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 1hqc_1_A DATA FIRST_RESID 5 DATA SEQUENCE ALRPKTLDEY IGQERLKQKL RVYLEAAKAR KEPLEHLLLF GPPGLGKTTL DATA SEQUENCE AHVIAHELGV NLRVTSGPAI EKPGDLAAIL ANSLEEGDIL FIDEIHRLSR DATA SEQUENCE QAEEHLYPAM EDFVMDIVIG QGPAARTIRL ELPRFTLIGA TTRPGLITAP DATA SEQUENCE LLSRFGIVEH LEYYTPEELA QGVMRDARLL GVRITEEAAL EIGRRSRGTM DATA SEQUENCE RVAKRLFRRV RDFAQVAGEE VITRERALEA LAALGLDELG LEKRDREILE DATA SEQUENCE VLILRFGGGP VGLATLATAL SEDPGTLEEV HEPYLIRQGL LKRTPRGRVP DATA SEQUENCE TELAYRHLGY PPPV 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.561 177.584 -0.039 0.000 1.274 5 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 5 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 6 L N 2.745 123.946 121.223 -0.037 0.000 2.309 6 L HA 0.843 5.183 4.340 -0.000 0.000 0.282 6 L C 0.307 177.140 176.870 -0.060 0.000 1.036 6 L CA -0.669 54.141 54.840 -0.050 0.000 0.806 6 L CB 1.006 43.044 42.059 -0.036 0.000 1.220 6 L HN 0.792 nan 8.230 nan 0.000 0.429 7 R N 3.979 124.430 120.500 -0.080 0.000 2.869 7 R HA 0.671 5.011 4.340 -0.000 0.000 0.263 7 R C -2.855 173.392 176.300 -0.088 0.000 1.066 7 R CA -1.976 54.072 56.100 -0.088 0.000 0.960 7 R CB 0.585 30.827 30.300 -0.096 0.000 1.221 7 R HN 0.304 nan 8.270 nan 0.000 0.474 8 P HA 0.047 nan 4.420 nan 0.000 0.266 8 P C -0.895 176.359 177.300 -0.078 0.000 1.195 8 P CA -0.150 62.906 63.100 -0.074 0.000 0.768 8 P CB 0.938 32.600 31.700 -0.063 0.000 0.838 9 K N 0.410 120.725 120.400 -0.141 0.000 2.225 9 K HA 0.093 4.413 4.320 -0.000 0.000 0.204 9 K C 1.209 177.585 176.600 -0.374 0.000 1.047 9 K CA 0.750 56.857 56.287 -0.299 0.000 0.970 9 K CB -0.888 31.335 32.500 -0.461 0.000 0.939 9 K HN 0.438 nan 8.250 nan 0.000 0.472 10 T N 0.917 115.297 114.554 -0.290 0.000 2.910 10 T HA 0.098 4.448 4.350 -0.000 0.000 0.293 10 T C 0.958 175.663 174.700 0.009 0.000 1.015 10 T CA -0.544 61.473 62.100 -0.138 0.000 1.094 10 T CB 0.404 69.225 68.868 -0.078 0.000 0.968 10 T HN 0.087 nan 8.240 nan 0.000 0.521 11 L N 3.532 124.779 121.223 0.041 0.000 2.349 11 L HA 0.029 4.369 4.340 -0.000 0.000 0.220 11 L C 1.486 178.393 176.870 0.063 0.000 1.130 11 L CA 1.877 56.748 54.840 0.051 0.000 0.791 11 L CB -0.851 41.219 42.059 0.019 0.000 0.918 11 L HN 0.709 nan 8.230 nan 0.000 0.444 12 D N -0.695 119.735 120.400 0.050 0.000 2.144 12 D HA -0.122 4.518 4.640 -0.000 0.000 0.207 12 D C 1.897 178.239 176.300 0.070 0.000 0.970 12 D CA 1.228 55.257 54.000 0.048 0.000 0.853 12 D CB -0.069 40.748 40.800 0.027 0.000 1.007 12 D HN 0.398 nan 8.370 nan 0.000 0.469 13 E N -0.456 119.775 120.200 0.051 0.000 2.396 13 E HA -0.168 4.182 4.350 -0.000 0.000 0.200 13 E C -0.025 176.625 176.600 0.082 0.000 1.023 13 E CA 0.134 56.559 56.400 0.040 0.000 0.857 13 E CB -0.139 29.557 29.700 -0.007 0.000 0.775 13 E HN 0.429 nan 8.360 nan 0.000 0.525 14 Y N 1.203 121.504 120.300 0.002 0.000 2.587 14 Y HA 0.023 4.573 4.550 -0.000 0.000 0.344 14 Y C -0.116 175.811 175.900 0.046 0.000 1.061 14 Y CA -0.824 57.292 58.100 0.027 0.000 1.370 14 Y CB 0.187 38.664 38.460 0.029 0.000 1.163 14 Y HN -0.137 nan 8.280 nan 0.000 0.527 15 I N 6.981 127.606 120.570 0.091 0.000 2.471 15 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 15 I C 0.716 177.019 176.117 0.310 0.000 1.123 15 I CA 0.916 62.308 61.300 0.153 0.000 1.336 15 I CB -0.566 37.473 38.000 0.065 0.000 1.430 15 I HN 0.806 nan 8.210 nan 0.000 0.533 16 G N 4.357 113.321 108.800 0.272 0.000 2.462 16 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.685 16 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.685 16 G C -0.689 174.249 174.900 0.063 0.000 1.295 16 G CA -1.061 44.133 45.100 0.157 0.000 0.941 16 G HN 0.474 nan 8.290 nan 0.000 0.554 17 Q N -0.938 118.792 119.800 -0.116 0.000 2.453 17 Q HA -0.170 4.170 4.340 -0.000 0.000 0.330 17 Q C 1.295 177.239 176.000 -0.093 0.000 1.417 17 Q CA 1.522 57.241 55.803 -0.141 0.000 0.902 17 Q CB -1.160 27.464 28.738 -0.189 0.000 1.154 17 Q HN 0.833 nan 8.270 nan 0.000 0.395 18 E N 0.987 121.157 120.200 -0.050 0.000 2.012 18 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 18 E C 1.682 178.259 176.600 -0.038 0.000 1.007 18 E CA 0.852 57.232 56.400 -0.033 0.000 0.816 18 E CB -0.023 29.669 29.700 -0.013 0.000 0.762 18 E HN 0.353 nan 8.360 nan 0.000 0.451 19 R N 0.590 121.073 120.500 -0.030 0.000 2.134 19 R HA -0.193 4.147 4.340 -0.000 0.000 0.248 19 R C 2.427 178.715 176.300 -0.019 0.000 1.143 19 R CA 0.946 57.035 56.100 -0.019 0.000 0.957 19 R CB -1.103 29.192 30.300 -0.009 0.000 0.867 19 R HN 0.192 nan 8.270 nan 0.000 0.441 20 L N 1.522 122.723 121.223 -0.037 0.000 2.056 20 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 20 L C 2.044 178.878 176.870 -0.061 0.000 1.078 20 L CA 1.841 56.656 54.840 -0.042 0.000 0.749 20 L CB -0.383 41.627 42.059 -0.081 0.000 0.901 20 L HN 0.033 nan 8.230 nan 0.000 0.433 21 K N -0.857 119.483 120.400 -0.100 0.000 2.032 21 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 21 K C 2.063 178.637 176.600 -0.043 0.000 1.048 21 K CA 1.995 58.223 56.287 -0.099 0.000 0.927 21 K CB -0.237 32.201 32.500 -0.102 0.000 0.712 21 K HN 0.515 nan 8.250 nan 0.000 0.441 22 Q N 0.874 120.653 119.800 -0.035 0.000 1.975 22 Q HA -0.186 4.154 4.340 -0.000 0.000 0.205 22 Q C 2.149 178.128 176.000 -0.035 0.000 0.990 22 Q CA 1.601 57.384 55.803 -0.033 0.000 0.845 22 Q CB -0.152 28.566 28.738 -0.032 0.000 0.913 22 Q HN 0.208 nan 8.270 nan 0.000 0.420 23 K N 0.419 120.812 120.400 -0.011 0.000 2.127 23 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 23 K C 2.086 178.766 176.600 0.133 0.000 1.047 23 K CA 1.233 57.536 56.287 0.026 0.000 0.927 23 K CB -0.185 32.387 32.500 0.120 0.000 0.716 23 K HN 0.183 nan 8.250 nan 0.000 0.450 24 L N -0.280 121.023 121.223 0.133 0.000 2.023 24 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 24 L C 2.556 179.493 176.870 0.112 0.000 1.073 24 L CA 0.957 55.906 54.840 0.182 0.000 0.745 24 L CB -0.373 41.716 42.059 0.049 0.000 0.900 24 L HN 0.104 nan 8.230 nan 0.000 0.435 25 R N 0.091 120.606 120.500 0.025 0.000 2.134 25 R HA -0.203 4.137 4.340 -0.000 0.000 0.248 25 R C 2.111 178.393 176.300 -0.029 0.000 1.143 25 R CA 1.944 58.044 56.100 -0.001 0.000 0.957 25 R CB -0.857 29.431 30.300 -0.020 0.000 0.867 25 R HN 0.115 nan 8.270 nan 0.000 0.441 26 V N -0.280 119.570 119.914 -0.107 0.000 2.255 26 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 26 V C 1.903 177.875 176.094 -0.202 0.000 1.051 26 V CA 2.208 64.377 62.300 -0.218 0.000 1.018 26 V CB -0.629 30.950 31.823 -0.407 0.000 0.641 26 V HN 0.409 nan 8.190 nan 0.000 0.445 27 Y N -0.529 119.758 120.300 -0.023 0.000 2.274 27 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 27 Y C 2.135 178.022 175.900 -0.021 0.000 1.145 27 Y CA 0.956 59.042 58.100 -0.024 0.000 1.203 27 Y CB -0.357 38.087 38.460 -0.027 0.000 0.984 27 Y HN 0.188 nan 8.280 nan 0.000 0.533 28 L N -0.463 120.837 121.223 0.129 0.000 1.947 28 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 28 L C 2.380 179.274 176.870 0.038 0.000 1.098 28 L CA 1.046 55.930 54.840 0.072 0.000 0.767 28 L CB -0.745 41.349 42.059 0.058 0.000 0.891 28 L HN -0.023 nan 8.230 nan 0.000 0.436 29 E N 0.527 120.739 120.200 0.020 0.000 2.113 29 E HA -0.317 4.033 4.350 -0.000 0.000 0.210 29 E C 2.078 178.679 176.600 0.001 0.000 1.040 29 E CA 1.959 58.362 56.400 0.006 0.000 0.847 29 E CB -0.497 29.199 29.700 -0.006 0.000 0.755 29 E HN 0.483 nan 8.360 nan 0.000 0.459 30 A N -0.152 122.663 122.820 -0.008 0.000 2.032 30 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 30 A C 2.188 179.775 177.584 0.005 0.000 1.165 30 A CA 2.256 54.287 52.037 -0.010 0.000 0.645 30 A CB -0.563 18.422 19.000 -0.024 0.000 0.807 30 A HN 0.320 nan 8.150 nan 0.000 0.453 31 A N -1.130 121.700 122.820 0.018 0.000 2.035 31 A HA 0.160 4.480 4.320 -0.000 0.000 0.208 31 A C 1.933 179.520 177.584 0.004 0.000 1.206 31 A CA 0.780 52.825 52.037 0.014 0.000 0.773 31 A CB -0.090 18.926 19.000 0.026 0.000 0.878 31 A HN 0.400 nan 8.150 nan 0.000 0.469 32 K N 0.306 120.711 120.400 0.008 0.000 2.209 32 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 32 K C 2.066 178.665 176.600 -0.001 0.000 1.048 32 K CA 1.153 57.443 56.287 0.004 0.000 0.940 32 K CB -0.168 32.337 32.500 0.009 0.000 0.729 32 K HN 0.449 nan 8.250 nan 0.000 0.451 33 A N 1.346 124.165 122.820 -0.002 0.000 1.887 33 A HA -0.026 4.294 4.320 -0.000 0.000 0.212 33 A C 2.090 179.669 177.584 -0.008 0.000 1.198 33 A CA 0.464 52.498 52.037 -0.006 0.000 0.628 33 A CB -0.071 18.925 19.000 -0.007 0.000 0.847 33 A HN 0.050 nan 8.150 nan 0.000 0.449 34 R N -0.517 119.979 120.500 -0.008 0.000 2.078 34 R HA 0.143 4.483 4.340 -0.000 0.000 0.224 34 R C 0.085 176.376 176.300 -0.016 0.000 1.149 34 R CA 1.205 57.298 56.100 -0.011 0.000 0.916 34 R CB -0.443 29.852 30.300 -0.008 0.000 0.821 34 R HN 0.428 nan 8.270 nan 0.000 0.434 35 K N -1.559 118.831 120.400 -0.018 0.000 2.685 35 K HA 0.068 4.388 4.320 -0.000 0.000 0.290 35 K C -0.098 176.486 176.600 -0.026 0.000 1.018 35 K CA -0.467 55.805 56.287 -0.025 0.000 0.860 35 K CB 1.396 33.874 32.500 -0.037 0.000 1.498 35 K HN -0.202 nan 8.250 nan 0.000 0.390 36 E N 0.619 120.802 120.200 -0.028 0.000 2.409 36 E HA -0.017 4.333 4.350 -0.000 0.000 0.198 36 E C -1.773 174.806 176.600 -0.035 0.000 1.024 36 E CA 0.314 56.701 56.400 -0.021 0.000 0.861 36 E CB -0.545 29.146 29.700 -0.014 0.000 0.788 36 E HN 0.319 nan 8.360 nan 0.000 0.521 37 P HA -0.054 nan 4.420 nan 0.000 0.240 37 P C 0.151 177.391 177.300 -0.100 0.000 1.594 37 P CA 0.182 63.224 63.100 -0.098 0.000 1.184 37 P CB -0.856 30.771 31.700 -0.122 0.000 1.915 38 L N 1.498 122.671 121.223 -0.082 0.000 2.477 38 L HA 0.057 4.397 4.340 -0.000 0.000 0.272 38 L C 0.889 177.650 176.870 -0.181 0.000 1.157 38 L CA -0.192 54.598 54.840 -0.083 0.000 0.889 38 L CB 0.257 42.293 42.059 -0.037 0.000 1.158 38 L HN 0.202 nan 8.230 nan 0.000 0.473 39 E N 3.093 123.186 120.200 -0.179 0.000 2.458 39 E HA -0.089 4.261 4.350 -0.000 0.000 0.264 39 E C -0.298 176.153 176.600 -0.248 0.000 1.097 39 E CA -0.019 56.226 56.400 -0.260 0.000 0.973 39 E CB 0.335 29.940 29.700 -0.160 0.000 0.963 39 E HN 0.463 nan 8.360 nan 0.000 0.451 40 H N 2.405 121.386 119.070 -0.149 0.000 3.362 40 H HA -0.005 4.551 4.556 -0.000 0.000 0.248 40 H C -0.059 175.313 175.328 0.074 0.000 1.276 40 H CA -0.150 55.795 56.048 -0.171 0.000 1.520 40 H CB -0.837 28.637 29.762 -0.480 0.000 1.624 40 H HN 0.208 nan 8.280 nan 0.000 0.502 41 L N 4.087 125.409 121.223 0.164 0.000 2.461 41 L HA 0.163 4.503 4.340 -0.000 0.000 0.272 41 L C -0.517 176.469 176.870 0.193 0.000 1.197 41 L CA -0.258 54.637 54.840 0.092 0.000 0.836 41 L CB 0.525 42.576 42.059 -0.013 0.000 1.105 41 L HN 0.414 nan 8.230 nan 0.000 0.477 42 L N 5.836 126.978 121.223 -0.134 0.000 2.471 42 L HA 0.471 4.811 4.340 -0.000 0.000 0.263 42 L C -1.441 175.153 176.870 -0.461 0.000 0.985 42 L CA -0.212 54.356 54.840 -0.453 0.000 0.868 42 L CB 1.010 42.376 42.059 -1.155 0.000 1.203 42 L HN 0.557 nan 8.230 nan 0.000 0.429 43 L N 5.018 126.123 121.223 -0.197 0.000 2.290 43 L HA 0.390 4.730 4.340 -0.000 0.000 0.284 