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_D 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 0.000 177.589 177.584 0.009 0.000 1.274 37 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 37 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 38 R N 1.157 121.670 120.500 0.021 0.000 2.363 38 R HA 0.501 4.841 4.340 -0.001 0.000 0.236 38 R C 1.613 178.002 176.300 0.148 0.000 0.966 38 R CA 1.254 57.395 56.100 0.069 0.000 1.100 38 R CB -1.441 28.902 30.300 0.072 0.000 1.125 38 R HN 1.150 nan 8.270 nan 0.000 0.514 39 G N -0.577 108.286 108.800 0.106 0.000 2.572 39 G HA2 0.165 4.124 3.960 -0.001 0.000 0.216 39 G HA3 0.165 4.124 3.960 -0.001 0.000 0.216 39 G C 1.384 176.299 174.900 0.024 0.000 1.133 39 G CA 0.579 45.727 45.100 0.079 0.000 0.791 39 G HN 0.746 nan 8.290 nan 0.000 0.538 40 A N 0.727 123.556 122.820 0.014 0.000 2.305 40 A HA 0.607 4.927 4.320 -0.001 0.000 0.236 40 A C 2.016 179.575 177.584 -0.041 0.000 1.392 40 A CA 0.871 52.901 52.037 -0.012 0.000 1.205 40 A CB -0.490 18.506 19.000 -0.007 0.000 0.881 40 A HN 0.483 nan 8.150 nan 0.000 0.558 41 A N -0.504 122.285 122.820 -0.052 0.000 2.169 41 A HA 0.073 4.392 4.320 -0.001 0.000 0.212 41 A C 2.176 179.671 177.584 -0.148 0.000 1.153 41 A CA 1.515 53.475 52.037 -0.129 0.000 0.756 41 A CB -0.609 18.321 19.000 -0.117 0.000 0.813 41 A HN 0.687 nan 8.150 nan 0.000 0.471 42 T N -2.656 111.846 114.554 -0.087 0.000 3.023 42 T HA -0.045 4.304 4.350 -0.001 0.000 0.266 42 T C 1.870 176.537 174.700 -0.057 0.000 1.093 42 T CA 1.017 63.075 62.100 -0.069 0.000 1.129 42 T CB -0.222 68.622 68.868 -0.039 0.000 0.899 42 T HN 0.426 nan 8.240 nan 0.000 0.491 43 R N 1.103 121.572 120.500 -0.052 0.000 2.115 43 R HA 0.186 4.525 4.340 -0.001 0.000 0.230 43 R C 2.521 178.799 176.300 -0.038 0.000 1.111 43 R CA 1.209 57.291 56.100 -0.030 0.000 0.976 43 R CB -0.536 29.753 30.300 -0.018 0.000 0.870 43 R HN 0.498 nan 8.270 nan 0.000 0.445 44 A N -0.099 122.649 122.820 -0.120 0.000 1.975 44 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 44 A C 2.044 179.527 177.584 -0.168 0.000 1.170 44 A CA 0.623 52.544 52.037 -0.193 0.000 0.656 44 A CB -0.229 18.436 19.000 -0.558 0.000 0.821 44 A HN 0.237 nan 8.150 nan 0.000 0.449 45 R N -0.171 120.224 120.500 -0.175 0.000 2.148 45 R HA -0.161 4.179 4.340 -0.001 0.000 0.223 45 R C 2.353 178.660 176.300 0.013 0.000 1.088 45 R CA 1.591 57.644 56.100 -0.079 0.000 0.985 45 R CB -0.090 30.155 30.300 -0.092 0.000 0.880 45 R HN 0.810 nan 8.270 nan 0.000 0.451 46 Q N -0.107 119.701 119.800 0.013 0.000 2.245 46 Q HA -0.063 4.276 4.340 -0.001 0.000 0.201 46 Q C 1.414 177.462 176.000 0.081 0.000 0.955 46 Q CA 1.235 57.064 55.803 0.043 0.000 0.870 46 Q CB 0.003 28.759 28.738 0.030 0.000 0.945 46 Q HN 0.051 nan 8.270 nan 0.000 0.461 47 K N 0.269 120.730 120.400 0.102 0.000 2.217 47 K HA -0.101 4.219 4.320 -0.001 0.000 0.202 47 K C 2.113 178.838 176.600 0.208 0.000 1.051 47 K CA 1.174 57.554 56.287 0.155 0.000 0.952 47 K CB 0.055 32.663 32.500 0.180 0.000 0.736 47 K HN 0.423 nan 8.250 nan 0.000 0.453 48 Q N 0.446 120.390 119.800 0.239 0.000 2.137 48 Q HA -0.149 4.190 4.340 -0.001 0.000 0.198 48 Q C 2.345 178.447 176.000 0.170 0.000 0.960 48 Q CA 1.322 57.275 55.803 0.251 0.000 0.847 48 Q CB 0.126 29.064 28.738 0.333 0.000 0.915 48 Q HN 0.231 nan 8.270 nan 0.000 0.448 49 R N 0.167 120.748 120.500 0.135 0.000 2.115 49 R HA 0.063 4.403 4.340 -0.001 0.000 0.230 49 R C 2.037 178.415 176.300 0.129 0.000 1.111 49 R CA 1.448 57.619 56.100 0.118 0.000 0.976 49 R CB -1.289 29.063 30.300 0.087 0.000 0.870 49 R HN 0.456 nan 8.270 nan 0.000 0.445 50 A N -0.291 122.604 122.820 0.126 0.000 1.897 50 A HA -0.002 4.318 4.320 -0.001 0.000 0.215 50 A C 2.538 180.210 177.584 0.147 0.000 1.181 50 A CA 1.662 53.772 52.037 0.122 0.000 0.620 50 A CB -0.439 18.627 19.000 0.110 0.000 0.821 50 A HN 0.469 nan 8.150 nan 0.000 0.443 51 S N -0.897 114.910 115.700 0.177 0.000 2.428 51 S HA -0.017 4.452 4.470 -0.001 0.000 0.230 51 S C 1.685 176.403 174.600 0.196 0.000 1.014 51 S CA 0.956 59.288 58.200 0.220 0.000 0.957 51 S CB -0.250 63.094 63.200 0.241 0.000 0.784 51 S HN 0.388 nan 8.310 nan 0.000 0.499 52 L N 1.695 123.035 121.223 0.196 0.000 2.209 52 L HA 0.115 4.455 4.340 -0.001 0.000 0.207 52 L C 2.668 179.721 176.870 0.306 0.000 1.094 52 L CA 1.759 56.766 54.840 0.278 0.000 0.790 52 L CB -0.871 41.341 42.059 0.255 0.000 0.932 52 L HN 0.379 nan 8.230 nan 0.000 0.447 53 E N -1.269 119.044 120.200 0.188 0.000 2.106 53 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 53 E C 2.108 178.706 176.600 -0.003 0.000 0.984 53 E CA 1.787 58.246 56.400 0.099 0.000 0.806 53 E CB -1.327 28.426 29.700 0.089 0.000 0.750 53 E HN 0.521 nan 8.360 nan 0.000 0.458 54 T N 0.908 115.473 114.554 0.017 0.000 2.674 54 T HA -0.149 4.200 4.350 -0.001 0.000 0.265 54 T C 2.306 176.902 174.700 -0.173 0.000 1.039 54 T CA 2.255 64.346 62.100 -0.015 0.000 1.150 54 T CB -0.381 68.552 68.868 0.108 0.000 0.864 54 T HN 0.689 nan 8.240 nan 0.000 0.427 55 M N 1.142 120.529 119.600 -0.355 0.000 2.175 55 M HA 0.007 4.487 4.480 -0.001 0.000 0.264 55 M C 1.977 178.041 176.300 -0.392 0.000 1.063 55 M CA 1.912 56.898 55.300 -0.525 0.000 1.119 55 M CB -0.740 31.451 32.600 -0.681 0.000 1.377 55 M HN -0.000 nan 8.290 nan 0.000 0.415 56 D N 1.447 121.536 120.400 -0.517 0.000 2.117 56 D HA -0.124 4.515 4.640 -0.001 0.000 0.197 56 D C 2.353 178.370 176.300 -0.472 0.000 0.987 56 D CA 2.919 56.412 54.000 -0.845 0.000 0.829 56 D CB 0.066 40.201 40.800 -1.109 0.000 0.961 56 D HN 0.456 nan 8.370 nan 0.000 0.460 57 K N 0.324 120.555 120.400 -0.282 0.000 2.097 57 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 57 K C 2.248 178.764 176.600 -0.140 0.000 1.049 57 K CA 1.591 57.775 56.287 -0.171 0.000 0.933 57 K CB -1.179 31.264 32.500 -0.095 0.000 0.717 57 K HN 0.304 nan 8.250 nan 0.000 0.442 58 A N 0.995 123.745 122.820 -0.117 0.000 2.119 58 A HA 0.132 4.451 4.320 -0.001 0.000 0.217 58 A C 2.462 179.978 177.584 -0.115 0.000 1.153 58 A CA 1.723 53.736 52.037 -0.040 0.000 0.692 58 A CB -0.553 18.539 19.000 0.154 0.000 0.799 58 A HN 0.937 nan 8.150 nan 0.000 0.458 59 V N -3.402 116.435 119.914 -0.128 0.000 2.878 59 V HA -0.066 4.054 4.120 -0.001 0.000 0.250 59 V C 1.760 177.799 176.094 -0.091 0.000 1.075 59 V CA 1.784 64.025 62.300 -0.099 0.000 1.096 59 V CB -0.558 31.203 31.823 -0.104 0.000 0.724 59 V HN 0.527 nan 8.190 nan 0.000 0.467 60 Q N 0.452 120.166 119.800 -0.144 0.000 2.376 60 Q HA 0.201 4.541 4.340 -0.001 0.000 0.206 60 Q C 2.389 178.323 176.000 -0.110 0.000 0.921 60 Q CA 0.936 56.664 55.803 -0.124 0.000 0.911 60 Q CB 0.053 28.700 28.738 -0.153 0.000 1.032 60 Q HN 0.760 nan 8.270 nan 0.000 0.510 61 R N -0.182 120.248 120.500 -0.116 0.000 2.328 61 R HA -0.012 4.327 4.340 -0.001 0.000 0.200 61 R C 1.039 177.258 176.300 -0.136 0.000 0.983 61 R CA 0.552 56.583 56.100 -0.114 0.000 1.062 61 R CB -0.896 29.347 30.300 -0.093 0.000 0.956 61 R HN 0.323 nan 8.270 nan 0.000 0.479 62 F N -0.590 119.164 119.950 -0.328 0.000 2.557 62 F HA 0.197 4.723 4.527 -0.001 0.000 0.278 62 F C 2.714 178.392 175.800 -0.205 0.000 1.051 62 F CA 0.961 58.745 58.000 -0.360 0.000 1.357 62 F CB 0.283 38.915 39.000 -0.613 0.000 1.104 62 F HN 0.246 nan 8.300 nan 0.000 0.654 63 R N 1.131 121.591 120.500 -0.067 0.000 2.115 63 R HA 0.077 4.416 4.340 -0.001 0.000 0.226 63 R C 2.170 178.375 176.300 -0.157 0.000 1.100 63 R CA 1.628 57.672 56.100 -0.092 0.000 0.980 63 R CB -2.151 28.139 30.300 -0.017 0.000 0.875 63 R HN 0.414 nan 8.270 nan 0.000 0.445 64 L N -0.287 120.846 121.223 -0.149 0.000 2.017 64 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 64 L C 2.925 179.689 176.870 -0.176 0.000 1.073 64 L CA 2.981 57.739 54.840 -0.137 0.000 0.745 64 L CB -1.973 40.020 42.059 -0.109 0.000 0.894 64 L HN 0.689 nan 8.230 nan 0.000 0.432 65 Q N -0.635 119.019 119.800 -0.243 0.000 2.291 65 Q HA -0.085 4.254 4.340 -0.001 0.000 0.205 65 Q C 1.258 177.055 176.000 -0.338 0.000 0.970 65 Q CA 1.478 57.118 55.803 -0.272 0.000 0.876 65 Q CB -0.785 27.780 28.738 -0.290 0.000 0.935 65 Q HN 0.929 nan 8.270 nan 0.000 0.455 66 N N -0.298 118.137 118.700 -0.442 0.000 2.752 66 N HA 0.272 5.012 4.740 -0.001 0.000 0.260 66 N C -2.434 172.932 175.510 -0.239 0.000 1.562 66 N CA -1.021 51.784 53.050 -0.410 0.000 0.788 66 N CB 1.955 39.999 38.487 -0.739 0.000 1.192 66 N HN 0.182 nan 8.380 nan 0.000 0.503 67 P HA 0.056 nan 4.420 nan 0.000 0.226 67 P C 0.869 178.131 177.300 -0.063 0.000 1.161 67 P CA 0.879 63.921 63.100 -0.097 0.000 0.804 67 P CB 0.186 31.836 31.700 -0.083 0.000 0.829 68 D N -0.404 119.959 120.400 -0.061 0.000 2.363 68 D HA 0.222 4.861 4.640 -0.001 0.000 0.220 68 D C 1.040 177.327 176.300 -0.022 0.000 0.994 68 D CA 0.476 54.454 54.000 -0.038 0.000 0.890 68 D CB -0.905 39.873 40.800 -0.036 0.000 0.906 68 D HN 0.265 nan 8.370 nan 0.000 0.530 69 L N 0.868 122.081 121.223 -0.018 0.000 2.360 69 L HA 0.534 4.873 4.340 -0.001 0.000 0.276 69 L C 0.418 177.296 176.870 0.013 0.000 1.121 69 L CA -0.508 54.339 54.840 0.011 0.000 0.845 69 L CB 0.516 42.604 42.059 0.047 0.000 1.143 69 L HN 0.176 nan 8.230 nan 0.000 0.452 70 D N 2.303 122.709 120.400 0.009 0.000 2.342 70 D HA 0.214 4.854 4.640 -0.001 0.000 0.260 70 D C 1.237 177.533 176.300 -0.006 0.000 1.278 70 D CA 0.776 54.776 54.000 -0.001 0.000 0.910 70 D CB 1.294 42.092 40.800 -0.003 0.000 1.079 70 D HN 0.640 nan 8.370 nan 0.000 0.496 71 S N 2.960 118.652 115.700 -0.012 0.000 2.345 71 S HA -0.127 4.342 4.470 -0.001 0.000 0.219 71 S C 1.658 176.216 174.600 -0.071 0.000 1.031 71 S CA 1.406 59.585 58.200 -0.036 0.000 0.984 71 S CB -0.003 63.180 63.200 -0.028 0.000 0.874 71 S HN 0.719 nan 8.310 nan 0.000 0.451 72 E N -0.140 120.027 120.200 -0.055 0.000 2.322 72 E HA 0.574 4.923 4.350 -0.001 0.000 0.195 72 E C 0.691 177.262 176.600 -0.048 0.000 1.198 72 E CA 0.588 56.952 56.400 -0.061 0.000 1.132 72 E CB -0.783 28.890 29.700 -0.046 0.000 1.213 72 E HN 0.541 nan 8.360 nan 0.000 0.450 73 A N -0.849 121.944 122.820 -0.046 0.000 2.480 73 A HA 0.357 4.676 4.320 -0.001 0.000 0.191 73 A C 1.691 179.259 177.584 -0.027 0.000 1.503 73 A CA 0.502 52.522 52.037 -0.028 0.000 1.110 73 A CB 0.140 19.132 19.000 -0.014 0.000 1.401 73 A HN 0.416 nan 8.150 nan 0.000 0.533 74 L N 0.961 122.158 121.223 -0.044 0.000 1.970 74 L HA -0.051 4.289 4.340 -0.001 0.000 0.212 74 L C 2.052 178.870 176.870 -0.087 0.000 1.071 74 L CA 2.319 57.128 54.840 -0.051 0.000 0.751 74 L CB -1.377 40.642 42.059 -0.067 0.000 0.889 74 L HN 0.444 nan 8.230 nan 0.000 0.432 75 L N -0.445 120.656 121.223 -0.203 0.000 2.265 75 L HA -0.132 4.208 4.340 -0.001 0.000 0.215 75 L C 2.070 178.903 176.870 -0.061 0.000 1.117 75 L CA 1.393 56.054 54.840 -0.299 0.000 0.782 75 L CB -1.105 40.689 42.059 -0.441 0.000 0.914 75 L HN 0.488 nan 8.230 nan 0.000 0.441 76 T N -3.278 111.257 114.554 -0.032 0.000 3.122 76 T HA 0.165 4.515 4.350 -0.001 0.000 0.250 76 T C 0.600 175.319 174.700 0.031 0.000 1.067 76 T CA -0.378 61.727 62.100 0.008 0.000 0.966 76 T CB -0.075 68.791 68.868 -0.004 0.000 1.002 76 T HN -0.135 nan 8.240 nan 0.000 0.542 77 L N 3.267 124.514 121.223 0.040 0.000 2.455 77 L HA 0.420 4.759 4.340 -0.001 0.000 0.272 77 L C -1.991 174.922 176.870 0.072 0.000 1.174 77 L CA -2.376 52.496 54.840 0.053 0.000 0.869 77 L CB 0.252 42.344 42.059 0.056 0.000 1.130 77 L HN 0.110 nan 8.230 nan 0.000 0.474 78 P HA -0.050 nan 4.420 nan 0.000 0.267 78 P C 0.903 178.234 177.300 0.052 0.000 1.201 78 P CA -0.356 62.777 63.100 0.055 0.000 0.775 78 P CB 0.559 32.286 31.700 0.045 0.000 0.854 79 L N 2.230 123.476 121.223 0.039 0.000 2.127 79 L HA -0.175 4.164 4.340 -0.001 0.000 0.211 79 L C 1.679 178.560 176.870 0.019 0.000 1.089 79 L CA 1.956 56.808 54.840 0.020 0.000 0.757 79 L CB -0.764 41.291 42.059 -0.007 0.000 0.899 79 L HN 0.277 nan 8.230 nan 0.000 0.434 80 L N -1.440 119.799 121.223 0.026 0.000 2.049 80 L HA -0.117 4.223 4.340 -0.001 0.000 0.203 80 L C 2.467 179.357 176.870 0.033 0.000 1.074 80 L CA 1.454 56.311 54.840 0.027 0.000 0.749 80 L CB -1.916 40.164 42.059 0.035 0.000 0.907 80 L HN 0.351 nan 8.230 nan 0.000 0.439 81 Q N -0.143 119.679 119.800 0.036 0.000 2.112 81 Q HA -0.256 4.083 4.340 -0.001 0.000 0.206 81 Q C 2.331 178.356 176.000 0.042 0.000 0.987 81 Q CA 1.810 57.636 55.803 0.038 0.000 0.858 81 Q CB -0.252 28.508 28.738 0.037 0.000 0.905 81 Q HN 0.347 nan 8.270 nan 0.000 0.420 82 L N -0.352 120.899 121.223 0.047 0.000 1.994 82 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 82 L C 2.193 179.092 176.870 0.048 0.000 1.071 82 L CA 1.509 56.382 54.840 0.054 0.000 0.745 82 L CB -0.717 41.385 42.059 0.071 0.000 0.892 82 L HN 0.036 nan 8.230 nan 0.000 0.431 83 V N -0.007 119.930 119.914 0.038 0.000 2.594 83 V HA -0.275 3.845 4.120 -0.001 0.000 0.253 83 V C 2.588 178.719 176.094 0.061 0.000 1.069 83 V CA 1.991 64.318 62.300 0.045 0.000 1.082 83 V CB -0.324 31.515 31.823 0.027 0.000 0.680 83 V HN 0.903 nan 8.190 nan 0.000 0.469 84 Q N -0.725 119.105 119.800 0.049 0.000 2.331 84 Q HA -0.088 4.251 4.340 -0.001 0.000 0.203 84 Q C 2.108 178.138 176.000 0.051 0.000 0.944 84 Q CA 1.477 57.308 55.803 0.047 0.000 0.892 84 Q CB -0.366 28.394 28.738 0.036 0.000 0.983 84 Q HN 0.478 nan 8.270 nan 0.000 0.482 85 K N -0.273 120.159 120.400 0.053 0.000 2.155 85 K HA -0.017 4.303 4.320 -0.001 0.000 0.203 85 K C 1.591 178.236 176.600 0.074 0.000 1.052 85 K CA 0.581 56.902 56.287 0.056 0.000 0.948 85 K CB 0.099 32.630 32.500 0.052 0.000 0.728 85 K HN 0.236 nan 8.250 nan 0.000 0.448 86 L N 0.921 122.199 121.223 0.091 0.000 2.072 86 L HA -0.142 4.198 4.340 -0.001 0.000 0.205 86 L C 2.327 179.303 176.870 0.177 0.000 1.079 86 L CA 1.688 56.614 54.840 0.143 0.000 0.752 86 L CB -0.930 41.217 42.059 0.147 0.000 0.906 86 