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 1mt5_1_K DATA FIRST_RESID 37 DATA SEQUENCE ARGAATRARQ KQRASLETMD KAVQRFRLQN PDLDSEALLT LPLLQLVQKL DATA SEQUENCE QSGELSPEAV FFTYLGKAWE VNKGTNCVTS YLTDCETQLS QAPRQGLLYG DATA SEQUENCE VPVSLKECFS YKGHDSTLGL SLNEGMPSES DCVVVQVLKL QGAVPFVHTN DATA SEQUENCE VPQSMLSFDC SNPLFGQTMN PWKSSKSPGG SSGGEGALIG SGGSPLGLGT DATA SEQUENCE DIGGSIRFPS AFCGICGLKP TGNRLSKSGL KGCVYGQTAV QLSLGPMARD DATA SEQUENCE VESLALCLKA LLCEHLFTLD PTVPPLPFRE EVYRSSRPLR VGYYETDNYT DATA SEQUENCE MPSPAMRRAL IETKQRLEAA GHTLIPFLPN NIPYALEVLS AGGLFSDGGR DATA SEQUENCE SFLQNFKGDF VDPCLGDLIL ILRLPSWFKR LLSLLLKPLF PRLAAFLNSM DATA SEQUENCE RPRSAEKLWK LQHEIEMYRQ SVIAQWKAMN LDVLLTPMLG PALDLNTPGR DATA SEQUENCE ATGAISYTVL YNCLDFPAGV VPVTTVTAED DAQMELYKGY FGDIWDIILK DATA SEQUENCE KAMKNSVGLP VAVQCVALPW QEELCLRFMR EVEQLMT 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.600 177.584 0.026 0.000 1.274 37 A CA 0.000 52.043 52.037 0.009 0.000 0.836 37 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 38 R N 0.722 121.259 120.500 0.062 0.000 2.472 38 R HA 0.543 4.880 4.340 -0.005 0.000 0.279 38 R C 1.654 178.037 176.300 0.138 0.000 0.953 38 R CA 1.247 57.408 56.100 0.103 0.000 1.088 38 R CB -1.032 29.358 30.300 0.150 0.000 1.197 38 R HN 1.148 nan 8.270 nan 0.000 0.536 39 G N -0.185 108.684 108.800 0.116 0.000 2.708 39 G HA2 0.188 4.145 3.960 -0.005 0.000 0.210 39 G HA3 0.188 4.145 3.960 -0.005 0.000 0.210 39 G C 1.216 176.121 174.900 0.010 0.000 1.141 39 G CA 0.648 45.782 45.100 0.057 0.000 0.788 39 G HN 0.765 nan 8.290 nan 0.000 0.531 40 A N 0.422 123.246 122.820 0.007 0.000 2.728 40 A HA 0.664 4.981 4.320 -0.005 0.000 0.258 40 A C 1.946 179.499 177.584 -0.051 0.000 1.454 40 A CA 0.797 52.822 52.037 -0.019 0.000 1.146 40 A CB -0.381 18.612 19.000 -0.011 0.000 0.985 40 A HN 0.435 nan 8.150 nan 0.000 0.603 41 A N -0.346 122.433 122.820 -0.068 0.000 1.984 41 A HA 0.053 4.370 4.320 -0.005 0.000 0.214 41 A C 2.231 179.724 177.584 -0.152 0.000 1.173 41 A CA 1.604 53.556 52.037 -0.142 0.000 0.673 41 A CB -0.717 18.196 19.000 -0.145 0.000 0.830 41 A HN 0.661 nan 8.150 nan 0.000 0.453 42 T N -2.235 112.264 114.554 -0.093 0.000 2.962 42 T HA -0.090 4.257 4.350 -0.005 0.000 0.270 42 T C 1.845 176.516 174.700 -0.048 0.000 1.088 42 T CA 1.040 63.100 62.100 -0.066 0.000 1.127 42 T CB -0.322 68.522 68.868 -0.040 0.000 0.883 42 T HN 0.389 nan 8.240 nan 0.000 0.493 43 R N 0.861 121.333 120.500 -0.047 0.000 2.241 43 R HA 0.141 4.478 4.340 -0.005 0.000 0.224 43 R C 2.252 178.529 176.300 -0.038 0.000 1.101 43 R CA 1.059 57.141 56.100 -0.030 0.000 0.995 43 R CB -0.331 29.955 30.300 -0.023 0.000 0.870 43 R HN 0.556 nan 8.270 nan 0.000 0.463 44 A N -0.628 122.127 122.820 -0.108 0.000 2.197 44 A HA 0.082 4.399 4.320 -0.005 0.000 0.210 44 A C 1.885 179.406 177.584 -0.105 0.000 1.180 44 A CA -0.035 51.905 52.037 -0.162 0.000 0.846 44 A CB 0.116 18.842 19.000 -0.457 0.000 0.884 44 A HN 0.131 nan 8.150 nan 0.000 0.487 45 R N 0.245 120.691 120.500 -0.091 0.000 2.090 45 R HA -0.147 4.190 4.340 -0.005 0.000 0.228 45 R C 2.393 178.732 176.300 0.065 0.000 1.110 45 R CA 1.759 57.863 56.100 0.007 0.000 0.973 45 R CB -0.156 30.130 30.300 -0.023 0.000 0.869 45 R HN 0.806 nan 8.270 nan 0.000 0.440 46 Q N 0.161 119.988 119.800 0.045 0.000 2.079 46 Q HA -0.117 4.220 4.340 -0.005 0.000 0.200 46 Q C 1.576 177.630 176.000 0.091 0.000 0.974 46 Q CA 1.293 57.132 55.803 0.059 0.000 0.840 46 Q CB -0.162 28.599 28.738 0.039 0.000 0.898 46 Q HN 0.082 nan 8.270 nan 0.000 0.430 47 K N 0.503 120.969 120.400 0.109 0.000 2.032 47 K HA -0.212 4.105 4.320 -0.005 0.000 0.209 47 K C 2.357 179.068 176.600 0.186 0.000 1.048 47 K CA 1.667 58.042 56.287 0.146 0.000 0.927 47 K CB -0.174 32.426 32.500 0.168 0.000 0.712 47 K HN 0.371 nan 8.250 nan 0.000 0.441 48 Q N 0.550 120.496 119.800 0.243 0.000 2.061 48 Q HA -0.243 4.094 4.340 -0.005 0.000 0.204 48 Q C 2.414 178.509 176.000 0.159 0.000 0.984 48 Q CA 2.223 58.166 55.803 0.232 0.000 0.846 48 Q CB -0.021 28.930 28.738 0.354 0.000 0.902 48 Q HN 0.298 nan 8.270 nan 0.000 0.421 49 R N 0.208 120.791 120.500 0.138 0.000 2.081 49 R HA -0.019 4.318 4.340 -0.005 0.000 0.235 49 R C 2.198 178.573 176.300 0.125 0.000 1.131 49 R CA 1.730 57.899 56.100 0.116 0.000 0.960 49 R CB -1.569 28.785 30.300 0.090 0.000 0.856 49 R HN 0.516 nan 8.270 nan 0.000 0.436 50 A N -0.187 122.705 122.820 0.119 0.000 1.930 50 A HA -0.034 4.283 4.320 -0.005 0.000 0.217 50 A C 2.563 180.230 177.584 0.139 0.000 1.175 50 A CA 1.721 53.827 52.037 0.115 0.000 0.627 50 A CB -0.495 18.566 19.000 0.101 0.000 0.815 50 A HN 0.489 nan 8.150 nan 0.000 0.443 51 S N -0.933 114.864 115.700 0.161 0.000 2.423 51 S HA -0.033 4.434 4.470 -0.005 0.000 0.231 51 S C 1.587 176.292 174.600 0.175 0.000 1.014 51 S CA 0.991 59.309 58.200 0.196 0.000 0.965 51 S CB -0.247 63.072 63.200 0.199 0.000 0.785 51 S HN 0.400 nan 8.310 nan 0.000 0.495 52 L N 1.280 122.613 121.223 0.183 0.000 2.418 52 L HA 0.157 4.494 4.340 -0.005 0.000 0.218 52 L C 2.497 179.555 176.870 0.313 0.000 1.125 52 L CA 1.456 56.470 54.840 0.289 0.000 0.835 52 L CB -0.665 41.548 42.059 0.256 0.000 0.953 52 L HN 0.385 nan 8.230 nan 0.000 0.454 53 E N -1.227 119.072 120.200 0.165 0.000 2.060 53 E HA -0.108 4.239 4.350 -0.005 0.000 0.189 53 E C 2.058 178.653 176.600 -0.008 0.000 0.974 53 E CA 1.362 57.806 56.400 0.074 0.000 0.808 53 E CB -1.175 28.572 29.700 0.078 0.000 0.768 53 E HN 0.480 nan 8.360 nan 0.000 0.453 54 T N 0.486 115.067 114.554 0.044 0.000 2.929 54 T HA -0.045 4.302 4.350 -0.005 0.000 0.271 54 T C 2.140 176.808 174.700 -0.054 0.000 1.085 54 T CA 1.367 63.502 62.100 0.058 0.000 1.125 54 T CB -0.225 68.751 68.868 0.180 0.000 0.874 54 T HN 0.317 nan 8.240 nan 0.000 0.494 55 M N 0.977 120.465 119.600 -0.187 0.000 2.099 55 M HA -0.073 4.404 4.480 -0.005 0.000 0.262 55 M C 2.263 178.301 176.300 -0.436 0.000 1.067 55 M CA 1.594 56.637 55.300 -0.428 0.000 1.124 55 M CB -0.192 32.229 32.600 -0.298 0.000 1.353 55 M HN 0.092 nan 8.290 nan 0.000 0.410 56 D N 0.398 120.460 120.400 -0.562 0.000 2.123 56 D HA -0.105 4.532 4.640 -0.005 0.000 0.200 56 D C 2.090 178.125 176.300 -0.441 0.000 0.976 56 D CA 2.088 55.574 54.000 -0.857 0.000 0.831 56 D CB 0.134 40.245 40.800 -1.149 0.000 0.974 56 D HN 0.183 nan 8.370 nan 0.000 0.469 57 K N 0.449 120.699 120.400 -0.250 0.000 2.097 57 K HA 0.112 4.429 4.320 -0.005 0.000 0.206 57 K C 2.232 178.783 176.600 -0.082 0.000 1.049 57 K CA 1.598 57.806 56.287 -0.133 0.000 0.933 57 K CB -1.131 31.331 32.500 -0.063 0.000 0.717 57 K HN 0.296 nan 8.250 nan 0.000 0.442 58 A N 1.002 123.794 122.820 -0.047 0.000 1.929 58 A HA 0.072 4.389 4.320 -0.005 0.000 0.216 58 A C 2.600 180.228 177.584 0.072 0.000 1.176 58 A CA 1.960 54.046 52.037 0.081 0.000 0.628 58 A CB -0.600 18.549 19.000 0.249 0.000 0.816 58 A HN 0.915 nan 8.150 nan 0.000 0.444 59 V N -2.639 117.280 119.914 0.009 0.000 2.548 59 V HA -0.198 3.919 4.120 -0.005 0.000 0.249 59 V C 1.975 178.068 176.094 -0.002 0.000 1.055 59 V CA 1.974 64.296 62.300 0.036 0.000 1.065 59 V CB -0.986 30.808 31.823 -0.048 0.000 0.681 59 V HN 0.566 nan 8.190 nan 0.000 0.462 60 Q N 0.680 120.428 119.800 -0.087 0.000 2.187 60 Q HA -0.051 4.286 4.340 -0.005 0.000 0.199 60 Q C 2.643 178.603 176.000 -0.067 0.000 0.957 60 Q CA 1.871 57.623 55.803 -0.084 0.000 0.857 60 Q CB -0.246 28.417 28.738 -0.126 0.000 0.929 60 Q HN 0.810 nan 8.270 nan 0.000 0.453 61 R N 0.158 120.618 120.500 -0.067 0.000 2.285 61 R HA -0.107 4.230 4.340 -0.005 0.000 0.213 61 R C 1.433 177.676 176.300 -0.095 0.000 1.068 61 R CA 1.151 57.206 56.100 -0.075 0.000 1.004 61 R CB -1.065 29.197 30.300 -0.062 0.000 0.873 61 R HN 0.337 nan 8.270 nan 0.000 0.467 62 F N 0.358 120.142 119.950 -0.275 0.000 2.383 62 F HA 0.157 4.681 4.527 -0.005 0.000 0.287 62 F C 2.858 178.554 175.800 -0.173 0.000 1.069 62 F CA 1.297 59.111 58.000 -0.310 0.000 1.402 62 F CB 0.089 38.794 39.000 -0.493 0.000 1.116 62 F HN 0.275 nan 8.300 nan 0.000 0.549 63 R N 1.015 121.499 120.500 -0.025 0.000 2.189 63 R HA 0.093 4.430 4.340 -0.005 0.000 0.223 63 R C 2.098 178.314 176.300 -0.140 0.000 1.092 63 R CA 1.485 57.538 56.100 -0.079 0.000 0.989 63 R CB -2.193 28.109 30.300 0.004 0.000 0.876 63 R HN 0.433 nan 8.270 nan 0.000 0.457 64 L N -0.645 120.497 121.223 -0.136 0.000 2.023 64 L HA 0.069 4.406 4.340 -0.005 0.000 0.205 64 L C 2.915 179.676 176.870 -0.182 0.000 1.073 64 L CA 2.726 57.487 54.840 -0.132 0.000 0.745 64 L CB -1.878 40.121 42.059 -0.100 0.000 0.900 64 L HN 0.655 nan 8.230 nan 0.000 0.435 65 Q N -0.363 119.291 119.800 -0.243 0.000 2.172 65 Q HA -0.113 4.224 4.340 -0.005 0.000 0.200 65 Q C 1.304 177.094 176.000 -0.351 0.000 0.964 65 Q CA 1.525 57.168 55.803 -0.266 0.000 0.855 65 Q CB -0.772 27.811 28.738 -0.258 0.000 0.918 65 Q HN 0.878 nan 8.270 nan 0.000 0.444 66 N N 0.302 118.670 118.700 -0.552 0.000 3.012 66 N HA 0.257 4.994 4.740 -0.005 0.000 0.270 66 N C -2.340 172.966 175.510 -0.339 0.000 1.469 66 N CA -1.279 51.456 53.050 -0.526 0.000 0.928 66 N CB 1.832 39.765 38.487 -0.923 0.000 1.219 66 N HN 0.315 nan 8.380 nan 0.000 0.492 67 P HA 0.124 nan 4.420 nan 0.000 0.255 67 P C 0.450 177.695 177.300 -0.091 0.000 1.248 67 P CA 0.617 63.637 63.100 -0.134 0.000 0.807 67 P CB 0.299 31.933 31.700 -0.109 0.000 1.150 68 D N -0.044 120.302 120.400 -0.090 0.000 2.338 68 D HA 0.264 4.901 4.640 -0.005 0.000 0.208 68 D C 1.247 177.524 176.300 -0.038 0.000 0.997 68 D CA 0.451 54.417 54.000 -0.056 0.000 0.880 68 D CB -0.514 40.256 40.800 -0.051 0.000 0.980 68 D HN 0.243 nan 8.370 nan 0.000 0.509 69 L N 1.192 122.392 121.223 -0.038 0.000 2.367 69 L HA 0.516 4.853 4.340 -0.005 0.000 0.275 69 L C 0.390 177.265 176.870 0.007 0.000 1.129 69 L CA -0.479 54.358 54.840 -0.004 0.000 0.839 69 L CB 0.489 42.561 42.059 0.022 0.000 1.133 69 L HN 0.268 nan 8.230 nan 0.000 0.453 70 D N 2.298 122.701 120.400 0.005 0.000 2.382 70 D HA 0.161 4.798 4.640 -0.005 0.000 0.259 70 D C 1.280 177.576 176.300 -0.007 0.000 1.224 70 D CA 0.721 54.719 54.000 -0.003 0.000 0.894 70 D CB 1.309 42.105 40.800 -0.006 0.000 1.127 70 D HN 0.691 nan 8.370 nan 0.000 0.487 71 S N 3.514 119.205 115.700 -0.015 0.000 2.349 71 S HA -0.197 4.270 4.470 -0.005 0.000 0.216 71 S C 2.115 176.670 174.600 -0.074 0.000 1.033 71 S CA 1.608 59.782 58.200 -0.043 0.000 1.021 71 S CB -0.448 62.730 63.200 -0.036 0.000 0.968 71 S HN 0.752 nan 8.310 nan 0.000 0.426 72 E N 0.848 121.014 120.200 -0.057 0.000 2.333 72 E HA 0.147 4.494 4.350 -0.005 0.000 0.198 72 E C 1.866 178.436 176.600 -0.050 0.000 1.007 72 E CA 1.235 57.599 56.400 -0.060 0.000 0.845 72 E CB -0.885 28.790 29.700 -0.042 0.000 0.766 72 E HN 0.610 nan 8.360 nan 0.000 0.507 73 A N 0.112 122.910 122.820 -0.038 0.000 1.943 73 A HA 0.324 4.641 4.320 -0.005 0.000 0.213 73 A C 2.324 179.894 177.584 -0.023 0.000 1.181 73 A CA 1.245 53.269 52.037 -0.023 0.000 0.653 73 A CB -0.116 18.877 19.000 -0.010 0.000 0.833 73 A HN 0.763 nan 8.150 nan 0.000 0.451 74 L N -0.452 120.747 121.223 -0.039 0.000 2.072 74 L HA 0.052 4.389 4.340 -0.005 0.000 0.205 74 L C 1.921 178.744 176.870 -0.080 0.000 1.079 74 L CA 1.711 56.528 54.840 -0.038 0.000 0.752 74 L CB -0.979 41.064 42.059 -0.027 0.000 0.906 74 L HN 0.259 nan 8.230 nan 0.000 0.436 75 L N 0.316 121.423 121.223 -0.193 0.000 2.191 75 L HA -0.100 4.237 4.340 -0.005 0.000 0.212 75 L C 2.123 178.962 176.870 -0.052 0.000 1.103 75 L CA 1.499 56.154 54.840 -0.309 0.000 0.769 75 L CB -1.208 40.609 42.059 -0.403 0.000 0.908 75 L HN 0.563 nan 8.230 nan 0.000 0.438 76 T N -2.635 111.904 114.554 -0.027 0.000 3.219 76 T HA 0.142 4.489 4.350 -0.005 0.000 0.249 76 T C 0.602 175.326 174.700 0.039 0.000 1.099 76 T CA -0.383 61.727 62.100 0.016 0.000 0.988 76 T CB -0.215 68.652 68.868 -0.001 0.000 0.999 76 T HN -0.145 nan 8.240 nan 0.000 0.550 77 L N 3.187 124.443 121.223 0.055 0.000 2.455 77 L HA 0.358 4.695 4.340 -0.005 0.000 0.272 77 L C -2.039 174.879 176.870 0.080 0.000 1.174 77 L CA -2.427 52.454 54.840 0.067 0.000 0.869 77 L CB 0.124 42.231 42.059 0.079 0.000 1.130 77 L HN 0.093 nan 8.230 nan 0.000 0.474 78 P HA -0.020 nan 4.420 nan 0.000 0.266 78 P C 0.814 178.144 177.300 0.050 0.000 1.195 78 P CA -0.370 62.762 63.100 0.054 0.000 0.768 78 P CB 0.578 32.306 31.700 0.046 0.000 0.838 79 L N 3.814 125.058 121.223 0.035 0.000 2.043 79 L HA -0.198 4.139 4.340 -0.005 0.000 0.212 79 L C 1.724 178.605 176.870 0.020 0.000 1.075 79 L CA 2.045 56.894 54.840 0.015 0.000 0.752 79 L CB -0.967 41.083 42.059 -0.015 0.000 0.891 79 L HN 0.274 nan 8.230 nan 0.000 0.432 80 L N -1.023 120.217 121.223 0.027 0.000 2.017 80 L HA -0.214 4.124 4.340 -0.005 0.000 0.208 80 L C 2.544 179.437 176.870 0.038 0.000 1.073 80 L CA 1.711 56.570 54.840 0.032 0.000 0.745 80 L CB -1.994 40.090 42.059 0.042 0.000 0.894 80 L HN 0.450 nan 8.230 nan 0.000 0.432 81 Q N -0.419 119.406 119.800 0.041 0.000 2.124 81 Q HA -0.203 4.134 4.340 -0.005 0.000 0.202 81 Q C 2.397 178.426 176.000 0.048 0.000 0.977 81 Q CA 1.188 57.017 55.803 0.043 0.000 0.850 81 Q CB -0.083 28.680 28.738 0.042 0.000 0.901 81 Q HN 0.362 nan 8.270 nan 0.000 0.429 82 L N 0.009 121.263 121.223 0.051 0.000 2.056 82 L HA -0.137 4.200 4.340 -0.005 0.000 0.207 82 L C 2.270 179.171 176.870 0.051 0.000 1.078 82 L CA 1.139 56.014 54.840 0.058 0.000 0.749 82 L CB -0.286 41.817 42.059 0.074 0.000 0.901 82 L HN 0.185 nan 8.230 nan 0.000 0.433 83 V N -1.170 118.768 119.914 0.041 0.000 2.515 83 V HA -0.242 3.875 4.120 -0.005 0.000 0.250 83 V C 2.225 178.359 176.094 0.068 0.000 1.058 83 V CA 1.767 64.097 62.300 0.050 0.000 1.064 83 V CB -1.018 30.826 31.823 0.034 0.000 0.675 83 V HN 0.803 nan 8.190 nan 0.000 0.461 84 Q N 0.089 119.922 119.800 0.055 0.000 2.302 84 Q HA 0.046 4.384 4.340 -0.005 0.000 0.202 84 Q C 2.180 178.213 176.000 0.055 0.000 0.936 84 Q CA 1.196 57.030 55.803 0.052 0.000 0.886 84 Q CB -0.489 28.274 28.738 0.042 0.000 0.986 84 Q HN 0.536 nan 8.270 nan 0.000 0.487 85 K N -0.078 120.357 120.400 0.057 0.000 2.148 85 K HA -0.034 4.283 4.320 -0.005 0.000 0.204 85 K C 1.631 178.278 176.600 0.079 0.000 1.050 85 K CA 0.755 57.078 56.287 0.060 0.000 0.942 85 K CB 0.022 32.556 32.500 0.056 0.000 0.724 85 K HN 0.232 nan 8.250 nan 0.000 0.446 86 L N 1.039 122.320 121.223 0.096 0.000 2.156 86 L HA -0.124 4.213 4.340 -0.005 0.000 0.208 86 L C 2.333 179.321 176.870 0.196 0.000 1.095 86 L CA 1.603 56.531 54.840 0.146 0.000 0.770 86 L CB -0.844 41.297 42.059 0.136 0.000 0.914 86 L HN 0.163 nan 8.230 nan 0.000 0.439 87 Q N -0.023 119.857 119.800 0.132 0.000 2.083 87 Q HA -0.118 4.219 4.340 -0.005 0.000 0.198 87 Q C 2.354 178.372 176.000 0.030 0.000 0.969 87 Q CA 1.875 57.721 55.803 0.071 0.000 0.838 87 Q CB -0.177 28.586 28.738 0.042 0.000 0.900 87 Q HN 0.542 nan 8.270 nan 0.000 0.436 88 S N -1.701 114.024 115.700 0.041 0.000 2.561 88 S HA 0.182 4.649 4.470 -0.005 0.000 0.225 88 S C 1.356 175.979 174.600 0.037 0.000 0.977 88 S CA 0.646 58.863 58.200 0.029 0.000 0.926 88 S CB -0.137 63.080 63.200 0.028 0.000 0.769 88 S HN 0.627 nan 8.310 nan 0.000 0.533 89 G N 0.899 109.736 108.800 0.063 0.000 2.143 89 G HA2 -0.286 3.671 3.960 -0.005 0.000 0.249 89 G HA3 -0.286 3.671 3.960 -0.005 0.000 0.249 89 G C 0.493 175.433 174.900 0.067 0.000 0.981 89 G CA 0.427 45.572 45.100 0.074 0.000 0.665 89 G HN 0.535 nan 8.290 nan 0.000 0.528 90 E N -0.820 119.417 120.200 0.061 0.000 2.106 90 E HA 0.059 4.407 4.350 -0.005 0.000 0.192 90 E C 1.112 177.750 176.600 0.062 0.000 0.984 90 E CA 0.688 57.120 56.400 0.053 0.000 0.806 90 E CB -0.008 29.720 29.700 0.047 0.000 0.750 90 E HN 0.644 nan 8.360 nan 0.000 0.458 91 L N 0.423 121.691 121.223 0.075 0.000 2.334 91 L HA 0.270 4.607 4.340 -0.005 0.000 0.273 91 L C -0.000 176.928 176.870 0.098 0.000 1.013 91 L CA -0.940 53.950 54.840 0.084 0.000 0.816 91 L CB 1.965 44.072 42.059 0.080 0.000 1.278 91 L HN -0.114 nan 8.230 nan 0.000 0.431 92 S N 0.540 116.304 115.700 0.107 0.000 2.586 92 S HA 0.313 4.780 4.470 -0.005 0.000 0.274 92 S C -2.010 172.639 174.600 0.082 0.000 1.281 92 S CA -1.252 57.015 58.200 0.112 0.000 1.035 92 S CB 1.134 64.413 63.200 0.132 0.000 0.962 92 S HN 0.408 nan 8.310 nan 0.000 0.512 93 P HA -0.167 nan 4.420 nan 0.000 0.216 93 P C 0.932 178.231 177.300 -0.001 0.000 1.154 93 P CA 1.356 64.407 63.100 -0.082 0.000 0.865 93 P CB 0.039 31.656 31.700 -0.139 0.000 0.789 94 E N -0.917 119.348 120.200 0.108 0.000 2.208 94 E HA -0.047 4.300 4.350 -0.005 0.000 0.193 94 E C 2.084 178.801 176.600 0.195 0.000 0.988 94 E CA 1.160 57.708 56.400 0.247 0.000 0.828 94 E CB -0.896 29.003 29.700 0.330 0.000 0.763 94 E HN 0.177 nan 8.360 nan 0.000 0.478 95 A N 0.589 123.528 122.820 0.199 0.000 1.898 95 A HA -0.123 4.194 4.320 -0.005 0.000 0.216 95 A C 2.408 180.035 177.584 0.072 0.000 1.181 95 A CA 1.585 53.768 52.037 0.243 0.000 0.620 95 A CB -0.693 18.466 19.000 0.265 0.000 0.819 95 A HN 0.238 nan 8.150 nan 0.000 0.442 96 V N -3.691 116.262 119.914 0.065 0.000 2.788 96 V HA -0.032 4.085 4.120 -0.005 0.000 0.251 96 V C 2.215 178.325 176.094 0.027 0.000 1.068 96 V CA 1.554 63.892 62.300 0.062 0.000 1.090 96 V CB -1.115 30.762 31.823 0.089 0.000 0.710 96 V HN 0.432 nan 8.190 nan 0.000 0.467 97 F N 1.067 120.886 119.950 -0.219 0.000 2.113 97 F HA 0.010 4.534 4.527 -0.005 0.000 0.297 97 F C 1.972 177.484 175.800 -0.479 0.000 1.103 97 F CA 1.892 59.645 58.000 -0.410 0.000 1.248 97 F CB -0.112 38.583 39.000 -0.507 0.000 0.999 97 F HN 0.137 nan 8.300 nan 0.000 0.475 98 F N 0.067 119.688 119.950 -0.549 0.000 2.615 98 F HA -0.049 4.475 4.527 -0.005 0.000 0.297 98 F C 2.278 177.791 175.800 -0.479 0.000 1.124 98 F CA 1.119 58.702 58.000 -0.695 0.000 1.451 98 F CB -0.786 37.598 39.000 -1.027 0.000 1.103 98 F HN -0.112 nan 8.300 nan 0.000 0.569 99 T N -1.346 113.081 114.554 -0.212 0.000 2.770 99 T HA -0.178 4.169 4.350 -0.005 0.000 0.263 99 T C 1.585 176.146 174.700 -0.231 0.000 1.039 99 T CA 1.251 63.264 62.100 -0.146 0.000 1.142 99 T CB -0.523 68.275 68.868 -0.116 0.000 0.868 99 T HN 0.148 nan 8.240 nan 0.000 0.435 100 Y N 1.047 121.212 120.300 -0.225 0.000 2.242 100 Y HA 0.117 4.664 4.550 -0.005 0.000 0.291 100 Y C 2.254 178.031 175.900 -0.206 0.000 1.137 100 Y CA 0.330 58.292 58.100 -0.229 0.000 1.181 100 Y CB -0.379 37.883 38.460 -0.331 0.000 0.989 100 Y HN 0.103 nan 8.280 nan 0.000 0.527 101 L N -0.991 120.084 121.223 -0.246 0.000 2.131 101 L HA -0.173 4.164 4.340 -0.005 0.000 0.210 101 L C 2.325 179.168 176.870 -0.045 0.000 1.092 101 L CA 1.643 56.370 54.840 -0.187 0.000 0.759 101 L CB -0.952 40.748 42.059 -0.597 0.000 0.903 101 L HN 0.380 nan 8.230 nan 0.000 0.435 102 G N -0.495 108.271 108.800 -0.057 0.000 2.408 102 G HA2 -0.297 3.660 3.960 -0.005 0.000 0.217 102 G HA3 -0.297 3.660 3.960 -0.005 0.000 0.217 102 G C 1.644 176.593 