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 3fgq_1_A DATA FIRST_RESID 22 DATA SEQUENCE PEEAIADLSV NMYNRLRATG EDENILFSPL SIALAMGMME LGAQGSTQKE DATA SEQUENCE IRHSMGYDSL KNGEEFSFLK EFSNMVTAKE SQYVMKIANS LFVQNGFHVN DATA SEQUENCE EEFLQMMKKY FNAAVNHVDF SQNVAVANYI NKWVENNTNN LVKDLVSPRD DATA SEQUENCE FDAATYLALI NAVYFKGNWK SQFRPENTRT FSFTKDDESE VQIPMMYQQG DATA SEQUENCE EFYYGEFSDG SNEAGGIYQV LEIPYEGDEI SMMLVLSRQE VPLATLEPLV DATA SEQUENCE KAQLVEEWAN SVKKQKVEVY LPRFTVEQEI DLKDVLKALG ITEIFIKDAN DATA SEQUENCE LTGLSDNKEI FLSKAIHKSF LEVNEEGSEA AAXXXXXAIS RMAVLYPQVI DATA SEQUENCE VDHPFFFLIR NRRTGTILFM GRVMHPETM 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.312 177.300 0.020 0.000 1.155 22 P CA 0.000 63.107 63.100 0.011 0.000 0.800 22 P CB 0.000 31.734 31.700 0.057 0.000 0.726 23 E N 0.813 121.021 120.200 0.013 0.000 2.072 23 E HA -0.135 5.469 4.350 2.090 0.000 0.190 23 E C 1.201 177.804 176.600 0.005 0.000 0.982 23 E CA 1.155 57.563 56.400 0.013 0.000 0.803 23 E CB 0.343 30.048 29.700 0.008 0.000 0.755 23 E HN 0.522 nan 8.360 nan 0.000 0.453 24 E N 0.131 120.332 120.200 0.001 0.000 2.435 24 E HA 0.089 5.693 4.350 2.090 0.000 0.195 24 E C 1.554 178.147 176.600 -0.012 0.000 1.029 24 E CA 0.621 57.013 56.400 -0.012 0.000 0.865 24 E CB -0.098 29.591 29.700 -0.018 0.000 0.833 24 E HN 0.195 nan 8.360 nan 0.000 0.510 25 A N 0.395 123.222 122.820 0.012 0.000 1.972 25 A HA -0.161 5.413 4.320 2.090 0.000 0.219 25 A C 2.137 179.709 177.584 -0.020 0.000 1.169 25 A CA 1.241 53.290 52.037 0.020 0.000 0.635 25 A CB -0.515 18.568 19.000 0.138 0.000 0.810 25 A HN 0.375 nan 8.150 nan 0.000 0.446 26 I N -0.075 120.475 120.570 -0.035 0.000 2.142 26 I HA -0.173 5.251 4.170 2.090 0.000 0.240 26 I C 2.568 178.647 176.117 -0.063 0.000 1.078 26 I CA 1.632 62.882 61.300 -0.083 0.000 1.343 26 I CB -0.583 37.361 38.000 -0.094 0.000 1.046 26 I HN 0.261 nan 8.210 nan 0.000 0.405 27 A N -0.070 122.723 122.820 -0.046 0.000 1.908 27 A HA -0.256 5.318 4.320 2.090 0.000 0.218 27 A C 1.970 179.538 177.584 -0.027 0.000 1.181 27 A CA 2.343 54.358 52.037 -0.037 0.000 0.627 27 A CB -1.037 17.938 19.000 -0.043 0.000 0.818 27 A HN 0.552 nan 8.150 nan 0.000 0.445 28 D N -0.799 119.579 120.400 -0.036 0.000 2.149 28 D HA -0.053 5.841 4.640 2.090 0.000 0.201 28 D C 1.806 178.087 176.300 -0.031 0.000 0.972 28 D CA 0.841 54.819 54.000 -0.037 0.000 0.835 28 D CB -0.400 40.370 40.800 -0.050 0.000 0.966 28 D HN 0.320 nan 8.370 nan 0.000 0.476 29 L N 1.374 122.569 121.223 -0.047 0.000 1.956 29 L HA -0.252 5.342 4.340 2.090 0.000 0.216 29 L C 2.233 179.108 176.870 0.008 0.000 1.073 29 L CA 2.325 57.131 54.840 -0.056 0.000 0.762 29 L CB -1.102 40.904 42.059 -0.088 0.000 0.889 29 L HN 0.076 nan 8.230 nan 0.000 0.433 30 S N -1.803 113.949 115.700 0.086 0.000 2.368 30 S HA -0.192 5.531 4.470 2.090 0.000 0.225 30 S C 2.072 176.864 174.600 0.320 0.000 1.030 30 S CA 1.360 59.746 58.200 0.310 0.000 0.999 30 S CB -1.353 61.989 63.200 0.236 0.000 0.844 30 S HN 0.309 nan 8.310 nan 0.000 0.459 31 V N 2.943 122.952 119.914 0.158 0.000 2.343 31 V HA -0.184 5.190 4.120 2.090 0.000 0.247 31 V C 2.266 178.444 176.094 0.139 0.000 1.051 31 V CA 2.165 64.550 62.300 0.142 0.000 1.036 31 V CB -1.004 30.837 31.823 0.030 0.000 0.654 31 V HN 0.431 nan 8.190 nan 0.000 0.451 32 N N -0.494 118.240 118.700 0.058 0.000 2.084 32 N HA -0.174 5.820 4.740 2.090 0.000 0.190 32 N C 1.627 177.131 175.510 -0.010 0.000 1.030 32 N CA 1.867 54.924 53.050 0.011 0.000 0.849 32 N CB -0.478 37.990 38.487 -0.033 0.000 1.012 32 N HN 0.419 nan 8.380 nan 0.000 0.423 33 M N -0.529 119.040 119.600 -0.052 0.000 2.108 33 M HA -0.152 5.582 4.480 2.090 0.000 0.261 33 M C 1.887 178.092 176.300 -0.158 0.000 1.066 33 M CA 1.365 56.523 55.300 -0.235 0.000 1.107 33 M CB -0.501 31.768 32.600 -0.553 0.000 1.356 33 M HN 0.277 nan 8.290 nan 0.000 0.406 34 Y N 0.526 120.851 120.300 0.042 0.000 2.145 34 Y HA -0.253 5.548 4.550 2.084 0.000 0.286 34 Y C 2.038 177.993 175.900 0.090 0.000 1.145 34 Y CA 2.064 60.300 58.100 0.226 0.000 1.148 34 Y CB -0.364 38.317 38.460 0.368 0.000 0.981 34 Y HN 0.349 nan 8.280 nan 0.000 0.507 35 N N 0.492 119.263 118.700 0.119 0.000 2.166 35 N HA -0.208 5.786 4.740 2.090 0.000 0.186 35 N C 1.965 177.426 175.510 -0.081 0.000 1.019 35 N CA 1.540 54.591 53.050 0.001 0.000 0.856 35 N CB -0.489 38.026 38.487 0.048 0.000 0.993 35 N HN 0.379 nan 8.380 nan 0.000 0.426 36 R N 1.365 121.814 120.500 -0.084 0.000 2.080 36 R HA -0.017 5.577 4.340 2.090 0.000 0.236 36 R C 2.289 178.509 176.300 -0.133 0.000 1.137 36 R CA 1.111 57.148 56.100 -0.105 0.000 0.943 36 R CB -0.568 29.665 30.300 -0.113 0.000 0.846 36 R HN 0.143 nan 8.270 nan 0.000 0.431 37 L N 0.159 121.275 121.223 -0.178 0.000 2.079 37 L HA -0.162 5.432 4.340 2.090 0.000 0.210 37 L C 2.903 179.658 176.870 -0.192 0.000 1.081 37 L CA 1.811 56.548 54.840 -0.172 0.000 0.752 37 L CB -0.489 41.473 42.059 -0.161 0.000 0.896 37 L HN 0.332 nan 8.230 nan 0.000 0.433 38 R N 0.311 120.631 120.500 -0.301 0.000 2.081 38 R HA -0.187 5.407 4.340 2.090 0.000 0.235 38 R C 2.376 178.596 176.300 -0.133 0.000 1.131 38 R CA 1.461 57.399 56.100 -0.270 0.000 0.960 38 R CB -0.283 29.812 30.300 -0.341 0.000 0.856 38 R HN 0.319 nan 8.270 nan 0.000 0.436 39 A N -0.501 122.253 122.820 -0.111 0.000 1.884 39 A HA -0.220 5.354 4.320 2.090 0.000 0.219 39 A C 2.247 179.796 177.584 -0.059 0.000 1.197 39 A CA 2.318 54.314 52.037 -0.070 0.000 0.637 39 A CB -1.149 17.813 19.000 -0.063 0.000 0.827 39 A HN 0.490 nan 8.150 nan 0.000 0.450 40 T N -1.494 113.021 114.554 -0.065 0.000 3.086 40 T HA 0.308 5.912 4.350 2.090 0.000 0.250 40 T C 1.001 175.677 174.700 -0.039 0.000 1.074 40 T CA 0.895 62.965 62.100 -0.049 0.000 0.988 40 T CB -0.333 68.505 68.868 -0.051 0.000 0.988 40 T HN 0.457 nan 8.240 nan 0.000 0.530 41 G N 1.737 110.509 108.800 -0.047 0.000 3.805 41 G HA2 0.175 5.389 3.960 2.090 0.000 0.290 41 G HA3 0.175 5.389 3.960 2.090 0.000 0.290 41 G C 0.179 175.074 174.900 -0.009 0.000 1.077 41 G CA -0.463 44.619 45.100 -0.030 0.000 0.852 41 G HN 0.591 nan 8.290 nan 0.000 0.531 42 E N 0.789 120.985 120.200 -0.005 0.000 2.463 42 E HA 0.008 5.612 4.350 2.090 0.000 0.248 42 E C 0.055 176.676 176.600 0.035 0.000 1.106 42 E CA 0.723 57.126 56.400 0.005 0.000 0.946 42 E CB 0.340 30.043 29.700 0.005 0.000 0.971 42 E HN 0.313 nan 8.360 nan 0.000 0.478 43 D N 1.348 121.771 120.400 0.038 0.000 2.458 43 D HA -0.138 5.756 4.640 2.090 0.000 0.173 43 D C -0.680 175.705 176.300 0.142 0.000 0.913 43 D CA 1.120 55.166 54.000 0.076 0.000 0.996 43 D CB -0.481 40.379 40.800 0.101 0.000 1.052 43 D HN 0.577 nan 8.370 nan 0.000 0.478 44 E N 0.878 121.152 120.200 0.122 0.000 2.349 44 E HA 0.246 5.850 4.350 2.090 0.000 0.262 44 E C 0.300 176.969 176.600 0.115 0.000 1.088 44 E CA -0.481 56.012 56.400 0.156 0.000 0.899 44 E CB 0.333 30.086 29.700 0.087 0.000 1.044 44 E HN 0.258 nan 8.360 nan 0.000 0.420 45 N N 1.170 119.956 118.700 0.144 0.000 2.353 45 N HA 0.015 6.009 4.740 2.090 0.000 0.248 45 N C -0.081 175.490 175.510 0.102 0.000 1.240 45 N CA 0.615 53.721 53.050 0.093 0.000 0.862 45 N CB 0.342 38.883 38.487 0.090 0.000 1.086 45 N HN 0.311 nan 8.380 nan 0.000 0.453 46 I N 1.388 122.028 120.570 0.118 0.000 2.509 46 I HA 0.430 5.854 4.170 2.090 0.000 0.293 46 I C -0.641 175.592 176.117 0.193 0.000 1.020 46 I CA -0.950 60.444 61.300 0.156 0.000 1.088 46 I CB 1.794 39.876 38.000 0.136 0.000 1.267 46 I HN 0.212 nan 8.210 nan 0.000 0.430 47 L N 8.284 129.667 121.223 0.267 0.000 2.614 47 L HA 0.585 6.179 4.340 2.090 0.000 0.264 47 L C -1.718 175.415 176.870 0.438 0.000 0.940 47 L CA -0.155 54.850 54.840 0.275 0.000 0.903 47 L CB 1.569 43.802 42.059 0.290 0.000 1.306 47 L HN 0.519 nan 8.230 nan 0.000 0.410 48 F N 1.855 121.995 119.950 0.317 0.000 2.645 48 F HA 0.820 6.595 4.527 2.081 0.000 0.310 48 F C -0.989 174.969 175.800 0.263 0.000 1.102 48 F CA -0.988 57.223 58.000 0.352 0.000 0.952 48 F CB 1.606 40.694 39.000 0.146 0.000 1.326 48 F HN 0.398 nan 8.300 nan 0.000 0.456 49 S N 2.708 118.591 115.700 0.305 0.000 2.438 49 S HA 0.509 6.233 4.470 2.090 0.000 0.316 49 S C -2.056 172.512 174.600 -0.054 0.000 1.084 49 S CA -1.596 56.476 58.200 -0.212 0.000 1.107 49 S CB 1.215 64.128 63.200 -0.478 0.000 0.981 49 S HN 0.522 nan 8.310 nan 0.000 0.466 50 P HA -0.102 nan 4.420 nan 0.000 0.215 50 P C 1.430 178.572 177.300 -0.263 0.000 1.157 50 P CA 1.127 64.182 63.100 -0.076 0.000 0.868 50 P CB 0.063 31.703 31.700 -0.100 0.000 0.788 51 L N -0.952 120.012 121.223 -0.431 0.000 2.017 51 L HA -0.182 5.412 4.340 2.090 0.000 0.208 51 L C 2.667 179.240 176.870 -0.494 0.000 1.073 51 L CA 1.987 56.405 54.840 -0.704 0.000 0.745 51 L CB -1.321 39.984 42.059 -1.257 0.000 0.894 51 L HN 0.074 nan 8.230 nan 0.000 0.432 52 S N 0.251 115.824 115.700 -0.211 0.000 2.370 52 S HA -0.180 5.544 4.470 2.090 0.000 0.226 52 S C 1.990 176.733 174.600 0.238 0.000 1.033 52 S CA 1.290 59.679 58.200 0.315 0.000 1.011 52 S CB -0.269 63.216 63.200 0.474 0.000 0.852 52 S HN 0.308 nan 8.310 nan 0.000 0.457 53 I N 1.323 121.904 120.570 0.018 0.000 2.315 53 I HA -0.094 5.330 4.170 2.090 0.000 0.248 53 I C 2.753 178.890 176.117 0.033 0.000 1.117 53 I CA 1.005 62.288 61.300 -0.028 0.000 1.404 53 I CB -0.414 37.480 38.000 -0.177 0.000 1.071 53 I HN 0.424 nan 8.210 nan 0.000 0.419 54 A N 0.471 123.247 122.820 -0.073 0.000 1.930 54 A HA -0.176 5.398 4.320 2.090 0.000 0.217 54 A C 2.310 180.039 177.584 0.243 0.000 1.175 54 A CA 1.151 53.101 52.037 -0.145 0.000 0.627 54 A CB -0.715 17.839 19.000 -0.744 0.000 0.815 54 A HN 0.432 nan 8.150 nan 0.000 0.443 55 L N -0.484 121.020 121.223 0.467 0.000 2.012 55 L HA -0.172 5.422 4.340 2.090 0.000 0.210 55 L C 2.816 180.065 176.870 0.632 0.000 1.073 55 L CA 1.701 57.029 54.840 0.813 0.000 0.748 55 L CB -0.361 42.222 42.059 0.873 0.000 0.891 55 L HN 0.376 nan 8.230 nan 0.000 0.431 56 A N -0.377 122.703 122.820 0.434 0.000 1.908 56 A HA -0.259 5.315 4.320 2.090 0.000 0.218 56 A C 2.228 179.985 177.584 0.289 0.000 1.181 56 A CA 2.201 54.436 52.037 0.330 0.000 0.627 56 A CB -0.558 18.609 19.000 0.279 0.000 0.818 56 A HN 0.560 nan 8.150 nan 0.000 0.445 57 M N -0.842 118.928 119.600 0.282 0.000 2.200 57 M HA -0.048 5.686 4.480 2.090 0.000 0.265 57 M C 2.330 178.842 176.300 0.353 0.000 1.066 57 M CA 1.192 56.643 55.300 0.251 0.000 1.127 57 M CB -0.603 32.106 32.600 0.182 0.000 1.379 57 M HN 0.508 nan 8.290 nan 0.000 0.420 58 G N 0.754 109.883 108.800 0.547 0.000 2.440 58 G HA2 -0.216 4.998 3.960 2.090 0.000 0.218 58 G HA3 -0.216 4.998 3.960 2.090 0.000 0.218 58 G C 1.534 176.664 174.900 0.385 0.000 1.154 58 G CA 0.728 46.303 45.100 0.791 0.000 0.767 58 G HN 0.349 nan 8.290 nan 0.000 0.552 59 M N -0.262 119.424 119.600 0.143 0.000 2.080 59 M HA -0.024 5.710 4.480 2.090 0.000 0.260 59 M C 2.764 179.140 176.300 0.128 0.000 1.068 59 M CA 1.550 56.787 55.300 -0.105 0.000 1.109 59 M CB -0.407 32.176 32.600 -0.027 0.000 1.342 59 M HN 0.209 nan 8.290 nan 0.000 0.405 60 M N -0.482 119.208 119.600 0.150 0.000 2.086 60 M HA -0.203 5.531 4.480 2.090 0.000 0.261 60 M C 2.164 178.536 176.300 0.119 0.000 1.067 60 M CA 1.622 56.982 55.300 0.101 0.000 1.116 60 M CB -0.576 32.067 32.600 0.071 0.000 1.348 60 M HN 0.273 nan 8.290 nan 0.000 0.407 61 E N 0.850 121.171 120.200 0.202 0.000 2.085 61 E HA -0.214 5.390 4.350 2.090 0.000 0.194 61 E C 1.944 178.686 176.600 0.236 0.000 0.994 61 E CA 1.297 57.840 56.400 0.240 0.000 0.801 61 E CB -0.063 29.855 29.700 0.363 0.000 0.743 61 E HN 0.489 nan 8.360 nan 0.000 0.453 62 L N -0.424 120.951 121.223 0.253 0.000 2.109 62 L HA -0.042 5.552 4.340 2.090 0.000 0.207 62 L C 2.575 179.570 176.870 0.208 0.000 1.086 62 L CA 0.944 55.920 54.840 0.227 0.000 0.760 62 L CB -0.423 41.702 42.059 0.110 0.000 0.910 62 L HN 0.237 nan 8.230 nan 0.000 0.437 63 G N -0.077 108.812 108.800 0.147 0.000 2.422 63 G HA2 -0.055 5.159 3.960 2.090 0.000 0.218 63 G HA3 -0.055 5.159 3.960 2.090 0.000 0.218 63 G C 0.801 175.618 174.900 -0.139 0.000 1.146 63 G CA 0.567 45.511 45.100 -0.260 0.000 0.769 63 G HN 0.404 nan 8.290 nan 0.000 0.547 64 A N -0.801 122.002 122.820 -0.029 0.000 2.287 64 A HA 0.706 6.280 4.320 2.090 0.000 0.273 64 A C 0.029 177.621 177.584 0.014 0.000 1.091 64 A CA -0.245 51.781 52.037 -0.017 0.000 0.817 64 A CB 0.629 19.628 19.000 -0.003 0.000 1.069 64 A HN 0.360 nan 8.150 nan 0.000 0.492 65 Q N -0.724 119.082 119.800 0.010 0.000 2.501 65 Q HA 0.554 6.148 4.340 2.090 0.000 0.288 65 Q C 0.294 176.308 176.000 0.024 0.000 1.051 65 Q CA -0.317 55.502 55.803 0.026 0.000 0.788 65 Q CB 2.031 30.781 28.738 0.019 0.000 1.469 65 Q HN 1.883 nan 8.270 nan 0.000 0.416 66 G N 1.043 109.862 108.800 0.031 0.000 2.528 66 G HA2 -0.386 4.828 3.960 2.090 0.000 0.262 66 G HA3 -0.386 4.828 3.960 2.090 0.000 0.262 66 G C 0.821 175.737 174.900 0.027 0.000 1.200 66 G CA 0.478 45.593 45.100 0.026 0.000 0.951 66 G HN 0.892 nan 8.290 nan 0.000 0.566 67 S N -1.094 114.616 115.700 0.018 0.000 2.382 67 S HA -0.119 5.605 4.470 2.090 0.000 0.228 67 S C 2.231 176.837 174.600 0.011 0.000 1.027 