L HN 0.182 nan 8.230 nan 0.000 0.436 87 Q N -0.106 119.769 119.800 0.124 0.000 2.167 87 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 87 Q C 2.311 178.333 176.000 0.037 0.000 0.970 87 Q CA 1.649 57.494 55.803 0.069 0.000 0.855 87 Q CB -0.167 28.598 28.738 0.044 0.000 0.911 87 Q HN 0.554 nan 8.270 nan 0.000 0.438 88 S N -1.707 114.021 115.700 0.046 0.000 2.603 88 S HA 0.162 4.632 4.470 -0.001 0.000 0.220 88 S C 1.352 175.976 174.600 0.041 0.000 0.967 88 S CA 0.558 58.779 58.200 0.034 0.000 0.920 88 S CB -0.236 62.983 63.200 0.032 0.000 0.773 88 S HN 0.568 nan 8.310 nan 0.000 0.529 89 G N 1.144 109.982 108.800 0.063 0.000 2.168 89 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.257 89 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.257 89 G C 0.451 175.391 174.900 0.066 0.000 0.997 89 G CA 0.592 45.736 45.100 0.073 0.000 0.708 89 G HN 0.610 nan 8.290 nan 0.000 0.520 90 E N -0.930 119.307 120.200 0.062 0.000 2.152 90 E HA 0.129 4.478 4.350 -0.001 0.000 0.192 90 E C 0.994 177.632 176.600 0.064 0.000 0.983 90 E CA 0.543 56.975 56.400 0.054 0.000 0.818 90 E CB -0.023 29.705 29.700 0.047 0.000 0.758 90 E HN 0.634 nan 8.360 nan 0.000 0.467 91 L N 1.027 122.296 121.223 0.077 0.000 2.362 91 L HA 0.349 4.689 4.340 -0.001 0.000 0.275 91 L C -0.268 176.662 176.870 0.101 0.000 0.998 91 L CA -1.032 53.859 54.840 0.086 0.000 0.820 91 L CB 2.099 44.204 42.059 0.076 0.000 1.270 91 L HN -0.111 nan 8.230 nan 0.000 0.415 92 S N 2.150 117.918 115.700 0.113 0.000 2.572 92 S HA 0.151 4.621 4.470 -0.001 0.000 0.279 92 S C -1.790 172.857 174.600 0.079 0.000 1.341 92 S CA -1.020 57.252 58.200 0.119 0.000 1.043 92 S CB 0.691 63.981 63.200 0.150 0.000 0.887 92 S HN 0.461 nan 8.310 nan 0.000 0.516 93 P HA -0.171 nan 4.420 nan 0.000 0.216 93 P C 1.027 178.312 177.300 -0.025 0.000 1.154 93 P CA 1.268 64.307 63.100 -0.102 0.000 0.865 93 P CB 0.043 31.622 31.700 -0.201 0.000 0.789 94 E N -0.471 119.777 120.200 0.079 0.000 2.085 94 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 94 E C 2.129 178.820 176.600 0.150 0.000 0.994 94 E CA 1.646 58.178 56.400 0.219 0.000 0.801 94 E CB -1.101 28.844 29.700 0.409 0.000 0.743 94 E HN 0.196 nan 8.360 nan 0.000 0.453 95 A N 0.648 123.596 122.820 0.213 0.000 1.873 95 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 95 A C 2.503 180.113 177.584 0.043 0.000 1.186 95 A CA 1.813 53.979 52.037 0.216 0.000 0.616 95 A CB -0.934 18.215 19.000 0.247 0.000 0.823 95 A HN 0.258 nan 8.150 nan 0.000 0.442 96 V N -3.273 116.663 119.914 0.037 0.000 2.667 96 V HA -0.090 4.029 4.120 -0.001 0.000 0.252 96 V C 2.198 178.290 176.094 -0.002 0.000 1.065 96 V CA 1.852 64.172 62.300 0.033 0.000 1.083 96 V CB -1.009 30.841 31.823 0.045 0.000 0.692 96 V HN 0.444 nan 8.190 nan 0.000 0.468 97 F N 0.989 120.772 119.950 -0.279 0.000 2.084 97 F HA 0.011 4.537 4.527 -0.001 0.000 0.296 97 F C 1.992 177.492 175.800 -0.500 0.000 1.111 97 F CA 2.046 59.757 58.000 -0.482 0.000 1.224 97 F CB -0.204 38.412 39.000 -0.639 0.000 0.991 97 F HN 0.144 nan 8.300 nan 0.000 0.471 98 F N 0.131 119.782 119.950 -0.499 0.000 2.456 98 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 98 F C 2.335 177.853 175.800 -0.469 0.000 1.104 98 F CA 1.216 58.806 58.000 -0.683 0.000 1.435 98 F CB -0.671 37.655 39.000 -1.124 0.000 1.078 98 F HN -0.100 nan 8.300 nan 0.000 0.546 99 T N -1.084 113.355 114.554 -0.192 0.000 2.777 99 T HA -0.211 4.139 4.350 -0.001 0.000 0.266 99 T C 1.541 176.092 174.700 -0.248 0.000 1.040 99 T CA 1.368 63.372 62.100 -0.160 0.000 1.141 99 T CB -0.494 68.281 68.868 -0.156 0.000 0.868 99 T HN 0.170 nan 8.240 nan 0.000 0.444 100 Y N 0.979 121.124 120.300 -0.258 0.000 2.220 100 Y HA 0.128 4.678 4.550 -0.001 0.000 0.291 100 Y C 2.252 178.008 175.900 -0.239 0.000 1.129 100 Y CA 0.295 58.231 58.100 -0.274 0.000 1.161 100 Y CB -0.483 37.718 38.460 -0.431 0.000 0.997 100 Y HN 0.098 nan 8.280 nan 0.000 0.522 101 L N -0.903 120.146 121.223 -0.290 0.000 2.127 101 L HA -0.231 4.108 4.340 -0.001 0.000 0.211 101 L C 2.395 179.254 176.870 -0.018 0.000 1.089 101 L CA 1.454 56.179 54.840 -0.193 0.000 0.757 101 L CB -1.028 40.710 42.059 -0.534 0.000 0.899 101 L HN 0.404 nan 8.230 nan 0.000 0.434 102 G N -0.036 108.738 108.800 -0.043 0.000 2.552 102 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.216 102 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.216 102 G C 1.567 176.528 174.900 0.101 0.000 1.240 102 G CA 1.053 46.167 45.100 0.023 0.000 0.796 102 G HN 0.187 nan 8.290 nan 0.000 0.568 103 K N 0.894 121.316 120.400 0.036 0.000 2.103 103 K HA 0.085 4.404 4.320 -0.001 0.000 0.207 103 K C 2.730 179.400 176.600 0.117 0.000 1.048 103 K CA 1.542 57.858 56.287 0.048 0.000 0.930 103 K CB -0.672 31.803 32.500 -0.041 0.000 0.716 103 K HN 0.224 nan 8.250 nan 0.000 0.444 104 A N -0.515 122.415 122.820 0.183 0.000 1.908 104 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 104 A C 2.144 179.815 177.584 0.146 0.000 1.181 104 A CA 1.614 53.765 52.037 0.190 0.000 0.627 104 A CB -1.169 18.011 19.000 0.299 0.000 0.818 104 A HN 0.661 nan 8.150 nan 0.000 0.445 105 W N 0.593 121.903 121.300 0.016 0.000 2.363 105 W HA -0.128 4.531 4.660 -0.001 0.000 0.296 105 W C 2.015 178.529 176.519 -0.009 0.000 1.212 105 W CA 1.867 59.206 57.345 -0.009 0.000 1.260 105 W CB 0.015 29.457 29.460 -0.030 0.000 1.131 105 W HN 0.469 nan 8.180 nan 0.000 0.530 106 E N -0.531 119.778 120.200 0.182 0.000 2.072 106 E HA -0.204 4.145 4.350 -0.001 0.000 0.190 106 E C 2.218 178.769 176.600 -0.081 0.000 0.982 106 E CA 2.146 58.576 56.400 0.051 0.000 0.803 106 E CB -0.372 29.397 29.700 0.115 0.000 0.755 106 E HN 0.249 nan 8.360 nan 0.000 0.453 107 V N -0.590 119.298 119.914 -0.044 0.000 2.871 107 V HA -0.053 4.066 4.120 -0.001 0.000 0.256 107 V C 1.763 177.801 176.094 -0.093 0.000 1.082 107 V CA 1.580 63.845 62.300 -0.058 0.000 1.105 107 V CB -0.482 31.329 31.823 -0.019 0.000 0.713 107 V HN 0.118 nan 8.190 nan 0.000 0.473 108 N N 1.254 119.873 118.700 -0.136 0.000 2.223 108 N HA -0.183 4.556 4.740 -0.001 0.000 0.185 108 N C 1.735 177.114 175.510 -0.217 0.000 1.016 108 N CA 1.686 54.632 53.050 -0.174 0.000 0.863 108 N CB -0.341 38.017 38.487 -0.215 0.000 0.983 108 N HN 0.563 nan 8.380 nan 0.000 0.429 109 K N -1.072 119.150 120.400 -0.296 0.000 2.057 109 K HA 0.009 4.328 4.320 -0.001 0.000 0.207 109 K C 1.606 178.118 176.600 -0.147 0.000 1.049 109 K CA 1.471 57.601 56.287 -0.262 0.000 0.931 109 K CB -0.373 31.944 32.500 -0.304 0.000 0.714 109 K HN 0.282 nan 8.250 nan 0.000 0.440 110 G N -1.549 107.182 108.800 -0.115 0.000 3.088 110 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.217 110 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.217 110 G C 0.997 175.868 174.900 -0.049 0.000 1.159 110 G CA 0.819 45.875 45.100 -0.073 0.000 0.760 110 G HN 0.454 nan 8.290 nan 0.000 0.550 111 T N -3.760 110.763 114.554 -0.053 0.000 3.048 111 T HA 0.139 4.488 4.350 -0.001 0.000 0.254 111 T C 0.677 175.364 174.700 -0.022 0.000 0.942 111 T CA 0.466 62.552 62.100 -0.023 0.000 0.931 111 T CB -0.047 68.815 68.868 -0.010 0.000 1.220 111 T HN 0.130 nan 8.240 nan 0.000 0.503 112 N N 0.931 119.604 118.700 -0.046 0.000 2.610 112 N HA -0.167 4.572 4.740 -0.001 0.000 0.271 112 N C 0.489 175.984 175.510 -0.025 0.000 1.146 112 N CA 0.656 53.684 53.050 -0.036 0.000 0.711 112 N CB -1.504 36.974 38.487 -0.014 0.000 0.883 112 N HN 0.838 nan 8.380 nan 0.000 0.548 113 C N -1.877 117.398 119.300 -0.043 0.000 3.580 113 C HA 0.550 5.009 4.460 -0.001 0.000 0.337 113 C C 0.599 175.541 174.990 -0.080 0.000 1.412 113 C CA -0.398 58.593 59.018 -0.044 0.000 1.797 113 C CB -0.547 27.177 27.740 -0.027 0.000 2.470 113 C HN 0.258 nan 8.230 nan 0.000 0.691 114 V N 2.299 122.159 119.914 -0.089 0.000 2.370 114 V HA 0.372 4.492 4.120 -0.001 0.000 0.283 114 V C 0.933 176.945 176.094 -0.136 0.000 1.023 114 V CA 0.543 62.777 62.300 -0.111 0.000 0.857 114 V CB 1.460 33.238 31.823 -0.075 0.000 0.985 114 V HN 0.449 nan 8.190 nan 0.000 0.443 115 T N 2.260 116.677 114.554 -0.229 0.000 3.033 115 T HA 0.113 4.462 4.350 -0.001 0.000 0.248 115 T C 0.561 175.122 174.700 -0.231 0.000 1.040 115 T CA 1.069 62.887 62.100 -0.470 0.000 1.133 115 T CB 0.254 68.681 68.868 -0.734 0.000 0.895 115 T HN 0.680 nan 8.240 nan 0.000 0.465 116 S N -0.109 115.531 115.700 -0.099 0.000 2.560 116 S HA 0.421 4.890 4.470 -0.001 0.000 0.283 116 S C -1.908 172.670 174.600 -0.037 0.000 1.141 116 S CA -0.888 57.309 58.200 -0.006 0.000 0.902 116 S CB 0.767 63.972 63.200 0.009 0.000 1.104 116 S HN 0.331 nan 8.310 nan 0.000 0.454 117 Y N 5.184 125.439 120.300 -0.074 0.000 2.327 117 Y HA 0.594 5.144 4.550 -0.001 0.000 0.336 117 Y C -0.327 175.476 175.900 -0.163 0.000 1.035 117 Y CA -0.702 57.342 58.100 -0.094 0.000 1.165 117 Y CB 0.817 39.297 38.460 0.034 0.000 1.181 117 Y HN 0.681 nan 8.280 nan 0.000 0.494 118 L N 7.822 128.526 121.223 -0.865 0.000 2.423 118 L HA 0.059 4.398 4.340 -0.001 0.000 0.249 118 L C 1.513 177.960 176.870 -0.704 0.000 1.276 118 L CA 0.035 54.276 54.840 -0.998 0.000 1.199 118 L CB -0.486 40.743 42.059 -1.383 0.000 1.407 118 L HN 0.962 nan 8.230 nan 0.000 0.410 119 T N -1.465 112.883 114.554 -0.343 0.000 2.693 119 T HA -0.321 4.028 4.350 -0.001 0.000 0.263 119 T C 0.924 175.552 174.700 -0.119 0.000 1.046 119 T CA 2.023 64.008 62.100 -0.191 0.000 1.160 119 T CB -0.710 68.198 68.868 0.067 0.000 0.853 119 T HN 0.714 nan 8.240 nan 0.000 0.462 120 D N 2.110 122.495 120.400 -0.026 0.000 2.856 120 D HA 0.262 4.901 4.640 -0.001 0.000 0.242 120 D C 0.611 176.899 176.300 -0.020 0.000 1.226 120 D CA -0.523 53.490 54.000 0.022 0.000 0.855 120 D CB -1.272 39.579 40.800 0.085 0.000 1.065 120 D HN 0.680 nan 8.370 nan 0.000 0.462 121 C N -0.553 118.675 119.300 -0.122 0.000 2.641 121 C HA 0.370 4.830 4.460 -0.001 0.000 0.318 121 C C 1.624 176.502 174.990 -0.186 0.000 1.490 121 C CA -0.592 58.295 59.018 -0.218 0.000 2.260 121 C CB 0.092 27.627 27.740 -0.341 0.000 2.103 121 C HN 0.596 nan 8.230 nan 0.000 0.641 122 E N -1.237 118.745 120.200 -0.364 0.000 5.171 122 E HA -0.309 4.041 4.350 -0.001 0.000 0.184 122 E C 1.323 177.865 176.600 -0.097 0.000 1.101 122 E CA 2.073 58.360 56.400 -0.188 0.000 2.026 122 E CB -1.843 27.879 29.700 0.036 0.000 1.810 122 E HN 0.966 nan 8.360 nan 0.000 0.414 123 T N -1.843 112.670 114.554 -0.069 0.000 3.067 123 T HA 0.013 4.362 4.350 -0.001 0.000 0.261 123 T C 1.610 176.266 174.700 -0.073 0.000 1.110 123 T CA 1.192 63.264 62.100 -0.047 0.000 1.113 123 T CB 0.199 69.058 68.868 -0.015 0.000 0.917 123 T HN 0.024 nan 8.240 nan 0.000 0.499 124 Q N 0.849 120.578 119.800 -0.119 0.000 2.269 124 Q HA 0.296 4.635 4.340 -0.001 0.000 0.201 124 Q C 1.981 177.867 176.000 -0.190 0.000 0.946 124 Q CA 0.796 56.519 55.803 -0.134 0.000 0.877 124 Q CB -0.652 28.010 28.738 -0.126 0.000 0.963 124 Q HN 0.581 nan 8.270 nan 0.000 0.472 125 L N -0.664 120.398 121.223 -0.269 0.000 2.056 125 L HA -0.130 4.209 4.340 -0.001 0.000 0.207 125 L C 2.246 179.049 176.870 -0.112 0.000 1.078 125 L CA 1.208 55.895 54.840 -0.256 0.000 0.749 125 L CB -0.475 41.387 42.059 -0.329 0.000 0.901 125 L HN 0.088 nan 8.230 nan 0.000 0.433 126 S N -0.394 115.262 115.700 -0.073 0.000 2.359 126 S HA -0.251 4.218 4.470 -0.001 0.000 0.224 126 S C 1.831 176.430 174.600 -0.002 0.000 1.035 126 S CA 1.807 59.996 58.200 -0.019 0.000 1.018 126 S CB -0.413 62.779 63.200 -0.012 0.000 0.876 126 S HN 0.618 nan 8.310 nan 0.000 0.448 127 Q N -0.226 119.563 119.800 -0.018 0.000 2.268 127 Q HA 0.742 5.081 4.340 -0.001 0.000 0.289 127 Q C 0.043 176.045 176.000 0.003 0.000 0.893 127 Q CA 0.162 55.962 55.803 -0.006 0.000 1.057 127 Q CB -0.175 28.552 28.738 -0.019 0.000 1.173 127 Q HN 0.560 nan 8.270 nan 0.000 0.449 128 A N 1.998 124.836 122.820 0.031 0.000 2.302 128 A HA 0.664 4.983 4.320 -0.001 0.000 0.295 128 A C -2.479 175.228 177.584 0.205 0.000 1.235 128 A CA -1.461 50.624 52.037 0.081 0.000 0.876 128 A CB 0.316 19.313 19.000 -0.004 0.000 1.133 128 A HN 0.370 nan 8.150 nan 0.000 0.533 129 P HA 0.176 nan 4.420 nan 0.000 0.271 129 P C 0.718 178.058 177.300 0.067 0.000 1.220 129 P CA -0.365 62.786 63.100 0.086 0.000 0.768 129 P CB 0.718 32.448 31.700 0.050 0.000 0.848 130 R N 3.052 123.473 120.500 -0.132 0.000 2.119 130 R HA -0.068 4.271 4.340 -0.001 0.000 0.222 130 R C 1.554 177.595 176.300 -0.432 0.000 1.088 130 R CA 1.409 57.189 56.100 -0.533 0.000 0.984 130 R CB -0.153 29.893 30.300 -0.423 0.000 0.884 130 R HN 0.586 nan 8.270 nan 0.000 0.447 131 Q N 0.160 119.852 119.800 -0.179 0.000 2.211 131 Q HA 0.280 4.619 4.340 -0.001 0.000 0.231 131 Q C 0.321 176.304 176.000 -0.029 0.000 0.865 131 Q CA 0.240 55.981 55.803 -0.103 0.000 0.997 131 Q CB 0.542 29.236 28.738 -0.073 0.000 1.101 131 Q HN 0.421 nan 8.270 nan 0.000 0.468 132 G N -0.063 108.747 108.800 0.016 0.000 2.467 132 G HA2 0.398 4.358 3.960 -0.001 0.000 0.257 132 G HA3 0.398 4.358 3.960 -0.001 0.000 0.257 132 G C 0.699 175.637 174.900 0.063 0.000 1.227 132 G CA -0.507 44.629 45.100 0.060 0.000 0.835 132 G HN 0.309 nan 8.290 nan 0.000 0.556 133 L N 1.186 122.425 121.223 0.026 0.000 2.456 133 L HA 0.152 4.491 4.340 -0.001 0.000 0.224 133 L C 1.608 178.484 176.870 0.010 0.000 1.148 133 L CA 1.209 56.052 54.840 0.005 0.000 0.825 133 L CB -0.513 41.526 42.059 -0.033 0.000 0.937 133 L HN 0.461 nan 8.230 nan 0.000 0.450 134 L N -2.075 119.163 121.223 0.025 0.000 3.186 134 L HA 0.041 4.380 4.340 -0.001 0.000 0.292 134 L C 1.324 178.209 176.870 0.025 0.000 1.303 134 L CA -0.250 54.594 54.840 0.005 0.000 0.940 134 L CB 0.123 42.161 42.059 -0.035 0.000 1.358 134 L HN 0.043 nan 8.230 nan 0.000 0.581 135 Y N 0.971 121.251 120.300 -0.035 0.000 2.165 135 Y HA -0.177 4.372 4.550 -0.001 0.000 0.286 135 Y C 1.975 177.852 175.900 -0.037 0.000 1.155 135 Y CA 