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 2h5l_1_C DATA FIRST_RESID 2 DATA SEQUENCE DKLPYKVADI GLAAWGRKAL DIAENEMPGL MRMREMYSAS KPLKGARIAG DATA SEQUENCE CLHMTVETAV LIETLVALGA EVRWSSCNIF STQDHAAAAI AKAGIPVFAW DATA SEQUENCE KGETDEEYLW CIEQTLHFKD GPLNMILDDG GDLTNLIHTK HPQLLSGIRG DATA SEQUENCE ISEETTTGVH NLYKMMANGI LKVPAINVND SVTKSKFDNL YGCRESLIDG DATA SEQUENCE IKRATDVMIA GKVAVVAGYG DVGKGCAQAL RGFGARVIIT EIDPINALQA DATA SEQUENCE AMEGYEVTTM DEACKEGNIF VTTTGCVDII LGRHFEQMKD DAIVCNIGHF DATA SEQUENCE DVEIDVKWLN ENAVEKVNIK PQVDRYLLKN GHRIILLAEG RLVNLGCAMG DATA SEQUENCE HPSFVMSNSF TNQVMAQIEL WTHPDKYPVG VHFLPKKLDE AVAEAHLGKL DATA SEQUENCE NVKLTKLTEK QAQYLGMPIN GPFKPDHYRY 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.321 176.300 0.036 0.000 2.045 2 D CA 0.000 54.004 54.000 0.007 0.000 0.868 2 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 3 K N 0.676 121.103 120.400 0.045 0.000 2.233 3 K HA 0.442 4.763 4.320 0.002 0.000 0.239 3 K C -0.091 176.596 176.600 0.145 0.000 1.064 3 K CA -0.441 55.915 56.287 0.115 0.000 0.884 3 K CB -0.068 32.504 32.500 0.119 0.000 1.166 3 K HN 0.184 nan 8.250 nan 0.000 0.512 4 L N 0.271 121.629 121.223 0.225 0.000 2.472 4 L HA 0.079 4.420 4.340 0.002 0.000 0.273 4 L C -1.413 175.575 176.870 0.196 0.000 1.254 4 L CA -0.448 54.490 54.840 0.163 0.000 0.823 4 L CB -0.862 41.290 42.059 0.155 0.000 1.096 4 L HN 0.557 nan 8.230 nan 0.000 0.521 5 P HA 0.023 nan 4.420 nan 0.000 0.230 5 P C -0.663 176.654 177.300 0.029 0.000 1.168 5 P CA 1.085 64.237 63.100 0.087 0.000 0.793 5 P CB 0.137 31.873 31.700 0.060 0.000 0.851 6 Y N -1.833 118.313 120.300 -0.256 0.000 2.851 6 Y HA 0.605 5.156 4.550 0.002 0.000 0.359 6 Y C -2.061 173.628 175.900 -0.351 0.000 1.231 6 Y CA -2.126 55.464 58.100 -0.850 0.000 1.106 6 Y CB 0.175 38.319 38.460 -0.526 0.000 1.409 6 Y HN -0.166 nan 8.280 nan 0.000 0.454 7 K N 0.949 121.352 120.400 0.004 0.000 2.575 7 K HA 0.698 5.019 4.320 0.002 0.000 0.255 7 K C -1.787 175.038 176.600 0.375 0.000 0.953 7 K CA -0.204 56.212 56.287 0.216 0.000 0.840 7 K CB 2.066 34.754 32.500 0.313 0.000 1.303 7 K HN 1.431 nan 8.250 nan 0.000 0.438 8 V N -1.242 118.864 119.914 0.322 0.000 3.105 8 V HA 0.877 4.998 4.120 0.002 0.000 0.311 8 V C 0.741 176.918 176.094 0.138 0.000 1.287 8 V CA -0.274 62.205 62.300 0.297 0.000 1.066 8 V CB 1.324 33.270 31.823 0.204 0.000 1.105 8 V HN 0.821 nan 8.190 nan 0.000 0.462 9 A N -0.186 122.734 122.820 0.167 0.000 1.898 9 A HA 0.275 4.596 4.320 0.002 0.000 0.214 9 A C 0.778 178.381 177.584 0.031 0.000 1.183 9 A CA 1.920 53.981 52.037 0.040 0.000 0.622 9 A CB -0.470 18.622 19.000 0.154 0.000 0.824 9 A HN 1.185 nan 8.150 nan 0.000 0.444 10 D N -2.196 118.254 120.400 0.082 0.000 2.688 10 D HA 0.172 4.813 4.640 0.002 0.000 0.210 10 D C -0.338 176.014 176.300 0.087 0.000 1.333 10 D CA -0.517 53.528 54.000 0.075 0.000 0.920 10 D CB 0.477 41.322 40.800 0.076 0.000 1.554 10 D HN -0.018 nan 8.370 nan 0.000 0.579 11 I N 2.728 123.350 120.570 0.085 0.000 3.444 11 I HA 0.200 4.371 4.170 0.002 0.000 0.287 11 I C 1.841 177.992 176.117 0.057 0.000 1.302 11 I CA 0.877 62.212 61.300 0.059 0.000 1.368 11 I CB 0.277 38.325 38.000 0.080 0.000 1.048 11 I HN 0.553 nan 8.210 nan 0.000 0.487 12 G N -0.007 108.837 108.800 0.073 0.000 2.744 12 G HA2 -0.096 3.865 3.960 0.002 0.000 0.211 12 G HA3 -0.096 3.865 3.960 0.002 0.000 0.211 12 G C 1.236 176.206 174.900 0.116 0.000 1.143 12 G CA 0.083 45.230 45.100 0.078 0.000 0.788 12 G HN 0.280 nan 8.290 nan 0.000 0.534 13 L N 0.826 122.132 121.223 0.140 0.000 2.509 13 L HA 0.343 4.684 4.340 0.002 0.000 0.222 13 L C 2.904 179.881 176.870 0.179 0.000 1.123 13 L CA 0.488 55.464 54.840 0.227 0.000 0.856 13 L CB -0.677 41.526 42.059 0.240 0.000 0.985 13 L HN 0.241 nan 8.230 nan 0.000 0.456 14 A N 0.266 123.136 122.820 0.084 0.000 1.903 14 A HA -0.296 4.025 4.320 0.002 0.000 0.219 14 A C 2.564 180.176 177.584 0.046 0.000 1.191 14 A CA 2.226 54.276 52.037 0.021 0.000 0.638 14 A CB -0.819 18.172 19.000 -0.015 0.000 0.823 14 A HN 0.394 nan 8.150 nan 0.000 0.451 15 A N -1.572 121.305 122.820 0.094 0.000 1.873 15 A HA -0.215 4.106 4.320 0.002 0.000 0.218 15 A C 2.019 179.714 177.584 0.186 0.000 1.193 15 A CA 1.977 54.080 52.037 0.111 0.000 0.629 15 A CB -1.066 18.001 19.000 0.112 0.000 0.826 15 A HN 0.978 nan 8.150 nan 0.000 0.447 16 W N 0.888 122.212 121.300 0.039 0.000 2.358 16 W HA -0.030 4.630 4.660 0.002 0.000 0.303 16 W C 2.189 178.742 176.519 0.056 0.000 1.208 16 W CA 1.503 58.891 57.345 0.071 0.000 1.274 16 W CB -0.964 28.565 29.460 0.115 0.000 1.138 16 W HN 0.240 nan 8.180 nan 0.000 0.515 17 G N 0.470 109.210 108.800 -0.100 0.000 2.442 17 G HA2 -0.344 3.617 3.960 0.002 0.000 0.219 17 G HA3 -0.344 3.617 3.960 0.002 0.000 0.219 17 G C 1.585 176.301 174.900 -0.308 0.000 1.141 17 G CA 1.287 46.104 45.100 -0.471 0.000 0.763 17 G HN 0.236 nan 8.290 nan 0.000 0.554 18 R N 1.046 121.473 120.500 -0.122 0.000 2.092 18 R HA 0.067 4.408 4.340 0.002 0.000 0.231 18 R C 2.389 178.661 176.300 -0.047 0.000 1.119 18 R CA 1.317 57.367 56.100 -0.083 0.000 0.970 18 R CB -0.385 29.894 30.300 -0.034 0.000 0.864 18 R HN 0.338 nan 8.270 nan 0.000 0.440 19 K N -0.323 120.087 120.400 0.016 0.000 2.097 19 K HA 0.007 4.328 4.320 0.002 0.000 0.205 19 K C 2.016 178.630 176.600 0.023 0.000 1.050 19 K CA 1.236 57.560 56.287 0.061 0.000 0.938 19 K CB -0.157 32.444 32.500 0.168 0.000 0.718 19 K HN 0.221 nan 8.250 nan 0.000 0.442 20 A N 1.459 124.245 122.820 -0.057 0.000 1.898 20 A HA -0.132 4.189 4.320 0.002 0.000 0.216 20 A C 2.100 179.619 177.584 -0.107 0.000 1.181 20 A CA 1.189 53.162 52.037 -0.106 0.000 0.620 20 A CB -0.466 18.334 19.000 -0.333 0.000 0.819 20 A HN 0.101 nan 8.150 nan 0.000 0.442 21 L N 0.057 121.191 121.223 -0.149 0.000 2.131 21 L HA -0.164 4.177 4.340 0.002 0.000 0.210 21 L C 1.861 178.698 176.870 -0.055 0.000 1.092 21 L CA 1.831 56.603 54.840 -0.113 0.000 0.759 21 L CB -0.529 41.450 42.059 -0.134 0.000 0.903 21 L HN 0.315 nan 8.230 nan 0.000 0.435 22 D N -0.570 119.808 120.400 -0.036 0.000 2.097 22 D HA -0.148 4.493 4.640 0.002 0.000 0.195 22 D C 2.329 178.633 176.300 0.006 0.000 0.989 22 D CA 1.381 55.375 54.000 -0.010 0.000 0.827 22 D CB -0.092 40.710 40.800 0.003 0.000 0.966 22 D HN 0.260 nan 8.370 nan 0.000 0.456 23 I N 1.164 121.744 120.570 0.016 0.000 2.252 23 I HA -0.222 3.949 4.170 0.002 0.000 0.245 23 I C 2.454 178.592 176.117 0.035 0.000 1.102 23 I CA 0.987 62.306 61.300 0.032 0.000 1.385 23 I CB -0.213 37.816 38.000 0.048 0.000 1.064 23 I HN -0.092 nan 8.210 nan 0.000 0.414 24 A N 0.441 123.274 122.820 0.022 0.000 1.892 24 A HA -0.287 4.034 4.320 0.002 0.000 0.218 24 A C 2.234 179.843 177.584 0.042 0.000 1.188 24 A CA 2.077 54.134 52.037 0.033 0.000 0.631 24 A CB -0.767 18.236 19.000 0.006 0.000 0.822 24 A HN 0.461 nan 8.150 nan 0.000 0.447 25 E N -0.569 119.643 120.200 0.020 0.000 2.097 25 E HA -0.230 4.121 4.350 0.002 0.000 0.196 25 E C 1.814 178.435 176.600 0.035 0.000 1.000 25 E CA 1.291 57.703 56.400 0.020 0.000 0.804 25 E CB -0.301 29.400 29.700 0.000 0.000 0.740 25 E HN 0.757 nan 8.360 nan 0.000 0.454 26 N N 0.039 118.762 118.700 0.039 0.000 2.573 26 N HA -0.128 4.613 4.740 0.002 0.000 0.187 26 N C 1.091 176.651 175.510 0.083 0.000 1.107 26 N CA 0.269 53.347 53.050 0.047 0.000 0.918 26 N CB 0.302 38.811 38.487 0.037 0.000 0.966 26 N HN 0.081 nan 8.380 nan 0.000 0.448 27 E N -0.264 120.001 120.200 0.109 0.000 2.489 27 E HA 0.124 4.475 4.350 0.002 0.000 0.204 27 E C -0.242 176.507 176.600 0.248 0.000 1.006 27 E CA 0.217 56.735 56.400 0.197 0.000 0.936 27 E CB 0.609 30.416 29.700 0.178 0.000 1.002 27 E HN 0.426 nan 8.360 nan 0.000 0.488 28 M N 1.041 120.718 119.600 0.128 0.000 2.386 28 M HA 0.280 4.761 4.480 0.002 0.000 0.245 28 M C -2.185 174.106 176.300 -0.015 0.000 0.982 28 M CA -1.716 53.626 55.300 0.071 0.000 0.860 28 M CB 1.351 33.999 32.600 0.079 0.000 1.371 28 M HN -0.285 nan 8.290 nan 0.000 0.425 29 P HA -0.090 nan 4.420 nan 0.000 0.218 29 P C 1.611 178.730 177.300 -0.301 0.000 1.149 29 P CA 1.372 64.356 63.100 -0.192 0.000 0.817 29 P CB 0.150 31.726 31.700 -0.206 0.000 0.785 30 G N 0.069 108.558 108.800 -0.519 0.000 2.421 30 G HA2 -0.225 3.736 3.960 0.002 0.000 0.216 30 G HA3 -0.225 3.736 3.960 0.002 0.000 0.216 30 G C 1.539 176.404 174.900 -0.058 0.000 1.171 30 G CA 0.531 45.453 45.100 -0.297 0.000 0.775 30 G HN 0.217 nan 8.290 nan 0.000 0.543 31 L N -0.065 121.158 121.223 -0.001 0.000 2.017 31 L HA -0.077 4.264 4.340 0.002 0.000 0.208 31 L C 3.095 179.972 176.870 0.012 0.000 1.073 31 L CA 0.810 55.672 54.840 0.036 0.000 0.745 31 L CB -0.332 41.763 42.059 0.060 0.000 0.894 31 L HN 0.166 nan 8.230 nan 0.000 0.432 32 M N -0.594 118.998 119.600 -0.013 0.000 2.159 32 M HA -0.213 4.268 4.480 0.002 0.000 0.263 32 M C 2.305 178.591 176.300 -0.022 0.000 1.063 32 M CA 1.589 56.880 55.300 -0.017 0.000 1.110 32 M CB -1.335 31.251 32.600 -0.022 0.000 1.374 32 M HN 0.158 nan 8.290 nan 0.000 0.411 33 R N -0.027 120.450 120.500 -0.040 0.000 2.115 33 R HA -0.035 4.306 4.340 0.002 0.000 0.226 33 R C 1.992 178.285 176.300 -0.011 0.000 1.100 33 R CA 1.095 57.170 56.100 -0.043 0.000 0.980 33 R CB -0.056 30.205 30.300 -0.065 0.000 0.875 33 R HN 0.123 nan 8.270 nan 0.000 0.445 34 M N 0.061 119.693 119.600 0.052 0.000 2.175 34 M HA -0.045 4.436 4.480 0.002 0.000 0.264 34 M C 2.095 178.494 176.300 0.164 0.000 1.063 34 M CA 1.551 56.959 55.300 0.181 0.000 1.119 34 M CB -0.718 31.987 32.600 0.175 0.000 1.377 34 M HN 0.164 nan 8.290 nan 0.000 0.415 35 R N -0.006 120.536 120.500 0.070 0.000 2.066 35 R HA -0.124 4.217 4.340 0.002 0.000 0.232 35 R C 2.143 178.445 176.300 0.003 0.000 1.131 35 R CA 1.386 57.512 56.100 0.044 0.000 0.955 35 R CB -0.155 30.153 30.300 0.014 0.000 0.851 35 R HN 0.451 nan 8.270 nan 0.000 0.432 36 E N 0.049 120.231 120.200 -0.031 0.000 2.070 36 E HA -0.264 4.087 4.350 0.002 0.000 0.197 36 E C 1.956 178.482 176.600 -0.123 0.000 1.004 36 E CA 2.006 58.368 56.400 -0.064 0.000 0.805 36 E CB -0.047 29.612 29.700 -0.067 0.000 0.744 36 E HN 0.348 nan 8.360 nan 0.000 0.451 37 M N -1.184 118.277 119.600 -0.231 0.000 2.334 37 M HA -0.057 4.424 4.480 0.002 0.000 0.266 37 M C 1.006 176.964 176.300 -0.570 0.000 1.082 37 M CA 1.090 56.101 55.300 -0.482 0.000 1.141 37 M CB 0.216 32.339 32.600 -0.796 0.000 1.380 37 M HN 0.081 nan 8.290 nan 0.000 0.440 38 Y N -1.073 119.231 120.300 0.007 0.000 2.467 38 Y HA 0.317 4.868 4.550 0.002 0.000 0.250 38 Y C 2.292 178.195 175.900 0.006 0.000 1.155 38 Y CA -0.250 57.856 58.100 0.010 0.000 1.249 38 Y CB -0.301 38.167 38.460 0.014 0.000 1.146 38 Y HN 0.074 nan 8.280 nan 0.000 0.524 39 S N 0.505 116.260 115.700 0.091 0.000 2.370 39 S HA -0.245 4.226 4.470 0.002 0.000 0.226 39 S C 2.347 176.978 174.600 0.052 0.000 1.033 39 S CA 1.512 59.748 58.200 0.060 0.000 1.011 39 S CB -0.324 62.890 63.200 0.023 0.000 0.852 39 S HN 0.576 nan 8.310 nan 0.000 0.457 40 A N 1.287 124.130 122.820 0.038 0.000 1.854 40 A HA -0.041 4.280 4.320 0.002 0.000 0.214 40 A C 2.298 179.915 177.584 0.055 0.000 1.192 40 A CA 1.817 53.874 52.037 0.033 0.000 0.611 40 A CB -0.982 18.026 19.000 0.014 0.000 0.832 40 A HN 0.514 nan 8.150 nan 0.000 0.442 41 S N 0.166 115.915 115.700 0.082 0.000 2.399 41 S HA -0.091 4.380 4.470 0.002 0.000 0.231 41 S C 0.539 175.200 174.600 0.102 0.000 1.022 41 S CA 1.036 59.298 58.200 0.104 0.000 0.983 41 S CB -0.290 63.008 63.200 0.164 0.000 0.803 41 S HN 0.530 nan 8.310 nan 0.000 0.480 42 K N 0.131 120.597 120.400 0.109 0.000 3.257 42 K HA -0.123 4.198 4.320 0.002 0.000 0.270 42 K C -2.241 174.408 176.600 0.082 0.000 0.984 42 K CA 0.813 57.148 56.287 0.081 0.000 0.739 42 K CB -1.790 30.745 32.500 0.058 0.000 1.351 42 K HN 0.401 nan 8.250 nan 0.000 0.463 43 P HA -0.158 nan 4.420 nan 0.000 0.221 43 P C 1.050 178.427 177.300 0.128 0.000 1.145 43 P CA 1.023 64.158 63.100 0.058 0.000 0.795 43 P CB 0.144 31.808 31.700 -0.060 0.000 0.775 44 L N -0.883 120.373 121.223 0.054 0.000 2.653 44 L HA 0.139 4.480 4.340 0.002 0.000 0.231 44 L C 1.112 177.929 176.870 -0.088 0.000 1.153 44 L CA -0.521 54.289 54.840 -0.050 0.000 0.933 44 L CB -0.527 41.437 42.059 -0.157 0.000 1.175 44 L HN -0.048 nan 8.230 nan 0.000 0.473 45 K N 0.830 121.275 120.400 0.075 0.000 2.451 45 K HA 0.256 4.577 4.320 0.002 0.000 0.280 45 K C 1.060 177.756 176.600 0.160 0.000 1.020 45 K CA 1.005 57.335 56.287 0.072 0.000 1.008 45 K CB 0.603 33.157 32.500 0.090 0.000 0.917 45 K HN 0.147 nan 8.250 nan 0.000 0.478 46 G N 1.375 110.201 108.800 0.043 0.000 2.175 46 G HA2 -0.236 3.725 3.960 0.002 0.000 0.244 46 G HA3 -0.236 3.725 3.960 0.002 0.000 0.244 46 G C 0.152 174.951 174.900 -0.168 0.000 0.982 46 G CA -0.013 45.154 45.100 0.111 0.000 0.641 46 G HN 1.052 nan 8.290 nan 0.000 0.527 47 A N 0.230 122.657 122.820 -0.656 0.000 2.310 47 A HA 0.813 5.134 4.320 0.002 0.000 0.299 47 A C 0.547 177.693 177.584 -0.730 0.000 1.147 47 A CA -0.343 50.935 52.037 -1.265 0.000 0.818 47 A CB 0.533 18.588 19.000 -1.576 0.000 1.096 47 A HN 0.404 nan 8.150 nan 0.000 0.495 48 R N 2.584 122.603 120.500 -0.802 0.000 2.363 48 R HA 0.324 4.665 4.340 0.002 0.000 0.297 48 R C -1.374 174.422 176.300 -0.841 0.000 1.208 48 R CA -0.165 55.305 56.100 -1.050 0.000 1.121 48 R CB 0.868 30.250 30.300 -1.529 0.000 1.124 48 R HN 0.690 nan 8.270 nan 0.000 0.561 49 I N 2.239 122.585 120.570 -0.374 0.000 2.337 49 I HA 0.196 4.367 4.170 0.002 0.000 0.291 49 I C 0.570 176.751 176.117 0.107 0.000 1.046 49 I CA -0.164 61.050 61.300 -0.144 0.000 1.324 49 I CB 1.374 39.330 38.000 -0.073 0.000 1.409 49 I HN 0.454 nan 8.210 nan 0.000 0.494 50 A N 5.615 128.436 122.820 0.002 0.000 2.252 50 A HA 0.712 5.033 4.320 0.002 0.000 0.309 50 A C 0.320 177.688 177.584 -0.359 0.000 1.285 50 A CA -0.347 51.663 52.037 -0.044 0.000 0.900 50 A CB 0.354 19.319 19.000 -0.059 0.000 1.157 50 A HN 0.813 nan 8.150 nan 0.000 0.536 51 G N -0.088 108.282 108.800 -0.717 0.000 2.416 51 G HA2 0.487 4.448 3.960 0.002 0.000 0.329 51 G HA3 0.487 4.448 3.960 0.002 0.000 0.329 51 G C -0.916 173.124 174.900 -1.434 0.000 1.173 51 G CA -0.362 43.819 45.100 -1.531 0.000 0.929 51 G HN 1.019 nan 8.290 nan 0.000 0.475 52 C N 3.893 122.613 119.300 -0.967 0.000 2.534 52 C HA 0.798 5.259 4.460 0.002 0.000 0.309 52 C C -0.684 174.086 174.990 -0.367 0.000 1.072 52 C CA -0.614 58.047 59.018 -0.596 0.000 1.441 52 C CB -1.526 25.990 27.740 -0.373 0.000 1.906 52 C HN 0.729 nan 8.230 nan 0.000 0.429 53 L N 6.279 127.386 121.223 -0.193 0.000 2.549 53 L HA 0.493 4.834 4.340 0.002 0.000 0.259 53 L C -0.421 176.594 176.870 0.241 0.000 0.934 53 L CA -0.398 54.494 54.840 0.086 0.000 0.865 53 L CB 1.622 43.889 42.059 0.346 0.000 1.352 53 L HN 0.667 nan 8.230 nan 0.000 0.410 54 H N 3.796 123.004 119.070 0.230 0.000 3.193 54 H HA -0.118 4.439 4.556 0.001 0.000 0.306 54 H C -0.024 175.440 175.328 0.228 0.000 0.960 54 H CA 0.328 56.500 56.048 0.207 0.000 1.375 54 H CB 0.444 30.299 29.762 0.155 0.000 1.321 54 H HN 0.413 nan 8.280 nan 0.000 0.578 55 M N 4.544 124.320 119.600 0.292 0.000 2.664 55 M HA 0.084 4.565 4.480 