.082 59 H CA 1.690 57.675 56.048 -0.106 0.000 1.342 59 H CB -0.139 29.442 29.762 -0.301 0.000 1.389 59 H HN -0.025 nan 8.280 nan 0.000 0.511 60 V N 0.635 120.422 119.914 -0.211 0.000 2.343 60 V HA -0.208 4.092 4.120 0.300 0.000 0.247 60 V C 2.479 178.485 176.094 -0.146 0.000 1.051 60 V CA 2.170 64.339 62.300 -0.218 0.000 1.036 60 V CB -0.496 31.237 31.823 -0.151 0.000 0.654 60 V HN 0.425 nan 8.190 nan 0.000 0.451 61 E N 0.242 120.394 120.200 -0.080 0.000 2.072 61 E HA -0.236 4.294 4.350 0.300 0.000 0.191 61 E C 1.925 178.504 176.600 -0.035 0.000 0.985 61 E CA 1.570 57.939 56.400 -0.052 0.000 0.801 61 E CB -0.535 29.150 29.700 -0.024 0.000 0.750 61 E HN 0.531 nan 8.360 nan 0.000 0.452 62 F N 1.279 121.143 119.950 -0.143 0.000 2.091 62 F HA -0.191 4.515 4.527 0.299 0.000 0.299 62 F C 2.137 177.846 175.800 -0.152 0.000 1.103 62 F CA 1.990 59.918 58.000 -0.121 0.000 1.228 62 F CB -0.172 38.779 39.000 -0.082 0.000 0.984 62 F HN -0.057 nan 8.300 nan 0.000 0.477 63 R N 0.349 120.799 120.500 -0.083 0.000 2.091 63 R HA -0.207 4.313 4.340 0.300 0.000 0.238 63 R C 2.397 178.572 176.300 -0.209 0.000 1.136 63 R CA 1.882 57.880 56.100 -0.170 0.000 0.959 63 R CB -0.525 29.660 30.300 -0.193 0.000 0.856 63 R HN 0.343 nan 8.270 nan 0.000 0.437 64 K N 0.639 120.935 120.400 -0.174 0.000 2.001 64 K HA -0.174 4.326 4.320 0.300 0.000 0.208 64 K C 2.136 178.630 176.600 -0.176 0.000 1.048 64 K CA 1.319 57.519 56.287 -0.146 0.000 0.932 64 K CB 0.112 32.546 32.500 -0.111 0.000 0.715 64 K HN 0.056 nan 8.250 nan 0.000 0.437 65 Q N 0.520 120.196 119.800 -0.207 0.000 2.135 65 Q HA -0.134 4.386 4.340 0.300 0.000 0.204 65 Q C 1.266 177.095 176.000 -0.286 0.000 0.981 65 Q CA 1.309 56.980 55.803 -0.219 0.000 0.856 65 Q CB 0.036 28.648 28.738 -0.209 0.000 0.902 65 Q HN 0.247 nan 8.270 nan 0.000 0.425 66 K N 0.845 120.987 120.400 -0.431 0.000 2.397 66 K HA 0.043 4.543 4.320 0.300 0.000 0.202 66 K C -0.284 176.135 176.600 -0.301 0.000 1.022 66 K CA -0.064 55.962 56.287 -0.435 0.000 1.141 66 K CB 0.121 32.198 32.500 -0.705 0.000 0.857 66 K HN 0.122 nan 8.250 nan 0.000 0.514 67 D N 1.350 121.617 120.400 -0.223 0.000 2.704 67 D HA -0.187 4.633 4.640 0.300 0.000 0.232 67 D C 0.784 177.018 176.300 -0.109 0.000 1.183 67 D CA 0.097 54.013 54.000 -0.141 0.000 0.647 67 D CB -0.570 40.160 40.800 -0.116 0.000 1.013 67 D HN 0.062 nan 8.370 nan 0.000 0.415 68 I N 0.530 121.037 120.570 -0.105 0.000 2.335 68 I HA -0.201 4.149 4.170 0.300 0.000 0.251 68 I C 1.935 178.069 176.117 0.028 0.000 1.129 68 I CA 1.234 62.528 61.300 -0.009 0.000 1.402 68 I CB -0.766 37.273 38.000 0.065 0.000 1.069 68 I HN 0.321 nan 8.210 nan 0.000 0.424 69 D N 0.977 121.378 120.400 0.003 0.000 2.265 69 D HA -0.185 4.635 4.640 0.300 0.000 0.208 69 D C 1.107 177.426 176.300 0.033 0.000 0.977 69 D CA 1.206 55.216 54.000 0.017 0.000 0.871 69 D CB -0.243 40.554 40.800 -0.006 0.000 0.925 69 D HN 0.499 nan 8.370 nan 0.000 0.485 70 N N -0.568 118.151 118.700 0.032 0.000 2.197 70 N HA 0.190 5.110 4.740 0.300 0.000 0.228 70 N C 1.328 176.894 175.510 0.094 0.000 1.212 70 N CA -0.165 52.920 53.050 0.058 0.000 0.883 70 N CB 1.007 39.524 38.487 0.050 0.000 1.107 70 N HN 0.011 nan 8.380 nan 0.000 0.519 71 I N 0.774 121.393 120.570 0.081 0.000 2.454 71 I HA -0.167 4.183 4.170 0.300 0.000 0.254 71 I C 1.471 177.708 176.117 0.200 0.000 1.156 71 I CA 1.115 62.485 61.300 0.116 0.000 1.433 71 I CB 0.156 38.185 38.000 0.049 0.000 1.082 71 I HN 0.192 nan 8.210 nan 0.000 0.432 72 I N 0.446 121.107 120.570 0.152 0.000 2.264 72 I HA -0.285 4.065 4.170 0.300 0.000 0.248 72 I C 2.337 178.548 176.117 0.156 0.000 1.111 72 I CA 1.716 63.105 61.300 0.148 0.000 1.382 72 I CB -0.314 37.753 38.000 0.112 0.000 1.060 72 I HN 0.386 nan 8.210 nan 0.000 0.418 73 S N -1.248 114.545 115.700 0.154 0.000 2.593 73 S HA -0.098 4.552 4.470 0.300 0.000 0.217 73 S C 0.273 174.965 174.600 0.153 0.000 0.966 73 S CA -0.578 57.697 58.200 0.126 0.000 0.914 73 S CB -0.510 62.749 63.200 0.098 0.000 0.776 73 S HN 0.447 nan 8.310 nan 0.000 0.523 74 W N 3.973 125.292 121.300 0.031 0.000 2.303 74 W HA 0.343 5.182 4.660 0.299 0.000 0.318 74 W C -0.463 176.074 176.519 0.029 0.000 1.362 74 W CA -0.341 57.020 57.345 0.027 0.000 1.234 74 W CB 0.425 29.901 29.460 0.026 0.000 1.248 74 W HN 0.092 nan 8.180 nan 0.000 0.546 75 Q N 7.768 127.146 119.800 -0.703 0.000 2.296 75 Q HA 0.295 4.815 4.340 0.300 0.000 0.257 75 Q C -2.012 173.247 176.000 -1.235 0.000 0.942 75 Q CA -2.031 53.360 55.803 -0.687 0.000 0.939 75 Q CB 0.887 29.392 28.738 -0.390 0.000 1.198 75 Q HN 0.316 nan 8.270 nan 0.000 0.429 76 P HA 0.201 nan 4.420 nan 0.000 0.274 76 P C -2.381 174.692 177.300 -0.379 0.000 1.237 76 P CA -1.277 61.371 63.100 -0.752 0.000 0.793 76 P CB -0.096 31.489 31.700 -0.191 0.000 0.977 77 P HA -0.055 nan 4.420 nan 0.000 0.267 77 P C 1.006 178.279 177.300 -0.044 0.000 1.200 77 P CA 0.228 63.290 63.100 -0.063 0.000 0.772 77 P CB 0.355 32.077 31.700 0.037 0.000 0.855 78 E N 1.901 122.098 120.200 -0.005 0.000 2.086 78 E HA -0.250 4.280 4.350 0.300 0.000 0.200 78 E C 1.603 178.183 176.600 -0.034 0.000 1.012 78 E CA 1.621 58.028 56.400 0.012 0.000 0.812 78 E CB -0.258 29.510 29.700 0.114 0.000 0.743 78 E HN 0.188 nan 8.360 nan 0.000 0.453 79 V N 0.804 120.696 119.914 -0.038 0.000 2.407 79 V HA -0.234 4.066 4.120 0.300 0.000 0.248 79 V C 2.169 178.246 176.094 -0.028 0.000 1.055 79 V CA 1.749 63.948 62.300 -0.168 0.000 1.049 79 V CB -0.261 31.466 31.823 -0.160 0.000 0.662 79 V HN 0.331 nan 8.190 nan 0.000 0.455 80 I N -0.546 120.019 120.570 -0.009 0.000 2.286 80 I HA -0.240 4.110 4.170 0.300 0.000 0.245 80 I C 2.645 178.746 176.117 -0.027 0.000 1.104 80 I CA 1.611 62.917 61.300 0.011 0.000 1.397 80 I CB -0.394 37.631 38.000 0.041 0.000 1.072 80 I HN 0.361 nan 8.210 nan 0.000 0.417 81 Q N 0.195 119.959 119.800 -0.061 0.000 2.170 81 Q HA -0.227 4.293 4.340 0.300 0.000 0.203 81 Q C 2.201 178.116 176.000 -0.143 0.000 0.976 81 Q CA 1.143 56.896 55.803 -0.083 0.000 0.858 81 Q CB -0.038 28.647 28.738 -0.088 0.000 0.907 81 Q HN 0.528 nan 8.270 nan 0.000 0.433 82 Q N -0.835 118.829 119.800 -0.227 0.000 2.123 82 Q HA -0.067 4.453 4.340 0.300 0.000 0.196 82 Q C 1.075 176.687 176.000 -0.647 0.000 0.958 82 Q CA 1.284 56.794 55.803 -0.487 0.000 0.841 82 Q CB 0.204 28.514 28.738 -0.713 0.000 0.915 82 Q HN 0.524 nan 8.270 nan 0.000 0.455 83 Y N -0.748 119.487 120.300 -0.108 0.000 2.445 83 Y HA 0.203 4.933 4.550 0.301 0.000 0.247 83 Y C 0.412 176.271 175.900 -0.068 0.000 1.129 83 Y CA -0.690 57.359 58.100 -0.086 0.000 1.251 83 Y CB 0.628 39.022 38.460 -0.110 0.000 1.176 83 Y HN -0.033 nan 8.280 nan 0.000 0.522 84 L N 2.418 123.663 121.223 0.036 0.000 2.342 84 L HA 0.272 4.792 4.340 0.300 0.000 0.285 84 L C 0.725 177.577 176.870 -0.031 0.000 1.095 84 L CA -0.598 54.248 54.840 0.011 0.000 0.843 84 L CB -0.287 41.781 42.059 0.015 0.000 1.201 84 L HN 0.162 nan 8.230 nan 0.000 0.445 85 S N 3.619 119.287 115.700 -0.054 0.000 2.587 85 S HA 0.773 5.423 4.470 0.300 0.000 0.260 85 S C 0.483 174.970 174.600 -0.189 0.000 1.353 85 S CA -0.052 58.066 58.200 -0.137 0.000 0.995 85 S CB 0.737 63.854 63.200 -0.139 0.000 0.912 85 S HN 1.715 nan 8.310 nan 0.000 0.568 86 G N -0.874 107.709 108.800 -0.363 0.000 2.603 86 G HA2 0.492 4.632 3.960 0.300 0.000 0.686 86 G HA3 0.492 4.632 3.960 0.300 0.000 0.686 86 G C -0.180 174.274 174.900 -0.743 0.000 1.286 86 G CA -0.375 44.397 45.100 -0.546 0.000 0.871 86 G HN 2.379 nan 8.290 nan 0.000 0.568 90 G N 4.495 113.141 108.800 -0.257 0.000 2.795 90 G HA2 0.049 4.189 3.960 0.300 0.000 0.664 90 G HA3 0.049 4.189 3.960 0.300 0.000 0.664 90 G C -1.526 173.051 174.900 -0.540 0.000 1.381 90 G CA -0.082 44.852 45.100 -0.276 0.000 0.853 90 G HN 1.431 nan 8.290 nan 0.000 0.545 91 Y N 0.557 120.922 120.300 0.109 0.000 2.477 91 Y HA 0.525 5.255 4.550 0.300 0.000 0.347 91 Y C 0.500 176.460 175.900 0.100 0.000 0.981 91 Y CA -0.354 57.806 58.100 0.100 0.000 1.033 91 Y CB 1.862 40.373 38.460 0.085 0.000 1.245 91 Y HN 0.941 nan 8.280 nan 0.000 0.455 92 D N 0.644 121.190 120.400 0.244 0.000 2.414 92 D HA 0.067 4.887 4.640 0.300 0.000 0.251 92 D C 0.927 177.333 176.300 0.176 0.000 1.252 92 D CA -0.318 53.799 54.000 0.195 0.000 0.999 92 D CB 0.673 41.588 40.800 0.193 0.000 1.093 92 D HN 0.580 nan 8.370 nan 0.000 0.515 93 L N -0.683 120.629 121.223 0.150 0.000 2.189 93 L HA -0.150 4.370 4.340 0.300 0.000 0.214 93 L C 1.229 178.158 176.870 0.098 0.000 1.097 93 L CA 1.410 56.317 54.840 0.112 0.000 0.764 93 L CB -0.419 41.694 42.059 0.090 0.000 0.900 93 L HN 0.412 nan 8.230 nan 0.000 0.436 94 D N -0.546 119.919 120.400 0.110 0.000 2.340 94 D HA 0.066 4.886 4.640 0.300 0.000 0.220 94 D C 1.628 177.975 176.300 0.077 0.000 1.039 94 D CA 1.026 55.077 54.000 0.086 0.000 0.866 94 D CB 0.729 41.582 40.800 0.088 0.000 0.913 94 D HN 0.405 nan 8.370 nan 0.000 0.523 95 G N 0.531 109.393 108.800 0.103 0.000 2.175 95 G HA2 -0.278 3.862 3.960 0.300 0.000 0.244 95 G HA3 -0.278 3.862 3.960 0.300 0.000 0.244 95 G C 0.492 175.476 174.900 0.140 0.000 0.982 95 G CA -0.012 45.134 45.100 0.077 0.000 0.641 95 G HN 0.369 nan 8.290 nan 0.000 0.527 96 C N 2.185 121.591 119.300 0.177 0.000 2.593 96 C HA 0.513 5.153 4.460 0.300 0.000 0.409 96 C C -1.234 173.936 174.990 0.300 0.000 1.304 96 C CA -1.178 57.957 59.018 0.195 0.000 2.007 96 C CB 0.778 28.597 27.740 0.132 0.000 2.614 96 C HN 0.367 nan 8.230 nan 0.000 0.585 97 P HA 0.171 nan 4.420 nan 0.000 0.266 97 P C -0.712 176.667 177.300 0.131 0.000 1.195 97 P CA 0.174 63.427 63.100 0.256 0.000 0.768 97 P CB 0.365 32.209 31.700 0.240 0.000 0.838 98 V N 4.107 124.045 119.914 0.041 0.000 2.483 98 V HA 0.405 4.705 4.120 0.300 0.000 0.295 98 V C -0.561 175.590 176.094 0.096 0.000 1.035 98 V CA -0.499 61.824 62.300 0.038 0.000 0.896 98 V CB 1.588 33.407 31.823 -0.006 0.000 0.986 98 V HN 0.627 nan 8.190 nan 0.000 0.447 99 W N 5.597 126.820 121.300 -0.129 0.000 2.656 99 W HA 0.580 5.420 4.660 0.299 0.000 0.327 99 W C -2.136 174.253 176.519 -0.217 0.000 1.041 99 W CA -0.815 56.478 57.345 -0.087 0.000 1.229 99 W CB 1.780 31.199 29.460 -0.068 0.000 1.397 99 W HN 0.487 nan 8.180 nan 0.000 0.479 100 Y N 4.300 124.031 120.300 -0.947 0.000 2.341 100 Y HA 0.245 4.974 4.550 0.300 0.000 0.337 100 Y C 0.314 175.675 175.900 -0.898 0.000 1.014 100 Y CA -0.152 57.482 58.100 -0.778 0.000 1.111 100 Y CB 1.178 39.203 38.460 -0.725 0.000 1.194 100 Y HN 0.181 nan 8.280 nan 0.000 0.462 101 D N 4.194 124.355 120.400 -0.399 0.000 2.308 101 D HA 0.372 5.192 4.640 0.300 