174.900 0.082 0.000 1.150 102 G CA 0.551 45.669 45.100 0.029 0.000 0.776 102 G HN 0.173 nan 8.290 nan 0.000 0.542 103 K N 1.057 121.473 120.400 0.027 0.000 2.167 103 K HA 0.278 4.595 4.320 -0.005 0.000 0.203 103 K C 2.591 179.251 176.600 0.100 0.000 1.052 103 K CA 1.090 57.400 56.287 0.039 0.000 0.956 103 K CB -0.557 31.922 32.500 -0.033 0.000 0.735 103 K HN 0.142 nan 8.250 nan 0.000 0.451 104 A N -0.997 121.920 122.820 0.160 0.000 2.067 104 A HA -0.108 4.209 4.320 -0.005 0.000 0.219 104 A C 2.014 179.663 177.584 0.107 0.000 1.158 104 A CA 1.083 53.214 52.037 0.156 0.000 0.661 104 A CB -0.781 18.383 19.000 0.274 0.000 0.801 104 A HN 0.572 nan 8.150 nan 0.000 0.452 105 W N 0.443 121.718 121.300 -0.042 0.000 2.481 105 W HA 0.040 4.697 4.660 -0.005 0.000 0.293 105 W C 1.949 178.442 176.519 -0.043 0.000 1.201 105 W CA 1.489 58.798 57.345 -0.059 0.000 1.328 105 W CB 0.091 29.505 29.460 -0.077 0.000 1.112 105 W HN 0.415 nan 8.180 nan 0.000 0.546 106 E N -0.245 120.016 120.200 0.103 0.000 2.047 106 E HA -0.223 4.124 4.350 -0.005 0.000 0.191 106 E C 2.227 178.745 176.600 -0.138 0.000 0.987 106 E CA 2.299 58.685 56.400 -0.024 0.000 0.799 106 E CB -0.484 29.257 29.700 0.067 0.000 0.752 106 E HN 0.222 nan 8.360 nan 0.000 0.449 107 V N -0.232 119.629 119.914 -0.087 0.000 2.667 107 V HA -0.123 3.995 4.120 -0.005 0.000 0.252 107 V C 1.760 177.777 176.094 -0.129 0.000 1.065 107 V CA 1.926 64.170 62.300 -0.093 0.000 1.083 107 V CB -0.546 31.247 31.823 -0.050 0.000 0.692 107 V HN 0.134 nan 8.190 nan 0.000 0.468 108 N N 0.746 119.341 118.700 -0.175 0.000 2.453 108 N HA -0.105 4.632 4.740 -0.005 0.000 0.183 108 N C 1.722 177.082 175.510 -0.250 0.000 1.041 108 N CA 1.205 54.135 53.050 -0.200 0.000 0.900 108 N CB -0.354 38.003 38.487 -0.217 0.000 0.961 108 N HN 0.577 nan 8.380 nan 0.000 0.443 109 K N -1.317 118.888 120.400 -0.326 0.000 2.217 109 K HA 0.071 4.388 4.320 -0.005 0.000 0.202 109 K C 1.630 178.124 176.600 -0.176 0.000 1.051 109 K CA 1.091 57.198 56.287 -0.300 0.000 0.952 109 K CB -0.035 32.233 32.500 -0.387 0.000 0.736 109 K HN 0.254 nan 8.250 nan 0.000 0.453 110 G N -0.656 108.059 108.800 -0.142 0.000 2.796 110 G HA2 -0.100 3.857 3.960 -0.005 0.000 0.210 110 G HA3 -0.100 3.857 3.960 -0.005 0.000 0.210 110 G C 1.256 176.113 174.900 -0.070 0.000 1.146 110 G CA 0.835 45.879 45.100 -0.094 0.000 0.779 110 G HN 0.389 nan 8.290 nan 0.000 0.535 111 T N -3.286 111.222 114.554 -0.077 0.000 2.954 111 T HA 0.134 4.481 4.350 -0.005 0.000 0.252 111 T C 0.869 175.541 174.700 -0.047 0.000 0.983 111 T CA 0.417 62.489 62.100 -0.047 0.000 0.941 111 T CB -0.015 68.834 68.868 -0.032 0.000 1.141 111 T HN 0.151 nan 8.240 nan 0.000 0.500 112 N N 0.946 119.602 118.700 -0.072 0.000 2.671 112 N HA -0.183 4.555 4.740 -0.005 0.000 0.261 112 N C 0.582 176.055 175.510 -0.063 0.000 1.053 112 N CA 0.618 53.628 53.050 -0.065 0.000 0.732 112 N CB -1.768 36.698 38.487 -0.034 0.000 0.887 112 N HN 0.793 nan 8.380 nan 0.000 0.546 113 C N -2.493 116.758 119.300 -0.082 0.000 2.926 113 C HA 0.485 4.942 4.460 -0.005 0.000 0.272 113 C C 0.910 175.820 174.990 -0.134 0.000 1.249 113 C CA -0.624 58.343 59.018 -0.085 0.000 1.691 113 C CB -0.847 26.856 27.740 -0.062 0.000 1.983 113 C HN 0.281 nan 8.230 nan 0.000 0.615 114 V N 2.512 122.336 119.914 -0.151 0.000 2.350 114 V HA 0.245 4.362 4.120 -0.005 0.000 0.276 114 V C 1.134 177.077 176.094 -0.252 0.000 1.028 114 V CA 0.529 62.722 62.300 -0.179 0.000 0.860 114 V CB 1.169 32.911 31.823 -0.134 0.000 0.990 114 V HN 0.464 nan 8.190 nan 0.000 0.453 115 T N 3.118 117.458 114.554 -0.356 0.000 2.732 115 T HA 0.012 4.359 4.350 -0.005 0.000 0.261 115 T C 0.727 175.274 174.700 -0.255 0.000 1.040 115 T CA 1.471 63.197 62.100 -0.623 0.000 1.145 115 T CB 0.129 68.638 68.868 -0.599 0.000 0.866 115 T HN 0.808 nan 8.240 nan 0.000 0.427 116 S N -0.820 114.813 115.700 -0.110 0.000 2.596 116 S HA 0.521 4.988 4.470 -0.005 0.000 0.270 116 S C -1.538 173.049 174.600 -0.023 0.000 1.155 116 S CA -1.096 57.109 58.200 0.008 0.000 0.827 116 S CB 1.272 64.529 63.200 0.094 0.000 1.130 116 S HN 0.376 nan 8.310 nan 0.000 0.467 117 Y N 1.713 121.956 120.300 -0.094 0.000 2.341 117 Y HA 0.565 5.112 4.550 -0.005 0.000 0.340 117 Y C -0.578 175.215 175.900 -0.178 0.000 0.997 117 Y CA -1.124 56.897 58.100 -0.131 0.000 1.149 117 Y CB 0.638 39.092 38.460 -0.011 0.000 1.171 117 Y HN 0.660 nan 8.280 nan 0.000 0.494 118 L N 7.592 128.408 121.223 -0.679 0.000 2.404 118 L HA 0.056 4.393 4.340 -0.005 0.000 0.277 118 L C 1.537 178.044 176.870 -0.606 0.000 1.184 118 L CA -0.061 54.180 54.840 -0.999 0.000 1.013 118 L CB 0.187 41.312 42.059 -1.556 0.000 1.318 118 L HN 0.878 nan 8.230 nan 0.000 0.435 119 T N -2.057 112.387 114.554 -0.183 0.000 2.778 119 T HA -0.241 4.106 4.350 -0.005 0.000 0.269 119 T C 1.001 175.632 174.700 -0.115 0.000 1.050 119 T CA 1.519 63.498 62.100 -0.201 0.000 1.137 119 T CB -0.473 68.407 68.868 0.021 0.000 0.860 119 T HN 0.715 nan 8.240 nan 0.000 0.468 120 D N 1.378 121.799 120.400 0.035 0.000 2.413 120 D HA 0.165 4.802 4.640 -0.005 0.000 0.237 120 D C 0.887 177.201 176.300 0.024 0.000 1.171 120 D CA -0.505 53.529 54.000 0.057 0.000 0.839 120 D CB -1.184 39.677 40.800 0.102 0.000 0.950 120 D HN 0.742 nan 8.370 nan 0.000 0.499 121 C N -1.452 117.809 119.300 -0.064 0.000 2.470 121 C HA 0.508 4.965 4.460 -0.005 0.000 0.350 121 C C 1.342 176.237 174.990 -0.159 0.000 1.341 121 C CA -0.515 58.408 59.018 -0.159 0.000 2.440 121 C CB 0.621 28.236 27.740 -0.208 0.000 2.295 121 C HN 0.585 nan 8.230 nan 0.000 0.645 122 E N -1.815 118.204 120.200 -0.302 0.000 4.250 122 E HA -0.257 4.090 4.350 -0.005 0.000 0.325 122 E C 1.154 177.710 176.600 -0.074 0.000 0.640 122 E CA 1.780 58.093 56.400 -0.145 0.000 1.343 122 E CB -1.982 27.764 29.700 0.077 0.000 1.759 122 E HN 0.970 nan 8.360 nan 0.000 0.401 123 T N -1.398 113.116 114.554 -0.068 0.000 3.065 123 T HA 0.047 4.394 4.350 -0.005 0.000 0.252 123 T C 1.521 176.173 174.700 -0.080 0.000 1.099 123 T CA 1.006 63.075 62.100 -0.051 0.000 1.063 123 T CB 0.227 69.080 68.868 -0.026 0.000 0.948 123 T HN -0.003 nan 8.240 nan 0.000 0.506 124 Q N 0.402 120.124 119.800 -0.130 0.000 2.408 124 Q HA 0.383 4.720 4.340 -0.005 0.000 0.205 124 Q C 1.810 177.674 176.000 -0.226 0.000 0.919 124 Q CA 0.396 56.106 55.803 -0.154 0.000 0.932 124 Q CB -0.493 28.160 28.738 -0.142 0.000 1.058 124 Q HN 0.501 nan 8.270 nan 0.000 0.517 125 L N -0.975 120.076 121.223 -0.286 0.000 2.072 125 L HA -0.091 4.246 4.340 -0.005 0.000 0.205 125 L C 2.246 179.043 176.870 -0.122 0.000 1.079 125 L CA 1.123 55.805 54.840 -0.264 0.000 0.752 125 L CB -0.450 41.444 42.059 -0.275 0.000 0.906 125 L HN 0.150 nan 8.230 nan 0.000 0.436 126 S N -0.600 115.053 115.700 -0.077 0.000 2.343 126 S HA -0.177 4.291 4.470 -0.005 0.000 0.219 126 S C 1.366 175.958 174.600 -0.014 0.000 1.033 126 S CA 1.544 59.729 58.200 -0.025 0.000 1.014 126 S CB -0.195 62.996 63.200 -0.014 0.000 0.915 126 S HN 0.498 nan 8.310 nan 0.000 0.435 127 Q N 0.080 119.862 119.800 -0.030 0.000 2.771 127 Q HA 0.741 5.078 4.340 -0.005 0.000 0.239 127 Q C -0.522 175.463 176.000 -0.024 0.000 1.231 127 Q CA -0.152 55.640 55.803 -0.018 0.000 1.056 127 Q CB 0.404 29.127 28.738 -0.025 0.000 1.284 127 Q HN 0.573 nan 8.270 nan 0.000 0.558 128 A N 2.455 125.282 122.820 0.012 0.000 2.304 128 A HA 0.814 5.131 4.320 -0.005 0.000 0.314 128 A C -2.646 175.027 177.584 0.147 0.000 1.187 128 A CA -1.763 50.300 52.037 0.044 0.000 0.810 128 A CB 0.978 19.964 19.000 -0.023 0.000 1.183 128 A HN 0.531 nan 8.150 nan 0.000 0.487 129 P HA 0.099 nan 4.420 nan 0.000 0.264 129 P C 0.833 178.177 177.300 0.073 0.000 1.193 129 P CA -0.221 62.913 63.100 0.057 0.000 0.763 129 P CB 0.638 32.341 31.700 0.005 0.000 0.810 130 R N 3.394 123.843 120.500 -0.085 0.000 2.057 130 R HA -0.106 4.231 4.340 -0.005 0.000 0.229 130 R C 1.639 177.628 176.300 -0.518 0.000 1.136 130 R CA 1.929 57.769 56.100 -0.433 0.000 0.952 130 R CB -0.583 29.528 30.300 -0.316 0.000 0.848 130 R HN 0.582 nan 8.270 nan 0.000 0.430 131 Q N 0.428 120.092 119.800 -0.226 0.000 2.242 131 Q HA 0.292 4.629 4.340 -0.005 0.000 0.246 131 Q C 0.381 176.353 176.000 -0.047 0.000 0.883 131 Q CA 0.287 56.004 55.803 -0.144 0.000 0.984 131 Q CB 0.064 28.746 28.738 -0.093 0.000 1.096 131 Q HN 0.483 nan 8.270 nan 0.000 0.452 132 G N 0.096 108.893 108.800 -0.005 0.000 2.441 132 G HA2 0.333 4.290 3.960 -0.005 0.000 0.243 132 G HA3 0.333 4.290 3.960 -0.005 0.000 0.243 132 G C 0.817 175.752 174.900 0.059 0.000 1.281 132 G CA -0.536 44.592 45.100 0.046 0.000 0.854 132 G HN 0.337 nan 8.290 nan 0.000 0.560 133 L N 1.340 122.583 121.223 0.033 0.000 2.353 133 L HA 0.053 4.390 4.340 -0.005 0.000 0.220 133 L C 1.698 178.581 176.870 0.022 0.000 1.133 133 L CA 1.295 56.148 54.840 0.021 0.000 0.798 133 L CB -0.831 41.227 42.059 -0.002 0.000 0.922 133 L HN 0.457 nan 8.230 nan 0.000 0.445 134 L N -2.072 119.168 121.223 0.027 0.000 2.960 134 L HA 0.089 4.426 4.340 -0.005 0.000 0.274 134 L C 1.156 178.043 176.870 0.029 0.000 1.327 134 L CA -0.275 54.570 54.840 0.008 0.000 0.860 134 L CB 0.134 42.171 42.059 -0.037 0.000 1.239 134 L HN 0.013 nan 8.230 nan 0.000 0.551 135 Y N 0.830 121.104 120.300 -0.043 0.000 2.242 135 Y HA -0.063 4.484 4.550 -0.005 0.000 0.291 135 Y C 1.942 177.813 175.900 -0.048 0.000 1.137 135 Y CA 1.767 59.841 58.100 -0.043 0.000 1.181 135 Y CB 0.412 38.854 38.460 -0.029 0.000 0.989 135 Y HN 0.328 nan 8.280 nan 0.000 0.527 136 G N -0.203 108.450 108.800 -0.244 0.000 2.939 136 G HA2 0.126 4.083 3.960 -0.005 0.000 0.210 136 G HA3 0.126 4.083 3.960 -0.005 0.000 0.210 136 G C -0.248 174.517 174.900 -0.225 0.000 1.160 136 G CA 0.147 45.051 45.100 -0.327 0.000 0.770 136 G HN 0.119 nan 8.290 nan 0.000 0.543 137 V N 2.512 122.321 119.914 -0.175 0.000 2.432 137 V HA 0.282 4.399 4.120 -0.005 0.000 0.271 137 V C -2.195 173.788 176.094 -0.185 0.000 1.046 137 V CA -1.739 60.464 62.300 -0.162 0.000 0.945 137 V CB 1.576 33.325 31.823 -0.124 0.000 0.992 137 V HN 0.035 nan 8.190 nan 0.000 0.471 138 P HA 0.310 nan 4.420 nan 0.000 0.293 138 P C -0.690 176.515 177.300 -0.158 0.000 1.313 138 P CA -0.260 62.652 63.100 -0.313 0.000 0.787 138 P CB 1.175 32.448 31.700 -0.713 0.000 0.910 139 V N 1.197 121.175 119.914 0.107 0.000 2.435 139 V HA 0.682 4.799 4.120 -0.005 0.000 0.290 139 V C 0.042 176.283 176.094 0.245 0.000 1.030 139 V CA -0.852 61.532 62.300 0.140 0.000 0.881 139 V CB 1.370 33.183 31.823 -0.016 0.000 0.983 139 V HN 0.524 nan 8.190 nan 0.000 0.445 140 S N 5.925 121.695 115.700 0.117 0.000 2.513 140 S HA 0.761 5.228 4.470 -0.005 0.000 0.276 140 S C -0.451 174.064 174.600 -0.142 0.000 1.254 140 S CA -0.710 57.413 58.200 -0.127 0.000 1.053 140 S CB 0.715 63.835 63.200 -0.134 0.000 0.958 140 S HN 0.753 nan 8.310 nan 0.000 0.491 141 L N 2.475 123.609 121.223 -0.150 0.000 2.317 141 L HA 0.530 4.867 4.340 -0.005 0.000 0.281 141 L C 0.435 177.338 176.870 0.054 0.000 1.024 141 L CA -0.916 53.863 54.840 -0.101 0.000 0.810 141 L CB 1.340 43.391 42.059 -0.014 0.000 1.240 141 L HN 0.653 nan 8.230 nan 0.000 0.427 142 K N 1.487 121.974 120.400 0.145 0.000 2.382 142 K HA -0.038 4.279 4.320 -0.005 0.000 0.275 142 K C 0.991 177.702 176.600 0.186 0.000 1.009 142 K CA 0.036 56.452 56.287 0.216 0.000 0.970 142 K CB 1.023 33.728 32.500 0.342 0.000 0.934 142 K HN 0.695 nan 8.250 nan 0.000 0.479 143 E N 2.585 122.731 120.200 -0.090 0.000 2.171 143 E HA -0.257 4.091 4.350 -0.005 0.000 0.197 143 E C 1.563 177.964 176.600 -0.331 0.000 0.997 143 E CA 2.116 58.240 56.400 -0.459 0.000 0.810 143 E CB -0.200 29.324 29.700 -0.294 0.000 0.738 143 E HN 0.791 nan 8.360 nan 0.000 0.467 144 C N -0.216 119.021 119.300 -0.104 0.000 2.422 144 C HA 0.055 4.512 4.460 -0.005 0.000 0.286 144 C C 1.029 175.967 174.990 -0.088 0.000 1.412 144 C CA -0.736 58.218 59.018 -0.106 0.000 1.786 144 C CB -1.751 25.894 27.740 -0.159 0.000 1.835 144 C HN 0.160 nan 8.230 nan 0.000 0.533 145 F N 3.735 123.712 119.950 0.045 0.000 2.512 145 F HA 0.221 4.745 4.527 -0.005 0.000 0.350 145 F C 1.289 177.230 175.800 0.235 0.000 1.212 145 F CA 0.163 58.242 58.000 0.131 0.000 1.099 145 F CB -0.014 39.071 39.000 0.142 0.000 1.238 145 F HN 0.236 nan 8.300 nan 0.000 0.600 146 S N 4.374 120.249 115.700 0.292 0.000 2.465 146 S HA 0.053 4.520 4.470 -0.005 0.000 0.307 146 S C -0.694 174.088 174.600 0.303 0.000 1.187 146 S CA -0.549 57.819 58.200 0.279 0.000 1.141 146 S CB -0.528 62.771 63.200 0.164 0.000 1.108 146 S HN 0.527 nan 8.310 nan 0.000 0.525 147 Y N 2.933 123.369 120.300 0.225 0.000 2.327 147 Y HA 0.446 4.993 4.550 -0.005 0.000 0.336 147 Y C 0.701 176.676 175.900 0.127 0.000 1.035 147 Y CA -0.351 57.802 58.100 0.088 0.000 1.165 147 Y CB 0.407 38.787 38.460 -0.134 0.000 1.181 147 Y HN 0.866 nan 8.280 nan 0.000 0.494 148 K N 3.498 123.888 120.400 -0.016 0.000 2.511 148 K HA 0.370 4.687 4.320 -0.005 0.000 0.280 148 K C 1.102 177.830 176.600 0.215 0.000 1.008 148 K CA 0.491 56.807 56.287 0.048 0.000 1.050 148 K CB -0.788 31.657 32.500 -0.091 0.000 0.889 148 K HN 1.586 nan 8.250 nan 0.000 0.484 149 G N 1.069 109.949 108.800 0.134 0.000 2.195 149 G HA2 -0.170 3.787 3.960 -0.005 0.000 0.246 149 G HA3 -0.170 3.787 3.960 -0.005 0.000 0.246 149 G C 0.234 175.062 174.900 -0.121 0.000 0.984 149 G CA 0.442 45.554 45.100 0.020 0.000 0.633 149 G HN 1.053 nan 8.290 nan 0.000 0.525 150 H N 0.191 119.353 119.070 0.153 0.000 2.797 150 H HA 0.475 5.028 4.556 -0.005 0.000 0.372 150 H C -1.009 174.442 175.328 0.205 0.000 1.168 150 H CA -0.686 55.463 56.048 0.167 0.000 1.163 150 H CB 1.652 31.500 29.762 0.142 0.000 1.778 150 H HN 0.194 nan 8.280 nan 0.000 0.551 151 D N 0.114 120.722 120.400 0.346 0.000 2.302 151 D HA 0.171 4.808 4.640 -0.005 0.000 0.248 151 D C -0.393 176.046 176.300 0.232 0.000 1.094 151 D CA 0.122 54.271 54.000 0.247 0.000 0.897 151 D CB 0.903 41.828 40.800 0.209 0.000 1.200 151 D HN 0.212 nan 8.370 nan 0.000 0.429 152 S N 0.922 116.707 115.700 0.143 0.000 2.468 152 S HA 0.201 4.668 4.470 -0.005 0.000 0.190 152 S C -0.300 174.330 174.600 0.050 0.000 1.445 152 S CA -0.810 57.421 58.200 0.052 0.000 1.084 152 S CB 0.082 63.309 63.200 0.046 0.000 1.175 152 S HN 0.499 nan 8.310 nan 0.000 0.484 153 T N 1.429 116.031 114.554 0.080 0.000 2.727 153 T HA 0.308 4.655 4.350 -0.005 0.000 0.295 153 T C 0.099 174.831 174.700 0.053 0.000 0.915 153 T CA -0.750 61.392 62.100 0.070 0.000 1.066 153 T CB -0.059 68.885 68.868 0.128 0.000 0.891 153 T HN 0.113 nan 8.240 nan 0.000 0.516 154 L N 4.572 125.792 121.223 -0.006 0.000 2.399 154 L HA 0.364 4.701 4.340 -0.005 0.000 0.257 154 L C 1.770 178.630 176.870 -0.017 0.000 1.236 154 L CA 0.536 55.368 54.840 -0.013 0.000 1.144 154 L CB -0.955 41.076 42.059 -0.047 0.000 1.379 154 L HN 1.167 nan 8.230 nan 0.000 0.414 155 G N 1.852 110.683 108.800 0.051 0.000 2.205 155 G HA2 -0.305 3.652 3.960 -0.005 0.000 0.269 155 G HA3 -0.305 3.652 3.960 -0.005 0.000 0.269 155 G C 0.247 175.128 174.900 -0.031 0.000 0.977 155 G CA 0.222 45.350 45.100 0.047 0.000 0.652 155 G HN 0.361 nan 8.290 nan 0.000 0.539 156 L N 0.961 122.137 121.223 -0.079 0.000 2.325 156 L HA 0.614 4.951 4.340 -0.005 0.000 0.281 156 L C 1.518 178.327 176.870 -0.101 0.000 1.004 156 L CA 0.325 55.072 54.840 -0.155 0.000 0.823 156 L CB 1.460 43.373 42.059 -0.244 0.000 1.236 156 L HN 0.047 nan 8.230 nan 0.000 0.415 157 S N 2.798 118.449 115.700 -0.082 0.000 2.387 157 S HA -0.205 4.262 4.470 -0.005 0.000 0.230 157 S C 1.795 176.364 174.600 -0.052 0.000 1.035 157 S CA 1.188 59.357 58.200 -0.051 0.000 1.014 157 S CB -0.307 62.886 63.200 -0.011 0.000 0.836 157 S HN 0.606 nan 8.310 nan 0.000 0.466 158 L N 2.551 123.728 121.223 -0.077 0.000 2.054 158 L HA -0.245 4.092 4.340 -0.005 0.000 0.220 158 L C 0.795 177.640 176.870 -0.043 0.000 1.081 158 L CA 1.946 56.745 54.840 -0.069 0.000 0.780 158 L CB -0.712 41.283 42.059 -0.108 0.000 0.893 158 L HN 0.501 nan 8.230 nan 0.000 0.438 159 N N -1.965 116.710 118.700 -0.041 0.000 2.389 159 N HA 0.070 4.807 4.740 -0.005 0.000 0.260 159 N C 0.942 176.459 175.510 0.013 0.000 1.191 159 N CA 0.126 53.172 53.050 -0.007 0.000 0.885 159 N CB 0.327 38.816 38.487 0.004 0.000 1.162 159 N HN 0.213 nan 8.380 nan 0.000 0.512 160 E N 1.087 121.286 120.200 -0.001 0.000 2.299 160 E HA 0.046 4.393 4.350 -0.005 0.000 0.193 160 E C 1.809 178.421 176.600 0.019 0.000 0.998 160 E CA 0.878 57.283 56.400 0.009 0.000 0.851 160 E CB -0.534 29.150 29.700 -0.027 0.000 0.795 160 E HN 0.376 nan 8.360 nan 0.000 0.492 161 G N 1.475 110.283 108.800 0.013 0.000 2.586 161 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.218 161 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.218 161 G C 0.874 175.791 174.900 0.028 0.000 1.216 161 G CA 1.558 46.668 45.100 0.017 0.000 0.786 161 G HN 0.355 nan 8.290 nan 0.000 0.583 162 M N 1.743 121.365 119.600 0.037 0.000 2.113 162 M HA 0.434 4.911 4.480 -0.005 0.000 0.352 162 M C -2.860 173.480 176.300 0.067 0.000 1.170 162 M CA -3.183 52.144 55.300 0.045 0.000 1.053 162 M CB 1.172 33.798 32.600 0.043 0.000 1.601 162 M HN -0.085 nan 8.290 nan 0.000 0.459 163 P HA 0.192 nan 4.420 nan 0.000 0.273 163 P C -0.689 176.661 177.300 0.083 0.000 1.250 163 P CA -0.248 62.900 63.100 0.080 0.000 0.793 163 P CB 0.392 32.114 31.700 0.037 0.000 1.011 164 S N -0.453 115.314 115.700 0.112 0.000 2.499 164 S HA 0.342 4.809 4.470 -0.005 0.000 0.279 164 S C 1.586 176.222 174.600 0.061 0.000 1.219 164 S CA -0.179 58.080 58.200 0.098 0.000 1.062 164 S CB 0.873 64.156 63.200 0.139 0.000 0.978 164 S HN 0.601 nan 8.310 nan 0.000 0.489 165 E N 1.667 121.892 120.200 0.041 0.000 2.204 165 E HA 0.003 4.350 4.350 -0.005 0.000 0.195 165 E C 0.900 177.506 176.600 0.010 0.000 0.990 165 E CA 1.255 57.668 56.400 0.021 0.000 0.821 165 E CB -0.040 29.669 29.700 0.015 0.000 0.750 165 E HN 0.601 nan 8.360 nan 0.000 0.477 166 S N -0.805 114.902 115.700 0.012 0.000 2.570 166 S HA 0.410 4.877 4.470 -0.005 0.000 0.270 166 S C -1.803 172.791 174.600 -0.011 0.000 1.149 166 S CA -0.634 57.559 58.200 -0.012 0.000 0.837 166 S CB 1.563 64.754 63.200 -0.015 0.000 1.124 166 S HN 0.173 nan 8.310 nan 0.000 0.465 167 D N 1.921 122.279 120.400 -0.070 0.000 2.571 167 D HA 0.108 4.745 4.640 -0.005 0.000 0.231 167 D C 0.746 177.042 176.300 -0.007 0.000 1.133 167 D CA 0.448 54.397 54.000 -0.085 0.000 0.862 167 D CB 0.020 40.712 40.800 -0.180 0.000 1.179 167 D HN 0.742 nan 8.370 nan 0.000 0.474 168 C N 0.974 120.305 119.300 0.052 0.000 2.520 168 C HA 0.316 4.773 4.460 -0.005 0.000 0.376 168 C C 2.098 177.132 174.990 0.072 0.000 1.268 168 C CA -0.941 58.127 59.018 0.082 0.000 2.414 168 C CB 0.370 28.197 27.740 0.145 0.000 2.521 168 C HN 0.492 nan 8.230 nan 0.000 0.618 169 V N 2.572 122.528 119.914 0.071 0.000 2.287 169 V HA -0.197 3.920 4.120 -0.005 0.000 