67 S CA 2.683 60.891 58.200 0.014 0.000 0.991 67 S CB -0.922 62.280 63.200 0.004 0.000 0.823 67 S HN 1.180 nan 8.310 nan 0.000 0.469 68 T N 2.225 116.782 114.554 0.005 0.000 2.684 68 T HA -0.180 5.424 4.350 2.090 0.000 0.267 68 T C 1.937 176.642 174.700 0.009 0.000 1.036 68 T CA 1.681 63.777 62.100 -0.007 0.000 1.148 68 T CB -0.487 68.370 68.868 -0.019 0.000 0.863 68 T HN 0.559 nan 8.240 nan 0.000 0.436 69 Q N 0.379 120.197 119.800 0.029 0.000 2.167 69 Q HA -0.156 5.437 4.340 2.090 0.000 0.202 69 Q C 2.260 178.306 176.000 0.075 0.000 0.970 69 Q CA 1.273 57.112 55.803 0.060 0.000 0.855 69 Q CB -0.019 28.765 28.738 0.075 0.000 0.911 69 Q HN 0.195 nan 8.270 nan 0.000 0.438 70 K N 1.023 121.462 120.400 0.064 0.000 2.057 70 K HA -0.143 5.431 4.320 2.090 0.000 0.206 70 K C 1.573 178.232 176.600 0.097 0.000 1.050 70 K CA 1.810 58.148 56.287 0.084 0.000 0.935 70 K CB -0.078 32.465 32.500 0.071 0.000 0.715 70 K HN 0.276 nan 8.250 nan 0.000 0.439 71 E N 0.011 120.241 120.200 0.049 0.000 2.097 71 E HA -0.203 5.401 4.350 2.090 0.000 0.196 71 E C 2.077 178.715 176.600 0.063 0.000 1.000 71 E CA 1.659 58.076 56.400 0.028 0.000 0.804 71 E CB -0.251 29.448 29.700 -0.002 0.000 0.740 71 E HN 0.333 nan 8.360 nan 0.000 0.454 72 I N 0.648 121.254 120.570 0.061 0.000 2.202 72 I HA -0.263 5.161 4.170 2.090 0.000 0.242 72 I C 2.529 178.693 176.117 0.077 0.000 1.091 72 I CA 1.178 62.518 61.300 0.067 0.000 1.368 72 I CB -0.187 37.860 38.000 0.079 0.000 1.058 72 I HN -0.008 nan 8.210 nan 0.000 0.410 73 R N -0.547 120.024 120.500 0.119 0.000 2.073 73 R HA -0.202 5.392 4.340 2.090 0.000 0.234 73 R C 2.501 178.838 176.300 0.062 0.000 1.134 73 R CA 1.340 57.526 56.100 0.142 0.000 0.952 73 R CB -0.643 29.757 30.300 0.167 0.000 0.850 73 R HN 0.413 nan 8.270 nan 0.000 0.433 74 H N 0.637 119.706 119.070 -0.003 0.000 2.319 74 H HA -0.021 5.789 4.556 2.089 0.000 0.299 74 H C 1.755 177.038 175.328 -0.075 0.000 1.092 74 H CA 1.915 57.947 56.048 -0.028 0.000 1.302 74 H CB 0.106 29.861 29.762 -0.011 0.000 1.373 74 H HN 0.061 nan 8.280 nan 0.000 0.497 75 S N 0.120 115.917 115.700 0.161 0.000 2.423 75 S HA -0.057 5.667 4.470 2.090 0.000 0.231 75 S C 2.125 176.667 174.600 -0.095 0.000 1.014 75 S CA 0.845 59.082 58.200 0.061 0.000 0.965 75 S CB 0.016 63.231 63.200 0.025 0.000 0.785 75 S HN 0.377 nan 8.310 nan 0.000 0.495 76 M N -0.057 119.408 119.600 -0.226 0.000 2.541 76 M HA 0.171 5.905 4.480 2.090 0.000 0.252 76 M C 1.576 177.457 176.300 -0.699 0.000 1.125 76 M CA 0.648 55.622 55.300 -0.543 0.000 1.091 76 M CB -0.826 31.277 32.600 -0.829 0.000 1.420 76 M HN 0.464 nan 8.290 nan 0.000 0.486 77 G N 0.448 109.003 108.800 -0.408 0.000 2.137 77 G HA2 -0.268 4.946 3.960 2.090 0.000 0.237 77 G HA3 -0.268 4.946 3.960 2.090 0.000 0.237 77 G C -0.044 174.767 174.900 -0.149 0.000 1.002 77 G CA -0.133 44.795 45.100 -0.287 0.000 0.702 77 G HN 0.457 nan 8.290 nan 0.000 0.515 78 Y N 0.768 121.012 120.300 -0.092 0.000 2.625 78 Y HA 0.277 6.080 4.550 2.089 0.000 0.285 78 Y C 1.819 177.674 175.900 -0.076 0.000 1.168 78 Y CA -0.780 57.270 58.100 -0.085 0.000 1.250 78 Y CB -0.225 38.183 38.460 -0.087 0.000 1.130 78 Y HN 0.311 nan 8.280 nan 0.000 0.526 79 D N -0.087 120.328 120.400 0.025 0.000 2.133 79 D HA -0.211 5.683 4.640 2.090 0.000 0.195 79 D C 2.016 178.322 176.300 0.010 0.000 0.997 79 D CA 2.143 56.136 54.000 -0.012 0.000 0.840 79 D CB -0.097 40.634 40.800 -0.117 0.000 0.947 79 D HN 0.287 nan 8.370 nan 0.000 0.452 80 S N -0.468 115.235 115.700 0.006 0.000 2.593 80 S HA 0.084 5.808 4.470 2.090 0.000 0.217 80 S C 0.664 175.264 174.600 0.001 0.000 0.966 80 S CA -0.281 57.920 58.200 0.001 0.000 0.914 80 S CB -0.232 62.964 63.200 -0.006 0.000 0.776 80 S HN 0.113 nan 8.310 nan 0.000 0.523 81 L N 2.363 123.588 121.223 0.003 0.000 2.283 81 L HA 0.399 5.993 4.340 2.090 0.000 0.287 81 L C 0.803 177.655 176.870 -0.030 0.000 1.073 81 L CA -0.536 54.280 54.840 -0.040 0.000 0.822 81 L CB 0.816 42.801 42.059 -0.122 0.000 1.186 81 L HN 0.117 nan 8.230 nan 0.000 0.436 82 K N 1.598 121.988 120.400 -0.017 0.000 2.355 82 K HA 0.180 5.754 4.320 2.090 0.000 0.198 82 K C 0.380 176.987 176.600 0.012 0.000 1.039 82 K CA 0.213 56.502 56.287 0.004 0.000 1.075 82 K CB 0.572 33.078 32.500 0.010 0.000 0.870 82 K HN 0.525 nan 8.250 nan 0.000 0.540 83 N N 0.499 119.198 118.700 -0.001 0.000 2.238 83 N HA 0.082 6.076 4.740 2.090 0.000 0.235 83 N C 0.466 175.997 175.510 0.034 0.000 1.209 83 N CA 0.536 53.595 53.050 0.016 0.000 0.879 83 N CB 1.544 40.033 38.487 0.004 0.000 1.136 83 N HN 0.286 nan 8.380 nan 0.000 0.517 84 G N 1.599 110.417 108.800 0.030 0.000 2.136 84 G HA2 -0.300 4.914 3.960 2.090 0.000 0.242 84 G HA3 -0.300 4.914 3.960 2.090 0.000 0.242 84 G C 0.773 175.644 174.900 -0.049 0.000 0.989 84 G CA 0.361 45.526 45.100 0.108 0.000 0.682 84 G HN 0.300 nan 8.290 nan 0.000 0.522 85 E N 0.702 120.820 120.200 -0.136 0.000 2.219 85 E HA -0.110 5.494 4.350 2.090 0.000 0.198 85 E C 2.346 178.793 176.600 -0.255 0.000 0.998 85 E CA 1.413 57.724 56.400 -0.149 0.000 0.818 85 E CB -0.041 29.580 29.700 -0.131 0.000 0.741 85 E HN 0.808 nan 8.360 nan 0.000 0.477 86 E N 0.109 119.983 120.200 -0.544 0.000 2.478 86 E HA -0.148 5.456 4.350 2.090 0.000 0.198 86 E C 0.647 177.029 176.600 -0.363 0.000 1.046 86 E CA 0.615 56.571 56.400 -0.740 0.000 0.870 86 E CB -0.151 28.602 29.700 -1.578 0.000 0.818 86 E HN 0.337 nan 8.360 nan 0.000 0.527 87 F N 1.877 121.805 119.950 -0.036 0.000 2.727 87 F HA 0.124 5.904 4.527 2.088 0.000 0.302 87 F C 2.352 177.975 175.800 -0.295 0.000 1.097 87 F CA 0.344 58.271 58.000 -0.120 0.000 1.330 87 F CB 0.087 38.993 39.000 -0.156 0.000 1.084 87 F HN 0.038 nan 8.300 nan 0.000 0.578 88 S N 0.463 116.163 115.700 -0.000 0.000 2.423 88 S HA -0.245 5.479 4.470 2.090 0.000 0.231 88 S C 2.011 176.581 174.600 -0.049 0.000 1.014 88 S CA 0.972 59.150 58.200 -0.037 0.000 0.965 88 S CB -1.456 61.744 63.200 -0.001 0.000 0.785 88 S HN 0.493 nan 8.310 nan 0.000 0.495 89 F N 1.923 121.873 119.950 0.000 0.000 2.333 89 F HA 0.132 5.911 4.527 2.088 0.000 0.300 89 F C 1.694 177.532 175.800 0.062 0.000 1.083 89 F CA 0.400 58.407 58.000 0.011 0.000 1.395 89 F CB -0.792 38.198 39.000 -0.016 0.000 1.056 89 F HN 0.105 nan 8.300 nan 0.000 0.529 90 L N 0.443 121.082 121.223 -0.974 0.000 2.081 90 L HA -0.248 5.346 4.340 2.090 0.000 0.212 90 L C 2.725 179.503 176.870 -0.154 0.000 1.080 90 L CA 1.791 56.258 54.840 -0.622 0.000 0.754 90 L CB -0.721 40.899 42.059 -0.732 0.000 0.893 90 L HN 0.200 nan 8.230 nan 0.000 0.433 91 K N 0.968 121.303 120.400 -0.109 0.000 1.991 91 K HA -0.270 5.304 4.320 2.090 0.000 0.212 91 K C 1.978 178.615 176.600 0.062 0.000 1.049 91 K CA 2.119 58.399 56.287 -0.011 0.000 0.932 91 K CB -0.316 32.181 32.500 -0.005 0.000 0.717 91 K HN 0.322 nan 8.250 nan 0.000 0.441 92 E N -0.734 119.525 120.200 0.098 0.000 2.110 92 E HA -0.200 5.404 4.350 2.090 0.000 0.193 92 E C 2.018 178.767 176.600 0.248 0.000 0.988 92 E CA 1.215 57.704 56.400 0.148 0.000 0.804 92 E CB -0.398 29.384 29.700 0.138 0.000 0.745 92 E HN 0.470 nan 8.360 nan 0.000 0.458 93 F N 0.539 120.532 119.950 0.072 0.000 2.126 93 F HA -0.238 5.538 4.527 2.081 0.000 0.299 93 F C 2.399 178.244 175.800 0.074 0.000 1.096 93 F CA 1.103 59.162 58.000 0.098 0.000 1.255 93 F CB 0.049 39.124 39.000 0.125 0.000 0.997 93 F HN 0.100 nan 8.300 nan 0.000 0.479 94 S N 0.528 116.293 115.700 0.108 0.000 2.382 94 S HA -0.201 5.523 4.470 2.090 0.000 0.228 94 S C 1.460 176.085 174.600 0.041 0.000 1.027 94 S CA 1.208 59.399 58.200 -0.015 0.000 0.991 94 S CB -0.447 62.733 63.200 -0.034 0.000 0.823 94 S HN 0.434 nan 8.310 nan 0.000 0.469 95 N N 1.574 120.330 118.700 0.094 0.000 2.094 95 N HA -0.068 5.926 4.740 2.090 0.000 0.191 95 N C 1.612 177.210 175.510 0.147 0.000 1.023 95 N CA 1.285 54.397 53.050 0.103 0.000 0.857 95 N CB -0.424 38.133 38.487 0.117 0.000 1.013 95 N HN 0.429 nan 8.380 nan 0.000 0.426 96 M N 0.145 119.885 119.600 0.233 0.000 2.159 96 M HA -0.086 5.648 4.480 2.090 0.000 0.263 96 M C 1.913 178.361 176.300 0.248 0.000 1.063 96 M CA 0.928 56.437 55.300 0.348 0.000 1.110 96 M CB -0.144 32.721 32.600 0.440 0.000 1.374 96 M HN -0.109 nan 8.290 nan 0.000 0.411 97 V N -0.190 119.797 119.914 0.121 0.000 2.867 97 V HA -0.181 5.193 4.120 2.090 0.000 0.260 97 V C 2.164 178.261 176.094 0.005 0.000 1.099 97 V CA 1.988 64.311 62.300 0.038 0.000 1.122 97 V CB -1.348 30.434 31.823 -0.067 0.000 0.708 97 V HN 0.676 nan 8.190 nan 0.000 0.490 98 T N -2.629 111.928 114.554 0.004 0.000 3.085 98 T HA 0.505 6.109 4.350 2.090 0.000 0.264 98 T C 0.640 175.304 174.700 -0.059 0.000 1.019 98 T CA 0.403 62.485 62.100 -0.031 0.000 0.910 98 T CB 0.126 68.980 68.868 -0.022 0.000 1.059 98 T HN 0.387 nan 8.240 nan 0.000 0.542 99 A N 1.827 124.594 122.820 -0.089 0.000 2.448 99 A HA 0.406 5.980 4.320 2.090 0.000 0.239 99 A C 0.375 177.797 177.584 -0.271 0.000 1.080 99 A CA -0.326 51.588 52.037 -0.206 0.000 0.779 99 A CB 0.117 18.857 19.000 -0.433 0.000 1.026 99 A HN 0.569 nan 8.150 nan 0.000 0.499 100 K N 0.212 120.466 120.400 -0.244 0.000 2.401 100 K HA 0.004 5.578 4.320 2.090 0.000 0.278 100 K C 0.867 177.299 176.600 -0.280 0.000 1.018 100 K CA 0.244 56.409 56.287 -0.202 0.000 0.981 100 K CB 0.589 33.012 32.500 -0.127 0.000 0.933 100 K HN 0.858 nan 8.250 nan 0.000 0.477 101 E N 1.334 121.414 120.200 -0.201 0.000 2.268 101 E HA -0.149 5.455 4.350 2.090 0.000 0.195 101 E C 1.238 177.744 176.600 -0.157 0.000 0.995 101 E CA 1.144 57.430 56.400 -0.190 0.000 0.836 101 E CB 0.250 29.873 29.700 -0.128 0.000 0.763 101 E HN 0.644 nan 8.360 nan 0.000 0.491 102 S N -0.445 115.183 115.700 -0.121 0.000 2.481 102 S HA -0.108 5.616 4.470 2.090 0.000 0.231 102 S C 1.683 176.249 174.600 -0.058 0.000 0.996 102 S CA 0.515 58.671 58.200 -0.073 0.000 0.942 102 S CB 0.031 63.202 63.200 -0.048 0.000 0.768 102 S HN 0.288 nan 8.310 nan 0.000 0.520 103 Q N 0.047 119.787 119.800 -0.101 0.000 2.159 103 Q HA 0.285 5.878 4.340 2.090 0.000 0.194 103 Q C 0.003 175.998 176.000 -0.008 0.000 0.968 103 Q CA 0.550 56.342 55.803 -0.018 0.000 0.837 103 Q CB 0.183 28.915 28.738 -0.009 0.000 0.920 103 Q HN 0.861 nan 8.270 nan 0.000 0.485 104 Y N -3.047 117.138 120.300 -0.193 0.000 2.713 104 Y HA 0.585 6.387 4.550 2.085 0.000 0.335 104 Y C -1.276 174.434 175.900 -0.316 0.000 1.222 104 Y CA -1.838 56.018 58.100 -0.407 0.000 1.061 104 Y CB 1.113 39.210 38.460 -0.604 0.000 1.314 104 Y HN -0.182 nan 8.280 nan 0.000 0.453 105 V N 1.582 121.347 119.914 -0.248 0.000 2.487 105 V HA 0.704 6.078 4.120 2.090 0.000 0.298 105 V C -1.221 174.876 176.094 0.005 0.000 1.028 105 V CA -0.843 61.394 62.300 -0.105 0.000 0.860 105 V CB 1.479 33.276 31.823 -0.044 0.000 0.991 105 V HN 1.005 nan 8.190 nan 0.000 0.427 106 M N 6.577 126.326 119.600 0.248 0.000 2.018 106 M HA 0.574 6.308 4.480 2.090 0.000 0.311 106 M C -0.944 175.535 176.300 0.298 0.000 0.928 106 M CA -0.573 54.971 55.300 0.406 0.000 0.911 106 M CB 0.878 33.849 32.600 0.617 0.000 1.447 106 M HN 0.628 nan 8.290 nan 0.000 0.407 107 K N 5.652 126.240 120.400 0.313 0.000 2.172 107 K HA 0.588 6.162 4.320 2.090 0.000 0.276 107 K C -0.734 175.998 176.600 0.220 0.000 1.013 107 K CA -0.178 56.230 56.287 0.202 0.000 0.913 107 K CB 1.347 33.932 32.500 0.143 0.000 1.055 107 K HN 0.738 nan 8.250 nan 0.000 0.461 108 I N 1.100 121.749 120.570 0.132 0.000 2.545 108 I HA 0.377 5.801 4.170 2.090 0.000 0.292 108 I C -0.612 175.570 176.117 0.108 0.000 1.040 108 I CA -1.144 60.248 61.300 0.153 0.000 1.068 108 I CB 2.207 40.268 38.000 0.102 0.000 1.251 108 I HN 0.514 nan 8.210 nan 0.000 0.424 109 A N 5.929 128.858 122.820 0.181 0.000 2.323 109 A HA 0.613 6.187 4.320 2.090 0.000 0.305 109 A C -1.006 176.824 177.584 0.409 0.000 1.275 109 A CA -0.697 51.486 52.037 0.244 0.000 0.804 109 A CB 0.358 19.488 19.000 0.217 0.000 1.152 109 A HN 0.698 nan 8.150 nan 0.000 0.487 110 N N 1.335 120.292 118.700 0.428 0.000 2.407 110 N HA 0.611 6.605 4.740 2.090 0.000 0.277 110 N C -1.140 174.531 175.510 0.269 0.000 0.995 110 N CA -0.182 53.076 53.050 0.347 0.000 0.903 110 N CB 1.942 40.598 38.487 0.282 0.000 1.218 110 N HN 0.502 nan 8.380 nan 0.000 0.487 111 S N 1.679 117.438 115.700 0.098 0.000 2.537 111 S HA 0.475 6.199 4.470 2.090 0.000 0.271 111 S C -1.892 172.576 174.600 -0.221 0.000 1.148 111 S CA -0.613 57.412 58.200 -0.291 0.000 0.868 111 S CB 0.960 63.516 63.200 -1.073 0.000 1.115 111 S HN 0.294 nan 8.310 nan 0.000 0.461 112 L N 3.838 124.876 121.223 -0.309 0.000 2.282 112 L HA 0.645 6.239 4.340 2.090 0.000 0.288 112 L C -1.251 175.378 176.870 -0.401 0.000 1.033 112 L CA -0.253 54.486 54.840 -0.168 0.000 0.807 112 L CB 0.574 42.599 42.059 -0.058 0.000 1.209 112 L HN 0.680 nan 8.230 nan 0.000 0.423 113 F N 4.098 124.025 119.950 -0.037 0.000 2.427 113 F HA 0.589 6.367 4.527 2.085 0.000 0.346 113 F C 0.133 175.974 175.800 0.068 0.000 1.120 113 F CA -0.573 57.390 58.000 -0.062 0.000 1.033 113 F CB 1.887 40.890 39.000 0.006 0.000 1.126 113 F HN 0.187 nan 8.300 nan 0.000 0.462 114 V N 4.258 124.164 119.914 -0.013 0.000 2.656 114 V HA 0.443 5.817 