0.000 0.242 101 D C -0.741 175.307 176.300 -0.420 0.000 1.059 101 D CA -0.191 53.578 54.000 -0.384 0.000 0.830 101 D CB 2.008 42.481 40.800 -0.545 0.000 1.161 101 D HN 0.293 nan 8.370 nan 0.000 0.494 102 I N 4.344 124.705 120.570 -0.348 0.000 2.428 102 I HA 0.134 4.484 4.170 0.300 0.000 0.279 102 I C 1.328 177.317 176.117 -0.213 0.000 1.040 102 I CA -0.466 60.689 61.300 -0.242 0.000 1.171 102 I CB 1.061 38.915 38.000 -0.243 0.000 1.312 102 I HN 0.270 nan 8.210 nan 0.000 0.470 103 I N 3.646 124.068 120.570 -0.248 0.000 2.333 103 I HA -0.028 4.322 4.170 0.300 0.000 0.246 103 I C 2.511 178.527 176.117 -0.169 0.000 1.106 103 I CA 1.181 62.331 61.300 -0.250 0.000 1.411 103 I CB -1.218 36.599 38.000 -0.304 0.000 1.082 103 I HN 0.560 nan 8.210 nan 0.000 0.420 104 G N 3.585 112.324 108.800 -0.102 0.000 2.631 104 G HA2 -0.230 3.910 3.960 0.300 0.000 0.219 104 G HA3 -0.230 3.910 3.960 0.300 0.000 0.219 104 G C -0.504 174.508 174.900 0.186 0.000 1.214 104 G CA 1.111 46.242 45.100 0.051 0.000 0.785 104 G HN 0.359 nan 8.290 nan 0.000 0.596 105 P HA 0.135 nan 4.420 nan 0.000 0.242 105 P C 0.412 177.770 177.300 0.095 0.000 1.197 105 P CA -0.187 62.978 63.100 0.108 0.000 0.765 105 P CB 0.002 31.770 31.700 0.113 0.000 0.936 106 L N 1.733 123.024 121.223 0.113 0.000 2.455 106 L HA 0.177 4.697 4.340 0.300 0.000 0.272 106 L C 0.128 177.025 176.870 0.045 0.000 1.174 106 L CA 0.515 55.398 54.840 0.072 0.000 0.869 106 L CB -0.291 41.798 42.059 0.049 0.000 1.130 106 L HN -0.230 nan 8.230 nan 0.000 0.474 107 D N 3.923 124.314 120.400 -0.015 0.000 2.485 107 D HA 0.372 5.192 4.640 0.300 0.000 0.256 107 D C 0.870 177.100 176.300 -0.117 0.000 1.141 107 D CA 0.273 54.218 54.000 -0.091 0.000 0.942 107 D CB 1.109 41.846 40.800 -0.104 0.000 1.003 107 D HN 0.657 nan 8.370 nan 0.000 0.507 108 A N 3.962 126.727 122.820 -0.092 0.000 1.908 108 A HA -0.206 4.294 4.320 0.300 0.000 0.218 108 A C 2.060 179.555 177.584 -0.148 0.000 1.181 108 A CA 1.281 53.297 52.037 -0.034 0.000 0.627 108 A CB -0.213 18.859 19.000 0.120 0.000 0.818 108 A HN 0.500 nan 8.150 nan 0.000 0.445 109 K N -1.053 119.065 120.400 -0.470 0.000 2.026 109 K HA -0.108 4.392 4.320 0.300 0.000 0.208 109 K C 2.187 178.192 176.600 -0.992 0.000 1.048 109 K CA 1.124 56.734 56.287 -1.129 0.000 0.929 109 K CB -0.526 31.207 32.500 -1.278 0.000 0.713 109 K HN 0.476 nan 8.250 nan 0.000 0.439 110 G N 1.371 109.873 108.800 -0.496 0.000 2.442 110 G HA2 -0.245 3.895 3.960 0.300 0.000 0.219 110 G HA3 -0.245 3.895 3.960 0.300 0.000 0.219 110 G C 1.485 176.229 174.900 -0.259 0.000 1.141 110 G CA 0.740 45.667 45.100 -0.288 0.000 0.763 110 G HN 0.108 nan 8.290 nan 0.000 0.554 111 L N -0.344 120.758 121.223 -0.202 0.000 2.027 111 L HA 0.088 4.608 4.340 0.300 0.000 0.206 111 L C 2.812 179.630 176.870 -0.088 0.000 1.074 111 L CA 0.512 55.293 54.840 -0.099 0.000 0.745 111 L CB -0.301 41.727 42.059 -0.051 0.000 0.898 111 L HN 0.153 nan 8.230 nan 0.000 0.433 112 L N -1.431 119.705 121.223 -0.146 0.000 2.291 112 L HA -0.136 4.384 4.340 0.300 0.000 0.214 112 L C 1.941 178.844 176.870 0.055 0.000 1.120 112 L CA 0.583 55.395 54.840 -0.047 0.000 0.799 112 L CB -0.181 41.887 42.059 0.014 0.000 0.925 112 L HN 0.207 nan 8.230 nan 0.000 0.446 113 F N -1.427 118.404 119.950 -0.198 0.000 2.754 113 F HA 0.072 4.777 4.527 0.297 0.000 0.297 113 F C 2.140 177.790 175.800 -0.250 0.000 1.122 113 F CA 0.058 57.852 58.000 -0.343 0.000 1.400 113 F CB -0.398 38.083 39.000 -0.865 0.000 1.117 113 F HN -0.082 nan 8.300 nan 0.000 0.587 114 S N -0.950 114.764 115.700 0.023 0.000 2.559 114 S HA 0.641 5.291 4.470 0.300 0.000 0.226 114 S C 0.579 175.253 174.600 0.124 0.000 1.000 114 S CA 0.239 58.516 58.200 0.128 0.000 0.948 114 S CB 0.434 63.742 63.200 0.180 0.000 0.870 114 S HN 0.146 nan 8.310 nan 0.000 0.497 115 A N 1.504 124.381 122.820 0.095 0.000 2.612 115 A HA 0.699 5.199 4.320 0.300 0.000 0.293 115 A C -0.287 177.353 177.584 0.094 0.000 1.075 115 A CA -0.750 51.348 52.037 0.101 0.000 0.680 115 A CB 0.665 19.723 19.000 0.096 0.000 1.279 115 A HN 0.282 nan 8.150 nan 0.000 0.411 116 S N 0.391 116.150 115.700 0.098 0.000 2.576 116 S HA 0.235 4.885 4.470 0.300 0.000 0.276 116 S C 0.874 175.517 174.600 0.072 0.000 1.339 116 S CA 0.338 58.588 58.200 0.083 0.000 1.039 116 S CB 1.035 64.284 63.200 0.080 0.000 0.902 116 S HN 0.899 nan 8.310 nan 0.000 0.516 117 K N 0.880 121.313 120.400 0.054 0.000 2.280 117 K HA -0.188 4.312 4.320 0.300 0.000 0.202 117 K C 2.243 178.867 176.600 0.040 0.000 1.047 117 K CA 1.371 57.682 56.287 0.040 0.000 0.942 117 K CB -0.187 32.325 32.500 0.020 0.000 0.739 117 K HN 0.833 nan 8.250 nan 0.000 0.457 118 Q N 0.406 120.228 119.800 0.037 0.000 2.046 118 Q HA -0.182 4.338 4.340 0.300 0.000 0.200 118 Q C 1.024 177.035 176.000 0.018 0.000 0.975 118 Q CA 1.871 57.684 55.803 0.015 0.000 0.836 118 Q CB 0.078 28.818 28.738 0.004 0.000 0.896 118 Q HN 0.316 nan 8.270 nan 0.000 0.428 119 D N 0.454 120.904 120.400 0.084 0.000 2.178 119 D HA -0.096 4.724 4.640 0.300 0.000 0.202 119 D C 1.989 178.399 176.300 0.183 0.000 0.974 119 D CA 0.687 54.799 54.000 0.187 0.000 0.841 119 D CB -0.048 40.933 40.800 0.302 0.000 0.953 119 D HN 0.290 nan 8.370 nan 0.000 0.478 120 L N 0.138 121.431 121.223 0.116 0.000 2.027 120 L HA -0.128 4.392 4.340 0.300 0.000 0.206 120 L C 2.492 179.402 176.870 0.066 0.000 1.074 120 L CA 0.755 55.648 54.840 0.088 0.000 0.745 120 L CB -0.322 41.770 42.059 0.055 0.000 0.898 120 L HN 0.037 nan 8.230 nan 0.000 0.433 121 L N -0.693 120.567 121.223 0.062 0.000 2.083 121 L HA -0.219 4.301 4.340 0.300 0.000 0.209 121 L C 2.767 179.678 176.870 0.068 0.000 1.083 121 L CA 1.147 56.039 54.840 0.087 0.000 0.752 121 L CB -0.516 41.600 42.059 0.094 0.000 0.899 121 L HN 0.256 nan 8.230 nan 0.000 0.433 122 R N -0.306 120.180 120.500 -0.023 0.000 2.115 122 R HA -0.126 4.394 4.340 0.300 0.000 0.230 122 R C 2.181 178.460 176.300 -0.035 0.000 1.111 122 R CA 1.687 57.685 56.100 -0.169 0.000 0.976 122 R CB -0.119 29.838 30.300 -0.572 0.000 0.870 122 R HN 0.252 nan 8.270 nan 0.000 0.445 123 T N 1.143 115.782 114.554 0.141 0.000 2.821 123 T HA -0.051 4.479 4.350 0.300 0.000 0.267 123 T C 0.704 175.462 174.700 0.097 0.000 1.046 123 T CA 0.896 63.149 62.100 0.254 0.000 1.139 123 T CB 0.038 69.050 68.868 0.239 0.000 0.871 123 T HN 0.111 nan 8.240 nan 0.000 0.454 127 E N 0.598 120.777 120.200 -0.035 0.000 2.077 127 E HA -0.184 4.346 4.350 0.300 0.000 0.193 127 E C 1.551 177.982 176.600 -0.282 0.000 0.989 127 E CA 1.763 58.044 56.400 -0.197 0.000 0.800 127 E CB -0.070 29.369 29.700 -0.436 0.000 0.746 127 E HN 0.388 nan 8.360 nan 0.000 0.452 128 C N 1.321 120.456 119.300 -0.276 0.000 2.413 128 C HA -0.095 4.545 4.460 0.300 0.000 0.276 128 C C 2.496 177.318 174.990 -0.280 0.000 1.248 128 C CA 0.474 59.227 59.018 -0.441 0.000 1.742 128 C CB -0.659 26.580 27.740 -0.835 0.000 2.017 128 C HN 0.413 nan 8.230 nan 0.000 0.481 129 E N 0.688 120.855 120.200 -0.056 0.000 2.072 129 E HA -0.078 4.452 4.350 0.300 0.000 0.191 129 E C 2.156 178.780 176.600 0.041 0.000 0.985 129 E CA 0.891 57.344 56.400 0.089 0.000 0.801 129 E CB -0.469 29.326 29.700 0.157 0.000 0.750 129 E HN 0.645 nan 8.360 nan 0.000 0.452 130 L N 0.392 121.627 121.223 0.019 0.000 2.083 130 L HA -0.179 4.341 4.340 0.300 0.000 0.209 130 L C 2.577 179.458 176.870 0.020 0.000 1.083 130 L CA 0.803 55.664 54.840 0.034 0.000 0.752 130 L CB -0.398 41.701 42.059 0.066 0.000 0.899 130 L HN 0.113 nan 8.230 nan 0.000 0.433 131 L N -1.023 120.187 121.223 -0.022 0.000 2.056 131 L HA -0.229 4.291 4.340 0.300 0.000 0.207 131 L C 2.454 179.336 176.870 0.019 0.000 1.078 131 L CA 0.863 55.705 54.840 0.003 0.000 0.749 131 L CB -0.298 41.716 42.059 -0.075 0.000 0.901 131 L HN 0.204 nan 8.230 nan 0.000 0.433 132 L N -0.474 120.758 121.223 0.015 0.000 2.093 132 L HA -0.229 4.291 4.340 0.300 0.000 0.208 132 L C 2.632 179.506 176.870 0.008 0.000 1.085 132 L CA 1.601 56.475 54.840 0.056 0.000 0.755 132 L CB -0.667 41.477 42.059 0.142 0.000 0.904 132 L HN 0.326 nan 8.230 nan 0.000 0.435 133 Q N -0.600 119.176 119.800 -0.041 0.000 2.119 133 Q HA -0.257 4.263 4.340 0.300 0.000 0.201 133 Q C 2.069 177.871 176.000 -0.331 0.000 0.972 133 Q CA 1.468 57.154 55.803 -0.197 0.000 0.847 133 Q CB 0.031 28.653 28.738 -0.193 0.000 0.903 133 Q HN 0.364 nan 8.270 nan 0.000 0.433 134 E N 0.122 120.253 120.200 -0.114 0.000 2.077 134 E HA -0.149 4.381 4.350 0.300 0.000 0.193 134 E C 1.843 178.483 176.600 0.068 0.000 0.989 134 E CA 1.553 57.969 56.400 0.028 0.000 0.800 134 E CB -0.524 29.274 29.700 0.163 0.000 0.746 134 E HN 0.488 nan 8.360 nan 0.000 0.452 135 C N -0.023 119.305 119.300 0.048 0.000 2.425 135 C HA -0.016 4.624 4.460 0.300 0.000 0.277 135 C C 2.727 177.731 174.990 0.024 0.000 1.280 135 C CA 0.842 59.891 59.018 0.052 0.000 1.744 135 C CB -1.236 26.532 27.740 0.046 0.000 1.989 135 C HN 0.582 nan 8.230 nan 0.000 0.491 136 A N 0.058 122.871 122.820 -0.011 0.000 1.902 136 A HA -0.200 4.300 4.320 0.300 0.000 0.217 136 A C 1.890 179.537 177.584 0.105 0.000 1.181 136 A CA 1.790 53.833 52.037 0.009 0.000 0.623 136 A CB -0.783 18.199 19.000 -0.029 0.000 0.818 136 A HN 0.685 nan 8.150 nan 0.000 0.443 137 H N -0.304 118.787 119.070 0.035 0.000 2.357 137 H HA -0.059 4.677 4.556 0.300 0.000 0.301 137 H C 2.238 177.557 175.328 -0.016 0.000 1.082 137 H CA 1.544 57.605 56.048 0.021 0.000 1.342 137 H CB -0.312 29.478 29.762 0.046 0.000 1.389 137 H HN 0.454 nan 8.280 nan 0.000 0.511 138 Q N -0.014 119.846 119.800 0.099 0.000 2.124 138 Q HA -0.085 4.435 4.340 0.300 0.000 0.202 138 Q C 2.182 178.170 176.000 -0.020 0.000 0.977 138 Q CA 1.364 57.152 55.803 -0.024 0.000 0.850 138 Q CB -0.475 28.234 28.738 -0.048 0.000 0.901 138 Q HN 0.458 nan 8.270 nan 0.000 0.429 139 T N 0.594 115.149 114.554 0.003 0.000 2.746 139 T HA -0.111 4.419 4.350 0.300 0.000 0.267 139 T C 1.871 176.566 174.700 -0.007 0.000 1.039 139 T CA 1.835 63.924 62.100 -0.019 0.000 1.142 139 T CB -0.247 68.602 68.868 -0.032 0.000 0.866 139 T HN 0.325 nan 8.240 nan 0.000 0.444 140 T N 1.316 115.882 114.554 0.020 0.000 2.777 140 T HA -0.014 4.516 4.350 0.300 0.000 0.266 140 T C 1.976 176.674 174.700 -0.004 0.000 1.040 140 T CA 0.963 63.072 62.100 0.015 0.000 1.141 140 T CB -0.092 68.797 68.868 0.034 0.000 0.868 140 T HN 0.336 nan 8.240 nan 0.000 0.444 141 K N 0.617 121.009 120.400 -0.013 0.000 2.097 141 K HA 0.082 4.582 4.320 0.300 0.000 0.205 141 K C 1.855 178.432 176.600 -0.038 0.000 1.050 141 K CA 0.903 57.169 56.287 -0.034 0.000 0.938 