0.248 169 V C 2.593 178.722 176.094 0.057 0.000 1.053 169 V CA 2.753 65.085 62.300 0.053 0.000 1.027 169 V CB -0.678 31.178 31.823 0.056 0.000 0.646 169 V HN 1.021 nan 8.190 nan 0.000 0.447 170 V N -2.615 117.362 119.914 0.106 0.000 3.141 170 V HA -0.031 4.086 4.120 -0.005 0.000 0.265 170 V C 1.993 178.121 176.094 0.058 0.000 1.126 170 V CA 1.442 63.799 62.300 0.094 0.000 1.141 170 V CB -0.143 31.776 31.823 0.160 0.000 0.743 170 V HN 0.282 nan 8.190 nan 0.000 0.492 171 V N 0.112 120.072 119.914 0.078 0.000 2.599 171 V HA -0.129 3.988 4.120 -0.005 0.000 0.245 171 V C 2.737 178.815 176.094 -0.027 0.000 1.046 171 V CA 1.899 64.219 62.300 0.033 0.000 1.065 171 V CB -0.352 31.525 31.823 0.091 0.000 0.703 171 V HN 0.518 nan 8.190 nan 0.000 0.464 172 Q N -0.013 119.766 119.800 -0.036 0.000 2.077 172 Q HA -0.234 4.103 4.340 -0.005 0.000 0.206 172 Q C 2.363 178.316 176.000 -0.077 0.000 0.989 172 Q CA 2.380 58.144 55.803 -0.065 0.000 0.853 172 Q CB -0.470 28.239 28.738 -0.048 0.000 0.907 172 Q HN 0.677 nan 8.270 nan 0.000 0.418 173 V N -1.454 118.427 119.914 -0.056 0.000 2.871 173 V HA -0.100 4.017 4.120 -0.005 0.000 0.256 173 V C 1.775 177.824 176.094 -0.075 0.000 1.082 173 V CA 1.078 63.333 62.300 -0.074 0.000 1.105 173 V CB -0.359 31.434 31.823 -0.050 0.000 0.713 173 V HN 0.280 nan 8.190 nan 0.000 0.473 174 L N -0.326 120.862 121.223 -0.059 0.000 2.156 174 L HA -0.030 4.307 4.340 -0.005 0.000 0.208 174 L C 2.796 179.627 176.870 -0.065 0.000 1.095 174 L CA 1.712 56.516 54.840 -0.060 0.000 0.770 174 L CB -0.362 41.664 42.059 -0.054 0.000 0.914 174 L HN 0.285 nan 8.230 nan 0.000 0.439 175 K N 0.044 120.401 120.400 -0.072 0.000 2.062 175 K HA -0.085 4.232 4.320 -0.005 0.000 0.205 175 K C 1.980 178.521 176.600 -0.098 0.000 1.051 175 K CA 0.996 57.234 56.287 -0.082 0.000 0.941 175 K CB -0.097 32.348 32.500 -0.091 0.000 0.719 175 K HN 0.185 nan 8.250 nan 0.000 0.440 176 L N 0.680 121.820 121.223 -0.140 0.000 2.353 176 L HA -0.161 4.176 4.340 -0.005 0.000 0.220 176 L C 1.932 178.706 176.870 -0.160 0.000 1.133 176 L CA 0.841 55.554 54.840 -0.213 0.000 0.798 176 L CB -0.056 41.755 42.059 -0.413 0.000 0.922 176 L HN 0.133 nan 8.230 nan 0.000 0.445 177 Q N -0.326 119.418 119.800 -0.094 0.000 2.247 177 Q HA 0.185 4.522 4.340 -0.005 0.000 0.204 177 Q C 1.134 177.134 176.000 0.001 0.000 0.872 177 Q CA 0.558 56.340 55.803 -0.035 0.000 0.951 177 Q CB 0.664 29.383 28.738 -0.031 0.000 1.099 177 Q HN 0.341 nan 8.270 nan 0.000 0.501 178 G N -0.819 107.972 108.800 -0.015 0.000 2.136 178 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.242 178 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.242 178 G C 0.203 175.058 174.900 -0.075 0.000 0.989 178 G CA 0.088 45.192 45.100 0.007 0.000 0.682 178 G HN 0.587 nan 8.290 nan 0.000 0.522 179 A N -0.842 121.932 122.820 -0.077 0.000 2.272 179 A HA 0.778 5.095 4.320 -0.005 0.000 0.275 179 A C 0.519 178.038 177.584 -0.109 0.000 1.096 179 A CA 0.338 52.315 52.037 -0.100 0.000 0.822 179 A CB 1.124 20.080 19.000 -0.074 0.000 1.088 179 A HN 1.306 nan 8.150 nan 0.000 0.495 180 V N 1.337 121.186 119.914 -0.108 0.000 2.276 180 V HA 0.287 4.404 4.120 -0.005 0.000 0.268 180 V C -2.701 173.436 176.094 0.071 0.000 1.032 180 V CA -1.530 60.711 62.300 -0.098 0.000 0.810 180 V CB 0.617 32.279 31.823 -0.268 0.000 1.060 180 V HN 0.667 nan 8.190 nan 0.000 0.446 181 P HA 0.194 nan 4.420 nan 0.000 0.269 181 P C 0.022 177.371 177.300 0.081 0.000 1.252 181 P CA 0.073 63.261 63.100 0.146 0.000 0.780 181 P CB 0.253 32.067 31.700 0.190 0.000 0.829 182 F N 3.536 123.400 119.950 -0.142 0.000 2.819 182 F HA 0.324 4.848 4.527 -0.005 0.000 0.325 182 F C -0.339 175.397 175.800 -0.107 0.000 1.041 182 F CA -0.368 57.594 58.000 -0.063 0.000 1.184 182 F CB -0.007 39.130 39.000 0.229 0.000 1.019 182 F HN 0.062 nan 8.300 nan 0.000 0.590 183 V N -1.085 118.366 119.914 -0.771 0.000 2.876 183 V HA 0.526 4.643 4.120 -0.005 0.000 0.312 183 V C -0.920 174.913 176.094 -0.433 0.000 1.085 183 V CA -1.002 60.941 62.300 -0.595 0.000 0.945 183 V CB 1.210 32.641 31.823 -0.654 0.000 1.017 183 V HN 0.283 nan 8.190 nan 0.000 0.428 184 H N 1.489 120.333 119.070 -0.376 0.000 2.582 184 H HA 0.625 5.179 4.556 -0.005 0.000 0.345 184 H C 0.342 175.517 175.328 -0.256 0.000 1.104 184 H CA 0.179 56.065 56.048 -0.270 0.000 1.390 184 H CB 1.573 31.202 29.762 -0.222 0.000 1.461 184 H HN 1.015 nan 8.280 nan 0.000 0.551 185 T N 0.607 115.119 114.554 -0.071 0.000 2.940 185 T HA 0.181 4.528 4.350 -0.005 0.000 0.288 185 T C 0.187 174.807 174.700 -0.134 0.000 1.033 185 T CA -1.211 60.817 62.100 -0.121 0.000 1.033 185 T CB 1.540 70.357 68.868 -0.084 0.000 1.079 185 T HN 0.453 nan 8.240 nan 0.000 0.496 186 N N 0.225 118.844 118.700 -0.135 0.000 2.518 186 N HA 0.410 5.147 4.740 -0.005 0.000 0.266 186 N C -0.340 175.153 175.510 -0.029 0.000 1.196 186 N CA -0.265 52.716 53.050 -0.115 0.000 0.947 186 N CB 0.580 39.013 38.487 -0.091 0.000 1.098 186 N HN 0.747 nan 8.380 nan 0.000 0.450 187 V N 0.781 120.698 119.914 0.004 0.000 2.960 187 V HA 0.772 4.889 4.120 -0.005 0.000 0.315 187 V C -2.448 173.689 176.094 0.072 0.000 1.087 187 V CA -2.191 60.136 62.300 0.045 0.000 0.982 187 V CB 1.767 33.615 31.823 0.042 0.000 1.039 187 V HN 0.612 nan 8.190 nan 0.000 0.437 188 P HA 0.109 nan 4.420 nan 0.000 0.272 188 P C 0.498 177.867 177.300 0.114 0.000 1.240 188 P CA 0.075 63.229 63.100 0.091 0.000 0.791 188 P CB 1.027 32.777 31.700 0.084 0.000 0.978 189 Q N 1.277 121.160 119.800 0.137 0.000 1.906 189 Q HA -0.219 4.118 4.340 -0.005 0.000 0.221 189 Q C 1.864 177.932 176.000 0.113 0.000 1.021 189 Q CA 2.726 58.616 55.803 0.145 0.000 0.880 189 Q CB -0.851 28.021 28.738 0.224 0.000 0.966 189 Q HN 0.395 nan 8.270 nan 0.000 0.418 190 S N -1.361 114.468 115.700 0.216 0.000 2.650 190 S HA 0.103 4.570 4.470 -0.005 0.000 0.219 190 S C 0.711 175.413 174.600 0.169 0.000 0.960 190 S CA 0.706 58.995 58.200 0.149 0.000 0.925 190 S CB -0.199 63.197 63.200 0.328 0.000 0.775 190 S HN 0.526 nan 8.310 nan 0.000 0.525 191 M N -1.480 118.209 119.600 0.149 0.000 2.880 191 M HA -0.237 4.240 4.480 -0.005 0.000 0.173 191 M C -0.032 176.376 176.300 0.180 0.000 0.657 191 M CA 0.657 56.041 55.300 0.140 0.000 0.661 191 M CB -1.199 31.454 32.600 0.088 0.000 2.393 191 M HN 0.279 nan 8.290 nan 0.000 0.280 192 L N 1.623 123.008 121.223 0.270 0.000 2.536 192 L HA 0.538 4.875 4.340 -0.005 0.000 0.242 192 L C 0.208 177.196 176.870 0.197 0.000 1.280 192 L CA 0.680 55.655 54.840 0.224 0.000 1.221 192 L CB 0.439 42.626 42.059 0.214 0.000 1.449 192 L HN 0.241 nan 8.230 nan 0.000 0.405 193 S N 1.091 116.888 115.700 0.161 0.000 2.565 193 S HA 0.346 4.814 4.470 -0.005 0.000 0.274 193 S C -0.121 174.558 174.600 0.132 0.000 1.144 193 S CA -0.587 57.680 58.200 0.112 0.000 0.849 193 S CB 0.454 63.702 63.200 0.080 0.000 1.103 193 S HN 0.319 nan 8.310 nan 0.000 0.455 194 F N 1.280 121.153 119.950 -0.129 0.000 2.639 194 F HA 0.560 5.084 4.527 -0.005 0.000 0.302 194 F C 0.362 176.093 175.800 -0.115 0.000 1.097 194 F CA -0.563 57.296 58.000 -0.235 0.000 1.294 194 F CB 0.040 38.579 39.000 -0.767 0.000 1.027 194 F HN 0.486 nan 8.300 nan 0.000 0.550 195 D N 0.444 120.706 120.400 -0.231 0.000 2.469 195 D HA 0.272 4.909 4.640 -0.005 0.000 0.278 195 D C -0.766 175.535 176.300 0.002 0.000 1.231 195 D CA -0.606 53.322 54.000 -0.119 0.000 1.075 195 D CB 1.874 42.579 40.800 -0.159 0.000 1.121 195 D HN 0.191 nan 8.370 nan 0.000 0.571 196 C N 1.183 120.493 119.300 0.016 0.000 2.919 196 C HA 0.658 5.115 4.460 -0.005 0.000 0.337 196 C C -1.107 173.905 174.990 0.036 0.000 1.039 196 C CA -0.171 58.873 59.018 0.042 0.000 1.373 196 C CB -1.161 26.614 27.740 0.057 0.000 1.843 196 C HN 0.438 nan 8.230 nan 0.000 0.493 197 S N 4.793 120.521 115.700 0.047 0.000 2.586 197 S HA 0.720 5.187 4.470 -0.005 0.000 0.277 197 S C -2.032 172.613 174.600 0.075 0.000 1.131 197 S CA -0.460 57.772 58.200 0.053 0.000 0.848 197 S CB 1.375 64.591 63.200 0.027 0.000 1.091 197 S HN 1.131 nan 8.310 nan 0.000 0.453 198 N N 2.591 121.342 118.700 0.084 0.000 2.598 198 N HA 0.386 5.123 4.740 -0.005 0.000 0.263 198 N C -2.922 172.615 175.510 0.044 0.000 1.254 198 N CA -1.334 51.770 53.050 0.090 0.000 0.863 198 N CB 1.541 40.105 38.487 0.129 0.000 1.586 198 N HN 0.308 nan 8.380 nan 0.000 0.491 199 P HA -0.016 nan 4.420 nan 0.000 0.216 199 P C 1.706 178.928 177.300 -0.131 0.000 1.153 199 P CA 0.687 63.747 63.100 -0.067 0.000 0.848 199 P CB 0.325 32.006 31.700 -0.032 0.000 0.787 200 L N -2.468 118.654 121.223 -0.169 0.000 2.079 200 L HA -0.129 4.208 4.340 -0.005 0.000 0.210 200 L C 2.043 178.558 176.870 -0.591 0.000 1.081 200 L CA 1.996 56.593 54.840 -0.405 0.000 0.752 200 L CB -1.193 40.550 42.059 -0.526 0.000 0.896 200 L HN -0.035 nan 8.230 nan 0.000 0.433 201 F N -2.064 117.878 119.950 -0.014 0.000 2.712 201 F HA 0.479 5.003 4.527 -0.005 0.000 0.297 201 F C 1.532 177.319 175.800 -0.022 0.000 1.114 201 F CA 0.289 58.281 58.000 -0.013 0.000 1.305 201 F CB -0.102 38.895 39.000 -0.005 0.000 1.086 201 F HN 0.079 nan 8.300 nan 0.000 0.599 202 G N 1.042 109.915 108.800 0.122 0.000 2.760 202 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.246 202 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.246 202 G C -0.692 174.247 174.900 0.065 0.000 1.359 202 G CA -0.842 44.294 45.100 0.060 0.000 0.861 202 G HN 0.240 nan 8.290 nan 0.000 0.541 203 Q N -0.214 119.604 119.800 0.030 0.000 2.332 203 Q HA 0.527 4.864 4.340 -0.005 0.000 0.263 203 Q C 0.386 176.396 176.000 0.017 0.000 0.979 203 Q CA 0.501 56.316 55.803 0.020 0.000 0.885 203 Q CB 0.433 29.173 28.738 0.003 0.000 1.218 203 Q HN 0.650 nan 8.270 nan 0.000 0.405 204 T N 4.097 118.662 114.554 0.019 0.000 2.875 204 T HA 0.502 4.849 4.350 -0.005 0.000 0.284 204 T C -0.375 174.336 174.700 0.018 0.000 0.995 204 T CA -0.451 61.657 62.100 0.013 0.000 1.060 204 T CB 0.732 69.611 68.868 0.019 0.000 0.967 204 T HN 0.519 nan 8.240 nan 0.000 0.476 205 M N 2.630 122.240 119.600 0.016 0.000 2.578 205 M HA 0.384 4.861 4.480 -0.005 0.000 0.321 205 M C 0.328 176.661 176.300 0.056 0.000 1.182 205 M CA -0.901 54.414 55.300 0.025 0.000 0.965 205 M CB 1.193 33.798 32.600 0.009 0.000 1.694 205 M HN 0.371 nan 8.290 nan 0.000 0.461 206 N N 2.801 121.549 118.700 0.081 0.000 2.454 206 N HA 0.118 4.855 4.740 -0.005 0.000 0.260 206 N C -1.809 173.782 175.510 0.135 0.000 1.218 206 N CA -1.392 51.746 53.050 0.147 0.000 0.904 206 N CB 0.837 39.416 38.487 0.154 0.000 1.065 206 N HN 0.355 nan 8.380 nan 0.000 0.462 207 P HA -0.100 nan 4.420 nan 0.000 0.218 207 P C 0.856 178.156 177.300 -0.000 0.000 1.149 207 P CA 1.326 64.429 63.100 0.006 0.000 0.817 207 P CB 0.024 31.665 31.700 -0.098 0.000 0.785 208 W N 0.917 122.217 121.300 0.000 0.000 2.418 208 W HA 0.091 4.748 4.660 -0.004 0.000 0.292 208 W C 1.262 177.772 176.519 -0.015 0.000 1.213 208 W CA 0.737 58.080 57.345 -0.004 0.000 1.283 208 W CB -0.227 29.233 29.460 0.000 0.000 1.119 208 W HN -0.091 nan 8.180 nan 0.000 0.542 209 K N -0.736 119.793 120.400 0.216 0.000 2.565 209 K HA 0.182 4.499 4.320 -0.005 0.000 0.251 209 K C 0.380 177.014 176.600 0.057 0.000 0.956 209 K CA -0.205 56.143 56.287 0.101 0.000 0.809 209 K CB 1.542 34.085 32.500 0.073 0.000 1.267 209 K HN -0.344 nan 8.250 nan 0.000 0.438 210 S N 0.284 116.000 115.700 0.027 0.000 2.461 210 S HA -0.116 4.351 4.470 -0.005 0.000 0.228 210 S C 1.477 176.076 174.600 -0.003 0.000 1.005 210 S CA 1.257 59.463 58.200 0.009 0.000 0.942 210 S CB 0.005 63.203 63.200 -0.002 0.000 0.776 210 S HN 0.750 nan 8.310 nan 0.000 0.514 211 S N 0.686 116.380 115.700 -0.009 0.000 2.489 211 S HA 0.140 4.607 4.470 -0.005 0.000 0.228 211 S C 0.670 175.247 174.600 -0.039 0.000 0.995 211 S CA 0.240 58.425 58.200 -0.024 0.000 0.934 211 S CB -0.037 63.147 63.200 -0.027 0.000 0.771 211 S HN 0.098 nan 8.310 nan 0.000 0.522 212 K N 2.396 122.773 120.400 -0.037 0.000 2.118 212 K HA 0.411 4.728 4.320 -0.005 0.000 0.264 212 K C 0.149 176.719 176.600 -0.050 0.000 1.000 212 K CA -0.281 55.963 56.287 -0.072 0.000 0.929 212 K CB 1.290 33.734 32.500 -0.093 0.000 1.021 212 K HN 0.240 nan 8.250 nan 0.000 0.463 213 S N 2.063 117.713 115.700 -0.083 0.000 2.576 213 S HA 0.146 4.613 4.470 -0.005 0.000 0.276 213 S C -1.512 173.136 174.600 0.080 0.000 1.339 213 S CA -1.051 57.140 58.200 -0.014 0.000 1.039 213 S CB 0.439 63.622 63.200 -0.028 0.000 0.902 213 S HN 0.340 nan 8.310 nan 0.000 0.516 214 P HA 0.260 nan 4.420 nan 0.000 0.245 214 P C 0.762 178.255 177.300 0.322 0.000 1.206 214 P CA 0.767 63.992 63.100 0.208 0.000 0.781 214 P CB -0.486 31.297 31.700 0.139 0.000 0.994 215 G N -1.141 107.900 108.800 0.401 0.000 2.549 215 G HA2 0.332 4.289 3.960 -0.005 0.000 0.404 215 G HA3 0.332 4.289 3.960 -0.005 0.000 0.404 215 G C -0.667 174.358 174.900 0.207 0.000 1.292 215 G CA -0.573 44.752 45.100 0.375 0.000 0.935 215 G HN 0.509 nan 8.290 nan 0.000 0.512 216 G N -2.272 106.641 108.800 0.188 0.000 2.498 216 G HA2 0.678 4.635 3.960 -0.005 0.000 0.301 216 G HA3 0.678 4.635 3.960 -0.005 0.000 0.301 216 G C 0.404 175.438 174.900 0.224 0.000 1.577 216 G CA 0.837 46.040 45.100 0.171 0.000 0.868 216 G HN 2.064 nan 8.290 nan 0.000 0.599 217 S N -0.679 115.128 115.700 0.177 0.000 2.517 217 S HA 0.107 4.574 4.470 -0.005 0.000 0.214 217 S C 1.307 175.972 174.600 0.109 0.000 0.991 217 S CA 0.657 58.936 58.200 0.131 0.000 0.906 217 S CB 0.341 63.612 63.200 0.118 0.000 0.789 217 S HN 0.643 nan 8.310 nan 0.000 0.513 218 S N 2.209 117.977 115.700 0.115 0.000 3.544 218 S HA 0.345 4.812 4.470 -0.005 0.000 0.227 218 S C 1.381 176.037 174.600 0.092 0.000 1.387 218 S CA -0.024 58.237 58.200 0.102 0.000 1.182 218 S CB -0.223 63.044 63.200 0.111 0.000 1.243 218 S HN 0.671 nan 8.310 nan 0.000 0.467 219 G N 1.831 110.684 108.800 0.089 0.000 2.426 219 G HA2 0.071 4.028 3.960 -0.005 0.000 0.214 219 G HA3 0.071 4.028 3.960 -0.005 0.000 0.214 219 G C 1.372 176.314 174.900 0.070 0.000 1.156 219 G CA 0.316 45.474 45.100 0.096 0.000 0.802 219 G HN 0.604 nan 8.290 nan 0.000 0.534 220 G N 0.812 109.633 108.800 0.035 0.000 2.469 220 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.219 220 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.219 220 G C 1.586 176.489 174.900 0.005 0.000 1.150 220 G CA 1.441 46.542 45.100 0.000 0.000 0.763 220 G HN 0.444 nan 8.290 nan 0.000 0.561 221 E N 0.487 120.699 120.200 0.020 0.000 2.038 221 E HA -0.016 4.331 4.350 -0.005 0.000 0.195 221 E C 2.708 179.335 176.600 0.044 0.000 1.000 221 E CA 1.507 57.920 56.400 0.022 0.000 0.803 221 E CB -0.908 28.816 29.700 0.040 0.000 0.750 221 E HN 0.253 nan 8.360 nan 0.000 0.448 222 G N -0.007 108.837 108.800 0.073 0.000 2.402 222 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.216 222 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.216 222 G C 1.687 176.655 174.900 0.114 0.000 1.162 222 G CA 1.019 46.180 45.100 0.102 0.000 0.777 222 G HN 0.430 nan 8.290 nan 0.000 0.539 223 A N 0.264 123.142 122.820 0.098 0.000 1.933 223 A HA 0.062 4.379 4.320 -0.005 0.000 0.218 223 A C 2.320 179.934 177.584 0.050 0.000 1.175 223 A CA 1.652 53.739 52.037 0.084 0.000 0.628 223 A CB -0.356 18.678 19.000 0.058 0.000 0.814 223 A HN 0.406 nan 8.150 nan 0.000 0.444 224 L N -0.349 120.894 121.223 0.033 0.000 2.095 224 L HA 0.048 4.385 4.340 -0.005 0.000 0.204 224 L C 2.162 179.063 176.870 0.053 0.000 1.080 224 L CA 1.479 56.333 54.840 0.025 0.000 0.759 224 L CB -0.436 41.619 42.059 -0.006 0.000 0.914 224 L HN 0.420 nan 8.230 nan 0.000 0.439 225 I N -0.439 120.165 120.570 0.057 0.000 2.233 225 I HA -0.040 4.127 4.170 -0.005 0.000 0.243 225 I C 1.490 177.655 176.117 0.080 0.000 1.093 225 I CA 0.601 61.940 61.300 0.064 0.000 1.380 225 I CB -0.967 37.063 38.000 0.050 0.000 1.067 225 I HN 0.327 nan 8.210 nan 0.000 0.413 226 G N 0.074 108.936 108.800 0.103 0.000 2.630 226 G HA2 0.164 4.121 3.960 -0.005 0.000 0.236 226 G HA3 0.164 4.121 3.960 -0.005 0.000 0.236 226 G C 0.949 175.856 174.900 0.013 0.000 1.248 226 G CA 0.495 45.659 45.100 0.107 0.000 0.844 226 G HN 0.579 nan 8.290 nan 0.000 0.588 227 S N -0.771 114.869 115.700 -0.100 0.000 2.749 227 S HA -0.181 4.286 4.470 -0.005 0.000 0.265 227 S C 2.030 176.606 174.600 -0.040 0.000 1.307 227 S CA 1.757 59.882 58.200 -0.126 0.000 1.452 227 S CB -1.607 61.518 63.200 -0.124 0.000 1.834 227 S HN 3.026 nan 8.310 nan 0.000 0.691 228 G N 0.201 109.018 108.800 0.028 0.000 2.165 228 G HA2 0.169 4.126 3.960 -0.005 0.000 0.226 228 G HA3 0.169 4.126 3.960 -0.005 0.000 0.226 228 G C 0.928 175.944 174.900 0.194 0.000 1.035 228 G CA 0.631 45.791 45.100 0.099 0.000 0.744 228 G HN 1.889 nan 8.290 nan 0.000 0.501 229 G N -0.964 107.945 108.800 0.181 0.000 3.088 229 G HA2 0.500 4.457 3.960 -0.005 0.000 0.217 229 G HA3 0.500 4.457 3.960 -0.005 0.000 0.217 229 G C 0.428 175.549 174.900 0.367 0.000 1.159 229 G CA 1.259 46.516 45.100 0.261 0.000 0.760 229 G HN 1.423 nan 8.290 nan 0.000 0.550 230 S N -0.315 115.518 115.700 0.221 0.000 2.536 230 S HA 0.571 5.038 4.470 -0.005 0.000 0.271 230 S C -2.160 172.340 174.600 -0.166 0.000 1.134 230 S CA -1.098 57.110 58.200 0.014 0.000 0.897 230 S CB 2.511 65.786 63.200 0.124 0.000 1.094 230 S HN -0.095 nan 8.310 nan 0.000 0.473 231 P HA 0.222 nan 4.420 nan 0.000 0.224 231 P C -0.176 177.038 177.300 -0.143 0.000 1.157 231 P CA 0.309 63.227 63.100 -0.303 0.000 0.799 231 P CB 0.128 31.550 31.700 -0.463 0.000 0.809 232 L N -1.192 119.954 121.223 -0.129 0.000 2.549 232 L HA 0.766 5.103 4.340 -0.005 0.000 0.259 232 L C -1.146 175.688 176.870 -0.061 0.000 0.934 232 L CA -0.541 54.248 54.840 -0.084 0.000 0.865 232 L CB 1.926 43.926 42.059 -0.099 0.000 1.352 232 L HN -0.008 nan 8.230 nan 0.000 0.410 233 G N 3.128 111.892 108.800 -0.060 0.000 2.660 233 G HA2 0.657 4.615 3.960 -0.005 0.000 0.294 233 G HA3 0.657 4.615 3.960 -0.005 0.000 0.294 233 G C -2.363 172.470 174.900 -0.111 0.000 1.369 233 G CA -0.649 44.405 45.100 -0.077 0.000 0.912 233 G HN 0.496 nan 8.290 nan 0.000 0.479 234 L N 0.886 121.984 121.223 -0.208 0.000 2.313 234 L HA 0.794 5.131 4.340 -0.005 0.000 0.283 234 L C 0.729 177.548 176.870 -0.086 0.000 1.013 234 L CA -0.190 54.482 54.840 -0.280 0.000 0.816 234 L CB 1.544 43.149 42.059 -0.757 0.000 1.236 234 L HN 0.783 nan 8.230 nan 0.000 0.419 235 G N 0.989 109.886 108.800 0.162 0.000 2.788 235 G HA2 0.764 4.721 3.960 -0.005 0.000 0.293 235 G HA3 0.764 4.721 3.960 -0.005 0.000 0.293 235 G C -0.871 174.260 174.900 0.386 0.000 1.305 235 G CA -0.193 45.092 45.100 0.309 0.000 1.005 235 G HN 0.575 nan 8.290 nan 0.000 0.496 236 T N -2.228 112.460 114.554 0.223 0.000 2.926 236 T HA 0.710 5.057 4.350 -0.005 0.000 0.289 236 T C -1.542 173.200 174.700 0.070 0.000 1.054 236 T CA -0.783 61.374 62.100 0.095 0.000 1.015 236 T CB 2.634 71.477 68.868 -0.041 0.000 1.167 236 T