4.120 2.090 0.000 0.307 114 V C -0.680 175.369 176.094 -0.076 0.000 1.051 114 V CA -0.785 61.495 62.300 -0.034 0.000 0.893 114 V CB 1.763 33.407 31.823 -0.300 0.000 0.999 114 V HN 0.723 nan 8.190 nan 0.000 0.426 115 Q N 4.912 124.742 119.800 0.050 0.000 2.304 115 Q HA 0.015 5.609 4.340 2.090 0.000 0.315 115 Q C 0.293 176.383 176.000 0.150 0.000 1.075 115 Q CA 1.198 57.021 55.803 0.033 0.000 0.988 115 Q CB -0.220 28.475 28.738 -0.072 0.000 1.146 115 Q HN 0.848 nan 8.270 nan 0.000 0.383 116 N N 2.636 121.426 118.700 0.149 0.000 2.293 116 N HA 0.096 6.090 4.740 2.090 0.000 0.253 116 N C 0.799 176.495 175.510 0.309 0.000 1.248 116 N CA 0.974 54.160 53.050 0.225 0.000 0.845 116 N CB 0.147 38.678 38.487 0.073 0.000 1.073 116 N HN 0.893 nan 8.380 nan 0.000 0.464 117 G N 1.285 110.233 108.800 0.247 0.000 2.268 117 G HA2 -0.288 4.926 3.960 2.090 0.000 0.240 117 G HA3 -0.288 4.926 3.960 2.090 0.000 0.240 117 G C -0.058 175.019 174.900 0.296 0.000 1.010 117 G CA -0.472 44.749 45.100 0.202 0.000 0.618 117 G HN 0.466 nan 8.290 nan 0.000 0.516 118 F N 2.975 123.037 119.950 0.187 0.000 2.504 118 F HA 0.398 6.180 4.527 2.092 0.000 0.369 118 F C 1.203 177.169 175.800 0.276 0.000 1.082 118 F CA -0.872 57.230 58.000 0.170 0.000 1.216 118 F CB 0.382 39.448 39.000 0.110 0.000 1.108 118 F HN 0.205 nan 8.300 nan 0.000 0.554 119 H N 3.465 122.641 119.070 0.178 0.000 2.764 119 H HA 0.340 6.150 4.556 2.091 0.000 0.341 119 H C -1.088 174.334 175.328 0.157 0.000 1.072 119 H CA -0.221 55.912 56.048 0.141 0.000 1.444 119 H CB 0.997 30.779 29.762 0.033 0.000 1.458 119 H HN 0.328 nan 8.280 nan 0.000 0.572 120 V N 6.034 125.699 119.914 -0.415 0.000 2.417 120 V HA 0.027 5.401 4.120 2.090 0.000 0.291 120 V C 0.138 175.876 176.094 -0.593 0.000 1.024 120 V CA -1.156 60.935 62.300 -0.348 0.000 0.861 120 V CB 1.357 33.134 31.823 -0.077 0.000 0.985 120 V HN 0.809 nan 8.190 nan 0.000 0.436 121 N N 3.027 121.541 118.700 -0.311 0.000 2.357 121 N HA -0.047 5.947 4.740 2.090 0.000 0.257 121 N C 1.096 176.614 175.510 0.014 0.000 1.250 121 N CA 0.172 53.173 53.050 -0.081 0.000 0.862 121 N CB 1.036 39.549 38.487 0.042 0.000 1.066 121 N HN 0.814 nan 8.380 nan 0.000 0.468 122 E N 2.145 122.374 120.200 0.049 0.000 2.150 122 E HA -0.149 5.454 4.350 2.090 0.000 0.193 122 E C 1.225 177.866 176.600 0.068 0.000 0.985 122 E CA 1.227 57.662 56.400 0.058 0.000 0.814 122 E CB 0.137 29.880 29.700 0.072 0.000 0.752 122 E HN 0.601 nan 8.360 nan 0.000 0.466 123 E N -0.853 119.400 120.200 0.088 0.000 2.047 123 E HA -0.166 5.438 4.350 2.090 0.000 0.191 123 E C 1.784 178.441 176.600 0.094 0.000 0.987 123 E CA 0.935 57.385 56.400 0.083 0.000 0.799 123 E CB -0.241 29.512 29.700 0.088 0.000 0.752 123 E HN 0.348 nan 8.360 nan 0.000 0.449 124 F N 1.504 121.439 119.950 -0.026 0.000 2.095 124 F HA -0.228 5.552 4.527 2.089 0.000 0.298 124 F C 2.202 177.967 175.800 -0.058 0.000 1.104 124 F CA 1.290 59.256 58.000 -0.056 0.000 1.232 124 F CB -0.346 38.608 39.000 -0.077 0.000 0.987 124 F HN -0.006 nan 8.300 nan 0.000 0.475 125 L N -0.048 121.205 121.223 0.051 0.000 2.042 125 L HA -0.268 5.326 4.340 2.090 0.000 0.210 125 L C 2.560 179.370 176.870 -0.101 0.000 1.076 125 L CA 1.362 56.176 54.840 -0.043 0.000 0.749 125 L CB -0.523 41.552 42.059 0.027 0.000 0.893 125 L HN 0.186 nan 8.230 nan 0.000 0.432 126 Q N -0.779 118.991 119.800 -0.051 0.000 2.084 126 Q HA -0.218 5.376 4.340 2.090 0.000 0.202 126 Q C 2.208 178.176 176.000 -0.052 0.000 0.978 126 Q CA 1.812 57.590 55.803 -0.043 0.000 0.844 126 Q CB -0.329 28.407 28.738 -0.005 0.000 0.898 126 Q HN 0.576 nan 8.270 nan 0.000 0.426 127 M N -0.478 119.100 119.600 -0.038 0.000 2.080 127 M HA -0.195 5.539 4.480 2.090 0.000 0.260 127 M C 2.103 178.440 176.300 0.061 0.000 1.068 127 M CA 1.234 56.582 55.300 0.080 0.000 1.109 127 M CB -0.323 32.260 32.600 -0.030 0.000 1.342 127 M HN 0.192 nan 8.290 nan 0.000 0.405 128 M N 0.176 119.631 119.600 -0.242 0.000 2.082 128 M HA -0.246 5.488 4.480 2.090 0.000 0.258 128 M C 2.095 178.384 176.300 -0.020 0.000 1.069 128 M CA 1.850 57.013 55.300 -0.229 0.000 1.102 128 M CB -1.332 31.005 32.600 -0.438 0.000 1.336 128 M HN 0.252 nan 8.290 nan 0.000 0.404 129 K N 0.137 120.494 120.400 -0.072 0.000 2.057 129 K HA -0.149 5.425 4.320 2.090 0.000 0.206 129 K C 1.926 178.462 176.600 -0.107 0.000 1.050 129 K CA 1.275 57.525 56.287 -0.061 0.000 0.935 129 K CB 0.152 32.612 32.500 -0.067 0.000 0.715 129 K HN 0.283 nan 8.250 nan 0.000 0.439 130 K N -1.070 119.212 120.400 -0.197 0.000 2.166 130 K HA -0.046 5.528 4.320 2.090 0.000 0.201 130 K C 1.537 177.779 176.600 -0.597 0.000 1.052 130 K CA 1.004 57.010 56.287 -0.467 0.000 0.969 130 K CB 0.182 32.238 32.500 -0.740 0.000 0.761 130 K HN 0.184 nan 8.250 nan 0.000 0.459 131 Y N -1.959 118.318 120.300 -0.038 0.000 2.483 131 Y HA 0.178 5.981 4.550 2.089 0.000 0.258 131 Y C 1.151 176.883 175.900 -0.280 0.000 1.083 131 Y CA -0.112 57.886 58.100 -0.170 0.000 1.283 131 Y CB 0.413 38.725 38.460 -0.247 0.000 1.178 131 Y HN -0.106 nan 8.280 nan 0.000 0.515 132 F N -0.096 119.846 119.950 -0.013 0.000 2.678 132 F HA 0.223 6.002 4.527 2.087 0.000 0.305 132 F C 0.294 176.077 175.800 -0.028 0.000 1.090 132 F CA -0.502 57.494 58.000 -0.007 0.000 1.272 132 F CB -0.528 38.464 39.000 -0.014 0.000 1.060 132 F HN -0.089 nan 8.300 nan 0.000 0.576 133 N N 0.683 119.425 118.700 0.070 0.000 2.725 133 N HA -0.158 5.836 4.740 2.090 0.000 0.251 133 N C -0.654 174.917 175.510 0.100 0.000 1.031 133 N CA 0.392 53.457 53.050 0.025 0.000 0.720 133 N CB -0.622 37.829 38.487 -0.061 0.000 0.930 133 N HN 0.298 nan 8.380 nan 0.000 0.543 134 A N -0.305 122.581 122.820 0.111 0.000 2.449 134 A HA 0.888 6.462 4.320 2.090 0.000 0.302 134 A C -0.357 177.248 177.584 0.036 0.000 1.048 134 A CA 0.052 52.155 52.037 0.109 0.000 0.708 134 A CB 1.737 20.794 19.000 0.095 0.000 1.274 134 A HN 0.371 nan 8.150 nan 0.000 0.410 135 A N 0.758 123.588 122.820 0.016 0.000 2.311 135 A HA 0.779 6.352 4.320 2.090 0.000 0.334 135 A C -0.795 176.640 177.584 -0.248 0.000 1.139 135 A CA -0.532 51.459 52.037 -0.078 0.000 0.830 135 A CB 1.212 20.222 19.000 0.016 0.000 1.234 135 A HN 1.295 nan 8.150 nan 0.000 0.483 136 V N 1.874 121.657 119.914 -0.218 0.000 2.378 136 V HA 0.326 5.700 4.120 2.090 0.000 0.288 136 V C -0.509 175.395 176.094 -0.317 0.000 1.016 136 V CA -0.514 61.627 62.300 -0.265 0.000 0.840 136 V CB 1.107 32.862 31.823 -0.112 0.000 0.994 136 V HN 0.914 nan 8.190 nan 0.000 0.431 137 N N 2.506 120.891 118.700 -0.525 0.000 2.443 137 N HA 0.483 6.477 4.740 2.090 0.000 0.269 137 N C -0.965 174.372 175.510 -0.287 0.000 0.985 137 N CA -0.706 52.096 53.050 -0.414 0.000 0.921 137 N CB 1.178 39.245 38.487 -0.700 0.000 1.195 137 N HN 0.690 nan 8.380 nan 0.000 0.492 138 H N 0.468 119.444 119.070 -0.155 0.000 2.722 138 H HA 0.360 6.171 4.556 2.091 0.000 0.328 138 H C 0.187 175.378 175.328 -0.228 0.000 1.067 138 H CA -0.177 55.787 56.048 -0.140 0.000 1.447 138 H CB 0.571 30.282 29.762 -0.086 0.000 1.469 138 H HN 0.223 nan 8.280 nan 0.000 0.544 139 V N -0.049 119.715 119.914 -0.251 0.000 3.181 139 V HA 0.377 5.751 4.120 2.090 0.000 0.308 139 V C -0.672 175.161 176.094 -0.435 0.000 1.214 139 V CA -1.180 60.858 62.300 -0.436 0.000 1.053 139 V CB 2.437 33.864 31.823 -0.660 0.000 1.069 139 V HN 0.620 nan 8.190 nan 0.000 0.441 140 D N 0.187 120.354 120.400 -0.389 0.000 2.412 140 D HA 0.437 6.331 4.640 2.090 0.000 0.224 140 D C 0.264 176.389 176.300 -0.291 0.000 1.093 140 D CA -0.467 53.386 54.000 -0.244 0.000 0.850 140 D CB 0.761 41.481 40.800 -0.132 0.000 1.046 140 D HN 0.484 nan 8.370 nan 0.000 0.507 141 F N 1.363 121.202 119.950 -0.185 0.000 2.604 141 F HA -0.101 5.678 4.527 2.086 0.000 0.298 141 F C 2.543 178.241 175.800 -0.171 0.000 1.131 141 F CA 0.471 58.307 58.000 -0.274 0.000 1.457 141 F CB 0.241 39.080 39.000 -0.269 0.000 1.095 141 F HN 0.373 nan 8.300 nan 0.000 0.574 142 S N -0.703 115.030 115.700 0.055 0.000 2.481 142 S HA -0.094 5.630 4.470 2.090 0.000 0.231 142 S C 0.793 175.406 174.600 0.023 0.000 0.996 142 S CA 0.174 58.403 58.200 0.048 0.000 0.942 142 S CB -0.428 62.805 63.200 0.055 0.000 0.768 142 S HN 0.411 nan 8.310 nan 0.000 0.520 143 Q N 1.819 121.607 119.800 -0.020 0.000 2.681 143 Q HA 0.332 5.925 4.340 2.090 0.000 0.222 143 Q C -0.151 175.837 176.000 -0.021 0.000 1.258 143 Q CA -0.474 55.316 55.803 -0.023 0.000 1.014 143 Q CB 0.349 29.057 28.738 -0.050 0.000 1.384 143 Q HN 0.307 nan 8.270 nan 0.000 0.570 144 N N 0.751 119.476 118.700 0.041 0.000 2.036 144 N HA -0.184 5.810 4.740 2.090 0.000 0.195 144 N C 1.571 177.147 175.510 0.110 0.000 1.037 144 N CA 1.302 54.422 53.050 0.117 0.000 0.855 144 N CB -0.196 38.382 38.487 0.151 0.000 1.033 144 N HN 0.229 nan 8.380 nan 0.000 0.423 145 V N 0.960 120.916 119.914 0.069 0.000 2.307 145 V HA -0.147 5.227 4.120 2.090 0.000 0.245 145 V C 2.352 178.467 176.094 0.034 0.000 1.045 145 V CA 1.756 64.093 62.300 0.061 0.000 1.024 145 V CB -1.142 30.708 31.823 0.045 0.000 0.651 145 V HN 0.358 nan 8.190 nan 0.000 0.449 146 A N -0.437 122.385 122.820 0.005 0.000 1.908 146 A HA -0.200 5.374 4.320 2.090 0.000 0.218 146 A C 2.471 180.032 177.584 -0.038 0.000 1.181 146 A CA 2.244 54.276 52.037 -0.008 0.000 0.627 146 A CB -0.802 18.179 19.000 -0.031 0.000 0.818 146 A HN 0.333 nan 8.150 nan 0.000 0.445 147 V N -0.505 119.328 119.914 -0.135 0.000 2.453 147 V HA -0.068 5.305 4.120 2.090 0.000 0.247 147 V C 2.791 178.744 176.094 -0.236 0.000 1.048 147 V CA 2.020 64.139 62.300 -0.303 0.000 1.049 147 V CB -0.593 30.882 31.823 -0.580 0.000 0.672 147 V HN 0.602 nan 8.190 nan 0.000 0.457 148 A N -0.224 122.570 122.820 -0.044 0.000 1.902 148 A HA -0.256 5.318 4.320 2.090 0.000 0.217 148 A C 1.994 179.624 177.584 0.077 0.000 1.181 148 A CA 2.214 54.351 52.037 0.167 0.000 0.623 148 A CB -0.931 18.247 19.000 0.297 0.000 0.818 148 A HN 0.721 nan 8.150 nan 0.000 0.443 149 N N -2.024 116.710 118.700 0.057 0.000 2.069 149 N HA -0.214 5.780 4.740 2.090 0.000 0.191 149 N C 1.795 177.332 175.510 0.045 0.000 1.031 149 N CA 1.675 54.753 53.050 0.048 0.000 0.852 149 N CB -0.296 38.221 38.487 0.050 0.000 1.018 149 N HN 0.635 nan 8.380 nan 0.000 0.423 150 Y N 1.810 122.073 120.300 -0.061 0.000 2.163 150 Y HA -0.111 5.695 4.550 2.094 0.000 0.288 150 Y C 2.131 178.017 175.900 -0.024 0.000 1.136 150 Y CA 1.288 59.363 58.100 -0.042 0.000 1.147 150 Y CB -0.216 38.188 38.460 -0.093 0.000 0.987 150 Y HN 0.001 nan 8.280 nan 0.000 0.509 151 I N 0.409 120.963 120.570 -0.027 0.000 2.151 151 I HA -0.410 5.014 4.170 2.090 0.000 0.243 151 I C 1.976 178.112 176.117 0.032 0.000 1.080 151 I CA 1.585 62.770 61.300 -0.191 0.000 1.339 151 I CB -0.546 37.206 38.000 -0.413 0.000 1.039 151 I HN 0.329 nan 8.210 nan 0.000 0.409 152 N N 0.863 119.579 118.700 0.028 0.000 2.104 152 N HA -0.171 5.823 4.740 2.090 0.000 0.190 152 N C 1.775 177.294 175.510 0.015 0.000 1.024 152 N CA 1.196 54.273 53.050 0.044 0.000 0.853 152 N CB -0.264 38.243 38.487 0.033 0.000 1.008 152 N HN 0.311 nan 8.380 nan 0.000 0.424 153 K N -0.212 120.163 120.400 -0.043 0.000 2.057 153 K HA -0.125 5.449 4.320 2.090 0.000 0.206 153 K C 1.957 178.498 176.600 -0.098 0.000 1.050 153 K CA 0.461 56.689 56.287 -0.098 0.000 0.935 153 K CB -0.529 31.879 32.500 -0.154 0.000 0.715 153 K HN 0.323 nan 8.250 nan 0.000 0.439 154 W N 1.701 122.847 121.300 -0.257 0.000 2.338 154 W HA -0.231 5.680 4.660 2.085 0.000 0.304 154 W C 1.867 178.379 176.519 -0.013 0.000 1.212 154 W CA 1.256 58.522 57.345 -0.132 0.000 1.264 154 W CB -0.214 29.261 29.460 0.026 0.000 1.142 154 W HN -0.246 nan 8.180 nan 0.000 0.512 155 V N 0.717 120.796 119.914 0.274 0.000 2.358 155 V HA -0.295 5.078 4.120 2.090 0.000 0.246 155 V C 2.099 178.150 176.094 -0.071 0.000 1.047 155 V CA 2.368 64.757 62.300 0.149 0.000 1.035 155 V CB -0.899 31.072 31.823 0.246 0.000 0.658 155 V HN 0.194 nan 8.190 nan 0.000 0.452 156 E N 0.196 120.349 120.200 -0.078 0.000 2.051 156 E HA -0.251 5.353 4.350 2.090 0.000 0.192 156 E C 2.208 178.692 176.600 -0.194 0.000 0.991 156 E CA 1.335 57.656 56.400 -0.132 0.000 0.799 156 E CB -0.350 29.282 29.700 -0.114 0.000 0.748 156 E HN 0.605 nan 8.360 nan 0.000 0.449 157 N N 0.955 119.513 118.700 -0.236 0.000 2.272 157 N HA -0.174 5.820 4.740 2.090 0.000 0.185 157 N C 0.990 176.297 175.510 -0.338 0.000 1.014 157 N CA 1.104 53.986 53.050 -0.280 0.000 0.870 157 N CB -0.033 38.266 38.487 -0.314 0.000 0.975 157 N HN 0.114 nan 8.380 nan 0.000 0.433 158 N N -1.090 117.349 118.700 -0.436 0.000 2.336 158 N HA 0.002 5.996 4.740 2.090 0.000 0.189 158 N C 0.296 175.671 175.510 -0.225 0.000 1.113 158 N CA 0.683 53.484 53.050 -0.414 0.000 0.858 158 N CB 0.538 38.625 38.487 -0.666 0.000 0.970 158 N HN 0.272 nan 8.380 nan 0.000 0.471 159 T N -3.512 110.927 114.554 -0.192 0.000 3.252 159 T HA 0.273 5.877 4.350 2.090 0.000 0.286 159 T C -0.055 174.512 174.700 -0.221 0.000 1.013 159 T CA -0.609 61.406 62.100 -0.142 0.000 0.914 159 T CB -0.647 68.167 68.868 -0.090 0.000 1.131 159 T HN 0.097 nan 8.240 nan 0.000 0.529 160 N N 3.135 121.709 118.700 -0.210 0.000 