141 K CB -0.086 32.379 32.500 -0.059 0.000 0.718 141 K HN 0.308 nan 8.250 nan 0.000 0.442 142 L N -0.739 120.459 121.223 -0.041 0.000 2.529 142 L HA 0.172 4.693 4.340 0.300 0.000 0.223 142 L C 1.076 177.935 176.870 -0.017 0.000 1.113 142 L CA 0.429 55.249 54.840 -0.035 0.000 0.861 142 L CB 0.302 42.335 42.059 -0.043 0.000 1.012 142 L HN 0.464 nan 8.230 nan 0.000 0.461 143 G N 1.774 110.566 108.800 -0.013 0.000 2.153 143 G HA2 -0.285 3.855 3.960 0.300 0.000 0.252 143 G HA3 -0.285 3.855 3.960 0.300 0.000 0.252 143 G C 0.216 175.115 174.900 -0.002 0.000 0.994 143 G CA 0.531 45.628 45.100 -0.004 0.000 0.698 143 G HN 0.552 nan 8.290 nan 0.000 0.521 144 R N -1.937 118.554 120.500 -0.015 0.000 2.680 144 R HA 0.697 5.217 4.340 0.300 0.000 0.269 144 R C -0.623 175.637 176.300 -0.066 0.000 1.026 144 R CA -1.278 54.810 56.100 -0.020 0.000 0.889 144 R CB 0.916 31.216 30.300 0.000 0.000 1.241 144 R HN 0.037 nan 8.270 nan 0.000 0.463 145 K N 1.454 121.773 120.400 -0.134 0.000 2.436 145 K HA 0.170 4.670 4.320 0.300 0.000 0.282 145 K C -1.078 175.422 176.600 -0.167 0.000 1.044 145 K CA 0.061 56.181 56.287 -0.278 0.000 1.028 145 K CB 0.692 32.732 32.500 -0.766 0.000 0.919 145 K HN 0.485 nan 8.250 nan 0.000 0.474 146 V N 5.602 125.446 119.914 -0.117 0.000 2.487 146 V HA 0.331 4.631 4.120 0.300 0.000 0.298 146 V C 0.076 176.149 176.094 -0.035 0.000 1.028 146 V CA -0.425 61.849 62.300 -0.044 0.000 0.860 146 V CB 1.428 33.246 31.823 -0.007 0.000 0.991 146 V HN 0.953 nan 8.190 nan 0.000 0.427 147 E N 1.894 122.089 120.200 -0.008 0.000 2.858 147 E HA 0.213 4.743 4.350 0.300 0.000 0.195 147 E C -0.009 176.605 176.600 0.024 0.000 0.952 147 E CA -0.265 56.143 56.400 0.012 0.000 1.294 147 E CB 0.983 30.688 29.700 0.009 0.000 1.048 147 E HN 0.667 nan 8.360 nan 0.000 0.485 148 T N -0.594 113.980 114.554 0.033 0.000 2.887 148 T HA 0.771 5.301 4.350 0.300 0.000 0.292 148 T C -0.099 174.634 174.700 0.056 0.000 1.087 148 T CA -0.931 61.189 62.100 0.034 0.000 1.009 148 T CB 1.901 70.782 68.868 0.021 0.000 1.203 148 T HN 0.353 nan 8.240 nan 0.000 0.518 149 I N -1.873 118.728 120.570 0.052 0.000 2.828 149 I HA 0.757 5.107 4.170 0.300 0.000 0.302 149 I C -1.170 174.968 176.117 0.036 0.000 1.101 149 I CA -0.930 60.409 61.300 0.065 0.000 1.031 149 I CB 2.566 40.609 38.000 0.070 0.000 1.231 149 I HN 0.562 nan 8.210 nan 0.000 0.427 150 T N 5.785 120.367 114.554 0.047 0.000 2.794 150 T HA 0.645 5.175 4.350 0.300 0.000 0.280 150 T C -0.262 174.441 174.700 0.004 0.000 0.987 150 T CA -0.294 61.808 62.100 0.003 0.000 0.993 150 T CB 1.207 70.111 68.868 0.059 0.000 0.939 150 T HN 0.381 nan 8.240 nan 0.000 0.449 151 I N 3.483 124.029 120.570 -0.040 0.000 2.474 151 I HA 0.483 4.833 4.170 0.300 0.000 0.294 151 I C -0.535 175.560 176.117 -0.037 0.000 1.005 151 I CA -0.909 60.390 61.300 -0.002 0.000 1.113 151 I CB 1.973 40.026 38.000 0.088 0.000 1.289 151 I HN 0.451 nan 8.210 nan 0.000 0.436 152 I N 6.103 126.547 120.570 -0.211 0.000 2.354 152 I HA 0.192 4.542 4.170 0.300 0.000 0.286 152 I C -1.107 174.916 176.117 -0.156 0.000 1.007 152 I CA -0.577 60.584 61.300 -0.232 0.000 1.167 152 I CB 0.978 38.563 38.000 -0.691 0.000 1.320 152 I HN 0.471 nan 8.210 nan 0.000 0.458 153 Y N 5.845 126.077 120.300 -0.113 0.000 2.595 153 Y HA 0.218 4.947 4.550 0.299 0.000 0.336 153 Y C 0.137 175.985 175.900 -0.086 0.000 0.996 153 Y CA -0.653 57.408 58.100 -0.065 0.000 1.260 153 Y CB 0.435 38.894 38.460 -0.002 0.000 1.108 153 Y HN 0.448 nan 8.280 nan 0.000 0.509 154 D N 4.258 124.595 120.400 -0.104 0.000 2.374 154 D HA 0.074 4.894 4.640 0.300 0.000 0.240 154 D C -0.075 176.195 176.300 -0.050 0.000 1.229 154 D CA 0.127 54.093 54.000 -0.057 0.000 0.895 154 D CB 0.533 41.362 40.800 0.050 0.000 1.046 154 D HN 0.638 nan 8.370 nan 0.000 0.498 155 C N 3.742 123.041 119.300 -0.001 0.000 2.625 155 C HA 0.124 4.764 4.460 0.300 0.000 0.285 155 C C 1.018 176.000 174.990 -0.013 0.000 1.279 155 C CA -0.508 58.531 59.018 0.034 0.000 1.698 155 C CB -1.610 26.211 27.740 0.134 0.000 1.821 155 C HN 0.591 nan 8.230 nan 0.000 0.600 156 E N 0.534 120.710 120.200 -0.040 0.000 2.417 156 E HA 0.346 4.876 4.350 0.300 0.000 0.261 156 E C 1.255 177.862 176.600 0.011 0.000 1.000 156 E CA 0.953 57.341 56.400 -0.020 0.000 0.919 156 E CB 0.124 29.808 29.700 -0.027 0.000 0.955 156 E HN 0.522 nan 8.360 nan 0.000 0.455 157 G N 3.562 112.384 108.800 0.037 0.000 2.175 157 G HA2 -0.289 3.851 3.960 0.300 0.000 0.244 157 G HA3 -0.289 3.851 3.960 0.300 0.000 0.244 157 G C 0.045 175.014 174.900 0.115 0.000 0.982 157 G CA 0.069 45.216 45.100 0.078 0.000 0.641 157 G HN 0.602 nan 8.290 nan 0.000 0.527 158 L N 1.809 123.049 121.223 0.029 0.000 2.584 158 L HA 0.581 5.101 4.340 0.300 0.000 0.272 158 L C 0.816 177.803 176.870 0.195 0.000 1.195 158 L CA 1.273 56.100 54.840 -0.022 0.000 0.920 158 L CB 0.383 42.449 42.059 0.012 0.000 1.173 158 L HN 0.707 nan 8.230 nan 0.000 0.489 159 G N 4.090 113.173 108.800 0.471 0.000 2.866 159 G HA2 0.358 4.498 3.960 0.300 0.000 0.289 159 G HA3 0.358 4.498 3.960 0.300 0.000 0.289 159 G C 0.361 175.377 174.900 0.193 0.000 1.396 159 G CA -0.642 44.613 45.100 0.258 0.000 0.848 159 G HN 0.642 nan 8.290 nan 0.000 0.515 160 L N -0.063 121.207 121.223 0.079 0.000 2.127 160 L HA -0.122 4.398 4.340 0.300 0.000 0.211 160 L C 2.974 179.835 176.870 -0.015 0.000 1.089 160 L CA 1.957 56.814 54.840 0.029 0.000 0.757 160 L CB -0.254 41.803 42.059 -0.003 0.000 0.899 160 L HN 0.770 nan 8.230 nan 0.000 0.434 161 K N -1.017 119.330 120.400 -0.089 0.000 2.209 161 K HA -0.176 4.324 4.320 0.300 0.000 0.204 161 K C 1.689 178.186 176.600 -0.172 0.000 1.048 161 K CA 1.310 57.485 56.287 -0.187 0.000 0.940 161 K CB -0.374 31.944 32.500 -0.303 0.000 0.729 161 K HN 0.402 nan 8.250 nan 0.000 0.451 162 H N 0.641 119.731 119.070 0.034 0.000 2.555 162 H HA 0.086 4.822 4.556 0.300 0.000 0.269 162 H C 1.529 176.900 175.328 0.072 0.000 0.988 162 H CA 0.715 56.794 56.048 0.050 0.000 1.178 162 H CB 0.171 29.953 29.762 0.034 0.000 1.373 162 H HN 0.237 nan 8.280 nan 0.000 0.588 163 L N -0.449 120.861 121.223 0.146 0.000 2.591 163 L HA 0.030 4.550 4.340 0.300 0.000 0.228 163 L C 0.630 177.561 176.870 0.102 0.000 1.133 163 L CA -0.466 54.434 54.840 0.099 0.000 0.880 163 L CB -0.188 41.901 42.059 0.051 0.000 1.033 163 L HN 0.170 nan 8.230 nan 0.000 0.450 164 W N 3.056 124.311 121.300 -0.074 0.000 2.611 164 W HA -0.099 4.736 4.660 0.293 0.000 0.346 164 W C 1.616 178.099 176.519 -0.060 0.000 1.365 164 W CA -0.057 57.230 57.345 -0.097 0.000 1.313 164 W CB 0.311 29.695 29.460 -0.126 0.000 1.351 164 W HN 0.025 nan 8.180 nan 0.000 0.576 165 K N 5.573 125.786 120.400 -0.311 0.000 2.049 165 K HA -0.251 4.249 4.320 0.300 0.000 0.219 165 K C -0.673 175.602 176.600 -0.542 0.000 1.056 165 K CA 2.642 58.716 56.287 -0.354 0.000 0.946 165 K CB -0.995 31.347 32.500 -0.263 0.000 0.723 165 K HN 0.299 nan 8.250 nan 0.000 0.453 166 P HA -0.146 nan 4.420 nan 0.000 0.218 166 P C 0.719 177.609 177.300 -0.684 0.000 1.148 166 P CA 1.822 64.372 63.100 -0.917 0.000 0.822 166 P CB 0.003 30.894 31.700 -1.348 0.000 0.784 167 A N -0.756 121.648 122.820 -0.693 0.000 1.897 167 A HA -0.121 4.379 4.320 0.300 0.000 0.215 167 A C 2.287 179.831 177.584 -0.067 0.000 1.181 167 A CA 1.543 53.463 52.037 -0.194 0.000 0.620 167 A CB -1.609 17.453 19.000 0.104 0.000 0.821 167 A HN 0.003 nan 8.150 nan 0.000 0.443 168 V N 0.630 120.509 119.914 -0.059 0.000 2.295 168 V HA -0.288 4.012 4.120 0.300 0.000 0.246 168 V C 2.412 178.524 176.094 0.031 0.000 1.049 168 V CA 2.307 64.646 62.300 0.065 0.000 1.024 168 V CB -0.960 30.901 31.823 0.063 0.000 0.648 168 V HN 0.638 nan 8.190 nan 0.000 0.447 169 E N 0.557 120.713 120.200 -0.073 0.000 2.077 169 E HA -0.192 4.338 4.350 0.300 0.000 0.193 169 E C 2.339 178.855 176.600 -0.140 0.000 0.989 169 E CA 1.321 57.656 56.400 -0.108 0.000 0.800 169 E CB -0.349 29.277 29.700 -0.124 0.000 0.746 169 E HN 0.607 nan 8.360 nan 0.000 0.452 170 A N 1.054 123.818 122.820 -0.093 0.000 1.933 170 A HA -0.205 4.295 4.320 0.300 0.000 0.218 170 A C 2.043 179.656 177.584 0.049 0.000 1.175 170 A CA 1.216 53.230 52.037 -0.037 0.000 0.628 170 A CB -0.658 18.325 19.000 -0.029 0.000 0.814 170 A HN 0.320 nan 8.150 nan 0.000 0.444 171 Y N 0.946 121.197 120.300 -0.081 0.000 2.200 171 Y HA -0.023 4.706 4.550 0.298 0.000 0.290 171 Y C 2.481 178.297 175.900 -0.140 0.000 1.137 171 Y CA 0.958 59.053 58.100 -0.008 0.000 1.163 171 Y CB -0.959 37.520 38.460 0.033 0.000 0.988 171 Y HN 0.228 nan 8.280 nan 0.000 0.518 172 G N -0.261 108.258 108.800 -0.468 0.000 2.442 172 G HA2 -0.261 3.879 3.960 0.300 0.000 0.219 172 G HA3 -0.261 3.879 3.960 0.300 0.000 0.219 172 G C 1.568 175.934 174.900 -0.889 0.000 1.141 172 G CA 0.982 45.238 45.100 -1.406 0.000 0.763 172 G HN 0.499 nan 8.290 nan 0.000 0.554 173 E N -0.494 119.444 120.200 -0.437 0.000 2.077 173 E HA -0.109 4.421 4.350 0.300 0.000 0.193 173 E C 2.067 178.596 176.600 -0.118 0.000 0.989 173 E CA 0.864 57.133 56.400 -0.217 0.000 0.800 173 E CB -0.221 29.426 29.700 -0.089 0.000 0.746 173 E HN 0.502 nan 8.360 nan 0.000 0.452 174 F N 1.675 121.528 119.950 -0.161 0.000 2.113 174 F HA -0.152 4.554 4.527 0.299 0.000 0.297 174 F C 1.868 177.602 175.800 -0.110 0.000 1.103 174 F CA 1.240 59.194 58.000 -0.076 0.000 1.248 174 F CB -0.357 38.636 39.000 -0.013 0.000 0.999 174 F HN -0.108 nan 8.300 nan 0.000 0.475 175 L N -0.032 120.806 121.223 -0.642 0.000 2.012 175 L HA -0.241 4.279 4.340 0.300 0.000 0.210 175 L C 1.847 178.497 176.870 -0.366 0.000 1.073 175 L CA 0.737 55.193 54.840 -0.640 0.000 0.748 175 L CB -1.219 40.555 42.059 -0.475 0.000 0.891 175 L HN 0.205 nan 8.230 nan 0.000 0.431 179 E N 1.435 121.504 120.200 -0.219 0.000 2.110 179 E HA -0.177 4.353 4.350 0.300 0.000 0.193 179 E C 1.346 177.749 176.600 -0.328 0.000 0.988 179 E CA 1.913 58.154 56.400 -0.264 0.000 0.804 179 E CB -0.238 29.394 29.700 -0.113 0.000 0.745 179 E HN 0.674 nan 8.360 nan 0.000 0.458 180 E N -0.066 119.962 120.200 -0.287 0.000 2.385 180 E HA 0.028 4.558 4.350 0.300 0.000 0.194 180 E C 1.362 177.787 176.600 -0.291 0.000 1.013 180 E CA 0.133 56.389 56.400 -0.239 0.000 0.866 180 E CB 0.221 29.812 29.700 -0.181 0.000 0.832 180 E HN 0.164 nan 8.360 nan 0.000 0.500 181 N N -0.550 117.852 118.700 -0.497 0.000 2.317 181 N HA 0.028 4.948 4.740 0.300 0.000 0.199 181 N C -0.303 174.529 175.510 -1.130 0.000 1.145 181 N CA 0.366 53.001 53.050 -0.691 0.000 0.882 181 N CB 0.741 38.719 38.487 -0.848 0.000 1.113 181 N HN 0.106 nan 8.380 nan 0.000 