HN 0.456 nan 8.240 nan 0.000 0.526 237 D N 0.221 120.645 120.400 0.041 0.000 2.300 237 D HA 0.186 4.823 4.640 -0.005 0.000 0.218 237 D C -0.515 175.792 176.300 0.011 0.000 1.326 237 D CA -0.373 53.644 54.000 0.029 0.000 0.942 237 D CB 1.440 42.253 40.800 0.020 0.000 1.495 237 D HN 0.628 nan 8.370 nan 0.000 0.545 238 I N 1.667 122.241 120.570 0.006 0.000 4.057 238 I HA 0.304 4.471 4.170 -0.005 0.000 0.334 238 I C 1.220 177.315 176.117 -0.037 0.000 1.308 238 I CA 0.337 61.626 61.300 -0.017 0.000 1.125 238 I CB 0.675 38.662 38.000 -0.022 0.000 1.034 238 I HN 0.450 nan 8.210 nan 0.000 0.401 239 G N -0.717 108.073 108.800 -0.017 0.000 3.584 239 G HA2 0.313 4.270 3.960 -0.005 0.000 0.201 239 G HA3 0.313 4.270 3.960 -0.005 0.000 0.201 239 G C 0.787 175.665 174.900 -0.038 0.000 1.176 239 G CA 0.521 45.608 45.100 -0.022 0.000 0.902 239 G HN 0.336 nan 8.290 nan 0.000 0.678 240 G N 0.102 108.860 108.800 -0.070 0.000 2.407 240 G HA2 -0.096 3.862 3.960 -0.005 0.000 0.210 240 G HA3 -0.096 3.862 3.960 -0.005 0.000 0.210 240 G C 0.873 175.706 174.900 -0.112 0.000 1.015 240 G CA 0.622 45.538 45.100 -0.307 0.000 0.807 240 G HN 0.291 nan 8.290 nan 0.000 0.539 241 S N -0.223 115.514 115.700 0.063 0.000 2.522 241 S HA 0.187 4.654 4.470 -0.005 0.000 0.227 241 S C 2.191 176.842 174.600 0.085 0.000 0.986 241 S CA 0.950 59.233 58.200 0.139 0.000 0.929 241 S CB -0.036 63.238 63.200 0.123 0.000 0.769 241 S HN 0.520 nan 8.310 nan 0.000 0.529 242 I N 0.502 121.088 120.570 0.026 0.000 2.585 242 I HA 0.031 4.198 4.170 -0.005 0.000 0.254 242 I C 2.318 178.411 176.117 -0.040 0.000 1.129 242 I CA 0.705 62.014 61.300 0.016 0.000 1.455 242 I CB -0.031 37.982 38.000 0.022 0.000 1.111 242 I HN 0.078 nan 8.210 nan 0.000 0.433 243 R N -0.239 120.180 120.500 -0.136 0.000 2.200 243 R HA 0.028 4.365 4.340 -0.005 0.000 0.208 243 R C 2.015 178.135 176.300 -0.300 0.000 1.033 243 R CA 0.878 56.844 56.100 -0.223 0.000 1.000 243 R CB -0.100 30.022 30.300 -0.296 0.000 0.906 243 R HN 0.158 nan 8.270 nan 0.000 0.462 244 F N 0.980 120.773 119.950 -0.262 0.000 2.084 244 F HA -0.006 4.518 4.527 -0.006 0.000 0.296 244 F C -0.682 174.823 175.800 -0.492 0.000 1.111 244 F CA 0.625 58.299 58.000 -0.544 0.000 1.224 244 F CB -1.229 37.470 39.000 -0.501 0.000 0.991 244 F HN -0.041 nan 8.300 nan 0.000 0.471 245 P HA -0.012 nan 4.420 nan 0.000 0.225 245 P C 1.511 178.872 177.300 0.102 0.000 1.156 245 P CA 1.320 64.480 63.100 0.101 0.000 0.787 245 P CB 0.022 31.792 31.700 0.117 0.000 0.802 246 S N 0.078 115.802 115.700 0.040 0.000 2.371 246 S HA -0.066 4.401 4.470 -0.005 0.000 0.224 246 S C 2.089 176.716 174.600 0.046 0.000 1.029 246 S CA 1.301 59.526 58.200 0.042 0.000 0.978 246 S CB -1.039 62.163 63.200 0.004 0.000 0.833 246 S HN 0.141 nan 8.310 nan 0.000 0.466 247 A N 1.166 123.990 122.820 0.006 0.000 1.930 247 A HA 0.021 4.338 4.320 -0.005 0.000 0.217 247 A C 1.746 179.471 177.584 0.234 0.000 1.175 247 A CA 1.159 53.231 52.037 0.058 0.000 0.627 247 A CB -0.653 18.350 19.000 0.004 0.000 0.815 247 A HN 0.445 nan 8.150 nan 0.000 0.443 248 F N -0.713 119.272 119.950 0.059 0.000 2.367 248 F HA -0.034 4.490 4.527 -0.006 0.000 0.298 248 F C 2.044 177.841 175.800 -0.004 0.000 1.094 248 F CA -0.123 57.897 58.000 0.033 0.000 1.409 248 F CB -0.999 38.062 39.000 0.101 0.000 1.064 248 F HN 0.238 nan 8.300 nan 0.000 0.528 249 C N -0.742 118.709 119.300 0.251 0.000 3.104 249 C HA 0.567 5.024 4.460 -0.005 0.000 0.284 249 C C 1.628 176.831 174.990 0.354 0.000 1.326 249 C CA 0.051 59.263 59.018 0.323 0.000 1.725 249 C CB -0.575 27.363 27.740 0.329 0.000 2.156 249 C HN 0.665 nan 8.230 nan 0.000 0.638 250 G N 2.214 111.103 108.800 0.148 0.000 2.212 250 G HA2 -0.223 3.734 3.960 -0.005 0.000 0.255 250 G HA3 -0.223 3.734 3.960 -0.005 0.000 0.255 250 G C -0.199 174.798 174.900 0.162 0.000 1.062 250 G CA 0.675 45.845 45.100 0.117 0.000 0.815 250 G HN 0.741 nan 8.290 nan 0.000 0.497 251 I N -3.608 117.036 120.570 0.125 0.000 3.436 251 I HA 0.876 5.043 4.170 -0.005 0.000 0.296 251 I C 0.587 176.734 176.117 0.049 0.000 1.143 251 I CA -1.667 59.691 61.300 0.096 0.000 1.009 251 I CB 1.469 39.531 38.000 0.102 0.000 1.301 251 I HN 0.050 nan 8.210 nan 0.000 0.503 252 C N 1.001 120.322 119.300 0.035 0.000 2.366 252 C HA 0.948 5.405 4.460 -0.005 0.000 0.345 252 C C 0.484 175.478 174.990 0.007 0.000 1.209 252 C CA -0.051 58.974 59.018 0.012 0.000 2.050 252 C CB 0.262 28.007 27.740 0.008 0.000 2.359 252 C HN 1.028 nan 8.230 nan 0.000 0.527 253 G N 0.980 109.778 108.800 -0.004 0.000 2.698 253 G HA2 0.669 4.626 3.960 -0.005 0.000 0.293 253 G HA3 0.669 4.626 3.960 -0.005 0.000 0.293 253 G C -2.059 172.836 174.900 -0.008 0.000 1.437 253 G CA -0.424 44.674 45.100 -0.004 0.000 0.852 253 G HN 0.880 nan 8.290 nan 0.000 0.499 254 L N -0.110 121.114 121.223 0.002 0.000 2.464 254 L HA 0.764 5.101 4.340 -0.005 0.000 0.266 254 L C -0.594 176.289 176.870 0.021 0.000 0.965 254 L CA -0.824 54.022 54.840 0.010 0.000 0.833 254 L CB 2.167 44.238 42.059 0.020 0.000 1.296 254 L HN 0.461 nan 8.230 nan 0.000 0.405 255 K N 6.308 126.719 120.400 0.017 0.000 2.268 255 K HA 0.530 4.847 4.320 -0.005 0.000 0.276 255 K C -2.571 174.050 176.600 0.036 0.000 1.080 255 K CA -1.727 54.577 56.287 0.028 0.000 0.910 255 K CB 1.108 33.616 32.500 0.014 0.000 1.163 255 K HN 0.429 nan 8.250 nan 0.000 0.465 256 P HA 0.075 nan 4.420 nan 0.000 0.275 256 P C -0.717 176.582 177.300 -0.001 0.000 1.266 256 P CA -0.389 62.737 63.100 0.043 0.000 0.793 256 P CB 0.384 32.133 31.700 0.081 0.000 1.074 257 T N 0.468 114.977 114.554 -0.075 0.000 2.934 257 T HA 0.096 4.443 4.350 -0.005 0.000 0.306 257 T C 1.864 176.479 174.700 -0.142 0.000 1.042 257 T CA 0.749 62.707 62.100 -0.235 0.000 1.145 257 T CB 0.043 68.502 68.868 -0.682 0.000 0.982 257 T HN 0.580 nan 8.240 nan 0.000 0.544 258 G N 1.821 110.549 108.800 -0.119 0.000 2.470 258 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.220 258 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.220 258 G C 1.062 175.996 174.900 0.057 0.000 1.121 258 G CA 0.249 45.341 45.100 -0.014 0.000 0.766 258 G HN 0.788 nan 8.290 nan 0.000 0.553 259 N N -0.700 118.053 118.700 0.089 0.000 2.279 259 N HA 0.110 4.847 4.740 -0.005 0.000 0.226 259 N C 1.837 177.599 175.510 0.420 0.000 1.126 259 N CA -0.407 52.804 53.050 0.268 0.000 0.846 259 N CB 0.121 38.833 38.487 0.374 0.000 1.050 259 N HN 0.015 nan 8.380 nan 0.000 0.502 260 R N 0.055 120.762 120.500 0.345 0.000 2.119 260 R HA 0.217 4.554 4.340 -0.005 0.000 0.222 260 R C 0.164 176.641 176.300 0.294 0.000 1.088 260 R CA 1.054 57.383 56.100 0.382 0.000 0.984 260 R CB 0.153 30.637 30.300 0.307 0.000 0.884 260 R HN 0.163 nan 8.270 nan 0.000 0.447 261 L N -0.828 120.529 121.223 0.223 0.000 2.303 261 L HA 0.414 4.751 4.340 -0.005 0.000 0.266 261 L C -0.068 176.904 176.870 0.170 0.000 1.011 261 L CA -1.119 53.836 54.840 0.191 0.000 0.818 261 L CB 1.797 43.953 42.059 0.161 0.000 1.326 261 L HN -0.069 nan 8.230 nan 0.000 0.435 262 S N 0.239 116.030 115.700 0.152 0.000 2.565 262 S HA 0.242 4.709 4.470 -0.005 0.000 0.274 262 S C -0.018 174.647 174.600 0.108 0.000 1.309 262 S CA -0.472 57.803 58.200 0.126 0.000 1.043 262 S CB 0.512 63.780 63.200 0.112 0.000 0.939 262 S HN 0.631 nan 8.310 nan 0.000 0.504 263 K N 3.037 123.486 120.400 0.081 0.000 2.861 263 K HA 0.303 4.620 4.320 -0.005 0.000 0.210 263 K C 1.051 177.674 176.600 0.039 0.000 1.112 263 K CA -0.320 55.996 56.287 0.048 0.000 1.076 263 K CB 0.430 32.950 32.500 0.032 0.000 0.853 263 K HN 0.392 nan 8.250 nan 0.000 0.463 264 S N 0.720 116.450 115.700 0.049 0.000 2.382 264 S HA -0.072 4.395 4.470 -0.005 0.000 0.228 264 S C 1.479 176.090 174.600 0.017 0.000 1.027 264 S CA 1.398 59.617 58.200 0.033 0.000 0.991 264 S CB -0.043 63.182 63.200 0.041 0.000 0.823 264 S HN 0.655 nan 8.310 nan 0.000 0.469 265 G N 0.517 109.336 108.800 0.031 0.000 4.044 265 G HA2 0.443 4.401 3.960 -0.005 0.000 0.297 265 G HA3 0.443 4.401 3.960 -0.005 0.000 0.297 265 G C -0.331 174.588 174.900 0.033 0.000 1.101 265 G CA -0.377 44.741 45.100 0.030 0.000 0.884 265 G HN 0.310 nan 8.290 nan 0.000 0.538 266 L N 0.309 121.537 121.223 0.009 0.000 2.418 266 L HA 0.508 4.845 4.340 -0.005 0.000 0.265 266 L C 0.305 177.206 176.870 0.051 0.000 1.143 266 L CA -0.257 54.559 54.840 -0.040 0.000 0.809 266 L CB 1.280 43.281 42.059 -0.098 0.000 1.124 266 L HN -0.035 nan 8.230 nan 0.000 0.456 267 K N 1.084 121.495 120.400 0.017 0.000 2.265 267 K HA 0.654 4.971 4.320 -0.005 0.000 0.267 267 K C -0.429 176.192 176.600 0.036 0.000 0.994 267 K CA -0.284 56.064 56.287 0.102 0.000 0.860 267 K CB 1.155 33.693 32.500 0.063 0.000 1.099 267 K HN 0.734 nan 8.250 nan 0.000 0.448 268 G N 0.855 109.671 108.800 0.026 0.000 2.600 268 G HA2 0.310 4.267 3.960 -0.005 0.000 0.303 268 G HA3 0.310 4.267 3.960 -0.005 0.000 0.303 268 G C 0.336 174.923 174.900 -0.522 0.000 1.253 268 G CA -0.794 44.159 45.100 -0.245 0.000 0.974 268 G HN 0.881 nan 8.290 nan 0.000 0.483 269 C N -0.961 118.124 119.300 -0.360 0.000 2.906 269 C HA 0.557 5.014 4.460 -0.005 0.000 0.274 269 C C 0.624 175.427 174.990 -0.312 0.000 1.257 269 C CA -0.441 58.372 59.018 -0.343 0.000 1.695 269 C CB -0.998 26.607 27.740 -0.224 0.000 1.958 269 C HN 0.613 nan 8.230 nan 0.000 0.619 270 V N 1.310 121.043 119.914 -0.302 0.000 2.577 270 V HA 0.698 4.815 4.120 -0.005 0.000 0.303 270 V C -1.902 174.060 176.094 -0.221 0.000 1.042 270 V CA -0.409 61.788 62.300 -0.173 0.000 0.872 270 V CB 1.455 33.328 31.823 0.083 0.000 0.998 270 V HN 0.362 nan 8.190 nan 0.000 0.423 271 Y N 4.444 124.783 120.300 0.065 0.000 2.409 271 Y HA 0.813 5.360 4.550 -0.005 0.000 0.339 271 Y C 1.195 177.126 175.900 0.052 0.000 1.033 271 Y CA -0.101 58.029 58.100 0.049 0.000 1.094 271 Y CB 2.359 40.842 38.460 0.037 0.000 1.210 271 Y HN 1.041 nan 8.280 nan 0.000 0.456 272 G N 1.016 109.951 108.800 0.224 0.000 2.179 272 G HA2 -0.220 3.737 3.960 -0.005 0.000 0.220 272 G HA3 -0.220 3.737 3.960 -0.005 0.000 0.220 272 G C 0.030 174.997 174.900 0.112 0.000 0.990 272 G CA -0.588 44.600 45.100 0.147 0.000 0.646 272 G HN 0.483 nan 8.290 nan 0.000 0.517 273 Q N 1.609 121.470 119.800 0.101 0.000 2.300 273 Q HA 0.371 4.708 4.340 -0.005 0.000 0.262 273 Q C 1.632 177.666 176.000 0.058 0.000 1.109 273 Q CA 1.072 56.917 55.803 0.069 0.000 0.905 273 Q CB 0.777 29.545 28.738 0.049 0.000 1.280 273 Q HN 0.593 nan 8.270 nan 0.000 0.426 274 T N -0.537 114.052 114.554 0.058 0.000 3.014 274 T HA 0.321 4.668 4.350 -0.005 0.000 0.250 274 T C 0.676 175.396 174.700 0.033 0.000 1.060 274 T CA 0.289 62.419 62.100 0.050 0.000 1.040 274 T CB 0.377 69.281 68.868 0.060 0.000 0.971 274 T HN 0.441 nan 8.240 nan 0.000 0.497 275 A N 1.840 124.676 122.820 0.026 0.000 2.401 275 A HA 0.595 4.912 4.320 -0.005 0.000 0.259 275 A C 0.499 178.067 177.584 -0.027 0.000 1.103 275 A CA -0.284 51.754 52.037 0.002 0.000 0.789 275 A CB -0.331 18.669 19.000 -0.000 0.000 1.035 275 A HN 1.186 nan 8.150 nan 0.000 0.491 276 V N 2.511 122.398 119.914 -0.046 0.000 3.699 276 V HA -0.151 3.966 4.120 -0.005 0.000 0.464 276 V C -0.124 175.943 176.094 -0.045 0.000 0.681 276 V CA 0.461 62.720 62.300 -0.069 0.000 1.940 276 V CB -1.834 29.923 31.823 -0.110 0.000 2.368 276 V HN 0.998 nan 8.190 nan 0.000 0.496 277 Q N 2.761 122.540 119.800 -0.035 0.000 2.261 277 Q HA 0.607 4.944 4.340 -0.005 0.000 0.252 277 Q C -0.019 175.974 176.000 -0.011 0.000 0.915 277 Q CA -0.698 55.096 55.803 -0.014 0.000 0.915 277 Q CB 2.103 30.832 28.738 -0.014 0.000 1.204 277 Q HN 0.758 nan 8.270 nan 0.000 0.421 278 L N 1.664 122.890 121.223 0.004 0.000 2.350 278 L HA 0.393 4.730 4.340 -0.005 0.000 0.275 278 L C -0.816 176.065 176.870 0.019 0.000 1.099 278 L CA 0.359 55.204 54.840 0.008 0.000 0.808 278 L CB 1.200 43.266 42.059 0.012 0.000 1.149 278 L HN 0.586 nan 8.230 nan 0.000 0.442 279 S N 4.911 120.625 115.700 0.023 0.000 2.546 279 S HA 0.686 5.154 4.470 -0.005 0.000 0.272 279 S C -0.779 173.860 174.600 0.064 0.000 1.140 279 S CA -0.944 57.282 58.200 0.043 0.000 0.920 279 S CB 1.114 64.337 63.200 0.039 0.000 1.083 279 S HN 0.784 nan 8.310 nan 0.000 0.476 280 L N 0.227 121.508 121.223 0.097 0.000 2.343 280 L HA 1.066 5.403 4.340 -0.005 0.000 0.275 280 L C 0.292 177.261 176.870 0.165 0.000 1.056 280 L CA -0.443 54.502 54.840 0.174 0.000 0.804 280 L CB 0.731 42.946 42.059 0.260 0.000 1.203 280 L HN 0.946 nan 8.230 nan 0.000 0.440 281 G N 0.573 109.474 108.800 0.168 0.000 2.601 281 G HA2 0.552 4.509 3.960 -0.005 0.000 0.291 281 G HA3 0.552 4.509 3.960 -0.005 0.000 0.291 281 G C -3.290 171.646 174.900 0.060 0.000 1.456 281 G CA -0.987 44.171 45.100 0.096 0.000 0.804 281 G HN 0.498 nan 8.290 nan 0.000 0.499 282 P HA 0.307 nan 4.420 nan 0.000 0.271 282 P C -0.389 176.906 177.300 -0.008 0.000 1.218 282 P CA 0.105 63.192 63.100 -0.021 0.000 0.780 282 P CB 0.908 32.580 31.700 -0.047 0.000 0.901 283 M N 1.308 120.899 119.600 -0.015 0.000 2.535 283 M HA 0.831 5.308 4.480 -0.005 0.000 0.314 283 M C -0.373 175.920 176.300 -0.012 0.000 1.153 283 M CA -0.782 54.517 55.300 -0.002 0.000 0.924 283 M CB 2.666 35.275 32.600 0.016 0.000 1.710 283 M HN 0.404 nan 8.290 nan 0.000 0.451 284 A N 1.269 124.089 122.820 0.001 0.000 2.511 284 A HA 0.580 4.897 4.320 -0.005 0.000 0.293 284 A C -0.281 177.317 177.584 0.023 0.000 1.098 284 A CA -0.724 51.312 52.037 -0.001 0.000 0.643 284 A CB 1.354 20.343 19.000 -0.019 0.000 1.302 284 A HN 0.900 nan 8.150 nan 0.000 0.446 285 R N -0.356 120.160 120.500 0.026 0.000 2.246 285 R HA 0.083 4.420 4.340 -0.005 0.000 0.199 285 R C -0.624 175.703 176.300 0.046 0.000 0.984 285 R CA 1.520 57.649 56.100 0.048 0.000 1.015 285 R CB 0.045 30.378 30.300 0.055 0.000 0.930 285 R HN 0.850 nan 8.270 nan 0.000 0.475 286 D N -2.827 117.592 120.400 0.033 0.000 2.596 286 D HA -0.011 4.626 4.640 -0.005 0.000 0.262 286 D C 0.591 176.908 176.300 0.028 0.000 1.210 286 D CA -0.722 53.298 54.000 0.034 0.000 0.873 286 D CB 1.118 41.942 40.800 0.041 0.000 1.408 286 D HN -0.213 nan 8.370 nan 0.000 0.441 287 V N -0.120 119.817 119.914 0.039 0.000 2.667 287 V HA -0.087 4.030 4.120 -0.005 0.000 0.252 287 V C 1.510 177.636 176.094 0.053 0.000 1.065 287 V CA 1.719 64.046 62.300 0.045 0.000 1.083 287 V CB -0.722 31.138 31.823 0.061 0.000 0.692 287 V HN 0.562 nan 8.190 nan 0.000 0.468 288 E N 1.178 121.433 120.200 0.091 0.000 2.153 288 E HA -0.123 4.224 4.350 -0.005 0.000 0.194 288 E C 2.380 178.980 176.600 -0.000 0.000 0.988 288 E CA 1.757 58.220 56.400 0.105 0.000 0.811 288 E CB -0.327 29.450 29.700 0.130 0.000 0.746 288 E HN 0.727 nan 8.360 nan 0.000 0.466 289 S N 0.322 116.015 115.700 -0.011 0.000 2.383 289 S HA -0.088 4.379 4.470 -0.005 0.000 0.227 289 S C 1.875 176.423 174.600 -0.087 0.000 1.026 289 S CA 0.812 58.986 58.200 -0.044 0.000 0.981 289 S CB -0.188 62.995 63.200 -0.028 0.000 0.818 289 S HN 0.207 nan 8.310 nan 0.000 0.472 290 L N 1.140 122.312 121.223 -0.084 0.000 2.156 290 L HA 0.023 4.360 4.340 -0.005 0.000 0.208 290 L C 2.700 179.441 176.870 -0.213 0.000 1.095 290 L CA 1.011 55.784 54.840 -0.112 0.000 0.770 290 L CB -0.746 41.273 42.059 -0.065 0.000 0.914 290 L HN 0.283 nan 8.230 nan 0.000 0.439 291 A N 0.172 122.816 122.820 -0.293 0.000 1.930 291 A HA -0.111 4.206 4.320 -0.005 0.000 0.217 291 A C 2.343 179.567 177.584 -0.600 0.000 1.175 291 A CA 1.150 52.842 52.037 -0.574 0.000 0.627 291 A CB -0.540 17.975 19.000 -0.808 0.000 0.815 291 A HN 0.367 nan 8.150 nan 0.000 0.443 292 L N -0.901 120.130 121.223 -0.320 0.000 2.056 292 L HA -0.193 4.144 4.340 -0.005 0.000 0.207 292 L C 2.733 179.458 176.870 -0.241 0.000 1.078 292 L CA 1.603 56.302 54.840 -0.235 0.000 0.749 292 L CB -0.305 41.683 42.059 -0.118 0.000 0.901 292 L HN 0.620 nan 8.230 nan 0.000 0.433 293 C N -0.207 118.964 119.300 -0.215 0.000 2.446 293 C HA -0.150 4.308 4.460 -0.005 0.000 0.277 293 C C 2.700 177.576 174.990 -0.190 0.000 1.275 293 C CA 0.466 59.383 59.018 -0.168 0.000 1.727 293 C CB -0.790 26.872 27.740 -0.129 0.000 2.010 293 C HN 0.487 nan 8.230 nan 0.000 0.486 294 L N 0.512 121.574 121.223 -0.269 0.000 2.093 294 L HA -0.121 4.216 4.340 -0.005 0.000 0.208 294 L C 2.687 179.372 176.870 -0.308 0.000 1.085 294 L CA 1.811 56.501 54.840 -0.251 0.000 0.755 294 L CB -0.704 41.194 42.059 -0.268 0.000 0.904 294 L HN 0.447 nan 8.230 nan 0.000 0.435 295 K N -0.399 119.675 120.400 -0.544 0.000 2.288 295 K HA -0.089 4.228 4.320 -0.005 0.000 0.201 295 K C 1.961 178.473 176.600 -0.147 0.000 1.048 295 K CA 0.897 56.950 56.287 -0.390 0.000 0.956 295 K CB 0.160 32.349 32.500 -0.519 0.000 0.746 295 K HN 0.278 nan 8.250 nan 0.000 0.461 296 A N 0.765 123.497 122.820 -0.146 0.000 1.874 296 A HA -0.078 4.239 4.320 -0.005 0.000 0.214 296 A C 1.838 179.375 177.584 -0.078 0.000 1.189 296 A CA 0.787 52.774 52.037 -0.083 0.000 0.615 296 A CB -0.387 18.567 19.000 -0.078 0.000 0.830 296 A HN 0.208 nan 8.150 nan 0.000 0.443 297 L N -0.670 120.500 121.223 -0.088 0.000 2.083 297 L HA -0.015 4.322 4.340 -0.005 0.000 0.209 297 L C 1.052 177.848 176.870 -0.124 0.000 1.083 297 L CA 1.088 55.881 54.840 -0.078 0.000 0.752 297 L CB -0.827 41.207 42.059 -0.041 0.000 0.899 297 L HN 0.228 nan 8.230 nan 0.000 0.433 298 L N 0.405 121.581 121.223 -0.079 0.000 2.873 298 L HA 0.109 4.446 4.340 -0.005 0.000 0.236 298 L C 0.377 177.122 176.870 -0.208 0.000 1.375 298 L CA -0.254 54.561 54.840 -0.042 0.000 1.239 298 L CB -1.392 40.812 42.059 0.241 0.000 1.603 298 L HN 0.359 nan 8.230 nan 0.000 0.430 299 C N -3.756 115.236 119.300 -0.512 0.000 2.630 299 C HA 0.795 5.252 4.460 -0.005 0.000 0.346 299 C C 1.858 176.477 174.990 -0.619 0.000 1.245 299 C CA -0.161 58.648 59.018 -0.348 0.000 1.804 299 C CB 1.081 28.746 27.740 -0.126 0.000 2.279 299 C HN 0.558 nan 8.230 nan 0.000 0.498 300 E N -0.744 119.295 120.200 -0.269 0.000 2.209 300 E HA -0.191 4.156 4.350 -0.005 0.000 0.196 300 E C 1.686 178.156 176.600 -0.217 0.000 0.993 300 E CA 2.036 58.345 56.400 -0.152 0.000 0.819 300 E CB -1.066 28.562 29.700 -0.121 0.000 0.745 300 E HN 0.893 nan 8.360 nan 0.000 0.477 301 H N -0.555 118.436 119.070 -0.132 0.000 2.290 301 H HA -0.057 4.496 4.556 -0.005 0.000 0.298 301 H C 2.433 177.683 175.328 -0.130 0.000 1.087 301 H CA 1.676 57.663 56.048 -0.103 0.000 1.291 301 H CB -0.579 29.127 29.762 -0.094 0.000 1.369 301 H HN 0.409 nan 8.280 nan 0.000 0.492 302 L N 0.532 121.669 121.223 -0.144 0.000 2.131 302 L HA -0.156 4.181 4.340 -0.005 0.000 0.210 302 L C 1.740 178.538 176.870 -0.119 0.000 1.092 302 L CA 1.050 55.769 54.840 -0.202 0.000 0.759 302 L CB -0.245 41.610 42.059 -0.340 0.000 0.903 302 L HN -0.010 nan 8.230 nan 0.000 0.435 303 F N -1.490 118.484 119.950 0.039 0.000 2.615 303 F HA 0.028 4.552 4.527 -0.005 0.000 0.297 303 F C 2.318 178.126 175.800 0.014 0.000 1.124 303 F CA 0.804 58.815 58.000 0.019 0.000 1.451 