2.058 60.139 58.100 -0.032 0.000 1.164 135 Y CB 0.212 38.659 38.460 -0.022 0.000 0.978 135 Y HN 0.244 nan 8.280 nan 0.000 0.513 136 G N -0.122 108.480 108.800 -0.331 0.000 2.623 136 G HA2 0.055 4.015 3.960 -0.001 0.000 0.214 136 G HA3 0.055 4.015 3.960 -0.001 0.000 0.214 136 G C -0.037 174.708 174.900 -0.258 0.000 1.138 136 G CA 0.325 45.179 45.100 -0.410 0.000 0.794 136 G HN 0.155 nan 8.290 nan 0.000 0.535 137 V N 3.490 123.295 119.914 -0.181 0.000 2.432 137 V HA 0.238 4.358 4.120 -0.001 0.000 0.271 137 V C -1.877 174.119 176.094 -0.164 0.000 1.046 137 V CA -1.752 60.455 62.300 -0.156 0.000 0.945 137 V CB 1.479 33.233 31.823 -0.116 0.000 0.992 137 V HN 0.093 nan 8.190 nan 0.000 0.471 138 P HA 0.242 nan 4.420 nan 0.000 0.276 138 P C -0.718 176.550 177.300 -0.052 0.000 1.235 138 P CA 0.051 62.998 63.100 -0.255 0.000 0.772 138 P CB 1.264 32.506 31.700 -0.763 0.000 0.871 139 V N 0.589 120.639 119.914 0.228 0.000 2.604 139 V HA 0.707 4.826 4.120 -0.001 0.000 0.305 139 V C -0.185 175.989 176.094 0.134 0.000 1.043 139 V CA -0.969 61.428 62.300 0.162 0.000 0.888 139 V CB 1.709 33.528 31.823 -0.007 0.000 0.995 139 V HN 0.561 nan 8.190 nan 0.000 0.429 140 S N 5.472 121.148 115.700 -0.039 0.000 2.457 140 S HA 0.814 5.284 4.470 -0.001 0.000 0.289 140 S C -0.544 173.945 174.600 -0.185 0.000 1.163 140 S CA -0.723 57.313 58.200 -0.274 0.000 1.078 140 S CB 0.859 63.892 63.200 -0.277 0.000 0.987 140 S HN 0.794 nan 8.310 nan 0.000 0.482 141 L N 2.574 123.699 121.223 -0.164 0.000 2.317 141 L HA 0.533 4.872 4.340 -0.001 0.000 0.281 141 L C 0.454 177.404 176.870 0.133 0.000 1.024 141 L CA -0.901 53.900 54.840 -0.066 0.000 0.810 141 L CB 1.116 43.172 42.059 -0.005 0.000 1.240 141 L HN 0.636 nan 8.230 nan 0.000 0.427 142 K N 1.609 122.153 120.400 0.241 0.000 2.414 142 K HA -0.065 4.255 4.320 -0.001 0.000 0.272 142 K C 1.052 177.778 176.600 0.210 0.000 0.993 142 K CA 0.148 56.591 56.287 0.260 0.000 0.964 142 K CB 0.884 33.598 32.500 0.356 0.000 0.925 142 K HN 0.743 nan 8.250 nan 0.000 0.487 143 E N 2.548 122.696 120.200 -0.085 0.000 2.118 143 E HA -0.249 4.101 4.350 -0.001 0.000 0.195 143 E C 1.648 178.035 176.600 -0.356 0.000 0.992 143 E CA 1.968 58.086 56.400 -0.469 0.000 0.804 143 E CB -0.186 29.285 29.700 -0.382 0.000 0.741 143 E HN 0.800 nan 8.360 nan 0.000 0.458 144 C N -0.012 119.195 119.300 -0.155 0.000 2.422 144 C HA 0.049 4.508 4.460 -0.001 0.000 0.286 144 C C 0.978 175.872 174.990 -0.160 0.000 1.412 144 C CA -0.751 58.170 59.018 -0.161 0.000 1.786 144 C CB -1.788 25.820 27.740 -0.220 0.000 1.835 144 C HN 0.161 nan 8.230 nan 0.000 0.533 145 F N 3.506 123.486 119.950 0.051 0.000 2.466 145 F HA 0.276 4.802 4.527 -0.001 0.000 0.363 145 F C 1.245 177.186 175.800 0.236 0.000 1.109 145 F CA 0.205 58.284 58.000 0.132 0.000 1.161 145 F CB 0.361 39.445 39.000 0.140 0.000 1.117 145 F HN 0.235 nan 8.300 nan 0.000 0.539 146 S N 4.650 120.535 115.700 0.308 0.000 2.481 146 S HA 0.250 4.720 4.470 -0.001 0.000 0.276 146 S C -0.886 173.886 174.600 0.286 0.000 1.247 146 S CA -0.560 57.810 58.200 0.284 0.000 1.053 146 S CB 0.115 63.417 63.200 0.170 0.000 0.925 146 S HN 0.545 nan 8.310 nan 0.000 0.491 147 Y N 2.241 122.662 120.300 0.203 0.000 2.361 147 Y HA 0.498 5.047 4.550 -0.001 0.000 0.332 147 Y C 0.698 176.688 175.900 0.150 0.000 1.101 147 Y CA -0.333 57.825 58.100 0.098 0.000 1.137 147 Y CB 0.862 39.266 38.460 -0.093 0.000 1.207 147 Y HN 0.936 nan 8.280 nan 0.000 0.463 148 K N 2.467 122.878 120.400 0.019 0.000 2.484 148 K HA 0.404 4.723 4.320 -0.001 0.000 0.280 148 K C 1.006 177.751 176.600 0.242 0.000 1.013 148 K CA 0.313 56.652 56.287 0.088 0.000 1.029 148 K CB -0.738 31.731 32.500 -0.052 0.000 0.902 148 K HN 1.582 nan 8.250 nan 0.000 0.481 149 G N 1.220 110.081 108.800 0.101 0.000 2.148 149 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.254 149 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.254 149 G C 0.102 174.879 174.900 -0.205 0.000 0.981 149 G CA 0.514 45.586 45.100 -0.047 0.000 0.670 149 G HN 1.054 nan 8.290 nan 0.000 0.528 150 H N -0.098 119.067 119.070 0.158 0.000 2.768 150 H HA 0.379 4.934 4.556 -0.001 0.000 0.371 150 H C -0.989 174.452 175.328 0.188 0.000 1.151 150 H CA -0.868 55.285 56.048 0.176 0.000 1.165 150 H CB 1.805 31.682 29.762 0.192 0.000 1.722 150 H HN 0.112 nan 8.280 nan 0.000 0.543 151 D N 0.762 121.353 120.400 0.319 0.000 2.390 151 D HA 0.039 4.678 4.640 -0.001 0.000 0.249 151 D C -0.029 176.380 176.300 0.181 0.000 1.144 151 D CA 0.437 54.570 54.000 0.221 0.000 0.880 151 D CB 0.840 41.772 40.800 0.220 0.000 1.182 151 D HN 0.260 nan 8.370 nan 0.000 0.451 152 S N 1.139 116.908 115.700 0.114 0.000 2.497 152 S HA 0.106 4.575 4.470 -0.001 0.000 0.193 152 S C -0.053 174.560 174.600 0.022 0.000 1.360 152 S CA -0.686 57.528 58.200 0.024 0.000 1.204 152 S CB -0.111 63.116 63.200 0.045 0.000 1.171 152 S HN 0.498 nan 8.310 nan 0.000 0.502 153 T N 0.953 115.540 114.554 0.054 0.000 2.817 153 T HA 0.181 4.530 4.350 -0.001 0.000 0.295 153 T C 0.731 175.452 174.700 0.035 0.000 0.958 153 T CA -0.538 61.605 62.100 0.071 0.000 1.157 153 T CB 0.242 69.219 68.868 0.181 0.000 0.898 153 T HN 0.090 nan 8.240 nan 0.000 0.536 154 L N 3.683 124.904 121.223 -0.003 0.000 2.682 154 L HA 0.328 4.668 4.340 -0.001 0.000 0.240 154 L C 2.016 178.892 176.870 0.010 0.000 1.178 154 L CA 0.969 55.800 54.840 -0.015 0.000 0.970 154 L CB -1.165 40.872 42.059 -0.036 0.000 1.179 154 L HN 1.222 nan 8.230 nan 0.000 0.435 155 G N -1.318 107.514 108.800 0.053 0.000 2.213 155 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.226 155 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.226 155 G C 0.160 175.044 174.900 -0.027 0.000 0.992 155 G CA -0.464 44.671 45.100 0.059 0.000 0.632 155 G HN 0.120 nan 8.290 nan 0.000 0.511 156 L N 2.417 123.586 121.223 -0.090 0.000 2.260 156 L HA 0.525 4.864 4.340 -0.001 0.000 0.289 156 L C 1.773 178.579 176.870 -0.107 0.000 1.057 156 L CA 0.614 55.344 54.840 -0.184 0.000 0.811 156 L CB 0.610 42.499 42.059 -0.283 0.000 1.184 156 L HN 0.136 nan 8.230 nan 0.000 0.429 157 S N 2.946 118.590 115.700 -0.093 0.000 2.392 157 S HA -0.239 4.230 4.470 -0.001 0.000 0.232 157 S C 1.837 176.406 174.600 -0.051 0.000 1.041 157 S CA 1.176 59.344 58.200 -0.054 0.000 1.026 157 S CB -0.249 62.933 63.200 -0.029 0.000 0.845 157 S HN 0.629 nan 8.310 nan 0.000 0.465 158 L N 2.811 123.988 121.223 -0.078 0.000 2.054 158 L HA -0.266 4.073 4.340 -0.001 0.000 0.220 158 L C 0.989 177.841 176.870 -0.031 0.000 1.081 158 L CA 2.213 57.016 54.840 -0.062 0.000 0.780 158 L CB -0.829 41.175 42.059 -0.091 0.000 0.893 158 L HN 0.512 nan 8.230 nan 0.000 0.438 159 N N -1.618 117.066 118.700 -0.026 0.000 2.273 159 N HA 0.055 4.795 4.740 -0.001 0.000 0.231 159 N C 1.141 176.668 175.510 0.028 0.000 1.134 159 N CA 0.477 53.531 53.050 0.007 0.000 0.856 159 N CB 0.091 38.588 38.487 0.016 0.000 1.068 159 