0.486 182 Y N 1.764 121.618 120.300 -0.742 0.000 2.516 182 Y HA 0.353 5.082 4.550 0.300 0.000 0.341 182 Y C -2.274 173.040 175.900 -0.975 0.000 0.912 182 Y CA -1.985 55.613 58.100 -0.837 0.000 1.167 182 Y CB 0.710 38.642 38.460 -0.880 0.000 1.195 182 Y HN -0.052 nan 8.280 nan 0.000 0.610 183 P HA 0.000 nan 4.420 nan 0.000 0.271 183 P C 0.111 177.050 177.300 -0.602 0.000 1.218 183 P CA 0.350 63.008 63.100 -0.738 0.000 0.780 183 P CB 1.074 32.261 31.700 -0.856 0.000 0.901 184 E N -0.070 119.892 120.200 -0.398 0.000 2.539 184 E HA -0.164 4.366 4.350 0.300 0.000 0.253 184 E C 0.406 176.882 176.600 -0.206 0.000 1.145 184 E CA 1.049 57.283 56.400 -0.277 0.000 0.738 184 E CB -2.346 27.163 29.700 -0.318 0.000 1.308 184 E HN 0.549 nan 8.360 nan 0.000 0.409 185 T N -0.760 113.692 114.554 -0.171 0.000 3.018 185 T HA 0.105 4.635 4.350 0.300 0.000 0.246 185 T C 0.723 175.447 174.700 0.039 0.000 1.026 185 T CA -0.125 61.940 62.100 -0.059 0.000 1.081 185 T CB 0.296 69.138 68.868 -0.042 0.000 0.970 185 T HN 0.097 nan 8.240 nan 0.000 0.475 186 L N 2.912 124.192 121.223 0.095 0.000 2.360 186 L HA 0.336 4.856 4.340 0.300 0.000 0.276 186 L C 1.147 178.016 176.870 -0.002 0.000 1.121 186 L CA 0.241 55.132 54.840 0.085 0.000 0.845 186 L CB 0.728 42.861 42.059 0.123 0.000 1.143 186 L HN -0.101 nan 8.230 nan 0.000 0.452 187 K N 3.516 123.901 120.400 -0.025 0.000 2.141 187 K HA 0.154 4.654 4.320 0.300 0.000 0.202 187 K C 0.164 176.692 176.600 -0.119 0.000 1.045 187 K CA 0.130 56.388 56.287 -0.049 0.000 0.971 187 K CB 0.391 32.879 32.500 -0.021 0.000 0.795 187 K HN 0.652 nan 8.250 nan 0.000 0.459 188 R N -0.011 120.374 120.500 -0.192 0.000 2.604 188 R HA 0.365 4.885 4.340 0.300 0.000 0.261 188 R C -2.319 173.702 176.300 -0.466 0.000 1.080 188 R CA -0.471 55.398 56.100 -0.384 0.000 0.917 188 R CB 1.232 31.193 30.300 -0.565 0.000 1.252 188 R HN 0.132 nan 8.270 nan 0.000 0.456 189 L N 4.333 125.251 121.223 -0.507 0.000 2.372 189 L HA 0.621 5.141 4.340 0.300 0.000 0.274 189 L C -1.516 175.106 176.870 -0.414 0.000 0.988 189 L CA -0.587 54.035 54.840 -0.363 0.000 0.833 189 L CB 0.901 42.854 42.059 -0.177 0.000 1.236 189 L HN 0.598 nan 8.230 nan 0.000 0.410 190 F N 4.939 124.845 119.950 -0.074 0.000 2.371 190 F HA 0.364 5.071 4.527 0.300 0.000 0.363 190 F C 0.220 175.979 175.800 -0.067 0.000 1.122 190 F CA -0.607 57.347 58.000 -0.077 0.000 1.129 190 F CB 1.407 40.371 39.000 -0.061 0.000 1.173 190 F HN 0.037 nan 8.300 nan 0.000 0.489 191 V N 5.367 125.307 119.914 0.045 0.000 2.408 191 V HA 0.392 4.692 4.120 0.300 0.000 0.267 191 V C -0.071 175.950 176.094 -0.122 0.000 1.047 191 V CA -0.606 61.661 62.300 -0.055 0.000 0.937 191 V CB 0.980 32.645 31.823 -0.265 0.000 0.999 191 V HN 0.560 nan 8.190 nan 0.000 0.472 192 V N 2.354 122.166 119.914 -0.170 0.000 2.715 192 V HA 0.686 4.986 4.120 0.300 0.000 0.310 192 V C 0.214 176.017 176.094 -0.484 0.000 1.054 192 V CA -1.147 60.895 62.300 -0.430 0.000 0.928 192 V CB 1.397 32.790 31.823 -0.716 0.000 1.007 192 V HN 0.838 nan 8.190 nan 0.000 0.437 193 K N 0.978 121.039 120.400 -0.566 0.000 3.129 193 K HA -0.157 4.343 4.320 0.300 0.000 0.273 193 K C 0.535 177.030 176.600 -0.174 0.000 1.123 193 K CA 0.809 56.896 56.287 -0.334 0.000 0.800 193 K CB -1.661 30.637 32.500 -0.337 0.000 1.238 193 K HN 1.502 nan 8.250 nan 0.000 0.492 194 A N 1.765 124.463 122.820 -0.203 0.000 2.524 194 A HA 0.273 4.773 4.320 0.300 0.000 0.250 194 A C -1.001 176.563 177.584 -0.034 0.000 1.078 194 A CA -0.689 51.255 52.037 -0.156 0.000 0.761 194 A CB -0.004 18.700 19.000 -0.494 0.000 1.012 194 A HN 0.156 nan 8.150 nan 0.000 0.500 195 P HA 0.216 nan 4.420 nan 0.000 0.282 195 P C 0.394 177.768 177.300 0.123 0.000 1.287 195 P CA -0.599 62.549 63.100 0.081 0.000 0.792 195 P CB 0.689 32.442 31.700 0.088 0.000 1.163 196 K N -0.023 120.439 120.400 0.103 0.000 2.360 196 K HA -0.093 4.407 4.320 0.300 0.000 0.201 196 K C 1.506 178.184 176.600 0.130 0.000 1.046 196 K CA 0.989 57.342 56.287 0.110 0.000 0.945 196 K CB -0.750 31.800 32.500 0.083 0.000 0.750 196 K HN 0.174 nan 8.250 nan 0.000 0.464 197 L N 0.919 122.222 121.223 0.135 0.000 2.492 197 L HA 0.078 4.598 4.340 0.300 0.000 0.223 197 L C 1.902 178.853 176.870 0.136 0.000 1.132 197 L CA 0.631 55.543 54.840 0.120 0.000 0.850 197 L CB -0.586 41.538 42.059 0.109 0.000 0.966 197 L HN 0.107 nan 8.230 nan 0.000 0.454 198 F N 1.727 121.711 119.950 0.056 0.000 2.063 198 F HA -0.219 4.490 4.527 0.303 0.000 0.298 198 F C -0.560 175.298 175.800 0.097 0.000 1.109 198 F CA 2.151 60.190 58.000 0.064 0.000 1.212 198 F CB -1.629 37.388 39.000 0.028 0.000 0.973 198 F HN 0.178 nan 8.300 nan 0.000 0.480 199 P HA -0.187 nan 4.420 nan 0.000 0.216 199 P C 2.111 179.374 177.300 -0.062 0.000 1.153 199 P CA 2.055 65.144 63.100 -0.018 0.000 0.858 199 P CB -0.079 31.678 31.700 0.095 0.000 0.789 200 V N -0.138 119.759 119.914 -0.028 0.000 2.307 200 V HA -0.238 4.062 4.120 0.300 0.000 0.245 200 V C 2.427 178.484 176.094 -0.061 0.000 1.045 200 V CA 2.259 64.544 62.300 -0.024 0.000 1.024 200 V CB -1.656 30.173 31.823 0.010 0.000 0.651 200 V HN 0.097 nan 8.190 nan 0.000 0.449 201 A N -0.916 121.855 122.820 -0.081 0.000 1.873 201 A HA -0.264 4.236 4.320 0.300 0.000 0.215 201 A C 2.179 179.678 177.584 -0.142 0.000 1.186 201 A CA 2.043 54.035 52.037 -0.074 0.000 0.616 201 A CB -0.819 18.160 19.000 -0.034 0.000 0.823 201 A HN 0.617 nan 8.150 nan 0.000 0.442 202 Y N 1.248 121.261 120.300 -0.478 0.000 2.181 202 Y HA -0.224 4.506 4.550 0.301 0.000 0.288 202 Y C 2.149 177.903 175.900 -0.244 0.000 1.146 202 Y CA 1.936 59.750 58.100 -0.476 0.000 1.164 202 Y CB -0.451 37.511 38.460 -0.829 0.000 0.982 202 Y HN 0.394 nan 8.280 nan 0.000 0.515 203 N N 0.321 118.861 118.700 -0.267 0.000 2.272 203 N HA -0.160 4.760 4.740 0.300 0.000 0.185 203 N C 1.602 176.947 175.510 -0.275 0.000 1.014 203 N CA 1.405 54.294 53.050 -0.268 0.000 0.870 203 N CB -0.392 38.025 38.487 -0.117 0.000 0.975 203 N HN 0.503 nan 8.380 nan 0.000 0.433 204 L N -0.278 120.826 121.223 -0.197 0.000 2.217 204 L HA -0.040 4.480 4.340 0.300 0.000 0.211 204 L C 1.547 178.335 176.870 -0.136 0.000 1.107 204 L CA 0.660 55.425 54.840 -0.125 0.000 0.783 204 L CB -0.267 41.782 42.059 -0.017 0.000 0.919 204 L HN 0.259 nan 8.230 nan 0.000 0.442 205 I N -4.317 116.147 120.570 -0.178 0.000 4.070 205 I HA 0.057 4.407 4.170 0.300 0.000 0.328 205 I C 2.080 177.996 176.117 -0.336 0.000 1.298 205 I CA 0.443 61.715 61.300 -0.047 0.000 1.173 205 I CB -0.351 37.733 38.000 0.140 0.000 1.051 205 I HN -0.048 nan 8.210 nan 0.000 0.409 206 K N 1.919 121.936 120.400 -0.639 0.000 2.089 206 K HA -0.129 4.371 4.320 0.300 0.000 0.210 206 K C -0.552 175.786 176.600 -0.437 0.000 1.048 206 K CA 2.218 58.102 56.287 -0.671 0.000 0.926 206 K CB -1.143 30.895 32.500 -0.772 0.000 0.714 206 K HN 0.294 nan 8.250 nan 0.000 0.448 207 P HA -0.146 nan 4.420 nan 0.000 0.218 207 P C 0.556 177.580 177.300 -0.460 0.000 1.146 207 P CA 1.222 64.000 63.100 -0.537 0.000 0.813 207 P CB -0.030 31.241 31.700 -0.714 0.000 0.778 208 F N -1.654 118.200 119.950 -0.160 0.000 2.615 208 F HA 0.081 4.786 4.527 0.298 0.000 0.297 208 F C 1.264 176.977 175.800 -0.144 0.000 1.124 208 F CA 0.098 58.007 58.000 -0.153 0.000 1.451 208 F CB -1.037 37.853 39.000 -0.183 0.000 1.103 208 F HN -0.184 nan 8.300 nan 0.000 0.569 209 L N 0.370 121.586 121.223 -0.013 0.000 2.334 209 L HA 0.332 4.852 4.340 0.300 0.000 0.277 209 L C 0.809 177.661 176.870 -0.030 0.000 1.075 209 L CA -0.870 53.960 54.840 -0.017 0.000 0.804 209 L CB 1.019 43.069 42.059 -0.016 0.000 1.174 209 L HN -0.003 nan 8.230 nan 0.000 0.438 210 S N 0.527 116.214 115.700 -0.023 0.000 2.614 210 S HA 0.161 4.811 4.470 0.300 0.000 0.265 210 S C 0.724 175.307 174.600 -0.029 0.000 1.303 210 S CA -0.671 57.506 58.200 -0.038 0.000 1.000 210 S CB 1.309 64.475 63.200 -0.056 0.000 0.935 210 S HN 0.690 nan 8.310 nan 0.000 0.551 211 E N 0.457 120.636 120.200 -0.035 0.000 2.110 211 E HA -0.194 4.336 4.350 0.300 0.000 0.193 211 E C 1.522 178.106 176.600 -0.027 0.000 0.988 211 E CA 1.219 57.603 56.400 -0.026 0.000 0.804 211 E CB -0.138 29.544 29.700 -0.029 0.000 0.745 211 E HN 0.816 nan 8.360 nan 0.000 0.458 212 D N 0.270 120.645 120.400 -0.041 0.000 2.104 212 D HA -0.157 4.663 4.640 0.300 0.000 0.194 212 D C 1.724 178.004 176.300 -0.034 0.000 0.994 212 D CA 1.444 55.416 54.000 -0.047 0.000 0.830 212 D CB 0.164 40.921 40.800 -0.073 0.000 0.959 212 D HN 0.064 nan 8.370 nan 0.000 0.452 213 T N 0.556 115.098 114.554 -0.019 0.000 2.737 213 T HA -0.090 4.440 4.350 0.300 0.000 0.265 213 T C 2.130 176.826 174.700 -0.006 0.000 1.038 213 T CA 0.852 62.952 62.100 0.001 0.000 1.144 213 T CB -0.110 68.778 68.868 0.034 0.000 0.866 213 T HN 0.207 nan 8.240 nan 0.000 0.434 214 R N 1.057 121.564 120.500 0.011 0.000 2.105 214 R HA -0.031 4.489 4.340 0.300 0.000 0.239 214 R C 2.438 178.736 176.300 -0.004 0.000 1.135 214 R CA 1.143 57.264 56.100 0.036 0.000 0.967 214 R CB -0.144 30.193 30.300 0.061 0.000 0.861 214 R HN 0.370 nan 8.270 nan 0.000 0.442 215 K N 0.556 120.945 120.400 -0.019 0.000 2.288 215 K HA -0.091 4.409 4.320 0.300 0.000 0.201 215 K C 1.490 178.056 176.600 -0.056 0.000 1.048 215 K CA 0.950 57.219 56.287 -0.031 0.000 0.956 215 K CB 0.106 32.589 32.500 -0.028 0.000 0.746 215 K HN 0.144 nan 8.250 nan 0.000 0.461 216 K N 0.324 120.682 120.400 -0.070 0.000 2.404 216 K HA 0.164 4.664 4.320 0.300 0.000 0.194 216 K C 0.722 177.223 176.600 -0.165 0.000 1.023 216 K CA 0.047 56.265 56.287 -0.115 0.000 1.094 216 K CB 0.315 32.751 32.500 -0.106 0.000 0.841 216 K HN 0.051 nan 8.250 nan 0.000 0.523 220 L N 3.080 124.280 121.223 -0.038 0.000 2.466 220 L HA 0.753 5.273 4.340 0.300 0.000 0.257 220 L C 1.290 178.175 176.870 0.025 0.000 1.189 220 L CA 0.444 55.312 54.840 0.046 0.000 0.813 220 L CB 0.786 42.929 42.059 0.141 0.000 1.118 220 L HN 0.741 nan 8.230 nan 0.000 0.471 221 G N -0.442 108.410 108.800 0.086 0.000 2.890 221 G HA2 0.436 4.576 3.960 0.300 0.000 0.189 221 G HA3 0.436 4.576 3.960 0.300 0.000 0.189 221 G C 0.770 175.786 174.900 0.192 0.000 1.342 221 G CA 0.140 45.292 45.100 0.088 0.000 1.026 221 G HN 0.720 nan 8.290 nan 0.000 0.579 222 A N -0.420 122.490 122.820 0.150 0.000 2.076 222 A HA -0.039 4.461 4.320 0.300 0.000 0.220 222 A C 1.710 179.365 177.584 0.118 0.000 1.160 222 A CA 1.458 53.600 52.037 0.176 0.000 0.653 222 A CB -0.331 18.722 19.000 0.089 0.000 0.801 222 A HN 0.390 nan 8.150 nan 0.000 0.455 223 N N 0.139 118.881 118.700 0.070 0.000 2.313 223 N HA -0.015 4.905 