303 F CB -1.455 37.546 39.000 0.002 0.000 1.103 303 F HN -0.021 nan 8.300 nan 0.000 0.569 304 T N 0.375 115.015 114.554 0.142 0.000 2.814 304 T HA 0.078 4.425 4.350 -0.005 0.000 0.254 304 T C 1.035 175.781 174.700 0.077 0.000 1.037 304 T CA 0.486 62.641 62.100 0.091 0.000 1.143 304 T CB -0.438 68.467 68.868 0.060 0.000 0.866 304 T HN -0.046 nan 8.240 nan 0.000 0.431 305 L N 3.199 124.463 121.223 0.068 0.000 2.454 305 L HA 0.252 4.589 4.340 -0.005 0.000 0.284 305 L C -0.345 176.565 176.870 0.067 0.000 1.139 305 L CA -0.184 54.689 54.840 0.055 0.000 0.911 305 L CB -0.404 41.679 42.059 0.042 0.000 1.262 305 L HN 0.246 nan 8.230 nan 0.000 0.453 306 D N 3.115 123.556 120.400 0.069 0.000 3.639 306 D HA -0.090 4.547 4.640 -0.005 0.000 0.253 306 D C -1.695 174.674 176.300 0.115 0.000 1.049 306 D CA -0.106 53.945 54.000 0.084 0.000 1.059 306 D CB 0.263 41.116 40.800 0.088 0.000 0.953 306 D HN 0.309 nan 8.370 nan 0.000 0.420 307 P HA -0.112 nan 4.420 nan 0.000 0.239 307 P C 1.385 178.723 177.300 0.062 0.000 1.184 307 P CA 1.245 64.395 63.100 0.083 0.000 0.760 307 P CB -0.100 31.632 31.700 0.052 0.000 0.884 308 T N -2.876 111.719 114.554 0.068 0.000 2.904 308 T HA -0.012 4.335 4.350 -0.005 0.000 0.267 308 T C 0.972 175.714 174.700 0.070 0.000 1.059 308 T CA 0.264 62.399 62.100 0.058 0.000 1.137 308 T CB -1.190 67.715 68.868 0.061 0.000 0.879 308 T HN -0.141 nan 8.240 nan 0.000 0.467 309 V N 5.265 125.246 119.914 0.113 0.000 2.485 309 V HA 0.221 4.338 4.120 -0.005 0.000 0.287 309 V C -1.946 174.167 176.094 0.032 0.000 1.022 309 V CA -1.824 60.562 62.300 0.144 0.000 1.067 309 V CB -0.082 31.898 31.823 0.262 0.000 0.967 309 V HN 0.422 nan 8.190 nan 0.000 0.479 310 P HA 0.205 nan 4.420 nan 0.000 0.271 310 P C -2.647 174.340 177.300 -0.522 0.000 1.220 310 P CA -1.751 61.183 63.100 -0.277 0.000 0.768 310 P CB 0.245 31.717 31.700 -0.381 0.000 0.848 311 P HA 0.237 nan 4.420 nan 0.000 0.230 311 P C -0.448 176.274 177.300 -0.964 0.000 1.791 311 P CA 0.168 62.318 63.100 -1.583 0.000 1.020 311 P CB -0.205 30.927 31.700 -0.947 0.000 1.977 312 L N 4.305 125.137 121.223 -0.652 0.000 2.255 312 L HA 0.376 4.713 4.340 -0.005 0.000 0.289 312 L C -1.763 175.124 176.870 0.028 0.000 1.046 312 L CA -2.147 52.546 54.840 -0.246 0.000 0.816 312 L CB 0.956 42.912 42.059 -0.172 0.000 1.197 312 L HN 0.076 nan 8.230 nan 0.000 0.427 313 P HA 0.010 nan 4.420 nan 0.000 0.274 313 P C -0.582 176.859 177.300 0.235 0.000 1.237 313 P CA -0.426 62.827 63.100 0.255 0.000 0.793 313 P CB 0.709 32.517 31.700 0.180 0.000 0.977 314 F N 2.544 122.566 119.950 0.121 0.000 2.538 314 F HA 0.130 4.654 4.527 -0.005 0.000 0.371 314 F C 0.967 176.815 175.800 0.079 0.000 1.087 314 F CA 0.087 58.139 58.000 0.087 0.000 1.250 314 F CB 0.445 39.481 39.000 0.060 0.000 1.110 314 F HN 0.146 nan 8.300 nan 0.000 0.570 315 R N 5.354 125.549 120.500 -0.508 0.000 2.278 315 R HA 0.073 4.410 4.340 -0.005 0.000 0.322 315 R C 0.764 176.837 176.300 -0.379 0.000 1.058 315 R CA -0.336 55.583 56.100 -0.302 0.000 0.991 315 R CB 0.991 31.165 30.300 -0.209 0.000 1.140 315 R HN 0.734 nan 8.270 nan 0.000 0.518 316 E N 2.517 122.659 120.200 -0.096 0.000 2.110 316 E HA -0.225 4.122 4.350 -0.005 0.000 0.193 316 E C 1.675 178.300 176.600 0.042 0.000 0.988 316 E CA 1.585 58.031 56.400 0.076 0.000 0.804 316 E CB 0.343 30.156 29.700 0.189 0.000 0.745 316 E HN 0.550 nan 8.360 nan 0.000 0.458 317 E N 0.094 120.292 120.200 -0.003 0.000 2.153 317 E HA -0.152 4.195 4.350 -0.005 0.000 0.194 317 E C 2.008 178.595 176.600 -0.022 0.000 0.988 317 E CA 1.261 57.656 56.400 -0.008 0.000 0.811 317 E CB -0.359 29.335 29.700 -0.011 0.000 0.746 317 E HN 0.268 nan 8.360 nan 0.000 0.466 318 V N 0.349 120.237 119.914 -0.044 0.000 2.446 318 V HA -0.168 3.949 4.120 -0.005 0.000 0.244 318 V C 2.189 178.289 176.094 0.011 0.000 1.039 318 V CA 1.388 63.669 62.300 -0.032 0.000 1.045 318 V CB -0.744 31.043 31.823 -0.060 0.000 0.681 318 V HN 0.240 nan 8.190 nan 0.000 0.459 319 Y N 1.284 121.521 120.300 -0.105 0.000 2.314 319 Y HA -0.060 4.487 4.550 -0.005 0.000 0.293 319 Y C 2.489 178.420 175.900 0.051 0.000 1.129 319 Y CA 1.371 59.468 58.100 -0.005 0.000 1.201 319 Y CB -0.058 38.432 38.460 0.050 0.000 0.999 319 Y HN 0.027 nan 8.280 nan 0.000 0.541 320 R N 0.372 120.774 120.500 -0.163 0.000 2.240 320 R HA 0.026 4.363 4.340 -0.005 0.000 0.203 320 R C 1.192 177.417 176.300 -0.125 0.000 1.011 320 R CA 0.673 56.660 56.100 -0.189 0.000 1.007 320 R CB -0.531 29.739 30.300 -0.049 0.000 0.911 320 R HN 0.288 nan 8.270 nan 0.000 0.468 321 S N 0.694 116.347 115.700 -0.079 0.000 2.573 321 S HA 0.021 4.488 4.470 -0.005 0.000 0.277 321 S C 0.789 175.371 174.600 -0.029 0.000 1.346 321 S CA -0.087 58.090 58.200 -0.039 0.000 1.034 321 S CB 0.804 63.994 63.200 -0.017 0.000 0.879 321 S HN 0.276 nan 8.310 nan 0.000 0.528 322 S N 1.030 116.723 115.700 -0.010 0.000 2.937 322 S HA 0.335 4.802 4.470 -0.005 0.000 0.252 322 S C 0.591 175.199 174.600 0.013 0.000 1.022 322 S CA -0.143 58.062 58.200 0.008 0.000 1.079 322 S CB -0.216 62.980 63.200 -0.006 0.000 1.035 322 S HN 1.078 nan 8.310 nan 0.000 0.594 323 R N 3.316 123.822 120.500 0.010 0.000 2.484 323 R HA 0.469 4.806 4.340 -0.005 0.000 0.293 323 R C -2.670 173.643 176.300 0.021 0.000 1.023 323 R CA -1.061 55.039 56.100 0.001 0.000 1.037 323 R CB -1.487 28.813 30.300 0.001 0.000 0.951 323 R HN 0.371 nan 8.270 nan 0.000 0.418 324 P HA 0.221 nan 4.420 nan 0.000 0.271 324 P C -0.829 176.502 177.300 0.051 0.000 1.220 324 P CA -0.165 62.867 63.100 -0.113 0.000 0.768 324 P CB 0.611 32.147 31.700 -0.272 0.000 0.848 325 L N 3.526 124.914 121.223 0.275 0.000 2.375 325 L HA 0.500 4.837 4.340 -0.005 0.000 0.268 325 L C 1.160 178.056 176.870 0.044 0.000 1.058 325 L CA -0.959 53.950 54.840 0.115 0.000 0.803 325 L CB 0.726 42.809 42.059 0.040 0.000 1.212 325 L HN 0.180 nan 8.230 nan 0.000 0.451 326 R N 1.327 121.795 120.500 -0.052 0.000 2.391 326 R HA 0.345 4.683 4.340 -0.005 0.000 0.310 326 R C -1.135 175.036 176.300 -0.215 0.000 1.174 326 R CA -0.523 55.515 56.100 -0.102 0.000 1.118 326 R CB 0.271 30.506 30.300 -0.108 0.000 1.134 326 R HN 0.302 nan 8.270 nan 0.000 0.524 327 V N 2.498 122.284 119.914 -0.213 0.000 2.455 327 V HA 0.195 4.312 4.120 -0.005 0.000 0.273 327 V C 1.214 177.187 176.094 -0.203 0.000 1.045 327 V CA -0.522 61.584 62.300 -0.322 0.000 0.976 327 V CB 1.090 32.743 31.823 -0.283 0.000 0.993 327 V HN 0.829 nan 8.190 nan 0.000 0.475 328 G N 4.282 112.886 108.800 -0.326 0.000 2.467 328 G HA2 0.471 4.428 3.960 -0.005 0.000 0.257 328 G HA3 0.471 4.428 3.960 -0.005 0.000 0.257 328 G C -0.917 174.040 174.900 0.096 0.000 1.227 328 G CA -0.185 44.818 45.100 -0.162 0.000 0.835 328 G HN 0.975 nan 8.290 nan 0.000 0.556 329 Y N 0.434 120.775 120.300 0.068 0.000 2.571 329 Y HA 0.708 5.254 4.550 -0.005 0.000 0.341 329 Y C -1.407 174.629 175.900 0.227 0.000 1.076 329 Y CA -1.964 56.178 58.100 0.070 0.000 1.029 329 Y CB 1.568 40.047 38.460 0.030 0.000 1.308 329 Y HN 0.819 nan 8.280 nan 0.000 0.461 330 Y N -0.102 120.196 120.300 -0.003 0.000 2.562 330 Y HA 0.635 5.182 4.550 -0.005 0.000 0.345 330 Y C -0.232 175.743 175.900 0.124 0.000 1.045 330 Y CA -1.324 56.719 58.100 -0.094 0.000 1.028 330 Y CB 2.018 40.470 38.460 -0.014 0.000 1.297 330 Y HN 0.694 nan 8.280 nan 0.000 0.463 331 E N 0.401 120.779 120.200 0.296 0.000 2.400 331 E HA 0.128 4.475 4.350 -0.005 0.000 0.195 331 E C -0.125 176.683 176.600 0.346 0.000 1.012 331 E CA 0.823 57.389 56.400 0.276 0.000 0.875 331 E CB 0.691 30.535 29.700 0.240 0.000 0.859 331 E HN 0.657 nan 8.360 nan 0.000 0.498 332 T N -0.255 114.598 114.554 0.497 0.000 2.886 332 T HA 0.059 4.406 4.350 -0.005 0.000 0.330 332 T C -1.291 173.711 174.700 0.505 0.000 1.488 332 T CA -0.718 61.726 62.100 0.573 0.000 1.054 332 T CB 1.236 70.377 68.868 0.455 0.000 1.348 332 T HN 0.017 nan 8.240 nan 0.000 0.489 333 D N 1.832 122.486 120.400 0.423 0.000 2.328 333 D HA 0.113 4.750 4.640 -0.005 0.000 0.221 333 D C 0.468 176.762 176.300 -0.011 0.000 1.072 333 D CA -0.116 53.904 54.000 0.032 0.000 0.850 333 D CB -0.904 39.793 40.800 -0.172 0.000 0.922 333 D HN 0.797 nan 8.370 nan 0.000 0.516 334 N N -1.347 117.355 118.700 0.005 0.000 2.721 334 N HA -0.308 4.429 4.740 -0.005 0.000 0.249 334 N C -0.612 174.883 175.510 -0.024 0.000 1.072 334 N CA 0.888 53.766 53.050 -0.286 0.000 0.710 334 N CB -1.384 36.927 38.487 -0.294 0.000 0.993 334 N HN 0.427 nan 8.380 nan 0.000 0.547 335 Y N -1.552 118.867 120.300 0.199 0.000 3.299 335 Y HA 0.183 4.730 4.550 -0.005 0.000 0.195 335 Y C 0.183 176.378 175.900 0.491 0.000 0.972 335 Y CA 0.459 58.779 58.100 0.367 0.000 1.633 335 Y CB 0.659 39.180 38.460 0.101 0.000 1.465 335 Y HN -0.014 nan 8.280 nan 0.000 0.367 336 T N 4.092 118.946 114.554 0.500 0.000 2.771 336 T HA 0.287 4.634 4.350 -0.005 0.000 0.291 336 T C -0.161 174.833 174.700 0.490 0.000 0.954 336 T CA -0.384 61.971 62.100 0.425 0.000 1.045 336 T CB 0.806 69.894 68.868 0.366 0.000 0.917 336 T HN 0.171 nan 8.240 nan 0.000 0.484 337 M N 4.576 124.284 119.600 0.181 0.000 2.238 337 M HA 0.179 4.656 4.480 -0.005 0.000 0.350 337 M C -2.150 174.368 176.300 0.364 0.000 1.321 337 M CA -1.741 53.540 55.300 -0.032 0.000 1.097 337 M CB 0.715 32.943 32.600 -0.620 0.000 1.713 337 M HN 0.283 nan 8.290 nan 0.000 0.455 338 P HA 0.063 nan 4.420 nan 0.000 0.272 338 P C -0.927 176.555 177.300 0.303 0.000 1.230 338 P CA -0.334 62.936 63.100 0.283 0.000 0.788 338 P CB 0.358 32.177 31.700 0.200 0.000 0.949 339 S N 2.323 118.136 115.700 0.187 0.000 2.579 339 S HA 0.155 4.622 4.470 -0.005 0.000 0.275 339 S C -1.474 173.195 174.600 0.114 0.000 1.345 339 S CA -0.800 57.476 58.200 0.126 0.000 1.031 339 S CB -0.291 62.920 63.200 0.019 0.000 0.892 339 S HN 0.360 nan 8.310 nan 0.000 0.529 340 P HA -0.217 nan 4.420 nan 0.000 0.217 340 P C 1.450 178.775 177.300 0.042 0.000 1.151 340 P CA 1.988 65.132 63.100 0.075 0.000 0.849 340 P CB -0.315 31.424 31.700 0.065 0.000 0.787 341 A N -0.533 122.300 122.820 0.022 0.000 1.902 341 A HA -0.162 4.155 4.320 -0.005 0.000 0.217 341 A C 2.432 180.014 177.584 -0.004 0.000 1.181 341 A CA 2.007 54.043 52.037 -0.001 0.000 0.623 341 A CB -1.436 17.551 19.000 -0.022 0.000 0.818 341 A HN 0.099 nan 8.150 nan 0.000 0.443 342 M N -1.264 118.337 119.600 0.002 0.000 2.108 342 M HA -0.188 4.289 4.480 -0.005 0.000 0.261 342 M C 2.351 178.649 176.300 -0.005 0.000 1.066 342 M CA 2.159 57.447 55.300 -0.020 0.000 1.107 342 M CB -0.199 32.379 32.600 -0.037 0.000 1.356 342 M HN 0.542 nan 8.290 nan 0.000 0.406 343 R N 0.018 120.539 120.500 0.034 0.000 2.090 343 R HA -0.075 4.263 4.340 -0.005 0.000 0.228 343 R C 2.153 178.480 176.300 0.045 0.000 1.110 343 R CA 1.456 57.593 56.100 0.060 0.000 0.973 343 R CB -0.261 30.093 30.300 0.089 0.000 0.869 343 R HN 0.199 nan 8.270 nan 0.000 0.440 344 R N -0.032 120.486 120.500 0.030 0.000 2.062 344 R HA -0.047 4.290 4.340 -0.005 0.000 0.231 344 R C 2.242 178.544 176.300 0.002 0.000 1.136 344 R CA 1.476 57.586 56.100 0.017 0.000 0.948 344 R CB -0.449 29.858 30.300 0.011 0.000 0.845 344 R HN 0.363 nan 8.270 nan 0.000 0.430 345 A N 1.704 124.518 122.820 -0.010 0.000 1.884 345 A HA -0.234 4.083 4.320 -0.005 0.000 0.219 345 A C 2.110 179.678 177.584 -0.027 0.000 1.197 345 A CA 1.449 53.470 52.037 -0.026 0.000 0.637 345 A CB -0.885 18.091 19.000 -0.039 0.000 0.827 345 A HN 0.364 nan 8.150 nan 0.000 0.450 346 L N -0.372 120.842 121.223 -0.015 0.000 1.955 346 L HA -0.177 4.160 4.340 -0.005 0.000 0.213 346 L C 2.515 179.389 176.870 0.006 0.000 1.072 346 L CA 2.438 57.279 54.840 0.002 0.000 0.755 346 L CB -0.935 41.145 42.059 0.035 0.000 0.888 346 L HN 0.479 nan 8.230 nan 0.000 0.432 347 I N 0.028 120.612 120.570 0.023 0.000 2.264 347 I HA -0.319 3.848 4.170 -0.005 0.000 0.248 347 I C 2.503 178.605 176.117 -0.024 0.000 1.111 347 I CA 1.173 62.478 61.300 0.008 0.000 1.382 347 I CB -0.162 37.860 38.000 0.038 0.000 1.060 347 I HN 0.368 nan 8.210 nan 0.000 0.418 348 E N 0.081 120.271 120.200 -0.017 0.000 2.051 348 E HA -0.244 4.103 4.350 -0.005 0.000 0.192 348 E C 2.265 178.843 176.600 -0.036 0.000 0.991 348 E CA 2.136 58.522 56.400 -0.023 0.000 0.799 348 E CB -0.203 29.486 29.700 -0.018 0.000 0.748 348 E HN 0.614 nan 8.360 nan 0.000 0.449 349 T N -0.194 114.334 114.554 -0.044 0.000 2.821 349 T HA -0.128 4.219 4.350 -0.005 0.000 0.267 349 T C 1.868 176.533 174.700 -0.058 0.000 1.046 349 T CA 1.025 63.092 62.100 -0.055 0.000 1.139 349 T CB -0.061 68.763 68.868 -0.074 0.000 0.871 349 T HN -0.044 nan 8.240 nan 0.000 0.454 350 K N 0.986 121.339 120.400 -0.077 0.000 2.044 350 K HA -0.240 4.077 4.320 -0.005 0.000 0.210 350 K C 2.557 179.082 176.600 -0.125 0.000 1.049 350 K CA 1.947 58.145 56.287 -0.148 0.000 0.927 350 K CB -0.336 31.998 32.500 -0.277 0.000 0.713 350 K HN 0.531 nan 8.250 nan 0.000 0.443 351 Q N -0.347 119.400 119.800 -0.090 0.000 2.050 351 Q HA -0.107 4.230 4.340 -0.005 0.000 0.202 351 Q C 2.180 178.163 176.000 -0.027 0.000 0.980 351 Q CA 1.277 57.046 55.803 -0.056 0.000 0.840 351 Q CB 0.032 28.748 28.738 -0.038 0.000 0.898 351 Q HN 0.201 nan 8.270 nan 0.000 0.424 352 R N 0.174 120.661 120.500 -0.021 0.000 2.189 352 R HA -0.043 4.294 4.340 -0.005 0.000 0.218 352 R C 2.078 178.395 176.300 0.028 0.000 1.074 352 R CA 0.726 56.825 56.100 -0.001 0.000 0.991 352 R CB -0.199 30.094 30.300 -0.011 0.000 0.883 352 R HN 0.319 nan 8.270 nan 0.000 0.457 353 L N -0.059 121.178 121.223 0.023 0.000 2.240 353 L HA -0.054 4.283 4.340 -0.005 0.000 0.211 353 L C 2.152 179.113 176.870 0.151 0.000 1.106 353 L CA 0.884 55.776 54.840 0.087 0.000 0.793 353 L CB -0.172 41.897 42.059 0.017 0.000 0.927 353 L HN 0.080 nan 8.230 nan 0.000 0.446 354 E N 0.220 120.451 120.200 0.051 0.000 2.072 354 E HA -0.149 4.198 4.350 -0.005 0.000 0.190 354 E C 2.275 178.894 176.600 0.032 0.000 0.982 354 E CA 1.112 57.531 56.400 0.031 0.000 0.803 354 E CB -0.022 29.669 29.700 -0.014 0.000 0.755 354 E HN 0.432 nan 8.360 nan 0.000 0.453 355 A N 0.372 123.210 122.820 0.030 0.000 2.014 355 A HA 0.050 4.367 4.320 -0.005 0.000 0.218 355 A C 2.143 179.742 177.584 0.025 0.000 1.163 355 A CA 1.338 53.387 52.037 0.019 0.000 0.652 355 A CB -0.266 18.742 19.000 0.013 0.000 0.808 355 A HN 0.292 nan 8.150 nan 0.000 0.449 356 A N -1.978 120.881 122.820 0.064 0.000 2.218 356 A HA 0.434 4.752 4.320 -0.005 0.000 0.209 356 A C 1.589 179.139 177.584 -0.057 0.000 1.168 356 A CA 1.194 53.267 52.037 0.060 0.000 0.804 356 A CB -0.483 18.620 19.000 0.173 0.000 0.834 356 A HN 1.748 nan 8.150 nan 0.000 0.482 357 G N -1.237 107.528 108.800 -0.058 0.000 2.148 357 G HA2 -0.136 3.821 3.960 -0.005 0.000 0.157 357 G HA3 -0.136 3.821 3.960 -0.005 0.000 0.157 357 G C -0.232 174.533 174.900 -0.225 0.000 1.012 357 G CA 0.025 45.036 45.100 -0.148 0.000 0.677 357 G HN 0.690 nan 8.290 nan 0.000 0.506 358 H N 0.517 119.584 119.070 -0.005 0.000 2.472 358 H HA 0.650 5.203 4.556 -0.005 0.000 0.335 358 H C 0.725 176.039 175.328 -0.024 0.000 1.136 358 H CA 0.478 56.520 56.048 -0.011 0.000 1.264 358 H CB 1.501 31.268 29.762 0.009 0.000 1.486 358 H HN 0.248 nan 8.280 nan 0.000 0.517 359 T N 2.336 116.938 114.554 0.081 0.000 2.806 359 T HA 0.323 4.670 4.350 -0.005 0.000 0.290 359 T C -0.596 174.115 174.700 0.018 0.000 0.966 359 T CA -0.914 61.203 62.100 0.029 0.000 1.060 359 T CB 0.178 69.049 68.868 0.005 0.000 0.927 359 T HN 0.238 nan 8.240 nan 0.000 0.485 360 L N 5.612 126.843 121.223 0.014 0.000 2.294 360 L HA 0.519 4.856 4.340 -0.005 0.000 0.283 360 L C -0.458 176.506 176.870 0.157 0.000 1.015 360 L CA -0.588 54.265 54.840 0.022 0.000 0.831 360 L CB 1.004 42.973 42.059 -0.149 0.000 1.217 360 L HN 0.774 nan 8.230 nan 0.000 0.420 361 I N 5.704 126.404 120.570 0.217 0.000 2.362 361 I HA 0.329 4.496 4.170 -0.005 0.000 0.289 361 I C -2.089 174.185 176.117 0.261 0.000 0.994 361 I CA -1.885 59.537 61.300 0.203 0.000 1.158 361 I CB 1.725 39.760 38.000 0.058 0.000 1.315 361 I HN 0.335 nan 8.210 nan 0.000 0.451 362 P HA 0.050 nan 4.420 nan 0.000 0.261 362 P C -1.039 176.275 177.300 0.024 0.000 1.203 362 P CA 0.389 63.395 63.100 -0.157 0.000 0.767 362 P CB -0.004 31.644 31.700 -0.087 0.000 0.785 363 F N 5.440 125.295 119.950 -0.157 0.000 2.588 363 F HA 0.568 5.093 4.527 -0.004 0.000 0.318 363 F C -1.976 173.837 175.800 0.022 0.000 1.155 363 F CA -1.045 56.920 58.000 -0.059 0.000 0.967 363 F CB 1.265 40.222 39.000 -0.072 0.000 1.236 363 F HN 0.082 nan 8.300 nan 0.000 0.455 364 L N 8.206 129.074 121.223 -0.592 0.000 2.408 364 L HA 0.782 5.119 4.340 -0.005 0.000 0.268 364 L C -2.741 173.664 176.870 -0.775 0.000 0.986 364 L CA -2.021 52.467 54.840 -0.587 0.000 0.820 364 L CB 2.223 44.005 42.059 -0.462 0.000 1.303 364 L HN 0.367 nan 8.230 nan 0.000 0.411 365 P HA 0.265 nan 4.420 nan 0.000 0.276 365 P C -1.412 175.747 177.300 -0.236 0.000 1.235 365 P CA -0.277 62.626 63.100 -0.329 0.000 0.772 365 P CB 0.328 31.990 31.700 -0.063 0.000 0.871 366 N N 1.849 120.433 118.700 -0.195 0.000 2.453 366 N HA -0.016 4.721 4.740 -0.005 0.000 0.253 366 N C -0.274 175.269 175.510 0.054 0.000 1.252 366 N CA -0.351 52.638 53.050 -0.102 0.000 0.917 366 N CB -0.462 37.965 38.487 -0.101 0.000 1.117 366 N HN 0.263 nan 8.380 nan 0.000 0.442 367 N N -0.321 118.405 118.700 0.043 0.000 2.727 367 N HA -0.194 4.543 4.740 -0.005 0.000 0.249 367 N C 0.246 175.818 175.510 0.103 0.000 1.048 367 N CA 0.723 53.836 53.050 0.106 0.000 0.714 367 N CB -0.989 37.585 38.487 0.145 0.000 0.959 367 N HN 0.550 nan 8.380 nan 0.000 0.544 368 I N -0.087 120.488 120.570 0.008 0.000 2.113 368 I HA -0.259 3.908 4.170 -0.005 0.000 0.242 368 I C -0.494 175.529 176.117 -0.156 0.000 1.064 368 I CA 1.846 63.080 61.300 -0.111 0.000 1.320 368 I CB -1.276 36.626 38.000 -0.164 0.000 1.028 368 I HN 0.221 nan 8.210 nan 0.000 0.406 369 P HA -0.219 nan 4.420 nan 0.000 0.216 369 P C 1.629 178.939 177.300 0.016 0.000 1.150 369 P CA 1.529 64.668 63.100 0.066 0.000 0.837 369 P CB -0.166 31.683 31.700 0.249 0.000 0.786 370 Y N 0.413 120.652 120.300 -0.101 0.000 2.263 370 Y HA -0.045 4.502 4.550 -0.005 0.000 0.292 370 Y C 2.331 178.069 175.900 -0.270 0.000 1.130 370 Y CA 1.413 59.433 58.100 -0.133 0.000 1.179 370 Y CB -0.796 37.606 38.460 -0.096 0.000 0.998 370 Y HN -0.126 nan 8.280 nan 0.000 0.532 371 A N 0.124 122.723 122.820 -0.368 0.000 1.897 371 A HA -0.083 4.234 4.320 -0.005 0.000 0.215 371 A C 2.211 179.495 177.584 -0.500 0.000 1.181 371 A CA 1.638 53.276 52.037 -0.666 0.000 0.620 371 A CB -0.934 17.499 19.000 -0.945 0.000 0.821 371 A HN 0.518 nan 8.150 nan 0.000 0.443 372 L N -1.059 119.912 121.223 -0.419 0.000 2.044 372 L HA -0.127 4.210 4.340 -0.005 0.000 0.205 372 L C 2.581 179.289 176.870 -0.270 0.000 1.075 372 L CA 1.580 56.186 54.840 -0.391 0.000 0.747 372 L CB -0.542 41.173 42.059 -0.572 0.000 0.903 372 L HN 