2.725 160 N HA -0.219 5.775 4.740 2.090 0.000 0.249 160 N C -0.397 174.963 175.510 -0.251 0.000 1.103 160 N CA 0.320 53.237 53.050 -0.222 0.000 0.707 160 N CB -1.135 37.208 38.487 -0.241 0.000 1.043 160 N HN 0.528 nan 8.380 nan 0.000 0.553 161 N N -2.084 116.479 118.700 -0.228 0.000 2.753 161 N HA -0.209 5.785 4.740 2.090 0.000 0.251 161 N C 0.362 175.704 175.510 -0.281 0.000 1.097 161 N CA 0.955 53.876 53.050 -0.216 0.000 0.786 161 N CB -0.814 37.568 38.487 -0.175 0.000 1.137 161 N HN 0.287 nan 8.380 nan 0.000 0.566 162 L N 0.081 121.068 121.223 -0.394 0.000 2.270 162 L HA 0.143 5.737 4.340 2.090 0.000 0.210 162 L C 0.907 177.473 176.870 -0.506 0.000 1.104 162 L CA 1.020 55.511 54.840 -0.583 0.000 0.804 162 L CB -0.018 41.415 42.059 -1.043 0.000 0.937 162 L HN 0.017 nan 8.230 nan 0.000 0.450 163 V N 1.666 121.412 119.914 -0.280 0.000 2.318 163 V HA 0.269 5.643 4.120 2.090 0.000 0.271 163 V C 0.257 176.302 176.094 -0.081 0.000 1.030 163 V CA -0.812 61.405 62.300 -0.137 0.000 0.844 163 V CB 0.850 32.678 31.823 0.008 0.000 1.015 163 V HN 0.170 nan 8.190 nan 0.000 0.460 164 K N 2.362 122.720 120.400 -0.069 0.000 2.166 164 K HA 0.442 6.016 4.320 2.090 0.000 0.245 164 K C -0.188 176.420 176.600 0.014 0.000 0.967 164 K CA -0.875 55.391 56.287 -0.035 0.000 0.863 164 K CB 1.221 33.689 32.500 -0.053 0.000 1.107 164 K HN 0.592 nan 8.250 nan 0.000 0.436 165 D N 1.517 121.929 120.400 0.020 0.000 2.686 165 D HA -0.188 5.706 4.640 2.090 0.000 0.235 165 D C 0.826 177.158 176.300 0.053 0.000 1.160 165 D CA 0.370 54.392 54.000 0.036 0.000 0.645 165 D CB -0.538 40.281 40.800 0.032 0.000 1.039 165 D HN 0.402 nan 8.370 nan 0.000 0.423 166 L N -0.076 121.188 121.223 0.068 0.000 2.012 166 L HA -0.140 5.454 4.340 2.090 0.000 0.210 166 L C 1.224 178.138 176.870 0.074 0.000 1.073 166 L CA 1.759 56.651 54.840 0.086 0.000 0.748 166 L CB 0.101 42.231 42.059 0.119 0.000 0.891 166 L HN 0.266 nan 8.230 nan 0.000 0.431 167 V N -5.015 114.946 119.914 0.080 0.000 3.126 167 V HA 0.786 6.160 4.120 2.090 0.000 0.314 167 V C -0.219 175.910 176.094 0.059 0.000 1.138 167 V CA -0.677 61.659 62.300 0.061 0.000 1.034 167 V CB 1.644 33.559 31.823 0.154 0.000 1.075 167 V HN 0.037 nan 8.190 nan 0.000 0.442 168 S N 1.057 116.757 115.700 0.001 0.000 2.599 168 S HA 0.621 6.345 4.470 2.090 0.000 0.287 168 S C -2.302 172.329 174.600 0.053 0.000 1.105 168 S CA -0.981 57.233 58.200 0.024 0.000 0.899 168 S CB 2.154 65.342 63.200 -0.020 0.000 1.100 168 S HN 0.712 nan 8.310 nan 0.000 0.482 169 P HA -0.163 nan 4.420 nan 0.000 0.216 169 P C 1.443 178.793 177.300 0.085 0.000 1.150 169 P CA 1.056 64.263 63.100 0.179 0.000 0.837 169 P CB -0.014 31.754 31.700 0.114 0.000 0.786 170 R N -0.003 120.490 120.500 -0.012 0.000 2.170 170 R HA -0.150 5.444 4.340 2.090 0.000 0.242 170 R C 1.091 177.285 176.300 -0.176 0.000 1.145 170 R CA 1.804 57.867 56.100 -0.063 0.000 0.984 170 R CB -1.309 28.959 30.300 -0.055 0.000 0.869 170 R HN 0.115 nan 8.270 nan 0.000 0.455 171 D N 0.175 120.348 120.400 -0.379 0.000 2.378 171 D HA -0.091 5.803 4.640 2.090 0.000 0.222 171 D C 0.367 176.146 176.300 -0.869 0.000 0.980 171 D CA 0.948 54.537 54.000 -0.685 0.000 0.907 171 D CB 0.028 40.258 40.800 -0.949 0.000 0.899 171 D HN 0.426 nan 8.370 nan 0.000 0.527 172 F N -0.041 119.892 119.950 -0.028 0.000 2.735 172 F HA 0.201 5.980 4.527 2.087 0.000 0.308 172 F C 1.425 177.198 175.800 -0.044 0.000 1.112 172 F CA -0.622 57.351 58.000 -0.045 0.000 1.235 172 F CB 0.610 39.627 39.000 0.029 0.000 1.027 172 F HN -0.312 nan 8.300 nan 0.000 0.528 173 D N 1.724 122.143 120.400 0.033 0.000 2.097 173 D HA -0.082 5.812 4.640 2.090 0.000 0.195 173 D C 1.456 177.758 176.300 0.003 0.000 0.989 173 D CA 0.954 54.966 54.000 0.020 0.000 0.827 173 D CB -0.200 40.596 40.800 -0.008 0.000 0.966 173 D HN 0.217 nan 8.370 nan 0.000 0.456 174 A N 0.536 123.340 122.820 -0.027 0.000 2.425 174 A HA 0.497 6.071 4.320 2.090 0.000 0.249 174 A C 0.325 177.865 177.584 -0.073 0.000 1.084 174 A CA 0.026 52.042 52.037 -0.035 0.000 0.781 174 A CB 0.266 19.243 19.000 -0.038 0.000 1.019 174 A HN 0.185 nan 8.150 nan 0.000 0.490 175 A N 2.179 124.946 122.820 -0.087 0.000 2.580 175 A HA 0.459 6.033 4.320 2.090 0.000 0.244 175 A C 0.820 178.146 177.584 -0.431 0.000 1.045 175 A CA 1.096 52.989 52.037 -0.240 0.000 0.761 175 A CB -0.651 18.249 19.000 -0.166 0.000 0.962 175 A HN 1.937 nan 8.150 nan 0.000 0.512 176 T N 0.359 114.512 114.554 -0.668 0.000 2.886 176 T HA 0.643 6.247 4.350 2.090 0.000 0.292 176 T C -0.232 173.775 174.700 -1.156 0.000 1.012 176 T CA -0.412 61.168 62.100 -0.867 0.000 0.982 176 T CB 0.906 69.317 68.868 -0.763 0.000 1.018 176 T HN 0.457 nan 8.240 nan 0.000 0.451 177 Y N 2.091 121.971 120.300 -0.699 0.000 2.423 177 Y HA 0.604 6.408 4.550 2.091 0.000 0.257 177 Y C -0.056 175.533 175.900 -0.518 0.000 1.087 177 Y CA -0.671 57.049 58.100 -0.633 0.000 1.258 177 Y CB 0.944 38.966 38.460 -0.729 0.000 1.237 177 Y HN 0.583 nan 8.280 nan 0.000 0.517 178 L N 0.271 121.222 121.223 -0.454 0.000 2.526 178 L HA 0.870 6.464 4.340 2.090 0.000 0.263 178 L C -1.424 175.328 176.870 -0.196 0.000 0.943 178 L CA -0.991 53.724 54.840 -0.207 0.000 0.859 178 L CB 1.717 43.666 42.059 -0.183 0.000 1.313 178 L HN -0.066 nan 8.230 nan 0.000 0.406 179 A N 4.217 127.078 122.820 0.069 0.000 2.422 179 A HA 0.766 6.340 4.320 2.090 0.000 0.302 179 A C -2.037 175.699 177.584 0.252 0.000 1.041 179 A CA -0.490 51.640 52.037 0.155 0.000 0.708 179 A CB 1.575 20.730 19.000 0.257 0.000 1.257 179 A HN 0.718 nan 8.150 nan 0.000 0.414 180 L N 3.673 125.025 121.223 0.215 0.000 2.272 180 L HA 0.656 6.250 4.340 2.090 0.000 0.289 180 L C -1.127 175.904 176.870 0.269 0.000 1.032 180 L CA -0.399 54.573 54.840 0.220 0.000 0.810 180 L CB 0.857 43.032 42.059 0.194 0.000 1.205 180 L HN 0.525 nan 8.230 nan 0.000 0.422 181 I N 5.405 126.157 120.570 0.303 0.000 2.436 181 I HA 0.412 5.836 4.170 2.090 0.000 0.289 181 I C -0.474 175.841 176.117 0.329 0.000 1.010 181 I CA -0.415 61.087 61.300 0.337 0.000 1.098 181 I CB 1.461 39.733 38.000 0.452 0.000 1.266 181 I HN 0.673 nan 8.210 nan 0.000 0.434 182 N N 5.086 123.978 118.700 0.319 0.000 2.480 182 N HA 0.719 6.713 4.740 2.090 0.000 0.289 182 N C -1.668 173.995 175.510 0.255 0.000 1.073 182 N CA -0.126 53.133 53.050 0.347 0.000 0.885 182 N CB 2.598 41.345 38.487 0.433 0.000 1.421 182 N HN 0.757 nan 8.380 nan 0.000 0.503 183 A N 2.514 125.483 122.820 0.248 0.000 2.498 183 A HA 0.751 6.325 4.320 2.090 0.000 0.298 183 A C -1.496 176.229 177.584 0.236 0.000 1.075 183 A CA -0.624 51.508 52.037 0.158 0.000 0.714 183 A CB 2.026 21.132 19.000 0.176 0.000 1.299 183 A HN 0.410 nan 8.150 nan 0.000 0.407 184 V N 1.468 121.539 119.914 0.262 0.000 2.817 184 V HA 0.656 6.030 4.120 2.090 0.000 0.303 184 V C -2.157 174.225 176.094 0.479 0.000 1.151 184 V CA -0.473 62.068 62.300 0.402 0.000 0.929 184 V CB 1.861 33.983 31.823 0.499 0.000 1.030 184 V HN 1.251 nan 8.190 nan 0.000 0.427 185 Y N 6.726 127.219 120.300 0.322 0.000 2.393 185 Y HA 0.799 6.540 4.550 1.985 0.000 0.341 185 Y C -1.567 174.540 175.900 0.345 0.000 0.988 185 Y CA -1.195 57.081 58.100 0.295 0.000 1.078 185 Y CB 1.999 40.536 38.460 0.130 0.000 1.203 185 Y HN 0.707 nan 8.280 nan 0.000 0.453 186 F N 6.405 125.978 119.950 -0.629 0.000 2.569 186 F HA 0.603 6.370 4.527 2.067 0.000 0.312 186 F C -1.559 173.701 175.800 -0.899 0.000 1.109 186 F CA -0.715 56.946 58.000 -0.565 0.000 0.919 186 F CB 1.423 40.170 39.000 -0.421 0.000 1.211 186 F HN 0.534 nan 8.300 nan 0.000 0.446 187 K N 4.030 123.705 120.400 -1.208 0.000 2.535 187 K HA 0.695 6.269 4.320 2.090 0.000 0.251 187 K C -1.305 174.622 176.600 -1.122 0.000 0.942 187 K CA -0.773 54.970 56.287 -0.907 0.000 0.798 187 K CB 2.000 34.243 32.500 -0.428 0.000 1.267 187 K HN 0.884 nan 8.250 nan 0.000 0.434 188 G N 2.059 110.246 108.800 -1.022 0.000 2.453 188 G HA2 0.336 5.550 3.960 2.090 0.000 0.323 188 G HA3 0.336 5.550 3.960 2.090 0.000 0.323 188 G C -1.225 173.387 174.900 -0.480 0.000 1.198 188 G CA -0.913 43.595 45.100 -0.986 0.000 0.959 188 G HN 0.713 nan 8.290 nan 0.000 0.482 189 N N 0.180 118.756 118.700 -0.207 0.000 2.444 189 N HA 0.204 6.197 4.740 2.090 0.000 0.271 189 N C -0.531 175.082 175.510 0.172 0.000 1.069 189 N CA -0.345 52.673 53.050 -0.054 0.000 0.965 189 N CB 1.161 39.650 38.487 0.003 0.000 1.092 189 N HN 0.533 nan 8.380 nan 0.000 0.476 190 W N 1.836 123.294 121.300 0.262 0.000 2.181 190 W HA 0.059 5.976 4.660 2.095 0.000 0.335 190 W C 1.753 178.316 176.519 0.072 0.000 1.310 190 W CA -0.539 56.901 57.345 0.159 0.000 1.226 190 W CB 0.638 30.152 29.460 0.091 0.000 1.155 190 W HN 0.561 nan 8.180 nan 0.000 0.565 191 K N 1.190 121.772 120.400 0.304 0.000 2.152 191 K HA -0.167 5.407 4.320 2.090 0.000 0.206 191 K C 0.684 177.294 176.600 0.018 0.000 1.048 191 K CA 1.285 57.648 56.287 0.126 0.000 0.933 191 K CB -0.001 32.541 32.500 0.071 0.000 0.721 191 K HN 0.250 nan 8.250 nan 0.000 0.447 192 S N 1.345 117.013 115.700 -0.055 0.000 2.669 192 S HA 0.093 5.817 4.470 2.090 0.000 0.315 192 S C -0.923 173.564 174.600 -0.187 0.000 1.106 192 S CA -1.031 57.048 58.200 -0.202 0.000 1.107 192 S CB 0.908 63.837 63.200 -0.452 0.000 0.990 192 S HN 0.370 nan 8.310 nan 0.000 0.471 193 Q N 3.698 123.472 119.800 -0.044 0.000 2.432 193 Q HA 0.220 5.814 4.340 2.090 0.000 0.264 193 Q C -1.056 174.877 176.000 -0.112 0.000 1.035 193 Q CA 0.192 56.043 55.803 0.080 0.000 0.908 193 Q CB 0.258 29.058 28.738 0.104 0.000 1.280 193 Q HN 0.586 nan 8.270 nan 0.000 0.455 194 F N 0.751 120.727 119.950 0.043 0.000 2.384 194 F HA 0.365 6.147 4.527 2.093 0.000 0.338 194 F C 0.679 176.497 175.800 0.030 0.000 1.103 194 F CA -0.795 57.197 58.000 -0.013 0.000 1.157 194 F CB 1.143 40.135 39.000 -0.014 0.000 1.167 194 F HN 0.375 nan 8.300 nan 0.000 0.529 195 R N 4.200 124.806 120.500 0.177 0.000 2.265 195 R HA 0.175 5.769 4.340 2.090 0.000 0.314 195 R C -1.643 174.749 176.300 0.152 0.000 1.053 195 R CA -1.501 54.680 56.100 0.135 0.000 0.931 195 R CB 0.741 31.095 30.300 0.090 0.000 1.024 195 R HN 0.365 nan 8.270 nan 0.000 0.457 196 P HA -0.178 nan 4.420 nan 0.000 0.219 196 P C 0.008 177.367 177.300 0.098 0.000 1.146 196 P CA 1.246 64.411 63.100 0.108 0.000 0.808 196 P CB 0.395 32.146 31.700 0.086 0.000 0.779 197 E N -0.179 120.076 120.200 0.091 0.000 2.338 197 E HA -0.096 5.508 4.350 2.090 0.000 0.197 197 E C 1.263 177.922 176.600 0.099 0.000 1.007 197 E CA 0.669 57.118 56.400 0.083 0.000 0.849 197 E CB -1.307 28.433 29.700 0.068 0.000 0.774 197 E HN 0.309 nan 8.360 nan 0.000 0.506 198 N N 0.186 118.964 118.700 0.130 0.000 2.280 198 N HA 0.029 6.023 4.740 2.090 0.000 0.192 198 N C -0.441 175.168 175.510 0.166 0.000 1.109 198 N CA 0.258 53.405 53.050 0.161 0.000 0.855 198 N CB 0.458 39.101 38.487 0.259 0.000 0.974 198 N HN 0.022 nan 8.380 nan 0.000 0.482 199 T N 2.108 116.745 114.554 0.138 0.000 2.749 199 T HA 0.385 5.989 4.350 2.090 0.000 0.295 199 T C 0.434 175.218 174.700 0.139 0.000 0.936 199 T CA -0.194 61.976 62.100 0.117 0.000 1.060 199 T CB 1.110 70.028 68.868 0.084 0.000 0.904 199 T HN 0.014 nan 8.240 nan 0.000 0.500 200 R N 1.585 122.202 120.500 0.195 0.000 2.808 200 R HA 0.442 6.036 4.340 2.090 0.000 0.272 200 R C -0.685 175.824 176.300 0.349 0.000 0.995 200 R CA -0.980 55.272 56.100 0.254 0.000 0.917 200 R CB 1.400 31.886 30.300 0.311 0.000 1.217 200 R HN 0.446 nan 8.270 nan 0.000 0.471 201 T N 2.076 116.787 114.554 0.261 0.000 2.834 201 T HA 0.302 5.906 4.350 2.090 0.000 0.298 201 T C -0.574 174.329 174.700 0.339 0.000 0.966 201 T CA 0.484 62.736 62.100 0.253 0.000 1.141 201 T CB -0.077 68.870 68.868 0.133 0.000 0.905 201 T HN 0.155 nan 8.240 nan 0.000 0.535 202 F N 1.205 121.211 119.950 0.093 0.000 2.611 202 F HA 0.528 6.309 4.527 2.091 0.000 0.324 202 F C 0.646 176.510 175.800 0.108 0.000 1.061 202 F CA -1.317 56.738 58.000 0.092 0.000 0.954 202 F CB 1.743 40.809 39.000 0.110 0.000 1.301 202 F HN 0.541 nan 8.300 nan 0.000 0.482 203 S N 1.098 116.941 115.700 0.238 0.000 2.554 203 S HA 0.632 6.356 4.470 2.090 0.000 0.278 203 S C -1.015 173.751 174.600 0.277 0.000 1.242 203 S CA -0.447 57.879 58.200 0.210 0.000 1.051 203 S CB 1.069 64.334 63.200 0.108 0.000 0.986 203 S HN 0.445 nan 8.310 nan 0.000 0.502 204 F N 1.903 121.926 119.950 0.122 0.000 2.449 204 F HA 0.471 6.258 4.527 2.099 0.000 0.342 204 F C -0.303 175.555 175.800 0.096 0.000 1.127 204 F CA -0.477 57.593 58.000 0.117 0.000 0.975 204 F CB 1.651 40.713 39.000 0.103 0.000 1.146 204 F HN 0.638 nan 8.300 nan 0.000 0.444 205 T N 6.674 121.129 114.554 -0.165 0.000 2.747 205 T HA 0.252 5.856 4.350 2.090 0.000 0.301 205 T C 0.054 174.727 174.700 -0.044 0.000 0.952 205 T CA -0.664 61.406 62.100 -0.050 0.000 0.983 205 T CB 0.230 69.044 68.868 -0.089 0.000 0.930 205 T HN 0.469 nan 8.240 nan 0.000 0.494 206 K N 2.043 122.547 120.400 0.172 0.000 2.230 206 K HA 0.087 5.661 4.320 2.090 0.000 0.253 206 K C 0.480 177.121 176.600 0.070 0.000 1.008 206 K CA -0.627 55.767 56.287 0.177 0.000 0.910 206 K CB 0.480 33.082 32.500 0.171 0.000 0.994 206 K HN 0.381 nan 