N HN 0.455 nan 8.380 nan 0.000 0.510 160 E N 1.196 121.407 120.200 0.018 0.000 2.208 160 E HA -0.040 4.310 4.350 -0.001 0.000 0.193 160 E C 1.802 178.425 176.600 0.038 0.000 0.988 160 E CA 1.283 57.702 56.400 0.033 0.000 0.828 160 E CB -0.569 29.130 29.700 -0.001 0.000 0.763 160 E HN 0.318 nan 8.360 nan 0.000 0.478 161 G N 1.627 110.442 108.800 0.025 0.000 2.604 161 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 161 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 161 G C 0.978 175.900 174.900 0.038 0.000 1.265 161 G CA 1.524 46.640 45.100 0.026 0.000 0.804 161 G HN 0.412 nan 8.290 nan 0.000 0.579 162 M N 1.730 121.355 119.600 0.040 0.000 2.144 162 M HA 0.492 4.972 4.480 -0.001 0.000 0.356 162 M C -2.936 173.401 176.300 0.062 0.000 1.217 162 M CA -2.969 52.357 55.300 0.043 0.000 1.087 162 M CB 1.336 33.957 32.600 0.035 0.000 1.609 162 M HN -0.068 nan 8.290 nan 0.000 0.467 163 P HA 0.259 nan 4.420 nan 0.000 0.276 163 P C -0.588 176.758 177.300 0.077 0.000 1.244 163 P CA -0.246 62.901 63.100 0.079 0.000 0.801 163 P CB 0.468 32.194 31.700 0.043 0.000 1.006 164 S N -0.845 114.919 115.700 0.106 0.000 2.603 164 S HA 0.380 4.850 4.470 -0.001 0.000 0.268 164 S C 1.453 176.089 174.600 0.060 0.000 1.317 164 S CA 0.054 58.306 58.200 0.088 0.000 1.012 164 S CB 0.338 63.607 63.200 0.114 0.000 0.926 164 S HN 0.575 nan 8.310 nan 0.000 0.539 165 E N 1.195 121.418 120.200 0.039 0.000 2.033 165 E HA 0.127 4.476 4.350 -0.001 0.000 0.189 165 E C 1.151 177.756 176.600 0.008 0.000 0.979 165 E CA 1.224 57.636 56.400 0.020 0.000 0.802 165 E CB -0.510 29.197 29.700 0.012 0.000 0.763 165 E HN 0.705 nan 8.360 nan 0.000 0.449 166 S N -0.346 115.357 115.700 0.006 0.000 2.634 166 S HA 0.469 4.939 4.470 -0.001 0.000 0.296 166 S C -1.514 173.070 174.600 -0.027 0.000 1.104 166 S CA -0.737 57.452 58.200 -0.019 0.000 0.920 166 S CB 1.414 64.602 63.200 -0.019 0.000 1.111 166 S HN 0.317 nan 8.310 nan 0.000 0.493 167 D N 1.828 122.178 120.400 -0.084 0.000 2.389 167 D HA 0.206 4.845 4.640 -0.001 0.000 0.247 167 D C 0.615 176.897 176.300 -0.030 0.000 1.128 167 D CA -0.135 53.797 54.000 -0.114 0.000 0.884 167 D CB 0.361 41.026 40.800 -0.224 0.000 1.194 167 D HN 0.699 nan 8.370 nan 0.000 0.441 168 C N 1.124 120.443 119.300 0.031 0.000 2.745 168 C HA 0.123 4.582 4.460 -0.001 0.000 0.387 168 C C 2.039 177.065 174.990 0.061 0.000 1.312 168 C CA -0.819 58.245 59.018 0.078 0.000 2.204 168 C CB 0.092 27.931 27.740 0.164 0.000 2.686 168 C HN 0.482 nan 8.230 nan 0.000 0.705 169 V N 3.038 122.995 119.914 0.073 0.000 2.515 169 V HA -0.152 3.968 4.120 -0.001 0.000 0.250 169 V C 2.442 178.567 176.094 0.051 0.000 1.058 169 V CA 2.330 64.662 62.300 0.052 0.000 1.064 169 V CB -0.631 31.227 31.823 0.059 0.000 0.675 169 V HN 0.987 nan 8.190 nan 0.000 0.461 170 V N -2.946 117.024 119.914 0.093 0.000 2.591 170 V HA -0.074 4.046 4.120 -0.001 0.000 0.249 170 V C 2.219 178.313 176.094 0.000 0.000 1.053 170 V CA 1.315 63.650 62.300 0.058 0.000 1.068 170 V CB -0.634 31.249 31.823 0.101 0.000 0.689 170 V HN 0.275 nan 8.190 nan 0.000 0.462 171 V N 0.509 120.432 119.914 0.016 0.000 2.287 171 V HA -0.337 3.782 4.120 -0.001 0.000 0.248 171 V C 2.882 178.941 176.094 -0.059 0.000 1.053 171 V CA 2.719 65.003 62.300 -0.027 0.000 1.027 171 V CB -0.861 30.955 31.823 -0.012 0.000 0.646 171 V HN 0.570 nan 8.190 nan 0.000 0.447 172 Q N -0.738 119.029 119.800 -0.056 0.000 2.077 172 Q HA -0.222 4.117 4.340 -0.001 0.000 0.206 172 Q C 2.394 178.352 176.000 -0.071 0.000 0.989 172 Q CA 2.284 58.042 55.803 -0.074 0.000 0.853 172 Q CB -0.409 28.293 28.738 -0.060 0.000 0.907 172 Q HN 0.667 nan 8.270 nan 0.000 0.418 173 V N -0.582 119.306 119.914 -0.042 0.000 2.719 173 V HA -0.150 3.969 4.120 -0.001 0.000 0.252 173 V C 1.848 177.925 176.094 -0.028 0.000 1.065 173 V CA 1.061 63.344 62.300 -0.028 0.000 1.086 173 V CB -0.294 31.527 31.823 -0.003 0.000 0.700 173 V HN 0.313 nan 8.190 nan 0.000 0.467 174 L N 0.051 121.249 121.223 -0.042 0.000 2.012 174 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 174 L C 2.868 179.714 176.870 -0.040 0.000 1.073 174 L CA 2.474 57.287 54.840 -0.045 0.000 0.748 174 L CB -0.585 41.440 42.059 -0.057 0.000 0.891 174 L HN 0.285 nan 8.230 nan 0.000 0.431 175 K N -0.077 120.292 120.400 -0.052 0.000 2.097 175 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 175 K C 2.019 178.585 176.600 -0.055 0.000 1.049 175 K CA 1.160 57.413 56.287 -0.057 0.000 0.933 175 K CB -0.205 32.248 32.500 -0.079 0.000 0.717 175 K HN 0.263 nan 8.250 nan 0.000 0.442 176 L N 0.405 121.584 121.223 -0.074 0.000 2.291 176 L HA -0.141 4.198 4.340 -0.001 0.000 0.214 176 L C 2.055 178.935 176.870 0.017 0.000 1.120 176 L CA 0.771 55.558 54.840 -0.088 0.000 0.799 176 L CB -0.051 41.851 42.059 -0.261 0.000 0.925 176 L HN 0.138 nan 8.230 nan 0.000 0.446 177 Q N -0.409 119.408 119.800 0.028 0.000 2.319 177 Q HA 0.141 4.480 4.340 -0.001 0.000 0.202 177 Q C 1.242 177.269 176.000 0.045 0.000 0.896 177 Q CA 0.667 56.497 55.803 0.045 0.000 0.942 177 Q CB 0.611 29.359 28.738 0.017 0.000 1.083 177 Q HN 0.380 nan 8.270 nan 0.000 0.510 178 G N -1.205 107.616 108.800 0.034 0.000 2.176 178 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.232 178 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.232 178 G C 0.269 175.142 174.900 -0.044 0.000 0.986 178 G CA -0.060 45.070 45.100 0.050 0.000 0.643 178 G HN 0.616 nan 8.290 nan 0.000 0.522 179 A N -0.191 122.601 122.820 -0.047 0.000 2.483 179 A HA 0.589 4.908 4.320 -0.001 0.000 0.238 179 A C 0.543 178.083 177.584 -0.072 0.000 1.070 179 A CA 0.753 52.749 52.037 -0.070 0.000 0.770 179 A CB 0.788 19.756 19.000 -0.053 0.000 1.008 179 A HN 1.198 nan 8.150 nan 0.000 0.497 180 V N 4.468 124.338 119.914 -0.073 0.000 2.275 180 V HA 0.254 4.374 4.120 -0.001 0.000 0.272 180 V C -2.451 173.702 176.094 0.099 0.000 1.028 180 V CA -1.453 60.817 62.300 -0.050 0.000 0.810 180 V CB 0.929 32.649 31.823 -0.171 0.000 1.043 180 V HN 0.716 nan 8.190 nan 0.000 0.453 181 P HA 0.130 nan 4.420 nan 0.000 0.270 181 P C 0.059 177.406 177.300 0.078 0.000 1.242 181 P CA 0.098 63.271 63.100 0.122 0.000 0.768 181 P CB 0.227 32.032 31.700 0.174 0.000 0.820 182 F N 3.941 123.813 119.950 -0.130 0.000 2.667 182 F HA 0.300 4.826 4.527 -0.001 0.000 0.288 182 F C 0.013 175.712 175.800 -0.169 0.000 1.086 182 F CA -0.216 57.729 58.000 -0.092 0.000 1.297 182 F CB -0.251 38.836 39.000 0.145 0.000 1.059 182 F HN 0.080 nan 8.300 nan 0.000 0.624 183 V N -0.954 118.483 119.914 -0.796 0.000 2.823 183 V HA 0.530 4.649 4.120 -0.001 0.000 0.312 183 V C -1.096 174.735 176.094 -0.438 0.000 1.072 183 V CA -0.906 61.046 62.300 -0.580 0.000 0.937 183 V CB 1.249 32.730 31.823 -0.571 0.000 1.013 183 V HN 0.311 nan 8.190 nan 0.000 0.430 184 H N 1.883 120.735 119.070 -0.362 0.000 2.580 184 H HA 0.610 5.166 4.556 -0.001 0.000 0.322 184 H C 0.286 175.462 175.328 -0.252 0.000 1.082 184 H CA 0.093 55.975 56.048 -0.276 0.000 1.383 184 H CB 1.479 31.082 29.762 -0.265 0.000 1.450 184 H HN 1.031 nan 8.280 nan 0.000 0.505 185 T N 1.039 115.560 114.554 -0.055 0.000 2.895 185 T HA 0.147 4.497 4.350 -0.001 0.000 0.283 185 T C 0.294 174.921 174.700 -0.122 0.000 1.014 185 T CA -1.208 60.830 62.100 -0.103 0.000 1.037 185 T CB 1.458 70.284 68.868 -0.070 0.000 1.006 185 T HN 0.440 nan 8.240 nan 0.000 0.468 186 N N 0.880 119.509 118.700 -0.118 0.000 2.492 186 N HA 0.336 5.075 4.740 -0.001 0.000 0.260 186 N C -0.295 175.191 175.510 -0.039 0.000 1.215 186 N CA -0.288 52.699 53.050 -0.105 0.000 0.923 186 N CB 0.501 38.951 38.487 -0.061 0.000 1.092 186 N HN 0.747 nan 8.380 nan 0.000 0.448 187 V N 1.276 121.177 119.914 -0.022 0.000 2.815 187 V HA 0.775 4.894 4.120 -0.001 0.000 0.314 187 V C -2.419 173.703 176.094 0.047 0.000 1.064 187 V CA -2.192 60.117 62.300 0.014 0.000 0.952 187 V CB 1.782 33.606 31.823 0.002 0.000 1.020 187 V HN 0.609 nan 8.190 nan 0.000 0.439 188 P HA 0.098 nan 4.420 nan 0.000 0.272 188 P C 0.468 177.826 177.300 0.096 0.000 1.230 188 P CA 0.025 63.167 63.100 0.071 0.000 0.788 188 P CB 0.982 32.719 31.700 0.062 0.000 0.949 189 Q N 0.874 120.747 119.800 0.123 0.000 2.096 189 Q HA -0.182 4.157 4.340 -0.001 0.000 0.208 189 Q C 1.373 177.436 176.000 0.105 0.000 0.993 189 Q CA 2.102 57.981 55.803 0.126 0.000 0.862 189 Q CB -0.210 28.634 28.738 0.176 0.000 0.915 189 Q HN 0.391 nan 8.270 nan 0.000 0.416 190 S N -1.483 114.351 115.700 0.224 0.000 2.602 190 S HA 0.239 4.709 4.470 -0.001 0.000 0.240 190 S C 0.505 175.234 174.600 0.215 0.000 0.992 190 S CA 0.001 58.328 58.200 0.212 0.000 0.971 190 S CB 0.078 63.517 63.200 0.399 0.000 0.855 190 S HN 0.464 nan 8.310 nan 0.000 0.481 191 M N -0.822 118.866 119.600 0.146 0.000 2.841 191 M HA -0.217 4.262 4.480 -0.001 0.000 0.166 191 M C -0.174 176.202 176.300 0.127 0.000 0.667 191 M CA 0.604 55.970 55.300 0.109 0.000 0.619 191 M CB -1.429 31.202 32.600 0.052 0.000 2.253 191 M HN 0.303 nan 8.290 nan 0.000 0.313 192 L N 1.354 122.698 121.223 0.201 0.000 2.796 192 L HA 0.531 4.871 4.340 -0.001 0.000 0.235 192 L C 0.267 177.215 176.870 0.131 0.000 1.344 192 L CA 0.490 55.408 54.840 0.129 0.000 1.245 192 L CB 0.354 42.442 42.059 0.049 0.000 1.556 192 L HN 0.271 nan 8.230 nan 0.000 0.423 193 S N 0.287 116.052 115.700 0.109 0.000 2.543 193 S HA 0.384 4.854 4.470 -0.001 0.000 0.274 193 S C -0.114 174.537 174.600 0.085 0.000 1.149 193 S CA -0.629 57.614 58.200 0.071 0.000 0.866 193 S CB 0.636 63.859 63.200 0.038 0.000 1.111 193 S HN 0.275 nan 8.310 nan 0.000 0.457 194 F N 1.278 121.112 119.950 -0.195 0.000 2.647 194 F HA 0.564 5.090 4.527 -0.001 0.000 0.300 194 F C 0.345 176.017 175.800 -0.214 0.000 1.106 194 F CA -0.670 57.143 58.000 -0.312 0.000 1.313 194 F CB 0.049 38.562 39.000 -0.812 0.000 1.007 194 F HN 0.423 nan 8.300 nan 0.000 0.536 195 D N 0.582 120.787 120.400 -0.323 0.000 2.478 195 D HA 0.228 4.867 4.640 -0.001 0.000 0.274 195 D C -0.702 175.570 176.300 -0.048 0.000 1.234 195 D CA -0.384 53.508 54.000 -0.180 0.000 1.069 195 D CB 1.943 42.642 40.800 -0.168 0.000 1.113 195 D HN 0.255 nan 8.370 nan 0.000 0.571 196 C N 1.179 120.472 119.300 -0.012 0.000 2.919 196 C HA 0.624 5.083 4.460 -0.001 0.000 0.337 196 C C -1.059 173.947 174.990 0.027 0.000 1.039 196 C CA -0.190 58.840 59.018 0.020 0.000 1.373 196 C CB -1.068 26.692 27.740 0.034 0.000 1.843 196 C HN 0.409 nan 8.230 nan 0.000 0.493 197 S N 5.192 120.915 115.700 0.039 0.000 2.578 197 S HA 0.675 5.144 4.470 -0.001 0.000 0.285 197 S C -1.797 172.844 174.600 0.068 0.000 1.126 197 S CA -0.502 57.727 58.200 0.048 0.000 0.878 197 S CB 1.051 64.267 63.200 0.028 0.000 1.091 197 S HN 1.018 nan 8.310 nan 0.000 0.450 198 N N 2.849 121.596 118.700 0.077 0.000 2.610 198 N HA 0.483 5.223 4.740 -0.001 0.000 0.264 198 N C -2.830 172.702 175.510 0.036 0.000 1.348 198 N CA -1.501 51.596 53.050 0.078 0.000 0.819 198 N CB 1.092 39.641 38.487 0.104 0.000 1.521 198 N HN 0.265 nan 8.380 nan 0.000 0.497 199 P HA -0.069 nan 4.420 nan 0.000 0.216 199 P C 1.630 178.867 177.300 -0.106 0.000 1.153 199 P CA 0.880 63.947 63.100 -0.054 0.000 0.858 199 P CB 0.310 32.013 31.700 0.004 0.000 0.789 200 L N -2.429 118.719 121.223 -0.125 0.000 1.988 200 L HA -0.083 4.256 4.340 -0.001 0.000 0.207 200 L C 2.178 178.755 176.870 -0.488 0.000 1.071 200 L CA 2.001 56.628 54.840 -0.354 0.000 0.744 200 L CB -1.315 40.465 42.059 -0.464 0.000 0.893 200 L HN -0.080 nan 8.230 nan 0.000 0.433 201 F N -1.554 118.389 119.950 -0.011 0.000 2.731 201 F HA 0.449 4.975 4.527 -0.001 0.000 0.298 201 F C 1.471 177.260 175.800 -0.018 0.000 1.106 201 F CA 0.384 58.378 58.000 -0.010 0.000 1.329 201 F CB -0.060 38.937 39.000 -0.005 0.000 1.100 201 F HN 0.171 nan 8.300 nan 0.000 0.592 202 G N 0.710 109.571 108.800 0.102 0.000 2.587 202 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.212 202 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.212 202 G C -0.807 174.129 174.900 0.060 0.000 1.327 202 G CA -0.782 44.348 45.100 0.050 0.000 0.898 202 G HN 0.227 nan 8.290 nan 0.000 0.551 203 Q N -0.166 119.653 119.800 0.032 0.000 2.241 203 Q HA 0.610 4.949 4.340 -0.001 0.000 0.254 203 Q C -0.136 175.879 176.000 0.025 0.000 0.917 203 Q CA -0.246 55.572 55.803 0.026 0.000 0.919 203 Q CB 0.873 29.617 28.738 0.010 0.000 1.237 203 Q HN 0.635 nan 8.270 nan 0.000 0.434 204 T N 4.207 118.777 114.554 0.028 0.000 2.806 204 T HA 0.415 4.764 4.350 -0.001 0.000 0.290 204 T C -0.316 174.404 174.700 0.033 0.000 0.966 204 T CA -0.326 61.790 62.100 0.027 0.000 1.060 204 T CB 0.612 69.498 68.868 0.030 0.000 0.927 204 T HN 0.539 nan 8.240 nan 0.000 0.485 205 M N 3.063 122.682 119.600 0.032 0.000 2.478 205 M HA 0.315 4.794 4.480 -0.001 0.000 0.327 205 M C 0.678 177.022 176.300 0.073 0.000 1.187 205 M CA -0.674 54.652 55.300 0.044 0.000 1.022 205 M CB 1.052 33.669 32.600 0.028 0.000 1.629 205 M HN 0.444 nan 8.290 nan 0.000 0.461 206 N N 3.126 121.889 118.700 0.105 0.000 2.458 206 N HA 0.067 4.806 4.740 -0.001 0.000 0.258 206 N C -1.845 173.754 175.510 0.149 0.000 1.219 206 N CA -0.879 52.269 53.050 0.163 0.000 0.902 206 N CB 1.068 39.668 38.487 0.188 0.000 1.076 206 N HN 0.379 nan 8.380 nan 0.000 0.455 207 P HA -0.117 nan 4.420 nan 0.000 0.216 207 P C 0.866 178.182 177.300 0.027 0.000 1.150 207 P CA 1.477 64.601 63.100 0.041 0.000 0.837 207 P CB -0.049 31.630 31.700 -0.035 0.000 0.786 208 W N 0.602 121.911 121.300 0.016 0.000 2.467 208 W HA 0.126 4.785 4.660 -0.001 0.000 0.275 208 W C 1.110 177.628 176.519 -0.003 0.000 1.239 208 W CA 0.677 58.026 57.345 0.007 0.000 1.266 208 W CB -0.171 29.293 29.460 0.008 0.000 1.112 208 W HN -0.080 nan 8.180 nan 0.000 0.576 209 K N -0.934 119.594 120.400 0.213 0.000 2.571 209 K HA 0.154 4.474 4.320 -0.001 0.000 0.252 209 K C 0.328 176.972 176.600 0.073 0.000 0.956 209 K CA -0.216 56.138 