0.002 0.000 0.332 55 M C -0.209 176.166 176.300 0.125 0.000 1.354 55 M CA -0.210 55.199 55.300 0.182 0.000 1.399 55 M CB -0.395 32.314 32.600 0.182 0.000 1.224 55 M HN 0.679 nan 8.290 nan 0.000 0.479 56 T N -0.365 114.249 114.554 0.100 0.000 2.905 56 T HA 0.516 4.867 4.350 0.002 0.000 0.283 56 T C 0.980 175.676 174.700 -0.007 0.000 1.031 56 T CA -0.927 61.220 62.100 0.078 0.000 1.002 56 T CB 0.813 69.752 68.868 0.118 0.000 1.200 56 T HN 0.148 nan 8.240 nan 0.000 0.560 57 V N 1.112 121.009 119.914 -0.029 0.000 2.332 57 V HA -0.136 3.985 4.120 0.002 0.000 0.248 57 V C 2.657 178.728 176.094 -0.038 0.000 1.055 57 V CA 2.209 64.445 62.300 -0.108 0.000 1.038 57 V CB -1.146 30.604 31.823 -0.122 0.000 0.651 57 V HN 0.876 nan 8.190 nan 0.000 0.450 58 E N -0.149 120.095 120.200 0.073 0.000 2.106 58 E HA -0.134 4.217 4.350 0.002 0.000 0.192 58 E C 2.246 178.973 176.600 0.211 0.000 0.984 58 E CA 1.530 58.056 56.400 0.210 0.000 0.806 58 E CB -0.576 29.309 29.700 0.308 0.000 0.750 58 E HN 0.511 nan 8.360 nan 0.000 0.458 59 T N 0.239 114.838 114.554 0.076 0.000 2.995 59 T HA -0.022 4.329 4.350 0.002 0.000 0.269 59 T C 1.806 176.218 174.700 -0.481 0.000 1.091 59 T CA 0.926 62.838 62.100 -0.314 0.000 1.128 59 T CB -0.146 68.621 68.868 -0.169 0.000 0.891 59 T HN 0.270 nan 8.240 nan 0.000 0.492 60 A N 0.915 123.554 122.820 -0.301 0.000 1.897 60 A HA 0.013 4.334 4.320 0.002 0.000 0.215 60 A C 2.484 179.901 177.584 -0.278 0.000 1.181 60 A CA 0.994 52.840 52.037 -0.318 0.000 0.620 60 A CB -0.819 18.040 19.000 -0.236 0.000 0.821 60 A HN 0.353 nan 8.150 nan 0.000 0.443 61 V N 0.007 119.812 119.914 -0.183 0.000 2.515 61 V HA -0.203 3.918 4.120 0.002 0.000 0.250 61 V C 2.475 178.465 176.094 -0.172 0.000 1.058 61 V CA 1.815 64.039 62.300 -0.126 0.000 1.064 61 V CB -0.737 31.068 31.823 -0.030 0.000 0.675 61 V HN 0.618 nan 8.190 nan 0.000 0.461 62 L N 0.215 121.263 121.223 -0.292 0.000 2.005 62 L HA -0.091 4.250 4.340 0.002 0.000 0.207 62 L C 2.188 178.817 176.870 -0.401 0.000 1.072 62 L CA 1.867 56.469 54.840 -0.395 0.000 0.744 62 L CB -0.561 40.998 42.059 -0.834 0.000 0.895 62 L HN 0.200 nan 8.230 nan 0.000 0.433 63 I N 0.010 120.229 120.570 -0.585 0.000 2.118 63 I HA -0.330 3.841 4.170 0.002 0.000 0.241 63 I C 2.443 178.391 176.117 -0.281 0.000 1.070 63 I CA 1.868 62.835 61.300 -0.555 0.000 1.327 63 I CB -0.525 37.061 38.000 -0.691 0.000 1.034 63 I HN 0.386 nan 8.210 nan 0.000 0.405 64 E N -0.060 119.998 120.200 -0.237 0.000 2.265 64 E HA -0.161 4.190 4.350 0.002 0.000 0.196 64 E C 2.101 178.639 176.600 -0.103 0.000 0.996 64 E CA 1.572 57.885 56.400 -0.145 0.000 0.832 64 E CB -0.169 29.454 29.700 -0.129 0.000 0.756 64 E HN 0.544 nan 8.360 nan 0.000 0.491 65 T N 1.497 115.984 114.554 -0.110 0.000 2.851 65 T HA -0.022 4.329 4.350 0.002 0.000 0.262 65 T C 2.018 176.688 174.700 -0.050 0.000 1.043 65 T CA 0.476 62.540 62.100 -0.060 0.000 1.140 65 T CB -0.049 68.792 68.868 -0.046 0.000 0.872 65 T HN 0.089 nan 8.240 nan 0.000 0.446 66 L N 0.821 121.997 121.223 -0.080 0.000 2.083 66 L HA -0.074 4.267 4.340 0.002 0.000 0.209 66 L C 2.623 179.462 176.870 -0.052 0.000 1.083 66 L CA 0.901 55.704 54.840 -0.062 0.000 0.752 66 L CB -0.723 41.302 42.059 -0.055 0.000 0.899 66 L HN 0.149 nan 8.230 nan 0.000 0.433 67 V N 0.164 120.045 119.914 -0.054 0.000 2.358 67 V HA -0.237 3.884 4.120 0.002 0.000 0.246 67 V C 2.715 178.794 176.094 -0.024 0.000 1.047 67 V CA 1.690 63.968 62.300 -0.037 0.000 1.035 67 V CB -0.785 31.013 31.823 -0.041 0.000 0.658 67 V HN 0.474 nan 8.190 nan 0.000 0.452 68 A N -0.599 122.208 122.820 -0.022 0.000 2.125 68 A HA -0.097 4.224 4.320 0.002 0.000 0.219 68 A C 1.817 179.411 177.584 0.017 0.000 1.156 68 A CA 1.356 53.391 52.037 -0.003 0.000 0.671 68 A CB -0.374 18.625 19.000 -0.002 0.000 0.794 68 A HN 0.453 nan 8.150 nan 0.000 0.459 69 L N -1.179 120.051 121.223 0.012 0.000 2.653 69 L HA 0.317 4.658 4.340 0.002 0.000 0.231 69 L C 1.578 178.453 176.870 0.007 0.000 1.153 69 L CA 0.974 55.831 54.840 0.029 0.000 0.933 69 L CB -0.197 41.871 42.059 0.015 0.000 1.175 69 L HN 0.555 nan 8.230 nan 0.000 0.473 70 G N -1.342 107.455 108.800 -0.004 0.000 2.157 70 G HA2 -0.211 3.750 3.960 0.002 0.000 0.248 70 G HA3 -0.211 3.750 3.960 0.002 0.000 0.248 70 G C 0.544 175.412 174.900 -0.053 0.000 0.979 70 G CA 0.130 45.224 45.100 -0.010 0.000 0.650 70 G HN 0.639 nan 8.290 nan 0.000 0.529 71 A N -0.454 122.318 122.820 -0.080 0.000 2.272 71 A HA 0.755 5.076 4.320 0.002 0.000 0.275 71 A C 0.263 177.807 177.584 -0.067 0.000 1.096 71 A CA -0.010 51.945 52.037 -0.138 0.000 0.822 71 A CB 0.650 19.557 19.000 -0.154 0.000 1.088 71 A HN 0.388 nan 8.150 nan 0.000 0.495 72 E N -0.307 119.851 120.200 -0.070 0.000 2.191 72 E HA 0.469 4.820 4.350 0.002 0.000 0.263 72 E C -1.225 175.531 176.600 0.260 0.000 0.881 72 E CA -0.479 55.973 56.400 0.087 0.000 0.757 72 E CB 1.852 31.607 29.700 0.092 0.000 1.147 72 E HN 0.644 nan 8.360 nan 0.000 0.414 73 V N 1.529 121.627 119.914 0.306 0.000 3.001 73 V HA 0.722 4.843 4.120 0.002 0.000 0.314 73 V C -1.147 175.095 176.094 0.248 0.000 1.099 73 V CA -0.804 61.726 62.300 0.383 0.000 0.989 73 V CB 2.104 34.124 31.823 0.329 0.000 1.040 73 V HN 0.623 nan 8.190 nan 0.000 0.434 74 R N 3.675 124.293 120.500 0.196 0.000 2.502 74 R HA 0.401 4.742 4.340 0.002 0.000 0.298 74 R C -1.348 175.066 176.300 0.190 0.000 1.018 74 R CA -0.401 55.729 56.100 0.050 0.000 0.899 74 R CB 1.982 32.063 30.300 -0.365 0.000 1.181 74 R HN 0.889 nan 8.270 nan 0.000 0.444 75 W N 1.673 122.999 121.300 0.043 0.000 2.594 75 W HA 0.520 5.181 4.660 0.002 0.000 0.365 75 W C -0.168 176.384 176.519 0.055 0.000 1.196 75 W CA -0.148 57.208 57.345 0.017 0.000 1.258 75 W CB 2.255 31.708 29.460 -0.011 0.000 1.405 75 W HN 0.618 nan 8.180 nan 0.000 0.640 76 S N 0.496 116.214 115.700 0.030 0.000 2.586 76 S HA 0.252 4.723 4.470 0.002 0.000 0.277 76 S C -1.072 173.520 174.600 -0.014 0.000 1.131 76 S CA -0.808 57.395 58.200 0.006 0.000 0.848 76 S CB 1.460 64.537 63.200 -0.204 0.000 1.091 76 S HN 0.354 nan 8.310 nan 0.000 0.453 77 S N -0.377 115.336 115.700 0.022 0.000 2.652 77 S HA 0.477 4.948 4.470 0.002 0.000 0.270 77 S C 1.138 175.716 174.600 -0.036 0.000 1.243 77 S CA -0.165 58.066 58.200 0.051 0.000 0.999 77 S CB 0.311 63.575 63.200 0.107 0.000 0.973 77 S HN 1.555 nan 8.310 nan 0.000 0.544 78 C N 2.009 121.277 119.300 -0.053 0.000 2.884 78 C HA 0.559 5.020 4.460 0.002 0.000 0.287 78 C C 0.324 175.428 174.990 0.191 0.000 1.310 78 C CA -0.958 58.106 59.018 0.076 0.000 1.725 78 C CB -1.902 25.761 27.740 -0.128 0.000 2.060 78 C HN 0.689 nan 8.230 nan 0.000 0.618 79 N N 1.104 119.913 118.700 0.180 0.000 2.287 79 N HA 0.363 5.104 4.740 0.002 0.000 0.289 79 N C 0.512 176.064 175.510 0.069 0.000 1.066 79 N CA -0.319 52.785 53.050 0.089 0.000 0.841 79 N CB 1.823 40.450 38.487 0.233 0.000 1.599 79 N HN 0.428 nan 8.380 nan 0.000 0.476 80 I N -0.794 119.673 120.570 -0.171 0.000 3.111 80 I HA 0.082 4.252 4.170 0.002 0.000 0.272 80 I C -0.025 176.046 176.117 -0.077 0.000 1.268 80 I CA 0.882 62.050 61.300 -0.219 0.000 1.467 80 I CB -0.135 37.593 38.000 -0.454 0.000 1.087 80 I HN 0.228 nan 8.210 nan 0.000 0.467 81 F N 1.331 121.323 119.950 0.070 0.000 2.740 81 F HA 0.178 4.706 4.527 0.001 0.000 0.304 81 F C 2.741 178.610 175.800 0.115 0.000 1.098 81 F CA 0.128 58.181 58.000 0.087 0.000 1.258 81 F CB -0.625 38.426 39.000 0.085 0.000 1.061 81 F HN 0.149 nan 8.300 nan 0.000 0.598 82 S N -0.807 115.091 115.700 0.330 0.000 2.474 82 S HA -0.073 4.398 4.470 0.002 0.000 0.235 82 S C 0.996 175.743 174.600 0.244 0.000 0.997 82 S CA 0.538 58.915 58.200 0.296 0.000 0.949 82 S CB -1.238 62.244 63.200 0.470 0.000 0.766 82 S HN 0.159 nan 8.310 nan 0.000 0.517 83 T N 2.602 117.290 114.554 0.223 0.000 2.928 83 T HA 0.142 4.493 4.350 0.002 0.000 0.305 83 T C -0.235 174.572 174.700 0.177 0.000 1.035 83 T CA 0.241 62.458 62.100 0.194 0.000 1.145 83 T CB 0.621 69.594 68.868 0.176 0.000 0.963 83 T HN 0.410 nan 8.240 nan 0.000 0.545 84 Q N 1.892 121.790 119.800 0.163 0.000 2.466 84 Q HA 0.163 4.504 4.340 0.002 0.000 0.242 84 Q C 0.460 176.578 176.000 0.197 0.000 1.046 84 Q CA -0.483 55.419 55.803 0.165 0.000 0.841 84 Q CB 0.827 29.683 28.738 0.198 0.000 1.193 84 Q HN 0.534 nan 8.270 nan 0.000 0.508 85 D N 1.110 121.611 120.400 0.170 0.000 2.158 85 D HA -0.229 4.412 4.640 0.002 0.000 0.197 85 D C 1.587 177.989 176.300 0.169 0.000 0.995 85 D CA 1.481 55.585 54.000 0.174 0.000 0.846 85 D CB 0.198 41.102 40.800 0.173 0.000 0.941 85 D HN 0.689 nan 8.370 nan 0.000 0.456 86 H N 0.255 119.250 119.070 -0.126 0.000 2.423 86 H HA 0.181 4.738 4.556 0.002 0.000 0.297 86 H C 1.842 177.043 175.328 -0.211 0.000 1.075 86 H CA 1.236 57.155 56.048 -0.216 0.000 1.342 86 H CB -0.844 28.540 29.762 -0.630 0.000 1.395 86 H HN 0.079 nan 8.280 nan 0.000 0.530 87 A N 1.568 124.256 122.820 -0.220 0.000 1.897 87 A HA 0.169 4.490 4.320 0.002 0.000 0.215 87 A C 2.747 180.237 177.584 -0.157 0.000 1.181 87 A CA 1.731 53.575 52.037 -0.322 0.000 0.620 87 A CB -1.029 17.820 19.000 -0.253 0.000 0.821 87 A HN 0.598 nan 8.150 nan 0.000 0.443 88 A N -0.011 122.781 122.820 -0.046 0.000 1.898 88 A HA 0.189 4.510 4.320 0.002 0.000 0.216 88 A C 2.487 180.019 177.584 -0.087 0.000 1.181 88 A CA 1.963 53.980 52.037 -0.033 0.000 0.620 88 A CB -0.982 18.061 19.000 0.073 0.000 0.819 88 A HN 0.996 nan 8.150 nan 0.000 0.442 89 A N 0.051 122.837 122.820 -0.057 0.000 1.883 89 A HA 0.106 4.427 4.320 0.002 0.000 0.217 89 A C 2.533 180.030 177.584 -0.145 0.000 1.186 89 A CA 2.286 54.270 52.037 -0.089 0.000 0.624 89 A CB -1.128 17.869 19.000 -0.004 0.000 0.822 89 A HN 1.098 nan 8.150 nan 0.000 0.444 90 A N -0.201 122.537 122.820 -0.137 0.000 1.908 90 A HA -0.103 4.218 4.320 0.002 0.000 0.218 90 A C 2.034 179.517 177.584 -0.168 0.000 1.181 90 A CA 1.755 53.705 52.037 -0.145 0.000 0.627 90 A CB -0.505 18.395 19.000 -0.167 0.000 0.818 90 A HN 0.410 nan 8.150 nan 0.000 0.445 91 I N -0.160 120.297 120.570 -0.187 0.000 2.252 91 I HA -0.211 3.959 4.170 0.002 0.000 0.245 91 I C 2.939 178.918 176.117 -0.230 0.000 1.102 91 I CA 1.341 62.524 61.300 -0.195 0.000 1.385 91 I CB -1.592 36.288 38.000 -0.199 0.000 1.064 91 I HN 0.372 nan 8.210 nan 0.000 0.414 92 A N 0.887 123.513 122.820 -0.323 0.000 1.858 92 A HA -0.267 4.054 4.320 0.002 0.000 0.216 92 A C 2.388 179.663 177.584 -0.516 0.000 1.190 92 A CA 2.104 53.785 52.037 -0.592 0.000 0.617 92 A CB -0.670 17.743 19.000 -0.979 0.000 0.827 92 A HN 0.399 nan 8.150 nan 0.000 0.443 93 K N -0.027 120.152 120.400 -0.368 0.000 2.360 93 K HA 0.032 4.353 4.320 0.002 0.000 0.201 93 K C 1.527 178.044 176.600 -0.138 0.000 1.046 93 K CA 1.190 57.349 56.287 -0.213 0.000 0.945 93 K CB -0.289 32.132 32.500 -0.133 0.000 0.750 93 K HN 0.344 nan 8.250 nan 0.000 0.464 94 A N -0.040 122.692 122.820 -0.146 0.000 2.238 94 A HA 0.250 4.571 4.320 0.002 0.000 0.208 94 A C 1.428 178.965 177.584 -0.079 0.000 1.177 94 A CA 0.603 52.580 52.037 -0.100 0.000 0.804 94 A CB -0.456 18.480 19.000 -0.106 0.000 0.823 94 A HN 0.564 nan 8.150 nan 0.000 0.482 95 G N -1.198 107.547 108.800 -0.091 0.000 2.175 95 G HA2 -0.205 3.756 3.960 0.002 0.000 0.244 95 G HA3 -0.205 3.756 3.960 0.002 0.000 0.244 95 G C 0.057 174.936 174.900 -0.034 0.000 0.982 95 G CA 0.142 45.218 45.100 -0.041 0.000 0.641 95 G HN 0.429 nan 8.290 nan 0.000 0.527 96 I N 3.130 123.656 120.570 -0.073 0.000 2.325 96 I HA 0.320 4.491 4.170 0.002 0.000 0.291 96 I C -1.734 174.354 176.117 -0.048 0.000 1.019 96 I CA -2.372 58.901 61.300 -0.045 0.000 1.302 96 I CB 1.369 39.327 38.000 -0.069 0.000 1.401 96 I HN -0.123 nan 8.210 nan 0.000 0.485 97 P HA 0.031 nan 4.420 nan 0.000 0.271 97 P C -0.526 176.780 177.300 0.011 0.000 1.380 97 P CA 0.148 63.256 63.100 0.015 0.000 0.992 97 P CB 0.768 32.582 31.700 0.189 0.000 1.230 98 V N 5.481 125.287 119.914 -0.180 0.000 2.459 98 V HA 0.530 4.651 4.120 0.002 0.000 0.295 98 V C -1.170 174.802 176.094 -0.203 0.000 1.029 98 V CA -0.843 61.449 62.300 -0.013 0.000 0.874 98 V CB 0.707 32.529 31.823 -0.002 0.000 0.985 98 V HN 0.214 nan 8.190 nan 0.000 0.438 99 F N 6.468 126.531 119.950 0.189 0.000 2.453 99 F HA 0.855 5.383 4.527 0.002 0.000 0.358 99 F C 0.322 176.263 175.800 0.236 0.000 1.129 99 F CA 0.103 58.258 58.000 0.260 0.000 1.200 99 F CB 1.359 40.432 39.000 0.122 0.000 1.431 99 F HN 0.804 nan 8.300 nan 0.000 0.503 100 A N 2.285 125.348 122.820 0.404 0.000 2.608 100 A HA 0.821 5.142 4.320 0.002 0.000 0.292 100 A C -2.189 175.636 177.584 0.402 0.000 1.066 100 A CA -0.772 51.415 52.037 0.250 0.000 0.676 100 A CB 1.256 20.357 19.000 0.169 0.000 1.277 100 A HN 0.721 nan 8.150 nan 0.000 0.413 101 W N 0.789 122.206 121.300 0.194 0.000 3.298 101 W HA 0.667 5.328 4.660 0.002 0.000 0.302 101 W C -1.043 175.591 176.519 0.193 0.000 1.255 101 W CA -0.711 56.737 57.345 0.171 0.000 1.196 101 W CB 0.715 30.268 29.460 0.154 0.000 1.364 101 W HN 0.854 nan 8.180 nan 0.000 0.566 102 K N 1.792 122.407 120.400 0.358 0.000 2.350 102 K HA 0.459 4.780 4.320 0.002 0.000 0.279 102 K C 0.969 177.809 176.600 0.400 0.000 1.027 102 K CA 0.872 57.336 56.287 0.296 0.000 0.969 102 K CB 0.414 33.074 32.500 0.267 0.000 0.954 102 K HN 1.627 nan 8.250 nan 0.000 0.474 103 G N 2.604 111.647 108.800 0.404 0.000 2.171 103 G HA2 -0.236 3.725 3.960 0.002 0.000 0.238 103 G HA3 -0.236 3.725 3.960 0.002 0.000 0.238 103 G C -0.446 174.682 174.900 0.380 0.000 1.039 103 G CA 0.304 45.698 45.100 0.490 0.000 0.759 103 G HN 0.725 nan 8.290 nan 0.000 0.501 104 E N 0.057 120.277 120.200 0.034 0.000 2.376 104 E HA 0.544 4.895 4.350 0.002 0.000 0.254 104 E C 0.935 177.582 176.600 0.078 0.000 1.213 104 E CA 0.126 56.507 56.400 -0.033 0.000 0.945 104 E CB 0.495 29.863 29.700 -0.554 0.000 1.057 104 E HN 0.481 nan 8.360 nan 0.000 0.479 105 T N -2.016 112.615 114.554 0.129 0.000 2.925 105 T HA 0.135 4.486 4.350 0.002 0.000 0.285 105 T C 0.475 175.215 174.700 0.066 0.000 1.021 105 T CA -0.904 61.252 62.100 0.093 0.000 1.042 105 T CB 1.274 70.220 68.868 0.131 0.000 1.037 105 T HN 0.227 nan 8.240 nan 0.000 0.481 106 D N 1.187 121.594 120.400 0.012 0.000 2.254 106 D HA -0.133 4.508 4.640 0.002 0.000 0.201 106 D C 1.543 177.909 176.300 0.110 0.000 0.998 106 D CA 1.493 55.500 54.000 0.011 0.000 0.885 106 D CB 0.143 40.922 40.800 -0.034 0.000 0.915 106 D HN 0.709 nan 8.370 nan 0.000 0.460 107 E N 0.629 120.895 120.200 0.110 0.000 2.033 107 E HA -0.103 4.248 4.350 0.002 0.000 0.189 107 E C 2.104 178.820 176.600 0.193 0.000 0.979 107 E CA 0.812 57.292 56.400 0.134 0.000 0.802 107 E CB -0.172 29.591 29.700 0.104 0.000 0.763 107 E HN 0.463 nan 8.360 nan 0.000 0.449 108 E N -0.086 120.237 120.200 0.205 0.000 2.153 108 E HA -0.241 4.110 4.350 0.002 0.000 0.194 108 E C 1.906 178.639 176.600 0.222 0.000 0.988 108 E CA 0.951 57.517 56.400 0.276 0.000 0.811 108 E CB -0.441 29.486 29.700 0.378 0.000 0.746 108 E HN 0.307 nan 8.360 nan 0.000 0.466 109 Y N 2.222 122.522 120.300 0.000 0.000 2.053 109 Y HA -0.266 4.285 4.550 0.002 0.000 0.277 109 Y C 2.246 178.148 175.900 0.004 0.000 1.159 109 Y CA 1.640 59.702 