4.740 0.300 0.000 0.207 223 N C 1.217 176.697 175.510 -0.049 0.000 1.141 223 N CA 0.356 53.382 53.050 -0.039 0.000 0.830 223 N CB -0.384 38.090 38.487 -0.022 0.000 1.008 223 N HN 0.890 nan 8.380 nan 0.000 0.481 224 W N 1.425 122.710 121.300 -0.024 0.000 2.308 224 W HA -0.197 4.644 4.660 0.302 0.000 0.301 224 W C 0.923 177.412 176.519 -0.051 0.000 1.220 224 W CA 0.555 57.877 57.345 -0.039 0.000 1.240 224 W CB -0.831 28.620 29.460 -0.016 0.000 1.142 224 W HN 0.043 nan 8.180 nan 0.000 0.521 225 K N 0.829 120.752 120.400 -0.796 0.000 2.032 225 K HA -0.185 4.315 4.320 0.300 0.000 0.209 225 K C 2.071 178.503 176.600 -0.279 0.000 1.048 225 K CA 2.254 58.134 56.287 -0.678 0.000 0.927 225 K CB -0.365 31.599 32.500 -0.893 0.000 0.712 225 K HN 0.225 nan 8.250 nan 0.000 0.441 226 E N 0.406 120.465 120.200 -0.235 0.000 2.077 226 E HA -0.169 4.361 4.350 0.300 0.000 0.193 226 E C 2.067 178.611 176.600 -0.093 0.000 0.989 226 E CA 1.218 57.535 56.400 -0.137 0.000 0.800 226 E CB -0.047 29.587 29.700 -0.111 0.000 0.746 226 E HN 0.050 nan 8.360 nan 0.000 0.452 227 V N 1.770 121.641 119.914 -0.072 0.000 2.287 227 V HA -0.275 4.025 4.120 0.300 0.000 0.248 227 V C 2.360 178.404 176.094 -0.083 0.000 1.053 227 V CA 1.536 63.809 62.300 -0.045 0.000 1.027 227 V CB -0.515 31.291 31.823 -0.028 0.000 0.646 227 V HN 0.280 nan 8.190 nan 0.000 0.447 228 L N -0.601 120.525 121.223 -0.162 0.000 2.042 228 L HA -0.184 4.336 4.340 0.300 0.000 0.210 228 L C 2.272 179.121 176.870 -0.035 0.000 1.076 228 L CA 1.521 56.249 54.840 -0.186 0.000 0.749 228 L CB -0.583 41.442 42.059 -0.057 0.000 0.893 228 L HN 0.313 nan 8.230 nan 0.000 0.432 229 L N -0.358 120.841 121.223 -0.041 0.000 2.633 229 L HA -0.133 4.387 4.340 0.300 0.000 0.235 229 L C 2.102 178.939 176.870 -0.054 0.000 1.163 229 L CA 0.738 55.561 54.840 -0.028 0.000 0.859 229 L CB -0.376 41.656 42.059 -0.045 0.000 0.973 229 L HN 0.249 nan 8.230 nan 0.000 0.451 230 K N -1.296 119.041 120.400 -0.105 0.000 2.379 230 K HA 0.052 4.552 4.320 0.300 0.000 0.194 230 K C 1.297 177.673 176.600 -0.373 0.000 1.031 230 K CA 0.419 56.559 56.287 -0.244 0.000 1.037 230 K CB 0.300 32.597 32.500 -0.338 0.000 0.824 230 K HN 0.418 nan 8.250 nan 0.000 0.516 231 H N -1.059 118.018 119.070 0.012 0.000 3.058 231 H HA 0.286 5.023 4.556 0.300 0.000 0.258 231 H C 0.121 175.498 175.328 0.082 0.000 1.015 231 H CA 0.226 56.320 56.048 0.076 0.000 1.210 231 H CB 1.297 31.157 29.762 0.163 0.000 1.481 231 H HN -0.031 nan 8.280 nan 0.000 0.492 232 I N 0.841 121.503 120.570 0.153 0.000 2.569 232 I HA 0.108 4.458 4.170 0.300 0.000 0.290 232 I C 0.173 176.342 176.117 0.087 0.000 1.088 232 I CA -0.709 60.669 61.300 0.130 0.000 1.047 232 I CB 2.669 40.750 38.000 0.135 0.000 1.237 232 I HN -0.113 nan 8.210 nan 0.000 0.421 233 S N 5.619 121.370 115.700 0.086 0.000 2.563 233 S HA 0.135 4.785 4.470 0.300 0.000 0.284 233 S C -1.538 173.099 174.600 0.063 0.000 1.331 233 S CA -0.607 57.631 58.200 0.064 0.000 1.047 233 S CB 0.885 64.127 63.200 0.070 0.000 0.859 233 S HN 0.390 nan 8.310 nan 0.000 0.514 234 P HA -0.141 nan 4.420 nan 0.000 0.215 234 P C 0.980 178.310 177.300 0.049 0.000 1.157 234 P CA 1.318 64.441 63.100 0.038 0.000 0.874 234 P CB -0.075 31.636 31.700 0.018 0.000 0.790 235 D N -1.334 119.095 120.400 0.048 0.000 2.392 235 D HA -0.159 4.661 4.640 0.300 0.000 0.228 235 D C 1.156 177.495 176.300 0.065 0.000 1.003 235 D CA 0.823 54.854 54.000 0.050 0.000 0.917 235 D CB -0.384 40.444 40.800 0.047 0.000 0.890 235 D HN 0.217 nan 8.370 nan 0.000 0.532 236 Q N 0.152 120.000 119.800 0.080 0.000 2.247 236 Q HA 0.209 4.729 4.340 0.300 0.000 0.211 236 Q C -0.105 175.956 176.000 0.101 0.000 0.861 236 Q CA -0.008 55.849 55.803 0.092 0.000 0.949 236 Q CB 2.007 30.816 28.738 0.119 0.000 1.115 236 Q HN 0.172 nan 8.270 nan 0.000 0.507 237 V N 2.504 122.483 119.914 0.109 0.000 2.495 237 V HA 0.349 4.649 4.120 0.300 0.000 0.298 237 V C -2.343 173.828 176.094 0.128 0.000 1.031 237 V CA -2.169 60.227 62.300 0.159 0.000 0.871 237 V CB 1.916 33.849 31.823 0.183 0.000 0.988 237 V HN -0.030 nan 8.190 nan 0.000 0.432 238 P HA 0.054 nan 4.420 nan 0.000 0.267 238 P C 1.089 178.458 177.300 0.116 0.000 1.200 238 P CA 0.130 63.290 63.100 0.099 0.000 0.772 238 P CB 0.681 32.446 31.700 0.108 0.000 0.855 239 V N 1.915 121.857 119.914 0.048 0.000 2.380 239 V HA -0.268 4.032 4.120 0.300 0.000 0.251 239 V C 2.288 178.380 176.094 -0.003 0.000 1.063 239 V CA 2.319 64.627 62.300 0.014 0.000 1.055 239 V CB -1.073 30.742 31.823 -0.015 0.000 0.657 239 V HN 0.645 nan 8.190 nan 0.000 0.455 240 E N 0.073 120.260 120.200 -0.022 0.000 2.171 240 E HA -0.230 4.300 4.350 0.300 0.000 0.197 240 E C 1.378 177.821 176.600 -0.261 0.000 0.997 240 E CA 1.733 58.038 56.400 -0.159 0.000 0.810 240 E CB -0.291 29.290 29.700 -0.199 0.000 0.738 240 E HN 0.775 nan 8.360 nan 0.000 0.467 241 Y N -1.480 118.933 120.300 0.188 0.000 2.658 241 Y HA 0.384 5.114 4.550 0.300 0.000 0.276 241 Y C 1.298 177.282 175.900 0.139 0.000 1.167 241 Y CA 0.203 58.511 58.100 0.348 0.000 1.230 241 Y CB 0.976 39.703 38.460 0.446 0.000 1.144 241 Y HN 0.186 nan 8.280 nan 0.000 0.529 242 G N -0.791 108.042 108.800 0.055 0.000 2.176 242 G HA2 -0.213 3.927 3.960 0.300 0.000 0.232 242 G HA3 -0.213 3.927 3.960 0.300 0.000 0.232 242 G C 0.721 175.616 174.900 -0.008 0.000 0.986 242 G CA -0.162 44.901 45.100 -0.062 0.000 0.643 242 G HN 0.715 nan 8.290 nan 0.000 0.522 243 G N -0.724 108.109 108.800 0.056 0.000 2.641 243 G HA2 0.828 4.968 3.960 0.300 0.000 0.239 243 G HA3 0.828 4.968 3.960 0.300 0.000 0.239 243 G C 0.375 175.291 174.900 0.025 0.000 1.402 243 G CA 1.016 46.145 45.100 0.048 0.000 1.046 243 G HN 1.378 nan 8.290 nan 0.000 0.565 247 D N 1.078 121.470 120.400 -0.014 0.000 2.377 247 D HA 0.314 5.134 4.640 0.300 0.000 0.245 247 D C -1.405 174.889 176.300 -0.009 0.000 1.196 247 D CA -1.487 52.505 54.000 -0.012 0.000 0.962 247 D CB 1.036 41.827 40.800 -0.016 0.000 1.127 247 D HN 0.304 nan 8.370 nan 0.000 0.471 248 P HA -0.128 nan 4.420 nan 0.000 0.218 248 P C 0.755 178.050 177.300 -0.007 0.000 1.148 248 P CA 1.112 64.209 63.100 -0.004 0.000 0.822 248 P CB 0.139 31.838 31.700 -0.002 0.000 0.784 249 D N -2.020 118.374 120.400 -0.011 0.000 2.340 249 D HA 0.035 4.855 4.640 0.300 0.000 0.220 249 D C 1.268 177.558 176.300 -0.017 0.000 1.039 249 D CA 0.793 54.785 54.000 -0.014 0.000 0.866 249 D CB -0.585 40.206 40.800 -0.016 0.000 0.913 249 D HN 0.219 nan 8.370 nan 0.000 0.523 250 G N 0.966 109.756 108.800 -0.016 0.000 2.141 250 G HA2 -0.280 3.860 3.960 0.300 0.000 0.231 250 G HA3 -0.280 3.860 3.960 0.300 0.000 0.231 250 G C 0.022 174.906 174.900 -0.027 0.000 0.984 250 G CA -0.109 44.979 45.100 -0.019 0.000 0.660 250 G HN 0.489 nan 8.290 nan 0.000 0.525 251 N N 1.046 119.727 118.700 -0.031 0.000 2.468 251 N HA 0.247 5.167 4.740 0.300 0.000 0.265 251 N C -0.916 174.567 175.510 -0.044 0.000 1.199 251 N CA -1.040 51.982 53.050 -0.045 0.000 0.928 251 N CB 1.378 39.835 38.487 -0.050 0.000 1.059 251 N HN 0.039 nan 8.380 nan 0.000 0.467 252 P HA -0.035 nan 4.420 nan 0.000 0.223 252 P C 0.367 177.640 177.300 -0.046 0.000 1.151 252 P CA 1.295 64.365 63.100 -0.050 0.000 0.787 252 P CB 0.328 31.989 31.700 -0.065 0.000 0.788 253 K N -1.853 118.500 120.400 -0.079 0.000 2.426 253 K HA 0.113 4.613 4.320 0.300 0.000 0.193 253 K C 0.124 176.770 176.600 0.077 0.000 1.028 253 K CA 0.090 56.346 56.287 -0.052 0.000 1.047 253 K CB -0.405 31.875 32.500 -0.367 0.000 0.821 253 K HN -0.010 nan 8.250 nan 0.000 0.513 254 C N 2.069 121.378 119.300 0.015 0.000 4.167 254 C HA -0.148 4.492 4.460 0.300 0.000 0.302 254 C C 1.213 176.225 174.990 0.036 0.000 1.384 254 C CA 0.320 59.340 59.018 0.003 0.000 2.041 254 C CB -2.156 25.558 27.740 -0.044 0.000 1.303 254 C HN 0.514 nan 8.230 nan 0.000 0.718 255 K N 1.016 121.456 120.400 0.067 0.000 2.360 255 K HA -0.159 4.341 4.320 0.300 0.000 0.201 255 K C 1.852 178.461 176.600 0.015 0.000 1.046 255 K CA 1.580 57.925 56.287 0.098 0.000 0.940 255 K CB -0.086 32.447 32.500 0.055 0.000 0.748 255 K HN 0.929 nan 8.250 nan 0.000 0.465 256 S N 0.498 116.192 115.700 -0.009 0.000 2.515 256 S HA -0.043 4.607 4.470 0.300 0.000 0.231 256 S C 1.489 176.064 174.600 -0.041 0.000 0.987 256 S CA 0.712 58.898 58.200 -0.023 0.000 0.936 256 S CB 0.113 63.303 63.200 -0.018 0.000 0.766 256 S HN 0.270 nan 8.310 nan 0.000 0.528 257 K N -0.240 120.119 120.400 -0.067 0.000 2.462 257 K HA 0.429 4.929 4.320 0.300 0.000 0.201 257 K C -0.202 176.284 176.600 -0.191 0.000 1.268 257 K CA 0.150 56.372 56.287 -0.109 0.000 0.933 257 K CB 0.619 33.047 32.500 -0.120 0.000 1.162 257 K HN 0.318 nan 8.250 nan 0.000 0.527 258 I N 2.316 122.757 120.570 -0.215 0.000 2.362 258 I HA 0.158 4.508 4.170 0.300 0.000 0.289 258 I C -0.576 175.344 176.117 -0.328 0.000 0.994 258 I CA -0.927 60.141 61.300 -0.387 0.000 1.158 258 I CB 1.301 38.965 38.000 -0.560 0.000 1.315 258 I HN 0.070 nan 8.210 nan 0.000 0.451 259 N N 5.419 123.901 118.700 -0.363 0.000 2.472 259 N HA 0.141 5.061 4.740 0.300 0.000 0.277 259 N C -0.620 174.687 175.510 -0.338 0.000 1.081 259 N CA -0.044 52.875 53.050 -0.219 0.000 0.973 259 N CB 0.903 39.290 38.487 -0.166 0.000 1.105 259 N HN 0.435 nan 8.380 nan 0.000 0.470 260 Y N 2.582 122.833 120.300 -0.081 0.000 2.625 260 Y HA 0.244 4.973 4.550 0.300 0.000 0.285 260 Y C 1.685 177.577 175.900 -0.013 0.000 1.168 260 Y CA 0.344 58.414 58.100 -0.049 0.000 1.250 260 Y CB 0.027 38.465 38.460 -0.037 0.000 1.130 260 Y HN 0.834 nan 8.280 nan 0.000 0.526 261 G N 0.776 109.620 108.800 0.072 0.000 2.611 261 G HA2 0.033 4.173 3.960 0.300 0.000 0.301 261 G HA3 0.033 4.173 3.960 0.300 0.000 0.301 261 G C 0.388 175.418 174.900 0.218 0.000 1.233 261 G CA 0.198 45.371 45.100 0.122 0.000 0.993 261 G HN 1.310 nan 8.290 nan 0.000 0.553 262 G N -1.971 106.940 108.800 0.186 0.000 2.459 262 G HA2 0.435 4.575 3.960 0.300 0.000 0.685 262 G HA3 0.435 4.575 3.960 0.300 0.000 0.685 262 G C -0.910 174.032 174.900 0.069 0.000 1.303 262 G CA 0.466 45.667 45.100 0.168 0.000 0.907 262 G HN 1.189 nan 8.290 nan 0.000 0.632 263 D N 0.054 120.449 120.400 -0.008 0.000 2.424 263 D HA 0.305 5.125 4.640 0.300 0.000 0.244 263 D C 0.925 177.041 176.300 -0.306 0.000 1.134 263 D CA 0.458 54.393 54.000 -0.108 0.000 0.881 263 D CB 1.054 41.817 40.800 -0.062 0.000 1.191 263 D HN 0.441 nan 8.370 nan 0.000 0.445 264 I N 3.943 124.279 120.570 -0.389 0.000 2.352 264 I HA 0.114 4.464 4.170 0.300 0.000 0.290 264 I C -1.939 174.071 176.117 -0.179 0.000 1.036 264 I CA -1.766 59.172 61.300 -0.604 0.000 1.336 264 I CB 0.777 38.538 38.000 -0.397 0.000 1.407 264 I HN 0.006 nan 8.210 nan 0.000 0.497 265 P HA 0.064 nan 4.420 nan 0.000 0.264 265 P C 0.313 177.577 177.300 -0.060 0.000 1.193 265 P CA -0.018 63.087 63.100 0.008 0.000 0.763 265 P CB 0.449 32.234 31.700 0.142 0.000 0.810 266 R N 3.196 123.500 120.500 -0.326 0.000 2.211 266 R HA -0.206 4.314 4.340 0.300 0.000 0.240 266 R C 1.874 177.930 176.300 -0.407 0.000 1.144 266 R CA 1.476 57.116 56.100 -0.766 0.000 0.992 266 R CB -0.332 29.595 30.300 -0.622 0.000 0.869 266 R HN 0.596 nan 8.270 nan 0.000 0.462 267 K N -0.510 119.770 120.400 -0.200 0.000 2.280 267 K HA -0.161 4.339 4.320 0.300 0.000 0.202 267 K C 0.962 177.494 176.600 -0.114 0.000 1.047 267 K CA 1.406 57.589 56.287 -0.174 0.000 0.942 267 K CB -0.161 32.195 32.500 -0.240 0.000 0.739 267 K HN 0.254 nan 8.250 nan 0.000 0.457 268 Y N 0.652 120.994 120.300 0.069 0.000 2.544 268 Y HA 0.074 4.804 4.550 0.300 0.000 0.286 268 Y C 0.333 176.401 175.900 0.280 0.000 1.141 268 Y CA -0.328 57.870 58.100 0.164 0.000 1.299 268 Y CB -0.047 38.516 38.460 0.172 0.000 1.030 268 Y HN -0.054 nan 8.280 nan 0.000 0.543 269 Y N 0.361 120.763 120.300 0.170 0.000 2.610 269 Y HA 0.086 4.816 4.550 0.300 0.000 0.332 269 Y C 1.293 177.249 175.900 0.093 0.000 1.201 269 Y CA -0.508 57.676 58.100 0.139 0.000 1.465 269 Y CB 0.816 39.334 38.460 0.096 0.000 1.283 269 Y HN -0.112 nan 8.280 nan 0.000 0.563 270 V N 0.927 120.972 119.914 0.219 0.000 3.528 270 V HA 0.341 4.641 4.120 0.300 0.000 0.294 270 V C -0.051 176.093 176.094 0.082 0.000 1.404 270 V CA 0.032 62.411 62.300 0.132 0.000 1.065 270 V CB -0.180 31.712 31.823 0.114 0.000 0.904 270 V HN 0.858 nan 8.190 nan 0.000 0.435 271 R N 0.003 120.540 120.500 0.062 0.000 2.728 271 R HA 0.491 5.011 4.340 0.300 0.000 0.274 271 R C -1.259 174.901 176.300 -0.233 0.000 1.030 271 R CA 0.100 56.171 56.100 -0.049 0.000 0.876 271 R CB 0.689 30.968 30.300 -0.034 0.000 1.259 271 R HN 0.125 nan 8.270 nan 0.000 0.468 272 D N -0.547 119.622 120.400 -0.385 0.000 2.479 272 D HA 0.090 4.910 4.640 0.300 0.000 0.218 272 D C -0.338 175.295 176.300 -1.112 0.000 1.177 272 D CA 0.017 53.607 54.000 -0.685 0.000 0.830 272 D CB 0.435 41.072 40.800 -0.273 0.000 1.014 272 D HN 0.616 nan 8.370 nan 0.000 0.503 273 Q N -1.023 118.254 119.800 -0.872 0.000 2.776 273 Q HA 0.468 4.988 4.340 0.300 0.000 0.289 273 Q C -1.426 174.605 176.000 0.052 0.000 0.912 273 Q CA -1.207 54.388 55.803 -0.347 0.000 0.789 273 Q CB 1.357 30.026 28.738 -0.115 0.000 1.498 273 Q HN 0.007 nan 8.270 nan 0.000 0.408 274 V N -2.065 118.024 119.914 0.292 0.000 3.096 274 V HA 0.631 4.931 4.120 0.300 0.000 0.319 274 V C -0.388 175.769 176.094 0.106 0.000 1.103 274 V CA -1.220 61.202 62.300 0.204 0.000 1.016 274 V CB 1.515 33.471 31.823 0.222 0.000 1.090 274 V HN 0.775 nan 8.190 nan 0.000 0.449 275 K N 1.464 121.896 120.400 0.053 0.000 2.401 275 K HA 0.391 4.891 4.320 0.300 0.000 0.278 275 K C -0.479 176.107 176.600 -0.024 0.000 1.018 275 K CA 0.132 56.433 56.287 0.023 0.000 0.981 275 K CB 0.396 32.901 32.500 0.008 0.000 0.933 275 K HN 0.719 nan 8.250 nan 0.000 0.477 276 Q N 1.401 121.174 119.800 -0.045 0.000 2.456 276 Q HA 0.261 4.781 4.340 0.300 0.000 0.283 276 Q C -1.156 174.666 176.000 -0.297 0.000 1.084 276 Q CA -0.833 54.849 55.803 -0.201 0.000 0.801 276 Q CB 2.791 31.379 28.738 -0.249 0.000 1.434 276 Q HN 0.455 nan 8.270 nan 0.000 0.419 277 Q N 0.673 120.202 119.800 -0.452 0.000 2.387 277 Q HA 0.544 5.064 4.340 0.300 0.000 0.273 277 Q C -1.545 174.070 176.000 -0.642 0.000 1.089 277 Q CA -0.644 54.945 55.803 -0.357 0.000 0.824 277 Q CB 2.009 30.638 28.738 -0.182 0.000 1.367 277 Q HN 0.482 nan 8.270 nan 0.000 0.443 278 Y N -0.354 119.924 120.300 -0.036 0.000 2.499 278 Y HA 0.201 4.922 4.550 0.285 0.000 0.347 278 Y C 0.741 176.556 175.900 -0.142 0.000 0.987 278 Y CA -0.753 57.316 58.100 -0.051 0.000 1.044 278 Y CB 1.687 40.124 38.460 -0.039 0.000 1.245 278 Y HN 0.647 nan 8.280 nan 0.000 0.461 279 E N 0.705 120.869 120.200 -0.060 0.000 2.285 279 E HA -0.027 4.503 4.350 0.300 0.000 0.194 279 E C -0.369 175.792 176.600 -0.732 0.000 0.997 279 E CA 0.777 56.974 56.400 -0.339 0.000 0.845 279 E CB 0.211 29.728 29.700 -0.305 0.000 0.782 279 E HN 0.485 nan 8.360 nan 0.000 0.491 280 H N -0.935 117.934 119.070 -0.335 0.000 2.851 280 H HA 0.351 5.149 4.556 0.404 0.000 0.372 280 H C -1.092 173.932 175.328 -0.508 0.000 1.158 280 H CA -0.523 55.198 56.048 -0.545 0.000 1.159 280 H CB 2.182 31.284 29.762 -1.100 0.000 1.757 280 H HN -0.153 nan 8.280 nan 0.000 0.546 281 S N 2.125 117.696 115.700 -0.215 0.000 2.789 281 S HA 0.401 5.051 4.470 0.300 0.000 0.286 281 S C -0.800 173.720 174.600 -0.133 0.000 1.153 281 S CA -0.668 57.431 58.200 -0.168 0.000 1.084 281 S CB -0.170 62.969 63.200 -0.102 0.000 1.036 281 S HN 0.497 nan 8.310 nan 0.000 0.484 282 V N 3.168 122.987 119.914 -0.159 0.000 2.628 282 V HA 0.674 4.974 4.120 0.300 0.000 0.306 282 V C -0.574 175.439 176.094 -0.135 0.000 1.045 282 V CA -0.898 61.298 62.300 -0.173 0.000 0.905 282 V CB 1.584 33.165 31.823 -0.404 0.000 0.997 282 V HN 0.794 nan 8.190 nan 0.000 0.436 283 Q N 3.979 123.732 119.800 -0.077 0.000 2.267 283 Q HA 0.663 5.184 4.340 0.300 0.000 0.255 283 Q C -0.936 175.057 176.000 -0.013 0.000 0.923 283 Q CA -0.249 55.533 55.803 -0.035 0.000 0.925 283 Q CB 2.155 30.889 28.738 -0.006 0.000 1.195 283 Q HN 0.773 nan 8.270 nan 0.000 0.417 284 I N 1.586 122.161 120.570 0.009 0.000 2.447 284 I HA 0.231 4.581 4.170 0.300 0.000 0.287 284 I C -0.194 175.961 176.117 0.062 0.000 1.023 284 I CA -0.627 60.697 61.300 0.039 0.000 1.083 284 I CB 2.024 40.050 38.000 0.044 0.000 1.245 284 I HN 0.532 nan 8.210 nan 0.000 0.434 285 S N 4.711 120.428 115.700 0.028 0.000 2.593 285 S HA 0.224 4.874 4.470 0.300 0.000 0.269 285 S C 0.335 174.864 174.600 -0.117 0.000 1.334 285 S CA -0.497 57.698 58.200 -0.008 0.000 1.015 285 S CB 0.600 63.784 63.200 -0.027 0.000 0.912 285 S HN 0.553 nan 8.310 nan 0.000 0.541 286 R N 0.362 120.676 120.500 -0.311 0.000 2.537 286 R HA 0.236 4.756 4.340 0.300 0.000 0.281 286 R C 1.382 177.329 176.300 -0.589 0.000 0.988 286 R CA 1.202 56.939 56.100 -0.605 0.000 1.077 286 R CB -0.544 29.309 30.300 -0.745 0.000 0.932 286 R HN 0.962 nan 8.270 nan 0.000 0.409 287 G N 2.310 110.653 108.800 -0.761 0.000 2.189 287 G HA2 -0.312 3.828 3.960 0.300 0.000 0.267 287 G HA3 -0.312 3.828 3.960 0.300 0.000 0.267 287 G C -0.015 174.432 174.900 -0.755 0.000 0.975 287 G CA 0.577 44.817 45.100 -1.433 0.000 0.644 287 G HN 0.635 nan 8.290 nan 0.000 0.537 288 S N -0.663 114.815 115.700 -0.371 0.000 2.713 288 S HA 0.821 5.471 4.470 0.300 0.000 0.277 288 S C 0.320 174.883 174.600 -0.063 0.000 1.168 288 S CA 0.170 58.276 58.200 -0.157 0.000 0.994 288 S CB 1.718 64.872 63.200 -0.076 0.000 1.054 288 S HN 0.550 nan 8.310 nan 0.000 0.555 289 S N -0.374 115.323 115.700 -0.005 0.000 2.599 289 S HA 0.552 5.202 4.470 0.300 0.000 0.287 289 S C -1.454 173.211 174.600 0.108 0.000 1.105 289 S CA -0.655 57.574 58.200 0.047 0.000 0.899 289 S CB 1.451 64.650 63.200 -0.002 0.000 1.100 289 S HN 0.745 nan 8.310 nan 0.000 0.482 290 H N 0.962 120.073 119.070 0.068 0.000 2.689 290 H HA 0.476 5.170 4.556 0.230 0.000 0.346 290 H C -1.125 174.243 175.328 0.067 0.000 1.037 290 H CA -0.337 55.763 56.048 0.087 0.000 1.234 290 H CB 0.845 30.697 29.762 0.150 0.000 1.572 290 H HN 0.451 nan 8.280 nan 0.000 0.524 291 Q N 3.640 123.165 119.800 -0.458 0.000 2.309 291 Q HA 0.562 5.082 4.340 0.300 0.000 0.264 291 Q C -1.059 174.718 176.000 -0.372 0.000 1.008 291 Q CA -1.347 54.263 55.803 -0.322 0.000 0.853 291 Q CB 3.195 31.779 28.738 -0.255 0.000 1.314 291 Q HN 0.365 nan 8.270 nan 0.000 0.448 292 V N 1.551 121.352 119.914 -0.189 0.000 2.604 292 V HA 0.391 4.691 4.120 0.300 0.000 0.305 292 V C -0.522 175.508 176.094 -0.107 0.000 1.043 292 V CA -0.831 61.398 62.300 -0.119 0.000 0.888 292 V CB 1.932 33.765 31.823 0.017 0.000 0.995 292 V HN 0.737 nan 8.190 nan 0.000 0.429 293 E N 2.940 123.007 120.200 -0.221 0.000 2.227 293 E HA 0.666 5.196 4.350 0.300 0.000 0.268 293 E C -1.927 174.447 176.600 -0.377 0.000 0.907 293 E CA -0.714 55.591 56.400 -0.159 0.000 0.786 293 E CB 2.671 32.296 29.700 -0.126 0.000 1.191 293 E HN 0.646 nan 8.360 nan 0.000 0.411 294 Y N 0.486 120.828 120.300 0.070 0.000 2.386 294 Y HA 0.181 4.713 4.550 -0.030 0.000 0.334 294 Y C -0.315 175.640 175.900 0.093 0.000 1.002 294 Y CA -0.860 57.286 58.100 0.078 0.000 1.068 294 Y CB 2.021 40.533 38.460 0.087 0.000 1.203 294 Y HN 0.500 nan 8.280 nan 0.000 0.443 295 E N 4.451 124.746 120.200 0.158 0.000 2.167 295 E HA 0.521 5.051 4.350 0.300 0.000 0.284 295 E C -1.253 175.388 176.600 0.068 0.000 1.016 295 E CA -0.256 56.203 56.400 0.099 0.000 0.817 295 E CB 0.592 30.303 29.700 0.019 0.000 1.080 295 E HN 0.607 nan 8.360 nan 0.000 0.397 296 I N 6.706 127.334 120.570 0.098 0.000 2.464 296 I HA 0.114 4.464 4.170 0.300 0.000 0.277 296 I C 0.250 176.347 176.117 -0.033 0.000 1.040 296 I CA -0.417 60.886 61.300 0.006 0.000 1.153 296 I CB 1.298 39.307 38.000 0.015 0.000 1.274 296 I HN 0.635 nan 8.210 nan 0.000 0.469 297 L N 6.836 127.902 121.223 -0.262 0.000 2.298 297 L HA 0.395 4.915 4.340 0.300 0.000 0.209 297 L C 0.200 177.047 176.870 -0.039 0.000 1.084 297 L CA 1.198 55.897 54.840 -0.234 0.000 0.816 297 L CB 0.062 41.872 42.059 -0.415 0.000 0.967 297 L HN 0.198 nan 8.230 nan 0.000 0.460 298 F N 2.001 121.990 119.950 0.065 0.000 2.379 298 F HA 0.468 5.180 4.527 0.308 0.000 0.332 298 F C -1.619 174.212 175.800 0.052 0.000 1.096 298 F CA -2.512 55.520 58.000 0.053 0.000 1.105 298 F CB 0.133 39.160 39.000 0.044 0.000 1.189 298 F HN -0.020 nan 8.300 nan 0.000 0.515 299 P HA 0.201 nan 4.420 nan 0.000 0.276 299 P C 0.399 177.775 177.300 0.126 0.000 1.252 299 P CA 0.036 63.227 63.100 0.151 0.000 0.802 299 P CB 1.264 33.038 31.700 0.124 0.000 1.035 300 G N -0.339 108.518 108.800 0.094 0.000 2.148 300 G HA2 -0.217 3.923 3.960 0.300 0.000 0.254 300 G HA3 -0.217 3.923 3.960 0.300 0.000 0.254 300 G C 0.147 175.086 174.900 0.066 0.000 0.981 300 G CA 0.011 45.158 45.100 0.078 0.000 0.670 300 G HN 0.717 nan 8.290 nan 0.000 0.528 301 C N -0.162 119.173 119.300 0.058 0.000 2.398 301 C HA 0.724 5.364 4.460 0.300 0.000 0.364 301 C C 0.834 175.822 174.990 -0.003 0.000 1.219 301 C CA -0.669 58.367 59.018 0.030 0.000 2.312 301 C CB 1.473 29.226 27.740 0.022 0.000 2.428 301 C HN 0.393 nan 8.230 nan 0.000 0.564 302 V N 3.425 123.335 119.914 -0.008 0.000 2.487 302 V HA 0.382 4.682 4.120 