8.250 nan 0.000 0.495 207 D N 1.230 121.661 120.400 0.052 0.000 2.363 207 D HA -0.094 5.800 4.640 2.090 0.000 0.220 207 D C 0.537 176.855 176.300 0.030 0.000 0.994 207 D CA 0.958 54.978 54.000 0.033 0.000 0.890 207 D CB -0.038 40.782 40.800 0.034 0.000 0.906 207 D HN 0.497 nan 8.370 nan 0.000 0.530 208 D N -0.430 119.996 120.400 0.044 0.000 2.491 208 D HA 0.026 5.920 4.640 2.090 0.000 0.228 208 D C 0.289 176.616 176.300 0.044 0.000 1.183 208 D CA -0.158 53.869 54.000 0.045 0.000 0.827 208 D CB -0.212 40.625 40.800 0.062 0.000 0.989 208 D HN 0.025 nan 8.370 nan 0.000 0.494 209 E N -1.143 119.079 120.200 0.037 0.000 3.799 209 E HA -0.228 5.376 4.350 2.090 0.000 0.320 209 E C -0.264 176.362 176.600 0.044 0.000 0.760 209 E CA 1.040 57.456 56.400 0.028 0.000 1.153 209 E CB -1.622 28.087 29.700 0.016 0.000 1.589 209 E HN 0.582 nan 8.360 nan 0.000 0.448 210 S N 0.390 116.131 115.700 0.068 0.000 2.603 210 S HA 0.422 6.146 4.470 2.090 0.000 0.268 210 S C 0.037 174.703 174.600 0.110 0.000 1.317 210 S CA -0.478 57.771 58.200 0.083 0.000 1.012 210 S CB 1.859 65.116 63.200 0.094 0.000 0.926 210 S HN 0.206 nan 8.310 nan 0.000 0.539 211 E N -0.190 120.076 120.200 0.109 0.000 2.238 211 E HA 0.616 6.220 4.350 2.090 0.000 0.267 211 E C -1.343 175.345 176.600 0.148 0.000 0.887 211 E CA -0.928 55.555 56.400 0.137 0.000 0.769 211 E CB 2.219 31.977 29.700 0.095 0.000 1.187 211 E HN 0.519 nan 8.360 nan 0.000 0.416 212 V N 1.981 122.014 119.914 0.197 0.000 2.876 212 V HA 0.350 5.724 4.120 2.090 0.000 0.312 212 V C -1.476 174.720 176.094 0.169 0.000 1.085 212 V CA -0.653 61.739 62.300 0.153 0.000 0.945 212 V CB 2.110 34.006 31.823 0.123 0.000 1.017 212 V HN 0.565 nan 8.190 nan 0.000 0.428 213 Q N 4.625 124.501 119.800 0.126 0.000 2.256 213 Q HA 0.573 6.167 4.340 2.090 0.000 0.254 213 Q C -0.710 175.367 176.000 0.129 0.000 0.916 213 Q CA -0.137 55.747 55.803 0.135 0.000 0.932 213 Q CB 1.550 30.349 28.738 0.100 0.000 1.207 213 Q HN 0.816 nan 8.270 nan 0.000 0.426 214 I N -1.054 119.615 120.570 0.165 0.000 3.074 214 I HA 0.585 6.009 4.170 2.090 0.000 0.310 214 I C -2.783 173.430 176.117 0.159 0.000 1.153 214 I CA -3.071 58.309 61.300 0.133 0.000 0.993 214 I CB 1.598 39.655 38.000 0.095 0.000 1.237 214 I HN 0.197 nan 8.210 nan 0.000 0.443 215 P HA 0.360 nan 4.420 nan 0.000 0.281 215 P C -0.863 176.490 177.300 0.088 0.000 1.286 215 P CA -0.016 63.154 63.100 0.116 0.000 0.772 215 P CB 0.604 32.353 31.700 0.082 0.000 0.862 216 M N 5.490 125.140 119.600 0.085 0.000 2.061 216 M HA 0.323 6.057 4.480 2.090 0.000 0.346 216 M C -0.501 175.746 176.300 -0.088 0.000 1.112 216 M CA -0.342 54.911 55.300 -0.077 0.000 1.021 216 M CB 0.128 32.466 32.600 -0.436 0.000 1.530 216 M HN 0.224 nan 8.290 nan 0.000 0.437 217 M N 4.103 123.619 119.600 -0.139 0.000 2.240 217 M HA 0.260 5.994 4.480 2.090 0.000 0.333 217 M C -0.997 175.292 176.300 -0.018 0.000 1.110 217 M CA -0.071 55.137 55.300 -0.153 0.000 1.173 217 M CB 0.594 32.843 32.600 -0.586 0.000 1.458 217 M HN 0.679 nan 8.290 nan 0.000 0.458 218 Y N 1.806 122.137 120.300 0.050 0.000 2.470 218 Y HA 0.499 6.302 4.550 2.089 0.000 0.341 218 Y C -1.292 174.656 175.900 0.079 0.000 1.021 218 Y CA -0.637 57.424 58.100 -0.066 0.000 1.025 218 Y CB 1.552 39.849 38.460 -0.273 0.000 1.266 218 Y HN 0.743 nan 8.280 nan 0.000 0.448 219 Q N 4.140 123.341 119.800 -0.997 0.000 2.522 219 Q HA 0.350 5.944 4.340 2.090 0.000 0.285 219 Q C -2.156 173.239 176.000 -1.008 0.000 0.982 219 Q CA -1.165 54.008 55.803 -1.049 0.000 0.805 219 Q CB 2.190 30.479 28.738 -0.749 0.000 1.457 219 Q HN 0.767 nan 8.270 nan 0.000 0.394 220 Q N 0.578 119.982 119.800 -0.660 0.000 2.340 220 Q HA 0.683 6.277 4.340 2.090 0.000 0.259 220 Q C -0.999 174.841 176.000 -0.267 0.000 0.964 220 Q CA -0.161 55.437 55.803 -0.343 0.000 0.900 220 Q CB 1.394 30.035 28.738 -0.161 0.000 1.228 220 Q HN 0.837 nan 8.270 nan 0.000 0.449 221 G N 2.383 111.089 108.800 -0.156 0.000 2.606 221 G HA2 0.198 5.412 3.960 2.090 0.000 0.300 221 G HA3 0.198 5.412 3.960 2.090 0.000 0.300 221 G C -1.426 173.232 174.900 -0.404 0.000 1.360 221 G CA -0.640 44.245 45.100 -0.358 0.000 0.783 221 G HN 0.482 nan 8.290 nan 0.000 0.484 222 E N 0.346 120.185 120.200 -0.601 0.000 2.105 222 E HA 0.468 6.072 4.350 2.090 0.000 0.285 222 E C -1.039 175.128 176.600 -0.723 0.000 1.055 222 E CA 0.233 56.330 56.400 -0.506 0.000 0.843 222 E CB 0.952 30.413 29.700 -0.399 0.000 1.067 222 E HN 0.258 nan 8.360 nan 0.000 0.398 223 F N 1.097 120.844 119.950 -0.339 0.000 2.654 223 F HA 0.381 6.161 4.527 2.088 0.000 0.334 223 F C -0.264 175.324 175.800 -0.353 0.000 1.078 223 F CA -1.238 56.594 58.000 -0.280 0.000 0.986 223 F CB 0.928 39.819 39.000 -0.181 0.000 1.362 223 F HN 0.229 nan 8.300 nan 0.000 0.498 224 Y N 0.570 120.988 120.300 0.197 0.000 2.327 224 Y HA 0.406 6.209 4.550 2.089 0.000 0.336 224 Y C -0.850 175.179 175.900 0.215 0.000 1.035 224 Y CA -0.696 57.505 58.100 0.169 0.000 1.165 224 Y CB 0.673 39.211 38.460 0.129 0.000 1.181 224 Y HN 0.393 nan 8.280 nan 0.000 0.494 225 Y N 1.897 122.300 120.300 0.173 0.000 2.421 225 Y HA 0.774 6.577 4.550 2.089 0.000 0.339 225 Y C -0.450 175.498 175.900 0.080 0.000 0.996 225 Y CA -0.998 57.155 58.100 0.088 0.000 1.046 225 Y CB 1.832 40.297 38.460 0.008 0.000 1.226 225 Y HN 0.709 nan 8.280 nan 0.000 0.445 226 G N 3.949 112.443 108.800 -0.511 0.000 2.672 226 G HA2 0.590 5.803 3.960 2.090 0.000 0.292 226 G HA3 0.590 5.803 3.960 2.090 0.000 0.292 226 G C -1.843 172.530 174.900 -0.877 0.000 1.375 226 G CA -1.007 43.737 45.100 -0.594 0.000 0.890 226 G HN 0.582 nan 8.290 nan 0.000 0.476 227 E N -0.563 119.105 120.200 -0.886 0.000 2.212 227 E HA 0.643 6.246 4.350 2.090 0.000 0.268 227 E C -1.519 174.523 176.600 -0.929 0.000 0.902 227 E CA -0.431 55.572 56.400 -0.663 0.000 0.779 227 E CB 2.503 31.979 29.700 -0.373 0.000 1.172 227 E HN 0.300 nan 8.360 nan 0.000 0.409 228 F N 0.129 119.753 119.950 -0.544 0.000 2.613 228 F HA 0.272 6.053 4.527 2.091 0.000 0.310 228 F C 0.221 175.756 175.800 -0.442 0.000 1.085 228 F CA -0.950 56.735 58.000 -0.525 0.000 0.945 228 F CB 2.094 40.659 39.000 -0.726 0.000 1.298 228 F HN 0.253 nan 8.300 nan 0.000 0.455 229 S N 1.136 116.858 115.700 0.037 0.000 2.528 229 S HA 0.094 5.818 4.470 2.090 0.000 0.277 229 S C 0.779 175.550 174.600 0.285 0.000 1.297 229 S CA -0.643 57.620 58.200 0.104 0.000 1.052 229 S CB 0.362 63.620 63.200 0.097 0.000 0.917 229 S HN 0.698 nan 8.310 nan 0.000 0.492 230 D N 3.278 123.865 120.400 0.311 0.000 2.363 230 D HA 0.086 5.980 4.640 2.090 0.000 0.226 230 D C 1.344 177.761 176.300 0.194 0.000 1.020 230 D CA 0.811 55.020 54.000 0.348 0.000 0.892 230 D CB -0.483 40.474 40.800 0.261 0.000 0.900 230 D HN 0.955 nan 8.370 nan 0.000 0.531 231 G N 0.778 109.671 108.800 0.155 0.000 2.234 231 G HA2 -0.370 4.844 3.960 2.090 0.000 0.235 231 G HA3 -0.370 4.844 3.960 2.090 0.000 0.235 231 G C 1.180 176.121 174.900 0.068 0.000 0.997 231 G CA 0.626 45.787 45.100 0.101 0.000 0.623 231 G HN 0.560 nan 8.290 nan 0.000 0.514 232 S N 0.423 116.163 115.700 0.068 0.000 2.515 232 S HA 0.066 5.790 4.470 2.090 0.000 0.231 232 S C 1.292 175.915 174.600 0.039 0.000 0.987 232 S CA 1.237 59.466 58.200 0.047 0.000 0.936 232 S CB -0.464 62.763 63.200 0.046 0.000 0.766 232 S HN 0.898 nan 8.310 nan 0.000 0.528 233 N N 0.935 119.661 118.700 0.043 0.000 2.765 233 N HA -0.183 5.811 4.740 2.090 0.000 0.248 233 N C -0.589 174.936 175.510 0.025 0.000 1.063 233 N CA 1.081 54.149 53.050 0.031 0.000 0.862 233 N CB -0.959 37.543 38.487 0.025 0.000 1.145 233 N HN 0.712 nan 8.380 nan 0.000 0.581 234 E N 0.524 120.740 120.200 0.028 0.000 2.391 234 E HA 0.398 6.002 4.350 2.090 0.000 0.255 234 E C 0.462 177.074 176.600 0.019 0.000 1.187 234 E CA -0.072 56.341 56.400 0.022 0.000 0.941 234 E CB 0.437 30.151 29.700 0.023 0.000 1.010 234 E HN 0.298 nan 8.360 nan 0.000 0.458 235 A N 0.799 123.627 122.820 0.014 0.000 2.520 235 A HA 0.377 5.951 4.320 2.090 0.000 0.245 235 A C 1.269 178.862 177.584 0.014 0.000 1.072 235 A CA 0.555 52.599 52.037 0.011 0.000 0.761 235 A CB -0.648 18.357 19.000 0.007 0.000 1.004 235 A HN 0.780 nan 8.150 nan 0.000 0.499 236 G N 2.276 111.084 108.800 0.013 0.000 2.435 236 G HA2 -0.147 5.067 3.960 2.090 0.000 0.245 236 G HA3 -0.147 5.067 3.960 2.090 0.000 0.245 236 G C 1.286 176.202 174.900 0.027 0.000 1.073 236 G CA 0.617 45.726 45.100 0.016 0.000 0.638 236 G HN 2.266 nan 8.290 nan 0.000 0.521 237 G N 1.457 110.278 108.800 0.035 0.000 2.452 237 G HA2 0.395 5.609 3.960 2.090 0.000 0.290 237 G HA3 0.395 5.609 3.960 2.090 0.000 0.290 237 G C 0.371 175.313 174.900 0.069 0.000 0.717 237 G CA 0.975 46.110 45.100 0.058 0.000 1.967 237 G HN 1.795 nan 8.290 nan 0.000 0.471 238 I N -0.088 120.526 120.570 0.073 0.000 2.865 238 I HA 0.832 6.256 4.170 2.090 0.000 0.302 238 I C -0.752 175.445 176.117 0.134 0.000 1.140 238 I CA -1.912 59.419 61.300 0.052 0.000 1.021 238 I CB 2.304 40.282 38.000 -0.037 0.000 1.233 238 I HN 0.270 nan 8.210 nan 0.000 0.427 239 Y N 1.377 121.734 120.300 0.094 0.000 2.587 239 Y HA 0.724 6.528 4.550 2.090 0.000 0.337 239 Y C -0.864 175.075 175.900 0.065 0.000 1.065 239 Y CA -1.064 57.083 58.100 0.078 0.000 1.126 239 Y CB 1.007 39.508 38.460 0.068 0.000 1.279 239 Y HN 0.602 nan 8.280 nan 0.000 0.489 240 Q N 1.324 121.219 119.800 0.159 0.000 2.235 240 Q HA 0.698 6.292 4.340 2.090 0.000 0.256 240 Q C -1.427 174.583 176.000 0.017 0.000 0.951 240 Q CA -1.263 54.545 55.803 0.009 0.000 0.890 240 Q CB 2.765 31.570 28.738 0.112 0.000 1.279 240 Q HN 0.625 nan 8.270 nan 0.000 0.444 241 V N 2.976 122.821 119.914 -0.115 0.000 2.487 241 V HA 0.447 5.821 4.120 2.090 0.000 0.298 241 V C -1.131 174.926 176.094 -0.061 0.000 1.028 241 V CA -0.763 61.437 62.300 -0.167 0.000 0.860 241 V CB 1.651 33.263 31.823 -0.351 0.000 0.991 241 V HN 0.540 nan 8.190 nan 0.000 0.427 242 L N 4.138 125.357 121.223 -0.006 0.000 2.381 242 L HA 0.645 6.239 4.340 2.090 0.000 0.274 242 L C -0.454 176.467 176.870 0.086 0.000 0.988 242 L CA 0.022 54.906 54.840 0.073 0.000 0.824 242 L CB 1.819 43.875 42.059 -0.006 0.000 1.263 242 L HN 0.782 nan 8.230 nan 0.000 0.410 243 E N 5.297 125.610 120.200 0.189 0.000 2.129 243 E HA 0.477 6.080 4.350 2.090 0.000 0.268 243 E C -1.329 175.444 176.600 0.289 0.000 0.900 243 E CA -0.518 56.013 56.400 0.218 0.000 0.755 243 E CB 1.063 30.899 29.700 0.226 0.000 1.117 243 E HN 0.642 nan 8.360 nan 0.000 0.410 244 I N 6.596 127.279 120.570 0.189 0.000 2.328 244 I HA 0.319 5.743 4.170 2.090 0.000 0.287 244 I C -2.232 173.950 176.117 0.108 0.000 1.012 244 I CA -2.480 58.900 61.300 0.134 0.000 1.195 244 I CB 1.287 39.202 38.000 -0.141 0.000 1.350 244 I HN 0.312 nan 8.210 nan 0.000 0.464 245 P HA 0.155 nan 4.420 nan 0.000 0.275 245 P C -1.115 176.303 177.300 0.196 0.000 1.227 245 P CA 0.044 63.247 63.100 0.171 0.000 0.781 245 P CB 0.351 32.163 31.700 0.187 0.000 0.906 246 Y N -0.029 120.468 120.300 0.329 0.000 2.316 246 Y HA 0.209 6.013 4.550 2.089 0.000 0.324 246 Y C 1.446 177.469 175.900 0.204 0.000 1.267 246 Y CA -0.586 57.678 58.100 0.274 0.000 1.311 246 Y CB 0.524 39.106 38.460 0.203 0.000 1.267 246 Y HN 0.328 nan 8.280 nan 0.000 0.516 247 E N 0.843 121.258 120.200 0.358 0.000 2.568 247 E HA 0.180 5.784 4.350 2.090 0.000 0.262 247 E C 0.883 177.615 176.600 0.221 0.000 0.961 247 E CA 1.421 57.953 56.400 0.219 0.000 0.945 247 E CB -0.007 29.784 29.700 0.152 0.000 0.924 247 E HN 0.745 nan 8.360 nan 0.000 0.467 248 G N 4.035 112.933 108.800 0.163 0.000 2.213 248 G HA2 -0.285 4.929 3.960 2.090 0.000 0.226 248 G HA3 -0.285 4.929 3.960 2.090 0.000 0.226 248 G C 0.510 175.506 174.900 0.160 0.000 0.992 248 G CA 0.265 45.455 45.100 0.151 0.000 0.632 248 G HN 0.717 nan 8.290 nan 0.000 0.511 249 D N -0.860 119.650 120.400 0.182 0.000 2.946 249 D HA -0.160 5.734 4.640 2.090 0.000 0.202 249 D C 1.113 177.512 176.300 0.164 0.000 1.068 249 D CA 1.814 55.913 54.000 0.165 0.000 1.011 249 D CB -0.975 39.900 40.800 0.125 0.000 1.105 249 D HN 0.682 nan 8.370 nan 0.000 0.425 250 E N -0.603 119.708 120.200 0.186 0.000 2.127 250 E HA 0.037 5.641 4.350 2.090 0.000 0.191 250 E C 0.884 177.585 176.600 0.168 0.000 0.964 250 E CA 0.334 56.834 56.400 0.165 0.000 0.832 250 E CB 0.618 30.421 29.700 0.172 0.000 0.790 250 E HN 0.175 nan 8.360 nan 0.000 0.465 251 I N 1.024 121.729 120.570 0.225 0.000 2.498 251 I HA 0.222 5.646 4.170 2.090 0.000 0.301 251 I C 0.157 176.499 176.117 0.374 0.000 0.984 251 I CA -0.396 61.041 61.300 0.227 0.000 1.204 251 I CB 1.405 39.463 38.000 0.097 0.000 1.362 251 I HN -0.045 nan 8.210 nan 0.000 0.471 252 S N 5.232 121.118 115.700 0.311 0.000 2.579 252 S HA 0.676 6.400 4.470 2.090 0.000 0.272 252 S C -0.797 173.939 174.600 0.227 0.000 1.141 252 S CA -0.932 57.413 58.200 0.241 0.000 0.843 252 S CB 2.410 65.706 63.200 0.160 0.000 1.122 252 S HN 0.613 nan 8.310 nan 0.000 0.468 253 M N 3.022 122.717 119.600 0.158 0.000 2.180 253 M HA 0.565 6.299 4.480 2.090 0.000 0.350 253 M C -1.069 175.341 176.300 0.183 0.000 1.125 253 M CA -0.559 54.878 55.300 0.229 0.000 1.031 253 M CB 1.171 33.964 32.600 