0.427 nan 8.230 nan 0.000 0.435 373 E N -0.482 119.593 120.200 -0.208 0.000 2.122 373 E HA -0.147 4.200 4.350 -0.005 0.000 0.190 373 E C 2.121 178.635 176.600 -0.143 0.000 0.977 373 E CA 1.266 57.613 56.400 -0.088 0.000 0.820 373 E CB 0.166 29.873 29.700 0.013 0.000 0.770 373 E HN 0.398 nan 8.360 nan 0.000 0.462 374 V N -0.761 118.972 119.914 -0.302 0.000 2.672 374 V HA 0.021 4.138 4.120 -0.005 0.000 0.242 374 V C 1.743 177.624 176.094 -0.355 0.000 1.059 374 V CA 0.633 62.718 62.300 -0.358 0.000 1.081 374 V CB -0.154 31.368 31.823 -0.501 0.000 0.752 374 V HN 0.120 nan 8.190 nan 0.000 0.472 375 L N 0.203 121.163 121.223 -0.438 0.000 2.116 375 L HA 0.083 4.420 4.340 -0.005 0.000 0.200 375 L C 2.819 179.533 176.870 -0.260 0.000 1.084 375 L CA 1.435 56.068 54.840 -0.345 0.000 0.766 375 L CB -1.073 40.740 42.059 -0.410 0.000 0.930 375 L HN 0.264 nan 8.230 nan 0.000 0.453 376 S N 0.411 115.939 115.700 -0.285 0.000 2.414 376 S HA -0.287 4.180 4.470 -0.005 0.000 0.225 376 S C 2.110 176.575 174.600 -0.225 0.000 1.041 376 S CA 1.814 59.867 58.200 -0.246 0.000 1.114 376 S CB -0.509 62.533 63.200 -0.263 0.000 1.064 376 S HN 0.476 nan 8.310 nan 0.000 0.420 377 A N 0.840 123.547 122.820 -0.189 0.000 1.933 377 A HA 0.048 4.365 4.320 -0.005 0.000 0.218 377 A C 2.276 179.784 177.584 -0.126 0.000 1.175 377 A CA 1.906 53.858 52.037 -0.141 0.000 0.628 377 A CB -1.295 17.715 19.000 0.017 0.000 0.814 377 A HN 0.577 nan 8.150 nan 0.000 0.444 378 G N -0.871 107.864 108.800 -0.108 0.000 2.403 378 G HA2 0.137 4.094 3.960 -0.005 0.000 0.216 378 G HA3 0.137 4.094 3.960 -0.005 0.000 0.216 378 G C 1.474 176.335 174.900 -0.064 0.000 1.154 378 G CA 1.125 46.186 45.100 -0.065 0.000 0.784 378 G HN 0.663 nan 8.290 nan 0.000 0.538 379 G N 1.138 109.873 108.800 -0.108 0.000 2.421 379 G HA2 -0.159 3.798 3.960 -0.005 0.000 0.216 379 G HA3 -0.159 3.798 3.960 -0.005 0.000 0.216 379 G C 1.768 176.604 174.900 -0.107 0.000 1.171 379 G CA 0.666 45.712 45.100 -0.089 0.000 0.775 379 G HN 0.398 nan 8.290 nan 0.000 0.543 380 L N -0.962 120.126 121.223 -0.226 0.000 2.131 380 L HA 0.070 4.408 4.340 -0.005 0.000 0.210 380 L C 1.252 177.940 176.870 -0.303 0.000 1.092 380 L CA 0.644 55.257 54.840 -0.378 0.000 0.759 380 L CB -0.134 41.512 42.059 -0.689 0.000 0.903 380 L HN 0.126 nan 8.230 nan 0.000 0.435 381 F N -1.357 118.549 119.950 -0.073 0.000 2.850 381 F HA 0.186 4.710 4.527 -0.005 0.000 0.329 381 F C 1.804 177.573 175.800 -0.052 0.000 1.182 381 F CA -0.746 57.206 58.000 -0.080 0.000 1.270 381 F CB -0.533 38.394 39.000 -0.122 0.000 0.979 381 F HN -0.125 nan 8.300 nan 0.000 0.506 382 S N -0.397 115.376 115.700 0.122 0.000 2.469 382 S HA -0.172 4.295 4.470 -0.005 0.000 0.238 382 S C 1.490 176.128 174.600 0.064 0.000 0.998 382 S CA 1.447 59.690 58.200 0.072 0.000 0.957 382 S CB -0.229 63.001 63.200 0.049 0.000 0.764 382 S HN 0.561 nan 8.310 nan 0.000 0.514 383 D N 0.010 120.459 120.400 0.082 0.000 2.363 383 D HA 0.230 4.867 4.640 -0.005 0.000 0.214 383 D C 1.205 177.530 176.300 0.043 0.000 1.093 383 D CA 0.523 54.560 54.000 0.061 0.000 0.837 383 D CB -0.362 40.483 40.800 0.076 0.000 0.948 383 D HN 0.382 nan 8.370 nan 0.000 0.507 384 G N 0.228 109.048 108.800 0.034 0.000 2.162 384 G HA2 -0.175 3.782 3.960 -0.005 0.000 0.260 384 G HA3 -0.175 3.782 3.960 -0.005 0.000 0.260 384 G C 1.162 175.996 174.900 -0.109 0.000 0.976 384 G CA 0.374 45.449 45.100 -0.042 0.000 0.655 384 G HN 1.365 nan 8.290 nan 0.000 0.533 385 G N -2.061 106.721 108.800 -0.030 0.000 2.136 385 G HA2 0.115 4.073 3.960 -0.005 0.000 0.242 385 G HA3 0.115 4.073 3.960 -0.005 0.000 0.242 385 G C 1.239 176.200 174.900 0.102 0.000 0.989 385 G CA 1.584 46.680 45.100 -0.008 0.000 0.682 385 G HN 1.965 nan 8.290 nan 0.000 0.522 386 R N 0.348 120.893 120.500 0.074 0.000 2.066 386 R HA 0.202 4.539 4.340 -0.005 0.000 0.232 386 R C 2.803 179.165 176.300 0.103 0.000 1.131 386 R CA 2.595 58.738 56.100 0.072 0.000 0.955 386 R CB -1.378 28.949 30.300 0.045 0.000 0.851 386 R HN 0.887 nan 8.270 nan 0.000 0.432 387 S N 0.146 115.921 115.700 0.125 0.000 2.382 387 S HA -0.098 4.369 4.470 -0.005 0.000 0.228 387 S C 1.803 176.502 174.600 0.165 0.000 1.027 387 S CA 1.240 59.514 58.200 0.125 0.000 0.991 387 S CB -0.464 62.812 63.200 0.125 0.000 0.823 387 S HN 0.570 nan 8.310 nan 0.000 0.469 388 F N 1.884 121.886 119.950 0.087 0.000 2.171 388 F HA 0.024 4.549 4.527 -0.004 0.000 0.300 388 F C 1.701 177.629 175.800 0.212 0.000 1.090 388 F CA 1.070 59.154 58.000 0.141 0.000 1.293 388 F CB -0.212 38.897 39.000 0.181 0.000 1.013 388 F HN 0.093 nan 8.300 nan 0.000 0.486 389 L N -0.641 120.680 121.223 0.164 0.000 2.341 389 L HA -0.092 4.245 4.340 -0.005 0.000 0.214 389 L C 2.260 179.183 176.870 0.088 0.000 1.115 389 L CA 0.376 55.292 54.840 0.128 0.000 0.820 389 L CB -0.525 41.586 42.059 0.087 0.000 0.944 389 L HN 0.052 nan 8.230 nan 0.000 0.452 390 Q N 0.735 120.556 119.800 0.035 0.000 2.217 390 Q HA -0.253 4.084 4.340 -0.005 0.000 0.209 390 Q C 1.617 177.577 176.000 -0.066 0.000 0.988 390 Q CA 1.930 57.730 55.803 -0.005 0.000 0.878 390 Q CB -0.362 28.376 28.738 -0.001 0.000 0.909 390 Q HN 0.543 nan 8.270 nan 0.000 0.424 391 N N -1.660 116.943 118.700 -0.162 0.000 2.512 391 N HA -0.039 4.698 4.740 -0.005 0.000 0.183 391 N C 0.149 175.366 175.510 -0.488 0.000 1.073 391 N CA 0.543 53.373 53.050 -0.366 0.000 0.911 391 N CB 0.106 38.237 38.487 -0.593 0.000 0.964 391 N HN 0.181 nan 8.380 nan 0.000 0.447 392 F N 0.420 120.267 119.950 -0.173 0.000 2.682 392 F HA 0.277 4.802 4.527 -0.005 0.000 0.308 392 F C 0.525 176.262 175.800 -0.104 0.000 1.093 392 F CA -0.573 57.343 58.000 -0.139 0.000 1.244 392 F CB 0.338 39.243 39.000 -0.158 0.000 1.052 392 F HN -0.277 nan 8.300 nan 0.000 0.573 393 K N 0.705 121.129 120.400 0.040 0.000 2.402 393 K HA 0.261 4.578 4.320 -0.005 0.000 0.279 393 K C 1.305 177.890 176.600 -0.026 0.000 1.082 393 K CA 1.119 57.407 56.287 0.001 0.000 1.080 393 K CB -0.255 32.237 32.500 -0.014 0.000 0.899 393 K HN 0.394 nan 8.250 nan 0.000 0.469 394 G N 2.904 111.678 108.800 -0.044 0.000 2.196 394 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.268 394 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.268 394 G C -0.015 174.814 174.900 -0.118 0.000 0.975 394 G CA 0.362 45.408 45.100 -0.089 0.000 0.648 394 G HN 0.674 nan 8.290 nan 0.000 0.538 395 D N -0.357 120.016 120.400 -0.045 0.000 2.264 395 D HA 0.497 5.134 4.640 -0.005 0.000 0.249 395 D C 0.826 177.123 176.300 -0.004 0.000 1.070 395 D CA -0.469 53.540 54.000 0.014 0.000 0.912 395 D CB 0.359 41.204 40.800 0.075 0.000 1.193 395 D HN 0.022 nan 8.370 nan 0.000 0.427 396 F N 0.437 120.424 119.950 0.063 0.000 2.545 396 F HA 0.048 4.572 4.527 -0.005 0.000 0.348 396 F C 0.911 176.789 175.800 0.131 0.000 1.163 396 F CA -0.197 57.842 58.000 0.065 0.000 1.331 396 F CB 0.563 39.584 39.000 0.034 0.000 1.138 396 F HN -0.041 nan 8.300 nan 0.000 0.602 397 V N 0.593 120.672 119.914 0.275 0.000 2.448 397 V HA 0.360 4.477 4.120 -0.005 0.000 0.295 397 V C -0.453 175.732 176.094 0.151 0.000 1.025 397 V CA -0.968 61.442 62.300 0.183 0.000 0.859 397 V CB 1.455 33.248 31.823 -0.050 0.000 0.988 397 V HN 0.743 nan 8.190 nan 0.000 0.431 398 D N 7.013 127.505 120.400 0.154 0.000 2.390 398 D HA 0.241 4.878 4.640 -0.005 0.000 0.249 398 D C -1.277 175.059 176.300 0.059 0.000 1.144 398 D CA -1.336 52.725 54.000 0.101 0.000 0.880 398 D CB 2.282 43.143 40.800 0.102 0.000 1.182 398 D HN 0.472 nan 8.370 nan 0.000 0.451 399 P HA -0.231 nan 4.420 nan 0.000 0.219 399 P C 1.738 179.038 177.300 0.000 0.000 1.153 399 P CA 1.142 64.251 63.100 0.015 0.000 0.865 399 P CB -0.376 31.326 31.700 0.004 0.000 0.788 400 C N -2.256 117.043 119.300 -0.001 0.000 2.437 400 C HA 0.027 4.484 4.460 -0.005 0.000 0.283 400 C C 2.403 177.381 174.990 -0.020 0.000 1.424 400 C CA 0.091 59.093 59.018 -0.027 0.000 1.782 400 C CB -2.304 25.419 27.740 -0.029 0.000 1.833 400 C HN 0.032 nan 8.230 nan 0.000 0.532 401 L N 1.413 122.650 121.223 0.022 0.000 2.558 401 L HA 0.356 4.693 4.340 -0.005 0.000 0.225 401 L C 2.033 178.917 176.870 0.023 0.000 1.128 401 L CA 1.590 56.455 54.840 0.042 0.000 0.868 401 L CB -0.704 41.402 42.059 0.079 0.000 1.006 401 L HN 0.752 nan 8.230 nan 0.000 0.454 402 G N -0.198 108.608 108.800 0.009 0.000 2.543 402 G HA2 -0.349 3.608 3.960 -0.005 0.000 0.286 402 G HA3 -0.349 3.608 3.960 -0.005 0.000 0.286 402 G C 0.546 175.458 174.900 0.020 0.000 1.153 402 G CA 0.344 45.453 45.100 0.015 0.000 0.968 402 G HN 0.224 nan 8.290 nan 0.000 0.544 403 D N 0.247 120.673 120.400 0.044 0.000 2.500 403 D HA 0.224 4.861 4.640 -0.005 0.000 0.217 403 D C 2.240 178.559 176.300 0.033 0.000 1.159 403 D CA 0.297 54.318 54.000 0.036 0.000 0.828 403 D CB 0.693 41.527 40.800 0.057 0.000 1.039 403 D HN 0.294 nan 8.370 nan 0.000 0.512 404 L N 1.087 122.343 121.223 0.054 0.000 2.079 404 L HA -0.165 4.172 4.340 -0.005 0.000 0.210 404 L C 1.715 178.547 176.870 -0.063 0.000 1.081 404 L CA 1.612 56.478 54.840 0.045 0.000 0.752 404 L CB -0.328 41.795 42.059 0.108 0.000 0.896 404 L HN -0.088 nan 8.230 nan 0.000 0.433 405 I N -0.545 119.968 120.570 -0.095 0.000 2.179 405 I HA -0.244 3.923 4.170 -0.005 0.000 0.242 405 I C 2.543 178.573 176.117 -0.145 0.000 1.088 405 I CA 1.561 62.750 61.300 -0.185 0.000 1.357 405 I CB -1.499 36.303 38.000 -0.329 0.000 1.051 405 I HN 0.424 nan 8.210 nan 0.000 0.409 406 L N 1.123 122.284 121.223 -0.102 0.000 2.012 406 L HA -0.161 4.176 4.340 -0.005 0.000 0.210 406 L C 2.361 179.179 176.870 -0.086 0.000 1.073 406 L CA 1.922 56.713 54.840 -0.081 0.000 0.748 406 L CB -0.578 41.452 42.059 -0.048 0.000 0.891 406 L HN 0.069 nan 8.230 nan 0.000 0.431 407 I N -0.894 119.626 120.570 -0.084 0.000 2.286 407 I HA -0.250 3.917 4.170 -0.005 0.000 0.245 407 I C 2.350 178.361 176.117 -0.177 0.000 1.104 407 I CA 1.074 62.312 61.300 -0.103 0.000 1.397 407 I CB -0.254 37.697 38.000 -0.082 0.000 1.072 407 I HN 0.252 nan 8.210 nan 0.000 0.417 408 L N 0.066 121.154 121.223 -0.225 0.000 2.131 408 L HA -0.183 4.154 4.340 -0.005 0.000 0.210 408 L C 2.632 179.400 176.870 -0.169 0.000 1.092 408 L CA 1.243 55.922 54.840 -0.268 0.000 0.759 408 L CB -0.506 41.368 42.059 -0.307 0.000 0.903 408 L HN 0.171 nan 8.230 nan 0.000 0.435 409 R N -0.205 120.216 120.500 -0.130 0.000 2.189 409 R HA -0.008 4.329 4.340 -0.005 0.000 0.223 409 R C 0.687 176.925 176.300 -0.104 0.000 1.092 409 R CA 0.287 56.327 56.100 -0.100 0.000 0.989 409 R CB -0.236 30.008 30.300 -0.092 0.000 0.876 409 R HN 0.273 nan 8.270 nan 0.000 0.457 410 L N 2.884 124.035 121.223 -0.119 0.000 2.483 410 L HA 0.057 4.394 4.340 -0.005 0.000 0.276 410 L C -1.755 175.030 176.870 -0.142 0.000 1.213 410 L CA -1.557 53.201 54.840 -0.136 0.000 0.843 410 L CB 0.004 42.015 42.059 -0.080 0.000 1.107 410 L HN -0.034 nan 8.230 nan 0.000 0.487 411 P HA 0.106 nan 4.420 nan 0.000 0.274 411 P C 0.231 177.427 177.300 -0.173 0.000 1.246 411 P CA -0.427 62.587 63.100 -0.143 0.000 0.795 411 P CB 0.876 32.510 31.700 -0.110 0.000 1.006 412 S N 0.485 116.171 115.700 -0.022 0.000 2.368 412 S HA -0.147 4.320 4.470 -0.005 0.000 0.226 412 S C 1.681 176.294 174.600 0.022 0.000 1.044 412 S CA 1.726 59.938 58.200 0.020 0.000 1.062 412 S CB -0.872 62.388 63.200 0.100 0.000 0.931 412 S HN 0.720 nan 8.310 nan 0.000 0.440 413 W N 0.099 121.436 121.300 0.062 0.000 2.425 413 W HA 0.002 4.659 4.660 -0.005 0.000 0.277 413 W C 1.738 178.324 176.519 0.111 0.000 1.231 413 W CA 0.309 57.696 57.345 0.069 0.000 1.248 413 W CB -1.017 28.484 29.460 0.068 0.000 1.117 413 W HN 0.293 nan 8.180 nan 0.000 0.568 414 F N 2.246 121.600 119.950 -0.994 0.000 2.416 414 F HA 0.116 4.641 4.527 -0.004 0.000 0.296 414 F C 2.392 177.940 175.800 -0.419 0.000 1.099 414 F CA 1.291 58.738 58.000 -0.922 0.000 1.427 414 F CB -0.192 38.035 39.000 -1.288 0.000 1.079 414 F HN -0.318 nan 8.300 nan 0.000 0.536 415 K N 0.238 120.504 120.400 -0.224 0.000 2.097 415 K HA -0.131 4.186 4.320 -0.005 0.000 0.205 415 K C 2.538 179.037 176.600 -0.168 0.000 1.050 415 K CA 1.701 57.876 56.287 -0.186 0.000 0.938 415 K CB -0.256 32.161 32.500 -0.138 0.000 0.718 415 K HN 0.206 nan 8.250 nan 0.000 0.442 416 R N 0.896 121.330 120.500 -0.111 0.000 2.066 416 R HA -0.017 4.320 4.340 -0.005 0.000 0.232 416 R C 2.134 178.381 176.300 -0.088 0.000 1.131 416 R CA 1.637 57.700 56.100 -0.061 0.000 0.955 416 R CB -1.475 28.831 30.300 0.010 0.000 0.851 416 R HN 0.260 nan 8.270 nan 0.000 0.432 417 L N 0.233 121.389 121.223 -0.111 0.000 1.990 417 L HA -0.079 4.258 4.340 -0.005 0.000 0.213 417 L C 2.548 179.276 176.870 -0.236 0.000 1.072 417 L CA 1.911 56.674 54.840 -0.129 0.000 0.755 417 L CB -0.296 41.717 42.059 -0.077 0.000 0.889 417 L HN 0.414 nan 8.230 nan 0.000 0.432 418 L N -1.326 119.643 121.223 -0.424 0.000 2.131 418 L HA -0.214 4.123 4.340 -0.005 0.000 0.210 418 L C 2.676 179.434 176.870 -0.187 0.000 1.092 418 L CA 1.361 55.980 54.840 -0.369 0.000 0.759 418 L CB -0.367 41.393 42.059 -0.498 0.000 0.903 418 L HN 0.407 nan 8.230 nan 0.000 0.435 419 S N 0.172 115.783 115.700 -0.149 0.000 2.344 419 S HA -0.148 4.319 4.470 -0.005 0.000 0.217 419 S C 1.851 176.421 174.600 -0.050 0.000 1.033 419 S CA 1.580 59.734 58.200 -0.075 0.000 1.017 419 S CB -0.191 62.975 63.200 -0.055 0.000 0.941 419 S HN 0.435 nan 8.310 nan 0.000 0.430 420 L N 0.097 121.290 121.223 -0.049 0.000 2.376 420 L HA 0.126 4.463 4.340 -0.005 0.000 0.219 420 L C 2.255 179.099 176.870 -0.043 0.000 1.133 420 L CA 1.166 55.986 54.840 -0.033 0.000 0.816 420 L CB -1.572 40.475 42.059 -0.019 0.000 0.933 420 L HN 0.283 nan 8.230 nan 0.000 0.449 421 L N 0.074 121.259 121.223 -0.064 0.000 2.083 421 L HA -0.162 4.175 4.340 -0.005 0.000 0.209 421 L C 2.496 179.327 176.870 -0.066 0.000 1.083 421 L CA 1.259 56.058 54.840 -0.069 0.000 0.752 421 L CB -0.288 41.715 42.059 -0.093 0.000 0.899 421 L HN 0.201 nan 8.230 nan 0.000 0.433 422 L N -0.393 120.799 121.223 -0.052 0.000 2.209 422 L HA -0.070 4.267 4.340 -0.005 0.000 0.207 422 L C 2.852 179.703 176.870 -0.032 0.000 1.094 422 L CA 1.873 56.700 54.840 -0.022 0.000 0.790 422 L CB -1.481 40.601 42.059 0.039 0.000 0.932 422 L HN 0.215 nan 8.230 nan 0.000 0.447 423 K N 0.856 121.243 120.400 -0.022 0.000 2.113 423 K HA -0.169 4.148 4.320 -0.005 0.000 0.208 423 K C 0.056 176.640 176.600 -0.027 0.000 1.047 423 K CA 1.910 58.192 56.287 -0.009 0.000 0.928 423 K CB -2.532 29.969 32.500 0.002 0.000 0.716 423 K HN 0.478 nan 8.250 nan 0.000 0.446 424 P HA -0.098 nan 4.420 nan 0.000 0.217 424 P C 0.988 178.208 177.300 -0.134 0.000 1.150 424 P CA 0.762 63.814 63.100 -0.080 0.000 0.832 424 P CB 0.135 31.784 31.700 -0.085 0.000 0.787 425 L N -2.280 118.800 121.223 -0.238 0.000 2.349 425 L HA 0.204 4.542 4.340 -0.005 0.000 0.200 425 L C 1.244 177.836 176.870 -0.464 0.000 1.064 425 L CA 1.032 55.584 54.840 -0.480 0.000 0.821 425 L CB -1.130 40.435 42.059 -0.823 0.000 1.027 425 L HN -0.109 nan 8.230 nan 0.000 0.476 426 F N 1.434 121.364 119.950 -0.034 0.000 2.550 426 F HA 0.296 4.819 4.527 -0.006 0.000 0.348 426 F C -1.395 174.361 175.800 -0.073 0.000 1.219 426 F CA -1.452 56.511 58.000 -0.061 0.000 1.203 426 F CB 1.061 39.985 39.000 -0.127 0.000 1.436 426 F HN -0.071 nan 8.300 nan 0.000 0.541 427 P HA -0.147 nan 4.420 nan 0.000 0.218 427 P C 1.454 178.750 177.300 -0.007 0.000 1.149 427 P CA 1.252 64.403 63.100 0.085 0.000 0.817 427 P CB 0.260 32.056 31.700 0.160 0.000 0.785 428 R N -0.802 119.589 120.500 -0.182 0.000 2.066 428 R HA -0.057 4.280 4.340 -0.005 0.000 0.232 428 R C 2.247 178.443 176.300 -0.174 0.000 1.131 428 R CA 1.079 56.996 56.100 -0.304 0.000 0.955 428 R CB -0.888 28.998 30.300 -0.689 0.000 0.851 428 R HN 0.169 nan 8.270 nan 0.000 0.432 429 L N 0.330 121.381 121.223 -0.288 0.000 2.141 429 L HA -0.042 4.295 4.340 -0.005 0.000 0.209 429 L C 2.441 179.334 176.870 0.040 0.000 1.094 429 L CA 1.574 56.297 54.840 -0.195 0.000 0.763 429 L CB -1.179 40.696 42.059 -0.306 0.000 0.908 429 L HN 0.149 nan 8.230 nan 0.000 0.437 430 A N -0.544 122.290 122.820 0.023 0.000 1.933 430 A HA -0.115 4.202 4.320 -0.005 0.000 0.218 430 A C 2.498 180.118 177.584 0.060 0.000 1.175 430 A CA 1.691 53.750 52.037 0.035 0.000 0.628 430 A CB -0.679 18.337 19.000 0.027 0.000 0.814 430 A HN 0.369 nan 8.150 nan 0.000 0.444 431 A N -1.398 121.474 122.820 0.087 0.000 1.897 431 A HA -0.001 4.316 4.320 -0.005 0.000 0.215 431 A C 2.084 179.783 177.584 0.191 0.000 1.181 431 A CA 1.266 53.370 52.037 0.113 0.000 0.620 431 A CB -0.701 18.367 19.000 0.113 0.000 0.821 431 A HN 0.626 nan 8.150 nan 0.000 0.443 432 F N 0.530 120.526 119.950 0.076 0.000 2.126 432 F HA -0.191 4.333 4.527 -0.005 0.000 0.299 432 F C 1.940 177.796 175.800 0.093 0.000 1.096 432 F CA 1.502 59.587 58.000 0.142 0.000 1.255 432 F CB -0.015 39.135 39.000 0.250 0.000 0.997 432 F HN 0.143 nan 8.300 nan 0.000 0.479 433 L N -0.124 121.118 121.223 0.032 0.000 2.109 433 L HA -0.223 4.114 4.340 -0.005 0.000 0.207 433 L C 2.272 179.095 176.870 -0.079 0.000 1.086 433 L CA 1.236 56.010 54.840 -0.111 0.000 0.760 433 L CB -0.963 41.045 42.059 -0.086 0.000 0.910 433 L HN 0.283 nan 8.230 nan 0.000 0.437 434 N N 0.325 119.015 118.700 -0.017 0.000 2.289 434 N HA -0.170 4.567 4.740 -0.005 0.000 0.184 434 N C 1.751 177.258 175.510 -0.005 0.000 1.016 434 N CA 1.588 54.633 53.050 -0.010 0.000 0.872 434 N CB 0.236 38.730 38.487 0.011 0.000 0.973 434 N HN 0.360 nan 8.380 nan 0.000 0.433 435 S N -0.690 115.016 115.700 0.010 0.000 2.548 435 S HA 0.135 4.602 4.470 -0.005 0.000 0.215 435 S C 1.441 176.072 174.600 0.050 0.000 0.976 435 S CA -0.177 58.043 58.200 0.033 0.000 0.908 435 S CB 0.007 63.250 63.200 0.072 0.000 0.781 435 S HN 0.229 nan 8.310 nan 0.000 0.519 436 M N 2.278 121.855 119.600 -0.038 0.000 2.453 436 M HA 0.264 4.741 4.480 -0.005 0.000 0.239 436 M C 0.798 177.043 176.300 -0.091 0.000 1.151 436 M CA -0.231 55.004 55.300 -0.108 0.000 0.989 436 M CB 0.221 32.622 32.600 -0.331 0.000 1.548 436 M HN 0.224 nan 8.290 nan 0.000 0.479 437 R N 2.230 122.704 120.500 -0.043 0.000 2.543 437 R HA 0.282 4.619 4.340 -0.005 0.000 0.277 437 R C -2.977 173.320 176.300 -0.007 0.000 1.074 437 R CA -1.238 54.845 56.100 -0.028 0.000 1.076 437 R CB -0.210 30.082 30.300 -0.013 0.000 0.993 437 R HN -0.087 nan 8.270 nan 0.000 0.459 438 P HA 0.240 nan 4.420 nan 0.000 0.276 438 P C -0.648 176.658 177.300 0.010 0.000 1.264 438 P CA -0.012 63.093 63.100 0.008 0.000 0.769 438 P CB 0.488 32.194 31.700 0.008 0.000 0.840 439 R N 1.457 121.964 120.500 0.012 0.000 2.596 439 R HA 0.590 4.927 4.340 -0.005 0.000 0.267 439 R C 0.701 176.995 176.300 -0.010 0.000 1.026 439 R CA -0.638 55.464 56.100 0.004 0.000 1.087 439 R CB 0.971 31.278 30.300 0.011 0.000 1.132 439 R HN 0.477 nan 8.270 nan 0.000 0.531 440 S N 0.004 115.686 115.700 -0.029 0.000 2.687 440 S HA 