58.100 -0.065 0.000 1.125 109 Y CB -0.371 38.030 38.460 -0.099 0.000 0.969 109 Y HN 0.002 nan 8.280 nan 0.000 0.492 110 L N -0.851 120.445 121.223 0.122 0.000 2.083 110 L HA -0.249 4.092 4.340 0.002 0.000 0.209 110 L C 2.300 179.168 176.870 -0.002 0.000 1.083 110 L CA 2.121 56.978 54.840 0.028 0.000 0.752 110 L CB -0.687 41.446 42.059 0.124 0.000 0.899 110 L HN 0.647 nan 8.230 nan 0.000 0.433 111 W N 0.232 121.500 121.300 -0.054 0.000 2.358 111 W HA -0.252 4.409 4.660 0.001 0.000 0.303 111 W C 2.628 179.080 176.519 -0.111 0.000 1.208 111 W CA 1.930 59.251 57.345 -0.040 0.000 1.274 111 W CB -0.526 28.962 29.460 0.047 0.000 1.138 111 W HN 0.179 nan 8.180 nan 0.000 0.515 112 C N 0.347 119.644 119.300 -0.006 0.000 2.429 112 C HA -0.204 4.257 4.460 0.002 0.000 0.277 112 C C 2.692 177.400 174.990 -0.470 0.000 1.262 112 C CA 1.253 60.130 59.018 -0.236 0.000 1.733 112 C CB -1.525 26.201 27.740 -0.023 0.000 2.010 112 C HN 0.366 nan 8.230 nan 0.000 0.483 113 I N 0.862 121.167 120.570 -0.442 0.000 2.226 113 I HA -0.189 3.982 4.170 0.002 0.000 0.245 113 I C 2.575 178.422 176.117 -0.450 0.000 1.100 113 I CA 1.427 62.463 61.300 -0.439 0.000 1.374 113 I CB -0.644 37.113 38.000 -0.404 0.000 1.057 113 I HN 0.394 nan 8.210 nan 0.000 0.413 114 E N 0.548 120.484 120.200 -0.440 0.000 2.204 114 E HA -0.207 4.144 4.350 0.002 0.000 0.195 114 E C 2.106 178.387 176.600 -0.531 0.000 0.990 114 E CA 0.818 56.972 56.400 -0.410 0.000 0.821 114 E CB -0.162 29.366 29.700 -0.286 0.000 0.750 114 E HN 0.535 nan 8.360 nan 0.000 0.477 115 Q N -0.267 119.039 119.800 -0.824 0.000 2.230 115 Q HA -0.068 4.273 4.340 0.002 0.000 0.202 115 Q C 2.134 177.612 176.000 -0.870 0.000 0.963 115 Q CA 1.532 56.672 55.803 -1.106 0.000 0.866 115 Q CB -0.301 27.246 28.738 -1.985 0.000 0.931 115 Q HN 0.416 nan 8.270 nan 0.000 0.452 116 T N -2.704 111.467 114.554 -0.639 0.000 3.081 116 T HA 0.127 4.478 4.350 0.002 0.000 0.255 116 T C 1.854 176.352 174.700 -0.337 0.000 1.113 116 T CA -0.020 61.803 62.100 -0.461 0.000 1.082 116 T CB -0.138 68.529 68.868 -0.335 0.000 0.939 116 T HN 0.120 nan 8.240 nan 0.000 0.506 117 L N 0.002 121.023 121.223 -0.338 0.000 2.201 117 L HA 0.097 4.438 4.340 0.002 0.000 0.212 117 L C 0.996 177.649 176.870 -0.362 0.000 1.105 117 L CA 0.885 55.523 54.840 -0.337 0.000 0.775 117 L CB -0.586 41.199 42.059 -0.458 0.000 0.913 117 L HN 0.408 nan 8.230 nan 0.000 0.440 118 H N -0.855 118.169 119.070 -0.077 0.000 2.547 118 H HA 0.383 4.940 4.556 0.002 0.000 0.342 118 H C -0.852 174.461 175.328 -0.025 0.000 1.048 118 H CA -0.648 55.420 56.048 0.034 0.000 1.204 118 H CB 1.518 31.264 29.762 -0.027 0.000 1.493 118 H HN -0.180 nan 8.280 nan 0.000 0.511 119 F N 2.010 121.991 119.950 0.051 0.000 2.457 119 F HA 0.168 4.696 4.527 0.002 0.000 0.330 119 F C 1.973 177.799 175.800 0.044 0.000 1.069 119 F CA -1.017 57.000 58.000 0.029 0.000 1.009 119 F CB 0.928 39.924 39.000 -0.006 0.000 1.276 119 F HN 0.357 nan 8.300 nan 0.000 0.492 120 K N 0.275 120.804 120.400 0.215 0.000 2.034 120 K HA -0.205 4.116 4.320 0.002 0.000 0.214 120 K C 0.241 176.914 176.600 0.122 0.000 1.051 120 K CA 2.161 58.527 56.287 0.131 0.000 0.931 120 K CB -0.852 31.715 32.500 0.111 0.000 0.715 120 K HN 0.639 nan 8.250 nan 0.000 0.446 121 D N 0.129 120.609 120.400 0.134 0.000 2.491 121 D HA 0.375 5.016 4.640 0.002 0.000 0.228 121 D C 0.643 176.996 176.300 0.088 0.000 1.183 121 D CA 0.034 54.088 54.000 0.090 0.000 0.827 121 D CB 0.597 41.435 40.800 0.064 0.000 0.989 121 D HN 0.459 nan 8.370 nan 0.000 0.494 122 G N 0.237 109.117 108.800 0.134 0.000 2.369 122 G HA2 0.172 4.133 3.960 0.002 0.000 0.307 122 G HA3 0.172 4.133 3.960 0.002 0.000 0.307 122 G C -3.275 171.736 174.900 0.185 0.000 1.327 122 G CA -1.111 44.066 45.100 0.127 0.000 0.963 122 G HN -0.034 nan 8.290 nan 0.000 0.590 123 P HA 0.462 nan 4.420 nan 0.000 0.276 123 P C 0.682 177.942 177.300 -0.067 0.000 1.261 123 P CA -0.590 62.548 63.100 0.064 0.000 0.800 123 P CB 0.633 32.321 31.700 -0.020 0.000 1.066 124 L N -0.232 120.937 121.223 -0.089 0.000 2.525 124 L HA 0.199 4.540 4.340 0.002 0.000 0.278 124 L C 0.633 177.358 176.870 -0.243 0.000 1.218 124 L CA -0.029 54.650 54.840 -0.269 0.000 0.878 124 L CB -0.477 41.539 42.059 -0.072 0.000 1.127 124 L HN 0.329 nan 8.230 nan 0.000 0.492 125 N N 2.683 121.193 118.700 -0.316 0.000 2.197 125 N HA 0.303 5.044 4.740 0.002 0.000 0.228 125 N C -0.573 174.861 175.510 -0.127 0.000 1.212 125 N CA -0.255 52.704 53.050 -0.151 0.000 0.883 125 N CB 0.686 39.127 38.487 -0.075 0.000 1.107 125 N HN 0.577 nan 8.380 nan 0.000 0.519 126 M N 0.695 120.171 119.600 -0.206 0.000 2.471 126 M HA 0.443 4.924 4.480 0.002 0.000 0.284 126 M C -1.646 174.562 176.300 -0.154 0.000 1.203 126 M CA -0.410 54.792 55.300 -0.163 0.000 0.915 126 M CB 2.430 34.873 32.600 -0.262 0.000 1.734 126 M HN -0.067 nan 8.290 nan 0.000 0.485 127 I N 2.589 123.088 120.570 -0.120 0.000 2.545 127 I HA 0.534 4.705 4.170 0.002 0.000 0.292 127 I C -1.036 174.996 176.117 -0.141 0.000 1.040 127 I CA -0.782 60.434 61.300 -0.140 0.000 1.068 127 I CB 2.590 40.524 38.000 -0.110 0.000 1.251 127 I HN 0.558 nan 8.210 nan 0.000 0.424 128 L N 5.973 127.077 121.223 -0.200 0.000 2.417 128 L HA 0.480 4.821 4.340 0.002 0.000 0.259 128 L C -1.299 175.433 176.870 -0.230 0.000 1.023 128 L CA -0.236 54.504 54.840 -0.167 0.000 0.901 128 L CB 0.715 42.698 42.059 -0.127 0.000 1.227 128 L HN 0.503 nan 8.230 nan 0.000 0.454 129 D N 2.185 122.497 120.400 -0.147 0.000 2.272 129 D HA 0.359 5.000 4.640 0.002 0.000 0.247 129 D C -1.342 174.915 176.300 -0.072 0.000 0.990 129 D CA -0.022 53.895 54.000 -0.139 0.000 0.931 129 D CB 2.217 42.947 40.800 -0.117 0.000 1.195 129 D HN 0.397 nan 8.370 nan 0.000 0.477 130 D N 0.514 120.874 120.400 -0.066 0.000 2.336 130 D HA 0.422 5.063 4.640 0.002 0.000 0.248 130 D C 0.526 176.813 176.300 -0.022 0.000 1.326 130 D CA -0.230 53.740 54.000 -0.050 0.000 0.973 130 D CB 0.272 41.065 40.800 -0.012 0.000 1.255 130 D HN 0.582 nan 8.370 nan 0.000 0.558 131 G N 1.930 110.740 108.800 0.017 0.000 2.284 131 G HA2 -0.049 3.912 3.960 0.002 0.000 0.201 131 G HA3 -0.049 3.912 3.960 0.002 0.000 0.201 131 G C 1.080 176.057 174.900 0.128 0.000 0.998 131 G CA 0.452 45.675 45.100 0.205 0.000 0.651 131 G HN 1.525 nan 8.290 nan 0.000 0.489 132 G N -0.095 108.734 108.800 0.048 0.000 2.179 132 G HA2 -0.291 3.670 3.960 0.002 0.000 0.260 132 G HA3 -0.291 3.670 3.960 0.002 0.000 0.260 132 G C 0.779 175.694 174.900 0.025 0.000 0.977 132 G CA 1.207 46.317 45.100 0.016 0.000 0.641 132 G HN 0.632 nan 8.290 nan 0.000 0.533 133 D N -0.073 120.363 120.400 0.059 0.000 2.117 133 D HA -0.010 4.631 4.640 0.002 0.000 0.197 133 D C 2.520 178.805 176.300 -0.025 0.000 0.987 133 D CA 1.022 55.057 54.000 0.057 0.000 0.829 133 D CB -0.137 40.744 40.800 0.136 0.000 0.961 133 D HN 0.450 nan 8.370 nan 0.000 0.460 134 L N 0.659 121.833 121.223 -0.083 0.000 2.027 134 L HA -0.169 4.172 4.340 0.002 0.000 0.206 134 L C 2.550 179.363 176.870 -0.094 0.000 1.074 134 L CA 1.806 56.563 54.840 -0.138 0.000 0.745 134 L CB -0.512 41.429 42.059 -0.197 0.000 0.898 134 L HN 0.158 nan 8.230 nan 0.000 0.433 135 T N -2.883 111.625 114.554 -0.077 0.000 2.867 135 T HA -0.201 4.150 4.350 0.002 0.000 0.268 135 T C 1.443 176.119 174.700 -0.039 0.000 1.057 135 T CA 1.976 64.044 62.100 -0.053 0.000 1.136 135 T CB -0.447 68.346 68.868 -0.125 0.000 0.874 135 T HN 0.387 nan 8.240 nan 0.000 0.466 136 N N 0.001 118.674 118.700 -0.046 0.000 2.354 136 N HA 0.170 4.911 4.740 0.002 0.000 0.179 136 N C 1.647 177.183 175.510 0.043 0.000 1.021 136 N CA 0.691 53.734 53.050 -0.012 0.000 0.887 136 N CB -0.182 38.301 38.487 -0.007 0.000 0.974 136 N HN 0.290 nan 8.380 nan 0.000 0.437 137 L N 0.755 121.984 121.223 0.010 0.000 1.988 137 L HA -0.089 4.252 4.340 0.002 0.000 0.207 137 L C 1.700 178.590 176.870 0.033 0.000 1.071 137 L CA 1.353 56.192 54.840 -0.000 0.000 0.744 137 L CB -0.376 41.624 42.059 -0.097 0.000 0.893 137 L HN 0.120 nan 8.230 nan 0.000 0.433 138 I N -0.387 120.173 120.570 -0.016 0.000 2.118 138 I HA -0.346 3.825 4.170 0.002 0.000 0.241 138 I C 2.600 178.773 176.117 0.094 0.000 1.070 138 I CA 1.731 63.038 61.300 0.012 0.000 1.327 138 I CB -1.766 36.230 38.000 -0.007 0.000 1.034 138 I HN 0.409 nan 8.210 nan 0.000 0.405 139 H N 0.667 119.736 119.070 -0.000 0.000 2.352 139 H HA -0.133 4.425 4.556 0.002 0.000 0.299 139 H C 2.300 177.643 175.328 0.025 0.000 1.097 139 H CA 2.494 58.548 56.048 0.010 0.000 1.311 139 H CB -0.207 29.555 29.762 -0.001 0.000 1.377 139 H HN 0.476 nan 8.280 nan 0.000 0.504 140 T N -3.175 111.471 114.554 0.153 0.000 3.037 140 T HA 0.121 4.472 4.350 0.002 0.000 0.251 140 T C 1.706 176.457 174.700 0.085 0.000 1.079 140 T CA 0.473 62.631 62.100 0.096 0.000 1.067 140 T CB 0.413 69.328 68.868 0.077 0.000 0.948 140 T HN 0.012 nan 8.240 nan 0.000 0.496 141 K N -0.224 120.263 120.400 0.145 0.000 2.387 141 K HA 0.274 4.595 4.320 0.002 0.000 0.197 141 K C 0.242 176.900 176.600 0.097 0.000 1.127 141 K CA 0.350 56.733 56.287 0.161 0.000 0.950 141 K CB 0.546 33.222 32.500 0.293 0.000 1.017 141 K HN 0.357 nan 8.250 nan 0.000 0.519 142 H N -0.804 118.254 119.070 -0.019 0.000 2.502 142 H HA 0.270 4.827 4.556 0.002 0.000 0.268 142 H C -2.188 173.111 175.328 -0.048 0.000 1.177 142 H CA -2.174 53.857 56.048 -0.029 0.000 0.961 142 H CB 0.315 30.052 29.762 -0.041 0.000 1.737 142 H HN 0.049 nan 8.280 nan 0.000 0.569 143 P HA -0.236 nan 4.420 nan 0.000 0.218 143 P C 1.090 178.369 177.300 -0.035 0.000 1.147 143 P CA 1.471 64.549 63.100 -0.037 0.000 0.827 143 P CB 0.386 32.064 31.700 -0.037 0.000 0.778 144 Q N -0.773 119.022 119.800 -0.008 0.000 2.124 144 Q HA -0.103 4.238 4.340 0.002 0.000 0.202 144 Q C 1.984 177.984 176.000 0.000 0.000 0.977 144 Q CA 1.213 57.014 55.803 -0.004 0.000 0.850 144 Q CB -1.114 27.629 28.738 0.008 0.000 0.901 144 Q HN 0.309 nan 8.270 nan 0.000 0.429 145 L N -0.571 120.659 121.223 0.011 0.000 2.418 145 L HA -0.025 4.316 4.340 0.002 0.000 0.218 145 L C 1.640 178.485 176.870 -0.042 0.000 1.125 145 L CA -0.115 54.719 54.840 -0.009 0.000 0.835 145 L CB -0.296 41.752 42.059 -0.018 0.000 0.953 145 L HN 0.176 nan 8.230 nan 0.000 0.454 146 L N 0.461 121.643 121.223 -0.069 0.000 2.051 146 L HA -0.277 4.064 4.340 0.002 0.000 0.214 146 L C 2.805 179.629 176.870 -0.076 0.000 1.076 146 L CA 2.267 57.035 54.840 -0.121 0.000 0.758 146 L CB -0.756 41.176 42.059 -0.212 0.000 0.890 146 L HN 0.448 nan 8.230 nan 0.000 0.433 147 S N -1.751 113.919 115.700 -0.051 0.000 2.561 147 S HA 0.032 4.503 4.470 0.002 0.000 0.225 147 S C 1.763 176.355 174.600 -0.012 0.000 0.977 147 S CA 0.510 58.693 58.200 -0.028 0.000 0.926 147 S CB -0.339 62.848 63.200 -0.022 0.000 0.769 147 S HN 0.405 nan 8.310 nan 0.000 0.533 148 G N 0.529 109.321 108.800 -0.014 0.000 2.986 148 G HA2 0.342 4.303 3.960 0.002 0.000 0.213 148 G HA3 0.342 4.303 3.960 0.002 0.000 0.213 148 G C 0.267 175.171 174.900 0.007 0.000 1.156 148 G CA -0.392 44.708 45.100 -0.001 0.000 0.763 148 G HN 0.526 nan 8.290 nan 0.000 0.547 149 I N 0.837 121.404 120.570 -0.005 0.000 2.396 149 I HA 0.237 4.408 4.170 0.002 0.000 0.289 149 I C 1.605 177.749 176.117 0.044 0.000 1.056 149 I CA -0.401 60.901 61.300 0.004 0.000 1.365 149 I CB 1.694 39.684 38.000 -0.016 0.000 1.407 149 I HN -0.000 nan 8.210 nan 0.000 0.509 150 R N 4.526 125.087 120.500 0.103 0.000 2.148 150 R HA 0.147 4.488 4.340 0.002 0.000 0.223 150 R C 0.589 176.940 176.300 0.085 0.000 1.088 150 R CA 0.750 56.924 56.100 0.123 0.000 0.985 150 R CB 0.252 30.711 30.300 0.265 0.000 0.880 150 R HN 0.881 nan 8.270 nan 0.000 0.451 151 G N -0.758 108.079 108.800 0.061 0.000 2.489 151 G HA2 0.372 4.333 3.960 0.002 0.000 0.291 151 G HA3 0.372 4.333 3.960 0.002 0.000 0.291 151 G C -1.500 173.392 174.900 -0.012 0.000 1.487 151 G CA -0.868 44.245 45.100 0.022 0.000 0.795 151 G HN 0.039 nan 8.290 nan 0.000 0.513 152 I N 0.043 120.596 120.570 -0.029 0.000 2.750 152 I HA 0.685 4.856 4.170 0.002 0.000 0.308 152 I C 0.061 176.135 176.117 -0.073 0.000 1.016 152 I CA -0.991 60.277 61.300 -0.054 0.000 1.098 152 I CB 2.362 40.328 38.000 -0.056 0.000 1.279 152 I HN 0.395 nan 8.210 nan 0.000 0.454 153 S N 2.845 118.500 115.700 -0.075 0.000 2.746 153 S HA 0.311 4.782 4.470 0.002 0.000 0.273 153 S C -0.918 173.651 174.600 -0.052 0.000 1.172 153 S CA -0.468 57.696 58.200 -0.060 0.000 1.116 153 S CB 0.454 63.627 63.200 -0.044 0.000 1.057 153 S HN 0.568 nan 8.310 nan 0.000 0.483 154 E N 2.378 122.544 120.200 -0.056 0.000 2.204 154 E HA 0.436 4.787 4.350 0.002 0.000 0.276 154 E C 0.505 177.098 176.600 -0.011 0.000 0.974 154 E CA -0.468 55.903 56.400 -0.048 0.000 0.815 154 E CB 0.971 30.623 29.700 -0.080 0.000 1.119 154 E HN 0.714 nan 8.360 nan 0.000 0.393 155 E N 1.681 121.883 120.200 0.004 0.000 2.641 155 E HA 0.145 4.495 4.350 0.002 0.000 0.224 155 E C -0.167 176.434 176.600 0.002 0.000 0.951 155 E CA -0.340 56.080 56.400 0.032 0.000 1.102 155 E CB 0.746 30.498 29.700 0.086 0.000 1.091 155 E HN 0.295 nan 8.360 nan 0.000 0.507 156 T N 0.514 115.043 114.554 -0.042 0.000 2.829 156 T HA 0.176 4.527 4.350 0.002 0.000 0.282 156 T C 0.969 175.662 174.700 -0.012 0.000 0.990 156 T CA -0.044 62.001 62.100 -0.092 0.000 1.028 156 T CB 1.596 70.297 68.868 -0.279 0.000 0.951 156 T HN 0.096 nan 8.240 nan 0.000 0.460 157 T N 3.182 117.743 114.554 0.011 0.000 2.665 157 T HA -0.147 4.204 4.350 0.002 0.000 0.268 157 T C 2.062 176.839 174.700 0.128 0.000 1.035 157 T CA 2.095 64.245 62.100 0.083 0.000 1.151 157 T CB -0.485 68.429 68.868 0.077 0.000 0.862 157 T HN 0.677 nan 8.240 nan 0.000 0.438 158 T N 1.055 115.656 114.554 0.078 0.000 2.777 158 T HA 0.016 4.367 4.350 0.002 0.000 0.266 158 T C 2.322 177.076 174.700 0.089 0.000 1.040 158 T CA 1.257 63.400 62.100 0.071 0.000 1.141 158 T CB -0.884 67.979 68.868 -0.008 0.000 0.868 158 T HN 0.544 nan 8.240 nan 0.000 0.444 159 G N 0.928 109.764 108.800 0.060 0.000 2.421 159 G HA2 -0.176 3.785 3.960 0.002 0.000 0.216 159 G HA3 -0.176 3.785 3.960 0.002 0.000 0.216 159 G C 1.694 176.614 174.900 0.034 0.000 1.171 159 G CA 0.796 45.923 45.100 0.045 0.000 0.775 159 G HN 0.424 nan 8.290 nan 0.000 0.543 160 V N 0.409 120.345 119.914 0.037 0.000 2.490 160 V HA -0.182 3.939 4.120 0.002 0.000 0.250 160 V C 2.353 178.510 176.094 0.106 0.000 1.061 160 V CA 2.247 64.531 62.300 -0.027 0.000 1.064 160 V CB -0.608 31.230 31.823 0.026 0.000 0.670 160 V HN 0.722 nan 8.190 nan 0.000 0.461 161 H N 0.422 119.565 119.070 0.123 0.000 2.353 161 H HA -0.208 4.349 4.556 0.001 0.000 0.300 161 H C 2.311 177.720 175.328 0.135 0.000 1.090 161 H CA 1.910 58.074 56.048 0.194 0.000 1.327 161 H CB 0.094 29.939 29.762 0.138 0.000 1.383 161 H HN 0.495 nan 8.280 nan 0.000 0.508 162 N N 0.178 119.060 118.700 0.304 0.000 2.244 162 N HA -0.126 4.615 4.740 0.002 0.000 0.183 162 N C 1.956 177.516 175.510 0.084 0.000 1.016 162 N CA 1.073 54.227 53.050 0.174 0.000 0.866 162 N CB -0.202 38.329 38.487 0.073 0.000 0.980 162 N HN 0.418 nan 8.380 nan 0.000 0.430 163 L N -0.800 120.418 121.223 -0.008 0.000 2.005 163 L HA -0.169 