43 L C -0.291 176.607 176.870 0.047 0.000 1.078 43 L CA -0.004 54.759 54.840 -0.127 0.000 0.815 43 L CB 0.431 42.504 42.059 0.023 0.000 1.162 43 L HN 0.463 nan 8.230 nan 0.000 0.435 44 F N 1.095 120.932 119.950 -0.189 0.000 2.397 44 F HA 0.689 5.216 4.527 -0.000 0.000 0.331 44 F C 0.813 176.571 175.800 -0.070 0.000 1.090 44 F CA -0.846 57.066 58.000 -0.147 0.000 1.065 44 F CB 2.257 41.146 39.000 -0.185 0.000 1.184 44 F HN 0.506 nan 8.300 nan 0.000 0.499 45 G N 2.935 111.802 108.800 0.112 0.000 2.759 45 G HA2 0.425 4.385 3.960 -0.000 0.000 0.297 45 G HA3 0.425 4.385 3.960 -0.000 0.000 0.297 45 G C -3.251 171.619 174.900 -0.050 0.000 1.434 45 G CA -1.291 43.829 45.100 0.032 0.000 0.980 45 G HN 0.223 nan 8.290 nan 0.000 0.531 46 P HA 0.159 nan 4.420 nan 0.000 0.267 46 P C -2.490 174.755 177.300 -0.092 0.000 1.201 46 P CA -0.780 62.211 63.100 -0.181 0.000 0.775 46 P CB 0.235 31.608 31.700 -0.545 0.000 0.854 47 P HA -0.024 nan 4.420 nan 0.000 0.264 47 P C 0.807 178.136 177.300 0.048 0.000 1.193 47 P CA 1.110 64.218 63.100 0.013 0.000 0.763 47 P CB -0.243 31.472 31.700 0.024 0.000 0.810 48 G N 1.566 110.395 108.800 0.049 0.000 2.165 48 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.226 48 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.226 48 G C -0.550 174.393 174.900 0.072 0.000 1.035 48 G CA -0.525 44.613 45.100 0.063 0.000 0.744 48 G HN 0.519 nan 8.290 nan 0.000 0.501 49 L N 1.523 122.790 121.223 0.072 0.000 2.319 49 L HA 0.694 5.034 4.340 -0.000 0.000 0.281 49 L C 1.161 178.122 176.870 0.152 0.000 1.005 49 L CA -0.569 54.339 54.840 0.114 0.000 0.828 49 L CB 0.944 43.058 42.059 0.091 0.000 1.227 49 L HN 0.471 nan 8.230 nan 0.000 0.415 50 G N 3.709 112.599 108.800 0.149 0.000 2.178 50 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.276 50 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.276 50 G C 0.723 175.755 174.900 0.219 0.000 1.038 50 G CA 0.176 45.368 45.100 0.153 0.000 1.177 50 G HN 0.800 nan 8.290 nan 0.000 0.396 51 K N 1.386 121.916 120.400 0.217 0.000 2.313 51 K HA 0.012 4.332 4.320 -0.000 0.000 0.197 51 K C 2.669 179.336 176.600 0.112 0.000 1.061 51 K CA 0.566 56.996 56.287 0.239 0.000 0.980 51 K CB 0.278 32.969 32.500 0.319 0.000 0.888 51 K HN 0.451 nan 8.250 nan 0.000 0.502 52 T N 1.168 115.747 114.554 0.042 0.000 2.597 52 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 52 T C 1.716 176.296 174.700 -0.200 0.000 1.053 52 T CA 2.267 64.169 62.100 -0.331 0.000 1.165 52 T CB -0.560 68.265 68.868 -0.072 0.000 0.863 52 T HN 0.288 nan 8.240 nan 0.000 0.427 53 T N 2.693 117.277 114.554 0.049 0.000 2.592 53 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 53 T C 1.858 176.691 174.700 0.222 0.000 1.060 53 T CA 1.497 63.683 62.100 0.143 0.000 1.167 53 T CB -0.770 68.133 68.868 0.058 0.000 0.863 53 T HN 0.153 nan 8.240 nan 0.000 0.431 54 L N 1.515 122.950 121.223 0.354 0.000 2.081 54 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 54 L C 2.576 179.488 176.870 0.071 0.000 1.080 54 L CA 1.894 56.931 54.840 0.327 0.000 0.754 54 L CB -1.161 41.000 42.059 0.170 0.000 0.893 54 L HN 0.285 nan 8.230 nan 0.000 0.433 55 A N -1.844 120.917 122.820 -0.099 0.000 1.930 55 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 55 A C 2.218 179.709 177.584 -0.156 0.000 1.175 55 A CA 1.446 53.339 52.037 -0.240 0.000 0.627 55 A CB -0.859 17.668 19.000 -0.788 0.000 0.815 55 A HN 0.638 nan 8.150 nan 0.000 0.443 56 H N -0.402 118.613 119.070 -0.091 0.000 2.353 56 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 56 H C 2.308 177.673 175.328 0.062 0.000 1.090 56 H CA 1.810 57.851 56.048 -0.012 0.000 1.327 56 H CB -0.319 29.437 29.762 -0.010 0.000 1.383 56 H HN 0.288 nan 8.280 nan 0.000 0.508 57 V N 1.420 121.455 119.914 0.201 0.000 2.216 57 V HA -0.247 3.873 4.120 -0.000 0.000 0.243 57 V C 2.742 178.921 176.094 0.141 0.000 1.044 57 V CA 1.789 64.190 62.300 0.168 0.000 0.995 57 V CB -0.719 31.210 31.823 0.177 0.000 0.633 57 V HN 0.292 nan 8.190 nan 0.000 0.446 58 I N 0.525 121.144 120.570 0.082 0.000 2.285 58 I HA -0.373 3.797 4.170 -0.000 0.000 0.253 58 I C 2.517 178.683 176.117 0.081 0.000 1.104 58 I CA 1.729 63.066 61.300 0.062 0.000 1.372 58 I CB -0.567 37.453 38.000 0.035 0.000 1.057 58 I HN 0.380 nan 8.210 nan 0.000 0.431 59 A N -0.268 122.607 122.820 0.093 0.000 1.874 59 A HA -0.232 4.088 4.320 -0.000 0.000 0.214 59 A C 2.343 179.999 177.584 0.120 0.000 1.189 59 A CA 1.426 53.519 52.037 0.095 0.000 0.615 59 A CB -0.866 18.186 19.000 0.086 0.000 0.830 59 A HN 0.484 nan 8.150 nan 0.000 0.443 60 H N 0.080 119.192 119.070 0.071 0.000 2.353 60 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 60 H C 1.864 177.221 175.328 0.047 0.000 1.090 60 H CA 1.822 57.907 56.048 0.062 0.000 1.327 60 H CB -0.021 29.781 29.762 0.067 0.000 1.383 60 H HN 0.413 nan 8.280 nan 0.000 0.508 61 E N 1.060 121.416 120.200 0.261 0.000 2.012 61 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 61 E C 2.720 179.367 176.600 0.077 0.000 1.007 61 E CA 0.769 57.274 56.400 0.175 0.000 0.816 61 E CB -0.661 29.110 29.700 0.118 0.000 0.762 61 E HN 0.473 nan 8.360 nan 0.000 0.451 62 L N 0.061 121.320 121.223 0.059 0.000 2.351 62 L HA -0.127 4.213 4.340 -0.000 0.000 0.220 62 L C 1.075 177.946 176.870 0.002 0.000 1.127 62 L CA 0.828 55.686 54.840 0.030 0.000 0.786 62 L CB -0.770 41.310 42.059 0.035 0.000 0.914 62 L HN 0.331 nan 8.230 nan 0.000 0.443 63 G N 0.755 109.537 108.800 -0.030 0.000 2.353 63 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.294 63 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.294 63 G C -0.133 174.743 174.900 -0.040 0.000 1.077 63 G CA 0.346 45.396 45.100 -0.084 0.000 1.098 63 G HN 0.386 nan 8.290 nan 0.000 0.511 64 V N -3.601 116.305 119.914 -0.013 0.000 3.165 64 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 64 V C 0.016 176.131 176.094 0.034 0.000 1.267 64 V CA -1.725 60.585 62.300 0.016 0.000 1.067 64 V CB 1.770 33.616 31.823 0.039 0.000 1.082 64 V HN 0.234 nan 8.190 nan 0.000 0.451 65 N N 0.800 119.529 118.700 0.049 0.000 2.495 65 N HA 0.667 5.407 4.740 -0.000 0.000 0.280 65 N C -1.191 174.364 175.510 0.075 0.000 1.168 65 N CA -0.234 52.854 53.050 0.062 0.000 0.978 65 N CB 1.981 40.501 38.487 0.055 0.000 1.191 65 N HN 0.765 nan 8.380 nan 0.000 0.497 66 L N 1.304 122.573 121.223 0.078 0.000 2.372 66 L HA 0.399 4.739 4.340 -0.000 0.000 0.274 66 L C -0.663 176.241 176.870 0.056 0.000 0.988 66 L CA -0.637 54.234 54.840 0.051 0.000 0.833 66 L CB 1.100 43.140 42.059 -0.032 0.000 1.236 66 L HN 0.385 nan 8.230 nan 0.000 0.410 67 R N 4.096 124.643 120.500 0.079 0.000 2.233 67 R HA 0.606 4.946 4.340 -0.000 0.000 0.334 67 R C -1.402 174.971 176.300 0.122 0.000 1.037 67 R CA -0.337 55.813 56.100 0.082 0.000 0.920 67 R CB 0.523 30.862 30.300 0.065 0.000 1.137 67 R HN 0.521 nan 8.270 nan 0.000 0.492 68 V N 3.359 123.344 119.914 0.119 0.000 2.732 68 V HA 0.529 4.649 4.120 -0.000 0.000 0.297 68 V C 0.372 176.573 176.094 0.177 0.000 1.060 68 V CA -0.033 62.397 62.300 0.216 0.000 1.038 68 V CB 1.584 33.501 31.823 0.157 0.000 1.003 68 V HN 0.844 nan 8.190 nan 0.000 0.481 69 T N 2.735 117.401 114.554 0.187 0.000 2.893 69 T HA 0.393 4.743 4.350 -0.000 0.000 0.337 69 T C -0.533 174.181 174.700 0.023 0.000 1.587 69 T CA -0.342 61.806 62.100 0.081 0.000 1.066 69 T CB 1.756 70.649 68.868 0.042 0.000 1.414 69 T HN 0.651 nan 8.240 nan 0.000 0.488 70 S N 0.779 116.484 115.700 0.009 0.000 2.713 70 S HA 0.569 5.039 4.470 -0.000 0.000 0.277 70 S C 1.568 176.133 174.600 -0.057 0.000 1.168 70 S CA -0.066 58.117 58.200 -0.027 0.000 0.994 70 S CB 0.998 64.194 63.200 -0.006 0.000 1.054 70 S HN 0.937 nan 8.310 nan 0.000 0.555 71 G N 1.024 109.775 108.800 -0.083 0.000 2.408 71 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.215 71 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.215 71 G C -1.432 173.424 174.900 -0.073 0.000 1.156 71 G CA 0.466 45.509 45.100 -0.094 0.000 0.793 71 G HN 0.483 nan 8.290 nan 0.000 0.535 72 P HA 0.031 nan 4.420 nan 0.000 0.214 72 P C 2.339 179.623 177.300 -0.028 0.000 1.162 72 P CA 1.857 64.928 63.100 -0.048 0.000 0.874 72 P CB -0.135 31.540 31.700 -0.041 0.000 0.784 73 A N 0.376 123.184 122.820 -0.020 0.000 1.929 73 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 73 A C 1.290 178.868 177.584 -0.011 0.000 1.211 73 A CA 1.396 53.428 52.037 -0.008 0.000 0.657 73 A CB -1.858 17.143 19.000 0.002 0.000 0.827 73 A HN 0.106 nan 8.150 nan 0.000 0.462 74 I N 1.164 121.725 120.570 -0.016 0.000 2.593 74 I HA -0.033 4.137 4.170 -0.000 0.000 0.304 74 I C 1.390 177.500 176.117 -0.012 0.000 1.176 74 I CA 0.549 61.841 61.300 -0.013 0.000 1.533 74 I CB -0.703 37.290 38.000 -0.012 0.000 1.492 74 I HN 0.595 nan 8.210 nan 0.000 0.704 75 E N 5.450 125.643 120.200 -0.011 0.000 2.072 75 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 75 E C -0.005 176.591 176.600 -0.007 0.000 0.982 75 E CA 1.087 57.481 56.400 -0.010 0.000 0.803 75 E CB 0.548 30.242 29.700 -0.009 0.000 0.755 75 E HN 0.575 nan 8.360 nan 0.000 0.453 76 K N -1.445 118.950 120.400 -0.008 0.000 2.466 76 K HA 0.307 4.627 4.320 -0.000 0.000 0.260 76 K C -2.366 174.227 176.600 -0.012 0.000 1.011 76 K CA -1.700 54.585 56.287 -0.005 0.000 0.871 76 K CB 1.184 33.676 32.500 -0.012 0.000 1.404 76 K HN -0.331 nan 8.250 nan 0.000 0.450 77 P HA -0.210 nan 4.420 nan 0.000 0.215 77 P C 1.187 178.400 177.300 -0.145 0.000 1.153 77 P CA 1.802 64.859 63.100 -0.072 0.000 0.853 77 P CB -0.037 31.587 31.700 -0.126 0.000 0.788 78 G N 0.628 109.359 108.800 -0.115 0.000 2.681 78 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.220 78 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.220 78 G C 1.257 176.106 174.900 -0.086 0.000 1.210 78 G CA 1.692 46.731 45.100 -0.101 0.000 0.783 78 G HN 0.194 nan 8.290 nan 0.000 0.609 79 D N 0.094 120.458 120.400 -0.059 0.000 2.170 79 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 79 D C 2.364 178.630 176.300 -0.057 0.000 1.004 79 D CA 1.180 55.152 54.000 -0.047 0.000 0.860 79 D CB -0.342 40.440 40.800 -0.030 0.000 0.931 79 D HN 0.269 nan 8.370 nan 0.000 0.448 80 L N 0.790 121.973 121.223 -0.066 0.000 2.044 80 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 80 L C 2.238 179.045 176.870 -0.105 0.000 1.075 80 L CA 1.636 56.434 54.840 -0.071 0.000 0.747 80 L CB -0.918 41.114 42.059 -0.047 0.000 0.903 80 L HN -0.029 nan 8.230 nan 0.000 0.435 81 A N -0.224 122.517 122.820 -0.132 0.000 1.851 81 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 81 A C 2.437 179.956 177.584 -0.107 0.000 1.195 81 A CA 2.103 54.057 52.037 -0.137 0.000 0.622 81 A CB -1.416 17.486 19.000 -0.163 0.000 0.831 81 A HN 0.544 nan 8.150 nan 0.000 0.444 82 A N -0.724 122.043 122.820 -0.089 0.000 2.093 82 A HA -0.128 4.192 4.320 -0.000 0.000 0.222 82 A C 2.047 179.590 177.584 -0.068 0.000 1.162 82 A CA 1.761 53.758 52.037 -0.068 0.000 0.655 82 A CB -0.592 18.376 19.000 -0.053 0.000 0.805 82 A HN 0.560 nan 8.150 nan 0.000 0.461 83 I N -1.373 119.148 120.570 -0.082 0.000 2.512 83 I HA -0.079 4.091 4.170 -0.000 0.000 0.247 83 I C 2.105 178.140 176.117 -0.137 0.000 1.094 