0.340 4.807 4.470 -0.005 0.000 0.283 440 S C 1.092 175.626 174.600 -0.109 0.000 1.170 440 S CA -0.278 57.883 58.200 -0.065 0.000 1.008 440 S CB 1.769 64.923 63.200 -0.076 0.000 1.026 440 S HN 0.687 nan 8.310 nan 0.000 0.541 441 A N 0.928 123.639 122.820 -0.182 0.000 1.917 441 A HA -0.158 4.159 4.320 -0.005 0.000 0.219 441 A C 2.081 179.329 177.584 -0.560 0.000 1.182 441 A CA 1.976 53.810 52.037 -0.338 0.000 0.633 441 A CB -1.423 17.332 19.000 -0.408 0.000 0.819 441 A HN 1.029 nan 8.150 nan 0.000 0.448 442 E N -0.496 119.421 120.200 -0.472 0.000 2.086 442 E HA -0.300 4.047 4.350 -0.005 0.000 0.200 442 E C 1.723 178.279 176.600 -0.074 0.000 1.012 442 E CA 1.925 58.146 56.400 -0.299 0.000 0.812 442 E CB -0.073 29.526 29.700 -0.169 0.000 0.743 442 E HN 0.459 nan 8.360 nan 0.000 0.453 443 K N 0.135 120.504 120.400 -0.051 0.000 2.365 443 K HA 0.097 4.414 4.320 -0.005 0.000 0.197 443 K C 1.745 178.382 176.600 0.063 0.000 1.042 443 K CA 0.013 56.315 56.287 0.025 0.000 0.987 443 K CB 0.019 32.526 32.500 0.012 0.000 0.779 443 K HN 0.153 nan 8.250 nan 0.000 0.484 444 L N -0.623 120.631 121.223 0.052 0.000 2.109 444 L HA -0.135 4.202 4.340 -0.005 0.000 0.207 444 L C 1.268 178.301 176.870 0.271 0.000 1.086 444 L CA 1.380 56.297 54.840 0.128 0.000 0.760 444 L CB -0.254 41.873 42.059 0.114 0.000 0.910 444 L HN 0.328 nan 8.230 nan 0.000 0.437 445 W N 0.811 122.134 121.300 0.038 0.000 2.353 445 W HA -0.228 4.429 4.660 -0.005 0.000 0.319 445 W C 2.954 179.515 176.519 0.070 0.000 1.207 445 W CA 2.179 59.550 57.345 0.044 0.000 1.291 445 W CB -1.332 28.144 29.460 0.027 0.000 1.159 445 W HN 0.107 nan 8.180 nan 0.000 0.478 446 K N 0.510 121.099 120.400 0.314 0.000 2.052 446 K HA -0.233 4.084 4.320 -0.005 0.000 0.215 446 K C 1.949 178.670 176.600 0.201 0.000 1.053 446 K CA 2.243 58.668 56.287 0.229 0.000 0.934 446 K CB -1.484 31.116 32.500 0.167 0.000 0.717 446 K HN 0.258 nan 8.250 nan 0.000 0.450 447 L N 0.749 122.063 121.223 0.152 0.000 2.046 447 L HA -0.112 4.226 4.340 -0.005 0.000 0.208 447 L C 2.664 179.587 176.870 0.089 0.000 1.077 447 L CA 2.210 57.104 54.840 0.091 0.000 0.747 447 L CB -0.379 41.710 42.059 0.049 0.000 0.896 447 L HN 0.591 nan 8.230 nan 0.000 0.432 448 Q N -1.683 118.195 119.800 0.129 0.000 2.167 448 Q HA -0.251 4.086 4.340 -0.005 0.000 0.202 448 Q C 2.139 178.221 176.000 0.137 0.000 0.970 448 Q CA 1.583 57.453 55.803 0.112 0.000 0.855 448 Q CB -0.145 28.663 28.738 0.117 0.000 0.911 448 Q HN 0.652 nan 8.270 nan 0.000 0.438 449 H N 0.715 119.824 119.070 0.065 0.000 2.357 449 H HA -0.051 4.503 4.556 -0.005 0.000 0.301 449 H C 1.460 176.835 175.328 0.079 0.000 1.082 449 H CA 1.743 57.827 56.048 0.059 0.000 1.342 449 H CB 0.219 30.019 29.762 0.062 0.000 1.389 449 H HN 0.234 nan 8.280 nan 0.000 0.511 450 E N -0.247 119.976 120.200 0.039 0.000 2.171 450 E HA -0.165 4.182 4.350 -0.005 0.000 0.197 450 E C 2.221 178.845 176.600 0.040 0.000 0.997 450 E CA 1.329 57.745 56.400 0.027 0.000 0.810 450 E CB -0.033 29.729 29.700 0.104 0.000 0.738 450 E HN 0.549 nan 8.360 nan 0.000 0.467 451 I N 1.267 121.852 120.570 0.025 0.000 2.233 451 I HA -0.227 3.940 4.170 -0.005 0.000 0.243 451 I C 2.768 178.922 176.117 0.062 0.000 1.093 451 I CA 1.068 62.389 61.300 0.034 0.000 1.380 451 I CB -0.332 37.668 38.000 -0.000 0.000 1.067 451 I HN 0.156 nan 8.210 nan 0.000 0.413 452 E N 1.432 121.649 120.200 0.028 0.000 2.150 452 E HA -0.244 4.103 4.350 -0.005 0.000 0.193 452 E C 2.169 178.768 176.600 -0.003 0.000 0.985 452 E CA 1.237 57.654 56.400 0.028 0.000 0.814 452 E CB -0.239 29.494 29.700 0.054 0.000 0.752 452 E HN 0.472 nan 8.360 nan 0.000 0.466 453 M N -0.161 119.389 119.600 -0.083 0.000 2.229 453 M HA -0.106 4.371 4.480 -0.005 0.000 0.264 453 M C 2.133 178.442 176.300 0.015 0.000 1.063 453 M CA 1.406 56.655 55.300 -0.086 0.000 1.114 453 M CB -0.272 32.198 32.600 -0.216 0.000 1.387 453 M HN 0.181 nan 8.290 nan 0.000 0.420 454 Y N 0.522 120.798 120.300 -0.041 0.000 2.163 454 Y HA -0.231 4.316 4.550 -0.006 0.000 0.288 454 Y C 2.560 178.449 175.900 -0.017 0.000 1.136 454 Y CA 1.715 59.805 58.100 -0.018 0.000 1.147 454 Y CB -0.141 38.314 38.460 -0.009 0.000 0.987 454 Y HN 0.048 nan 8.280 nan 0.000 0.509 455 R N -0.123 120.404 120.500 0.045 0.000 2.112 455 R HA -0.256 4.081 4.340 -0.005 0.000 0.242 455 R C 2.315 178.626 176.300 0.018 0.000 1.137 455 R CA 2.126 58.233 56.100 0.012 0.000 0.944 455 R CB -0.220 30.120 30.300 0.066 0.000 0.857 455 R HN 0.363 nan 8.270 nan 0.000 0.435 456 Q N -0.172 119.634 119.800 0.010 0.000 2.084 456 Q HA -0.139 4.198 4.340 -0.005 0.000 0.202 456 Q C 2.181 178.179 176.000 -0.004 0.000 0.978 456 Q CA 2.000 57.813 55.803 0.017 0.000 0.844 456 Q CB -0.425 28.320 28.738 0.012 0.000 0.898 456 Q HN 0.397 nan 8.270 nan 0.000 0.426 457 S N -0.311 115.347 115.700 -0.070 0.000 2.382 457 S HA -0.097 4.370 4.470 -0.005 0.000 0.228 457 S C 2.065 176.606 174.600 -0.098 0.000 1.027 457 S CA 1.403 59.545 58.200 -0.097 0.000 0.991 457 S CB -0.261 62.851 63.200 -0.146 0.000 0.823 457 S HN 0.141 nan 8.310 nan 0.000 0.469 458 V N 1.682 121.483 119.914 -0.188 0.000 2.427 458 V HA -0.049 4.068 4.120 -0.005 0.000 0.248 458 V C 2.446 178.730 176.094 0.316 0.000 1.051 458 V CA 1.704 63.996 62.300 -0.012 0.000 1.048 458 V CB -0.710 30.996 31.823 -0.196 0.000 0.666 458 V HN 0.497 nan 8.190 nan 0.000 0.456 459 I N 0.618 121.344 120.570 0.260 0.000 2.208 459 I HA -0.271 3.896 4.170 -0.005 0.000 0.245 459 I C 2.607 178.842 176.117 0.197 0.000 1.097 459 I CA 1.592 63.014 61.300 0.202 0.000 1.363 459 I CB -0.446 37.597 38.000 0.072 0.000 1.051 459 I HN 0.296 nan 8.210 nan 0.000 0.413 460 A N -0.325 122.582 122.820 0.144 0.000 1.930 460 A HA -0.226 4.091 4.320 -0.005 0.000 0.217 460 A C 2.250 179.939 177.584 0.175 0.000 1.175 460 A CA 1.310 53.420 52.037 0.122 0.000 0.627 460 A CB -0.480 18.559 19.000 0.066 0.000 0.815 460 A HN 0.442 nan 8.150 nan 0.000 0.443 461 Q N -1.502 118.440 119.800 0.236 0.000 2.020 461 Q HA -0.206 4.131 4.340 -0.005 0.000 0.202 461 Q C 2.041 178.334 176.000 0.489 0.000 0.982 461 Q CA 1.471 57.483 55.803 0.350 0.000 0.838 461 Q CB -0.284 28.675 28.738 0.367 0.000 0.899 461 Q HN 0.890 nan 8.270 nan 0.000 0.423 462 W N 1.919 123.373 121.300 0.257 0.000 2.302 462 W HA -0.274 4.384 4.660 -0.004 0.000 0.320 462 W C 1.662 178.128 176.519 -0.087 0.000 1.241 462 W CA 1.612 58.900 57.345 -0.094 0.000 1.264 462 W CB -0.141 29.282 29.460 -0.061 0.000 1.154 462 W HN 0.108 nan 8.180 nan 0.000 0.483 463 K N -0.239 120.343 120.400 0.302 0.000 2.062 463 K HA -0.080 4.237 4.320 -0.005 0.000 0.205 463 K C 2.106 178.766 176.600 0.101 0.000 1.051 463 K CA 1.365 57.757 56.287 0.175 0.000 0.941 463 K CB -0.856 31.718 32.500 0.124 0.000 0.719 463 K HN 0.113 nan 8.250 nan 0.000 0.440 464 A N 0.538 123.425 122.820 0.111 0.000 2.172 464 A HA -0.074 4.243 4.320 -0.005 0.000 0.216 464 A C 1.814 179.439 177.584 0.068 0.000 1.154 464 A CA 1.132 53.218 52.037 0.082 0.000 0.701 464 A CB -0.215 18.837 19.000 0.086 0.000 0.789 464 A HN 0.195 nan 8.150 nan 0.000 0.465 465 M N -1.413 118.223 119.600 0.060 0.000 2.404 465 M HA 0.246 4.723 4.480 -0.005 0.000 0.271 465 M C 0.399 176.643 176.300 -0.093 0.000 1.128 465 M CA -0.019 55.278 55.300 -0.004 0.000 0.982 465 M CB -0.335 32.285 32.600 0.034 0.000 1.445 465 M HN 0.501 nan 8.290 nan 0.000 0.495 466 N N 0.834 119.502 118.700 -0.054 0.000 2.707 466 N HA -0.177 4.560 4.740 -0.005 0.000 0.253 466 N C -1.016 174.419 175.510 -0.126 0.000 0.998 466 N CA -0.025 52.998 53.050 -0.045 0.000 0.751 466 N CB -0.529 37.946 38.487 -0.020 0.000 0.920 466 N HN 0.387 nan 8.380 nan 0.000 0.539 467 L N -0.742 120.296 121.223 -0.308 0.000 2.466 467 L HA 0.175 4.512 4.340 -0.005 0.000 0.257 467 L C 1.202 177.983 176.870 -0.149 0.000 1.189 467 L CA -0.281 54.247 54.840 -0.519 0.000 0.813 467 L CB 0.492 41.725 42.059 -1.377 0.000 1.118 467 L HN 0.208 nan 8.230 nan 0.000 0.471 468 D N -0.225 120.093 120.400 -0.136 0.000 2.455 468 D HA 0.184 4.821 4.640 -0.005 0.000 0.228 468 D C -0.113 176.273 176.300 0.143 0.000 1.070 468 D CA 0.719 54.759 54.000 0.067 0.000 0.881 468 D CB 1.701 42.488 40.800 -0.022 0.000 1.087 468 D HN 0.159 nan 8.370 nan 0.000 0.498 469 V N 0.767 120.592 119.914 -0.149 0.000 3.216 469 V HA 0.387 4.504 4.120 -0.005 0.000 0.302 469 V C -1.961 173.846 176.094 -0.479 0.000 1.286 469 V CA -0.834 61.339 62.300 -0.212 0.000 1.048 469 V CB 3.304 34.783 31.823 -0.573 0.000 1.081 469 V HN -0.065 nan 8.190 nan 0.000 0.442 470 L N 3.793 124.877 121.223 -0.233 0.000 2.409 470 L HA 0.772 5.109 4.340 -0.005 0.000 0.272 470 L C -1.288 175.594 176.870 0.020 0.000 0.980 470 L CA -0.240 54.502 54.840 -0.164 0.000 0.826 470 L CB 1.575 43.644 42.059 0.016 0.000 1.268 470 L HN 0.656 nan 8.230 nan 0.000 0.407 471 L N 4.176 125.422 121.223 0.037 0.000 2.329 471 L HA 0.877 5.214 4.340 -0.005 0.000 0.279 471 L C -0.718 176.083 176.870 -0.114 0.000 1.014 471 L CA 0.455 55.365 54.840 0.115 0.000 0.814 471 L CB 2.110 44.319 42.059 0.249 0.000 1.257 471 L HN 0.726 nan 8.230 nan 0.000 0.424 472 T N 4.936 119.384 114.554 -0.177 0.000 3.041 472 T HA 0.468 4.815 4.350 -0.005 0.000 0.321 472 T C -2.864 171.707 174.700 -0.214 0.000 1.184 472 T CA -0.714 61.150 62.100 -0.393 0.000 1.050 472 T CB 2.118 70.845 68.868 -0.236 0.000 1.159 472 T HN 0.355 nan 8.240 nan 0.000 0.469 473 P HA 0.556 nan 4.420 nan 0.000 0.274 473 P C -0.966 176.130 177.300 -0.340 0.000 1.237 473 P CA -0.740 62.208 63.100 -0.252 0.000 0.793 473 P CB 0.501 32.021 31.700 -0.299 0.000 0.977 474 M N 2.159 121.586 119.600 -0.287 0.000 2.267 474 M HA 0.318 4.795 4.480 -0.005 0.000 0.289 474 M C -1.154 175.058 176.300 -0.146 0.000 1.043 474 M CA -0.958 54.216 55.300 -0.210 0.000 0.928 474 M CB 1.128 33.648 32.600 -0.133 0.000 1.613 474 M HN 0.134 nan 8.290 nan 0.000 0.450 475 L N 4.836 126.026 121.223 -0.054 0.000 2.769 475 L HA -0.004 4.333 4.340 -0.005 0.000 0.293 475 L C 0.855 177.887 176.870 0.270 0.000 1.224 475 L CA 1.425 56.364 54.840 0.165 0.000 0.906 475 L CB -0.365 41.919 42.059 0.376 0.000 1.193 475 L HN 1.076 nan 8.230 nan 0.000 0.488 476 G N 6.639 115.557 108.800 0.196 0.000 2.467 476 G HA2 0.103 4.060 3.960 -0.005 0.000 0.243 476 G HA3 0.103 4.060 3.960 -0.005 0.000 0.243 476 G C -2.370 172.592 174.900 0.103 0.000 1.521 476 G CA -0.429 44.734 45.100 0.104 0.000 1.055 476 G HN 0.617 nan 8.290 nan 0.000 0.553 477 P HA 0.277 nan 4.420 nan 0.000 0.269 477 P C -0.173 176.912 177.300 -0.357 0.000 1.215 477 P CA 0.017 63.029 63.100 -0.145 0.000 0.780 477 P CB 0.499 32.112 31.700 -0.145 0.000 0.898 478 A N 2.906 125.389 122.820 -0.562 0.000 2.540 478 A HA 0.125 4.442 4.320 -0.005 0.000 0.239 478 A C 0.463 177.623 177.584 -0.706 0.000 1.061 478 A CA -0.042 51.311 52.037 -1.139 0.000 0.758 478 A CB -0.741 17.831 19.000 -0.712 0.000 0.991 478 A HN 0.480 nan 8.150 nan 0.000 0.502 479 L N 1.963 122.741 121.223 -0.742 0.000 2.474 479 L HA 0.105 4.442 4.340 -0.005 0.000 0.259 479 L C 1.081 177.802 176.870 -0.248 0.000 1.232 479 L CA 0.527 55.169 54.840 -0.329 0.000 0.821 479 L CB 0.074 42.022 42.059 -0.185 0.000 1.108 479 L HN 0.727 nan 8.230 nan 0.000 0.495 480 D N -0.603 119.696 120.400 -0.168 0.000 2.325 480 D HA 0.027 4.664 4.640 -0.005 0.000 0.262 480 D C 1.065 177.292 176.300 -0.121 0.000 1.263 480 D CA -0.457 53.468 54.000 -0.125 0.000 1.020 480 D CB 0.303 41.046 40.800 -0.095 0.000 1.117 480 D HN 0.131 nan 8.370 nan 0.000 0.545 481 L N 0.636 121.805 121.223 -0.090 0.000 1.890 481 L HA -0.058 4.279 4.340 -0.005 0.000 0.219 481 L C 1.352 178.163 176.870 -0.099 0.000 1.104 481 L CA 1.477 56.269 54.840 -0.080 0.000 0.792 481 L CB -1.246 40.781 42.059 -0.054 0.000 0.887 481 L HN 0.297 nan 8.230 nan 0.000 0.432 482 N N -0.025 118.626 118.700 -0.082 0.000 2.441 482 N HA -0.014 4.723 4.740 -0.005 0.000 0.225 482 N C 0.993 176.436 175.510 -0.112 0.000 1.208 482 N CA 0.648 53.646 53.050 -0.087 0.000 0.847 482 N CB 0.153 38.608 38.487 -0.053 0.000 1.121 482 N HN 0.566 nan 8.380 nan 0.000 0.479 483 T N -2.928 111.535 114.554 -0.151 0.000 3.040 483 T HA 0.122 4.469 4.350 -0.005 0.000 0.252 483 T C -0.997 173.548 174.700 -0.260 0.000 1.064 483 T CA -0.004 62.003 62.100 -0.156 0.000 1.110 483 T CB -0.689 68.107 68.868 -0.121 0.000 0.921 483 T HN -0.027 nan 8.240 nan 0.000 0.480 484 P HA -0.033 nan 4.420 nan 0.000 0.218 484 P C 1.885 178.841 177.300 -0.573 0.000 1.146 484 P CA 1.412 63.906 63.100 -1.010 0.000 0.813 484 P CB -0.654 30.062 31.700 -1.640 0.000 0.778 485 G N 0.553 109.161 108.800 -0.320 0.000 2.422 485 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.218 485 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.218 485 G C 1.119 175.963 174.900 -0.094 0.000 1.146 485 G CA 0.357 45.367 45.100 -0.150 0.000 0.769 485 G HN 0.370 nan 8.290 nan 0.000 0.547 486 R N -0.251 120.197 120.500 -0.087 0.000 2.633 486 R HA 0.600 4.937 4.340 -0.005 0.000 0.348 486 R C 0.556 176.855 176.300 -0.002 0.000 1.100 486 R CA 0.379 56.491 56.100 0.019 0.000 1.068 486 R CB 0.489 30.827 30.300 0.064 0.000 1.351 486 R HN 0.170 nan 8.270 nan 0.000 0.575 487 A N 0.489 123.186 122.820 -0.206 0.000 2.610 487 A HA 0.212 4.529 4.320 -0.005 0.000 0.290 487 A C 0.987 178.254 177.584 -0.527 0.000 1.001 487 A CA -0.460 51.437 52.037 -0.234 0.000 1.004 487 A CB 0.253 19.259 19.000 0.011 0.000 1.220 487 A HN 0.124 nan 8.150 nan 0.000 0.507 488 T N -0.172 113.683 114.554 -1.165 0.000 2.778 488 T HA -0.161 4.186 4.350 -0.005 0.000 0.269 488 T C 1.795 175.942 174.700 -0.921 0.000 1.050 488 T CA 2.066 63.544 62.100 -1.037 0.000 1.137 488 T CB -0.094 67.976 68.868 -1.329 0.000 0.860 488 T HN 0.626 nan 8.240 nan 0.000 0.468 489 G N 0.124 108.221 108.800 -1.171 0.000 2.920 489 G HA2 0.288 4.245 3.960 -0.005 0.000 0.208 489 G HA3 0.288 4.245 3.960 -0.005 0.000 0.208 489 G C 1.406 176.294 174.900 -0.021 0.000 1.159 489 G CA 0.473 45.360 45.100 -0.355 0.000 0.784 489 G HN 0.567 nan 8.290 nan 0.000 0.535 490 A N 1.042 123.833 122.820 -0.049 0.000 2.169 490 A HA 0.181 4.498 4.320 -0.005 0.000 0.212 490 A C 2.117 179.742 177.584 0.068 0.000 1.153 490 A CA 0.736 52.830 52.037 0.095 0.000 0.756 490 A CB -0.287 18.806 19.000 0.155 0.000 0.813 490 A HN 0.718 nan 8.150 nan 0.000 0.471 491 I N -1.275 119.262 120.570 -0.054 0.000 3.334 491 I HA -0.085 4.082 4.170 -0.005 0.000 0.282 491 I C 1.973 178.065 176.117 -0.041 0.000 1.313 491 I CA 1.248 62.580 61.300 0.052 0.000 1.396 491 I CB -0.379 37.629 38.000 0.013 0.000 1.054 491 I HN 0.253 nan 8.210 nan 0.000 0.495 492 S N 1.406 117.049 115.700 -0.094 0.000 2.392 492 S HA -0.297 4.171 4.470 -0.005 0.000 0.232 492 S C 1.859 176.320 174.600 -0.232 0.000 1.041 492 S CA 1.455 59.511 58.200 -0.239 0.000 1.026 492 S CB -1.078 61.965 63.200 -0.261 0.000 0.845 492 S HN 0.680 nan 8.310 nan 0.000 0.465 493 Y N 2.867 123.192 120.300 0.043 0.000 2.242 493 Y HA -0.017 4.529 4.550 -0.006 0.000 0.291 493 Y C 3.200 179.147 175.900 0.078 0.000 1.137 493 Y CA 1.442 59.602 58.100 0.100 0.000 1.181 493 Y CB -0.843 37.682 38.460 0.107 0.000 0.989 493 Y HN 0.627 nan 8.280 nan 0.000 0.527 494 T N -4.319 110.263 114.554 0.048 0.000 3.004 494 T HA -0.032 4.315 4.350 -0.005 0.000 0.243 494 T C 1.920 176.605 174.700 -0.026 0.000 1.020 494 T CA 0.677 62.747 62.100 -0.049 0.000 1.145 494 T CB -1.002 67.592 68.868 -0.456 0.000 0.876 494 T HN 0.076 nan 8.240 nan 0.000 0.449 495 V N 1.701 121.549 119.914 -0.110 0.000 2.688 495 V HA -0.034 4.083 4.120 -0.005 0.000 0.256 495 V C 2.350 178.323 176.094 -0.202 0.000 1.084 495 V CA 1.320 63.537 62.300 -0.138 0.000 1.103 495 V CB -0.739 30.994 31.823 -0.149 0.000 0.688 495 V HN 0.486 nan 8.190 nan 0.000 0.480 496 L N -0.566 120.483 121.223 -0.289 0.000 2.191 496 L HA -0.138 4.199 4.340 -0.005 0.000 0.212 496 L C 1.850 178.332 176.870 -0.646 0.000 1.103 496 L CA 2.112 56.646 54.840 -0.510 0.000 0.769 496 L CB -0.523 41.145 42.059 -0.652 0.000 0.908 496 L HN 0.495 nan 8.230 nan 0.000 0.438 497 Y N -1.489 118.755 120.300 -0.094 0.000 2.478 497 Y HA 0.146 4.693 4.550 -0.005 0.000 0.261 497 Y C 2.207 178.055 175.900 -0.088 0.000 1.127 497 Y CA 0.150 58.194 58.100 -0.093 0.000 1.288 497 Y CB -0.454 38.008 38.460 0.002 0.000 1.084 497 Y HN 0.263 nan 8.280 nan 0.000 0.530 498 N N -0.983 117.703 118.700 -0.022 0.000 2.333 498 N HA -0.149 4.588 4.740 -0.005 0.000 0.178 498 N C 1.872 177.327 175.510 -0.091 0.000 1.018 498 N CA 1.112 54.133 53.050 -0.048 0.000 0.882 498 N CB -0.456 37.995 38.487 -0.060 0.000 0.984 498 N HN 0.343 nan 8.380 nan 0.000 0.434 499 C N 1.345 120.554 119.300 -0.151 0.000 2.432 499 C HA 0.043 4.500 4.460 -0.005 0.000 0.277 499 C C 2.631 177.533 174.990 -0.146 0.000 1.249 499 C CA 0.423 59.337 59.018 -0.172 0.000 1.725 499 C CB -1.115 26.475 27.740 -0.249 0.000 2.028 499 C HN 0.338 nan 8.230 nan 0.000 0.477 500 L N -0.071 121.019 121.223 -0.222 0.000 2.313 500 L HA 0.051 4.388 4.340 -0.005 0.000 0.214 500 L C 0.985 177.760 176.870 -0.158 0.000 1.119 500 L CA 1.399 56.048 54.840 -0.318 0.000 0.809 500 L CB -0.408 41.163 42.059 -0.812 0.000 0.933 500 L HN 0.354 nan 8.230 nan 0.000 0.449 501 D N -0.446 119.921 120.400 -0.055 0.000 2.723 501 D HA -0.237 4.400 4.640 -0.005 0.000 0.236 501 D C -0.234 176.177 176.300 0.185 0.000 1.138 501 D CA 0.568 54.584 54.000 0.026 0.000 0.676 501 D CB -1.175 39.604 40.800 -0.036 0.000 1.069 501 D HN 0.141 nan 8.370 nan 0.000 0.430 502 F N -0.604 119.334 119.950 -0.019 0.000 2.377 502 F HA 0.433 4.957 4.527 -0.005 0.000 0.328 502 F C -1.419 174.353 175.800 -0.047 0.000 1.094 502 F CA -2.618 55.351 58.000 -0.052 0.000 1.093 502 F CB 1.211 40.261 39.000 0.083 0.000 1.214 502 F HN -0.192 nan 8.300 nan 0.000 0.518 503 P HA 0.107 nan 4.420 nan 0.000 0.271 503 P C -1.341 175.997 177.300 0.064 0.000 1.226 503 P CA 0.062 63.192 63.100 0.050 0.000 0.765 503 P CB 0.733 32.443 31.700 0.017 0.000 0.835 504 A N 3.457 126.300 122.820 0.039 0.000 2.343 504 A HA 0.767 5.084 4.320 -0.005 0.000 0.308 504 A C -0.024 177.551 177.584 -0.016 0.000 1.092 504 A CA -0.477 51.549 52.037 -0.017 0.000 0.751 504 A CB 1.368 20.341 19.000 -0.044 0.000 1.203 504 A HN 0.537 nan 8.150 nan 0.000 0.452 505 G N -0.252 108.536 108.800 -0.019 0.000 2.630 505 G HA2 0.645 4.602 3.960 -0.005 0.000 0.296 505 G HA3 0.645 4.602 3.960 -0.005 0.000 0.296 505 G C -1.587 173.284 174.900 -0.049 0.000 1.285 505 G CA -0.702 44.386 45.100 -0.019 0.000 0.958 505 G HN 1.050 nan 8.290 nan 0.000 0.479 506 V N -0.245 119.637 119.914 -0.053 0.000 2.808 506 V HA 0.706 4.823 4.120 -0.005 0.000 0.308 506 V C -0.988 175.072 176.094 -0.057 0.000 1.099 506 V CA -0.677 61.581 62.300 -0.069 0.000 0.920 506 V CB 1.952 33.726 31.823 -0.082 0.000 1.014 506 V HN 1.019 nan 8.190 nan 0.000 0.425 507 V N 7.182 127.054 119.914 -0.071 0.000 2.711 