0.321 0.000 1.623 253 M HN 0.918 nan 8.290 nan 0.000 0.451 254 M N 6.569 126.277 119.600 0.180 0.000 2.149 254 M HA 0.491 6.225 4.480 2.090 0.000 0.342 254 M C -2.091 174.292 176.300 0.139 0.000 1.068 254 M CA -0.576 54.806 55.300 0.136 0.000 0.991 254 M CB 0.854 33.538 32.600 0.141 0.000 1.596 254 M HN 0.750 nan 8.290 nan 0.000 0.439 255 L N 5.632 126.905 121.223 0.082 0.000 2.317 255 L HA 0.678 6.272 4.340 2.090 0.000 0.281 255 L C -0.975 175.903 176.870 0.014 0.000 1.024 255 L CA -1.059 53.841 54.840 0.100 0.000 0.810 255 L CB 1.860 43.893 42.059 -0.044 0.000 1.240 255 L HN 0.412 nan 8.230 nan 0.000 0.427 256 V N 4.269 124.241 119.914 0.096 0.000 2.409 256 V HA 0.439 5.813 4.120 2.090 0.000 0.291 256 V C -0.594 175.548 176.094 0.080 0.000 1.020 256 V CA -0.465 61.817 62.300 -0.031 0.000 0.848 256 V CB 2.001 33.703 31.823 -0.202 0.000 0.990 256 V HN 0.453 nan 8.190 nan 0.000 0.430 257 L N 5.562 126.831 121.223 0.077 0.000 2.372 257 L HA 0.644 6.238 4.340 2.090 0.000 0.273 257 L C 0.508 177.486 176.870 0.180 0.000 0.989 257 L CA 0.174 55.062 54.840 0.080 0.000 0.841 257 L CB 2.013 44.065 42.059 -0.012 0.000 1.225 257 L HN 0.802 nan 8.230 nan 0.000 0.414 258 S N 4.468 120.292 115.700 0.208 0.000 2.596 258 S HA 0.368 6.092 4.470 2.090 0.000 0.260 258 S C 0.451 175.227 174.600 0.294 0.000 1.336 258 S CA -0.489 57.857 58.200 0.244 0.000 0.993 258 S CB 0.587 63.894 63.200 0.179 0.000 0.923 258 S HN 0.796 nan 8.310 nan 0.000 0.567 259 R N 0.424 121.034 120.500 0.183 0.000 2.784 259 R HA 0.037 5.631 4.340 2.090 0.000 0.266 259 R C 1.526 177.797 176.300 -0.049 0.000 1.044 259 R CA 0.164 56.322 56.100 0.096 0.000 1.151 259 R CB 0.098 30.433 30.300 0.059 0.000 1.037 259 R HN 0.869 nan 8.270 nan 0.000 0.478 260 Q N 0.747 120.440 119.800 -0.178 0.000 2.181 260 Q HA -0.199 5.395 4.340 2.090 0.000 0.205 260 Q C 1.324 177.100 176.000 -0.373 0.000 0.980 260 Q CA 1.864 57.367 55.803 -0.499 0.000 0.862 260 Q CB 0.115 28.674 28.738 -0.297 0.000 0.905 260 Q HN 0.617 nan 8.270 nan 0.000 0.429 261 E N -0.191 119.901 120.200 -0.180 0.000 2.489 261 E HA 0.015 5.619 4.350 2.090 0.000 0.193 261 E C 0.006 176.558 176.600 -0.081 0.000 1.057 261 E CA 0.183 56.511 56.400 -0.120 0.000 0.866 261 E CB 0.272 29.930 29.700 -0.071 0.000 0.916 261 E HN 0.033 nan 8.360 nan 0.000 0.500 262 V N 2.944 122.817 119.914 -0.069 0.000 2.472 262 V HA 0.325 5.699 4.120 2.090 0.000 0.290 262 V C -2.333 173.768 176.094 0.011 0.000 1.037 262 V CA -2.139 60.154 62.300 -0.012 0.000 0.908 262 V CB 1.478 33.317 31.823 0.028 0.000 0.985 262 V HN 0.011 nan 8.190 nan 0.000 0.454 263 P HA 0.145 nan 4.420 nan 0.000 0.274 263 P C 0.616 177.954 177.300 0.064 0.000 1.231 263 P CA -0.416 62.711 63.100 0.045 0.000 0.790 263 P CB 0.740 32.456 31.700 0.028 0.000 0.951 264 L N 3.431 124.705 121.223 0.085 0.000 2.079 264 L HA -0.162 5.432 4.340 2.090 0.000 0.210 264 L C 2.061 178.958 176.870 0.044 0.000 1.081 264 L CA 2.221 57.108 54.840 0.078 0.000 0.752 264 L CB -1.609 40.510 42.059 0.100 0.000 0.896 264 L HN 0.424 nan 8.230 nan 0.000 0.433 265 A N -1.083 121.762 122.820 0.043 0.000 2.032 265 A HA -0.262 5.312 4.320 2.090 0.000 0.221 265 A C 2.372 179.962 177.584 0.010 0.000 1.165 265 A CA 2.231 54.286 52.037 0.030 0.000 0.645 265 A CB -1.370 17.645 19.000 0.025 0.000 0.807 265 A HN 0.679 nan 8.150 nan 0.000 0.453 266 T N -2.396 112.162 114.554 0.007 0.000 2.951 266 T HA 0.043 5.647 4.350 2.090 0.000 0.268 266 T C 1.691 176.371 174.700 -0.032 0.000 1.073 266 T CA 1.303 63.401 62.100 -0.002 0.000 1.134 266 T CB -0.332 68.543 68.868 0.012 0.000 0.884 266 T HN 0.341 nan 8.240 nan 0.000 0.479 267 L N -0.089 121.094 121.223 -0.068 0.000 2.249 267 L HA 0.211 5.805 4.340 2.090 0.000 0.207 267 L C 2.869 179.637 176.870 -0.170 0.000 1.090 267 L CA 0.757 55.495 54.840 -0.171 0.000 0.802 267 L CB -0.385 41.504 42.059 -0.283 0.000 0.947 267 L HN 0.303 nan 8.230 nan 0.000 0.453 268 E N 0.656 120.798 120.200 -0.097 0.000 2.097 268 E HA -0.225 5.379 4.350 2.090 0.000 0.196 268 E C -0.777 175.780 176.600 -0.071 0.000 1.000 268 E CA 1.390 57.747 56.400 -0.072 0.000 0.804 268 E CB -0.800 28.952 29.700 0.087 0.000 0.740 268 E HN 0.421 nan 8.360 nan 0.000 0.454 269 P HA -0.118 nan 4.420 nan 0.000 0.225 269 P C 0.669 177.923 177.300 -0.076 0.000 1.148 269 P CA 0.869 63.944 63.100 -0.041 0.000 0.779 269 P CB 0.108 31.792 31.700 -0.027 0.000 0.780 270 L N -1.949 119.208 121.223 -0.111 0.000 2.554 270 L HA -0.001 5.593 4.340 2.090 0.000 0.226 270 L C 0.710 177.457 176.870 -0.205 0.000 1.137 270 L CA 0.517 55.281 54.840 -0.127 0.000 0.863 270 L CB -0.856 41.142 42.059 -0.102 0.000 0.985 270 L HN -0.242 nan 8.230 nan 0.000 0.451 271 V N 1.186 120.955 119.914 -0.241 0.000 2.450 271 V HA 0.121 5.495 4.120 2.090 0.000 0.281 271 V C 0.242 176.191 176.094 -0.242 0.000 1.019 271 V CA 0.217 62.314 62.300 -0.338 0.000 1.062 271 V CB -0.111 31.420 31.823 -0.486 0.000 0.979 271 V HN 0.318 nan 8.190 nan 0.000 0.477 272 K N 2.724 122.945 120.400 -0.298 0.000 2.575 272 K HA 0.602 6.175 4.320 2.090 0.000 0.279 272 K C 0.784 177.235 176.600 -0.249 0.000 0.969 272 K CA -0.225 55.934 56.287 -0.214 0.000 0.868 272 K CB 1.701 34.095 32.500 -0.176 0.000 1.457 272 K HN 0.383 nan 8.250 nan 0.000 0.426 273 A N 0.813 123.533 122.820 -0.165 0.000 1.978 273 A HA -0.244 5.330 4.320 2.090 0.000 0.220 273 A C 2.004 179.474 177.584 -0.191 0.000 1.170 273 A CA 2.141 54.089 52.037 -0.148 0.000 0.636 273 A CB -0.456 18.488 19.000 -0.094 0.000 0.810 273 A HN 0.776 nan 8.150 nan 0.000 0.448 274 Q N -1.105 118.577 119.800 -0.197 0.000 2.083 274 Q HA -0.121 5.473 4.340 2.090 0.000 0.198 274 Q C 1.952 177.768 176.000 -0.306 0.000 0.969 274 Q CA 1.414 57.099 55.803 -0.196 0.000 0.838 274 Q CB -0.257 28.392 28.738 -0.149 0.000 0.900 274 Q HN 0.467 nan 8.270 nan 0.000 0.436 275 L N 0.215 121.172 121.223 -0.443 0.000 1.989 275 L HA -0.187 5.407 4.340 2.090 0.000 0.211 275 L C 2.280 178.488 176.870 -1.104 0.000 1.071 275 L CA 1.589 55.956 54.840 -0.788 0.000 0.749 275 L CB -0.763 40.750 42.059 -0.910 0.000 0.890 275 L HN 0.168 nan 8.230 nan 0.000 0.431 276 V N -0.615 118.772 119.914 -0.878 0.000 2.324 276 V HA -0.324 5.050 4.120 2.090 0.000 0.250 276 V C 2.624 178.589 176.094 -0.214 0.000 1.060 276 V CA 1.893 63.901 62.300 -0.486 0.000 1.042 276 V CB -0.721 31.000 31.823 -0.170 0.000 0.650 276 V HN 0.435 nan 8.190 nan 0.000 0.450 277 E N 0.084 120.160 120.200 -0.208 0.000 2.058 277 E HA -0.235 5.369 4.350 2.090 0.000 0.194 277 E C 2.259 178.813 176.600 -0.077 0.000 0.997 277 E CA 1.764 58.101 56.400 -0.104 0.000 0.801 277 E CB -0.306 29.335 29.700 -0.098 0.000 0.746 277 E HN 0.720 nan 8.360 nan 0.000 0.450 278 E N -0.925 119.174 120.200 -0.168 0.000 2.051 278 E HA -0.188 5.416 4.350 2.090 0.000 0.192 278 E C 1.739 178.394 176.600 0.091 0.000 0.991 278 E CA 1.217 57.579 56.400 -0.064 0.000 0.799 278 E CB -0.180 29.441 29.700 -0.132 0.000 0.748 278 E HN 0.300 nan 8.360 nan 0.000 0.449 279 W N 0.530 121.751 121.300 -0.132 0.000 2.317 279 W HA -0.187 5.726 4.660 2.088 0.000 0.318 279 W C 2.541 179.079 176.519 0.033 0.000 1.227 279 W CA 1.163 58.419 57.345 -0.150 0.000 1.269 279 W CB -1.451 27.866 29.460 -0.239 0.000 1.155 279 W HN 0.242 nan 8.180 nan 0.000 0.484 280 A N 0.503 123.464 122.820 0.235 0.000 1.917 280 A HA -0.239 5.335 4.320 2.090 0.000 0.219 280 A C 1.960 179.601 177.584 0.096 0.000 1.182 280 A CA 2.046 54.158 52.037 0.126 0.000 0.633 280 A CB -0.919 18.121 19.000 0.066 0.000 0.819 280 A HN 0.333 nan 8.150 nan 0.000 0.448 281 N N -0.400 118.365 118.700 0.109 0.000 2.376 281 N HA -0.028 5.966 4.740 2.090 0.000 0.177 281 N C 1.708 177.300 175.510 0.137 0.000 1.024 281 N CA 1.361 54.468 53.050 0.095 0.000 0.893 281 N CB -0.033 38.495 38.487 0.069 0.000 0.980 281 N HN 0.474 nan 8.380 nan 0.000 0.439 282 S N 0.613 116.449 115.700 0.226 0.000 2.439 282 S HA 0.028 5.752 4.470 2.090 0.000 0.224 282 S C 1.182 175.902 174.600 0.201 0.000 1.029 282 S CA -0.190 58.147 58.200 0.228 0.000 0.946 282 S CB -0.113 63.289 63.200 0.337 0.000 0.797 282 S HN 0.218 nan 8.310 nan 0.000 0.504 283 V N 1.325 121.407 119.914 0.280 0.000 2.928 283 V HA 0.293 5.667 4.120 2.090 0.000 0.307 283 V C -0.228 176.012 176.094 0.243 0.000 1.105 283 V CA -0.271 62.172 62.300 0.238 0.000 1.223 283 V CB 0.144 32.131 31.823 0.273 0.000 0.930 283 V HN 0.011 nan 8.190 nan 0.000 0.499 284 K N 2.658 123.201 120.400 0.239 0.000 2.371 284 K HA 0.461 6.035 4.320 2.090 0.000 0.251 284 K C -0.646 176.065 176.600 0.185 0.000 0.934 284 K CA -0.872 55.548 56.287 0.221 0.000 0.798 284 K CB 2.043 34.617 32.500 0.124 0.000 1.204 284 K HN 0.908 nan 8.250 nan 0.000 0.427 285 K N 2.836 123.284 120.400 0.079 0.000 2.339 285 K HA 0.104 5.678 4.320 2.090 0.000 0.286 285 K C -0.531 175.986 176.600 -0.139 0.000 1.050 285 K CA 0.234 56.366 56.287 -0.259 0.000 0.956 285 K CB 0.483 32.763 32.500 -0.366 0.000 0.990 285 K HN 0.702 nan 8.250 nan 0.000 0.475 286 Q N 2.334 122.036 119.800 -0.162 0.000 2.829 286 Q HA 0.229 5.823 4.340 2.090 0.000 0.296 286 Q C -1.490 174.389 176.000 -0.202 0.000 0.893 286 Q CA -1.263 54.458 55.803 -0.137 0.000 0.772 286 Q CB 0.538 29.241 28.738 -0.058 0.000 1.489 286 Q HN 0.303 nan 8.270 nan 0.000 0.420 287 K N 0.970 121.171 120.400 -0.332 0.000 2.368 287 K HA 0.455 6.029 4.320 2.090 0.000 0.282 287 K C -0.895 175.424 176.600 -0.469 0.000 1.035 287 K CA -0.127 55.834 56.287 -0.543 0.000 0.973 287 K CB 1.136 32.964 32.500 -1.120 0.000 0.957 287 K HN 0.363 nan 8.250 nan 0.000 0.474 288 V N 2.753 122.506 119.914 -0.268 0.000 2.789 288 V HA 0.195 5.569 4.120 2.090 0.000 0.311 288 V C -0.544 175.393 176.094 -0.261 0.000 1.073 288 V CA -1.008 61.120 62.300 -0.286 0.000 0.921 288 V CB 2.061 33.651 31.823 -0.389 0.000 1.009 288 V HN 0.706 nan 8.190 nan 0.000 0.426 289 E N 1.933 122.015 120.200 -0.196 0.000 2.167 289 E HA 0.565 6.169 4.350 2.090 0.000 0.284 289 E C -1.251 175.203 176.600 -0.243 0.000 1.016 289 E CA -0.275 56.017 56.400 -0.180 0.000 0.817 289 E CB 1.896 31.644 29.700 0.080 0.000 1.080 289 E HN 0.448 nan 8.360 nan 0.000 0.397 290 V N 4.622 124.266 119.914 -0.449 0.000 2.487 290 V HA 0.288 5.662 4.120 2.090 0.000 0.298 290 V C -1.140 174.797 176.094 -0.262 0.000 1.028 290 V CA -0.817 61.270 62.300 -0.356 0.000 0.860 290 V CB 0.811 32.267 31.823 -0.612 0.000 0.991 290 V HN 0.598 nan 8.190 nan 0.000 0.427 291 Y N 5.458 125.700 120.300 -0.097 0.000 2.334 291 Y HA 0.730 6.533 4.550 2.088 0.000 0.336 291 Y C -0.324 175.460 175.900 -0.194 0.000 0.960 291 Y CA -0.756 57.275 58.100 -0.114 0.000 1.164 291 Y CB 1.773 40.114 38.460 -0.198 0.000 1.155 291 Y HN 0.497 nan 8.280 nan 0.000 0.478 292 L N 6.830 127.981 121.223 -0.120 0.000 2.410 292 L HA 0.700 6.294 4.340 2.090 0.000 0.270 292 L C -2.933 173.844 176.870 -0.155 0.000 0.983 292 L CA -2.696 52.024 54.840 -0.199 0.000 0.822 292 L CB 2.119 43.988 42.059 -0.317 0.000 1.285 292 L HN 0.232 nan 8.230 nan 0.000 0.409 293 P HA 0.166 nan 4.420 nan 0.000 0.271 293 P C -1.238 176.165 177.300 0.172 0.000 1.218 293 P CA -0.240 62.917 63.100 0.095 0.000 0.780 293 P CB 0.422 32.209 31.700 0.144 0.000 0.901 294 R N 4.101 124.651 120.500 0.084 0.000 2.316 294 R HA 0.418 6.012 4.340 2.090 0.000 0.314 294 R C -0.788 175.620 176.300 0.179 0.000 1.069 294 R CA 0.030 56.167 56.100 0.061 0.000 0.959 294 R CB -0.472 29.837 30.300 0.013 0.000 0.987 294 R HN 0.542 nan 8.270 nan 0.000 0.446 295 F N -0.077 119.851 119.950 -0.036 0.000 2.713 295 F HA 0.474 6.250 4.527 2.081 0.000 0.311 295 F C -1.438 174.310 175.800 -0.085 0.000 1.141 295 F CA -0.999 56.968 58.000 -0.055 0.000 0.939 295 F CB 1.541 40.504 39.000 -0.061 0.000 1.325 295 F HN 0.413 nan 8.300 nan 0.000 0.453 296 T N 0.150 114.706 114.554 0.003 0.000 2.908 296 T HA 0.782 6.385 4.350 2.090 0.000 0.290 296 T C -1.595 173.058 174.700 -0.079 0.000 1.034 296 T CA -0.874 61.094 62.100 -0.219 0.000 1.010 296 T CB 1.661 70.360 68.868 -0.281 0.000 1.068 296 T HN 1.355 nan 8.240 nan 0.000 0.481 297 V N 1.841 121.613 119.914 -0.237 0.000 2.841 297 V HA 0.844 6.218 4.120 2.090 0.000 0.310 297 V C -1.396 174.543 176.094 -0.258 0.000 1.090 297 V CA -0.648 61.584 62.300 -0.113 0.000 0.930 297 V CB 1.767 33.645 31.823 0.092 0.000 1.014 297 V HN 1.294 nan 8.190 nan 0.000 0.425 298 E N 4.640 124.779 120.200 -0.102 0.000 2.433 298 E HA 0.696 6.300 4.350 2.090 0.000 0.278 298 E C -1.524 175.143 176.600 0.111 0.000 0.976 298 E CA -0.945 55.457 56.400 0.003 0.000 0.793 298 E CB 2.419 32.158 29.700 0.065 0.000 1.311 298 E HN 0.664 nan 8.360 nan 0.000 0.460 299 Q N 0.947 120.849 119.800 0.169 0.000 2.378 299 Q HA 0.190 5.784 4.340 2.090 0.000 0.262 299 Q C -1.963 174.148 176.000 0.184 0.000 0.978 299 Q CA -0.549 55.358 55.803 0.173 0.000 0.918 299 Q CB 2.278 31.138 28.738 0.203 0.000 1.415 299 Q HN 0.664 nan 8.270 nan 0.000 0.409 300 E N 4.936 125.224 120.200 0.146 0.000 2.151 300 E HA 0.547 6.151 4.350 2.090 0.000 0.275 300 E C -1.216 175.464 176.600 0.134 0.000 0.936 300 E CA -0.654 55.827 56.400 0.135 0.000 0.777 300 E CB 1.251 31.012 