83 I CA 0.582 61.830 61.300 -0.086 0.000 1.427 83 I CB -0.217 37.738 38.000 -0.075 0.000 1.149 83 I HN 0.229 nan 8.210 nan 0.000 0.438 84 L N 0.684 121.788 121.223 -0.198 0.000 2.201 84 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 84 L C 2.521 179.266 176.870 -0.209 0.000 1.105 84 L CA 1.037 55.680 54.840 -0.329 0.000 0.775 84 L CB -0.513 41.295 42.059 -0.419 0.000 0.913 84 L HN 0.226 nan 8.230 nan 0.000 0.440 85 A N -0.901 121.842 122.820 -0.128 0.000 2.095 85 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 85 A C 1.762 179.314 177.584 -0.053 0.000 1.162 85 A CA 0.615 52.607 52.037 -0.076 0.000 0.753 85 A CB -0.001 18.962 19.000 -0.062 0.000 0.840 85 A HN 0.350 nan 8.150 nan 0.000 0.468 86 N N -1.497 117.169 118.700 -0.056 0.000 2.984 86 N HA 0.004 4.744 4.740 -0.000 0.000 0.235 86 N C 1.734 177.226 175.510 -0.031 0.000 1.025 86 N CA 1.128 54.156 53.050 -0.036 0.000 1.173 86 N CB -0.692 37.776 38.487 -0.031 0.000 1.615 86 N HN 0.185 nan 8.380 nan 0.000 0.560 87 S N 0.505 116.185 115.700 -0.033 0.000 2.413 87 S HA -0.077 4.393 4.470 -0.000 0.000 0.237 87 S C 0.611 175.201 174.600 -0.016 0.000 1.044 87 S CA 1.000 59.188 58.200 -0.020 0.000 1.024 87 S CB -0.320 62.868 63.200 -0.020 0.000 0.829 87 S HN 0.162 nan 8.310 nan 0.000 0.475 88 L N 2.309 123.509 121.223 -0.037 0.000 2.295 88 L HA 0.448 4.788 4.340 -0.000 0.000 0.285 88 L C 0.060 176.931 176.870 0.001 0.000 1.035 88 L CA -0.613 54.214 54.840 -0.022 0.000 0.806 88 L CB 1.451 43.463 42.059 -0.079 0.000 1.214 88 L HN 0.385 nan 8.230 nan 0.000 0.426 89 E N 3.100 123.319 120.200 0.031 0.000 2.235 89 E HA 0.266 4.617 4.350 -0.000 0.000 0.265 89 E C -0.677 175.965 176.600 0.070 0.000 0.940 89 E CA -0.906 55.517 56.400 0.038 0.000 0.819 89 E CB 1.850 31.566 29.700 0.027 0.000 1.206 89 E HN 0.458 nan 8.360 nan 0.000 0.409 90 E N 0.120 120.359 120.200 0.064 0.000 2.765 90 E HA -0.064 4.286 4.350 -0.000 0.000 0.256 90 E C 0.539 177.180 176.600 0.068 0.000 0.935 90 E CA 1.765 58.207 56.400 0.071 0.000 0.954 90 E CB -0.136 29.576 29.700 0.020 0.000 0.908 90 E HN 0.874 nan 8.360 nan 0.000 0.500 91 G N 4.184 113.044 108.800 0.100 0.000 2.232 91 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 91 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 91 G C 0.117 175.083 174.900 0.110 0.000 0.996 91 G CA 0.088 45.233 45.100 0.076 0.000 0.626 91 G HN 0.617 nan 8.290 nan 0.000 0.509 92 D N 0.395 120.881 120.400 0.144 0.000 2.363 92 D HA 0.481 5.121 4.640 -0.000 0.000 0.240 92 D C 0.891 177.319 176.300 0.213 0.000 1.236 92 D CA 0.328 54.415 54.000 0.146 0.000 0.927 92 D CB 0.727 41.598 40.800 0.119 0.000 1.150 92 D HN 0.350 nan 8.370 nan 0.000 0.458 93 I N 1.338 122.015 120.570 0.180 0.000 2.389 93 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 93 I C -0.226 176.028 176.117 0.229 0.000 0.999 93 I CA -0.634 60.796 61.300 0.217 0.000 1.129 93 I CB 1.740 39.832 38.000 0.153 0.000 1.288 93 I HN 0.017 nan 8.210 nan 0.000 0.444 94 L N 7.131 128.539 121.223 0.307 0.000 2.262 94 L HA 0.424 4.764 4.340 -0.000 0.000 0.288 94 L C -1.178 175.856 176.870 0.275 0.000 1.035 94 L CA -0.564 54.420 54.840 0.240 0.000 0.820 94 L CB 1.005 43.187 42.059 0.205 0.000 1.204 94 L HN 0.541 nan 8.230 nan 0.000 0.424 95 F N 6.984 126.978 119.950 0.074 0.000 2.335 95 F HA 0.365 4.892 4.527 -0.000 0.000 0.365 95 F C 0.182 176.020 175.800 0.063 0.000 1.122 95 F CA -0.836 57.202 58.000 0.063 0.000 1.151 95 F CB 0.553 39.559 39.000 0.011 0.000 1.282 95 F HN 0.276 nan 8.300 nan 0.000 0.513 96 I N 5.408 125.782 120.570 -0.328 0.000 2.224 96 I HA 0.072 4.242 4.170 -0.000 0.000 0.293 96 I C 0.409 176.212 176.117 -0.525 0.000 1.155 96 I CA -0.238 60.885 61.300 -0.296 0.000 1.297 96 I CB -0.827 37.114 38.000 -0.099 0.000 1.487 96 I HN 0.525 nan 8.210 nan 0.000 0.564 97 D N 4.488 124.450 120.400 -0.730 0.000 2.364 97 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 97 D C 0.844 177.024 176.300 -0.199 0.000 1.221 97 D CA 0.592 54.275 54.000 -0.528 0.000 0.891 97 D CB 0.730 41.426 40.800 -0.173 0.000 1.190 97 D HN 0.505 nan 8.370 nan 0.000 0.449 98 E N 0.031 120.189 120.200 -0.070 0.000 2.551 98 E HA -0.292 4.058 4.350 -0.000 0.000 0.251 98 E C 1.309 177.856 176.600 -0.088 0.000 1.210 98 E CA 0.238 56.639 56.400 0.002 0.000 0.725 98 E CB -1.340 28.326 29.700 -0.057 0.000 1.290 98 E HN 0.508 nan 8.360 nan 0.000 0.413 99 I N 0.440 120.975 120.570 -0.057 0.000 2.707 99 I HA -0.344 3.826 4.170 -0.000 0.000 0.266 99 I C 2.199 178.316 176.117 0.001 0.000 1.215 99 I CA 2.273 63.551 61.300 -0.035 0.000 1.442 99 I CB -0.090 37.913 38.000 0.006 0.000 1.108 99 I HN 0.403 nan 8.210 nan 0.000 0.464 100 H N 1.048 120.098 119.070 -0.032 0.000 2.491 100 H HA -0.044 4.512 4.556 -0.000 0.000 0.290 100 H C 0.962 176.282 175.328 -0.014 0.000 1.050 100 H CA 0.503 56.534 56.048 -0.028 0.000 1.309 100 H CB -0.327 29.400 29.762 -0.058 0.000 1.392 100 H HN 0.388 nan 8.280 nan 0.000 0.554 101 R N 1.340 121.533 120.500 -0.512 0.000 2.790 101 R HA 0.410 4.750 4.340 -0.000 0.000 0.274 101 R C -1.212 174.987 176.300 -0.167 0.000 1.334 101 R CA -0.313 55.587 56.100 -0.333 0.000 1.543 101 R CB 0.492 30.525 30.300 -0.445 0.000 1.154 101 R HN 0.193 nan 8.270 nan 0.000 0.601 102 L N 0.683 121.858 121.223 -0.079 0.000 2.331 102 L HA 0.428 4.768 4.340 -0.000 0.000 0.268 102 L C 0.244 177.101 176.870 -0.022 0.000 1.015 102 L CA -1.210 53.607 54.840 -0.037 0.000 0.807 102 L CB 2.176 44.237 42.059 0.004 0.000 1.293 102 L HN 0.426 nan 8.230 nan 0.000 0.451 103 S N 0.333 116.026 115.700 -0.012 0.000 2.531 103 S HA 0.079 4.549 4.470 -0.000 0.000 0.279 103 S C 0.997 175.589 174.600 -0.014 0.000 1.305 103 S CA -0.371 57.823 58.200 -0.010 0.000 1.058 103 S CB 1.075 64.275 63.200 0.000 0.000 0.899 103 S HN 0.598 nan 8.310 nan 0.000 0.493 104 R N 2.764 123.250 120.500 -0.024 0.000 2.165 104 R HA -0.300 4.040 4.340 -0.000 0.000 0.254 104 R C 2.174 178.421 176.300 -0.089 0.000 1.153 104 R CA 2.445 58.518 56.100 -0.045 0.000 0.971 104 R CB -0.296 29.977 30.300 -0.045 0.000 0.878 104 R HN 0.897 nan 8.270 nan 0.000 0.449 105 Q N -0.848 118.909 119.800 -0.073 0.000 2.062 105 Q HA 0.011 4.351 4.340 -0.000 0.000 0.196 105 Q C 2.189 178.153 176.000 -0.060 0.000 0.967 105 Q CA 0.989 56.723 55.803 -0.115 0.000 0.832 105 Q CB -0.374 28.346 28.738 -0.031 0.000 0.899 105 Q HN 0.351 nan 8.270 nan 0.000 0.442 106 A N 1.856 124.708 122.820 0.053 0.000 1.927 106 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 106 A C 2.060 179.686 177.584 0.070 0.000 1.185 106 A CA 1.925 54.027 52.037 0.108 0.000 0.639 106 A CB -0.740 18.291 19.000 0.052 0.000 0.820 106 A HN 0.593 nan 8.150 nan 0.000 0.451 107 E N -0.396 119.814 120.200 0.016 0.000 2.017 107 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 107 E C 1.915 178.470 176.600 -0.075 0.000 0.997 107 E CA 1.284 57.722 56.400 0.065 0.000 0.804 107 E CB -0.209 29.548 29.700 0.096 0.000 0.757 107 E HN 0.728 nan 8.360 nan 0.000 0.448 108 E N -0.607 119.361 120.200 -0.386 0.000 2.284 108 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 108 E C 1.938 178.250 176.600 -0.479 0.000 1.008 108 E CA 0.933 56.898 56.400 -0.726 0.000 0.829 108 E CB -0.070 29.267 29.700 -0.605 0.000 0.744 108 E HN 0.411 nan 8.360 nan 0.000 0.491 109 H N -0.719 118.275 119.070 -0.127 0.000 2.465 109 H HA 0.008 4.564 4.556 0.000 0.000 0.289 109 H C 2.049 177.381 175.328 0.007 0.000 1.022 109 H CA 0.480 56.495 56.048 -0.055 0.000 1.340 109 H CB 0.083 29.817 29.762 -0.046 0.000 1.437 109 H HN 0.118 nan 8.280 nan 0.000 0.539 110 L N 0.564 121.889 121.223 0.169 0.000 2.093 110 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 110 L C 1.836 178.789 176.870 0.139 0.000 1.085 110 L CA 1.145 56.067 54.840 0.137 0.000 0.755 110 L CB -0.647 41.489 42.059 0.128 0.000 0.904 110 L HN 0.027 nan 8.230 nan 0.000 0.435 111 Y N 0.324 120.576 120.300 -0.080 0.000 1.979 111 Y HA -0.240 4.310 4.550 -0.000 0.000 0.262 111 Y C -0.026 175.802 175.900 -0.119 0.000 1.142 111 Y CA 1.774 59.810 58.100 -0.108 0.000 1.096 111 Y CB -2.565 35.850 38.460 -0.076 0.000 0.958 111 Y HN 0.205 nan 8.280 nan 0.000 0.484 112 P HA -0.279 nan 4.420 nan 0.000 0.217 112 P C 1.563 178.849 177.300 -0.023 0.000 1.162 112 P CA 2.857 65.985 63.100 0.047 0.000 0.901 112 P CB -0.293 31.445 31.700 0.064 0.000 0.793 113 A N -1.191 121.623 122.820 -0.009 0.000 1.908 113 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 113 A C 2.202 179.609 177.584 -0.294 0.000 1.181 113 A CA 2.250 54.271 52.037 -0.026 0.000 0.627 113 A CB -1.454 17.592 19.000 0.078 0.000 0.818 113 A HN 0.140 nan 8.150 nan 0.000 0.445 114 M N -1.571 117.812 119.600 -0.362 0.000 2.200 114 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 114 M C 2.209 178.155 176.300 -0.589 0.000 1.066 114 M CA 1.630 56.480 55.300 -0.751 0.000 1.127 114 M CB -0.301 31.800 32.600 -0.831 0.000 1.379 114 M HN 0.630 nan 8.290 nan 0.000 0.420 115 E N 0.621 120.620 120.200 -0.335 0.000 2.014 115 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 115 E C 0.586 177.159 176.600 -0.045 0.000 0.980 115 E CA 1.001 57.308 56.400 -0.156 0.000 0.807 115 E CB 0.397 30.051 29.700 -0.077 0.000 0.770 115 E HN 0.383 nan 8.360 nan 0.000 0.451 116 D N -0.950 119.447 120.400 -0.005 0.000 2.479 116 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 116 D C -0.578 175.931 176.300 0.348 0.000 1.177 116 D CA -0.148 53.964 54.000 0.187 0.000 0.830 116 D CB 0.488 41.362 40.800 0.123 0.000 1.014 116 D HN 0.135 nan 8.370 nan 0.000 0.503 117 F N 0.461 120.478 119.950 0.113 0.000 2.969 117 F HA -0.244 4.283 4.527 -0.000 0.000 0.273 117 F C -0.555 175.315 175.800 0.117 0.000 0.986 117 F CA 0.122 58.226 58.000 0.173 0.000 0.926 117 F CB -1.826 37.275 39.000 0.169 0.000 0.887 117 F HN -0.189 nan 8.300 nan 0.000 0.816 118 V N 1.498 121.516 119.914 0.172 0.000 2.737 118 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 118 V C -0.234 175.908 176.094 0.080 0.000 1.163 118 V CA -0.979 61.392 62.300 0.119 0.000 0.925 118 V CB 2.140 34.026 31.823 0.105 0.000 1.037 118 V HN 0.354 nan 8.190 nan 0.000 0.433 119 M N 3.419 123.056 119.600 0.061 0.000 2.383 119 M HA 0.671 5.151 4.480 -0.000 0.000 0.325 119 M C -1.064 175.264 176.300 0.046 0.000 1.092 119 M CA -0.265 55.070 55.300 0.058 0.000 0.961 119 M CB 1.806 34.419 32.600 0.021 0.000 1.672 119 M HN 0.633 nan 8.290 nan 0.000 0.438 120 D N 3.307 123.756 120.400 0.081 0.000 2.451 120 D HA 0.680 5.320 4.640 -0.000 0.000 0.259 120 D C -0.870 175.450 176.300 0.033 0.000 1.201 120 D CA 0.019 54.056 54.000 0.060 0.000 1.028 120 D CB 1.374 42.218 40.800 0.073 0.000 1.095 120 D HN 0.709 nan 8.370 nan 0.000 0.539 121 I N -0.747 119.835 120.570 0.020 0.000 2.752 121 I HA 0.108 4.278 4.170 -0.000 0.000 0.290 121 I C -1.303 174.812 176.117 -0.003 0.000 1.507 121 I CA -0.789 60.495 61.300 -0.027 0.000 1.038 121 I CB 1.488 39.438 38.000 -0.083 0.000 1.390 121 I HN 0.150 nan 8.210 nan 0.000 0.435 122 V N 6.760 126.677 119.914 0.004 0.000 2.229 122 V HA 0.346 4.466 4.120 -0.000 0.000 0.245 122 V C 0.494 176.584 176.094 -0.007 0.000 1.243 122 V CA -0.251 62.054 62.300 