4.172 4.340 0.002 0.000 0.207 163 L C 1.744 178.556 176.870 -0.098 0.000 1.072 163 L CA 1.106 55.865 54.840 -0.134 0.000 0.744 163 L CB -0.558 41.331 42.059 -0.282 0.000 0.895 163 L HN 0.245 nan 8.230 nan 0.000 0.433 164 Y N 0.140 120.425 120.300 -0.026 0.000 2.207 164 Y HA -0.325 4.226 4.550 0.002 0.000 0.287 164 Y C 2.638 178.524 175.900 -0.023 0.000 1.156 164 Y CA 1.571 59.641 58.100 -0.050 0.000 1.182 164 Y CB -0.455 37.964 38.460 -0.069 0.000 0.979 164 Y HN 0.127 nan 8.280 nan 0.000 0.521 165 K N -0.177 120.331 120.400 0.179 0.000 2.057 165 K HA -0.169 4.152 4.320 0.002 0.000 0.206 165 K C 2.044 178.688 176.600 0.074 0.000 1.050 165 K CA 1.357 57.720 56.287 0.127 0.000 0.935 165 K CB -0.187 32.417 32.500 0.174 0.000 0.715 165 K HN 0.225 nan 8.250 nan 0.000 0.439 166 M N -0.020 119.605 119.600 0.042 0.000 2.080 166 M HA -0.231 4.250 4.480 0.002 0.000 0.260 166 M C 2.366 178.677 176.300 0.019 0.000 1.068 166 M CA 1.467 56.772 55.300 0.008 0.000 1.109 166 M CB -0.276 32.289 32.600 -0.058 0.000 1.342 166 M HN 0.259 nan 8.290 nan 0.000 0.405 167 M N 0.070 119.678 119.600 0.015 0.000 2.086 167 M HA -0.123 4.358 4.480 0.002 0.000 0.261 167 M C 2.473 178.794 176.300 0.034 0.000 1.067 167 M CA 1.853 57.165 55.300 0.020 0.000 1.116 167 M CB -1.059 31.548 32.600 0.011 0.000 1.348 167 M HN 0.350 nan 8.290 nan 0.000 0.407 168 A N 0.540 123.388 122.820 0.046 0.000 2.032 168 A HA -0.188 4.133 4.320 0.002 0.000 0.221 168 A C 1.565 179.169 177.584 0.033 0.000 1.165 168 A CA 1.830 53.891 52.037 0.039 0.000 0.645 168 A CB -0.660 18.364 19.000 0.042 0.000 0.807 168 A HN 0.602 nan 8.150 nan 0.000 0.453 169 N N -1.352 117.370 118.700 0.035 0.000 2.203 169 N HA 0.216 4.957 4.740 0.002 0.000 0.207 169 N C 0.960 176.489 175.510 0.033 0.000 1.130 169 N CA 0.827 53.897 53.050 0.033 0.000 0.861 169 N CB 0.477 38.985 38.487 0.035 0.000 1.005 169 N HN 0.583 nan 8.380 nan 0.000 0.507 170 G N 1.389 110.209 108.800 0.034 0.000 2.221 170 G HA2 -0.270 3.691 3.960 0.002 0.000 0.265 170 G HA3 -0.270 3.691 3.960 0.002 0.000 0.265 170 G C 0.781 175.711 174.900 0.049 0.000 1.041 170 G CA 0.509 45.631 45.100 0.036 0.000 0.807 170 G HN 0.418 nan 8.290 nan 0.000 0.502 171 I N -0.785 119.820 120.570 0.058 0.000 3.081 171 I HA 0.242 4.413 4.170 0.002 0.000 0.274 171 I C 1.710 177.925 176.117 0.162 0.000 1.178 171 I CA -0.175 61.180 61.300 0.093 0.000 1.460 171 I CB 0.032 38.079 38.000 0.077 0.000 1.137 171 I HN 0.203 nan 8.210 nan 0.000 0.443 172 L N 3.413 124.699 121.223 0.105 0.000 2.513 172 L HA 0.004 4.345 4.340 0.002 0.000 0.272 172 L C 0.675 177.675 176.870 0.217 0.000 1.187 172 L CA 0.521 55.451 54.840 0.150 0.000 0.895 172 L CB 0.339 42.411 42.059 0.022 0.000 1.147 172 L HN 0.219 nan 8.230 nan 0.000 0.483 173 K N 4.278 124.906 120.400 0.379 0.000 2.402 173 K HA 0.213 4.534 4.320 0.002 0.000 0.204 173 K C -0.436 176.211 176.600 0.079 0.000 1.056 173 K CA 0.118 56.468 56.287 0.106 0.000 1.069 173 K CB 0.974 33.428 32.500 -0.077 0.000 0.888 173 K HN 0.432 nan 8.250 nan 0.000 0.546 174 V N 0.940 120.942 119.914 0.147 0.000 2.841 174 V HA 0.524 4.645 4.120 0.002 0.000 0.310 174 V C -3.059 173.089 176.094 0.090 0.000 1.090 174 V CA -2.611 59.748 62.300 0.099 0.000 0.930 174 V CB 2.612 34.493 31.823 0.097 0.000 1.014 174 V HN -0.130 nan 8.190 nan 0.000 0.425 175 P HA 0.381 nan 4.420 nan 0.000 0.264 175 P C -0.713 176.629 177.300 0.070 0.000 1.193 175 P CA 0.497 63.679 63.100 0.137 0.000 0.763 175 P CB 0.661 32.476 31.700 0.192 0.000 0.810 176 A N 4.024 126.867 122.820 0.039 0.000 2.380 176 A HA 0.765 5.086 4.320 0.002 0.000 0.315 176 A C -0.794 176.768 177.584 -0.037 0.000 1.101 176 A CA -0.773 51.236 52.037 -0.047 0.000 0.771 176 A CB 1.064 19.986 19.000 -0.129 0.000 1.287 176 A HN 0.463 nan 8.150 nan 0.000 0.436 177 I N 1.885 122.404 120.570 -0.085 0.000 2.436 177 I HA 0.200 4.371 4.170 0.002 0.000 0.289 177 I C -0.614 175.447 176.117 -0.093 0.000 1.010 177 I CA -0.752 60.506 61.300 -0.070 0.000 1.098 177 I CB 1.949 39.889 38.000 -0.100 0.000 1.266 177 I HN 0.724 nan 8.210 nan 0.000 0.434 178 N N 6.294 124.917 118.700 -0.129 0.000 2.415 178 N HA 0.108 4.849 4.740 0.002 0.000 0.250 178 N C 0.274 175.851 175.510 0.111 0.000 1.127 178 N CA 0.093 53.094 53.050 -0.083 0.000 0.945 178 N CB 1.326 39.684 38.487 -0.215 0.000 1.196 178 N HN 0.385 nan 8.380 nan 0.000 0.499 179 V N 3.609 123.572 119.914 0.082 0.000 3.174 179 V HA -0.055 4.066 4.120 0.002 0.000 0.254 179 V C 2.024 178.192 176.094 0.124 0.000 1.120 179 V CA 0.926 63.292 62.300 0.110 0.000 1.114 179 V CB -0.699 31.170 31.823 0.078 0.000 0.756 179 V HN 0.716 nan 8.190 nan 0.000 0.467 180 N N 0.730 119.501 118.700 0.118 0.000 2.188 180 N HA -0.173 4.568 4.740 0.002 0.000 0.184 180 N C 1.232 176.829 175.510 0.145 0.000 1.018 180 N CA 1.444 54.560 53.050 0.110 0.000 0.858 180 N CB -0.055 38.489 38.487 0.096 0.000 0.989 180 N HN 0.341 nan 8.380 nan 0.000 0.426 181 D N 0.079 120.624 120.400 0.241 0.000 2.352 181 D HA 0.078 4.719 4.640 0.002 0.000 0.236 181 D C -0.385 175.993 176.300 0.130 0.000 1.148 181 D CA 0.200 54.347 54.000 0.246 0.000 0.844 181 D CB 0.096 41.196 40.800 0.500 0.000 0.933 181 D HN 0.207 nan 8.370 nan 0.000 0.507 182 S N -0.456 115.318 115.700 0.122 0.000 2.601 182 S HA 0.126 4.597 4.470 0.002 0.000 0.271 182 S C 1.919 176.531 174.600 0.019 0.000 1.305 182 S CA -0.790 57.445 58.200 0.059 0.000 1.022 182 S CB 2.399 65.636 63.200 0.063 0.000 0.940 182 S HN -0.079 nan 8.310 nan 0.000 0.525 183 V N 2.249 122.139 119.914 -0.040 0.000 2.343 183 V HA -0.176 3.945 4.120 0.002 0.000 0.247 183 V C 2.605 178.766 176.094 0.111 0.000 1.051 183 V CA 2.185 64.448 62.300 -0.061 0.000 1.036 183 V CB -1.684 29.898 31.823 -0.402 0.000 0.654 183 V HN 1.065 nan 8.190 nan 0.000 0.451 184 T N -2.093 112.437 114.554 -0.041 0.000 2.962 184 T HA -0.160 4.191 4.350 0.002 0.000 0.270 184 T C 1.792 176.457 174.700 -0.059 0.000 1.088 184 T CA 1.232 63.170 62.100 -0.271 0.000 1.127 184 T CB -0.038 68.580 68.868 -0.417 0.000 0.883 184 T HN 0.352 nan 8.240 nan 0.000 0.493 185 K N 1.081 121.503 120.400 0.035 0.000 2.056 185 K HA 0.153 4.474 4.320 0.002 0.000 0.205 185 K C 2.690 179.353 176.600 0.106 0.000 1.035 185 K CA 1.114 57.431 56.287 0.050 0.000 0.955 185 K CB -0.706 31.820 32.500 0.043 0.000 0.769 185 K HN 0.296 nan 8.250 nan 0.000 0.447 186 S N 1.062 116.816 115.700 0.089 0.000 2.351 186 S HA -0.103 4.368 4.470 0.002 0.000 0.220 186 S C 1.696 176.290 174.600 -0.010 0.000 1.035 186 S CA 1.452 59.678 58.200 0.044 0.000 1.031 186 S CB -0.086 63.134 63.200 0.033 0.000 0.928 186 S HN 0.231 nan 8.310 nan 0.000 0.433 187 K N 0.127 120.523 120.400 -0.007 0.000 2.442 187 K HA 0.058 4.379 4.320 0.002 0.000 0.198 187 K C 1.302 177.581 176.600 -0.535 0.000 1.042 187 K CA 0.805 56.921 56.287 -0.285 0.000 0.958 187 K CB -0.413 31.875 32.500 -0.352 0.000 0.766 187 K HN 0.492 nan 8.250 nan 0.000 0.474 188 F N 0.014 119.916 119.950 -0.079 0.000 2.537 188 F HA 0.072 4.600 4.527 0.002 0.000 0.277 188 F C 2.112 177.927 175.800 0.024 0.000 1.013 188 F CA 0.021 58.090 58.000 0.115 0.000 1.332 188 F CB -0.529 38.557 39.000 0.143 0.000 1.108 188 F HN -0.053 nan 8.300 nan 0.000 0.679 189 D N 0.864 121.364 120.400 0.166 0.000 2.083 189 D HA -0.165 4.476 4.640 0.002 0.000 0.199 189 D C 1.606 177.912 176.300 0.010 0.000 0.980 189 D CA 1.870 55.919 54.000 0.082 0.000 0.851 189 D CB -0.464 40.380 40.800 0.073 0.000 0.997 189 D HN -0.001 nan 8.370 nan 0.000 0.449 190 N N 0.170 118.880 118.700 0.017 0.000 2.060 190 N HA -0.170 4.571 4.740 0.002 0.000 0.195 190 N C 1.660 177.094 175.510 -0.126 0.000 1.028 190 N CA 1.369 54.411 53.050 -0.014 0.000 0.861 190 N CB -0.596 37.868 38.487 -0.038 0.000 1.029 190 N HN 0.303 nan 8.380 nan 0.000 0.428 191 L N -0.834 120.244 121.223 -0.241 0.000 2.062 191 L HA 0.039 4.380 4.340 0.002 0.000 0.202 191 L C 1.637 178.306 176.870 -0.334 0.000 1.079 191 L CA 1.455 56.071 54.840 -0.374 0.000 0.755 191 L CB -0.993 40.688 42.059 -0.630 0.000 0.913 191 L HN 0.066 nan 8.230 nan 0.000 0.445 192 Y N 0.491 120.699 120.300 -0.155 0.000 2.293 192 Y HA 0.047 4.598 4.550 0.002 0.000 0.291 192 Y C 2.469 178.247 175.900 -0.204 0.000 1.137 192 Y CA 0.861 58.882 58.100 -0.133 0.000 1.202 192 Y CB -1.474 36.949 38.460 -0.062 0.000 0.990 192 Y HN 0.291 nan 8.280 nan 0.000 0.537 193 G N -0.800 107.860 108.800 -0.233 0.000 2.484 193 G HA2 -0.251 3.710 3.960 0.002 0.000 0.215 193 G HA3 -0.251 3.710 3.960 0.002 0.000 0.215 193 G C 1.758 176.216 174.900 -0.737 0.000 1.219 193 G CA 1.351 45.968 45.100 -0.805 0.000 0.791 193 G HN 0.463 nan 8.290 nan 0.000 0.550 194 C N 0.003 119.010 119.300 -0.487 0.000 2.419 194 C HA 0.072 4.533 4.460 0.002 0.000 0.281 194 C C 2.792 177.750 174.990 -0.052 0.000 1.336 194 C CA 0.704 59.657 59.018 -0.110 0.000 1.770 194 C CB -0.963 26.771 27.740 -0.009 0.000 1.929 194 C HN 0.551 nan 8.230 nan 0.000 0.509 195 R N 0.905 121.364 120.500 -0.068 0.000 2.120 195 R HA -0.160 4.181 4.340 0.002 0.000 0.234 195 R C 1.926 178.245 176.300 0.031 0.000 1.123 195 R CA 1.632 57.730 56.100 -0.004 0.000 0.975 195 R CB -0.107 30.206 30.300 0.021 0.000 0.866 195 R HN 0.591 nan 8.270 nan 0.000 0.446 196 E N -0.980 119.225 120.200 0.009 0.000 2.166 196 E HA -0.036 4.315 4.350 0.002 0.000 0.192 196 E C 1.561 178.206 176.600 0.076 0.000 0.967 196 E CA 0.956 57.384 56.400 0.048 0.000 0.840 196 E CB 0.436 30.156 29.700 0.033 0.000 0.795 196 E HN 0.369 nan 8.360 nan 0.000 0.470 197 S N -0.012 115.731 115.700 0.072 0.000 2.524 197 S HA -0.008 4.463 4.470 0.002 0.000 0.216 197 S C 1.818 176.488 174.600 0.116 0.000 0.987 197 S CA -0.028 58.248 58.200 0.127 0.000 0.909 197 S CB 0.108 63.452 63.200 0.240 0.000 0.781 197 S HN 0.205 nan 8.310 nan 0.000 0.521 198 L N 1.938 123.221 121.223 0.100 0.000 2.005 198 L HA 0.173 4.514 4.340 0.002 0.000 0.207 198 L C 2.130 179.049 176.870 0.083 0.000 1.072 198 L CA 1.683 56.577 54.840 0.090 0.000 0.744 198 L CB -0.660 41.445 42.059 0.077 0.000 0.895 198 L HN 0.247 nan 8.230 nan 0.000 0.433 199 I N -0.055 120.573 120.570 0.097 0.000 2.454 199 I HA -0.229 3.942 4.170 0.002 0.000 0.254 199 I C 2.128 178.269 176.117 0.040 0.000 1.156 199 I CA 1.336 62.678 61.300 0.071 0.000 1.433 199 I CB -1.218 36.859 38.000 0.128 0.000 1.082 199 I HN 0.404 nan 8.210 nan 0.000 0.432 200 D N 1.385 121.826 120.400 0.068 0.000 2.084 200 D HA -0.133 4.508 4.640 0.002 0.000 0.194 200 D C 2.248 178.577 176.300 0.048 0.000 0.990 200 D CA 1.737 55.772 54.000 0.058 0.000 0.826 200 D CB -0.228 40.620 40.800 0.079 0.000 0.971 200 D HN 0.292 nan 8.370 nan 0.000 0.453 201 G N 0.582 109.418 108.800 0.059 0.000 2.421 201 G HA2 -0.205 3.756 3.960 0.002 0.000 0.216 201 G HA3 -0.205 3.756 3.960 0.002 0.000 0.216 201 G C 1.940 176.866 174.900 0.042 0.000 1.171 201 G CA 0.667 45.800 45.100 0.055 0.000 0.775 201 G HN 0.347 nan 8.290 nan 0.000 0.543 202 I N 0.323 120.917 120.570 0.040 0.000 2.208 202 I HA -0.175 3.996 4.170 0.002 0.000 0.245 202 I C 2.862 178.984 176.117 0.007 0.000 1.097 202 I CA 1.180 62.497 61.300 0.029 0.000 1.363 202 I CB -0.151 37.863 38.000 0.024 0.000 1.051 202 I HN 0.107 nan 8.210 nan 0.000 0.413 203 K N 0.625 121.018 120.400 -0.011 0.000 2.001 203 K HA -0.108 4.213 4.320 0.002 0.000 0.208 203 K C 2.229 178.823 176.600 -0.009 0.000 1.048 203 K CA 1.158 57.427 56.287 -0.030 0.000 0.932 203 K CB -0.313 32.151 32.500 -0.059 0.000 0.715 203 K HN 0.284 nan 8.250 nan 0.000 0.437 204 R N 0.422 120.926 120.500 0.006 0.000 2.127 204 R HA -0.117 4.224 4.340 0.002 0.000 0.238 204 R C 2.278 178.585 176.300 0.011 0.000 1.134 204 R CA 1.326 57.434 56.100 0.013 0.000 0.975 204 R CB -0.209 30.106 30.300 0.026 0.000 0.865 204 R HN 0.204 nan 8.270 nan 0.000 0.447 205 A N -0.147 122.681 122.820 0.014 0.000 1.878 205 A HA -0.099 4.222 4.320 0.002 0.000 0.213 205 A C 2.106 179.698 177.584 0.013 0.000 1.192 205 A CA 1.712 53.758 52.037 0.015 0.000 0.619 205 A CB -0.252 18.763 19.000 0.025 0.000 0.837 205 A HN 0.451 nan 8.150 nan 0.000 0.446 206 T N -6.116 108.445 114.554 0.013 0.000 2.978 206 T HA 0.163 4.513 4.350 0.002 0.000 0.248 206 T C 0.304 175.003 174.700 -0.002 0.000 1.018 206 T CA 0.862 62.968 62.100 0.011 0.000 1.026 206 T CB 0.165 69.046 68.868 0.021 0.000 1.032 206 T HN 0.310 nan 8.240 nan 0.000 0.485 207 D N 0.623 121.015 120.400 -0.013 0.000 3.012 207 D HA -0.125 4.516 4.640 0.002 0.000 0.222 207 D C 0.131 176.410 176.300 -0.035 0.000 1.167 207 D CA 0.531 54.515 54.000 -0.027 0.000 0.854 207 D CB -1.763 39.027 40.800 -0.018 0.000 1.107 207 D HN 0.515 nan 8.370 nan 0.000 0.421 208 V N 0.631 120.526 119.914 -0.032 0.000 2.924 208 V HA 0.226 4.347 4.120 0.002 0.000 0.305 208 V C 0.738 176.794 176.094 -0.063 0.000 1.073 208 V CA -0.253 62.027 62.300 -0.033 0.000 1.098 208 V CB 1.484 33.298 31.823 -0.015 0.000 1.000 208 V HN 0.235 nan 8.190 nan 0.000 0.484 209 M N 6.096 125.664 119.600 -0.053 0.000 2.146 209 M HA 0.309 4.790 4.480 0.002 0.000 0.357 209 M C 0.394 176.656 176.300 -0.063 0.000 1.261 209 M CA -0.237 55.021 55.300 -0.070 0.000 1.106 209 M CB 0.855 33.431 32.600 -0.040 0.000 1.612 209 M HN 0.618 nan 8.290 nan 0.000 0.470 210 I N 3.260 123.770 120.570 -0.100 0.000 2.286 210 I HA 0.018 4.189 4.170 0.002 0.000 0.245 210 I C 1.344 177.474 176.117 0.021 0.000 1.104 210 I CA 0.583 61.857 61.300 -0.043 0.000 1.397 210 I CB -1.665 36.300 38.000 -0.059 0.000 1.072 210 I HN 0.820 nan 8.210 nan 0.000 0.417 211 A N 0.849 123.692 122.820 0.038 0.000 2.567 211 A HA 0.317 4.638 4.320 0.002 0.000 0.240 211 A C 1.553 179.157 177.584 0.032 0.000 1.053 211 A CA 0.889 52.963 52.037 0.062 0.000 0.755 211 A CB -0.562 18.479 19.000 0.068 0.000 0.978 211 A HN 0.837 nan 8.150 nan 0.000 0.507 212 G N 1.589 110.409 108.800 0.033 0.000 2.168 212 G HA2 -0.226 3.735 3.960 0.002 0.000 0.263 212 G HA3 -0.226 3.735 3.960 0.002 0.000 0.263 212 G C 0.270 175.174 174.900 0.007 0.000 0.977 212 G CA 0.852 45.963 45.100 0.018 0.000 0.659 212 G HN 0.814 nan 8.290 nan 0.000 0.533 213 K N -0.378 120.024 120.400 0.003 0.000 2.139 213 K HA 0.639 4.960 4.320 0.002 0.000 0.243 213 K C -0.131 176.450 176.600 -0.031 0.000 0.983 213 K CA -0.826 55.451 56.287 -0.016 0.000 0.890 213 K CB 2.478 34.966 32.500 -0.021 0.000 1.090 213 K HN 0.017 nan 8.250 nan 0.000 0.445 214 V N 1.834 121.710 119.914 -0.064 0.000 2.333 214 V HA 0.261 4.382 4.120 0.002 0.000 0.274 214 V C -0.202 175.788 176.094 -0.174 0.000 1.028 214 V CA -0.686 61.557 62.300 -0.095 0.000 0.851 214 V CB 0.844 32.608 31.823 -0.099 0.000 1.000 214 V HN 0.802 nan 8.190 nan 0.000 0.456 215 A N 5.534 128.266 122.820 -0.146 0.000 2.276 215 A HA 0.764 5.085 4.320 0.002 0.000 0.316 215 A C -0.512 176.932 177.584 -0.234 0.000 1.229 215 A CA -0.454 51.466 52.037 -0.195 0.000 0.851 215 A CB 1.098 20.042 19.000 -0.092 0.000 1.165 215 A HN 0.609 nan 8.150 nan 0.000 0.513 216 V N 3.820 123.512 119.914 -0.370 0.000 2.370 216 V HA 0.353 4.474 4.120 0.002 0.000 0.279 216 V C -0.234 175.774 176.094 -0.145 0.000 1.029 216 V CA -0.387 61.744 62.300 -0.281 0.000 0.870 