29.700 0.101 0.000 1.108 300 E HN 0.612 nan 8.360 nan 0.000 0.401 301 I N 2.298 122.971 120.570 0.172 0.000 2.569 301 I HA 0.423 5.847 4.170 2.090 0.000 0.296 301 I C -1.026 175.153 176.117 0.104 0.000 1.028 301 I CA -0.887 60.490 61.300 0.130 0.000 1.082 301 I CB 1.937 40.019 38.000 0.137 0.000 1.264 301 I HN 0.478 nan 8.210 nan 0.000 0.429 302 D N 6.792 127.216 120.400 0.040 0.000 2.422 302 D HA 0.209 6.103 4.640 2.090 0.000 0.227 302 D C 0.987 177.282 176.300 -0.009 0.000 1.190 302 D CA -0.055 53.949 54.000 0.006 0.000 0.905 302 D CB 0.948 41.724 40.800 -0.040 0.000 1.034 302 D HN 0.677 nan 8.370 nan 0.000 0.507 303 L N 3.413 124.659 121.223 0.039 0.000 2.201 303 L HA -0.129 5.465 4.340 2.090 0.000 0.212 303 L C 2.427 179.288 176.870 -0.014 0.000 1.105 303 L CA 0.794 55.660 54.840 0.043 0.000 0.775 303 L CB -0.122 42.012 42.059 0.126 0.000 0.913 303 L HN 0.406 nan 8.230 nan 0.000 0.440 304 K N 0.220 120.540 120.400 -0.133 0.000 2.026 304 K HA -0.225 5.349 4.320 2.090 0.000 0.208 304 K C 1.670 178.011 176.600 -0.430 0.000 1.048 304 K CA 1.748 57.689 56.287 -0.577 0.000 0.929 304 K CB -0.037 32.023 32.500 -0.735 0.000 0.713 304 K HN 0.209 nan 8.250 nan 0.000 0.439 305 D N 0.386 120.636 120.400 -0.250 0.000 2.092 305 D HA -0.159 5.735 4.640 2.090 0.000 0.193 305 D C 2.026 178.253 176.300 -0.122 0.000 0.994 305 D CA 1.457 55.355 54.000 -0.171 0.000 0.828 305 D CB -0.180 40.551 40.800 -0.115 0.000 0.963 305 D HN 0.062 nan 8.370 nan 0.000 0.450 306 V N 1.324 121.182 119.914 -0.093 0.000 2.332 306 V HA -0.231 5.143 4.120 2.090 0.000 0.248 306 V C 2.665 178.730 176.094 -0.048 0.000 1.055 306 V CA 1.199 63.455 62.300 -0.075 0.000 1.038 306 V CB -0.468 31.303 31.823 -0.086 0.000 0.651 306 V HN 0.214 nan 8.190 nan 0.000 0.450 307 L N -0.739 120.478 121.223 -0.010 0.000 2.093 307 L HA -0.137 5.457 4.340 2.090 0.000 0.208 307 L C 2.572 179.488 176.870 0.076 0.000 1.085 307 L CA 1.439 56.319 54.840 0.068 0.000 0.755 307 L CB -0.749 41.438 42.059 0.213 0.000 0.904 307 L HN 0.269 nan 8.230 nan 0.000 0.435 308 K N 0.687 121.101 120.400 0.024 0.000 2.074 308 K HA -0.187 5.387 4.320 2.090 0.000 0.209 308 K C 2.176 178.778 176.600 0.003 0.000 1.048 308 K CA 1.580 57.880 56.287 0.023 0.000 0.926 308 K CB -0.316 32.146 32.500 -0.063 0.000 0.713 308 K HN 0.299 nan 8.250 nan 0.000 0.444 309 A N 0.768 123.574 122.820 -0.024 0.000 2.125 309 A HA -0.078 5.496 4.320 2.090 0.000 0.219 309 A C 1.661 179.234 177.584 -0.019 0.000 1.156 309 A CA 1.110 53.130 52.037 -0.027 0.000 0.671 309 A CB -0.232 18.743 19.000 -0.041 0.000 0.794 309 A HN 0.181 nan 8.150 nan 0.000 0.459 310 L N -1.576 119.642 121.223 -0.008 0.000 2.741 310 L HA 0.366 5.960 4.340 2.090 0.000 0.237 310 L C 1.543 178.415 176.870 0.005 0.000 1.178 310 L CA 0.631 55.466 54.840 -0.008 0.000 0.973 310 L CB 0.340 42.389 42.059 -0.016 0.000 1.255 310 L HN 0.489 nan 8.230 nan 0.000 0.498 311 G N 0.223 109.028 108.800 0.008 0.000 2.279 311 G HA2 -0.264 4.950 3.960 2.090 0.000 0.223 311 G HA3 -0.264 4.950 3.960 2.090 0.000 0.223 311 G C 0.364 175.281 174.900 0.027 0.000 1.015 311 G CA -0.328 44.770 45.100 -0.002 0.000 0.621 311 G HN 0.202 nan 8.290 nan 0.000 0.506 312 I N 3.168 123.782 120.570 0.072 0.000 2.389 312 I HA 0.365 5.789 4.170 2.090 0.000 0.295 312 I C 1.576 177.835 176.117 0.237 0.000 1.117 312 I CA 1.059 62.429 61.300 0.116 0.000 1.317 312 I CB 0.843 38.928 38.000 0.143 0.000 1.431 312 I HN 0.382 nan 8.210 nan 0.000 0.521 313 T N -0.581 114.074 114.554 0.168 0.000 3.051 313 T HA 0.050 5.654 4.350 2.090 0.000 0.254 313 T C 1.325 176.122 174.700 0.162 0.000 0.916 313 T CA -0.233 62.021 62.100 0.257 0.000 0.894 313 T CB -0.019 68.929 68.868 0.133 0.000 1.251 313 T HN 0.484 nan 8.240 nan 0.000 0.517 314 E N 0.998 121.223 120.200 0.042 0.000 2.150 314 E HA 0.053 5.657 4.350 2.090 0.000 0.193 314 E C 1.931 178.509 176.600 -0.035 0.000 0.985 314 E CA 0.841 57.245 56.400 0.005 0.000 0.814 314 E CB -0.190 29.504 29.700 -0.010 0.000 0.752 314 E HN 0.613 nan 8.360 nan 0.000 0.466 315 I N 0.040 120.512 120.570 -0.163 0.000 2.567 315 I HA -0.203 5.221 4.170 2.090 0.000 0.257 315 I C 0.671 176.638 176.117 -0.251 0.000 1.184 315 I CA 0.879 62.008 61.300 -0.284 0.000 1.451 315 I CB 0.073 37.786 38.000 -0.479 0.000 1.089 315 I HN 0.127 nan 8.210 nan 0.000 0.441 316 F N 1.323 121.348 119.950 0.124 0.000 2.693 316 F HA 0.295 6.075 4.527 2.089 0.000 0.303 316 F C 0.754 176.639 175.800 0.143 0.000 1.097 316 F CA -0.293 57.819 58.000 0.187 0.000 1.330 316 F CB -0.005 39.058 39.000 0.106 0.000 1.067 316 F HN -0.050 nan 8.300 nan 0.000 0.565 317 I N -3.469 117.159 120.570 0.098 0.000 3.239 317 I HA 0.420 5.844 4.170 2.090 0.000 0.314 317 I C 0.785 176.691 176.117 -0.352 0.000 1.126 317 I CA -1.147 60.007 61.300 -0.244 0.000 0.973 317 I CB 1.415 39.346 38.000 -0.115 0.000 1.252 317 I HN -0.315 nan 8.210 nan 0.000 0.463 318 K N 0.365 120.478 120.400 -0.479 0.000 2.515 318 K HA -0.017 5.557 4.320 2.090 0.000 0.196 318 K C 0.263 176.823 176.600 -0.066 0.000 1.038 318 K CA 0.763 56.891 56.287 -0.265 0.000 0.967 318 K CB -0.621 31.756 32.500 -0.205 0.000 0.780 318 K HN 0.584 nan 8.250 nan 0.000 0.483 319 D N 1.514 121.875 120.400 -0.065 0.000 2.349 319 D HA 0.058 5.952 4.640 2.090 0.000 0.224 319 D C 0.177 176.478 176.300 0.001 0.000 1.029 319 D CA 0.146 54.132 54.000 -0.023 0.000 0.879 319 D CB -0.053 40.730 40.800 -0.027 0.000 0.906 319 D HN 0.209 nan 8.370 nan 0.000 0.528 320 A N 1.227 124.062 122.820 0.024 0.000 2.567 320 A HA -0.001 5.573 4.320 2.090 0.000 0.240 320 A C 0.538 178.139 177.584 0.027 0.000 1.053 320 A CA -0.011 52.047 52.037 0.035 0.000 0.755 320 A CB -0.033 19.027 19.000 0.100 0.000 0.978 320 A HN 0.016 nan 8.150 nan 0.000 0.507 321 N N 2.720 121.423 118.700 0.005 0.000 2.500 321 N HA 0.330 6.324 4.740 2.090 0.000 0.236 321 N C -0.522 174.978 175.510 -0.015 0.000 1.022 321 N CA -0.187 52.863 53.050 0.001 0.000 0.935 321 N CB 0.241 38.728 38.487 0.001 0.000 1.147 321 N HN 0.559 nan 8.380 nan 0.000 0.512 322 L N 2.731 123.941 121.223 -0.022 0.000 3.141 322 L HA 0.158 5.752 4.340 2.090 0.000 0.267 322 L C 1.551 178.367 176.870 -0.091 0.000 1.281 322 L CA -0.068 54.731 54.840 -0.068 0.000 1.037 322 L CB 0.134 42.152 42.059 -0.068 0.000 1.407 322 L HN 0.519 nan 8.230 nan 0.000 0.566 323 T N -4.480 110.043 114.554 -0.052 0.000 3.035 323 T HA -0.077 5.527 4.350 2.090 0.000 0.268 323 T C 1.952 176.615 174.700 -0.061 0.000 1.109 323 T CA 0.882 62.958 62.100 -0.041 0.000 1.119 323 T CB -0.085 68.776 68.868 -0.011 0.000 0.900 323 T HN 0.405 nan 8.240 nan 0.000 0.503 324 G N 2.038 110.787 108.800 -0.085 0.000 2.448 324 G HA2 0.030 5.244 3.960 2.090 0.000 0.219 324 G HA3 0.030 5.244 3.960 2.090 0.000 0.219 324 G C 1.371 176.108 174.900 -0.273 0.000 1.127 324 G CA 1.162 46.205 45.100 -0.096 0.000 0.766 324 G HN 0.687 nan 8.290 nan 0.000 0.552 325 L N -3.154 117.797 121.223 -0.453 0.000 2.717 325 L HA 0.600 6.194 4.340 2.090 0.000 0.239 325 L C 0.387 177.053 176.870 -0.340 0.000 1.086 325 L CA 0.218 54.598 54.840 -0.767 0.000 0.897 325 L CB 0.502 41.736 42.059 -1.374 0.000 1.214 325 L HN 0.016 nan 8.230 nan 0.000 0.508 326 S N 0.117 115.713 115.700 -0.174 0.000 2.543 326 S HA 0.309 6.033 4.470 2.090 0.000 0.273 326 S C -0.557 174.054 174.600 0.017 0.000 1.152 326 S CA -0.185 57.992 58.200 -0.038 0.000 0.910 326 S CB 1.004 64.208 63.200 0.006 0.000 1.105 326 S HN 0.435 nan 8.310 nan 0.000 0.465 327 D N 2.248 122.700 120.400 0.088 0.000 2.349 327 D HA -0.038 5.856 4.640 2.090 0.000 0.224 327 D C 0.252 176.551 176.300 -0.001 0.000 1.029 327 D CA -0.138 53.888 54.000 0.042 0.000 0.879 327 D CB -0.285 40.544 40.800 0.047 0.000 0.906 327 D HN 0.369 nan 8.370 nan 0.000 0.528 328 N N 1.918 120.614 118.700 -0.008 0.000 2.442 328 N HA -0.037 5.957 4.740 2.090 0.000 0.265 328 N C 0.683 176.170 175.510 -0.037 0.000 1.138 328 N CA -0.030 52.965 53.050 -0.091 0.000 0.956 328 N CB 1.312 39.667 38.487 -0.220 0.000 1.067 328 N HN 0.041 nan 8.380 nan 0.000 0.474 329 K N 2.379 122.749 120.400 -0.051 0.000 2.366 329 K HA -0.008 5.566 4.320 2.090 0.000 0.198 329 K C 0.512 177.133 176.600 0.034 0.000 1.044 329 K CA 0.644 56.927 56.287 -0.007 0.000 0.973 329 K CB 0.426 32.915 32.500 -0.019 0.000 0.767 329 K HN 0.550 nan 8.250 nan 0.000 0.475 330 E N 0.443 120.655 120.200 0.021 0.000 2.347 330 E HA -0.075 5.529 4.350 2.090 0.000 0.196 330 E C 0.879 177.650 176.600 0.286 0.000 1.008 330 E CA 0.320 56.781 56.400 0.100 0.000 0.852 330 E CB 0.018 29.712 29.700 -0.011 0.000 0.783 330 E HN 0.333 nan 8.360 nan 0.000 0.505 331 I N 1.558 122.294 120.570 0.276 0.000 2.474 331 I HA 0.136 5.560 4.170 2.090 0.000 0.287 331 I C -0.597 175.708 176.117 0.313 0.000 1.048 331 I CA -0.498 60.986 61.300 0.306 0.000 1.383 331 I CB 0.232 38.407 38.000 0.292 0.000 1.412 331 I HN -0.207 nan 8.210 nan 0.000 0.531 332 F N 5.859 125.876 119.950 0.112 0.000 2.685 332 F HA 0.489 6.270 4.527 2.090 0.000 0.315 332 F C -1.719 174.107 175.800 0.043 0.000 1.126 332 F CA -1.280 56.752 58.000 0.052 0.000 0.950 332 F CB 0.898 39.939 39.000 0.068 0.000 1.360 332 F HN 0.102 nan 8.300 nan 0.000 0.469 333 L N 2.568 123.823 121.223 0.052 0.000 2.295 333 L HA 0.259 5.853 4.340 2.090 0.000 0.288 333 L C 0.551 177.515 176.870 0.156 0.000 1.079 333 L CA -0.053 54.790 54.840 0.004 0.000 0.830 333 L CB 1.236 43.288 42.059 -0.010 0.000 1.200 333 L HN 0.960 nan 8.230 nan 0.000 0.438 334 S N 2.851 118.470 115.700 -0.135 0.000 2.414 334 S HA -0.011 5.713 4.470 2.090 0.000 0.227 334 S C 0.328 174.959 174.600 0.051 0.000 1.022 334 S CA 0.790 58.956 58.200 -0.057 0.000 0.958 334 S CB 0.053 63.053 63.200 -0.333 0.000 0.797 334 S HN 0.434 nan 8.310 nan 0.000 0.493 335 K N 0.392 120.830 120.400 0.063 0.000 2.550 335 K HA 0.652 6.226 4.320 2.090 0.000 0.252 335 K C -1.985 174.703 176.600 0.148 0.000 0.943 335 K CA -0.184 56.136 56.287 0.054 0.000 0.806 335 K CB 1.872 34.366 32.500 -0.010 0.000 1.289 335 K HN -0.003 nan 8.250 nan 0.000 0.435 336 A N 5.229 128.139 122.820 0.149 0.000 2.457 336 A HA 0.668 6.242 4.320 2.090 0.000 0.283 336 A C -1.288 176.390 177.584 0.158 0.000 1.166 336 A CA -0.662 51.495 52.037 0.201 0.000 0.740 336 A CB 0.377 19.555 19.000 0.297 0.000 1.181 336 A HN 0.459 nan 8.150 nan 0.000 0.446 337 I N 2.235 122.916 120.570 0.185 0.000 2.474 337 I HA 0.404 5.828 4.170 2.090 0.000 0.294 337 I C -0.349 175.921 176.117 0.255 0.000 1.005 337 I CA -0.365 61.042 61.300 0.179 0.000 1.113 337 I CB 1.604 39.691 38.000 0.146 0.000 1.289 337 I HN 0.881 nan 8.210 nan 0.000 0.436 338 H N 5.278 124.439 119.070 0.152 0.000 2.589 338 H HA 0.575 6.402 4.556 2.118 0.000 0.351 338 H C -1.189 174.258 175.328 0.198 0.000 1.074 338 H CA -0.617 55.544 56.048 0.188 0.000 1.203 338 H CB 1.786 31.655 29.762 0.178 0.000 1.558 338 H HN 0.583 nan 8.280 nan 0.000 0.522 339 K N 3.679 123.854 120.400 -0.375 0.000 2.443 339 K HA 0.523 6.097 4.320 2.090 0.000 0.252 339 K C -1.395 175.091 176.600 -0.189 0.000 0.933 339 K CA -0.646 55.540 56.287 -0.169 0.000 0.792 339 K CB 1.568 34.096 32.500 0.047 0.000 1.185 339 K HN 0.614 nan 8.250 nan 0.000 0.425 340 S N 3.011 118.750 115.700 0.065 0.000 2.532 340 S HA 0.577 6.301 4.470 2.090 0.000 0.301 340 S C -1.550 173.251 174.600 0.336 0.000 1.083 340 S CA -0.622 57.755 58.200 0.296 0.000 1.025 340 S CB 0.805 64.308 63.200 0.505 0.000 1.056 340 S HN 0.526 nan 8.310 nan 0.000 0.494 341 F N 2.918 122.973 119.950 0.175 0.000 2.562 341 F HA 0.662 5.278 4.527 0.149 0.000 0.319 341 F C -1.556 174.206 175.800 -0.062 0.000 1.154 341 F CA -0.908 57.167 58.000 0.124 0.000 0.931 341 F CB 0.950 40.092 39.000 0.236 0.000 1.198 341 F HN 0.461 nan 8.300 nan 0.000 0.444 342 L N 5.823 126.813 121.223 -0.387 0.000 2.365 342 L HA 0.584 6.178 4.340 2.090 0.000 0.273 342 L C -1.307 175.273 176.870 -0.483 0.000 1.000 342 L CA -0.170 54.415 54.840 -0.425 0.000 0.819 342 L CB 1.874 43.681 42.059 -0.419 0.000 1.284 342 L HN 0.713 nan 8.230 nan 0.000 0.418 343 E N 3.623 123.595 120.200 -0.380 0.000 2.210 343 E HA 0.635 6.239 4.350 2.090 0.000 0.266 343 E C -1.914 174.450 176.600 -0.393 0.000 0.883 343 E CA -0.753 55.467 56.400 -0.300 0.000 0.761 343 E CB 1.981 31.697 29.700 0.027 0.000 1.156 343 E HN 0.541 nan 8.360 nan 0.000 0.412 344 V N 5.932 125.518 119.914 -0.546 0.000 2.487 344 V HA 0.447 5.821 4.120 2.090 0.000 0.298 344 V C -0.175 175.768 176.094 -0.252 0.000 1.028 344 V CA -0.496 61.527 62.300 -0.461 0.000 0.860 344 V CB 1.340 32.661 31.823 -0.836 0.000 0.991 344 V HN 0.873 nan 8.190 nan 0.000 0.427 345 N N 2.169 120.836 118.700 -0.055 0.000 3.418 345 N HA 0.386 6.380 4.740 2.090 0.000 0.316 345 N C 0.092 175.729 175.510 0.213 0.000 1.601 345 N CA -0.732 52.332 53.050 0.024 0.000 0.805 345 N CB 1.770 40.257 38.487 -0.000 0.000 1.873 345 N HN 0.229 nan 8.380 nan 0.000 0.615 346 E N 0.172 120.480 120.200 0.180 0.000 2.204 346 E HA -0.015 5.588 4.350 2.090 0.000 0.194 346 E C -0.466 176.421 176.600 0.477 0.000 0.989 346 E CA 0.804 57.410 56.400 0.343 0.000 0.824 346 E CB -0.080 29.759 29.700 0.231 