0.008 0.000 1.176 122 V CB -0.145 31.691 31.823 0.021 0.000 1.323 122 V HN 0.587 nan 8.190 nan 0.000 0.499 123 I N 5.363 125.928 120.570 -0.009 0.000 2.648 123 I HA 0.604 4.774 4.170 -0.000 0.000 0.284 123 I C 1.017 177.129 176.117 -0.008 0.000 1.153 123 I CA 1.598 62.891 61.300 -0.012 0.000 1.426 123 I CB 0.353 38.346 38.000 -0.011 0.000 1.381 123 I HN 1.037 nan 8.210 nan 0.000 0.571 124 G N 6.125 114.919 108.800 -0.010 0.000 2.681 124 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 124 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 124 G C -0.889 174.008 174.900 -0.006 0.000 1.353 124 G CA 0.032 45.127 45.100 -0.007 0.000 0.872 124 G HN 0.946 nan 8.290 nan 0.000 0.557 125 Q N -0.466 119.331 119.800 -0.005 0.000 2.309 125 Q HA 0.554 4.894 4.340 -0.000 0.000 0.273 125 Q C 0.402 176.400 176.000 -0.003 0.000 1.040 125 Q CA 0.682 56.483 55.803 -0.004 0.000 0.834 125 Q CB 1.539 30.275 28.738 -0.005 0.000 1.345 125 Q HN 2.873 nan 8.270 nan 0.000 0.414 126 G N 3.263 112.062 108.800 -0.003 0.000 2.527 126 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.227 126 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.227 126 G C -1.978 172.921 174.900 -0.002 0.000 1.291 126 G CA -0.054 45.045 45.100 -0.003 0.000 0.904 126 G HN 0.592 nan 8.290 nan 0.000 0.577 127 P HA 0.349 nan 4.420 nan 0.000 0.245 127 P C 1.074 178.373 177.300 -0.002 0.000 1.203 127 P CA 1.495 64.594 63.100 -0.002 0.000 0.792 127 P CB 0.272 31.971 31.700 -0.002 0.000 0.997 128 A N -0.088 122.731 122.820 -0.002 0.000 2.412 128 A HA 0.570 4.890 4.320 -0.000 0.000 0.253 128 A C 0.850 178.433 177.584 -0.002 0.000 1.334 128 A CA -0.006 52.030 52.037 -0.002 0.000 0.929 128 A CB -0.763 18.236 19.000 -0.002 0.000 0.983 128 A HN 0.313 nan 8.150 nan 0.000 0.508 129 A N -0.264 122.555 122.820 -0.002 0.000 2.469 129 A HA 0.862 5.182 4.320 -0.000 0.000 0.299 129 A C 0.054 177.638 177.584 -0.001 0.000 1.098 129 A CA -0.797 51.239 52.037 -0.002 0.000 0.737 129 A CB 1.361 20.359 19.000 -0.003 0.000 1.312 129 A HN 0.267 nan 8.150 nan 0.000 0.414 130 R N -0.554 119.945 120.500 -0.001 0.000 3.228 130 R HA 0.783 5.123 4.340 -0.000 0.000 0.229 130 R C -0.725 175.576 176.300 0.002 0.000 1.583 130 R CA -0.326 55.774 56.100 0.001 0.000 1.035 130 R CB 0.921 31.221 30.300 0.000 0.000 1.696 130 R HN 0.782 nan 8.270 nan 0.000 0.523 131 T N 0.474 115.031 114.554 0.004 0.000 2.921 131 T HA 0.641 4.991 4.350 -0.000 0.000 0.297 131 T C -0.658 174.046 174.700 0.006 0.000 1.013 131 T CA -0.567 61.538 62.100 0.007 0.000 0.990 131 T CB 0.589 69.464 68.868 0.012 0.000 1.023 131 T HN 0.338 nan 8.240 nan 0.000 0.447 132 I N 3.325 123.898 120.570 0.004 0.000 2.750 132 I HA 0.613 4.783 4.170 -0.000 0.000 0.308 132 I C 0.135 176.257 176.117 0.007 0.000 1.016 132 I CA -1.253 60.049 61.300 0.003 0.000 1.098 132 I CB 2.106 40.104 38.000 -0.003 0.000 1.279 132 I HN 0.544 nan 8.210 nan 0.000 0.454 133 R N 5.382 125.889 120.500 0.011 0.000 2.320 133 R HA 0.537 4.877 4.340 -0.000 0.000 0.319 133 R C -1.645 174.664 176.300 0.016 0.000 0.969 133 R CA -0.508 55.603 56.100 0.018 0.000 0.857 133 R CB 0.548 30.863 30.300 0.024 0.000 1.160 133 R HN 0.593 nan 8.270 nan 0.000 0.491 134 L N 3.507 124.737 121.223 0.011 0.000 2.290 134 L HA 0.375 4.715 4.340 -0.000 0.000 0.284 134 L C 0.066 176.955 176.870 0.031 0.000 1.078 134 L CA -0.437 54.409 54.840 0.010 0.000 0.815 134 L CB 1.233 43.286 42.059 -0.011 0.000 1.162 134 L HN 0.539 nan 8.230 nan 0.000 0.435 135 E N 4.217 124.441 120.200 0.039 0.000 2.194 135 E HA 0.423 4.773 4.350 -0.000 0.000 0.284 135 E C -0.853 175.796 176.600 0.082 0.000 1.035 135 E CA -0.400 56.041 56.400 0.068 0.000 0.836 135 E CB 1.403 31.139 29.700 0.060 0.000 1.070 135 E HN 0.446 nan 8.360 nan 0.000 0.401 136 L N 5.542 126.850 121.223 0.141 0.000 2.343 136 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 136 L C -1.768 175.256 176.870 0.258 0.000 1.056 136 L CA -2.120 52.823 54.840 0.172 0.000 0.804 136 L CB 0.642 42.814 42.059 0.188 0.000 1.203 136 L HN 0.381 nan 8.230 nan 0.000 0.440 137 P HA 0.103 nan 4.420 nan 0.000 0.274 137 P C -0.970 176.497 177.300 0.279 0.000 1.260 137 P CA -0.525 62.668 63.100 0.154 0.000 0.793 137 P CB 0.678 32.444 31.700 0.110 0.000 1.048 138 R N 0.796 121.300 120.500 0.005 0.000 2.216 138 R HA 0.371 4.711 4.340 -0.000 0.000 0.332 138 R C -0.132 176.321 176.300 0.256 0.000 1.056 138 R CA -0.130 55.842 56.100 -0.214 0.000 0.901 138 R CB -0.134 29.815 30.300 -0.585 0.000 1.039 138 R HN 0.481 nan 8.270 nan 0.000 0.456 139 F N -0.723 119.458 119.950 0.385 0.000 2.631 139 F HA 0.628 5.155 4.527 0.000 0.000 0.328 139 F C -0.235 175.754 175.800 0.316 0.000 1.067 139 F CA -1.370 56.791 58.000 0.268 0.000 0.969 139 F CB 1.117 40.259 39.000 0.237 0.000 1.332 139 F HN 0.256 nan 8.300 nan 0.000 0.490 140 T N 0.548 115.168 114.554 0.109 0.000 2.824 140 T HA 0.654 5.004 4.350 -0.000 0.000 0.282 140 T C -1.296 173.523 174.700 0.198 0.000 0.993 140 T CA -0.636 61.427 62.100 -0.062 0.000 0.967 140 T CB 1.406 70.246 68.868 -0.046 0.000 0.960 140 T HN 1.050 nan 8.240 nan 0.000 0.441 141 L N 4.127 125.540 121.223 0.317 0.000 2.307 141 L HA 0.717 5.057 4.340 -0.000 0.000 0.284 141 L C -1.153 175.878 176.870 0.268 0.000 1.023 141 L CA -1.239 53.764 54.840 0.272 0.000 0.810 141 L CB 0.848 42.933 42.059 0.044 0.000 1.231 141 L HN 0.746 nan 8.230 nan 0.000 0.423 142 I N 5.008 125.747 120.570 0.281 0.000 2.382 142 I HA 0.397 4.567 4.170 -0.000 0.000 0.285 142 I C 0.435 176.668 176.117 0.193 0.000 1.007 142 I CA -0.455 61.027 61.300 0.303 0.000 1.142 142 I CB 1.573 39.813 38.000 0.401 0.000 1.289 142 I HN 0.705 nan 8.210 nan 0.000 0.453 143 G N 4.720 113.642 108.800 0.204 0.000 2.343 143 G HA2 0.717 4.677 3.960 -0.000 0.000 0.319 143 G HA3 0.717 4.677 3.960 -0.000 0.000 0.319 143 G C -0.693 174.163 174.900 -0.072 0.000 1.126 143 G CA -0.330 44.779 45.100 0.015 0.000 0.889 143 G HN 0.697 nan 8.290 nan 0.000 0.457 144 A N 1.894 124.626 122.820 -0.147 0.000 2.337 144 A HA 0.945 5.265 4.320 -0.000 0.000 0.331 144 A C -0.084 177.519 177.584 0.032 0.000 1.137 144 A CA -0.597 51.435 52.037 -0.008 0.000 0.807 144 A CB 1.813 20.846 19.000 0.056 0.000 1.250 144 A HN 0.714 nan 8.150 nan 0.000 0.468 145 T N 0.604 115.211 114.554 0.089 0.000 2.993 145 T HA 0.431 4.781 4.350 -0.000 0.000 0.312 145 T C 1.004 175.689 174.700 -0.025 0.000 1.115 145 T CA 0.221 62.349 62.100 0.047 0.000 1.027 145 T CB 1.597 70.433 68.868 -0.054 0.000 1.116 145 T HN 0.871 nan 8.240 nan 0.000 0.464 146 T N -0.172 114.349 114.554 -0.055 0.000 3.035 146 T HA 0.139 4.489 4.350 -0.000 0.000 0.259 146 T C 1.063 175.627 174.700 -0.227 0.000 1.078 146 T CA 0.305 62.353 62.100 -0.087 0.000 1.132 146 T CB 0.132 68.995 68.868 -0.008 0.000 0.900 146 T HN 0.213 nan 8.240 nan 0.000 0.480 147 R N 2.266 122.497 120.500 -0.447 0.000 3.301 147 R HA 0.369 4.709 4.340 -0.000 0.000 0.286 147 R C -1.761 174.238 176.300 -0.501 0.000 1.386 147 R CA -2.604 53.206 56.100 -0.482 0.000 1.607 147 R CB 0.554 30.461 30.300 -0.655 0.000 1.305 147 R HN 0.205 nan 8.270 nan 0.000 0.637 148 P HA -0.225 nan 4.420 nan 0.000 0.219 148 P C 0.552 177.358 177.300 -0.824 0.000 1.149 148 P CA 1.024 63.498 63.100 -1.043 0.000 0.835 148 P CB 0.069 31.248 31.700 -0.868 0.000 0.778 149 G N 0.875 109.404 108.800 -0.452 0.000 2.391 149 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.231 149 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.231 149 G C 0.674 175.426 174.900 -0.247 0.000 1.107 149 G CA -0.242 44.691 45.100 -0.279 0.000 0.863 149 G HN 0.301 nan 8.290 nan 0.000 0.482 150 L N 3.051 124.190 121.223 -0.140 0.000 2.834 150 L HA 0.058 4.398 4.340 -0.000 0.000 0.252 150 L C 2.033 178.870 176.870 -0.054 0.000 1.152 150 L CA 0.495 55.292 54.840 -0.070 0.000 0.898 150 L CB -0.563 41.481 42.059 -0.025 0.000 1.078 150 L HN 0.631 nan 8.230 nan 0.000 0.439 151 I N -0.014 120.504 120.570 -0.088 0.000 3.441 151 I HA -0.084 4.086 4.170 -0.000 0.000 0.316 151 I C -0.083 176.031 176.117 -0.005 0.000 1.214 151 I CA 0.535 61.807 61.300 -0.047 0.000 1.226 151 I CB -0.490 37.460 38.000 -0.082 0.000 0.993 151 I HN 0.528 nan 8.210 nan 0.000 0.563 152 T N -1.513 113.035 114.554 -0.010 0.000 3.068 152 T HA 0.671 5.021 4.350 -0.000 0.000 0.364 152 T C 0.612 175.334 174.700 0.036 0.000 1.161 152 T CA -0.282 61.835 62.100 0.029 0.000 1.155 152 T CB 1.318 70.197 68.868 0.019 0.000 1.060 152 T HN 0.168 nan 8.240 nan 0.000 0.513 153 A N 5.139 127.989 122.820 0.051 0.000 3.206 153 A HA 0.193 4.513 4.320 -0.000 0.000 0.168 153 A C -0.488 177.115 177.584 0.032 0.000 0.807 153 A CA 0.752 52.819 52.037 0.051 0.000 1.161 153 A CB -1.297 17.753 19.000 0.084 0.000 0.803 153 A HN 0.684 nan 8.150 nan 0.000 0.540 154 P HA 0.144 nan 4.420 nan 0.000 0.266 154 P C 1.010 178.208 177.300 -0.169 0.000 1.381 154 P CA 0.150 63.226 63.100 -0.040 0.000 0.940 154 P CB 0.118 31.810 31.700 -0.012 0.000 1.435 155 L N -0.140 120.979 121.223 -0.174 0.000 2.265 155 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 155 L C 2.035 178.954 176.870 0.083 0.000 1.117 155 L CA 1.349 56.049 54.840 -0.234 0.000 0.782 155 L CB -1.211 40.839 42.059 -0.015 0.000 0.914 155 L HN -0.121 nan 8.230 nan 0.000 0.441 156 L N -0.519 120.765 121.223 0.100 0.000 2.046 156 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 156 L C 2.533 179.512 176.870 0.183 0.000 1.077 156 L CA 2.112 57.052 54.840 0.165 0.000 0.747 156 L CB -0.878 41.224 42.059 0.071 0.000 0.896 156 L HN 0.416 nan 8.230 nan 0.000 0.432 157 S N 0.081 115.808 115.700 0.046 0.000 2.381 157 S HA -0.281 4.189 4.470 -0.000 0.000 0.230 157 S C 1.733 176.324 174.600 -0.014 0.000 1.052 157 S CA 1.785 59.986 58.200 0.002 0.000 1.068 157 S CB -0.732 62.439 63.200 -0.049 0.000 0.918 157 S HN 0.504 nan 8.310 nan 0.000 0.448 158 R N 0.316 120.758 120.500 -0.097 0.000 2.535 158 R HA 0.256 4.596 4.340 -0.000 0.000 0.233 158 R C -0.895 175.203 176.300 -0.337 0.000 1.202 158 R CA 0.007 55.970 56.100 -0.229 0.000 1.205 158 R CB -0.331 29.734 30.300 -0.391 0.000 1.153 158 R HN 0.289 nan 8.270 nan 0.000 0.512 159 F N -1.729 118.163 119.950 -0.096 0.000 2.480 159 F HA 0.369 4.896 4.527 -0.000 0.000 0.329 159 F C 1.481 177.236 175.800 -0.075 0.000 1.091 159 F CA -0.643 57.313 58.000 -0.073 0.000 0.972 159 F CB 1.735 40.664 39.000 -0.120 0.000 1.150 159 F HN -0.074 nan 8.300 nan 0.000 0.467 160 G N 2.698 111.553 108.800 0.091 0.000 2.610 160 G HA2 0.116 4.076 3.960 -0.000 0.000 0.215 160 G HA3 0.116 4.076 3.960 -0.000 0.000 0.215 160 G C 0.357 175.202 174.900 -0.092 0.000 1.243 160 G CA 0.110 45.195 45.100 -0.024 0.000 0.847 160 G HN 0.327 nan 8.290 nan 0.000 0.560 161 I N 1.300 121.759 120.570 -0.185 0.000 2.440 161 I HA 0.474 4.644 4.170 -0.000 0.000 0.294 161 I C -0.628 175.322 176.117 -0.278 0.000 0.995 161 I CA -1.112 59.974 61.300 -0.357 0.000 1.306 161 I CB 1.188 38.817 38.000 -0.618 0.000 1.407 161 I HN -0.126 nan 8.210 nan 0.000 0.501 162 V N 5.475 125.187 119.914 -0.337 0.000 2.439 162 V HA 0.361 4.481 4.120 -0.000 0.000 0.277 162 V C -0.206 175.546 176.094 -0.571 0.000 1.008 162 V CA -0.568 