0.300 0.000 0.298 302 V C -0.408 175.673 176.094 -0.022 0.000 1.028 302 V CA -0.452 61.841 62.300 -0.011 0.000 0.860 302 V CB 1.548 33.374 31.823 0.005 0.000 0.991 302 V HN 0.655 nan 8.190 nan 0.000 0.427 303 L N 5.814 127.033 121.223 -0.007 0.000 2.265 303 L HA 0.586 5.106 4.340 0.300 0.000 0.288 303 L C 0.003 176.959 176.870 0.142 0.000 1.058 303 L CA 0.305 55.172 54.840 0.046 0.000 0.809 303 L CB 0.763 42.855 42.059 0.054 0.000 1.179 303 L HN 0.719 nan 8.230 nan 0.000 0.429 304 R N 4.528 125.095 120.500 0.110 0.000 2.599 304 R HA 0.639 5.159 4.340 0.300 0.000 0.295 304 R C -1.833 174.593 176.300 0.210 0.000 0.963 304 R CA -0.650 55.457 56.100 0.011 0.000 0.883 304 R CB 1.290 31.572 30.300 -0.031 0.000 1.171 304 R HN 0.772 nan 8.270 nan 0.000 0.450 305 W N 2.537 123.914 121.300 0.129 0.000 3.062 305 W HA 0.469 5.318 4.660 0.314 0.000 0.336 305 W C -1.907 174.734 176.519 0.202 0.000 1.224 305 W CA -0.891 56.573 57.345 0.199 0.000 1.159 305 W CB 0.811 30.419 29.460 0.247 0.000 1.454 305 W HN 0.615 nan 8.180 nan 0.000 0.569 306 Q N 1.772 121.906 119.800 0.556 0.000 2.320 306 Q HA 0.722 5.243 4.340 0.300 0.000 0.272 306 Q C -1.502 174.901 176.000 0.673 0.000 1.023 306 Q CA -0.834 55.224 55.803 0.425 0.000 0.855 306 Q CB 2.720 31.631 28.738 0.289 0.000 1.367 306 Q HN 0.945 nan 8.270 nan 0.000 0.406 310 D N -0.351 120.051 120.400 0.002 0.000 2.440 310 D HA 0.659 5.479 4.640 0.300 0.000 0.239 310 D C 1.055 177.332 176.300 -0.037 0.000 1.084 310 D CA 0.853 54.852 54.000 -0.001 0.000 0.843 310 D CB 0.591 41.373 40.800 -0.030 0.000 1.097 310 D HN 1.349 nan 8.370 nan 0.000 0.531 311 G N 2.303 111.100 108.800 -0.006 0.000 2.391 311 G HA2 0.244 4.384 3.960 0.300 0.000 0.204 311 G HA3 0.244 4.384 3.960 0.300 0.000 0.204 311 G C 0.385 175.218 174.900 -0.111 0.000 1.012 311 G CA -0.059 45.001 45.100 -0.067 0.000 0.651 311 G HN 1.354 nan 8.290 nan 0.000 0.494 312 A N -0.329 122.362 122.820 -0.214 0.000 2.438 312 A HA 0.578 5.078 4.320 0.300 0.000 0.301 312 A C -0.998 176.231 177.584 -0.592 0.000 1.101 312 A CA 0.371 52.066 52.037 -0.570 0.000 0.621 312 A CB -0.075 18.782 19.000 -0.238 0.000 1.350 312 A HN 1.004 nan 8.150 nan 0.000 0.496 313 D N 0.128 120.191 120.400 -0.562 0.000 2.360 313 D HA 0.442 5.262 4.640 0.300 0.000 0.242 313 D C 0.296 176.647 176.300 0.085 0.000 1.184 313 D CA 0.481 54.459 54.000 -0.036 0.000 0.930 313 D CB 1.210 42.063 40.800 0.088 0.000 1.161 313 D HN 1.436 nan 8.370 nan 0.000 0.447 314 V N -4.031 116.030 119.914 0.245 0.000 3.007 314 V HA 0.768 5.068 4.120 0.300 0.000 0.311 314 V C 0.239 176.538 176.094 0.342 0.000 1.120 314 V CA -0.880 61.569 62.300 0.248 0.000 0.980 314 V CB 1.344 33.319 31.823 0.253 0.000 1.033 314 V HN 0.773 nan 8.190 nan 0.000 0.429 315 G N 1.472 110.430 108.800 0.264 0.000 2.415 315 G HA2 0.616 4.756 3.960 0.300 0.000 0.269 315 G HA3 0.616 4.756 3.960 0.300 0.000 0.269 315 G C -1.381 173.723 174.900 0.341 0.000 1.209 315 G CA -0.254 45.011 45.100 0.275 0.000 0.835 315 G HN 1.194 nan 8.290 nan 0.000 0.534 316 F N 1.262 121.335 119.950 0.205 0.000 2.574 316 F HA 0.715 5.386 4.527 0.240 0.000 0.313 316 F C -0.011 175.766 175.800 -0.038 0.000 1.130 316 F CA -0.563 57.406 58.000 -0.051 0.000 0.936 316 F CB 2.061 41.005 39.000 -0.093 0.000 1.219 316 F HN 0.842 nan 8.300 nan 0.000 0.445 317 G N 5.187 113.374 108.800 -1.022 0.000 2.692 317 G HA2 0.664 4.804 3.960 0.300 0.000 0.291 317 G HA3 0.664 4.804 3.960 0.300 0.000 0.291 317 G C -2.185 172.013 174.900 -1.169 0.000 1.423 317 G CA -0.819 43.702 45.100 -0.965 0.000 0.843 317 G HN 0.705 nan 8.290 nan 0.000 0.486 318 I N 0.113 120.061 120.570 -1.038 0.000 2.533 318 I HA 0.554 4.904 4.170 0.300 0.000 0.290 318 I C -1.108 174.581 176.117 -0.713 0.000 1.056 318 I CA -0.588 60.296 61.300 -0.694 0.000 1.057 318 I CB 2.138 39.836 38.000 -0.503 0.000 1.240 318 I HN 0.293 nan 8.210 nan 0.000 0.423 319 F N 5.329 125.142 119.950 -0.228 0.000 2.631 319 F HA 0.650 5.345 4.527 0.280 0.000 0.328 319 F C -0.616 175.036 175.800 -0.247 0.000 1.067 319 F CA -1.048 56.832 58.000 -0.200 0.000 0.969 319 F CB 1.504 40.392 39.000 -0.186 0.000 1.332 319 F HN 0.137 nan 8.300 nan 0.000 0.490 320 L N 2.430 123.605 121.223 -0.080 0.000 2.376 320 L HA 0.499 5.019 4.340 0.300 0.000 0.275 320 L C -0.656 176.121 176.870 -0.156 0.000 0.987 320 L CA -0.777 53.883 54.840 -0.300 0.000 0.828 320 L CB 0.986 42.799 42.059 -0.410 0.000 1.249 320 L HN 0.317 nan 8.230 nan 0.000 0.409 321 K N 3.105 123.415 120.400 -0.149 0.000 2.489 321 K HA 0.149 4.649 4.320 0.300 0.000 0.278 321 K C 0.003 176.550 176.600 -0.088 0.000 1.000 321 K CA 0.220 56.448 56.287 -0.100 0.000 1.012 321 K CB 0.349 32.798 32.500 -0.084 0.000 0.903 321 K HN 0.722 nan 8.250 nan 0.000 0.485 335 E N 2.247 122.466 120.200 0.031 0.000 2.360 335 E HA 0.359 4.889 4.350 0.300 0.000 0.269 335 E C 0.351 176.842 176.600 -0.182 0.000 1.022 335 E CA -0.344 55.949 56.400 -0.178 0.000 0.887 335 E CB 1.498 31.092 29.700 -0.177 0.000 0.990 335 E HN 0.368 nan 8.360 nan 0.000 0.426 336 V N 2.661 122.409 119.914 -0.277 0.000 2.870 336 V HA 0.028 4.328 4.120 0.300 0.000 0.232 336 V C -0.008 175.999 176.094 -0.145 0.000 1.161 336 V CA 0.082 62.294 62.300 -0.145 0.000 1.204 336 V CB 0.274 32.048 31.823 -0.082 0.000 1.003 336 V HN 0.415 nan 8.190 nan 0.000 0.499 337 L N 3.132 124.200 121.223 -0.257 0.000 2.301 337 L HA 0.610 5.130 4.340 0.300 0.000 0.278 337 L C -2.761 173.921 176.870 -0.314 0.000 1.022 337 L CA -2.346 52.377 54.840 -0.195 0.000 0.854 337 L CB 0.746 42.699 42.059 -0.176 0.000 1.226 337 L HN 0.038 nan 8.230 nan 0.000 0.429 338 P HA -0.031 nan 4.420 nan 0.000 0.265 338 P C -0.451 176.752 177.300 -0.161 0.000 1.187 338 P CA 0.198 63.181 63.100 -0.195 0.000 0.766 338 P CB 0.356 32.003 31.700 -0.089 0.000 0.820 339 N N 3.087 121.687 118.700 -0.166 0.000 2.441 339 N HA -0.008 4.912 4.740 0.300 0.000 0.251 339 N C -0.491 175.019 175.510 0.000 0.000 1.242 339 N CA 0.639 53.646 53.050 -0.072 0.000 0.898 339 N CB 0.397 38.873 38.487 -0.018 0.000 1.100 339 N HN 0.447 nan 8.380 nan 0.000 0.443 340 Q N 1.680 121.516 119.800 0.060 0.000 2.578 340 Q HA 0.255 4.775 4.340 0.300 0.000 0.284 340 Q C -1.226 174.736 176.000 -0.064 0.000 0.960 340 Q CA -0.833 54.931 55.803 -0.064 0.000 0.809 340 Q CB 1.273 29.881 28.738 -0.217 0.000 1.462 340 Q HN 0.512 nan 8.270 nan 0.000 0.392 341 R N 1.432 121.862 120.500 -0.117 0.000 2.459 341 R HA 0.431 4.951 4.340 0.300 0.000 0.281 341 R C -1.082 175.123 176.300 -0.158 0.000 1.050 341 R CA -0.005 56.102 56.100 0.012 0.000 1.055 341 R CB 0.223 30.546 30.300 0.038 0.000 1.045 341 R HN 0.487 nan 8.270 nan 0.000 0.495 342 Y N -0.116 120.341 120.300 0.261 0.000 2.477 342 Y HA 0.258 4.996 4.550 0.313 0.000 0.347 342 Y C 0.572 176.636 175.900 0.273 0.000 0.981 342 Y CA -0.850 57.411 58.100 0.268 0.000 1.033 342 Y CB 1.717 40.392 38.460 0.358 0.000 1.245 342 Y HN 0.403 nan 8.280 nan 0.000 0.455 343 N N 1.367 120.289 118.700 0.369 0.000 3.111 343 N HA -0.008 4.912 4.740 0.300 0.000 0.302 343 N C 0.712 176.414 175.510 0.320 0.000 1.317 343 N CA 0.139 53.422 53.050 0.389 0.000 1.151 343 N CB 0.284 38.890 38.487 0.198 0.000 1.456 343 N HN 0.668 nan 8.380 nan 0.000 0.547 344 S N -0.200 115.734 115.700 0.390 0.000 2.595 344 S HA -0.132 4.518 4.470 0.300 0.000 0.235 344 S C 1.384 176.117 174.600 0.221 0.000 0.974 344 S CA 0.470 58.807 58.200 0.229 0.000 0.942 344 S CB -0.452 62.934 63.200 0.310 0.000 0.766 344 S HN 0.559 nan 8.310 nan 0.000 0.536 345 H N 0.385 119.509 119.070 0.090 0.000 2.563 345 H HA 0.360 5.094 4.556 0.298 0.000 0.264 345 H C 1.465 176.817 175.328 0.039 0.000 0.957 345 H CA 0.063 56.144 56.048 0.055 0.000 1.173 345 H CB -0.385 29.410 29.762 0.054 0.000 1.420 345 H HN 0.426 nan 8.280 nan 0.000 0.551 346 L N 0.322 121.306 121.223 -0.397 0.000 2.349 346 L HA 0.245 4.765 4.340 0.300 0.000 0.200 346 L C 0.090 176.879 176.870 -0.134 0.000 1.064 346 L CA 0.151 54.798 54.840 -0.322 0.000 0.821 346 L CB 0.624 42.453 42.059 -0.384 0.000 1.027 346 L HN -0.040 nan 8.230 nan 0.000 0.476 347 V N 0.208 120.071 119.914 -0.084 0.000 2.577 347 V HA 0.354 4.654 4.120 0.300 0.000 0.303 347 V C -2.424 173.659 176.094 -0.020 0.000 1.042 347 V CA -1.586 60.684 62.300 -0.049 0.000 0.872 347 V CB 1.698 33.488 31.823 -0.054 0.000 0.998 347 V HN -0.050 nan 8.190 nan 0.000 0.423 348 P HA 0.135 nan 4.420 nan 0.000 0.266 348 P C -0.627 176.610 177.300 -0.105 0.000 1.193 348 P CA 0.117 63.216 63.100 -0.001 0.000 0.770 348 P CB 0.636 32.420 31.700 0.141 0.000 0.836 349 E N 1.930 121.899 120.200 -0.385 0.000 2.204 349 E HA 0.398 4.928 4.350 0.300 0.000 0.276 349 E C -1.079 175.296 176.600 -0.375 0.000 0.974 349 E CA -0.495 55.582 56.400 -0.540 0.000 0.815 349 E CB 0.623 29.582 29.700 -1.234 0.000 1.119 349 E HN 0.472 nan 8.360 nan 0.000 0.393 350 D N 1.235 121.517 120.400 -0.197 0.000 2.661 350 D HA 0.787 5.607 4.640 0.300 0.000 0.228 350 D C -0.431 175.633 176.300 -0.394 0.000 1.183 350 D CA -0.934 52.959 54.000 -0.178 0.000 0.844 350 D CB 1.624 42.447 40.800 0.038 0.000 1.555 350 D HN 0.545 nan 8.370 nan 0.000 0.453 351 G N -0.649 107.526 108.800 -1.043 0.000 2.608 351 G HA2 0.685 4.825 3.960 0.300 0.000 0.291 351 G HA3 0.685 4.825 3.960 0.300 0.000 0.291 351 G C -1.325 172.565 174.900 -1.683 0.000 1.425 351 G CA -0.556 43.774 45.100 -1.282 0.000 0.787 351 G HN 1.027 nan 8.290 nan 0.000 0.484 352 T N -2.335 111.566 114.554 -1.087 0.000 2.894 352 T HA 0.709 5.239 4.350 0.300 0.000 0.309 352 T C -1.596 173.025 174.700 -0.132 0.000 1.208 352 T CA -0.721 61.033 62.100 -0.577 0.000 1.016 352 T CB 2.063 70.779 68.868 -0.253 0.000 1.192 352 T HN 1.345 nan 8.240 nan 0.000 0.491 353 L N 1.187 122.473 121.223 0.106 0.000 2.470 353 L HA 0.629 5.149 4.340 0.300 0.000 0.268 353 L C -0.470 176.458 176.870 0.096 0.000 0.964 353 L CA -0.134 54.830 54.840 0.207 0.000 0.839 353 L CB 2.377 44.672 42.059 0.393 0.000 1.276 353 L HN 0.933 nan 8.230 nan 0.000 0.403 354 T N 3.803 118.405 114.554 0.080 0.000 2.779 354 T HA 0.159 4.689 4.350 0.300 0.000 0.296 354 T C 0.060 174.789 174.700 0.048 0.000 0.938 354 T CA -0.002 62.130 62.100 0.053 0.000 1.119 354 T CB -0.171 68.736 68.868 0.064 0.000 0.891 354 T HN 0.698 nan 8.240 nan 0.000 0.526 355 C N 4.524 123.816 119.300 -0.012 0.000 2.400 355 C HA 0.170 4.810 4.460 0.300 0.000 0.457 355 C C 2.255 177.300 174.990 0.091 0.000 1.020 355 C CA -0.730 58.266 59.018 -0.037 0.000 1.258 355 C CB -2.173 25.401 27.740 -0.277 0.000 1.532 355 C HN 1.097 nan 8.230 nan 0.000 