216 V CB 1.280 32.865 31.823 -0.396 0.000 0.984 216 V HN 0.607 nan 8.190 nan 0.000 0.451 217 V N 4.493 124.346 119.914 -0.102 0.000 2.384 217 V HA 0.672 4.793 4.120 0.002 0.000 0.287 217 V C 0.469 176.544 176.094 -0.031 0.000 1.020 217 V CA -0.604 61.662 62.300 -0.056 0.000 0.850 217 V CB 1.709 33.487 31.823 -0.075 0.000 0.987 217 V HN 0.944 nan 8.190 nan 0.000 0.436 218 A N 4.120 126.937 122.820 -0.004 0.000 2.269 218 A HA 0.792 5.113 4.320 0.002 0.000 0.302 218 A C 0.669 178.262 177.584 0.016 0.000 1.266 218 A CA 0.354 52.391 52.037 -0.000 0.000 0.894 218 A CB 0.007 19.005 19.000 -0.003 0.000 1.147 218 A HN 2.051 nan 8.150 nan 0.000 0.537 219 G N 0.633 109.451 108.800 0.030 0.000 3.039 219 G HA2 -0.083 3.878 3.960 0.002 0.000 0.686 219 G HA3 -0.083 3.878 3.960 0.002 0.000 0.686 219 G C -0.580 174.374 174.900 0.089 0.000 1.066 219 G CA -0.076 45.054 45.100 0.050 0.000 0.774 219 G HN 1.518 nan 8.290 nan 0.000 0.591 220 Y N 2.914 123.186 120.300 -0.048 0.000 2.734 220 Y HA 0.504 5.056 4.550 0.002 0.000 0.278 220 Y C 1.455 177.329 175.900 -0.043 0.000 1.108 220 Y CA 0.304 58.367 58.100 -0.061 0.000 1.211 220 Y CB -0.046 38.380 38.460 -0.055 0.000 1.182 220 Y HN 0.922 nan 8.280 nan 0.000 0.547 221 G N 0.037 108.764 108.800 -0.122 0.000 2.468 221 G HA2 -0.058 3.903 3.960 0.002 0.000 0.264 221 G HA3 -0.058 3.903 3.960 0.002 0.000 0.264 221 G C 0.705 175.452 174.900 -0.254 0.000 1.460 221 G CA 0.170 45.185 45.100 -0.142 0.000 1.060 221 G HN 0.259 nan 8.290 nan 0.000 0.543 222 D N -1.128 119.160 120.400 -0.186 0.000 2.117 222 D HA -0.130 4.511 4.640 0.002 0.000 0.197 222 D C 2.734 178.905 176.300 -0.215 0.000 0.987 222 D CA 0.968 54.835 54.000 -0.222 0.000 0.829 222 D CB -0.228 40.473 40.800 -0.165 0.000 0.961 222 D HN 0.063 nan 8.370 nan 0.000 0.460 223 V N 1.064 120.895 119.914 -0.139 0.000 2.307 223 V HA -0.137 3.984 4.120 0.002 0.000 0.245 223 V C 2.627 178.646 176.094 -0.125 0.000 1.045 223 V CA 1.998 64.240 62.300 -0.097 0.000 1.024 223 V CB -1.033 30.771 31.823 -0.032 0.000 0.651 223 V HN 0.216 nan 8.190 nan 0.000 0.449 224 G N -0.409 108.303 108.800 -0.146 0.000 2.422 224 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 224 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 224 G C 1.672 176.413 174.900 -0.265 0.000 1.146 224 G CA 0.841 45.854 45.100 -0.145 0.000 0.769 224 G HN 0.463 nan 8.290 nan 0.000 0.547 225 K N 0.037 120.134 120.400 -0.505 0.000 2.026 225 K HA -0.056 4.265 4.320 0.002 0.000 0.208 225 K C 2.770 179.226 176.600 -0.240 0.000 1.048 225 K CA 1.052 56.984 56.287 -0.591 0.000 0.929 225 K CB -0.398 31.729 32.500 -0.622 0.000 0.713 225 K HN 0.280 nan 8.250 nan 0.000 0.439 226 G N 0.739 109.413 108.800 -0.211 0.000 2.402 226 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 226 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 226 G C 1.629 176.493 174.900 -0.059 0.000 1.162 226 G CA 0.903 45.923 45.100 -0.132 0.000 0.777 226 G HN 0.315 nan 8.290 nan 0.000 0.539 227 C N 0.934 120.199 119.300 -0.058 0.000 2.446 227 C HA 0.237 4.698 4.460 0.002 0.000 0.277 227 C C 3.532 178.517 174.990 -0.009 0.000 1.275 227 C CA 0.681 59.690 59.018 -0.016 0.000 1.727 227 C CB -0.921 26.810 27.740 -0.015 0.000 2.010 227 C HN 0.556 nan 8.230 nan 0.000 0.486 228 A N -0.067 122.724 122.820 -0.047 0.000 1.908 228 A HA -0.293 4.028 4.320 0.002 0.000 0.218 228 A C 2.151 179.779 177.584 0.074 0.000 1.181 228 A CA 2.047 54.032 52.037 -0.088 0.000 0.627 228 A CB -0.756 18.086 19.000 -0.263 0.000 0.818 228 A HN 0.732 nan 8.150 nan 0.000 0.445 229 Q N -0.883 118.982 119.800 0.107 0.000 2.079 229 Q HA -0.068 4.273 4.340 0.002 0.000 0.200 229 Q C 2.276 178.314 176.000 0.065 0.000 0.974 229 Q CA 1.309 57.191 55.803 0.132 0.000 0.840 229 Q CB -0.316 28.472 28.738 0.084 0.000 0.898 229 Q HN 0.633 nan 8.270 nan 0.000 0.430 230 A N 0.682 123.531 122.820 0.048 0.000 1.865 230 A HA -0.192 4.129 4.320 0.002 0.000 0.217 230 A C 2.015 179.670 177.584 0.118 0.000 1.191 230 A CA 1.396 53.466 52.037 0.055 0.000 0.623 230 A CB -0.813 18.245 19.000 0.097 0.000 0.826 230 A HN 0.421 nan 8.150 nan 0.000 0.444 231 L N -1.253 120.053 121.223 0.139 0.000 2.046 231 L HA -0.153 4.188 4.340 0.002 0.000 0.208 231 L C 2.814 179.776 176.870 0.154 0.000 1.077 231 L CA 1.467 56.410 54.840 0.172 0.000 0.747 231 L CB -0.548 41.566 42.059 0.092 0.000 0.896 231 L HN 0.369 nan 8.230 nan 0.000 0.432 232 R N 0.640 121.218 120.500 0.130 0.000 2.083 232 R HA -0.149 4.192 4.340 0.002 0.000 0.237 232 R C 2.189 178.519 176.300 0.050 0.000 1.137 232 R CA 1.667 57.843 56.100 0.127 0.000 0.951 232 R CB -0.678 29.740 30.300 0.198 0.000 0.851 232 R HN 0.442 nan 8.270 nan 0.000 0.434 233 G N -0.714 108.068 108.800 -0.029 0.000 2.498 233 G HA2 -0.219 3.742 3.960 0.002 0.000 0.219 233 G HA3 -0.219 3.742 3.960 0.002 0.000 0.219 233 G C 0.947 175.703 174.900 -0.240 0.000 1.119 233 G CA 0.294 45.292 45.100 -0.170 0.000 0.766 233 G HN 0.265 nan 8.290 nan 0.000 0.552 234 F N -0.057 119.909 119.950 0.026 0.000 2.749 234 F HA 0.359 4.886 4.527 0.001 0.000 0.300 234 F C 1.924 177.733 175.800 0.015 0.000 1.103 234 F CA 0.129 58.141 58.000 0.019 0.000 1.342 234 F CB 0.723 39.733 39.000 0.017 0.000 1.098 234 F HN 0.237 nan 8.300 nan 0.000 0.586 235 G N 0.010 108.907 108.800 0.162 0.000 2.148 235 G HA2 0.041 4.002 3.960 0.002 0.000 0.157 235 G HA3 0.041 4.002 3.960 0.002 0.000 0.157 235 G C 0.133 175.085 174.900 0.087 0.000 1.012 235 G CA -0.273 44.889 45.100 0.103 0.000 0.677 235 G HN 0.538 nan 8.290 nan 0.000 0.506 236 A N -0.125 122.756 122.820 0.102 0.000 2.293 236 A HA 0.849 5.170 4.320 0.002 0.000 0.302 236 A C 0.507 178.126 177.584 0.059 0.000 1.119 236 A CA -0.001 52.076 52.037 0.067 0.000 0.823 236 A CB 0.629 19.671 19.000 0.069 0.000 1.097 236 A HN 0.855 nan 8.150 nan 0.000 0.491 237 R N 1.968 122.487 120.500 0.032 0.000 2.204 237 R HA 0.483 4.824 4.340 0.002 0.000 0.341 237 R C -1.468 174.848 176.300 0.026 0.000 1.035 237 R CA -0.246 55.876 56.100 0.036 0.000 0.887 237 R CB 0.378 30.686 30.300 0.013 0.000 1.114 237 R HN 0.442 nan 8.270 nan 0.000 0.473 238 V N 7.011 126.973 119.914 0.081 0.000 2.461 238 V HA 0.300 4.421 4.120 0.002 0.000 0.275 238 V C 0.383 176.484 176.094 0.012 0.000 1.047 238 V CA -0.357 61.957 62.300 0.023 0.000 0.955 238 V CB 1.226 33.049 31.823 -0.000 0.000 0.988 238 V HN 0.706 nan 8.190 nan 0.000 0.471 239 I N 5.616 126.144 120.570 -0.071 0.000 2.441 239 I HA 0.485 4.656 4.170 0.002 0.000 0.295 239 I C -0.515 175.534 176.117 -0.114 0.000 0.994 239 I CA -0.417 60.844 61.300 -0.065 0.000 1.144 239 I CB 1.795 39.756 38.000 -0.066 0.000 1.314 239 I HN 0.346 nan 8.210 nan 0.000 0.445 240 I N 3.831 124.332 120.570 -0.114 0.000 2.648 240 I HA 0.449 4.620 4.170 0.002 0.000 0.304 240 I C 0.154 176.226 176.117 -0.075 0.000 1.009 240 I CA -0.451 60.772 61.300 -0.128 0.000 1.114 240 I CB 1.957 39.823 38.000 -0.223 0.000 1.293 240 I HN 0.544 nan 8.210 nan 0.000 0.449 241 T N 2.186 116.711 114.554 -0.048 0.000 2.861 241 T HA 0.696 5.047 4.350 0.002 0.000 0.287 241 T C -0.617 174.079 174.700 -0.007 0.000 1.003 241 T CA -0.527 61.555 62.100 -0.031 0.000 0.977 241 T CB 2.717 71.564 68.868 -0.035 0.000 0.996 241 T HN 0.588 nan 8.240 nan 0.000 0.448 242 E N 1.728 121.927 120.200 -0.001 0.000 2.412 242 E HA 0.373 4.724 4.350 0.002 0.000 0.279 242 E C 0.406 177.015 176.600 0.015 0.000 0.984 242 E CA -0.581 55.831 56.400 0.020 0.000 0.788 242 E CB 2.137 31.857 29.700 0.034 0.000 1.277 242 E HN 0.841 nan 8.360 nan 0.000 0.455 243 I N -2.722 117.862 120.570 0.024 0.000 4.139 243 I HA 0.362 4.533 4.170 0.002 0.000 0.320 243 I C 0.612 176.741 176.117 0.021 0.000 1.290 243 I CA -0.111 61.201 61.300 0.020 0.000 1.253 243 I CB 0.639 38.653 38.000 0.024 0.000 1.122 243 I HN 0.079 nan 8.210 nan 0.000 0.421 244 D N 3.607 124.024 120.400 0.028 0.000 2.295 244 D HA 0.207 4.848 4.640 0.002 0.000 0.248 244 D C -1.533 174.782 176.300 0.024 0.000 1.154 244 D CA -2.174 51.843 54.000 0.027 0.000 0.857 244 D CB 1.985 42.807 40.800 0.036 0.000 1.117 244 D HN 0.021 nan 8.370 nan 0.000 0.468 245 P HA -0.082 nan 4.420 nan 0.000 0.218 245 P C 1.808 179.116 177.300 0.014 0.000 1.149 245 P CA 0.731 63.838 63.100 0.010 0.000 0.817 245 P CB 0.616 32.319 31.700 0.006 0.000 0.785 246 I N 0.273 120.856 120.570 0.021 0.000 2.163 246 I HA -0.190 3.980 4.170 0.002 0.000 0.240 246 I C 2.353 178.501 176.117 0.052 0.000 1.081 246 I CA 1.278 62.594 61.300 0.027 0.000 1.353 246 I CB -0.843 37.170 38.000 0.022 0.000 1.054 246 I HN -0.063 nan 8.210 nan 0.000 0.407 247 N N 1.140 119.884 118.700 0.074 0.000 2.289 247 N HA -0.143 4.598 4.740 0.002 0.000 0.184 247 N C 1.878 177.461 175.510 0.120 0.000 1.016 247 N CA 1.424 54.566 53.050 0.152 0.000 0.872 247 N CB -0.072 38.507 38.487 0.154 0.000 0.973 247 N HN 0.367 nan 8.380 nan 0.000 0.433 248 A N 1.302 124.146 122.820 0.039 0.000 1.897 248 A HA -0.061 4.259 4.320 0.002 0.000 0.215 248 A C 2.183 179.739 177.584 -0.047 0.000 1.181 248 A CA 0.704 52.727 52.037 -0.023 0.000 0.620 248 A CB -0.539 18.453 19.000 -0.013 0.000 0.821 248 A HN 0.145 nan 8.150 nan 0.000 0.443 249 L N 0.178 121.393 121.223 -0.013 0.000 2.083 249 L HA -0.178 4.163 4.340 0.002 0.000 0.209 249 L C 2.499 179.359 176.870 -0.017 0.000 1.083 249 L CA 2.005 56.836 54.840 -0.016 0.000 0.752 249 L CB -0.776 41.282 42.059 -0.002 0.000 0.899 249 L HN 0.503 nan 8.230 nan 0.000 0.433 250 Q N -0.992 118.820 119.800 0.019 0.000 2.050 250 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 250 Q C 2.269 178.251 176.000 -0.031 0.000 0.980 250 Q CA 1.629 57.473 55.803 0.068 0.000 0.840 250 Q CB -0.415 28.460 28.738 0.229 0.000 0.898 250 Q HN 0.634 nan 8.270 nan 0.000 0.424 251 A N 1.467 124.105 122.820 -0.304 0.000 1.883 251 A HA -0.194 4.127 4.320 0.002 0.000 0.217 251 A C 2.359 179.862 177.584 -0.135 0.000 1.186 251 A CA 1.839 53.559 52.037 -0.528 0.000 0.624 251 A CB -0.909 17.628 19.000 -0.771 0.000 0.822 251 A HN 0.414 nan 8.150 nan 0.000 0.444 252 A N -0.962 121.790 122.820 -0.112 0.000 1.902 252 A HA -0.129 4.192 4.320 0.002 0.000 0.217 252 A C 2.072 179.609 177.584 -0.079 0.000 1.181 252 A CA 2.000 53.993 52.037 -0.073 0.000 0.623 252 A CB -0.487 18.480 19.000 -0.055 0.000 0.818 252 A HN 0.428 nan 8.150 nan 0.000 0.443 253 M N -0.052 119.511 119.600 -0.062 0.000 2.539 253 M HA -0.037 4.444 4.480 0.002 0.000 0.261 253 M C 0.835 177.084 176.300 -0.085 0.000 1.069 253 M CA 0.905 56.172 55.300 -0.055 0.000 1.081 253 M CB -0.991 31.594 32.600 -0.024 0.000 1.412 253 M HN 0.340 nan 8.290 nan 0.000 0.482 254 E N -0.486 119.636 120.200 -0.130 0.000 2.481 254 E HA 0.278 4.629 4.350 0.002 0.000 0.198 254 E C 1.224 177.543 176.600 -0.467 0.000 1.027 254 E CA 0.409 56.662 56.400 -0.246 0.000 0.900 254 E CB 0.164 29.754 29.700 -0.184 0.000 0.993 254 E HN 0.565 nan 8.360 nan 0.000 0.482 255 G N 1.275 109.882 108.800 -0.320 0.000 2.136 255 G HA2 -0.276 3.685 3.960 0.002 0.000 0.242 255 G HA3 -0.276 3.685 3.960 0.002 0.000 0.242 255 G C -0.406 174.322 174.900 -0.286 0.000 0.989 255 G CA -0.110 44.817 45.100 -0.289 0.000 0.682 255 G HN 0.156 nan 8.290 nan 0.000 0.522 256 Y N 0.635 120.870 120.300 -0.108 0.000 2.330 256 Y HA 0.532 5.083 4.550 0.001 0.000 0.336 256 Y C 0.696 176.527 175.900 -0.115 0.000 1.036 256 Y CA -1.289 56.740 58.100 -0.118 0.000 1.125 256 Y CB 1.061 39.411 38.460 -0.184 0.000 1.194 256 Y HN 0.348 nan 8.280 nan 0.000 0.469 257 E N 2.330 122.579 120.200 0.081 0.000 2.360 257 E HA 0.395 4.746 4.350 0.002 0.000 0.269 257 E C -1.480 175.117 176.600 -0.006 0.000 1.022 257 E CA -0.318 56.092 56.400 0.017 0.000 0.887 257 E CB 0.711 30.415 29.700 0.007 0.000 0.990 257 E HN 0.443 nan 8.360 nan 0.000 0.426 258 V N 5.310 125.209 119.914 -0.025 0.000 2.376 258 V HA 0.336 4.457 4.120 0.002 0.000 0.287 258 V C -0.162 175.915 176.094 -0.029 0.000 1.015 258 V CA -0.452 61.823 62.300 -0.041 0.000 0.834 258 V CB 1.229 33.019 31.823 -0.055 0.000 1.001 258 V HN 0.893 nan 8.190 nan 0.000 0.428 259 T N 1.111 115.648 114.554 -0.028 0.000 2.693 259 T HA 0.588 4.939 4.350 0.002 0.000 0.278 259 T C 0.074 174.762 174.700 -0.020 0.000 0.994 259 T CA -0.657 61.432 62.100 -0.019 0.000 1.033 259 T CB 1.809 70.669 68.868 -0.013 0.000 1.342 259 T HN 0.648 nan 8.240 nan 0.000 0.538 260 T N -0.943 113.603 114.554 -0.013 0.000 2.922 260 T HA 0.417 4.768 4.350 0.002 0.000 0.285 260 T C 1.166 175.848 174.700 -0.029 0.000 1.005 260 T CA -0.753 61.338 62.100 -0.014 0.000 1.061 260 T CB 0.987 69.857 68.868 0.003 0.000 1.007 260 T HN 0.477 nan 8.240 nan 0.000 0.502 261 M N 1.068 120.626 119.600 -0.070 0.000 2.213 261 M HA -0.035 4.446 4.480 0.002 0.000 0.263 261 M C 1.225 177.453 176.300 -0.121 0.000 1.062 261 M CA 1.610 56.802 55.300 -0.180 0.000 1.105 261 M CB -1.109 31.245 32.600 -0.410 0.000 1.385 261 M HN 0.706 nan 8.290 nan 0.000 0.417 262 D N 0.096 120.518 120.400 0.036 0.000 2.182 262 D HA -0.158 4.483 4.640 0.002 0.000 0.201 262 D C 1.918 178.262 176.300 0.075 0.000 0.986 262 D CA 1.213 55.293 54.000 0.135 0.000 0.847 262 D CB -0.096 40.759 40.800 0.092 0.000 0.942 262 D HN 0.463 nan 8.370 nan 0.000 0.467 263 E N -0.009 120.214 120.200 0.037 0.000 2.127 263 E HA 0.127 4.478 4.350 0.002 0.000 0.191 263 E C 2.086 178.708 176.600 0.037 0.000 0.964 263 E CA 0.523 56.943 56.400 0.032 0.000 0.832 263 E CB -0.263 29.448 29.700 0.018 0.000 0.790 263 E HN 0.159 nan 8.360 nan 0.000 0.465 264 A N 1.617 124.452 122.820 0.025 0.000 1.972 264 A HA -0.180 4.141 4.320 0.002 0.000 0.219 264 A C 2.580 180.242 177.584 0.129 0.000 1.169 264 A CA 1.542 53.602 52.037 0.039 0.000 0.635 264 A CB -1.140 17.864 19.000 0.007 0.000 0.810 264 A HN 0.497 nan 8.150 nan 0.000 0.446 265 C N 0.051 119.436 119.300 0.143 0.000 2.403 265 C HA -0.098 4.363 4.460 0.002 0.000 0.279 265 C C 2.233 177.355 174.990 0.221 0.000 1.269 265 C CA 1.186 60.332 59.018 0.213 0.000 1.774 265 C CB -1.313 26.428 27.740 0.002 0.000 1.993 265 C HN 0.600 nan 8.230 nan 0.000 0.496 266 K N 0.839 121.322 120.400 0.138 0.000 2.432 266 K HA 0.028 4.349 4.320 0.002 0.000 0.196 266 K C 1.818 178.488 176.600 0.118 0.000 1.038 266 K CA 0.967 57.326 56.287 0.120 0.000 0.986 266 K CB -0.116 32.432 32.500 0.080 0.000 0.782 266 K HN 0.665 nan 8.250 nan 0.000 0.485 267 E N 0.854 121.119 120.200 0.107 0.000 2.290 267 E HA 0.037 4.388 4.350 0.002 0.000 0.199 267 E C 0.842 177.445 176.600 0.005 0.000 0.912 267 E CA -0.151 56.279 56.400 0.050 0.000 0.924 267 E CB 0.466 30.175 29.700 0.014 0.000 0.901 267 E HN 0.243 nan 8.360 nan 0.000 0.487 268 G N 1.190 109.961 108.800 -0.047 0.000 2.474 268 G HA2 -0.102 3.859 3.960 0.002 0.000 0.233 268 G HA3 -0.102 3.859 3.960 0.002 0.000 0.233 268 G C 0.404 175.152 174.900 -0.254 0.000 1.278 268 G CA -0.154 44.687 45.100 -0.431 0.000 0.861 268 G HN 0.110 nan 8.290 nan 0.000 0.567 269 N N -0.158 118.362 118.700 -0.300 0.000 2.332 269 N HA 0.164 4.905 4.740 0.002 0.000 0.190 269 N C 0.186 175.646 175.510 -0.084 0.000 1.117 269 N CA 0.313 53.311 53.050 -0.086 0.000 0.883 269 N CB 0.743 39.194 38.487 -0.060 0.000 1.089 