61.413 62.300 -0.532 0.000 0.846 162 V CB 1.513 32.996 31.823 -0.566 0.000 1.031 162 V HN 0.677 nan 8.190 nan 0.000 0.441 163 E N 2.060 121.918 120.200 -0.570 0.000 2.316 163 E HA 0.695 5.045 4.350 -0.000 0.000 0.258 163 E C -1.095 175.141 176.600 -0.607 0.000 0.952 163 E CA -0.765 55.360 56.400 -0.458 0.000 0.818 163 E CB 1.897 31.506 29.700 -0.152 0.000 1.260 163 E HN 0.742 nan 8.360 nan 0.000 0.416 164 H N -0.977 118.056 119.070 -0.062 0.000 2.771 164 H HA 0.669 5.225 4.556 -0.000 0.000 0.367 164 H C -0.710 174.608 175.328 -0.016 0.000 1.172 164 H CA -0.777 55.279 56.048 0.013 0.000 1.186 164 H CB 0.961 30.752 29.762 0.048 0.000 1.790 164 H HN 0.069 nan 8.280 nan 0.000 0.556 165 L N 1.011 122.296 121.223 0.103 0.000 2.386 165 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 165 L C -0.048 176.800 176.870 -0.037 0.000 0.993 165 L CA -0.461 54.382 54.840 0.005 0.000 0.819 165 L CB 1.995 44.055 42.059 0.001 0.000 1.294 165 L HN 0.633 nan 8.230 nan 0.000 0.414 166 E N 0.618 120.777 120.200 -0.068 0.000 2.254 166 E HA 0.447 4.797 4.350 -0.000 0.000 0.258 166 E C -1.126 175.442 176.600 -0.052 0.000 1.033 166 E CA -0.483 55.892 56.400 -0.042 0.000 0.893 166 E CB 0.837 30.550 29.700 0.022 0.000 1.204 166 E HN 0.276 nan 8.360 nan 0.000 0.425 167 Y N 0.089 120.430 120.300 0.068 0.000 2.335 167 Y HA 0.068 4.618 4.550 -0.000 0.000 0.348 167 Y C -0.137 175.855 175.900 0.152 0.000 1.280 167 Y CA 0.409 58.611 58.100 0.170 0.000 1.504 167 Y CB 0.289 38.845 38.460 0.160 0.000 1.366 167 Y HN 0.396 nan 8.280 nan 0.000 0.621 168 Y N -0.411 120.036 120.300 0.245 0.000 2.334 168 Y HA 0.239 4.789 4.550 -0.000 0.000 0.328 168 Y C 0.592 176.564 175.900 0.121 0.000 1.130 168 Y CA -1.536 56.654 58.100 0.149 0.000 1.163 168 Y CB 0.755 39.282 38.460 0.112 0.000 1.207 168 Y HN 0.513 nan 8.280 nan 0.000 0.471 169 T N 1.476 116.168 114.554 0.230 0.000 2.919 169 T HA 0.091 4.441 4.350 -0.000 0.000 0.302 169 T C -1.606 173.170 174.700 0.128 0.000 1.031 169 T CA -1.636 60.550 62.100 0.143 0.000 1.127 169 T CB 1.258 70.184 68.868 0.096 0.000 0.952 169 T HN 0.473 nan 8.240 nan 0.000 0.540 170 P HA -0.206 nan 4.420 nan 0.000 0.218 170 P C 0.949 178.277 177.300 0.047 0.000 1.152 170 P CA 1.459 64.595 63.100 0.060 0.000 0.857 170 P CB 0.226 31.952 31.700 0.044 0.000 0.787 171 E N 0.322 120.552 120.200 0.050 0.000 2.028 171 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 171 E C 2.196 178.825 176.600 0.048 0.000 0.988 171 E CA 1.131 57.553 56.400 0.038 0.000 0.799 171 E CB -0.754 28.968 29.700 0.036 0.000 0.755 171 E HN 0.421 nan 8.360 nan 0.000 0.447 172 E N 0.425 120.678 120.200 0.088 0.000 2.097 172 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 172 E C 2.142 178.802 176.600 0.100 0.000 1.000 172 E CA 0.956 57.433 56.400 0.129 0.000 0.804 172 E CB -0.210 29.626 29.700 0.227 0.000 0.740 172 E HN 0.235 nan 8.360 nan 0.000 0.454 173 L N 0.530 121.800 121.223 0.077 0.000 1.994 173 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 173 L C 2.677 179.514 176.870 -0.055 0.000 1.071 173 L CA 1.040 55.873 54.840 -0.012 0.000 0.745 173 L CB -0.611 41.443 42.059 -0.009 0.000 0.892 173 L HN 0.141 nan 8.230 nan 0.000 0.431 174 A N -0.261 122.536 122.820 -0.038 0.000 1.859 174 A HA -0.345 3.975 4.320 -0.000 0.000 0.217 174 A C 2.238 179.770 177.584 -0.085 0.000 1.198 174 A CA 2.166 54.160 52.037 -0.072 0.000 0.629 174 A CB -0.929 18.047 19.000 -0.039 0.000 0.830 174 A HN 0.515 nan 8.150 nan 0.000 0.446 175 Q N -0.816 118.959 119.800 -0.042 0.000 2.242 175 Q HA -0.221 4.119 4.340 -0.000 0.000 0.211 175 Q C 1.868 177.830 176.000 -0.064 0.000 0.992 175 Q CA 2.084 57.866 55.803 -0.036 0.000 0.889 175 Q CB -0.494 28.245 28.738 0.002 0.000 0.913 175 Q HN 0.648 nan 8.270 nan 0.000 0.422 176 G N -0.814 107.940 108.800 -0.077 0.000 2.411 176 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.213 176 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.213 176 G C 1.371 176.166 174.900 -0.174 0.000 1.166 176 G CA 0.533 45.567 45.100 -0.110 0.000 0.802 176 G HN 0.269 nan 8.290 nan 0.000 0.533 177 V N 0.908 120.687 119.914 -0.225 0.000 2.332 177 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 177 V C 2.707 178.496 176.094 -0.508 0.000 1.055 177 V CA 2.310 64.359 62.300 -0.418 0.000 1.038 177 V CB -0.351 31.207 31.823 -0.442 0.000 0.651 177 V HN 0.421 nan 8.190 nan 0.000 0.450 178 M N -0.677 118.734 119.600 -0.315 0.000 2.193 178 M HA -0.106 4.374 4.480 -0.000 0.000 0.265 178 M C 2.391 178.600 176.300 -0.151 0.000 1.071 178 M CA 1.667 56.830 55.300 -0.230 0.000 1.140 178 M CB -0.184 32.334 32.600 -0.137 0.000 1.369 178 M HN 0.151 nan 8.290 nan 0.000 0.423 179 R N 0.085 120.512 120.500 -0.122 0.000 2.073 179 R HA -0.217 4.123 4.340 -0.000 0.000 0.234 179 R C 2.043 178.295 176.300 -0.080 0.000 1.134 179 R CA 2.203 58.254 56.100 -0.081 0.000 0.952 179 R CB -0.569 29.690 30.300 -0.068 0.000 0.850 179 R HN 0.487 nan 8.270 nan 0.000 0.433 180 D N -0.157 120.179 120.400 -0.107 0.000 2.149 180 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 180 D C 1.481 177.761 176.300 -0.033 0.000 0.972 180 D CA 1.214 55.171 54.000 -0.073 0.000 0.835 180 D CB 0.109 40.860 40.800 -0.082 0.000 0.966 180 D HN 0.375 nan 8.370 nan 0.000 0.476 181 A N 1.938 124.696 122.820 -0.104 0.000 1.822 181 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 181 A C 2.257 179.883 177.584 0.069 0.000 1.245 181 A CA 1.225 53.279 52.037 0.028 0.000 0.608 181 A CB -0.760 18.110 19.000 -0.217 0.000 0.896 181 A HN 0.097 nan 8.150 nan 0.000 0.457 182 R N -0.070 120.443 120.500 0.020 0.000 2.191 182 R HA -0.214 4.126 4.340 -0.000 0.000 0.248 182 R C 1.964 178.280 176.300 0.027 0.000 1.127 182 R CA 2.287 58.404 56.100 0.027 0.000 0.943 182 R CB -1.405 28.895 30.300 0.000 0.000 0.891 182 R HN 0.637 nan 8.270 nan 0.000 0.439 183 L N 0.606 121.836 121.223 0.011 0.000 2.456 183 L HA -0.150 4.190 4.340 -0.000 0.000 0.224 183 L C 2.159 179.041 176.870 0.020 0.000 1.148 183 L CA 0.259 55.104 54.840 0.009 0.000 0.825 183 L CB -0.292 41.765 42.059 -0.004 0.000 0.937 183 L HN 0.146 nan 8.230 nan 0.000 0.450 184 L N -0.634 120.613 121.223 0.041 0.000 2.477 184 L HA 0.268 4.608 4.340 -0.000 0.000 0.220 184 L C 1.282 178.181 176.870 0.048 0.000 1.106 184 L CA 1.362 56.231 54.840 0.050 0.000 0.851 184 L CB 0.319 42.428 42.059 0.084 0.000 0.994 184 L HN 0.204 nan 8.230 nan 0.000 0.462 185 G N -1.654 107.177 108.800 0.052 0.000 2.273 185 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.162 185 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.162 185 G C -0.183 174.747 174.900 0.049 0.000 1.006 185 G CA -0.055 45.069 45.100 0.040 0.000 0.704 185 G HN 0.153 nan 8.290 nan 0.000 0.487 186 V N 1.206 121.171 119.914 0.085 0.000 2.815 186 V HA 0.882 5.002 4.120 -0.000 0.000 0.314 186 V C 0.012 176.176 176.094 0.115 0.000 1.064 186 V CA -1.167 61.193 62.300 0.100 0.000 0.952 186 V CB 1.963 33.865 31.823 0.132 0.000 1.020 186 V HN 0.248 nan 8.190 nan 0.000 0.439 187 R N 2.770 123.327 120.500 0.095 0.000 2.562 187 R HA 0.721 5.061 4.340 -0.000 0.000 0.298 187 R C -1.523 174.835 176.300 0.096 0.000 0.961 187 R CA -0.721 55.426 56.100 0.079 0.000 0.881 187 R CB 1.583 31.912 30.300 0.048 0.000 1.159 187 R HN 0.831 nan 8.270 nan 0.000 0.450 188 I N 1.905 122.525 120.570 0.082 0.000 2.710 188 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 188 I C -0.147 175.993 176.117 0.039 0.000 1.318 188 I CA -0.378 60.972 61.300 0.085 0.000 1.045 188 I CB 2.277 40.372 38.000 0.158 0.000 1.307 188 I HN 0.753 nan 8.210 nan 0.000 0.424 189 T N 1.703 116.279 114.554 0.036 0.000 2.855 189 T HA 0.030 4.380 4.350 -0.000 0.000 0.322 189 T C 0.948 175.652 174.700 0.007 0.000 1.088 189 T CA 0.111 62.222 62.100 0.019 0.000 1.104 189 T CB 1.101 69.982 68.868 0.021 0.000 0.996 189 T HN 0.826 nan 8.240 nan 0.000 0.549 190 E N 0.698 120.897 120.200 -0.002 0.000 2.051 190 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 190 E C 1.866 178.463 176.600 -0.005 0.000 0.991 190 E CA 1.438 57.831 56.400 -0.012 0.000 0.799 190 E CB -0.098 29.596 29.700 -0.010 0.000 0.748 190 E HN 0.817 nan 8.360 nan 0.000 0.449 191 E N 0.728 120.931 120.200 0.005 0.000 2.114 191 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 191 E C 1.807 178.416 176.600 0.014 0.000 1.008 191 E CA 1.457 57.863 56.400 0.010 0.000 0.810 191 E CB -0.407 29.301 29.700 0.014 0.000 0.739 191 E HN 0.399 nan 8.360 nan 0.000 0.456 192 A N 1.261 124.094 122.820 0.021 0.000 1.835 192 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 192 A C 2.439 180.041 177.584 0.030 0.000 1.199 192 A CA 2.206 54.265 52.037 0.037 0.000 0.615 192 A CB -1.279 17.756 19.000 0.058 0.000 0.838 192 A HN 0.304 nan 8.150 nan 0.000 0.444 193 A N -0.383 122.437 122.820 0.001 0.000 1.869 193 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 193 A C 2.245 179.809 177.584 -0.034 0.000 1.203 193 A CA 1.888 53.892 52.037 -0.055 0.000 0.638 193 A CB -0.969 17.953 19.000 -0.130 0.000 0.831 193 A HN 0.839 nan 8.150 nan 0.000 0.450 194 L N -1.047 120.163 121.223 -0.022 0.000 2.349 194 L HA -0.179 4.161 4.340 -0.000 0.000 0.220 194 L C 2.151 179.025 176.870 0.006 0.000 1.130 194 L CA 2.073 56.909 54.840 -0.008 0.000 0.791 194 L CB -0.141 41.917 42.059 -0.002 0.000 0.918 194 L HN 0.496 nan 8.230 nan 0.000 0.444 195 E N -0.248 119.960 120.200 0.013 0.000 2.385 195 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 195 E C 1.828 178.442 176.600 0.024 0.000 1.013 195 E CA 0.700 57.112 56.400 0.020 0.000 0.866 195 E CB 0.014 29.728 29.700 0.023 0.000 0.832 195 E HN 0.615 nan 8.360 nan 0.000 0.500 196 I N -1.131 119.454 120.570 0.025 0.000 2.703 196 I HA 0.083 4.253 4.170 -0.000 0.000 0.259 196 I C 2.170 178.296 176.117 0.015 0.000 1.151 196 I CA 0.625 61.946 61.300 0.035 0.000 1.470 196 I CB -0.259 37.783 38.000 0.071 0.000 1.112 196 I HN 0.154 nan 8.210 nan 0.000 0.437 197 G N 1.432 110.233 108.800 0.002 0.000 2.484 197 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 197 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 197 G C 1.743 176.654 174.900 0.019 0.000 1.219 197 G CA 0.466 45.567 45.100 0.002 0.000 0.791 197 G HN 0.228 nan 8.290 nan 0.000 0.550 198 R N -0.183 120.332 120.500 0.024 0.000 2.113 198 R HA -0.100 4.240 4.340 -0.000 0.000 0.244 198 R C 2.723 179.045 176.300 0.038 0.000 1.142 198 R CA 1.411 57.531 56.100 0.033 0.000 0.953 198 R CB -0.294 30.024 30.300 0.030 0.000 0.860 198 R HN 0.147 nan 8.270 nan 0.000 0.438 199 R N 0.733 121.249 120.500 0.028 0.000 2.115 199 R HA 0.024 4.364 4.340 -0.000 0.000 0.230 199 R C 1.690 177.987 176.300 -0.005 0.000 1.111 199 R CA 0.490 56.603 56.100 0.021 0.000 0.976 199 R CB -0.702 29.606 30.300 0.013 0.000 0.870 199 R HN 0.137 nan 8.270 nan 0.000 0.445 200 S N 0.565 116.261 115.700 -0.007 0.000 2.647 200 S HA 0.031 4.501 4.470 -0.000 0.000 0.251 200 S C 0.499 175.072 174.600 -0.045 0.000 1.320 200 S CA 0.047 58.226 58.200 -0.034 0.000 0.968 200 S CB 0.494 63.684 63.200 -0.018 0.000 1.005 200 S HN 0.281 nan 8.310 nan 0.000 0.576 201 R N -0.081 120.392 120.500 -0.046 0.000 2.795 201 R HA 