507 V HA 0.752 4.869 4.120 -0.005 0.000 0.304 507 V C -2.756 173.302 176.094 -0.059 0.000 1.097 507 V CA -1.936 60.326 62.300 -0.063 0.000 0.906 507 V CB 3.041 34.806 31.823 -0.095 0.000 1.015 507 V HN 0.761 nan 8.190 nan 0.000 0.427 508 P HA 0.324 nan 4.420 nan 0.000 0.286 508 P C 0.263 177.541 177.300 -0.035 0.000 1.269 508 P CA 0.090 63.171 63.100 -0.032 0.000 0.787 508 P CB 1.703 33.400 31.700 -0.006 0.000 0.920 509 V N 0.220 120.106 119.914 -0.047 0.000 3.473 509 V HA 0.331 4.448 4.120 -0.005 0.000 0.253 509 V C 0.562 176.634 176.094 -0.037 0.000 1.340 509 V CA 0.658 62.930 62.300 -0.046 0.000 1.103 509 V CB 0.328 32.114 31.823 -0.061 0.000 0.881 509 V HN 0.590 nan 8.190 nan 0.000 0.451 510 T N 0.698 115.225 114.554 -0.045 0.000 2.816 510 T HA 0.611 4.958 4.350 -0.005 0.000 0.299 510 T C -0.568 174.091 174.700 -0.069 0.000 1.230 510 T CA 0.520 62.594 62.100 -0.043 0.000 1.007 510 T CB 1.968 70.815 68.868 -0.036 0.000 1.289 510 T HN 0.841 nan 8.240 nan 0.000 0.508 511 T N -0.350 114.166 114.554 -0.063 0.000 2.932 511 T HA 0.691 5.038 4.350 -0.005 0.000 0.289 511 T C -0.394 174.266 174.700 -0.067 0.000 1.039 511 T CA -0.634 61.408 62.100 -0.096 0.000 1.024 511 T CB 1.062 69.880 68.868 -0.084 0.000 1.090 511 T HN 0.460 nan 8.240 nan 0.000 0.496 512 V N 4.043 123.909 119.914 -0.081 0.000 2.479 512 V HA 0.292 4.409 4.120 -0.005 0.000 0.281 512 V C 1.553 177.628 176.094 -0.031 0.000 1.031 512 V CA -0.103 62.163 62.300 -0.056 0.000 1.038 512 V CB 0.038 31.819 31.823 -0.070 0.000 0.981 512 V HN 1.208 nan 8.190 nan 0.000 0.478 513 T N 2.946 117.489 114.554 -0.019 0.000 2.732 513 T HA 0.458 4.805 4.350 -0.005 0.000 0.287 513 T C 1.442 176.138 174.700 -0.007 0.000 0.993 513 T CA 0.019 62.115 62.100 -0.008 0.000 0.966 513 T CB 1.169 70.036 68.868 -0.003 0.000 1.047 513 T HN 0.699 nan 8.240 nan 0.000 0.527 514 A N 0.318 123.137 122.820 -0.001 0.000 1.902 514 A HA 0.105 4.422 4.320 -0.005 0.000 0.217 514 A C 2.643 180.227 177.584 0.001 0.000 1.181 514 A CA 2.038 54.075 52.037 -0.000 0.000 0.623 514 A CB -1.838 17.164 19.000 0.003 0.000 0.818 514 A HN 1.141 nan 8.150 nan 0.000 0.443 515 E N 0.157 120.359 120.200 0.003 0.000 2.150 515 E HA -0.212 4.136 4.350 -0.005 0.000 0.193 515 E C 1.624 178.229 176.600 0.008 0.000 0.985 515 E CA 1.384 57.789 56.400 0.007 0.000 0.814 515 E CB -0.803 28.902 29.700 0.009 0.000 0.752 515 E HN 0.690 nan 8.360 nan 0.000 0.466 516 D N 0.150 120.552 120.400 0.003 0.000 2.178 516 D HA -0.100 4.537 4.640 -0.005 0.000 0.202 516 D C 1.321 177.619 176.300 -0.003 0.000 0.974 516 D CA 1.563 55.565 54.000 0.003 0.000 0.841 516 D CB -0.203 40.593 40.800 -0.007 0.000 0.953 516 D HN 0.474 nan 8.370 nan 0.000 0.478 517 D N -0.112 120.282 120.400 -0.010 0.000 2.249 517 D HA 0.050 4.687 4.640 -0.005 0.000 0.205 517 D C 2.008 178.304 176.300 -0.006 0.000 0.962 517 D CA 0.707 54.697 54.000 -0.017 0.000 0.860 517 D CB 0.212 40.999 40.800 -0.022 0.000 0.955 517 D HN 0.048 nan 8.370 nan 0.000 0.505 518 A N 0.141 122.963 122.820 0.002 0.000 1.902 518 A HA -0.148 4.169 4.320 -0.005 0.000 0.217 518 A C 2.255 179.851 177.584 0.019 0.000 1.181 518 A CA 2.169 54.212 52.037 0.009 0.000 0.623 518 A CB -1.274 17.732 19.000 0.010 0.000 0.818 518 A HN 0.321 nan 8.150 nan 0.000 0.443 519 Q N -1.575 118.240 119.800 0.025 0.000 2.515 519 Q HA 0.240 4.577 4.340 -0.005 0.000 0.212 519 Q C 1.700 177.739 176.000 0.065 0.000 0.970 519 Q CA 1.444 57.273 55.803 0.044 0.000 0.941 519 Q CB -0.815 27.950 28.738 0.046 0.000 0.998 519 Q HN 0.579 nan 8.270 nan 0.000 0.518 520 M N 0.666 120.289 119.600 0.039 0.000 2.394 520 M HA 0.053 4.530 4.480 -0.005 0.000 0.264 520 M C 2.037 178.369 176.300 0.054 0.000 1.073 520 M CA 1.471 56.787 55.300 0.027 0.000 1.111 520 M CB -0.122 32.457 32.600 -0.035 0.000 1.401 520 M HN 0.634 nan 8.290 nan 0.000 0.448 521 E N -0.868 119.361 120.200 0.048 0.000 2.479 521 E HA 0.382 4.729 4.350 -0.005 0.000 0.193 521 E C 1.659 178.298 176.600 0.066 0.000 1.049 521 E CA 0.889 57.319 56.400 0.051 0.000 0.870 521 E CB -1.273 28.444 29.700 0.028 0.000 0.944 521 E HN 0.553 nan 8.360 nan 0.000 0.492 522 L N -1.325 119.946 121.223 0.079 0.000 2.607 522 L HA 0.546 4.883 4.340 -0.005 0.000 0.228 522 L C 1.272 178.195 176.870 0.088 0.000 1.123 522 L CA 0.022 54.903 54.840 0.068 0.000 0.890 522 L CB -1.315 40.774 42.059 0.049 0.000 1.103 522 L HN 0.543 nan 8.230 nan 0.000 0.468 523 Y N 2.090 122.387 120.300 -0.006 0.000 2.511 523 Y HA 0.423 4.972 4.550 -0.002 0.000 0.332 523 Y C 0.437 176.325 175.900 -0.019 0.000 1.177 523 Y CA 0.633 58.724 58.100 -0.015 0.000 1.422 523 Y CB 0.279 38.733 38.460 -0.010 0.000 1.271 523 Y HN 0.387 nan 8.280 nan 0.000 0.550 524 K N 3.976 124.105 120.400 -0.451 0.000 2.589 524 K HA 0.585 4.902 4.320 -0.005 0.000 0.253 524 K C -0.219 176.018 176.600 -0.606 0.000 0.974 524 K CA -0.306 55.775 56.287 -0.343 0.000 0.835 524 K CB 0.487 32.904 32.500 -0.138 0.000 1.272 524 K HN 1.128 nan 8.250 nan 0.000 0.444 525 G N -0.189 108.329 108.800 -0.470 0.000 2.611 525 G HA2 0.416 4.373 3.960 -0.005 0.000 0.273 525 G HA3 0.416 4.373 3.960 -0.005 0.000 0.273 525 G C 0.188 174.894 174.900 -0.325 0.000 1.305 525 G CA -0.019 44.809 45.100 -0.454 0.000 1.010 525 G HN 0.698 nan 8.290 nan 0.000 0.509 526 Y N -1.300 118.977 120.300 -0.037 0.000 2.529 526 Y HA 0.252 4.799 4.550 -0.006 0.000 0.290 526 Y C 1.411 177.019 175.900 -0.487 0.000 1.177 526 Y CA 0.224 58.183 58.100 -0.234 0.000 1.305 526 Y CB -0.047 38.248 38.460 -0.275 0.000 1.047 526 Y HN 0.379 nan 8.280 nan 0.000 0.522 527 F N -2.532 117.436 119.950 0.031 0.000 2.835 527 F HA 0.336 4.863 4.527 0.000 0.000 0.341 527 F C 1.957 177.772 175.800 0.025 0.000 0.940 527 F CA 0.265 58.272 58.000 0.011 0.000 1.125 527 F CB 0.177 39.150 39.000 -0.045 0.000 0.974 527 F HN -0.117 nan 8.300 nan 0.000 0.601 528 G N 1.911 110.812 108.800 0.168 0.000 2.244 528 G HA2 -0.350 3.607 3.960 -0.005 0.000 0.274 528 G HA3 -0.350 3.607 3.960 -0.005 0.000 0.274 528 G C -0.103 174.842 174.900 0.076 0.000 1.002 528 G CA 0.834 45.999 45.100 0.107 0.000 0.740 528 G HN 0.464 nan 8.290 nan 0.000 0.516 529 D N -0.509 119.893 120.400 0.002 0.000 2.414 529 D HA 0.322 4.959 4.640 -0.005 0.000 0.251 529 D C 2.020 178.135 176.300 -0.308 0.000 1.252 529 D CA -0.454 53.328 54.000 -0.362 0.000 0.999 529 D CB 0.199 40.659 40.800 -0.567 0.000 1.093 529 D HN 0.389 nan 8.370 nan 0.000 0.515 530 I N -1.405 118.877 120.570 -0.480 0.000 2.700 530 I HA -0.133 4.034 4.170 -0.005 0.000 0.261 530 I C 0.511 176.619 176.117 -0.015 0.000 1.219 530 I CA 0.921 62.068 61.300 -0.255 0.000 1.463 530 I CB -0.726 37.102 38.000 -0.287 0.000 1.092 530 I HN 0.386 nan 8.210 nan 0.000 0.452 531 W N 1.802 123.037 121.300 -0.108 0.000 2.476 531 W HA -0.005 4.652 4.660 -0.005 0.000 0.281 531 W C 2.205 178.733 176.519 0.015 0.000 1.230 531 W CA 0.356 57.668 57.345 -0.054 0.000 1.287 531 W CB -1.228 28.185 29.460 -0.078 0.000 1.108 531 W HN 0.253 nan 8.180 nan 0.000 0.567 532 D N 0.244 120.785 120.400 0.235 0.000 2.178 532 D HA -0.120 4.517 4.640 -0.005 0.000 0.202 532 D C 2.108 178.526 176.300 0.197 0.000 0.974 532 D CA 1.062 55.203 54.000 0.235 0.000 0.841 532 D CB 0.026 40.933 40.800 0.178 0.000 0.953 532 D HN 0.037 nan 8.370 nan 0.000 0.478 533 I N 0.693 121.329 120.570 0.111 0.000 2.286 533 I HA -0.145 4.022 4.170 -0.005 0.000 0.245 533 I C 2.512 178.669 176.117 0.067 0.000 1.104 533 I CA 0.577 61.922 61.300 0.075 0.000 1.397 533 I CB -0.887 37.126 38.000 0.021 0.000 1.072 533 I HN -0.042 nan 8.210 nan 0.000 0.417 534 I N 0.139 120.757 120.570 0.079 0.000 2.315 534 I HA -0.259 3.908 4.170 -0.005 0.000 0.248 534 I C 2.414 178.544 176.117 0.021 0.000 1.117 534 I CA 0.917 62.248 61.300 0.052 0.000 1.404 534 I CB -0.133 37.910 38.000 0.071 0.000 1.071 534 I HN 0.090 nan 8.210 nan 0.000 0.419 535 L N 0.455 121.704 121.223 0.045 0.000 2.056 535 L HA -0.219 4.118 4.340 -0.005 0.000 0.207 535 L C 2.411 179.162 176.870 -0.199 0.000 1.078 535 L CA 1.771 56.590 54.840 -0.036 0.000 0.749 535 L CB -0.652 41.426 42.059 0.032 0.000 0.901 535 L HN 0.106 nan 8.230 nan 0.000 0.433 536 K N -0.306 119.986 120.400 -0.181 0.000 2.015 536 K HA -0.307 4.010 4.320 -0.005 0.000 0.216 536 K C 2.272 178.797 176.600 -0.126 0.000 1.052 536 K CA 2.591 58.761 56.287 -0.194 0.000 0.937 536 K CB -0.137 32.392 32.500 0.048 0.000 0.719 536 K HN 0.332 nan 8.250 nan 0.000 0.446 537 K N 0.084 120.446 120.400 -0.064 0.000 2.097 537 K HA 0.014 4.331 4.320 -0.005 0.000 0.205 537 K C 2.021 178.576 176.600 -0.077 0.000 1.050 537 K CA 1.520 57.774 56.287 -0.055 0.000 0.938 537 K CB -0.888 31.594 32.500 -0.030 0.000 0.718 537 K HN 0.421 nan 8.250 nan 0.000 0.442 538 A N 0.232 123.000 122.820 -0.086 0.000 2.014 538 A HA 0.146 4.463 4.320 -0.005 0.000 0.218 538 A C 2.284 179.789 177.584 -0.131 0.000 1.163 538 A CA 1.431 53.409 52.037 -0.099 0.000 0.652 538 A CB -0.175 18.774 19.000 -0.085 0.000 0.808 538 A HN 0.492 nan 8.150 nan 0.000 0.449 539 M N -0.254 119.254 119.600 -0.152 0.000 2.502 539 M HA 0.076 4.553 4.480 -0.005 0.000 0.243 539 M C 1.121 177.335 176.300 -0.145 0.000 1.130 539 M CA 0.529 55.728 55.300 -0.169 0.000 1.055 539 M CB -0.292 32.186 32.600 -0.204 0.000 1.457 539 M HN 0.375 nan 8.290 nan 0.000 0.488 540 K N 1.104 121.431 120.400 -0.122 0.000 2.107 540 K HA 0.250 4.567 4.320 -0.005 0.000 0.251 540 K C 0.470 177.024 176.600 -0.076 0.000 1.012 540 K CA -0.209 56.025 56.287 -0.088 0.000 0.920 540 K CB 0.014 32.474 32.500 -0.068 0.000 1.033 540 K HN 0.370 nan 8.250 nan 0.000 0.478 541 N N -0.532 118.133 118.700 -0.057 0.000 2.753 541 N HA -0.147 4.590 4.740 -0.005 0.000 0.252 541 N C -0.280 175.198 175.510 -0.054 0.000 1.071 541 N CA 1.204 54.226 53.050 -0.047 0.000 0.690 541 N CB -1.476 36.987 38.487 -0.041 0.000 0.906 541 N HN 0.545 nan 8.380 nan 0.000 0.552 542 S N -0.904 114.761 115.700 -0.058 0.000 2.937 542 S HA 0.226 4.693 4.470 -0.005 0.000 0.252 542 S C -0.237 174.324 174.600 -0.065 0.000 1.022 542 S CA -0.075 58.079 58.200 -0.077 0.000 1.079 542 S CB 0.437 63.573 63.200 -0.107 0.000 1.035 542 S HN 0.317 nan 8.310 nan 0.000 0.594 543 V N 1.946 121.838 119.914 -0.037 0.000 2.493 543 V HA 0.397 4.514 4.120 -0.005 0.000 0.292 543 V C 1.566 177.652 176.094 -0.014 0.000 1.016 543 V CA 0.806 63.091 62.300 -0.024 0.000 1.097 543 V CB -0.358 31.461 31.823 -0.007 0.000 0.947 543 V HN 0.599 nan 8.190 nan 0.000 0.479 544 G N 3.681 112.462 108.800 -0.031 0.000 2.176 544 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.253 544 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.253 544 G C 0.070 174.904 174.900 -0.110 0.000 0.979 544 G CA -0.062 45.026 45.100 -0.019 0.000 0.641 544 G HN 0.573 nan 8.290 nan 0.000 0.530 545 L N 2.053 123.162 121.223 -0.190 0.000 2.439 545 L HA 0.284 4.621 4.340 -0.005 0.000 0.269 545 L C -1.306 175.284 176.870 -0.467 0.000 1.179 545 L CA -1.392 53.196 54.840 -0.419 0.000 0.828 545 L CB 0.425 42.306 42.059 -0.296 0.000 1.106 545 L HN 0.020 nan 8.230 nan 0.000 0.467 546 P HA 0.101 nan 4.420 nan 0.000 0.271 546 P C -0.786 176.386 177.300 -0.213 0.000 1.216 546 P CA -0.112 62.730 63.100 -0.431 0.000 0.771 546 P CB 1.058 32.463 31.700 -0.492 0.000 0.864 547 V N 2.344 122.179 119.914 -0.131 0.000 2.667 547 V HA 0.785 4.902 4.120 -0.005 0.000 0.308 547 V C 0.545 176.607 176.094 -0.055 0.000 1.048 547 V CA -0.687 61.575 62.300 -0.063 0.000 0.928 547 V CB 1.435 33.225 31.823 -0.055 0.000 1.004 547 V HN 0.813 nan 8.190 nan 0.000 0.444 548 A N 2.576 125.374 122.820 -0.037 0.000 2.443 548 A HA 0.968 5.285 4.320 -0.005 0.000 0.278 548 A C -1.100 176.441 177.584 -0.071 0.000 1.252 548 A CA -0.737 51.269 52.037 -0.052 0.000 0.816 548 A CB 2.023 20.997 19.000 -0.043 0.000 1.369 548 A HN 0.774 nan 8.150 nan 0.000 0.446 549 V N -0.413 119.450 119.914 -0.085 0.000 2.914 549 V HA 0.531 4.648 4.120 -0.005 0.000 0.314 549 V C -0.635 175.397 176.094 -0.103 0.000 1.084 549 V CA -0.494 61.747 62.300 -0.099 0.000 0.963 549 V CB 1.929 33.692 31.823 -0.100 0.000 1.025 549 V HN 0.994 nan 8.190 nan 0.000 0.432 550 Q N 2.398 122.139 119.800 -0.098 0.000 2.245 550 Q HA 0.556 4.893 4.340 -0.005 0.000 0.256 550 Q C -1.595 174.382 176.000 -0.038 0.000 0.942 550 Q CA -0.490 55.260 55.803 -0.087 0.000 0.896 550 Q CB 1.658 30.340 28.738 -0.094 0.000 1.272 550 Q HN 0.817 nan 8.270 nan 0.000 0.442 551 C N 3.148 122.444 119.300 -0.007 0.000 2.340 551 C HA 0.667 5.124 4.460 -0.005 0.000 0.323 551 C C -0.650 174.400 174.990 0.100 0.000 1.260 551 C CA -0.728 58.381 59.018 0.152 0.000 1.464 551 C CB 0.802 28.630 27.740 0.147 0.000 2.156 551 C HN 0.591 nan 8.230 nan 0.000 0.476 552 V N 3.179 123.167 119.914 0.124 0.000 2.604 552 V HA 0.876 4.993 4.120 -0.005 0.000 0.305 552 V C 0.316 176.573 176.094 0.272 0.000 1.043 552 V CA -0.034 62.331 62.300 0.108 0.000 0.888 552 V CB 1.795 33.594 31.823 -0.039 0.000 0.995 552 V HN 1.078 nan 8.190 nan 0.000 0.429 553 A N 4.226 127.135 122.820 0.148 0.000 2.347 553 A HA 0.907 5.224 4.320 -0.005 0.000 0.301 553 A C -0.569 176.684 177.584 -0.552 0.000 1.163 553 A CA -0.851 51.193 52.037 0.012 0.000 0.860 553 A CB 0.853 19.853 19.000 -0.001 0.000 1.367 553 A HN 0.739 nan 8.150 nan 0.000 0.461 554 L N 0.749 121.399 121.223 -0.956 0.000 2.482 554 L HA 0.208 4.545 4.340 -0.005 0.000 0.273 554 L C -2.005 174.415 176.870 -0.751 0.000 1.228 554 L CA -1.370 52.681 54.840 -1.315 0.000 0.827 554 L CB 0.164 41.571 42.059 -1.086 0.000 1.099 554 L HN 0.393 nan 8.230 nan 0.000 0.494 555 P HA -0.116 nan 4.420 nan 0.000 0.262 555 P C -0.817 176.256 177.300 -0.379 0.000 1.182 555 P CA 0.574 63.342 63.100 -0.553 0.000 0.761 555 P CB 0.077 31.451 31.700 -0.543 0.000 0.795 556 W N 0.538 121.789 121.300 -0.081 0.000 1.440 556 W HA -0.180 4.477 4.660 -0.004 0.000 0.242 556 W C 0.500 176.985 176.519 -0.056 0.000 0.991 556 W CA -0.074 57.240 57.345 -0.052 0.000 0.407 556 W CB -1.964 27.462 29.460 -0.057 0.000 1.999 556 W HN 0.347 nan 8.180 nan 0.000 1.219 557 Q N 1.222 121.049 119.800 0.044 0.000 3.041 557 Q HA 0.159 4.497 4.340 -0.005 0.000 0.372 557 Q C 0.935 176.957 176.000 0.037 0.000 1.241 557 Q CA 0.478 56.292 55.803 0.018 0.000 1.010 557 Q CB 0.518 29.223 28.738 -0.054 0.000 1.467 557 Q HN 0.362 nan 8.270 nan 0.000 0.462 558 E N 1.102 121.353 120.200 0.086 0.000 2.107 558 E HA -0.182 4.165 4.350 -0.005 0.000 0.191 558 E C 1.722 178.408 176.600 0.143 0.000 0.982 558 E CA 1.138 57.609 56.400 0.118 0.000 0.809 558 E CB 0.311 30.111 29.700 0.167 0.000 0.756 558 E HN 0.466 nan 8.360 nan 0.000 0.459 559 E N 0.646 120.902 120.200 0.094 0.000 2.152 559 E HA -0.166 4.181 4.350 -0.005 0.000 0.192 559 E C 2.127 178.797 176.600 0.117 0.000 0.983 559 E CA 0.698 57.110 56.400 0.021 0.000 0.818 559 E CB -0.389 29.039 29.700 -0.453 0.000 0.758 559 E HN 0.256 nan 8.360 nan 0.000 0.467 560 L N 1.336 122.606 121.223 0.078 0.000 2.093 560 L HA -0.041 4.296 4.340 -0.005 0.000 0.208 560 L C 2.499 179.463 176.870 0.158 0.000 1.085 560 L CA 1.384 56.285 54.840 0.102 0.000 0.755 560 L CB -0.754 41.335 42.059 0.049 0.000 0.904 560 L HN 0.277 nan 8.230 nan 0.000 0.435 561 C N -0.518 118.870 119.300 0.148 0.000 2.413 561 C HA -0.172 4.285 4.460 -0.005 0.000 0.276 561 C C 2.774 177.903 174.990 0.232 0.000 1.236 561 C CA 1.197 60.328 59.018 0.188 0.000 1.735 561 C CB -1.093 26.726 27.740 0.132 0.000 2.031 561 C HN 0.636 nan 8.230 nan 0.000 0.474 562 L N 0.532 121.891 121.223 0.227 0.000 2.083 562 L HA -0.135 4.202 4.340 -0.005 0.000 0.209 562 L C 3.014 180.138 176.870 0.423 0.000 1.083 562 L CA 1.516 56.513 54.840 0.263 0.000 0.752 562 L CB -0.767 41.398 42.059 0.176 0.000 0.899 562 L HN 0.390 nan 8.230 nan 0.000 0.433 563 R N 0.195 120.964 120.500 0.449 0.000 2.091 563 R HA -0.249 4.088 4.340 -0.005 0.000 0.238 563 R C 2.329 178.766 176.300 0.229 0.000 1.136 563 R CA 1.984 58.252 56.100 0.281 0.000 0.959 563 R CB -0.649 29.762 30.300 0.186 0.000 0.856 563 R HN 0.364 nan 8.270 nan 0.000 0.437 564 F N 0.657 120.650 119.950 0.071 0.000 2.186 564 F HA -0.148 4.376 4.527 -0.005 0.000 0.299 564 F C 2.305 178.108 175.800 0.004 0.000 1.090 564 F CA 1.149 59.153 58.000 0.006 0.000 1.307 564 F CB 0.003 39.002 39.000 -0.001 0.000 1.019 564 F HN -0.019 nan 8.300 nan 0.000 0.489 565 M N -0.115 119.443 119.600 -0.070 0.000 2.159 565 M HA -0.201 4.276 4.480 -0.005 0.000 0.263 565 M C 2.324 178.577 176.300 -0.080 0.000 1.063 565 M CA 1.593 56.804 55.300 -0.149 0.000 1.110 565 M CB -0.473 32.115 32.600 -0.021 0.000 1.374 565 M HN 0.096 nan 8.290 nan 0.000 0.411 566 R N 0.429 120.955 120.500 0.044 0.000 2.081 566 R HA -0.204 4.133 4.340 -0.005 0.000 0.235 566 R C 1.990 178.279 176.300 -0.017 0.000 1.131 566 R CA 1.849 57.980 56.100 0.052 0.000 0.960 566 R CB -0.080 30.273 30.300 0.089 0.000 0.856 566 R HN 0.215 nan 8.270 nan 0.000 0.436 567 E N -0.128 120.050 120.200 -0.037 0.000 2.058 567 E HA -0.148 4.199 4.350 -0.005 0.000 0.194 567 E C 1.844 178.367 176.600 -0.129 0.000 0.997 567 E CA 1.649 58.015 56.400 -0.056 0.000 0.801 567 E CB -0.107 29.571 29.700 -0.036 0.000 0.746 567 E HN 0.167 nan 8.360 nan 0.000 0.450 568 V N 0.798 120.552 119.914 -0.267 0.000 2.358 568 V HA -0.213 3.904 4.120 -0.005 0.000 0.246 568 V C 2.413 178.410 176.094 -0.162 0.000 1.047 568 V CA 2.141 64.264 62.300 -0.296 0.000 1.035 568 V CB -0.522 30.985 31.823 -0.527 0.000 0.658 568 V HN 0.397 nan 8.190 nan 0.000 0.452 569 E N -0.395 119.731 120.200 -0.122 0.000 2.051 569 E HA -0.283 4.064 4.350 -0.005 0.000 0.192 569 E C 2.314 178.893 176.600 -0.035 0.000 0.991 569 E CA 1.430 57.793 56.400 -0.061 0.000 0.799 569 E CB -0.109 29.573 29.700 -0.031 0.000 0.748 569 E HN 0.547 nan 8.360 nan 0.000 0.449 570 Q N 0.315 120.098 119.800 -0.029 0.000 2.137 570 Q HA -0.089 4.248 4.340 -0.005 0.000 0.198 570 Q C 2.400 178.395 176.000 -0.009 0.000 0.960 570 Q CA 0.682 56.480 55.803 -0.009 0.000 0.847 570 Q CB 0.050 28.788 28.738 -0.000 0.000 0.915 570 Q HN 0.381 nan 8.270 nan 0.000 0.448 571 L N -0.171 121.040 121.223 -0.019 0.000 2.093 571 L HA -0.138 4.199 4.340 -0.005 0.000 0.208 571 L C 2.351 179.211 176.870 -0.017 0.000 1.085 571 L CA 0.749 55.582 54.840 -0.013 0.000 0.755 571 L CB -0.239 41.811 42.059 -0.015 0.000 0.904 571 L HN 0.207 nan 8.230 nan 0.000 0.435 572 M N -1.462 118.120 119.600 -0.030 0.000 2.510 572 M HA 0.125 4.602 4.480 -0.005 0.000 0.256 572 M C 0.555 176.847 176.300 -0.013 0.000 1.132 572 M CA 0.693 55.976 55.300 -0.028 0.000 1.105 572 M CB -0.302 32.270 32.600 -0.046 0.000 1.375 572 M HN 0.161 nan 8.290 nan 0.000 0.477 573 T N 0.000 114.550 114.554 -0.007 0.000 3.816 573 T HA 0.000 4.347 4.350 -0.005 0.000 0.228 573 T CA 0.000 62.104 62.100 0.007 0.000 1.349 573 T CB 0.000 68.876 68.868 0.013 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658