269 N HN 0.451 nan 8.380 nan 0.000 0.480 270 I N 0.548 120.938 120.570 -0.299 0.000 2.607 270 I HA 0.312 4.483 4.170 0.002 0.000 0.290 270 I C -1.519 174.357 176.117 -0.402 0.000 1.129 270 I CA -0.623 60.583 61.300 -0.156 0.000 1.042 270 I CB 1.968 39.922 38.000 -0.078 0.000 1.242 270 I HN -0.274 nan 8.210 nan 0.000 0.421 271 F N 5.480 125.430 119.950 0.000 0.000 2.482 271 F HA 0.664 5.192 4.527 0.001 0.000 0.331 271 F C -0.254 175.540 175.800 -0.009 0.000 1.115 271 F CA -0.958 57.027 58.000 -0.026 0.000 0.955 271 F CB 1.985 40.950 39.000 -0.058 0.000 1.136 271 F HN -0.068 nan 8.300 nan 0.000 0.452 272 V N 1.547 121.529 119.914 0.114 0.000 2.482 272 V HA 0.442 4.563 4.120 0.002 0.000 0.295 272 V C -0.461 175.670 176.094 0.062 0.000 1.026 272 V CA -0.990 61.358 62.300 0.079 0.000 0.856 272 V CB 1.839 33.685 31.823 0.038 0.000 1.001 272 V HN 0.806 nan 8.190 nan 0.000 0.424 273 T N -0.242 114.352 114.554 0.066 0.000 2.743 273 T HA 0.409 4.760 4.350 0.002 0.000 0.292 273 T C 0.694 175.423 174.700 0.047 0.000 0.972 273 T CA 0.161 62.289 62.100 0.047 0.000 0.967 273 T CB 1.185 70.080 68.868 0.045 0.000 0.926 273 T HN 0.861 nan 8.240 nan 0.000 0.459 274 T N -0.343 114.231 114.554 0.033 0.000 3.084 274 T HA 0.228 4.579 4.350 0.002 0.000 0.270 274 T C 0.717 175.436 174.700 0.032 0.000 1.008 274 T CA -0.328 61.789 62.100 0.029 0.000 0.900 274 T CB -0.155 68.716 68.868 0.005 0.000 1.084 274 T HN 0.565 nan 8.240 nan 0.000 0.538 275 T N 1.410 115.986 114.554 0.037 0.000 2.802 275 T HA 0.450 4.801 4.350 0.002 0.000 0.305 275 T C 1.351 176.085 174.700 0.057 0.000 1.053 275 T CA 0.313 62.439 62.100 0.042 0.000 1.058 275 T CB 0.682 69.573 68.868 0.037 0.000 0.988 275 T HN 0.422 nan 8.240 nan 0.000 0.539 276 G N -0.584 108.255 108.800 0.065 0.000 3.502 276 G HA2 0.380 4.341 3.960 0.002 0.000 0.267 276 G HA3 0.380 4.341 3.960 0.002 0.000 0.267 276 G C 0.336 175.281 174.900 0.075 0.000 1.090 276 G CA -0.145 45.001 45.100 0.077 0.000 0.795 276 G HN 0.962 nan 8.290 nan 0.000 0.535 277 C N -0.707 118.632 119.300 0.066 0.000 3.154 277 C HA 0.821 5.282 4.460 0.002 0.000 0.312 277 C C 0.661 175.678 174.990 0.046 0.000 1.349 277 C CA -0.769 58.282 59.018 0.055 0.000 1.518 277 C CB 1.199 28.969 27.740 0.051 0.000 1.934 277 C HN 0.466 nan 8.230 nan 0.000 0.462 278 V N 0.432 120.366 119.914 0.033 0.000 3.237 278 V HA 0.376 4.497 4.120 0.002 0.000 0.305 278 V C 0.156 176.264 176.094 0.023 0.000 1.096 278 V CA 0.589 62.904 62.300 0.025 0.000 1.130 278 V CB 0.164 31.994 31.823 0.012 0.000 1.048 278 V HN 1.082 nan 8.190 nan 0.000 0.484 279 D N 0.214 120.627 120.400 0.021 0.000 2.705 279 D HA -0.168 4.473 4.640 0.002 0.000 0.240 279 D C 0.564 176.875 176.300 0.018 0.000 1.137 279 D CA 0.784 54.796 54.000 0.019 0.000 0.677 279 D CB -0.718 40.092 40.800 0.016 0.000 1.049 279 D HN 0.516 nan 8.370 nan 0.000 0.427 280 I N -0.458 120.112 120.570 0.000 0.000 2.429 280 I HA 0.054 4.225 4.170 0.002 0.000 0.247 280 I C 1.511 177.567 176.117 -0.102 0.000 1.099 280 I CA 0.756 62.036 61.300 -0.035 0.000 1.422 280 I CB -0.063 37.918 38.000 -0.031 0.000 1.112 280 I HN 0.123 nan 8.210 nan 0.000 0.430 281 I N 2.435 122.930 120.570 -0.126 0.000 2.390 281 I HA 0.216 4.387 4.170 0.002 0.000 0.283 281 I C -0.705 175.273 176.117 -0.231 0.000 1.016 281 I CA -0.367 60.768 61.300 -0.274 0.000 1.151 281 I CB 1.481 39.170 38.000 -0.518 0.000 1.293 281 I HN -0.104 nan 8.210 nan 0.000 0.458 282 L N 4.220 125.415 121.223 -0.046 0.000 2.397 282 L HA 0.560 4.901 4.340 0.002 0.000 0.266 282 L C 1.668 178.191 176.870 -0.578 0.000 1.040 282 L CA -0.055 54.612 54.840 -0.288 0.000 0.800 282 L CB 0.709 42.576 42.059 -0.319 0.000 1.324 282 L HN 0.556 nan 8.230 nan 0.000 0.469 283 G N -0.074 108.228 108.800 -0.830 0.000 2.422 283 G HA2 -0.238 3.723 3.960 0.002 0.000 0.218 283 G HA3 -0.238 3.723 3.960 0.002 0.000 0.218 283 G C 1.471 175.823 174.900 -0.913 0.000 1.146 283 G CA 0.908 44.966 45.100 -1.736 0.000 0.769 283 G HN 0.729 nan 8.290 nan 0.000 0.547 284 R N -0.383 119.737 120.500 -0.633 0.000 2.159 284 R HA -0.061 4.280 4.340 0.002 0.000 0.237 284 R C 1.967 178.011 176.300 -0.426 0.000 1.131 284 R CA 1.844 57.675 56.100 -0.449 0.000 0.982 284 R CB -0.697 29.332 30.300 -0.451 0.000 0.868 284 R HN 0.542 nan 8.270 nan 0.000 0.453 285 H N -0.844 117.994 119.070 -0.387 0.000 2.370 285 H HA 0.082 4.640 4.556 0.003 0.000 0.304 285 H C 1.540 176.623 175.328 -0.408 0.000 1.055 285 H CA 1.191 56.996 56.048 -0.405 0.000 1.373 285 H CB -0.109 29.319 29.762 -0.557 0.000 1.423 285 H HN 0.042 nan 8.280 nan 0.000 0.533 286 F N 1.832 121.569 119.950 -0.355 0.000 2.115 286 F HA -0.210 4.317 4.527 0.001 0.000 0.300 286 F C 2.098 177.796 175.800 -0.169 0.000 1.092 286 F CA 1.525 59.322 58.000 -0.339 0.000 1.245 286 F CB -0.415 38.252 39.000 -0.554 0.000 0.995 286 F HN 0.249 nan 8.300 nan 0.000 0.481 287 E N -0.960 119.237 120.200 -0.004 0.000 2.338 287 E HA -0.227 4.124 4.350 0.002 0.000 0.197 287 E C 1.902 178.529 176.600 0.046 0.000 1.007 287 E CA 0.806 57.245 56.400 0.066 0.000 0.849 287 E CB -0.164 29.566 29.700 0.051 0.000 0.774 287 E HN 0.399 nan 8.360 nan 0.000 0.506 288 Q N -0.317 119.502 119.800 0.031 0.000 2.373 288 Q HA 0.133 4.474 4.340 0.002 0.000 0.210 288 Q C 0.352 176.432 176.000 0.134 0.000 0.913 288 Q CA 0.159 55.999 55.803 0.061 0.000 0.911 288 Q CB 0.396 29.159 28.738 0.042 0.000 1.040 288 Q HN 0.170 nan 8.270 nan 0.000 0.521 289 M N 1.850 121.525 119.600 0.124 0.000 2.235 289 M HA -0.062 4.419 4.480 0.002 0.000 0.336 289 M C 0.073 176.542 176.300 0.282 0.000 1.146 289 M CA 0.778 56.189 55.300 0.185 0.000 1.018 289 M CB 0.246 32.902 32.600 0.093 0.000 1.694 289 M HN -0.037 nan 8.290 nan 0.000 0.451 290 K N 1.481 122.006 120.400 0.208 0.000 2.336 290 K HA 0.023 4.344 4.320 0.002 0.000 0.262 290 K C -0.370 176.179 176.600 -0.086 0.000 0.992 290 K CA -0.395 55.925 56.287 0.056 0.000 0.927 290 K CB 0.202 32.735 32.500 0.054 0.000 0.956 290 K HN 0.513 nan 8.250 nan 0.000 0.495 291 D N 1.337 121.480 120.400 -0.430 0.000 2.525 291 D HA -0.091 4.550 4.640 0.002 0.000 0.235 291 D C -0.142 176.119 176.300 -0.065 0.000 1.137 291 D CA 0.879 54.682 54.000 -0.329 0.000 0.868 291 D CB 0.256 40.833 40.800 -0.371 0.000 1.180 291 D HN 0.491 nan 8.370 nan 0.000 0.465 292 D N 0.977 121.387 120.400 0.017 0.000 2.870 292 D HA -0.191 4.450 4.640 0.002 0.000 0.228 292 D C -0.735 175.623 176.300 0.098 0.000 1.147 292 D CA 0.974 55.010 54.000 0.061 0.000 0.757 292 D CB -1.272 39.548 40.800 0.032 0.000 1.091 292 D HN 0.527 nan 8.370 nan 0.000 0.429 293 A N 0.393 123.299 122.820 0.145 0.000 2.488 293 A HA 0.435 4.756 4.320 0.002 0.000 0.249 293 A C 0.764 178.491 177.584 0.239 0.000 1.083 293 A CA 0.011 52.186 52.037 0.230 0.000 0.768 293 A CB 0.352 19.561 19.000 0.350 0.000 1.017 293 A HN 0.333 nan 8.150 nan 0.000 0.496 294 I N 3.346 124.053 120.570 0.229 0.000 2.325 294 I HA 0.246 4.417 4.170 0.002 0.000 0.291 294 I C -0.460 175.823 176.117 0.276 0.000 1.019 294 I CA -0.211 61.210 61.300 0.202 0.000 1.302 294 I CB 1.244 39.322 38.000 0.130 0.000 1.401 294 I HN 0.296 nan 8.210 nan 0.000 0.485 295 V N 6.388 126.454 119.914 0.252 0.000 2.513 295 V HA 0.564 4.685 4.120 0.002 0.000 0.299 295 V C -0.159 176.052 176.094 0.196 0.000 1.035 295 V CA -0.457 61.993 62.300 0.250 0.000 0.889 295 V CB 1.609 33.569 31.823 0.228 0.000 0.988 295 V HN 1.002 nan 8.190 nan 0.000 0.440 296 C N 2.625 122.029 119.300 0.174 0.000 3.285 296 C HA 0.835 5.296 4.460 0.002 0.000 0.325 296 C C -0.981 174.085 174.990 0.125 0.000 1.304 296 C CA -1.009 58.094 59.018 0.143 0.000 1.319 296 C CB 1.198 29.012 27.740 0.123 0.000 1.640 296 C HN 0.883 nan 8.230 nan 0.000 0.477 297 N N -0.014 118.758 118.700 0.119 0.000 2.269 297 N HA 0.707 5.448 4.740 0.002 0.000 0.304 297 N C -0.618 174.954 175.510 0.103 0.000 1.072 297 N CA -0.737 52.377 53.050 0.106 0.000 0.802 297 N CB 1.815 40.369 38.487 0.111 0.000 1.348 297 N HN 0.934 nan 8.380 nan 0.000 0.484 298 I N 1.029 121.653 120.570 0.089 0.000 4.338 298 I HA 0.497 4.668 4.170 0.002 0.000 0.329 298 I C 0.542 176.708 176.117 0.082 0.000 1.378 298 I CA -0.311 61.040 61.300 0.085 0.000 1.170 298 I CB 0.145 38.191 38.000 0.076 0.000 1.206 298 I HN 0.651 nan 8.210 nan 0.000 0.432 299 G N -0.362 108.488 108.800 0.084 0.000 2.406 299 G HA2 -0.006 3.955 3.960 0.002 0.000 0.251 299 G HA3 -0.006 3.955 3.960 0.002 0.000 0.251 299 G C 0.623 175.590 174.900 0.111 0.000 1.271 299 G CA 0.083 45.234 45.100 0.084 0.000 0.859 299 G HN 0.374 nan 8.290 nan 0.000 0.540 300 H N 1.814 120.847 119.070 -0.061 0.000 2.383 300 H HA -0.196 4.361 4.556 0.002 0.000 0.286 300 H C 0.375 175.608 175.328 -0.158 0.000 1.126 300 H CA 1.377 57.324 56.048 -0.170 0.000 1.182 300 H CB -0.197 29.342 29.762 -0.372 0.000 1.352 300 H HN 0.331 nan 8.280 nan 0.000 0.480 301 F N -0.029 119.877 119.950 -0.072 0.000 2.457 301 F HA 0.187 4.715 4.527 0.001 0.000 0.330 301 F C 1.304 177.072 175.800 -0.054 0.000 1.069 301 F CA -0.837 57.063 58.000 -0.166 0.000 1.009 301 F CB 0.801 39.690 39.000 -0.185 0.000 1.276 301 F HN 0.164 nan 8.300 nan 0.000 0.492 302 D N -0.037 120.476 120.400 0.188 0.000 2.491 302 D HA 0.016 4.657 4.640 0.002 0.000 0.228 302 D C 0.768 177.106 176.300 0.062 0.000 1.183 302 D CA 0.276 54.338 54.000 0.104 0.000 0.827 302 D CB -0.422 40.421 40.800 0.073 0.000 0.989 302 D HN 0.291 nan 8.370 nan 0.000 0.494 303 V N -3.297 116.653 119.914 0.060 0.000 3.647 303 V HA 0.201 4.322 4.120 0.002 0.000 0.279 303 V C 1.534 177.656 176.094 0.046 0.000 1.314 303 V CA 0.162 62.476 62.300 0.024 0.000 1.125 303 V CB -0.307 31.505 31.823 -0.018 0.000 0.907 303 V HN -0.013 nan 8.190 nan 0.000 0.434 304 E N 1.207 121.447 120.200 0.066 0.000 2.170 304 E HA 0.244 4.595 4.350 0.002 0.000 0.191 304 E C 0.366 176.992 176.600 0.044 0.000 0.981 304 E CA 0.608 57.040 56.400 0.053 0.000 0.830 304 E CB 0.277 30.013 29.700 0.060 0.000 0.775 304 E HN 0.607 nan 8.360 nan 0.000 0.470 305 I N 1.645 122.258 120.570 0.072 0.000 2.412 305 I HA 0.108 4.279 4.170 0.002 0.000 0.296 305 I C -0.304 175.903 176.117 0.150 0.000 0.987 305 I CA -0.775 60.585 61.300 0.099 0.000 1.180 305 I CB 1.502 39.592 38.000 0.149 0.000 1.340 305 I HN -0.207 nan 8.210 nan 0.000 0.455 306 D N 5.541 126.069 120.400 0.214 0.000 2.483 306 D HA 0.156 4.797 4.640 0.002 0.000 0.220 306 D C 0.795 177.256 176.300 0.267 0.000 1.173 306 D CA -0.016 54.123 54.000 0.232 0.000 0.964 306 D CB 0.957 41.895 40.800 0.231 0.000 1.046 306 D HN 0.242 nan 8.370 nan 0.000 0.517 307 V N 3.634 123.640 119.914 0.154 0.000 2.591 307 V HA -0.205 3.916 4.120 0.002 0.000 0.249 307 V C 2.069 178.185 176.094 0.037 0.000 1.053 307 V CA 1.198 63.534 62.300 0.060 0.000 1.068 307 V CB -0.326 31.549 31.823 0.087 0.000 0.689 307 V HN 0.363 nan 8.190 nan 0.000 0.462 308 K N -0.024 120.426 120.400 0.084 0.000 2.044 308 K HA -0.256 4.065 4.320 0.002 0.000 0.210 308 K C 1.720 178.351 176.600 0.051 0.000 1.049 308 K CA 2.021 58.344 56.287 0.061 0.000 0.927 308 K CB -0.837 31.703 32.500 0.066 0.000 0.713 308 K HN 0.608 nan 8.250 nan 0.000 0.443 309 W N 1.398 122.655 121.300 -0.072 0.000 2.318 309 W HA -0.175 4.485 4.660 -0.000 0.000 0.313 309 W C 1.590 177.976 176.519 -0.222 0.000 1.221 309 W CA 1.477 58.764 57.345 -0.096 0.000 1.266 309 W CB -0.227 29.218 29.460 -0.025 0.000 1.150 309 W HN -0.000 nan 8.180 nan 0.000 0.496 310 L N 0.752 121.980 121.223 0.008 0.000 2.012 310 L HA -0.332 4.009 4.340 0.002 0.000 0.210 310 L C 2.294 178.950 176.870 -0.356 0.000 1.073 310 L CA 1.805 56.391 54.840 -0.424 0.000 0.748 310 L CB -0.978 40.457 42.059 -1.039 0.000 0.891 310 L HN 0.075 nan 8.230 nan 0.000 0.431 311 N N 0.096 118.706 118.700 -0.151 0.000 2.166 311 N HA -0.183 4.558 4.740 0.002 0.000 0.186 311 N C 1.380 176.836 175.510 -0.089 0.000 1.019 311 N CA 1.281 54.349 53.050 0.030 0.000 0.856 311 N CB -0.134 38.394 38.487 0.067 0.000 0.993 311 N HN 0.488 nan 8.380 nan 0.000 0.426 312 E N -0.553 119.521 120.200 -0.211 0.000 2.474 312 E HA 0.181 4.532 4.350 0.002 0.000 0.195 312 E C 0.570 176.917 176.600 -0.423 0.000 1.039 312 E CA -0.031 56.217 56.400 -0.253 0.000 0.881 312 E CB 0.324 29.901 29.700 -0.203 0.000 0.970 312 E HN 0.339 nan 8.360 nan 0.000 0.486 313 N N 0.298 118.609 118.700 -0.647 0.000 2.325 313 N HA 0.100 4.841 4.740 0.002 0.000 0.220 313 N C 0.228 175.446 175.510 -0.486 0.000 1.176 313 N CA 0.066 52.643 53.050 -0.788 0.000 0.861 313 N CB 0.854 38.283 38.487 -1.763 0.000 1.230 313 N HN -0.028 nan 8.380 nan 0.000 0.479 314 A N 1.265 123.875 122.820 -0.351 0.000 2.498 314 A HA 0.180 4.501 4.320 0.002 0.000 0.239 314 A C 1.612 179.162 177.584 -0.057 0.000 1.068 314 A CA -0.093 51.882 52.037 -0.103 0.000 0.766 314 A CB 0.525 19.590 19.000 0.107 0.000 1.003 314 A HN -0.026 nan 8.150 nan 0.000 0.497 315 V N 1.514 121.415 119.914 -0.020 0.000 2.407 315 V HA -0.093 4.028 4.120 0.002 0.000 0.248 315 V C 0.999 177.088 176.094 -0.009 0.000 1.055 315 V CA 2.487 64.777 62.300 -0.017 0.000 1.049 315 V CB -1.044 30.781 31.823 0.003 0.000 0.662 315 V HN 1.066 nan 8.190 nan 0.000 0.455 316 E N -0.992 119.215 120.200 0.011 0.000 2.388 316 E HA 0.463 4.814 4.350 0.002 0.000 0.281 316 E C -0.893 175.692 176.600 -0.025 0.000 1.046 316 E CA -0.974 55.420 56.400 -0.009 0.000 0.825 316 E CB 1.501 31.192 29.700 -0.016 0.000 1.243 316 E HN 0.137 nan 8.360 nan 0.000 0.438 317 K N 1.895 122.232 120.400 -0.106 0.000 2.345 317 K HA 0.582 4.903 4.320 0.002 0.000 0.255 317 K C -1.806 174.651 176.600 -0.239 0.000 0.934 317 K CA -0.798 55.308 56.287 -0.302 0.000 0.801 317 K CB 2.121 34.330 32.500 -0.484 0.000 1.137 317 K HN 0.368 nan 8.250 nan 0.000 0.424 318 V N 4.298 124.065 119.914 -0.245 0.000 2.483 318 V HA 0.239 4.360 4.120 0.002 0.000 0.297 318 V C -0.448 175.551 176.094 -0.157 0.000 1.027 318 V CA -1.083 61.126 62.300 -0.152 0.000 0.855 318 V CB 1.500 33.270 31.823 -0.088 0.000 0.995 318 V HN 0.907 nan 8.190 nan 0.000 0.424 319 N N 4.771 123.397 118.700 -0.124 0.000 2.470 319 N HA 0.141 4.882 4.740 0.002 0.000 0.268 319 N C 0.525 175.998 175.510 -0.061 0.000 1.136 319 N CA -0.459 52.534 53.050 -0.096 0.000 0.961 319 N CB 1.304 39.747 38.487 -0.074 0.000 1.067 319 N HN 0.532 nan 8.380 nan 0.000 0.468 320 I N 2.592 123.133 120.570 -0.048 0.000 2.480 320 I HA -0.044 4.127 4.170 0.002 0.000 0.251 320 I C 0.913 177.015 176.117 -0.025 0.000 1.124 320 I CA 1.328 62.610 61.300 -0.029 0.000 1.444 320 I CB -0.914 37.076 38.000 -0.017 0.000 1.098 320 I HN 0.701 nan 8.210 nan 0.000 0.428 321 K N -0.484 119.899 120.400 -0.029 0.000 2.755 321 K HA 0.357 4.678 4.320 0.002 0.000 0.294 321 K C -3.162 173.413 176.600 -0.040 0.000 1.060 321 K CA -1.381 54.890 56.287 -0.027 0.000 0.845 321 K CB 0.407 32.896 32.500 -0.018 0.000 1.539 321 K HN -0.384 nan 8.250 nan 0.000 0.379 322 P HA -0.013 nan 4.420 nan 0.000 0.261 322 P C -0.842 176.392 177.300 -0.110 0.000 1.173 322 P CA 0.750 63.801 63.100 -0.081 0.000 0.760 322 P CB 0.311 31.969 31.700 -0.070 0.000 0.783 323 Q N -0.637 119.063 119.800 -0.167 0.000 2.481 323 Q HA -0.141 