0.313 4.653 4.340 -0.000 0.000 0.320 201 R C 0.865 177.232 176.300 0.112 0.000 1.223 201 R CA 0.282 56.378 56.100 -0.007 0.000 1.305 201 R CB 0.231 30.390 30.300 -0.234 0.000 1.318 201 R HN 0.945 nan 8.270 nan 0.000 0.636 202 G N 0.647 109.531 108.800 0.139 0.000 2.220 202 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.269 202 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.269 202 G C 0.356 175.499 174.900 0.406 0.000 0.977 202 G CA 0.869 46.150 45.100 0.301 0.000 0.634 202 G HN 0.382 nan 8.290 nan 0.000 0.539 203 T N 0.587 115.268 114.554 0.212 0.000 2.799 203 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 203 T C 1.268 175.890 174.700 -0.130 0.000 0.973 203 T CA 0.268 62.419 62.100 0.085 0.000 1.035 203 T CB 1.538 70.457 68.868 0.085 0.000 0.932 203 T HN 0.188 nan 8.240 nan 0.000 0.469 204 M N 3.026 122.395 119.600 -0.385 0.000 2.193 204 M HA 0.138 4.618 4.480 -0.000 0.000 0.265 204 M C 2.297 178.466 176.300 -0.219 0.000 1.071 204 M CA 1.370 56.390 55.300 -0.466 0.000 1.140 204 M CB -0.374 31.750 32.600 -0.795 0.000 1.369 204 M HN 0.586 nan 8.290 nan 0.000 0.423 205 R N -0.738 119.672 120.500 -0.149 0.000 2.115 205 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 205 R C 1.825 178.097 176.300 -0.047 0.000 1.133 205 R CA 2.361 58.421 56.100 -0.066 0.000 0.935 205 R CB -0.800 29.486 30.300 -0.023 0.000 0.853 205 R HN 0.319 nan 8.270 nan 0.000 0.433 206 V N 0.971 120.859 119.914 -0.043 0.000 2.427 206 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 206 V C 2.457 178.534 176.094 -0.029 0.000 1.051 206 V CA 1.636 63.916 62.300 -0.034 0.000 1.048 206 V CB -0.450 31.345 31.823 -0.046 0.000 0.666 206 V HN 0.616 nan 8.190 nan 0.000 0.456 207 A N 0.226 123.015 122.820 -0.051 0.000 1.859 207 A HA -0.323 3.997 4.320 -0.000 0.000 0.217 207 A C 2.237 179.825 177.584 0.008 0.000 1.198 207 A CA 2.496 54.508 52.037 -0.042 0.000 0.629 207 A CB -0.516 18.425 19.000 -0.098 0.000 0.830 207 A HN 0.555 nan 8.150 nan 0.000 0.446 208 K N -1.400 118.998 120.400 -0.004 0.000 2.155 208 K HA -0.007 4.313 4.320 -0.000 0.000 0.203 208 K C 2.238 178.909 176.600 0.119 0.000 1.052 208 K CA 0.787 57.120 56.287 0.077 0.000 0.948 208 K CB -0.085 32.430 32.500 0.024 0.000 0.728 208 K HN 0.155 nan 8.250 nan 0.000 0.448 209 R N 0.950 121.479 120.500 0.049 0.000 2.235 209 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 209 R C 1.910 178.229 176.300 0.032 0.000 1.059 209 R CA 0.733 56.852 56.100 0.032 0.000 0.997 209 R CB -0.194 30.110 30.300 0.007 0.000 0.884 209 R HN 0.189 nan 8.270 nan 0.000 0.462 210 L N -0.650 120.605 121.223 0.053 0.000 2.121 210 L HA 0.023 4.363 4.340 -0.000 0.000 0.200 210 L C 1.950 178.869 176.870 0.081 0.000 1.077 210 L CA 1.254 56.120 54.840 0.043 0.000 0.766 210 L CB -0.960 41.120 42.059 0.035 0.000 0.931 210 L HN 0.025 nan 8.230 nan 0.000 0.452 211 F N 1.022 120.956 119.950 -0.027 0.000 2.214 211 F HA -0.314 4.213 4.527 -0.000 0.000 0.302 211 F C 2.618 178.414 175.800 -0.006 0.000 1.063 211 F CA 2.093 60.083 58.000 -0.017 0.000 1.319 211 F CB -0.395 38.594 39.000 -0.020 0.000 1.046 211 F HN 0.155 nan 8.300 nan 0.000 0.505 212 R N 0.195 120.638 120.500 -0.096 0.000 2.115 212 R HA -0.068 4.272 4.340 -0.000 0.000 0.230 212 R C 2.088 178.297 176.300 -0.151 0.000 1.111 212 R CA 1.241 57.233 56.100 -0.179 0.000 0.976 212 R CB -0.143 30.125 30.300 -0.053 0.000 0.870 212 R HN 0.279 nan 8.270 nan 0.000 0.445 213 R N -0.436 120.013 120.500 -0.086 0.000 2.310 213 R HA 0.066 4.406 4.340 -0.000 0.000 0.202 213 R C 1.448 177.715 176.300 -0.056 0.000 0.933 213 R CA 0.020 56.089 56.100 -0.051 0.000 1.054 213 R CB 0.592 30.869 30.300 -0.037 0.000 0.985 213 R HN 0.098 nan 8.270 nan 0.000 0.489 214 V N 0.888 120.738 119.914 -0.107 0.000 2.484 214 V HA -0.116 4.004 4.120 -0.000 0.000 0.236 214 V C 2.179 178.220 176.094 -0.089 0.000 1.062 214 V CA 0.970 63.226 62.300 -0.073 0.000 1.081 214 V CB -0.403 31.404 31.823 -0.027 0.000 0.751 214 V HN 0.288 nan 8.190 nan 0.000 0.484 215 R N 1.184 121.487 120.500 -0.328 0.000 2.316 215 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 215 R C 1.271 177.476 176.300 -0.159 0.000 1.137 215 R CA 2.129 58.035 56.100 -0.325 0.000 1.012 215 R CB -0.585 29.287 30.300 -0.714 0.000 0.859 215 R HN 0.581 nan 8.270 nan 0.000 0.474 216 D N -0.823 119.518 120.400 -0.098 0.000 2.360 216 D HA -0.005 4.635 4.640 -0.000 0.000 0.210 216 D C 0.970 177.305 176.300 0.057 0.000 1.047 216 D CA 0.002 53.983 54.000 -0.031 0.000 0.854 216 D CB 0.137 40.919 40.800 -0.030 0.000 0.936 216 D HN 0.286 nan 8.370 nan 0.000 0.514 217 F N -0.090 119.812 119.950 -0.080 0.000 2.490 217 F HA 0.408 4.935 4.527 -0.000 0.000 0.280 217 F C 1.921 177.696 175.800 -0.040 0.000 1.030 217 F CA 0.767 58.736 58.000 -0.051 0.000 1.367 217 F CB -0.055 38.920 39.000 -0.043 0.000 1.131 217 F HN -0.025 nan 8.300 nan 0.000 0.632 218 A N -0.168 122.799 122.820 0.246 0.000 1.861 218 A HA -0.096 4.224 4.320 -0.000 0.000 0.212 218 A C 1.884 179.479 177.584 0.018 0.000 1.199 218 A CA 1.028 53.154 52.037 0.149 0.000 0.613 218 A CB -0.939 18.167 19.000 0.177 0.000 0.846 218 A HN 0.465 nan 8.150 nan 0.000 0.446 219 Q N 0.259 120.065 119.800 0.010 0.000 2.476 219 Q HA 0.076 4.416 4.340 -0.000 0.000 0.215 219 Q C 1.192 177.172 176.000 -0.035 0.000 0.966 219 Q CA 0.516 56.313 55.803 -0.009 0.000 0.976 219 Q CB -0.302 28.430 28.738 -0.010 0.000 0.988 219 Q HN 0.429 nan 8.270 nan 0.000 0.526 220 V N -0.843 119.032 119.914 -0.064 0.000 2.488 220 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 220 V C 1.511 177.563 176.094 -0.069 0.000 1.046 220 V CA 1.802 64.052 62.300 -0.082 0.000 1.053 220 V CB 0.069 31.808 31.823 -0.139 0.000 0.679 220 V HN 0.557 nan 8.190 nan 0.000 0.458 221 A N -0.040 122.738 122.820 -0.069 0.000 1.922 221 A HA 0.463 4.783 4.320 -0.000 0.000 0.216 221 A C 1.601 179.167 177.584 -0.030 0.000 1.370 221 A CA 0.745 52.752 52.037 -0.051 0.000 0.627 221 A CB -1.200 17.767 19.000 -0.055 0.000 1.060 221 A HN 0.692 nan 8.150 nan 0.000 0.487 222 G N 0.016 108.804 108.800 -0.020 0.000 2.355 222 G HA2 0.425 4.385 3.960 -0.000 0.000 0.276 222 G HA3 0.425 4.385 3.960 -0.000 0.000 0.276 222 G C 0.270 175.168 174.900 -0.002 0.000 1.198 222 G CA 0.516 45.612 45.100 -0.007 0.000 0.876 222 G HN 0.600 nan 8.290 nan 0.000 0.478 223 E N 1.548 121.748 120.200 -0.000 0.000 2.206 223 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 223 E C 1.567 178.174 176.600 0.012 0.000 0.935 223 E CA 0.001 56.403 56.400 0.002 0.000 0.875 223 E CB 0.128 29.826 29.700 -0.003 0.000 0.841 223 E HN 0.340 nan 8.360 nan 0.000 0.477 224 E N 0.848 121.056 120.200 0.014 0.000 2.481 224 E HA 0.120 4.470 4.350 -0.000 0.000 0.195 224 E C -0.549 176.067 176.600 0.026 0.000 1.047 224 E CA 0.094 56.505 56.400 0.018 0.000 0.867 224 E CB 0.959 30.668 29.700 0.014 0.000 0.858 224 E HN 0.125 nan 8.360 nan 0.000 0.513 225 V N 0.453 120.385 119.914 0.029 0.000 3.012 225 V HA 0.411 4.531 4.120 -0.000 0.000 0.307 225 V C -1.527 174.596 176.094 0.047 0.000 1.166 225 V CA -0.795 61.527 62.300 0.037 0.000 0.974 225 V CB 2.155 33.996 31.823 0.030 0.000 1.040 225 V HN -0.076 nan 8.190 nan 0.000 0.428 226 I N 5.316 125.923 120.570 0.061 0.000 2.493 226 I HA 0.320 4.490 4.170 -0.000 0.000 0.279 226 I C 0.079 176.236 176.117 0.067 0.000 1.045 226 I CA -0.198 61.146 61.300 0.074 0.000 1.106 226 I CB 1.797 39.862 38.000 0.109 0.000 1.216 226 I HN 0.682 nan 8.210 nan 0.000 0.459 227 T N 3.746 118.331 114.554 0.053 0.000 2.862 227 T HA 0.323 4.673 4.350 -0.000 0.000 0.276 227 T C 1.451 176.178 174.700 0.045 0.000 0.974 227 T CA -0.177 61.949 62.100 0.043 0.000 0.966 227 T CB 1.440 70.328 68.868 0.033 0.000 1.072 227 T HN 0.596 nan 8.240 nan 0.000 0.538 228 R N 0.256 120.777 120.500 0.036 0.000 2.115 228 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 228 R C 2.307 178.627 176.300 0.032 0.000 1.133 228 R CA 2.538 58.658 56.100 0.033 0.000 0.935 228 R CB -0.405 29.910 30.300 0.024 0.000 0.853 228 R HN 0.762 nan 8.270 nan 0.000 0.433 229 E N -0.340 119.878 120.200 0.029 0.000 2.086 229 E HA -0.256 4.094 4.350 -0.000 0.000 0.200 229 E C 2.167 178.790 176.600 0.039 0.000 1.012 229 E CA 1.202 57.619 56.400 0.029 0.000 0.812 229 E CB -0.106 29.610 29.700 0.027 0.000 0.743 229 E HN 0.237 nan 8.360 nan 0.000 0.453 230 R N 0.456 120.985 120.500 0.048 0.000 2.096 230 R HA -0.147 4.193 4.340 -0.000 0.000 0.229 230 R C 2.425 178.764 176.300 0.066 0.000 1.134 230 R CA 1.451 57.590 56.100 0.065 0.000 0.917 230 R CB -1.232 29.108 30.300 0.067 0.000 0.832 230 R HN 0.233 nan 8.270 nan 0.000 0.430 231 A N 2.021 124.878 122.820 0.061 0.000 1.884 231 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 231 A C 2.344 179.937 177.584 0.014 0.000 1.197 231 A CA 1.426 53.494 52.037 0.052 0.000 0.637 231 A CB -0.693 18.348 19.000 0.069 0.000 0.827 231 A HN 0.158 nan 8.150 nan 0.000 0.450 232 L N -0.268 120.965 121.223 0.016 0.000 1.997 232 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 232 L C 2.528 179.384 176.870 -0.023 0.000 1.074 232 L CA 2.604 57.444 54.840 -0.000 0.000 0.763 232 L CB -1.460 40.605 42.059 0.010 0.000 0.890 232 L HN 0.711 nan 8.230 nan 0.000 0.434 233 E N -0.808 119.390 120.200 -0.004 0.000 2.085 233 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 233 E C 2.121 178.652 176.600 -0.116 0.000 0.994 233 E CA 1.341 57.737 56.400 -0.008 0.000 0.801 233 E CB 0.109 29.850 29.700 0.068 0.000 0.743 233 E HN 0.474 nan 8.360 nan 0.000 0.453 234 A N 1.302 124.041 122.820 -0.135 0.000 1.834 234 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 234 A C 2.239 179.609 177.584 -0.357 0.000 1.203 234 A CA 1.765 53.575 52.037 -0.377 0.000 0.621 234 A CB -1.098 17.816 19.000 -0.144 0.000 0.841 234 A HN 0.326 nan 8.150 nan 0.000 0.446 235 L N -0.676 120.443 121.223 -0.173 0.000 2.010 235 L HA -0.328 4.012 4.340 -0.000 0.000 0.219 235 L C 3.101 179.888 176.870 -0.138 0.000 1.077 235 L CA 1.578 56.344 54.840 -0.124 0.000 0.773 235 L CB -1.066 40.961 42.059 -0.053 0.000 0.892 235 L HN 0.510 nan 8.230 nan 0.000 0.436 236 A N 0.328 123.078 122.820 -0.118 0.000 1.863 236 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 236 A C 2.562 180.068 177.584 -0.131 0.000 1.233 236 A CA 2.729 54.709 52.037 -0.095 0.000 0.655 236 A CB -1.196 17.764 19.000 -0.067 0.000 0.839 236 A HN 0.462 nan 8.150 nan 0.000 0.454 237 A N -0.829 121.864 122.820 -0.211 0.000 1.948 237 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 237 A C 2.156 179.609 177.584 -0.217 0.000 1.177 237 A CA 1.803 53.701 52.037 -0.232 0.000 0.636 237 A CB -0.698 18.037 19.000 -0.442 0.000 0.815 237 A HN 0.529 nan 8.150 nan 0.000 0.449 238 L N -1.553 119.507 121.223 -0.271 0.000 2.275 238 L HA 0.091 4.431 4.340 -0.000 0.000 0.215 238 L C 1.555 178.370 176.870 -0.092 0.000 1.119 238 L CA 0.769 55.504 54.840 -0.176 0.000 0.790 238 L CB -0.294 41.656 42.059 -0.183 0.000 0.919 238 L HN 0.643 nan 8.230 nan 0.000 0.443 239 G N 0.434 109.186 108.800 -0.080 0.000 2.288 239 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.205 239 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.205 