0.000 0.756 346 E HN 0.432 nan 8.360 nan 0.000 0.477 347 E N 0.043 120.404 120.200 0.268 0.000 2.415 347 E HA 0.325 5.928 4.350 2.090 0.000 0.263 347 E C 0.293 177.018 176.600 0.209 0.000 0.995 347 E CA 0.353 56.858 56.400 0.175 0.000 0.915 347 E CB 0.782 30.514 29.700 0.053 0.000 0.951 347 E HN 0.238 nan 8.360 nan 0.000 0.449 348 G N 1.521 110.434 108.800 0.189 0.000 2.348 348 G HA2 0.184 5.398 3.960 2.090 0.000 0.296 348 G HA3 0.184 5.398 3.960 2.090 0.000 0.296 348 G C -1.024 173.945 174.900 0.115 0.000 1.258 348 G CA -0.768 44.442 45.100 0.184 0.000 0.868 348 G HN 0.393 nan 8.290 nan 0.000 0.488 349 S N 0.563 116.321 115.700 0.097 0.000 2.632 349 S HA 0.469 6.193 4.470 2.090 0.000 0.271 349 S C -0.054 174.556 174.600 0.016 0.000 1.260 349 S CA -0.638 57.590 58.200 0.047 0.000 1.010 349 S CB 1.283 64.506 63.200 0.039 0.000 0.965 349 S HN 0.488 nan 8.310 nan 0.000 0.534 350 E N 1.454 121.655 120.200 0.003 0.000 2.502 350 E HA 0.091 5.695 4.350 2.090 0.000 0.261 350 E C 0.149 176.722 176.600 -0.045 0.000 0.974 350 E CA 0.029 56.417 56.400 -0.019 0.000 0.936 350 E CB 0.397 30.089 29.700 -0.013 0.000 0.926 350 E HN 0.658 nan 8.360 nan 0.000 0.459 351 A N 2.620 125.395 122.820 -0.075 0.000 2.440 351 A HA 0.416 5.990 4.320 2.090 0.000 0.251 351 A C 0.287 177.824 177.584 -0.078 0.000 1.089 351 A CA 0.069 52.043 52.037 -0.105 0.000 0.779 351 A CB 0.455 19.365 19.000 -0.150 0.000 1.022 351 A HN 0.629 nan 8.150 nan 0.000 0.492 352 A N 1.643 124.416 122.820 -0.079 0.000 2.477 352 A HA 0.537 6.111 4.320 2.090 0.000 0.246 352 A C 0.795 178.342 177.584 -0.062 0.000 1.078 352 A CA 0.450 52.451 52.037 -0.060 0.000 0.770 352 A CB -0.267 18.699 19.000 -0.057 0.000 1.011 352 A HN 2.000 nan 8.150 nan 0.000 0.494 360 I N 1.238 121.826 120.570 0.030 0.000 3.001 360 I HA -0.134 5.290 4.170 2.090 0.000 0.268 360 I C 2.249 178.412 176.117 0.078 0.000 1.267 360 I CA 1.790 63.125 61.300 0.058 0.000 1.472 360 I CB 0.131 38.174 38.000 0.071 0.000 1.089 360 I HN 0.505 nan 8.210 nan 0.000 0.468 361 S N 0.969 116.699 115.700 0.049 0.000 2.419 361 S HA -0.169 5.555 4.470 2.090 0.000 0.233 361 S C 1.977 176.547 174.600 -0.050 0.000 1.016 361 S CA 0.461 58.675 58.200 0.023 0.000 0.974 361 S CB -0.339 62.872 63.200 0.018 0.000 0.786 361 S HN 0.415 nan 8.310 nan 0.000 0.492 362 R N 0.988 121.467 120.500 -0.034 0.000 2.200 362 R HA 0.157 5.751 4.340 2.090 0.000 0.234 362 R C 1.640 177.884 176.300 -0.093 0.000 1.127 362 R CA 0.870 56.938 56.100 -0.053 0.000 0.989 362 R CB -0.896 29.388 30.300 -0.027 0.000 0.869 362 R HN 0.492 nan 8.270 nan 0.000 0.459 363 M N -0.356 119.183 119.600 -0.102 0.000 2.495 363 M HA 0.220 5.954 4.480 2.090 0.000 0.237 363 M C 1.735 177.763 176.300 -0.452 0.000 1.131 363 M CA 0.100 55.317 55.300 -0.138 0.000 1.032 363 M CB -0.488 32.126 32.600 0.023 0.000 1.513 363 M HN 0.020 nan 8.290 nan 0.000 0.488 364 A N 1.054 123.494 122.820 -0.632 0.000 1.986 364 A HA -0.119 5.455 4.320 2.090 0.000 0.220 364 A C 2.161 179.305 177.584 -0.735 0.000 1.171 364 A CA 2.075 53.419 52.037 -1.156 0.000 0.640 364 A CB -1.022 17.644 19.000 -0.556 0.000 0.811 364 A HN 0.424 nan 8.150 nan 0.000 0.451 365 V N -2.735 116.962 119.914 -0.361 0.000 3.078 365 V HA -0.049 5.325 4.120 2.090 0.000 0.265 365 V C 1.811 177.819 176.094 -0.143 0.000 1.122 365 V CA 1.743 63.928 62.300 -0.192 0.000 1.141 365 V CB -0.777 30.976 31.823 -0.117 0.000 0.735 365 V HN 0.457 nan 8.190 nan 0.000 0.498 366 L N -1.635 119.486 121.223 -0.170 0.000 2.585 366 L HA 0.283 5.877 4.340 2.090 0.000 0.226 366 L C 0.769 177.684 176.870 0.076 0.000 1.113 366 L CA -0.225 54.594 54.840 -0.036 0.000 0.876 366 L CB -0.253 41.804 42.059 -0.003 0.000 1.072 366 L HN 0.292 nan 8.230 nan 0.000 0.468 367 Y N 2.058 122.328 120.300 -0.050 0.000 2.632 367 Y HA 0.022 5.826 4.550 2.091 0.000 0.329 367 Y C -1.673 174.150 175.900 -0.129 0.000 1.174 367 Y CA -2.423 55.625 58.100 -0.087 0.000 1.469 367 Y CB -0.290 38.127 38.460 -0.071 0.000 1.242 367 Y HN -0.019 nan 8.280 nan 0.000 0.540 368 P HA 0.042 nan 4.420 nan 0.000 0.270 368 P C -1.244 175.921 177.300 -0.226 0.000 1.223 368 P CA -0.106 62.829 63.100 -0.275 0.000 0.785 368 P CB 0.563 31.749 31.700 -0.857 0.000 0.923 369 Q N 0.152 119.862 119.800 -0.150 0.000 2.321 369 Q HA 0.542 6.136 4.340 2.090 0.000 0.270 369 Q C -1.414 174.569 176.000 -0.028 0.000 1.032 369 Q CA -0.799 54.988 55.803 -0.027 0.000 0.784 369 Q CB 2.165 30.946 28.738 0.072 0.000 1.264 369 Q HN 0.104 nan 8.270 nan 0.000 0.448 370 V N 4.091 123.996 119.914 -0.016 0.000 2.376 370 V HA 0.457 5.831 4.120 2.090 0.000 0.287 370 V C -0.724 175.405 176.094 0.059 0.000 1.015 370 V CA -0.623 61.674 62.300 -0.004 0.000 0.834 370 V CB 1.543 33.319 31.823 -0.078 0.000 1.001 370 V HN 0.709 nan 8.190 nan 0.000 0.428 371 I N 5.829 126.407 120.570 0.012 0.000 2.390 371 I HA 0.448 5.872 4.170 2.090 0.000 0.283 371 I C -0.263 175.817 176.117 -0.061 0.000 1.016 371 I CA -0.391 60.886 61.300 -0.039 0.000 1.151 371 I CB 1.405 39.247 38.000 -0.263 0.000 1.293 371 I HN 0.372 nan 8.210 nan 0.000 0.458 372 V N 7.653 127.506 119.914 -0.102 0.000 2.149 372 V HA 0.140 5.514 4.120 2.090 0.000 0.245 372 V C 0.252 176.296 176.094 -0.082 0.000 1.349 372 V CA -0.059 62.117 62.300 -0.206 0.000 1.289 372 V CB -0.684 30.900 31.823 -0.399 0.000 1.401 372 V HN 0.845 nan 8.190 nan 0.000 0.501 373 D N 1.611 121.950 120.400 -0.103 0.000 2.593 373 D HA 0.163 6.057 4.640 2.090 0.000 0.241 373 D C 0.148 176.054 176.300 -0.656 0.000 1.257 373 D CA -0.240 53.670 54.000 -0.151 0.000 0.828 373 D CB 0.009 40.822 40.800 0.020 0.000 1.049 373 D HN 0.717 nan 8.370 nan 0.000 0.490 374 H N -4.363 114.183 119.070 -0.873 0.000 2.948 374 H HA 0.634 6.445 4.556 2.092 0.000 0.315 374 H C -3.189 172.010 175.328 -0.216 0.000 1.360 374 H CA -2.012 53.446 56.048 -0.985 0.000 1.125 374 H CB 0.067 29.580 29.762 -0.415 0.000 1.844 374 H HN -0.328 nan 8.280 nan 0.000 0.529 375 P HA 0.091 nan 4.420 nan 0.000 0.267 375 P C -1.163 176.237 177.300 0.167 0.000 1.200 375 P CA 0.311 63.535 63.100 0.207 0.000 0.772 375 P CB 0.156 31.926 31.700 0.116 0.000 0.855 376 F N 0.341 120.318 119.950 0.044 0.000 2.631 376 F HA 0.639 6.420 4.527 2.089 0.000 0.308 376 F C -1.380 174.527 175.800 0.179 0.000 1.097 376 F CA -1.670 56.359 58.000 0.048 0.000 0.952 376 F CB 0.729 39.715 39.000 -0.024 0.000 1.307 376 F HN 0.129 nan 8.300 nan 0.000 0.450 377 F N 3.967 124.007 119.950 0.150 0.000 2.379 377 F HA 0.775 6.562 4.527 2.099 0.000 0.332 377 F C -1.071 174.870 175.800 0.235 0.000 1.096 377 F CA -1.247 56.779 58.000 0.042 0.000 1.105 377 F CB 1.079 40.029 39.000 -0.084 0.000 1.189 377 F HN 0.565 nan 8.300 nan 0.000 0.515 378 F N 4.513 123.989 119.950 -0.791 0.000 2.645 378 F HA 0.781 6.553 4.527 2.075 0.000 0.310 378 F C -2.231 173.139 175.800 -0.716 0.000 1.102 378 F CA -1.583 56.153 58.000 -0.439 0.000 0.952 378 F CB 1.119 40.129 39.000 0.015 0.000 1.326 378 F HN 0.521 nan 8.300 nan 0.000 0.456 379 L N 0.560 121.700 121.223 -0.138 0.000 2.424 379 L HA 0.796 6.390 4.340 2.090 0.000 0.258 379 L C -1.550 175.402 176.870 0.137 0.000 0.995 379 L CA -1.193 53.577 54.840 -0.117 0.000 0.821 379 L CB 2.032 44.025 42.059 -0.111 0.000 1.383 379 L HN 0.738 nan 8.230 nan 0.000 0.410 380 I N 1.929 122.573 120.570 0.123 0.000 2.377 380 I HA 0.717 6.141 4.170 2.090 0.000 0.293 380 I C -0.273 175.862 176.117 0.029 0.000 0.987 380 I CA -0.534 60.829 61.300 0.105 0.000 1.185 380 I CB 1.552 39.562 38.000 0.017 0.000 1.341 380 I HN 0.865 nan 8.210 nan 0.000 0.455 381 R N 4.088 124.616 120.500 0.048 0.000 2.740 381 R HA 0.435 6.029 4.340 2.090 0.000 0.273 381 R C -1.386 174.937 176.300 0.038 0.000 0.998 381 R CA -0.905 55.209 56.100 0.024 0.000 0.900 381 R CB 1.476 31.802 30.300 0.043 0.000 1.223 381 R HN 0.458 nan 8.270 nan 0.000 0.466 382 N N 1.654 120.368 118.700 0.023 0.000 2.414 382 N HA 0.144 6.138 4.740 2.090 0.000 0.256 382 N C 0.095 175.631 175.510 0.043 0.000 1.029 382 N CA -0.161 52.916 53.050 0.045 0.000 0.948 382 N CB 1.216 39.730 38.487 0.046 0.000 1.102 382 N HN 0.665 nan 8.380 nan 0.000 0.496 383 R N 2.282 122.812 120.500 0.049 0.000 2.148 383 R HA -0.032 5.562 4.340 2.090 0.000 0.227 383 R C 1.857 178.170 176.300 0.022 0.000 1.103 383 R CA 0.937 57.049 56.100 0.020 0.000 0.983 383 R CB 0.207 30.507 30.300 0.001 0.000 0.874 383 R HN 0.565 nan 8.270 nan 0.000 0.451 384 R N 0.355 120.880 120.500 0.041 0.000 2.112 384 R HA -0.051 5.543 4.340 2.090 0.000 0.216 384 R C 1.844 178.166 176.300 0.036 0.000 1.080 384 R CA 1.772 57.897 56.100 0.041 0.000 0.996 384 R CB 0.113 30.447 30.300 0.056 0.000 0.902 384 R HN 0.221 nan 8.270 nan 0.000 0.449 385 T N -4.199 110.379 114.554 0.040 0.000 3.015 385 T HA 0.232 5.836 4.350 2.090 0.000 0.250 385 T C 1.349 176.063 174.700 0.024 0.000 1.057 385 T CA 0.636 62.758 62.100 0.035 0.000 1.066 385 T CB 0.742 69.637 68.868 0.046 0.000 0.959 385 T HN 0.400 nan 8.240 nan 0.000 0.488 386 G N 1.778 110.591 108.800 0.020 0.000 2.179 386 G HA2 -0.263 4.951 3.960 2.090 0.000 0.260 386 G HA3 -0.263 4.951 3.960 2.090 0.000 0.260 386 G C 0.277 175.178 174.900 0.002 0.000 0.977 386 G CA 0.336 45.442 45.100 0.011 0.000 0.641 386 G HN 1.053 nan 8.290 nan 0.000 0.533 387 T N 0.708 115.262 114.554 0.001 0.000 2.919 387 T HA 0.596 6.200 4.350 2.090 0.000 0.302 387 T C 0.493 175.164 174.700 -0.048 0.000 1.031 387 T CA -0.461 61.625 62.100 -0.023 0.000 1.127 387 T CB 1.978 70.837 68.868 -0.015 0.000 0.952 387 T HN 0.243 nan 8.240 nan 0.000 0.540 388 I N 3.788 124.309 120.570 -0.082 0.000 2.301 388 I HA 0.143 5.567 4.170 2.090 0.000 0.292 388 I C 0.893 176.889 176.117 -0.201 0.000 1.046 388 I CA -0.783 60.451 61.300 -0.109 0.000 1.282 388 I CB 0.531 38.470 38.000 -0.101 0.000 1.409 388 I HN 0.636 nan 8.210 nan 0.000 0.484 389 L N 6.963 128.058 121.223 -0.213 0.000 2.131 389 L HA 0.128 5.722 4.340 2.090 0.000 0.206 389 L C 0.093 176.529 176.870 -0.725 0.000 1.087 389 L CA 1.553 56.151 54.840 -0.404 0.000 0.767 389 L CB -0.226 41.667 42.059 -0.276 0.000 0.917 389 L HN 0.382 nan 8.230 nan 0.000 0.441 390 F N -2.186 117.622 119.950 -0.236 0.000 2.654 390 F HA 0.566 6.350 4.527 2.095 0.000 0.308 390 F C -0.318 175.228 175.800 -0.424 0.000 1.108 390 F CA -0.784 57.048 58.000 -0.280 0.000 0.957 390 F CB 1.764 40.667 39.000 -0.161 0.000 1.309 390 F HN -0.341 nan 8.300 nan 0.000 0.446 391 M N 1.286 120.565 119.600 -0.535 0.000 2.484 391 M HA 0.840 6.574 4.480 2.090 0.000 0.289 391 M C -0.882 174.822 176.300 -0.993 0.000 1.206 391 M CA -0.046 54.752 55.300 -0.837 0.000 0.892 391 M CB 2.587 34.745 32.600 -0.736 0.000 1.712 391 M HN 0.821 nan 8.290 nan 0.000 0.462 392 G N 2.468 110.427 108.800 -1.401 0.000 2.341 392 G HA2 0.601 5.815 3.960 2.090 0.000 0.299 392 G HA3 0.601 5.815 3.960 2.090 0.000 0.299 392 G C -2.321 172.039 174.900 -0.900 0.000 1.274 392 G CA -0.952 43.608 45.100 -0.900 0.000 0.853 392 G HN 0.955 nan 8.290 nan 0.000 0.493 393 R N -1.593 118.801 120.500 -0.177 0.000 2.707 393 R HA 0.743 6.337 4.340 2.090 0.000 0.272 393 R C -1.899 174.391 176.300 -0.017 0.000 1.011 393 R CA -0.857 55.230 56.100 -0.023 0.000 0.893 393 R CB 1.938 32.332 30.300 0.157 0.000 1.233 393 R HN 0.498 nan 8.270 nan 0.000 0.464 394 V N 3.623 123.271 119.914 -0.443 0.000 2.334 394 V HA 0.232 5.606 4.120 2.090 0.000 0.281 394 V C 0.612 176.461 176.094 -0.409 0.000 1.016 394 V CA -0.687 61.258 62.300 -0.591 0.000 0.832 394 V CB 1.442 32.538 31.823 -1.213 0.000 0.999 394 V HN 0.842 nan 8.190 nan 0.000 0.439 395 M N 2.554 121.993 119.600 -0.268 0.000 2.615 395 M HA 0.264 5.998 4.480 2.090 0.000 0.262 395 M C 0.297 176.260 176.300 -0.561 0.000 1.198 395 M CA 0.999 56.098 55.300 -0.334 0.000 1.165 395 M CB 0.004 32.374 32.600 -0.383 0.000 1.310 395 M HN 0.615 nan 8.290 nan 0.000 0.494 396 H N 0.955 119.932 119.070 -0.155 0.000 2.970 396 H HA 0.290 6.097 4.556 2.086 0.000 0.315 396 H C -1.999 173.135 175.328 -0.323 0.000 0.992 396 H CA -1.332 54.585 56.048 -0.218 0.000 1.363 396 H CB 1.608 31.311 29.762 -0.097 0.000 1.532 396 H HN 0.010 nan 8.280 nan 0.000 0.514 397 P HA -0.055 nan 4.420 nan 0.000 0.245 397 P C 0.494 177.711 177.300 -0.139 0.000 1.203 397 P CA 0.336 63.206 63.100 -0.383 0.000 0.792 397 P CB 0.694 32.004 31.700 -0.650 0.000 0.997 398 E N 1.039 121.171 120.200 -0.114 0.000 2.373 398 E HA 0.073 5.677 4.350 2.090 0.000 0.267 398 E C -0.494 176.111 176.600 0.008 0.000 1.032 398 E CA 0.010 56.392 56.400 -0.029 0.000 0.889 398 E CB 0.017 29.711 29.700 -0.009 0.000 0.984 398 E HN -0.109 nan 8.360 nan 0.000 0.425 399 T N 3.681 118.252 114.554 0.028 0.000 2.785 399 T HA -0.042 5.562 4.350 2.090 0.000 0.341 399 T C 1.131 175.848 174.700 0.029 0.000 1.093 399 T CA 0.140 62.263 62.100 0.039 0.000 1.103 399 T CB 0.026 68.921 68.868 0.045 0.000 1.011 399 T HN 0.624 nan 8.240 nan 0.000 0.549 400 M N 0.000 119.622 119.600 0.036 0.000 2.572 400 M HA 0.000 5.734 4.480 2.090 0.000 0.227 400 M CA 0.000 55.315 55.300 0.025 0.000 0.988 400 M CB 0.000 32.615 32.600 0.025 0.000 1.302 400 M HN 0.000 nan 8.290 nan 0.000 0.411