4.200 4.340 0.002 0.000 0.258 323 Q C -0.809 175.160 176.000 -0.053 0.000 0.961 323 Q CA 1.011 56.714 55.803 -0.166 0.000 1.121 323 Q CB -2.112 26.498 28.738 -0.213 0.000 1.503 323 Q HN 0.282 nan 8.270 nan 0.000 0.544 324 V N 0.664 120.558 119.914 -0.034 0.000 2.532 324 V HA 0.468 4.589 4.120 0.002 0.000 0.294 324 V C -0.501 175.587 176.094 -0.010 0.000 1.036 324 V CA -0.862 61.439 62.300 0.001 0.000 0.876 324 V CB 2.119 33.942 31.823 0.000 0.000 1.012 324 V HN 0.070 nan 8.190 nan 0.000 0.432 325 D N 3.315 123.724 120.400 0.014 0.000 2.481 325 D HA 0.504 5.145 4.640 0.002 0.000 0.244 325 D C -0.504 175.784 176.300 -0.020 0.000 1.057 325 D CA -0.659 53.299 54.000 -0.069 0.000 0.848 325 D CB 3.049 43.755 40.800 -0.156 0.000 1.388 325 D HN 0.372 nan 8.370 nan 0.000 0.475 326 R N 2.216 122.654 120.500 -0.104 0.000 2.371 326 R HA 0.277 4.618 4.340 0.002 0.000 0.312 326 R C -1.129 175.143 176.300 -0.046 0.000 0.980 326 R CA -0.552 55.552 56.100 0.006 0.000 0.867 326 R CB 0.362 30.667 30.300 0.010 0.000 1.163 326 R HN 0.307 nan 8.270 nan 0.000 0.492 327 Y N 3.158 123.467 120.300 0.015 0.000 2.299 327 Y HA 0.277 4.828 4.550 0.002 0.000 0.326 327 Y C 0.053 175.967 175.900 0.024 0.000 1.164 327 Y CA -0.738 57.362 58.100 0.001 0.000 1.234 327 Y CB 1.111 39.555 38.460 -0.027 0.000 1.219 327 Y HN 0.409 nan 8.280 nan 0.000 0.497 328 L N 4.411 125.734 121.223 0.166 0.000 2.287 328 L HA 0.525 4.866 4.340 0.002 0.000 0.287 328 L C -1.294 175.647 176.870 0.117 0.000 1.022 328 L CA -0.335 54.579 54.840 0.123 0.000 0.814 328 L CB 0.395 42.497 42.059 0.072 0.000 1.217 328 L HN 0.538 nan 8.230 nan 0.000 0.420 329 L N 4.754 126.058 121.223 0.135 0.000 2.399 329 L HA 0.409 4.750 4.340 0.002 0.000 0.265 329 L C 1.328 178.243 176.870 0.075 0.000 1.089 329 L CA -0.774 54.135 54.840 0.115 0.000 0.802 329 L CB 1.085 43.250 42.059 0.178 0.000 1.180 329 L HN 0.687 nan 8.230 nan 0.000 0.454 330 K N 1.070 121.497 120.400 0.045 0.000 2.218 330 K HA -0.195 4.126 4.320 0.002 0.000 0.205 330 K C 1.400 178.011 176.600 0.019 0.000 1.046 330 K CA 1.674 57.974 56.287 0.023 0.000 0.933 330 K CB -0.198 32.307 32.500 0.009 0.000 0.728 330 K HN 0.639 nan 8.250 nan 0.000 0.454 331 N N -0.017 118.689 118.700 0.010 0.000 2.571 331 N HA -0.049 4.692 4.740 0.002 0.000 0.189 331 N C 0.975 176.459 175.510 -0.044 0.000 1.154 331 N CA 1.147 54.160 53.050 -0.063 0.000 0.907 331 N CB 0.136 38.518 38.487 -0.176 0.000 0.977 331 N HN 0.255 nan 8.380 nan 0.000 0.449 332 G N -0.915 107.916 108.800 0.052 0.000 2.159 332 G HA2 -0.264 3.697 3.960 0.002 0.000 0.256 332 G HA3 -0.264 3.697 3.960 0.002 0.000 0.256 332 G C -0.488 174.566 174.900 0.258 0.000 0.977 332 G CA 0.130 45.303 45.100 0.121 0.000 0.652 332 G HN 0.665 nan 8.290 nan 0.000 0.531 333 H N -0.019 119.097 119.070 0.077 0.000 2.473 333 H HA 0.589 5.147 4.556 0.003 0.000 0.327 333 H C 0.440 175.829 175.328 0.101 0.000 1.105 333 H CA -0.938 55.163 56.048 0.088 0.000 1.280 333 H CB 0.977 30.798 29.762 0.099 0.000 1.450 333 H HN 0.094 nan 8.280 nan 0.000 0.492 334 R N 1.817 122.424 120.500 0.179 0.000 2.500 334 R HA 0.385 4.726 4.340 0.002 0.000 0.277 334 R C -0.667 175.733 176.300 0.166 0.000 1.026 334 R CA -0.448 55.743 56.100 0.151 0.000 1.058 334 R CB 0.754 31.114 30.300 0.099 0.000 1.078 334 R HN 0.476 nan 8.270 nan 0.000 0.509 335 I N 3.445 124.132 120.570 0.194 0.000 2.512 335 I HA 0.306 4.477 4.170 0.002 0.000 0.287 335 I C -0.508 175.750 176.117 0.236 0.000 1.069 335 I CA -0.505 60.920 61.300 0.208 0.000 1.056 335 I CB 1.717 39.828 38.000 0.184 0.000 1.229 335 I HN 0.543 nan 8.210 nan 0.000 0.429 336 I N 6.274 126.965 120.570 0.201 0.000 2.291 336 I HA 0.258 4.429 4.170 0.002 0.000 0.290 336 I C 0.055 176.298 176.117 0.209 0.000 1.050 336 I CA -0.242 61.170 61.300 0.186 0.000 1.245 336 I CB 1.064 39.141 38.000 0.129 0.000 1.405 336 I HN 0.285 nan 8.210 nan 0.000 0.478 337 L N 7.524 128.901 121.223 0.257 0.000 2.312 337 L HA 0.525 4.866 4.340 0.002 0.000 0.281 337 L C -0.662 176.317 176.870 0.182 0.000 1.070 337 L CA -0.566 54.419 54.840 0.243 0.000 0.805 337 L CB 1.299 43.559 42.059 0.335 0.000 1.174 337 L HN 0.521 nan 8.230 nan 0.000 0.434 338 L N 4.640 125.957 121.223 0.156 0.000 2.329 338 L HA 0.439 4.780 4.340 0.002 0.000 0.279 338 L C 0.991 177.932 176.870 0.118 0.000 1.014 338 L CA -0.585 54.324 54.840 0.115 0.000 0.814 338 L CB 1.598 43.718 42.059 0.103 0.000 1.257 338 L HN 0.865 nan 8.230 nan 0.000 0.424 339 A N 2.258 125.122 122.820 0.074 0.000 2.799 339 A HA -0.260 4.061 4.320 0.002 0.000 0.287 339 A C 0.875 178.579 177.584 0.199 0.000 1.484 339 A CA 1.383 53.468 52.037 0.081 0.000 0.813 339 A CB -1.929 17.152 19.000 0.135 0.000 1.009 339 A HN 1.009 nan 8.150 nan 0.000 0.545 340 E N -3.640 116.668 120.200 0.180 0.000 2.539 340 E HA -0.202 4.149 4.350 0.002 0.000 0.253 340 E C 1.224 177.953 176.600 0.214 0.000 1.145 340 E CA 1.416 57.953 56.400 0.229 0.000 0.738 340 E CB -1.766 28.118 29.700 0.308 0.000 1.308 340 E HN 2.494 nan 8.360 nan 0.000 0.409 341 G N -0.543 108.371 108.800 0.191 0.000 2.143 341 G HA2 -0.363 3.598 3.960 0.002 0.000 0.249 341 G HA3 -0.363 3.598 3.960 0.002 0.000 0.249 341 G C 0.264 175.262 174.900 0.163 0.000 0.981 341 G CA 0.600 45.800 45.100 0.167 0.000 0.665 341 G HN 0.293 nan 8.290 nan 0.000 0.528 342 R N -1.211 119.409 120.500 0.200 0.000 2.705 342 R HA 0.677 5.018 4.340 0.002 0.000 0.246 342 R C 0.423 176.834 176.300 0.185 0.000 1.142 342 R CA -1.183 55.037 56.100 0.200 0.000 1.114 342 R CB 0.290 30.754 30.300 0.273 0.000 1.256 342 R HN 0.055 nan 8.270 nan 0.000 0.536 343 L N 1.684 123.014 121.223 0.177 0.000 2.700 343 L HA -0.123 4.218 4.340 0.002 0.000 0.276 343 L C 1.327 178.276 176.870 0.133 0.000 1.200 343 L CA 0.807 55.732 54.840 0.141 0.000 0.951 343 L CB 0.200 42.336 42.059 0.127 0.000 1.226 343 L HN 0.541 nan 8.230 nan 0.000 0.489 344 V N 4.866 124.847 119.914 0.112 0.000 2.379 344 V HA -0.215 3.906 4.120 0.002 0.000 0.245 344 V C 2.081 178.226 176.094 0.085 0.000 1.044 344 V CA 1.833 64.193 62.300 0.100 0.000 1.036 344 V CB -0.292 31.587 31.823 0.095 0.000 0.664 344 V HN 1.114 nan 8.190 nan 0.000 0.453 345 N N 0.593 119.340 118.700 0.079 0.000 2.120 345 N HA -0.181 4.560 4.740 0.002 0.000 0.188 345 N C 1.700 177.243 175.510 0.055 0.000 1.024 345 N CA 2.141 55.237 53.050 0.077 0.000 0.852 345 N CB -0.782 37.770 38.487 0.107 0.000 1.003 345 N HN 0.510 nan 8.380 nan 0.000 0.424 346 L N -0.525 120.715 121.223 0.028 0.000 2.375 346 L HA 0.222 4.563 4.340 0.002 0.000 0.215 346 L C 2.346 179.275 176.870 0.098 0.000 1.108 346 L CA 0.776 55.630 54.840 0.023 0.000 0.830 346 L CB -0.164 41.855 42.059 -0.066 0.000 0.959 346 L HN 0.343 nan 8.230 nan 0.000 0.457 347 G N -2.117 106.755 108.800 0.120 0.000 2.595 347 G HA2 -0.089 3.872 3.960 0.002 0.000 0.213 347 G HA3 -0.089 3.872 3.960 0.002 0.000 0.213 347 G C 1.177 176.113 174.900 0.060 0.000 1.141 347 G CA 0.325 45.508 45.100 0.140 0.000 0.806 347 G HN 0.371 nan 8.290 nan 0.000 0.530 348 C N 0.145 119.478 119.300 0.056 0.000 3.336 348 C HA 0.784 5.245 4.460 0.002 0.000 0.291 348 C C 1.223 176.239 174.990 0.044 0.000 1.363 348 C CA 0.062 59.101 59.018 0.035 0.000 1.737 348 C CB -0.628 27.134 27.740 0.037 0.000 2.274 348 C HN 0.579 nan 8.230 nan 0.000 0.663 349 A N -0.142 122.712 122.820 0.057 0.000 2.583 349 A HA 0.751 5.072 4.320 0.002 0.000 0.299 349 A C -0.084 177.541 177.584 0.068 0.000 1.258 349 A CA -0.192 51.882 52.037 0.062 0.000 0.682 349 A CB 0.311 19.352 19.000 0.068 0.000 1.332 349 A HN 0.023 nan 8.150 nan 0.000 0.485 350 M N 1.117 120.762 119.600 0.075 0.000 2.626 350 M HA 0.299 4.780 4.480 0.002 0.000 0.262 350 M C 0.972 177.315 176.300 0.070 0.000 1.256 350 M CA 0.902 56.249 55.300 0.078 0.000 0.981 350 M CB -1.136 31.517 32.600 0.090 0.000 1.492 350 M HN 1.522 nan 8.290 nan 0.000 0.474 351 G N 0.939 109.772 108.800 0.055 0.000 2.598 351 G HA2 -0.221 3.740 3.960 0.002 0.000 0.244 351 G HA3 -0.221 3.740 3.960 0.002 0.000 0.244 351 G C -0.566 174.414 174.900 0.134 0.000 1.302 351 G CA -0.509 44.600 45.100 0.015 0.000 0.903 351 G HN 0.645 nan 8.290 nan 0.000 0.575 352 H N 1.411 120.476 119.070 -0.009 0.000 2.690 352 H HA 0.363 4.919 4.556 0.001 0.000 0.365 352 H C -1.733 173.608 175.328 0.020 0.000 1.142 352 H CA -0.896 55.153 56.048 0.002 0.000 1.417 352 H CB 0.566 30.308 29.762 -0.033 0.000 1.446 352 H HN 0.350 nan 8.280 nan 0.000 0.599 353 P HA -0.023 nan 4.420 nan 0.000 0.271 353 P C 0.244 177.617 177.300 0.122 0.000 1.233 353 P CA -0.047 63.130 63.100 0.128 0.000 0.789 353 P CB 0.740 32.511 31.700 0.119 0.000 0.951 354 S N 0.085 115.860 115.700 0.124 0.000 2.356 354 S HA -0.176 4.295 4.470 0.002 0.000 0.223 354 S C 1.604 176.282 174.600 0.129 0.000 1.032 354 S CA 1.002 59.270 58.200 0.114 0.000 1.005 354 S CB -1.146 62.126 63.200 0.119 0.000 0.867 354 S HN 0.476 nan 8.310 nan 0.000 0.449 355 F N 2.099 122.072 119.950 0.039 0.000 2.091 355 F HA -0.174 4.354 4.527 0.001 0.000 0.299 355 F C 2.383 178.186 175.800 0.004 0.000 1.103 355 F CA 1.264 59.295 58.000 0.051 0.000 1.228 355 F CB -0.594 38.431 39.000 0.041 0.000 0.984 355 F HN 0.044 nan 8.300 nan 0.000 0.477 356 V N 0.104 120.059 119.914 0.068 0.000 2.453 356 V HA -0.245 3.876 4.120 0.002 0.000 0.247 356 V C 2.216 178.203 176.094 -0.179 0.000 1.048 356 V CA 1.512 63.776 62.300 -0.059 0.000 1.049 356 V CB -0.215 31.649 31.823 0.069 0.000 0.672 356 V HN 0.297 nan 8.190 nan 0.000 0.457 357 M N -0.513 118.981 119.600 -0.177 0.000 2.296 357 M HA -0.077 4.404 4.480 0.002 0.000 0.265 357 M C 2.435 178.457 176.300 -0.462 0.000 1.064 357 M CA 1.806 56.835 55.300 -0.452 0.000 1.109 357 M CB -1.644 30.694 32.600 -0.437 0.000 1.396 357 M HN 0.468 nan 8.290 nan 0.000 0.430 358 S N 0.525 116.106 115.700 -0.198 0.000 2.399 358 S HA -0.155 4.316 4.470 0.002 0.000 0.231 358 S C 1.720 176.290 174.600 -0.049 0.000 1.022 358 S CA 1.646 59.835 58.200 -0.018 0.000 0.983 358 S CB -0.103 63.146 63.200 0.082 0.000 0.803 358 S HN 0.479 nan 8.310 nan 0.000 0.480 359 N N 1.035 119.531 118.700 -0.341 0.000 2.039 359 N HA -0.019 4.722 4.740 0.002 0.000 0.193 359 N C 2.001 177.403 175.510 -0.180 0.000 1.044 359 N CA 1.857 54.658 53.050 -0.415 0.000 0.847 359 N CB -0.462 37.688 38.487 -0.561 0.000 1.030 359 N HN 0.351 nan 8.380 nan 0.000 0.422 360 S N 0.224 115.808 115.700 -0.194 0.000 2.348 360 S HA -0.078 4.393 4.470 0.002 0.000 0.221 360 S C 1.640 176.298 174.600 0.097 0.000 1.033 360 S CA 0.907 59.051 58.200 -0.094 0.000 1.010 360 S CB -0.512 62.567 63.200 -0.202 0.000 0.891 360 S HN 0.233 nan 8.310 nan 0.000 0.442 361 F N 2.276 122.231 119.950 0.008 0.000 2.216 361 F HA -0.043 4.485 4.527 0.002 0.000 0.300 361 F C 2.738 178.549 175.800 0.018 0.000 1.085 361 F CA 0.472 58.484 58.000 0.019 0.000 1.326 361 F CB -1.891 37.116 39.000 0.011 0.000 1.027 361 F HN 0.164 nan 8.300 nan 0.000 0.497 362 T N -0.276 114.398 114.554 0.201 0.000 2.777 362 T HA -0.152 4.199 4.350 0.002 0.000 0.266 362 T C 1.970 176.732 174.700 0.104 0.000 1.040 362 T CA 1.180 63.360 62.100 0.134 0.000 1.141 362 T CB -0.268 68.678 68.868 0.130 0.000 0.868 362 T HN 0.254 nan 8.240 nan 0.000 0.444 363 N N 0.789 119.544 118.700 0.091 0.000 2.166 363 N HA -0.092 4.649 4.740 0.002 0.000 0.186 363 N C 2.090 177.652 175.510 0.087 0.000 1.019 363 N CA 0.898 53.994 53.050 0.076 0.000 0.856 363 N CB -0.082 38.441 38.487 0.061 0.000 0.993 363 N HN 0.392 nan 8.380 nan 0.000 0.426 364 Q N 0.738 120.615 119.800 0.129 0.000 2.050 364 Q HA -0.068 4.273 4.340 0.002 0.000 0.202 364 Q C 2.329 178.364 176.000 0.058 0.000 0.980 364 Q CA 0.904 56.775 55.803 0.113 0.000 0.840 364 Q CB -0.459 28.388 28.738 0.182 0.000 0.898 364 Q HN 0.222 nan 8.270 nan 0.000 0.424 365 V N 1.086 121.035 119.914 0.058 0.000 2.407 365 V HA -0.275 3.846 4.120 0.002 0.000 0.248 365 V C 2.395 178.479 176.094 -0.016 0.000 1.055 365 V CA 1.643 63.950 62.300 0.012 0.000 1.049 365 V CB -0.593 31.244 31.823 0.022 0.000 0.662 365 V HN 0.337 nan 8.190 nan 0.000 0.455 366 M N -0.054 119.552 119.600 0.010 0.000 2.117 366 M HA -0.145 4.336 4.480 0.002 0.000 0.262 366 M C 2.382 178.677 176.300 -0.009 0.000 1.065 366 M CA 2.103 57.403 55.300 -0.000 0.000 1.114 366 M CB -0.558 32.067 32.600 0.042 0.000 1.361 366 M HN 0.406 nan 8.290 nan 0.000 0.408 367 A N -0.346 122.469 122.820 -0.008 0.000 1.930 367 A HA -0.156 4.165 4.320 0.002 0.000 0.217 367 A C 2.098 179.635 177.584 -0.077 0.000 1.175 367 A CA 1.184 53.189 52.037 -0.054 0.000 0.627 367 A CB -0.468 18.509 19.000 -0.038 0.000 0.815 367 A HN 0.426 nan 8.150 nan 0.000 0.443 368 Q N -0.300 119.472 119.800 -0.046 0.000 2.079 368 Q HA -0.077 4.264 4.340 0.002 0.000 0.200 368 Q C 2.077 178.072 176.000 -0.008 0.000 0.974 368 Q CA 1.379 57.157 55.803 -0.041 0.000 0.840 368 Q CB -0.359 28.347 28.738 -0.052 0.000 0.898 368 Q HN 0.783 nan 8.270 nan 0.000 0.430 369 I N 0.709 121.255 120.570 -0.041 0.000 2.353 369 I HA -0.207 3.964 4.170 0.002 0.000 0.248 369 I C 2.240 178.330 176.117 -0.046 0.000 1.119 369 I CA 0.736 62.005 61.300 -0.051 0.000 1.417 369 I CB -0.096 37.800 38.000 -0.174 0.000 1.078 369 I HN 0.090 nan 8.210 nan 0.000 0.421 370 E N 0.617 120.809 120.200 -0.013 0.000 2.017 370 E HA -0.177 4.174 4.350 0.002 0.000 0.193 370 E C 2.258 178.866 176.600 0.014 0.000 0.997 370 E CA 1.199 57.652 56.400 0.088 0.000 0.804 370 E CB -0.364 29.361 29.700 0.042 0.000 0.757 370 E HN 0.240 nan 8.360 nan 0.000 0.448 371 L N 0.298 121.424 121.223 -0.160 0.000 2.042 371 L HA -0.167 4.174 4.340 0.002 0.000 0.210 371 L C 2.172 179.077 176.870 0.058 0.000 1.076 371 L CA 1.470 56.238 54.840 -0.121 0.000 0.749 371 L CB -1.284 40.695 42.059 -0.133 0.000 0.893 371 L HN 0.380 nan 8.230 nan 0.000 0.432 372 W N -0.076 121.148 121.300 -0.128 0.000 2.444 372 W HA -0.187 4.474 4.660 0.002 0.000 0.308 372 W C 2.143 178.582 176.519 -0.132 0.000 1.183 372 W CA 1.586 58.860 57.345 -0.118 0.000 1.340 372 W CB -0.016 29.367 29.460 -0.129 0.000 1.138 372 W HN 0.075 nan 8.180 nan 0.000 0.510 373 T N -0.511 113.915 114.554 -0.213 0.000 2.812 373 T HA -0.143 4.207 4.350 0.002 0.000 0.264 373 T C -0.368 174.038 174.700 -0.491 0.000 1.042 373 T CA 1.212 63.037 62.100 -0.457 0.000 1.140 373 T CB -0.328 68.219 68.868 -0.535 0.000 0.870 373 T HN 0.116 nan 8.240 nan 0.000 0.445 374 H N 0.465 119.531 119.070 -0.005 0.000 2.418 374 H HA 0.251 4.808 4.556 0.002 0.000 0.238 374 H C -1.827 173.559 175.328 0.098 0.000 1.403 374 H CA -1.987 54.078 56.048 0.027 0.000 1.419 374 H CB 1.292 31.099 29.762 0.077 0.000 1.463 374 H HN 0.169 nan 8.280 nan 0.000 0.515 375 P HA -0.148 nan 4.420 nan 0.000 0.215 375 P C 0.735 178.086 177.300 0.084 0.000 1.157 375 P CA 1.047 64.192 63.100 0.074 0.000 0.859 375 P CB 0.578 32.243 31.700 -0.058 0.000 0.786 376 D N -0.191 120.220 120.400 0.019 0.000 2.403 376 D HA -0.116 4.525 4.640 0.002 0.000 0.227 376 D C 1.748 178.004 176.300 -0.074 0.000 0.995 376 D CA 0.702 54.692 54.000 -0.018 0.000 0.928 376 D CB -0.082 40.700 40.800 -0.029 0.000 0.887 376 D HN 0.319 nan 8.370 nan 0.000 0.529 377 K N 0.009 