239 G C -0.360 174.525 174.900 -0.024 0.000 1.071 239 G CA -0.611 44.463 45.100 -0.042 0.000 0.788 239 G HN 0.130 nan 8.290 nan 0.000 0.491 240 L N 1.781 122.987 121.223 -0.028 0.000 2.316 240 L HA 0.428 4.768 4.340 -0.000 0.000 0.280 240 L C -0.027 176.854 176.870 0.019 0.000 1.006 240 L CA -1.194 53.644 54.840 -0.004 0.000 0.836 240 L CB 1.290 43.337 42.059 -0.019 0.000 1.221 240 L HN 0.372 nan 8.230 nan 0.000 0.418 241 D N 0.854 121.291 120.400 0.061 0.000 2.344 241 D HA 0.069 4.709 4.640 -0.000 0.000 0.244 241 D C 0.678 177.038 176.300 0.100 0.000 1.134 241 D CA -0.663 53.393 54.000 0.093 0.000 0.930 241 D CB 0.770 41.684 40.800 0.190 0.000 1.175 241 D HN 0.410 nan 8.370 nan 0.000 0.437 242 E N -0.029 120.230 120.200 0.098 0.000 2.501 242 E HA -0.053 4.297 4.350 -0.000 0.000 0.203 242 E C 0.874 177.527 176.600 0.088 0.000 1.072 242 E CA 0.283 56.731 56.400 0.080 0.000 0.885 242 E CB -0.388 29.354 29.700 0.070 0.000 0.813 242 E HN 0.335 nan 8.360 nan 0.000 0.556 243 L N -0.913 120.379 121.223 0.115 0.000 2.766 243 L HA 0.419 4.759 4.340 -0.000 0.000 0.242 243 L C 1.403 178.372 176.870 0.165 0.000 1.136 243 L CA 0.955 55.836 54.840 0.068 0.000 0.933 243 L CB 0.200 42.198 42.059 -0.101 0.000 1.241 243 L HN 0.260 nan 8.230 nan 0.000 0.522 244 G N -0.308 108.576 108.800 0.140 0.000 2.234 244 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 244 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 244 G C 0.185 175.126 174.900 0.070 0.000 0.987 244 G CA 0.374 45.533 45.100 0.098 0.000 0.625 244 G HN 0.216 nan 8.290 nan 0.000 0.532 245 L N 1.266 122.597 121.223 0.179 0.000 2.499 245 L HA 0.522 4.862 4.340 -0.000 0.000 0.273 245 L C 0.808 177.723 176.870 0.075 0.000 1.195 245 L CA 0.316 55.251 54.840 0.157 0.000 0.882 245 L CB 0.659 42.831 42.059 0.188 0.000 1.133 245 L HN 0.340 nan 8.230 nan 0.000 0.483 246 E N 2.676 122.905 120.200 0.049 0.000 2.345 246 E HA 0.116 4.466 4.350 -0.000 0.000 0.259 246 E C 0.877 177.490 176.600 0.020 0.000 1.117 246 E CA -0.413 56.001 56.400 0.024 0.000 0.913 246 E CB 0.782 30.501 29.700 0.031 0.000 1.057 246 E HN 0.437 nan 8.360 nan 0.000 0.432 247 K N 2.713 123.115 120.400 0.003 0.000 2.052 247 K HA -0.322 3.998 4.320 -0.000 0.000 0.215 247 K C 1.749 178.334 176.600 -0.024 0.000 1.053 247 K CA 1.883 58.166 56.287 -0.007 0.000 0.934 247 K CB -0.455 32.037 32.500 -0.012 0.000 0.717 247 K HN 0.327 nan 8.250 nan 0.000 0.450 248 R N 1.786 122.253 120.500 -0.054 0.000 2.080 248 R HA -0.116 4.224 4.340 -0.000 0.000 0.236 248 R C 2.023 178.227 176.300 -0.160 0.000 1.137 248 R CA 2.179 58.200 56.100 -0.132 0.000 0.943 248 R CB -0.730 29.434 30.300 -0.226 0.000 0.846 248 R HN 0.399 nan 8.270 nan 0.000 0.431 249 D N -0.056 120.269 120.400 -0.125 0.000 2.154 249 D HA -0.255 4.385 4.640 -0.000 0.000 0.190 249 D C 1.988 178.287 176.300 -0.002 0.000 1.003 249 D CA 1.697 55.672 54.000 -0.041 0.000 0.849 249 D CB -0.278 40.573 40.800 0.084 0.000 0.942 249 D HN 0.169 nan 8.370 nan 0.000 0.446 250 R N 0.780 121.296 120.500 0.027 0.000 2.115 250 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 250 R C 2.255 178.566 176.300 0.018 0.000 1.133 250 R CA 1.887 58.014 56.100 0.046 0.000 0.935 250 R CB -0.301 30.023 30.300 0.040 0.000 0.853 250 R HN 0.258 nan 8.270 nan 0.000 0.433 251 E N 0.049 120.244 120.200 -0.008 0.000 2.130 251 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 251 E C 1.880 178.474 176.600 -0.009 0.000 0.998 251 E CA 1.690 58.084 56.400 -0.010 0.000 0.806 251 E CB -0.121 29.563 29.700 -0.026 0.000 0.738 251 E HN 0.397 nan 8.360 nan 0.000 0.459 252 I N 0.709 121.260 120.570 -0.033 0.000 2.127 252 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 252 I C 2.478 178.594 176.117 -0.002 0.000 1.075 252 I CA 1.081 62.368 61.300 -0.021 0.000 1.334 252 I CB -0.368 37.607 38.000 -0.042 0.000 1.040 252 I HN 0.229 nan 8.210 nan 0.000 0.405 253 L N 0.290 121.511 121.223 -0.004 0.000 2.012 253 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 253 L C 2.620 179.466 176.870 -0.040 0.000 1.073 253 L CA 1.457 56.282 54.840 -0.025 0.000 0.748 253 L CB -0.673 41.383 42.059 -0.004 0.000 0.891 253 L HN 0.245 nan 8.230 nan 0.000 0.431 254 E N 0.374 120.574 120.200 -0.000 0.000 2.068 254 E HA -0.238 4.112 4.350 -0.000 0.000 0.207 254 E C 2.046 178.642 176.600 -0.007 0.000 1.032 254 E CA 2.219 58.628 56.400 0.015 0.000 0.839 254 E CB -0.328 29.395 29.700 0.039 0.000 0.758 254 E HN 0.196 nan 8.360 nan 0.000 0.457 255 V N 0.847 120.776 119.914 0.025 0.000 2.295 255 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 255 V C 2.527 178.706 176.094 0.142 0.000 1.049 255 V CA 1.860 64.201 62.300 0.068 0.000 1.024 255 V CB -0.588 31.309 31.823 0.123 0.000 0.648 255 V HN 0.377 nan 8.190 nan 0.000 0.447 256 L N -0.564 120.731 121.223 0.119 0.000 1.971 256 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 256 L C 2.412 179.320 176.870 0.064 0.000 1.072 256 L CA 2.213 57.130 54.840 0.128 0.000 0.758 256 L CB -0.322 41.734 42.059 -0.005 0.000 0.889 256 L HN 0.275 nan 8.230 nan 0.000 0.433 257 I N -0.593 119.907 120.570 -0.118 0.000 2.163 257 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 257 I C 2.309 178.339 176.117 -0.145 0.000 1.085 257 I CA 1.495 62.630 61.300 -0.276 0.000 1.347 257 I CB -0.100 37.562 38.000 -0.563 0.000 1.044 257 I HN 0.304 nan 8.210 nan 0.000 0.408 258 L N -0.747 120.397 121.223 -0.132 0.000 2.185 258 L HA -0.019 4.321 4.340 -0.000 0.000 0.198 258 L C 2.647 179.448 176.870 -0.115 0.000 1.079 258 L CA 0.454 55.221 54.840 -0.122 0.000 0.780 258 L CB -0.612 41.380 42.059 -0.111 0.000 0.955 258 L HN -0.004 nan 8.230 nan 0.000 0.462 259 R N 0.677 121.089 120.500 -0.147 0.000 2.094 259 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 259 R C 1.487 177.442 176.300 -0.576 0.000 1.137 259 R CA 2.063 57.921 56.100 -0.403 0.000 0.943 259 R CB -0.407 29.571 30.300 -0.536 0.000 0.850 259 R HN 0.277 nan 8.270 nan 0.000 0.433 260 F N -1.311 118.623 119.950 -0.027 0.000 2.654 260 F HA 0.387 4.914 4.527 -0.000 0.000 0.303 260 F C 1.372 177.170 175.800 -0.004 0.000 1.099 260 F CA 0.130 58.122 58.000 -0.014 0.000 1.270 260 F CB 0.567 39.561 39.000 -0.012 0.000 1.024 260 F HN 0.254 nan 8.300 nan 0.000 0.548 261 G N 0.539 109.405 108.800 0.110 0.000 2.187 261 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.261 261 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.261 261 G C 1.480 176.483 174.900 0.171 0.000 1.000 261 G CA 0.432 45.596 45.100 0.106 0.000 0.718 261 G HN 1.158 nan 8.290 nan 0.000 0.519 262 G N -1.106 107.787 108.800 0.154 0.000 2.507 262 G HA2 0.071 4.031 3.960 -0.000 0.000 0.240 262 G HA3 0.071 4.031 3.960 -0.000 0.000 0.240 262 G C 1.893 176.861 174.900 0.113 0.000 1.119 262 G CA 1.153 46.330 45.100 0.127 0.000 0.664 262 G HN 2.290 nan 8.290 nan 0.000 0.516 263 G N 1.658 110.531 108.800 0.121 0.000 2.583 263 G HA2 0.372 4.332 3.960 -0.000 0.000 0.230 263 G HA3 0.372 4.332 3.960 -0.000 0.000 0.230 263 G C -1.458 173.474 174.900 0.053 0.000 1.249 263 G CA 0.339 45.488 45.100 0.082 0.000 0.857 263 G HN 0.459 nan 8.290 nan 0.000 0.569 264 P HA -0.060 nan 4.420 nan 0.000 0.260 264 P C 0.624 177.901 177.300 -0.038 0.000 1.147 264 P CA 0.085 63.179 63.100 -0.009 0.000 0.758 264 P CB 0.544 32.243 31.700 -0.002 0.000 0.744 265 V N 2.753 122.598 119.914 -0.114 0.000 2.840 265 V HA 0.457 4.577 4.120 -0.000 0.000 0.234 265 V C 0.869 176.831 176.094 -0.221 0.000 1.159 265 V CA 1.107 63.256 62.300 -0.251 0.000 1.194 265 V CB -0.573 30.930 31.823 -0.533 0.000 0.971 265 V HN 0.896 nan 8.190 nan 0.000 0.494 266 G N 0.411 109.102 108.800 -0.181 0.000 3.444 266 G HA2 -0.089 3.872 3.960 -0.000 0.000 0.685 266 G HA3 -0.089 3.872 3.960 -0.000 0.000 0.685 266 G C -0.116 174.696 174.900 -0.147 0.000 1.145 266 G CA -0.054 44.970 45.100 -0.127 0.000 0.973 266 G HN 0.300 nan 8.290 nan 0.000 0.525 267 L N 2.807 123.971 121.223 -0.099 0.000 2.089 267 L HA 0.068 4.408 4.340 -0.000 0.000 0.213 267 L C 2.969 179.794 176.870 -0.076 0.000 1.079 267 L CA 3.629 58.420 54.840 -0.082 0.000 0.758 267 L CB -0.763 41.269 42.059 -0.045 0.000 0.891 267 L HN 1.719 nan 8.230 nan 0.000 0.433 268 A N -0.588 122.195 122.820 -0.061 0.000 2.200 268 A HA -0.403 3.917 4.320 -0.000 0.000 0.210 268 A C 2.262 179.823 177.584 -0.040 0.000 1.266 268 A CA 3.688 55.702 52.037 -0.039 0.000 0.839 268 A CB -1.799 17.183 19.000 -0.031 0.000 0.813 268 A HN 0.632 nan 8.150 nan 0.000 0.520 269 T N -1.899 112.626 114.554 -0.048 0.000 3.025 269 T HA -0.048 4.302 4.350 -0.000 0.000 0.270 269 T C 1.552 176.227 174.700 -0.043 0.000 1.126 269 T CA 1.416 63.513 62.100 -0.006 0.000 1.105 269 T CB -0.359 68.538 68.868 0.049 0.000 0.884 269 T HN 0.348 nan 8.240 nan 0.000 0.522 270 L N 1.659 122.763 121.223 -0.199 0.000 2.007 270 L HA 0.340 4.680 4.340 -0.000 0.000 0.205 270 L C 2.858 179.714 176.870 -0.024 0.000 1.073 270 L CA 1.803 56.501 54.840 -0.236 0.000 0.744 270 L CB -1.299 40.586 42.059 -0.290 0.000 0.898 270 L HN 0.240 nan 8.230 nan 0.000 0.435 271 A N -1.029 121.776 122.820 -0.024 0.000 1.892 271 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 271 A C 2.195 179.802 177.584 0.038 0.000 1.188 271 A CA 2.665 54.712 52.037 0.015 0.000 0.631 271 A CB -1.456 17.551 19.000 0.011 0.000 0.822 271 A HN 0.576 nan 8.150 nan 0.000 0.447 272 T N 0.566 115.144 114.554 0.039 0.000 2.529 272 T HA -0.145 4.205 4.350 -0.000 0.000 0.261 272 T C 2.231 176.979 174.700 0.081 0.000 1.110 272 T CA 2.322 64.455 62.100 0.055 0.000 1.192 272 T CB -0.861 68.041 68.868 0.056 0.000 0.864 272 T HN 0.690 nan 8.240 nan 0.000 0.407 273 A N 0.903 123.805 122.820 0.137 0.000 1.978 273 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 273 A C 2.138 179.798 177.584 0.126 0.000 1.170 273 A CA 1.229 53.358 52.037 0.153 0.000 0.636 273 A CB -0.810 18.352 19.000 0.270 0.000 0.810 273 A HN 0.402 nan 8.150 nan 0.000 0.448 274 L N -0.161 121.144 121.223 0.137 0.000 2.622 274 L HA 0.127 4.467 4.340 -0.000 0.000 0.233 274 L C 0.970 177.873 176.870 0.054 0.000 1.156 274 L CA 0.982 55.878 54.840 0.093 0.000 0.866 274 L CB -1.035 41.070 42.059 0.076 0.000 0.980 274 L HN 0.400 nan 8.230 nan 0.000 0.448 275 S N 0.545 116.278 115.700 0.054 0.000 3.341 275 S HA -0.212 4.258 4.470 -0.000 0.000 0.414 275 S C 0.066 174.688 174.600 0.036 0.000 0.869 275 S CA 1.132 59.356 58.200 0.039 0.000 1.349 275 S CB -0.933 62.285 63.200 0.030 0.000 0.938 275 S HN 0.781 nan 8.310 nan 0.000 0.615 276 E N 1.147 121.370 120.200 0.039 0.000 2.432 276 E HA 0.508 4.858 4.350 -0.000 0.000 0.279 276 E C -1.542 175.084 176.600 0.043 0.000 1.099 276 E CA -0.566 55.861 56.400 0.045 0.000 0.859 276 E CB 0.869 30.601 29.700 0.054 0.000 1.402 276 E HN 0.278 nan 8.360 nan 0.000 0.451 277 D N 2.048 122.476 120.400 0.048 0.000 2.295 277 D HA 0.272 4.912 4.640 -0.000 0.000 0.248 277 D C -1.573 174.749 176.300 0.037 0.000 1.154 277 D CA -2.072 51.950 54.000 0.037 0.000 0.857 277 D CB 1.459 42.279 40.800 0.033 0.000 1.117 277 D HN 0.165 nan 8.370 nan 0.000 0.468 278 P HA -0.191 nan 4.420 nan 0.000 0.215 278 P C 1.395 178.706 177.300 