0.537 356 S N 0.242 116.022 115.700 0.134 0.000 2.383 356 S HA -0.069 4.581 4.470 0.300 0.000 0.227 356 S C 0.219 174.904 174.600 0.142 0.000 1.026 356 S CA 0.986 59.259 58.200 0.122 0.000 0.981 356 S CB -0.054 63.208 63.200 0.103 0.000 0.818 356 S HN 0.718 nan 8.310 nan 0.000 0.472 357 D N 3.755 124.270 120.400 0.192 0.000 2.198 357 D HA 0.425 5.245 4.640 0.300 0.000 0.245 357 D C -2.490 173.944 176.300 0.224 0.000 1.079 357 D CA -1.659 52.437 54.000 0.161 0.000 0.854 357 D CB 1.468 42.327 40.800 0.099 0.000 1.148 357 D HN 0.262 nan 8.370 nan 0.000 0.456 358 P HA 0.374 nan 4.420 nan 0.000 0.274 358 P C 0.123 177.496 177.300 0.121 0.000 1.231 358 P CA -0.082 63.114 63.100 0.160 0.000 0.790 358 P CB 1.426 33.191 31.700 0.108 0.000 0.951 359 G N 0.913 109.796 108.800 0.137 0.000 2.350 359 G HA2 0.130 4.270 3.960 0.300 0.000 0.282 359 G HA3 0.130 4.270 3.960 0.300 0.000 0.282 359 G C -1.584 173.374 174.900 0.096 0.000 1.314 359 G CA -0.846 44.281 45.100 0.046 0.000 0.915 359 G HN 0.444 nan 8.290 nan 0.000 0.499 360 I N 1.287 121.858 120.570 0.000 0.000 2.297 360 I HA 0.333 4.683 4.170 0.300 0.000 0.291 360 I C -0.650 175.464 176.117 -0.005 0.000 1.033 360 I CA -0.503 60.827 61.300 0.049 0.000 1.253 360 I CB 0.722 38.721 38.000 -0.002 0.000 1.396 360 I HN 0.329 nan 8.210 nan 0.000 0.476 361 Y N 5.492 125.826 120.300 0.055 0.000 2.316 361 Y HA 0.378 5.099 4.550 0.285 0.000 0.331 361 Y C 0.227 176.164 175.900 0.062 0.000 1.083 361 Y CA -0.461 57.675 58.100 0.059 0.000 1.206 361 Y CB 1.324 39.828 38.460 0.074 0.000 1.195 361 Y HN 0.187 nan 8.280 nan 0.000 0.497 362 V N 5.808 125.795 119.914 0.122 0.000 2.444 362 V HA 0.357 4.657 4.120 0.300 0.000 0.294 362 V C -0.726 175.377 176.094 0.016 0.000 1.022 362 V CA -0.871 61.464 62.300 0.058 0.000 0.850 362 V CB 1.349 33.170 31.823 -0.004 0.000 0.992 362 V HN 0.433 nan 8.190 nan 0.000 0.426 363 L N 5.451 126.624 121.223 -0.085 0.000 2.296 363 L HA 0.651 5.172 4.340 0.300 0.000 0.286 363 L C 0.083 176.712 176.870 -0.402 0.000 1.023 363 L CA -0.000 54.642 54.840 -0.329 0.000 0.812 363 L CB 1.348 43.234 42.059 -0.289 0.000 1.223 363 L HN 0.603 nan 8.230 nan 0.000 0.421 364 R N 2.843 123.037 120.500 -0.510 0.000 2.561 364 R HA 0.591 5.111 4.340 0.300 0.000 0.297 364 R C -1.687 174.315 176.300 -0.497 0.000 0.969 364 R CA -0.535 55.340 56.100 -0.374 0.000 0.879 364 R CB 1.085 31.317 30.300 -0.114 0.000 1.178 364 R HN 0.394 nan 8.270 nan 0.000 0.445 365 F N 2.817 122.753 119.950 -0.024 0.000 2.411 365 F HA 0.343 4.960 4.527 0.149 0.000 0.352 365 F C -0.030 175.776 175.800 0.010 0.000 1.123 365 F CA -0.612 57.378 58.000 -0.016 0.000 1.044 365 F CB 1.698 40.649 39.000 -0.082 0.000 1.135 365 F HN 0.271 nan 8.300 nan 0.000 0.461 366 D N 2.441 122.943 120.400 0.171 0.000 2.278 366 D HA 0.183 5.003 4.640 0.300 0.000 0.245 366 D C -0.766 175.583 176.300 0.082 0.000 1.052 366 D CA -0.449 53.608 54.000 0.096 0.000 0.834 366 D CB 1.826 42.666 40.800 0.066 0.000 1.194 366 D HN 0.326 nan 8.370 nan 0.000 0.481 367 N N 0.307 119.018 118.700 0.018 0.000 2.443 367 N HA 0.216 5.136 4.740 0.300 0.000 0.295 367 N C -0.596 174.859 175.510 -0.092 0.000 1.076 367 N CA -0.253 52.791 53.050 -0.010 0.000 0.919 367 N CB 1.628 40.101 38.487 -0.023 0.000 1.176 367 N HN 0.193 nan 8.380 nan 0.000 0.487 368 T N 1.414 115.938 114.554 -0.049 0.000 2.904 368 T HA 0.188 4.718 4.350 0.300 0.000 0.290 368 T C 0.974 175.583 174.700 -0.151 0.000 1.018 368 T CA 0.084 62.147 62.100 -0.063 0.000 1.075 368 T CB 0.209 69.073 68.868 -0.008 0.000 0.986 368 T HN 0.429 nan 8.240 nan 0.000 0.523 369 Y N 2.439 122.683 120.300 -0.094 0.000 2.583 369 Y HA 0.145 4.878 4.550 0.305 0.000 0.293 369 Y C 2.052 177.831 175.900 -0.201 0.000 1.157 369 Y CA 0.338 58.353 58.100 -0.141 0.000 1.315 369 Y CB 0.051 38.439 38.460 -0.121 0.000 1.021 369 Y HN 0.605 nan 8.280 nan 0.000 0.536 370 S N 0.294 115.926 115.700 -0.114 0.000 2.559 370 S HA -0.130 4.520 4.470 0.300 0.000 0.282 370 S C 1.268 175.744 174.600 -0.206 0.000 1.336 370 S CA -0.338 57.637 58.200 -0.375 0.000 1.037 370 S CB 0.260 63.250 63.200 -0.350 0.000 0.853 370 S HN 0.358 nan 8.310 nan 0.000 0.523 371 F N 2.362 122.367 119.950 0.092 0.000 2.250 371 F HA 0.152 4.859 4.527 0.300 0.000 0.301 371 F C 0.829 176.730 175.800 0.169 0.000 1.077 371 F CA 0.115 58.181 58.000 0.110 0.000 1.348 371 F CB -1.111 37.934 39.000 0.075 0.000 1.040 371 F HN 0.298 nan 8.300 nan 0.000 0.509 372 I N 3.465 124.383 120.570 0.580 0.000 2.291 372 I HA 0.222 4.572 4.170 0.300 0.000 0.290 372 I C -0.066 176.189 176.117 0.230 0.000 1.050 372 I CA -0.432 61.076 61.300 0.345 0.000 1.245 372 I CB 0.129 38.320 38.000 0.319 0.000 1.405 372 I HN 0.205 nan 8.210 nan 0.000 0.478 373 H N 4.653 123.750 119.070 0.045 0.000 2.977 373 H HA 0.726 5.461 4.556 0.297 0.000 0.350 373 H C -1.374 173.944 175.328 -0.016 0.000 1.238 373 H CA -1.432 54.611 56.048 -0.007 0.000 1.124 373 H CB 1.568 31.316 29.762 -0.024 0.000 1.866 373 H HN 0.445 nan 8.280 nan 0.000 0.550 374 A N 1.671 124.440 122.820 -0.086 0.000 2.302 374 A HA 0.238 4.738 4.320 0.300 0.000 0.295 374 A C 1.196 178.717 177.584 -0.106 0.000 1.235 374 A CA -0.363 51.600 52.037 -0.122 0.000 0.876 374 A CB 0.161 19.147 19.000 -0.023 0.000 1.133 374 A HN 0.766 nan 8.150 nan 0.000 0.533 375 K N 1.893 122.176 120.400 -0.194 0.000 2.361 375 K HA 0.144 4.644 4.320 0.300 0.000 0.196 375 K C 0.454 177.036 176.600 -0.030 0.000 1.039 375 K CA 0.717 56.961 56.287 -0.072 0.000 1.001 375 K CB 0.255 32.698 32.500 -0.096 0.000 0.795 375 K HN 0.468 nan 8.250 nan 0.000 0.495 376 K N 0.658 121.023 120.400 -0.058 0.000 2.546 376 K HA 0.317 4.817 4.320 0.300 0.000 0.264 376 K C -1.925 174.613 176.600 -0.104 0.000 0.937 376 K CA -0.824 55.418 56.287 -0.074 0.000 0.833 376 K CB 2.627 35.086 32.500 -0.069 0.000 1.378 376 K HN -0.077 nan 8.250 nan 0.000 0.432 377 V N 3.434 123.253 119.914 -0.158 0.000 2.531 377 V HA 0.414 4.714 4.120 0.300 0.000 0.301 377 V C -1.017 174.946 176.094 -0.219 0.000 1.034 377 V CA -1.047 61.112 62.300 -0.234 0.000 0.865 377 V CB 1.847 33.388 31.823 -0.470 0.000 0.995 377 V HN 0.737 nan 8.190 nan 0.000 0.424 378 N N 4.777 123.315 118.700 -0.271 0.000 2.399 378 N HA 0.764 5.684 4.740 0.300 0.000 0.295 378 N C -0.855 174.497 175.510 -0.263 0.000 1.048 378 N CA -0.215 52.620 53.050 -0.358 0.000 0.886 378 N CB 2.350 40.486 38.487 -0.585 0.000 1.185 378 N HN 0.660 nan 8.380 nan 0.000 0.487 379 F N -1.765 118.186 119.950 0.001 0.000 2.686 379 F HA 0.669 5.510 4.527 0.523 0.000 0.311 379 F C -0.992 175.110 175.800 0.504 0.000 1.128 379 F CA -0.799 57.392 58.000 0.319 0.000 0.946 379 F CB 1.487 40.625 39.000 0.231 0.000 1.336 379 F HN 0.076 nan 8.300 nan 0.000 0.457 380 T N 1.955 116.984 114.554 0.792 0.000 2.928 380 T HA 0.646 5.176 4.350 0.300 0.000 0.296 380 T C -1.619 173.455 174.700 0.623 0.000 1.000 380 T CA -0.604 61.839 62.100 0.571 0.000 0.989 380 T CB 1.707 70.759 68.868 0.307 0.000 1.005 380 T HN 0.646 nan 8.240 nan 0.000 0.442 381 V N 3.830 124.094 119.914 0.585 0.000 2.525 381 V HA 0.532 4.832 4.120 0.300 0.000 0.299 381 V C -0.530 175.636 176.094 0.119 0.000 1.034 381 V CA -0.842 61.676 62.300 0.363 0.000 0.863 381 V CB 1.922 33.929 31.823 0.308 0.000 0.999 381 V HN 0.875 nan 8.190 nan 0.000 0.423 382 E N 3.099 123.323 120.200 0.040 0.000 2.288 382 E HA 0.630 5.160 4.350 0.300 0.000 0.268 382 E C -1.470 175.085 176.600 -0.075 0.000 0.885 382 E CA -0.930 55.466 56.400 -0.006 0.000 0.767 382 E CB 3.105 32.835 29.700 0.051 0.000 1.220 382 E HN 0.370 nan 8.360 nan 0.000 0.427 383 V N 3.644 123.517 119.914 -0.068 0.000 2.318 383 V HA 0.196 4.496 4.120 0.300 0.000 0.271 383 V C -0.205 175.886 176.094 -0.006 0.000 1.030 383 V CA -0.505 61.761 62.300 -0.056 0.000 0.844 383 V CB 0.144 31.948 31.823 -0.032 0.000 1.015 383 V HN 0.488 nan 8.190 nan 0.000 0.460 384 L N 6.495 127.714 121.223 -0.007 0.000 2.319 384 L HA 0.466 4.986 4.340 0.300 0.000 0.280 384 L C -0.205 176.675 176.870 0.016 0.000 1.099 384 L CA -0.084 54.758 54.840 0.003 0.000 0.828 384 L CB 0.614 42.672 42.059 -0.002 0.000 1.150 384 L HN 0.410 nan 8.230 nan 0.000 0.442 385 L N 5.319 126.556 121.223 0.023 0.000 2.334 385 L HA 0.566 5.086 4.340 0.300 0.000 0.275 385 L C -2.069 174.817 176.870 0.026 0.000 1.036 385 L CA -2.001 52.866 54.840 0.044 0.000 0.807 385 L CB 1.611 43.709 42.059 0.065 0.000 1.231 385 L HN 0.394 nan 8.230 nan 0.000 0.438 386 P HA 0.054 nan 4.420 nan 0.000 0.277 386 P C -1.225 176.093 177.300 0.031 0.000 1.240 386 P CA -0.404 62.715 63.100 0.032 0.000 0.798 386 P CB 1.038 32.768 31.700 0.051 0.000 0.979 387 D N 2.076 122.497 120.400 0.035 0.000 2.371 387 D HA -0.012 4.808 4.640 0.300 0.000 0.256 387 D C 1.338 177.676 176.300 0.065 0.000 1.193 387 D CA 0.016 54.050 54.000 0.057 0.000 0.881 387 D CB 0.560 41.445 40.800 0.142 0.000 1.143 387 D HN 0.040 nan 8.370 nan 0.000 0.473 388 K N 3.433 123.859 120.400 0.043 0.000 2.001 388 K HA -0.199 4.301 4.320 0.300 0.000 0.214 388 K C 1.805 178.431 176.600 0.043 0.000 1.050 388 K CA 1.474 57.781 56.287 0.032 0.000 0.934 388 K CB -0.790 31.718 32.500 0.013 0.000 0.718 388 K HN 0.614 nan 8.250 nan 0.000 0.443 389 A N 0.919 123.769 122.820 0.051 0.000 1.873 389 A HA -0.200 4.300 4.320 0.300 0.000 0.218 389 A C 2.447 180.065 177.584 0.057 0.000 1.193 389 A CA 2.578 54.644 52.037 0.048 0.000 0.629 389 A CB -0.804 18.228 19.000 0.053 0.000 0.826 389 A HN 0.346 nan 8.150 nan 0.000 0.447 390 S N -0.829 114.923 115.700 0.087 0.000 2.359 390 S HA -0.198 4.452 4.470 0.300 0.000 0.224 390 S C 1.949 176.622 174.600 0.120 0.000 1.035 390 S CA 1.456 59.728 58.200 0.119 0.000 1.018 390 S CB -0.345 62.960 63.200 0.175 0.000 0.876 390 S HN 0.752 nan 8.310 nan 0.000 0.448 391 E N 0.810 121.069 120.200 0.099 0.000 2.204 391 E HA -0.189 4.341 4.350 0.300 0.000 0.195 391 E C 1.739 178.374 176.600 0.059 0.000 0.990 391 E CA 0.892 57.341 56.400 0.083 0.000 0.821 391 E CB 0.080 29.818 29.700 0.064 0.000 0.750 391 E HN 0.373 nan 8.360 nan 0.000 0.477 392 E N 1.334 121.561 120.200 0.046 0.000 2.017 392 E HA -0.112 4.418 4.350 0.300 0.000 0.193 392 E C 0.849 177.467 176.600 0.030 0.000 0.997 392 E CA 0.914 57.332 56.400 0.031 0.000 0.804 392 E CB -0.247 29.466 29.700 0.023 0.000 0.757 392 E HN 0.273 nan 8.360 nan 0.000 0.448 396 Q N 0.000 119.815 119.800 0.024 0.000 2.315 396 Q HA 0.000 4.520 4.340 0.300 0.000 0.214 396 Q CA 0.000 nan 55.803 nan 0.000 1.022 396 Q CB 0.000 nan 28.738 nan 0.000 1.108 396 Q HN 0.000 nan 8.270 nan 0.000 0.481