120.340 120.400 -0.115 0.000 2.361 377 K HA -0.045 4.275 4.320 0.002 0.000 0.196 377 K C -0.292 175.860 176.600 -0.747 0.000 1.039 377 K CA 0.275 56.317 56.287 -0.409 0.000 1.001 377 K CB 0.400 32.608 32.500 -0.487 0.000 0.795 377 K HN 0.082 nan 8.250 nan 0.000 0.495 378 Y N 2.033 122.224 120.300 -0.182 0.000 2.805 378 Y HA 0.303 4.854 4.550 0.002 0.000 0.339 378 Y C -2.278 173.582 175.900 -0.066 0.000 1.012 378 Y CA -2.776 55.118 58.100 -0.343 0.000 1.262 378 Y CB 0.939 39.200 38.460 -0.331 0.000 1.100 378 Y HN 0.061 nan 8.280 nan 0.000 0.559 379 P HA 0.038 nan 4.420 nan 0.000 0.273 379 P C -0.029 177.428 177.300 0.262 0.000 1.250 379 P CA -0.244 62.955 63.100 0.165 0.000 0.793 379 P CB 1.275 33.050 31.700 0.124 0.000 1.011 380 V N 0.648 120.655 119.914 0.154 0.000 2.509 380 V HA 0.384 4.505 4.120 0.002 0.000 0.297 380 V C 1.243 177.386 176.094 0.082 0.000 1.014 380 V CA 1.729 64.102 62.300 0.121 0.000 1.127 380 V CB -0.900 30.968 31.823 0.075 0.000 0.925 380 V HN 1.113 nan 8.190 nan 0.000 0.480 381 G N 3.335 112.146 108.800 0.020 0.000 2.359 381 G HA2 0.337 4.298 3.960 0.002 0.000 0.293 381 G HA3 0.337 4.298 3.960 0.002 0.000 0.293 381 G C -1.360 173.340 174.900 -0.333 0.000 1.300 381 G CA -0.106 44.903 45.100 -0.152 0.000 0.888 381 G HN 1.201 nan 8.290 nan 0.000 0.541 382 V N 0.590 120.230 119.914 -0.456 0.000 2.384 382 V HA 0.838 4.959 4.120 0.002 0.000 0.287 382 V C -0.242 175.485 176.094 -0.611 0.000 1.020 382 V CA -0.450 61.550 62.300 -0.501 0.000 0.850 382 V CB 0.440 31.886 31.823 -0.628 0.000 0.987 382 V HN 0.928 nan 8.190 nan 0.000 0.436 383 H N 5.546 124.525 119.070 -0.151 0.000 2.693 383 H HA 0.755 5.312 4.556 0.002 0.000 0.348 383 H C -1.111 174.113 175.328 -0.174 0.000 1.222 383 H CA -0.576 55.421 56.048 -0.086 0.000 1.270 383 H CB 1.243 31.138 29.762 0.222 0.000 1.798 383 H HN 0.617 nan 8.280 nan 0.000 0.592 384 F N -0.098 120.037 119.950 0.307 0.000 2.541 384 F HA 0.330 4.858 4.527 0.001 0.000 0.331 384 F C -0.406 175.519 175.800 0.208 0.000 1.057 384 F CA -1.007 57.118 58.000 0.209 0.000 0.975 384 F CB 0.904 40.012 39.000 0.180 0.000 1.246 384 F HN 0.176 nan 8.300 nan 0.000 0.484 385 L N 4.142 125.592 121.223 0.379 0.000 2.371 385 L HA 0.435 4.776 4.340 0.002 0.000 0.272 385 L C -1.962 175.033 176.870 0.209 0.000 1.124 385 L CA -2.302 52.688 54.840 0.249 0.000 0.816 385 L CB -0.084 42.077 42.059 0.170 0.000 1.129 385 L HN 0.330 nan 8.230 nan 0.000 0.448 386 P HA 0.014 nan 4.420 nan 0.000 0.269 386 P C 0.181 177.530 177.300 0.081 0.000 1.209 386 P CA -0.259 62.910 63.100 0.114 0.000 0.776 386 P CB 0.690 32.439 31.700 0.082 0.000 0.876 387 K N 1.630 122.067 120.400 0.061 0.000 2.113 387 K HA -0.210 4.111 4.320 0.002 0.000 0.208 387 K C 1.943 178.562 176.600 0.032 0.000 1.047 387 K CA 1.437 57.756 56.287 0.052 0.000 0.928 387 K CB -0.074 32.455 32.500 0.049 0.000 0.716 387 K HN 0.171 nan 8.250 nan 0.000 0.446 388 K N 0.798 121.204 120.400 0.010 0.000 2.074 388 K HA -0.135 4.186 4.320 0.002 0.000 0.209 388 K C 1.950 178.564 176.600 0.023 0.000 1.048 388 K CA 1.378 57.660 56.287 -0.007 0.000 0.926 388 K CB -0.334 32.156 32.500 -0.015 0.000 0.713 388 K HN 0.260 nan 8.250 nan 0.000 0.444 389 L N 0.358 121.608 121.223 0.045 0.000 2.156 389 L HA -0.155 4.186 4.340 0.002 0.000 0.208 389 L C 2.187 179.084 176.870 0.046 0.000 1.095 389 L CA 0.913 55.788 54.840 0.058 0.000 0.770 389 L CB -0.410 41.696 42.059 0.078 0.000 0.914 389 L HN 0.122 nan 8.230 nan 0.000 0.439 390 D N 0.611 121.035 120.400 0.040 0.000 2.097 390 D HA -0.192 4.449 4.640 0.002 0.000 0.195 390 D C 2.038 178.338 176.300 -0.000 0.000 0.989 390 D CA 1.333 55.340 54.000 0.012 0.000 0.827 390 D CB 0.163 40.971 40.800 0.013 0.000 0.966 390 D HN 0.365 nan 8.370 nan 0.000 0.456 391 E N 0.183 120.404 120.200 0.035 0.000 2.150 391 E HA -0.087 4.264 4.350 0.002 0.000 0.193 391 E C 2.096 178.732 176.600 0.060 0.000 0.985 391 E CA 0.779 57.220 56.400 0.068 0.000 0.814 391 E CB -0.047 29.723 29.700 0.117 0.000 0.752 391 E HN 0.231 nan 8.360 nan 0.000 0.466 392 A N 1.296 124.145 122.820 0.050 0.000 1.933 392 A HA -0.137 4.184 4.320 0.002 0.000 0.218 392 A C 2.526 180.140 177.584 0.051 0.000 1.175 392 A CA 1.099 53.168 52.037 0.054 0.000 0.628 392 A CB -0.631 18.404 19.000 0.057 0.000 0.814 392 A HN 0.116 nan 8.150 nan 0.000 0.444 393 V N -0.261 119.674 119.914 0.035 0.000 2.407 393 V HA -0.236 3.885 4.120 0.002 0.000 0.248 393 V C 2.994 179.117 176.094 0.048 0.000 1.055 393 V CA 1.924 64.248 62.300 0.040 0.000 1.049 393 V CB -1.155 30.655 31.823 -0.022 0.000 0.662 393 V HN 0.616 nan 8.190 nan 0.000 0.455 394 A N -0.864 121.930 122.820 -0.044 0.000 1.897 394 A HA -0.168 4.153 4.320 0.002 0.000 0.215 394 A C 2.301 179.917 177.584 0.054 0.000 1.181 394 A CA 1.384 53.368 52.037 -0.088 0.000 0.620 394 A CB -0.444 18.485 19.000 -0.119 0.000 0.821 394 A HN 0.454 nan 8.150 nan 0.000 0.443 395 E N 0.327 120.567 120.200 0.066 0.000 2.097 395 E HA -0.209 4.142 4.350 0.002 0.000 0.196 395 E C 2.195 178.828 176.600 0.056 0.000 1.000 395 E CA 1.300 57.744 56.400 0.073 0.000 0.804 395 E CB -0.312 29.432 29.700 0.074 0.000 0.740 395 E HN 0.501 nan 8.360 nan 0.000 0.454 396 A N 0.070 122.912 122.820 0.036 0.000 2.076 396 A HA -0.183 4.138 4.320 0.002 0.000 0.220 396 A C 1.454 178.913 177.584 -0.207 0.000 1.160 396 A CA 1.673 53.657 52.037 -0.088 0.000 0.653 396 A CB -0.623 18.284 19.000 -0.154 0.000 0.801 396 A HN 0.290 nan 8.150 nan 0.000 0.455 397 H N -1.952 117.095 119.070 -0.037 0.000 2.575 397 H HA 0.252 4.809 4.556 0.002 0.000 0.267 397 H C 1.428 176.852 175.328 0.161 0.000 0.966 397 H CA -0.020 56.043 56.048 0.024 0.000 1.165 397 H CB 0.185 29.833 29.762 -0.190 0.000 1.433 397 H HN 0.294 nan 8.280 nan 0.000 0.544 398 L N 0.348 121.677 121.223 0.177 0.000 2.017 398 L HA -0.048 4.293 4.340 0.002 0.000 0.208 398 L C 2.563 179.495 176.870 0.103 0.000 1.073 398 L CA 1.919 56.840 54.840 0.135 0.000 0.745 398 L CB -1.132 40.980 42.059 0.088 0.000 0.894 398 L HN 0.433 nan 8.230 nan 0.000 0.432 399 G N -0.843 108.001 108.800 0.074 0.000 2.491 399 G HA2 -0.399 3.562 3.960 0.002 0.000 0.218 399 G HA3 -0.399 3.562 3.960 0.002 0.000 0.218 399 G C 1.747 176.680 174.900 0.055 0.000 1.180 399 G CA 1.189 46.318 45.100 0.048 0.000 0.774 399 G HN 0.313 nan 8.290 nan 0.000 0.562 400 K N 0.327 120.781 120.400 0.091 0.000 2.113 400 K HA 0.012 4.333 4.320 0.002 0.000 0.208 400 K C 2.312 178.923 176.600 0.019 0.000 1.047 400 K CA 1.063 57.400 56.287 0.083 0.000 0.928 400 K CB -0.457 32.164 32.500 0.201 0.000 0.716 400 K HN 0.376 nan 8.250 nan 0.000 0.446 401 L N -0.245 120.998 121.223 0.033 0.000 2.554 401 L HA 0.100 4.441 4.340 0.002 0.000 0.226 401 L C 0.386 177.248 176.870 -0.013 0.000 1.137 401 L CA 0.391 55.211 54.840 -0.034 0.000 0.863 401 L CB -0.540 41.513 42.059 -0.011 0.000 0.985 401 L HN 0.412 nan 8.230 nan 0.000 0.451 402 N N -0.869 117.837 118.700 0.009 0.000 2.776 402 N HA -0.164 4.577 4.740 0.002 0.000 0.249 402 N C -0.268 175.248 175.510 0.010 0.000 1.111 402 N CA -0.050 53.004 53.050 0.006 0.000 0.711 402 N CB -0.597 37.886 38.487 -0.007 0.000 1.065 402 N HN 0.008 nan 8.380 nan 0.000 0.556 403 V N 1.072 121.000 119.914 0.024 0.000 2.614 403 V HA 0.137 4.258 4.120 0.002 0.000 0.291 403 V C 0.602 176.708 176.094 0.021 0.000 1.049 403 V CA 0.278 62.593 62.300 0.024 0.000 1.038 403 V CB 1.502 33.351 31.823 0.042 0.000 0.980 403 V HN 0.045 nan 8.190 nan 0.000 0.481 404 K N 5.241 125.648 120.400 0.012 0.000 2.404 404 K HA 0.412 4.733 4.320 0.002 0.000 0.257 404 K C -0.820 175.781 176.600 0.003 0.000 1.026 404 K CA -0.805 55.487 56.287 0.008 0.000 0.951 404 K CB 1.688 34.190 32.500 0.002 0.000 1.203 404 K HN 0.361 nan 8.250 nan 0.000 0.446 405 L N 1.922 123.148 121.223 0.005 0.000 2.436 405 L HA 0.160 4.501 4.340 0.002 0.000 0.265 405 L C 0.131 176.989 176.870 -0.021 0.000 1.168 405 L CA 0.675 55.509 54.840 -0.010 0.000 0.815 405 L CB 1.092 43.151 42.059 -0.001 0.000 1.109 405 L HN 0.499 nan 8.230 nan 0.000 0.462 406 T N 3.083 117.609 114.554 -0.047 0.000 2.928 406 T HA 0.392 4.743 4.350 0.002 0.000 0.284 406 T C -0.525 174.142 174.700 -0.056 0.000 1.008 406 T CA -0.501 61.572 62.100 -0.046 0.000 1.057 406 T CB 1.122 69.957 68.868 -0.056 0.000 1.018 406 T HN 0.350 nan 8.240 nan 0.000 0.493 407 K N 2.235 122.619 120.400 -0.027 0.000 2.323 407 K HA 0.496 4.817 4.320 0.002 0.000 0.259 407 K C -0.871 175.728 176.600 -0.000 0.000 0.947 407 K CA -0.756 55.529 56.287 -0.004 0.000 0.819 407 K CB 0.563 33.076 32.500 0.020 0.000 1.109 407 K HN 0.229 nan 8.250 nan 0.000 0.429 408 L N 2.967 124.198 121.223 0.013 0.000 2.506 408 L HA 0.122 4.463 4.340 0.002 0.000 0.281 408 L C 0.541 177.432 176.870 0.035 0.000 1.228 408 L CA 0.745 55.601 54.840 0.027 0.000 0.850 408 L CB 0.415 42.516 42.059 0.070 0.000 1.110 408 L HN 0.890 nan 8.230 nan 0.000 0.496 409 T N -0.810 113.760 114.554 0.026 0.000 2.874 409 T HA 0.201 4.552 4.350 0.002 0.000 0.281 409 T C 0.972 175.693 174.700 0.036 0.000 0.994 409 T CA -0.717 61.397 62.100 0.024 0.000 1.015 409 T CB 0.974 69.848 68.868 0.010 0.000 1.028 409 T HN 0.529 nan 8.240 nan 0.000 0.523 410 E N 0.392 120.611 120.200 0.032 0.000 2.118 410 E HA -0.164 4.187 4.350 0.002 0.000 0.195 410 E C 1.877 178.504 176.600 0.044 0.000 0.992 410 E CA 1.301 57.723 56.400 0.037 0.000 0.804 410 E CB -0.174 29.543 29.700 0.028 0.000 0.741 410 E HN 0.786 nan 8.360 nan 0.000 0.458 411 K N 0.201 120.622 120.400 0.036 0.000 2.025 411 K HA -0.158 4.163 4.320 0.002 0.000 0.207 411 K C 2.251 178.893 176.600 0.070 0.000 1.049 411 K CA 1.340 57.651 56.287 0.041 0.000 0.933 411 K CB 0.032 32.539 32.500 0.012 0.000 0.714 411 K HN 0.073 nan 8.250 nan 0.000 0.438 412 Q N -0.226 119.607 119.800 0.055 0.000 2.046 412 Q HA -0.097 4.244 4.340 0.002 0.000 0.200 412 Q C 2.100 178.180 176.000 0.133 0.000 0.975 412 Q CA 1.521 57.376 55.803 0.087 0.000 0.836 412 Q CB -0.164 28.599 28.738 0.043 0.000 0.896 412 Q HN 0.409 nan 8.270 nan 0.000 0.428 413 A N 0.770 123.648 122.820 0.098 0.000 1.948 413 A HA -0.268 4.053 4.320 0.002 0.000 0.220 413 A C 2.032 179.670 177.584 0.090 0.000 1.177 413 A CA 1.461 53.558 52.037 0.099 0.000 0.636 413 A CB -0.431 18.620 19.000 0.085 0.000 0.815 413 A HN 0.295 nan 8.150 nan 0.000 0.449 414 Q N -1.951 117.905 119.800 0.093 0.000 2.049 414 Q HA -0.152 4.189 4.340 0.002 0.000 0.198 414 Q C 2.018 178.080 176.000 0.104 0.000 0.971 414 Q CA 1.725 57.577 55.803 0.082 0.000 0.833 414 Q CB -0.508 28.277 28.738 0.077 0.000 0.896 414 Q HN 0.856 nan 8.270 nan 0.000 0.434 415 Y N 1.290 121.597 120.300 0.012 0.000 2.128 415 Y HA -0.186 4.365 4.550 0.002 0.000 0.284 415 Y C 2.015 177.921 175.900 0.010 0.000 1.154 415 Y CA 1.416 59.521 58.100 0.009 0.000 1.149 415 Y CB -0.281 38.183 38.460 0.006 0.000 0.976 415 Y HN 0.007 nan 8.280 nan 0.000 0.505 416 L N -0.372 120.903 121.223 0.087 0.000 2.376 416 L HA 0.059 4.400 4.340 0.002 0.000 0.219 416 L C 1.595 178.444 176.870 -0.035 0.000 1.133 416 L CA 0.801 55.638 54.840 -0.004 0.000 0.816 416 L CB -0.883 41.229 42.059 0.087 0.000 0.933 416 L HN 0.540 nan 8.230 nan 0.000 0.449 417 G N 1.434 110.227 108.800 -0.012 0.000 2.246 417 G HA2 -0.294 3.667 3.960 0.002 0.000 0.273 417 G HA3 -0.294 3.667 3.960 0.002 0.000 0.273 417 G C 0.029 174.930 174.900 0.002 0.000 1.055 417 G CA 0.710 45.801 45.100 -0.014 0.000 0.851 417 G HN 0.427 nan 8.290 nan 0.000 0.500 418 M N -2.197 117.421 119.600 0.029 0.000 2.618 418 M HA 0.831 5.312 4.480 0.002 0.000 0.281 418 M C -3.077 173.250 176.300 0.044 0.000 1.267 418 M CA -2.524 52.794 55.300 0.030 0.000 0.845 418 M CB 1.876 34.511 32.600 0.059 0.000 1.732 418 M HN -0.099 nan 8.290 nan 0.000 0.461 419 P HA 0.286 nan 4.420 nan 0.000 0.277 419 P C 0.735 178.083 177.300 0.081 0.000 1.240 419 P CA -0.592 62.514 63.100 0.011 0.000 0.798 419 P CB 0.643 32.312 31.700 -0.052 0.000 0.979 420 I N 0.730 121.361 120.570 0.101 0.000 2.248 420 I HA -0.255 3.916 4.170 0.002 0.000 0.248 420 I C 0.998 177.275 176.117 0.266 0.000 1.107 420 I CA 1.897 63.300 61.300 0.173 0.000 1.373 420 I CB -0.848 37.214 38.000 0.104 0.000 1.055 420 I HN 0.420 nan 8.210 nan 0.000 0.418 421 N N 0.179 118.929 118.700 0.082 0.000 2.516 421 N HA 0.070 4.811 4.740 0.002 0.000 0.197 421 N C 1.188 176.448 175.510 -0.417 0.000 1.064 421 N CA 0.461 53.502 53.050 -0.015 0.000 0.866 421 N CB -0.455 38.032 38.487 0.000 0.000 1.255 421 N HN 0.218 nan 8.380 nan 0.000 0.447 422 G N 3.158 111.776 108.800 -0.304 0.000 2.614 422 G HA2 -0.016 3.945 3.960 0.002 0.000 0.229 422 G HA3 -0.016 3.945 3.960 0.002 0.000 0.229 422 G C -2.290 172.215 174.900 -0.657 0.000 1.232 422 G CA -0.396 44.497 45.100 -0.345 0.000 0.857 422 G HN 0.055 nan 8.290 nan 0.000 0.560 423 P HA -0.080 nan 4.420 nan 0.000 0.261 423 P C -0.051 176.999 177.300 -0.418 0.000 1.165 423 P CA 0.480 63.334 63.100 -0.411 0.000 0.759 423 P CB 0.176 31.777 31.700 -0.165 0.000 0.772 424 F N 1.573 121.506 119.950 -0.029 0.000 2.765 424 F HA 0.189 4.717 4.527 0.002 0.000 0.302 424 F C 1.318 177.010 175.800 -0.181 0.000 1.111 424 F CA 0.641 58.594 58.000 -0.078 0.000 1.359 424 F CB 0.042 39.007 39.000 -0.058 0.000 1.097 424 F HN 0.049 nan 8.300 nan 0.000 0.577 425 K N 0.701 121.063 120.400 -0.063 0.000 2.502 425 K HA 0.372 4.693 4.320 0.002 0.000 0.257 425 K C -2.915 173.580 176.600 -0.175 0.000 0.938 425 K CA -1.789 54.341 56.287 -0.262 0.000 0.819 425 K CB 2.035 34.207 32.500 -0.548 0.000 1.333 425 K HN -0.275 nan 8.250 nan 0.000 0.434 426 P HA 0.086 nan 4.420 nan 0.000 0.272 426 P C -0.002 177.167 177.300 -0.218 0.000 1.230 426 P CA -0.086 62.860 63.100 -0.256 0.000 0.788 426 P CB 0.676 32.078 31.700 -0.496 0.000 0.949 427 D N -0.061 120.286 120.400 -0.089 0.000 2.221 427 D HA -0.175 4.466 4.640 0.002 0.000 0.204 427 D C 1.582 177.892 176.300 0.015 0.000 0.982 427 D CA 1.437 55.437 54.000 -0.000 0.000 0.857 427 D CB -0.379 40.455 40.800 0.056 0.000 0.934 427 D HN 0.633 nan 8.370 nan 0.000 0.475 428 H N -1.582 117.523 119.070 0.058 0.000 2.547 428 H HA -0.037 4.520 4.556 0.002 0.000 0.266 428 H C 0.249 175.603 175.328 0.043 0.000 0.988 428 H CA -0.350 55.720 56.048 0.037 0.000 1.147 428 H CB -0.816 28.960 29.762 0.023 0.000 1.365 428 H HN 0.078 nan 8.280 nan 0.000 0.589 429 Y N 3.124 123.241 120.300 -0.305 0.000 2.620 429 Y HA 0.019 4.570 4.550 0.002 0.000 0.330 429 Y C 1.141 176.967 175.900 -0.123 0.000 1.186 429 Y CA 0.146 58.074 58.100 -0.286 0.000 1.467 429 Y CB 0.538 38.706 38.460 -0.486 0.000 1.262 429 Y HN 0.041 nan 8.280 nan 0.000 0.550 430 R N 3.703 123.832 120.500 -0.618 0.000 2.334 430 R HA 0.092 4.433 4.340 0.002 0.000 0.212 430 R C -0.718 175.491 176.300 -0.153 0.000 0.897 430 R CA -0.125 55.823 56.100 -0.254 0.000 1.056 430 R CB 0.016 30.197 30.300 -0.199 0.000 1.046 430 R HN 0.803 nan 8.270 nan 0.000 0.513 431 Y N 0.000 119.875 120.300 -0.708 0.000 2.660 431 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 431 Y CA 0.000 57.977 58.100 -0.205 0.000 1.940 431 Y CB 0.000 38.510 38.460 0.084 0.000 1.050 431 Y HN 0.000 nan 8.280 nan 0.000 0.758