0.018 0.000 1.163 278 P CA 1.719 64.829 63.100 0.017 0.000 0.894 278 P CB -0.069 31.634 31.700 0.006 0.000 0.791 279 G N -0.696 108.112 108.800 0.014 0.000 2.476 279 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 279 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 279 G C 1.617 176.523 174.900 0.011 0.000 1.164 279 G CA 1.955 47.060 45.100 0.010 0.000 0.768 279 G HN 0.216 nan 8.290 nan 0.000 0.560 280 T N 1.122 115.688 114.554 0.019 0.000 2.607 280 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 280 T C 2.221 176.944 174.700 0.039 0.000 1.049 280 T CA 1.345 63.455 62.100 0.016 0.000 1.162 280 T CB -0.413 68.486 68.868 0.052 0.000 0.863 280 T HN 0.118 nan 8.240 nan 0.000 0.424 281 L N 1.357 122.640 121.223 0.100 0.000 1.963 281 L HA -0.151 4.189 4.340 -0.000 0.000 0.220 281 L C 2.487 179.409 176.870 0.086 0.000 1.076 281 L CA 2.176 57.104 54.840 0.146 0.000 0.772 281 L CB -0.845 41.266 42.059 0.086 0.000 0.892 281 L HN 0.340 nan 8.230 nan 0.000 0.435 282 E N -1.354 118.871 120.200 0.041 0.000 2.110 282 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 282 E C 1.809 178.416 176.600 0.011 0.000 0.988 282 E CA 1.272 57.685 56.400 0.022 0.000 0.804 282 E CB 0.067 29.771 29.700 0.008 0.000 0.745 282 E HN 0.545 nan 8.360 nan 0.000 0.458 283 E N -0.485 119.713 120.200 -0.003 0.000 2.276 283 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 283 E C 1.940 178.510 176.600 -0.050 0.000 0.983 283 E CA 0.521 56.911 56.400 -0.018 0.000 0.861 283 E CB 0.862 30.552 29.700 -0.017 0.000 0.817 283 E HN 0.210 nan 8.360 nan 0.000 0.485 284 V N 0.015 119.861 119.914 -0.112 0.000 2.806 284 V HA 0.007 4.127 4.120 -0.000 0.000 0.239 284 V C 1.914 177.833 176.094 -0.291 0.000 1.113 284 V CA 0.606 62.756 62.300 -0.249 0.000 1.137 284 V CB -0.248 31.303 31.823 -0.453 0.000 0.865 284 V HN 0.172 nan 8.190 nan 0.000 0.482 285 H N 0.691 119.784 119.070 0.038 0.000 2.361 285 H HA 0.142 4.698 4.556 -0.000 0.000 0.308 285 H C 2.235 177.602 175.328 0.066 0.000 1.053 285 H CA 1.193 57.272 56.048 0.052 0.000 1.377 285 H CB -0.023 29.763 29.762 0.040 0.000 1.434 285 H HN 0.446 nan 8.280 nan 0.000 0.548 286 E N 0.704 121.001 120.200 0.161 0.000 2.136 286 E HA -0.196 4.154 4.350 -0.000 0.000 0.208 286 E C -0.665 175.984 176.600 0.081 0.000 1.035 286 E CA 1.424 57.880 56.400 0.094 0.000 0.838 286 E CB -1.254 28.478 29.700 0.054 0.000 0.748 286 E HN 0.377 nan 8.360 nan 0.000 0.459 287 P HA -0.242 nan 4.420 nan 0.000 0.205 287 P C 1.282 178.649 177.300 0.112 0.000 1.046 287 P CA 1.433 64.585 63.100 0.086 0.000 0.968 287 P CB -0.344 31.411 31.700 0.092 0.000 0.753 288 Y N -0.139 120.172 120.300 0.019 0.000 2.173 288 Y HA -0.254 4.296 4.550 0.000 0.000 0.282 288 Y C 2.168 178.061 175.900 -0.011 0.000 1.192 288 Y CA 1.487 59.587 58.100 -0.000 0.000 1.176 288 Y CB -1.171 37.295 38.460 0.009 0.000 0.969 288 Y HN -0.139 nan 8.280 nan 0.000 0.519 289 L N -0.731 120.531 121.223 0.065 0.000 2.017 289 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 289 L C 2.368 179.184 176.870 -0.090 0.000 1.073 289 L CA 1.769 56.594 54.840 -0.025 0.000 0.745 289 L CB -0.592 41.492 42.059 0.042 0.000 0.894 289 L HN 0.258 nan 8.230 nan 0.000 0.432 290 I N -0.961 119.579 120.570 -0.050 0.000 2.252 290 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 290 I C 2.783 178.841 176.117 -0.099 0.000 1.102 290 I CA 1.011 62.277 61.300 -0.056 0.000 1.385 290 I CB -0.471 37.516 38.000 -0.023 0.000 1.064 290 I HN 0.236 nan 8.210 nan 0.000 0.414 291 R N 0.819 121.243 120.500 -0.127 0.000 2.096 291 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 291 R C 1.907 178.040 176.300 -0.279 0.000 1.127 291 R CA 1.218 57.212 56.100 -0.177 0.000 0.968 291 R CB 0.019 30.213 30.300 -0.177 0.000 0.861 291 R HN 0.352 nan 8.270 nan 0.000 0.440 292 Q N -0.544 119.014 119.800 -0.405 0.000 2.415 292 Q HA 0.053 4.393 4.340 -0.000 0.000 0.206 292 Q C 0.486 176.344 176.000 -0.236 0.000 0.946 292 Q CA 0.732 56.289 55.803 -0.410 0.000 0.951 292 Q CB 0.740 29.127 28.738 -0.586 0.000 1.026 292 Q HN 0.603 nan 8.270 nan 0.000 0.510 293 G N 1.225 109.925 108.800 -0.167 0.000 2.273 293 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 293 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 293 G C 0.571 175.425 174.900 -0.078 0.000 1.047 293 G CA 0.653 45.693 45.100 -0.100 0.000 0.869 293 G HN 0.421 nan 8.290 nan 0.000 0.502 294 L N -2.004 119.167 121.223 -0.086 0.000 2.467 294 L HA 0.490 4.830 4.340 -0.000 0.000 0.213 294 L C 1.257 178.110 176.870 -0.030 0.000 1.053 294 L CA 0.047 54.855 54.840 -0.053 0.000 0.847 294 L CB 0.037 42.055 42.059 -0.068 0.000 1.075 294 L HN 0.329 nan 8.230 nan 0.000 0.479 295 L N 0.122 121.325 121.223 -0.033 0.000 2.322 295 L HA 0.608 4.948 4.340 -0.000 0.000 0.269 295 L C -0.747 176.112 176.870 -0.019 0.000 1.012 295 L CA -0.319 54.508 54.840 -0.021 0.000 0.815 295 L CB 1.569 43.620 42.059 -0.014 0.000 1.295 295 L HN -0.142 nan 8.230 nan 0.000 0.438 296 K N 1.612 122.004 120.400 -0.013 0.000 2.535 296 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 296 K C -1.394 175.198 176.600 -0.014 0.000 0.942 296 K CA -0.373 55.907 56.287 -0.011 0.000 0.798 296 K CB 1.459 33.957 32.500 -0.004 0.000 1.267 296 K HN 0.604 nan 8.250 nan 0.000 0.434 297 R N 1.522 122.014 120.500 -0.014 0.000 2.297 297 R HA 0.502 4.842 4.340 -0.000 0.000 0.308 297 R C -0.566 175.725 176.300 -0.014 0.000 1.029 297 R CA -0.366 55.723 56.100 -0.017 0.000 0.929 297 R CB 1.427 31.718 30.300 -0.015 0.000 1.046 297 R HN 0.828 nan 8.270 nan 0.000 0.461 298 T N -1.004 113.540 114.554 -0.017 0.000 2.903 298 T HA 0.344 4.694 4.350 -0.000 0.000 0.299 298 T C -1.937 172.754 174.700 -0.014 0.000 1.093 298 T CA -1.832 60.260 62.100 -0.013 0.000 1.002 298 T CB 1.985 70.847 68.868 -0.009 0.000 1.127 298 T HN 0.329 nan 8.240 nan 0.000 0.488 299 P HA -0.135 nan 4.420 nan 0.000 0.220 299 P C 0.973 178.265 177.300 -0.012 0.000 1.144 299 P CA 0.974 64.067 63.100 -0.011 0.000 0.800 299 P CB 0.191 31.887 31.700 -0.008 0.000 0.772 300 R N -0.798 119.695 120.500 -0.012 0.000 2.210 300 R HA 0.331 4.671 4.340 -0.000 0.000 0.203 300 R C 1.299 177.586 176.300 -0.023 0.000 1.010 300 R CA 0.797 56.889 56.100 -0.012 0.000 1.008 300 R CB 0.119 30.416 30.300 -0.005 0.000 0.923 300 R HN 0.276 nan 8.270 nan 0.000 0.469 301 G N 0.643 109.425 108.800 -0.030 0.000 2.369 301 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.295 301 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.295 301 G C -1.591 173.277 174.900 -0.055 0.000 1.298 301 G CA -1.149 43.920 45.100 -0.052 0.000 0.940 301 G HN -0.038 nan 8.290 nan 0.000 0.536 302 R N -0.802 119.647 120.500 -0.084 0.000 2.543 302 R HA 0.585 4.925 4.340 -0.000 0.000 0.277 302 R C 0.564 176.829 176.300 -0.059 0.000 1.074 302 R CA 0.491 56.547 56.100 -0.074 0.000 1.076 302 R CB 1.036 31.274 30.300 -0.103 0.000 0.993 302 R HN 1.620 nan 8.270 nan 0.000 0.459 303 V N 0.600 120.497 119.914 -0.029 0.000 3.114 303 V HA 0.828 4.948 4.120 -0.000 0.000 0.308 303 V C -2.738 173.358 176.094 0.003 0.000 1.168 303 V CA -2.414 59.885 62.300 -0.001 0.000 1.015 303 V CB 2.885 34.721 31.823 0.021 0.000 1.050 303 V HN 0.744 nan 8.190 nan 0.000 0.433 304 P HA 0.316 nan 4.420 nan 0.000 0.303 304 P C -0.114 177.236 177.300 0.084 0.000 1.350 304 P CA -0.018 63.082 63.100 -0.000 0.000 0.880 304 P CB 1.789 33.414 31.700 -0.125 0.000 1.018 305 T N 1.391 115.982 114.554 0.061 0.000 2.724 305 T HA -0.023 4.327 4.350 -0.000 0.000 0.324 305 T C 1.511 176.322 174.700 0.185 0.000 1.071 305 T CA 0.257 62.410 62.100 0.088 0.000 1.061 305 T CB 0.044 68.936 68.868 0.039 0.000 0.990 305 T HN 0.377 nan 8.240 nan 0.000 0.543 306 E N 0.725 121.020 120.200 0.160 0.000 2.017 306 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 306 E C 2.133 178.859 176.600 0.210 0.000 0.997 306 E CA 1.035 57.553 56.400 0.196 0.000 0.804 306 E CB -0.273 29.480 29.700 0.089 0.000 0.757 306 E HN 0.535 nan 8.360 nan 0.000 0.448 307 L N 1.110 122.405 121.223 0.120 0.000 2.171 307 L HA -0.302 4.038 4.340 -0.000 0.000 0.216 307 L C 2.126 179.076 176.870 0.133 0.000 1.084 307 L CA 1.980 56.879 54.840 0.097 0.000 0.771 307 L CB -0.455 41.621 42.059 0.027 0.000 0.890 307 L HN 0.092 nan 8.230 nan 0.000 0.437 308 A N -1.496 121.397 122.820 0.122 0.000 1.845 308 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 308 A C 2.088 179.759 177.584 0.145 0.000 1.195 308 A CA 1.853 53.941 52.037 0.086 0.000 0.616 308 A CB -1.183 17.799 19.000 -0.030 0.000 0.832 308 A HN 0.480 nan 8.150 nan 0.000 0.443 309 Y N -0.464 119.918 120.300 0.137 0.000 2.114 309 Y HA -0.251 4.299 4.550 0.000 0.000 0.282 309 Y C 2.665 178.684 175.900 0.198 0.000 1.165 309 Y CA 2.233 60.449 58.100 0.193 0.000 1.148 309 Y CB -0.322 38.215 38.460 0.128 0.000 0.972 309 Y HN 0.282 nan 8.280 nan 0.000 0.504 310 R N -1.116 119.573 120.500 0.315 0.000 2.120 310 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 310 R C 2.048 178.453 176.300 0.175 0.000 1.123 310 R CA 1.563 57.783 56.100 0.200 0.000 0.975 310 R CB -0.303 30.086 30.300 0.148 0.000 0.866 310 R HN 0.411 nan 8.270 nan 0.000 0.446 311 H N 0.169 119.288 119.070 0.081 0.000 2.307 311 H HA 0.047 4.603 4.556 -0.000 0.000 0.303 311 H C 1.174 176.516 175.328 0.024 0.000 1.073 311 H CA 1.419 57.492 56.048 0.040 0.000 1.338 311 H CB -0.079 29.702 29.762 0.031 0.000 1.389 311 H HN 0.108 nan 8.280 nan 0.000 0.503 312 L N 0.604 121.847 121.223 0.034 0.000 2.762 312 L HA 0.103 4.443 4.340 -0.000 0.000 0.250 312 L C 1.019 177.750 176.870 -0.232 0.000 1.160 312 L CA 0.403 55.204 54.840 -0.064 0.000 0.951 312 L CB -0.767 41.388 42.059 0.160 0.000 1.148 312 L HN 0.618 nan 8.230 nan 0.000 0.424 313 G N -0.752 107.942 108.800 -0.176 0.000 2.356 313 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.296 313 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.296 313 G C -0.223 174.488 174.900 -0.315 0.000 1.022 313 G CA 0.142 45.109 45.100 -0.223 0.000 0.961 313 G HN 0.332 nan 8.290 nan 0.000 0.510 314 Y N -0.793 119.558 120.300 0.085 0.000 2.654 314 Y HA 0.616 5.166 4.550 -0.000 0.000 0.327 314 Y C -2.064 173.900 175.900 0.106 0.000 1.122 314 Y CA -2.630 55.544 58.100 0.124 0.000 1.227 314 Y CB 1.546 40.156 38.460 0.250 0.000 1.370 314 Y HN -0.008 nan 8.280 nan 0.000 0.528 315 P HA 0.236 nan 4.420 nan 0.000 0.291 315 P C -2.650 174.660 177.300 0.016 0.000 1.378 315 P CA -1.550 61.617 63.100 0.111 0.000 0.853 315 P CB 0.438 32.181 31.700 0.072 0.000 1.002 316 P HA -0.021 nan 4.420 nan 0.000 0.256 316 P C -2.136 175.023 177.300 -0.236 0.000 1.173 316 P CA -0.655 62.368 63.100 -0.128 0.000 0.768 316 P CB -0.562 31.131 31.700 -0.012 0.000 0.758 317 P HA -0.114 nan 4.420 nan 0.000 0.266 317 P C -0.842 176.353 177.300 -0.176 0.000 1.195 317 P CA 0.063 62.970 63.100 -0.322 0.000 0.768 317 P CB 0.547 31.978 31.700 -0.449 0.000 0.838 318 V N 0.000 119.846 119.914 -0.113 0.000 2.409 318 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 318 V CA 0.000 62.258 62.300 -0.069 0.000 1.235 318 V CB 0.000 31.788 31.823 -0.058 0.000 1.184 318 V HN 0.000 nan 8.190 nan 0.000 0.556