56.287 0.112 0.000 0.822 209 K CB 1.560 34.114 32.500 0.090 0.000 1.286 209 K HN -0.419 nan 8.250 nan 0.000 0.439 210 S N 0.163 115.889 115.700 0.043 0.000 2.515 210 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 210 S C 1.261 175.872 174.600 0.018 0.000 0.987 210 S CA 1.254 59.470 58.200 0.026 0.000 0.936 210 S CB 0.010 63.217 63.200 0.011 0.000 0.766 210 S HN 0.678 nan 8.310 nan 0.000 0.528 211 S N 0.063 115.772 115.700 0.015 0.000 2.556 211 S HA 0.274 4.744 4.470 -0.001 0.000 0.216 211 S C 0.286 174.884 174.600 -0.003 0.000 0.970 211 S CA -0.375 57.827 58.200 0.002 0.000 0.912 211 S CB 0.216 63.413 63.200 -0.004 0.000 0.790 211 S HN 0.025 nan 8.310 nan 0.000 0.504 212 K N 1.796 122.203 120.400 0.012 0.000 2.203 212 K HA 0.439 4.758 4.320 -0.001 0.000 0.251 212 K C -0.378 176.248 176.600 0.044 0.000 0.944 212 K CA -0.425 55.865 56.287 0.004 0.000 0.829 212 K CB 1.749 34.242 32.500 -0.012 0.000 1.125 212 K HN 0.179 nan 8.250 nan 0.000 0.430 213 S N 2.478 118.213 115.700 0.058 0.000 2.549 213 S HA 0.121 4.591 4.470 -0.001 0.000 0.283 213 S C -1.411 173.346 174.600 0.261 0.000 1.320 213 S CA -1.090 57.191 58.200 0.136 0.000 1.058 213 S CB 0.410 63.706 63.200 0.160 0.000 0.882 213 S HN 0.314 nan 8.310 nan 0.000 0.498 214 P HA 0.197 nan 4.420 nan 0.000 0.237 214 P C 0.844 178.322 177.300 0.296 0.000 1.178 214 P CA 0.942 64.195 63.100 0.256 0.000 0.766 214 P CB -0.627 31.166 31.700 0.157 0.000 0.876 215 G N -1.151 107.808 108.800 0.264 0.000 2.610 215 G HA2 0.309 4.268 3.960 -0.001 0.000 0.304 215 G HA3 0.309 4.268 3.960 -0.001 0.000 0.304 215 G C -0.451 174.462 174.900 0.021 0.000 1.309 215 G CA -0.609 44.468 45.100 -0.039 0.000 0.906 215 G HN 0.578 nan 8.290 nan 0.000 0.521 216 G N -2.473 106.349 108.800 0.036 0.000 2.368 216 G HA2 0.688 4.647 3.960 -0.001 0.000 0.293 216 G HA3 0.688 4.647 3.960 -0.001 0.000 0.293 216 G C 0.564 175.551 174.900 0.145 0.000 1.467 216 G CA 0.918 46.063 45.100 0.075 0.000 0.804 216 G HN 2.198 nan 8.290 nan 0.000 0.535 217 S N -1.370 114.404 115.700 0.125 0.000 2.575 217 S HA 0.154 4.623 4.470 -0.001 0.000 0.215 217 S C 1.097 175.737 174.600 0.067 0.000 0.966 217 S CA 0.900 59.149 58.200 0.082 0.000 0.911 217 S CB 0.163 63.408 63.200 0.075 0.000 0.780 217 S HN 0.759 nan 8.310 nan 0.000 0.514 218 S N 1.645 117.391 115.700 0.076 0.000 2.849 218 S HA 0.395 4.864 4.470 -0.001 0.000 0.244 218 S C 1.417 176.054 174.600 0.061 0.000 1.297 218 S CA -0.181 58.062 58.200 0.072 0.000 1.241 218 S CB 0.129 63.382 63.200 0.088 0.000 0.958 218 S HN 0.641 nan 8.310 nan 0.000 0.489 219 G N 2.026 110.858 108.800 0.054 0.000 2.403 219 G HA2 0.002 3.961 3.960 -0.001 0.000 0.216 219 G HA3 0.002 3.961 3.960 -0.001 0.000 0.216 219 G C 1.361 176.291 174.900 0.049 0.000 1.154 219 G CA 0.457 45.592 45.100 0.058 0.000 0.784 219 G HN 0.598 nan 8.290 nan 0.000 0.538 220 G N 0.913 109.728 108.800 0.025 0.000 2.446 220 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.217 220 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.217 220 G C 1.624 176.527 174.900 0.004 0.000 1.168 220 G CA 1.227 46.327 45.100 0.000 0.000 0.771 220 G HN 0.346 nan 8.290 nan 0.000 0.551 221 E N 0.680 120.889 120.200 0.015 0.000 2.033 221 E HA -0.134 4.215 4.350 -0.001 0.000 0.199 221 E C 2.788 179.414 176.600 0.043 0.000 1.011 221 E CA 1.336 57.748 56.400 0.020 0.000 0.815 221 E CB -1.154 28.565 29.700 0.033 0.000 0.755 221 E HN 0.348 nan 8.360 nan 0.000 0.451 222 G N 1.111 109.950 108.800 0.065 0.000 2.446 222 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 222 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 222 G C 1.749 176.719 174.900 0.116 0.000 1.168 222 G CA 1.621 46.780 45.100 0.098 0.000 0.771 222 G HN 0.412 nan 8.290 nan 0.000 0.551 223 A N -0.125 122.754 122.820 0.098 0.000 2.019 223 A HA 0.113 4.432 4.320 -0.001 0.000 0.219 223 A C 2.315 179.935 177.584 0.061 0.000 1.164 223 A CA 1.530 53.621 52.037 0.089 0.000 0.644 223 A CB -0.276 18.763 19.000 0.065 0.000 0.805 223 A HN 0.375 nan 8.150 nan 0.000 0.449 224 L N -0.143 121.108 121.223 0.047 0.000 2.068 224 L HA 0.018 4.358 4.340 -0.001 0.000 0.204 224 L C 2.236 179.151 176.870 0.076 0.000 1.076 224 L CA 1.408 56.276 54.840 0.047 0.000 0.753 224 L CB -0.296 41.771 42.059 0.014 0.000 0.910 224 L HN 0.386 nan 8.230 nan 0.000 0.439 225 I N -0.654 119.962 120.570 0.076 0.000 2.233 225 I HA -0.038 4.132 4.170 -0.001 0.000 0.243 225 I C 1.395 177.575 176.117 0.105 0.000 1.093 225 I CA 0.823 62.175 61.300 0.086 0.000 1.380 225 I CB -1.496 36.544 38.000 0.067 0.000 1.067 225 I HN 0.290 nan 8.210 nan 0.000 0.413 226 G N 0.464 109.340 108.800 0.126 0.000 2.483 226 G HA2 0.245 4.205 3.960 -0.001 0.000 0.248 226 G HA3 0.245 4.205 3.960 -0.001 0.000 0.248 226 G C 0.891 175.828 174.900 0.063 0.000 1.248 226 G CA 0.595 45.778 45.100 0.140 0.000 0.838 226 G HN 0.526 nan 8.290 nan 0.000 0.566 227 S N -0.348 115.335 115.700 -0.029 0.000 2.981 227 S HA -0.139 4.331 4.470 -0.001 0.000 0.274 227 S C 1.832 176.436 174.600 0.008 0.000 1.297 227 S CA 1.308 59.471 58.200 -0.062 0.000 1.266 227 S CB -1.671 61.484 63.200 -0.073 0.000 1.542 227 S HN 3.005 nan 8.310 nan 0.000 0.674 228 G N 0.179 109.019 108.800 0.066 0.000 2.246 228 G HA2 0.064 4.023 3.960 -0.001 0.000 0.273 228 G HA3 0.064 4.023 3.960 -0.001 0.000 0.273 228 G C 1.078 176.116 174.900 0.230 0.000 1.055 228 G CA 0.743 45.922 45.100 0.133 0.000 0.851 228 G HN 1.957 nan 8.290 nan 0.000 0.500 229 G N -1.306 107.634 108.800 0.232 0.000 2.921 229 G HA2 0.487 4.446 3.960 -0.001 0.000 0.213 229 G HA3 0.487 4.446 3.960 -0.001 0.000 0.213 229 G C 0.506 175.669 174.900 0.439 0.000 1.143 229 G CA 1.300 46.589 45.100 0.315 0.000 0.764 229 G HN 1.522 nan 8.290 nan 0.000 0.542 230 S N -0.106 115.747 115.700 0.255 0.000 2.546 230 S HA 0.566 5.035 4.470 -0.001 0.000 0.272 230 S C -2.393 172.134 174.600 -0.121 0.000 1.140 230 S CA -1.139 57.087 58.200 0.043 0.000 0.920 230 S CB 2.572 65.879 63.200 0.177 0.000 1.083 230 S HN -0.094 nan 8.310 nan 0.000 0.476 231 P HA 0.263 nan 4.420 nan 0.000 0.241 231 P C -0.306 176.930 177.300 -0.106 0.000 1.191 231 P CA 0.177 63.144 63.100 -0.221 0.000 0.771 231 P CB -0.053 31.436 31.700 -0.351 0.000 0.929 232 L N -1.382 119.785 121.223 -0.094 0.000 2.703 232 L HA 0.706 5.045 4.340 -0.001 0.000 0.257 232 L C -1.287 175.552 176.870 -0.052 0.000 0.923 232 L CA -0.383 54.417 54.840 -0.065 0.000 0.936 232 L CB 1.426 43.434 42.059 -0.084 0.000 1.482 232 L HN 0.007 nan 8.230 nan 0.000 0.432 233 G N 2.896 111.663 108.800 -0.055 0.000 2.695 233 G HA2 0.691 4.650 3.960 -0.001 0.000 0.290 233 G HA3 0.691 4.650 3.960 -0.001 0.000 0.290 233 G C -2.438 172.399 174.900 -0.104 0.000 1.410 233 G CA -0.688 44.365 45.100 -0.078 0.000 0.844 233 G HN 0.503 nan 8.290 nan 0.000 0.478 234 L N 0.732 121.847 121.223 -0.180 0.000 2.356 234 L HA 0.776 5.115 4.340 -0.001 0.000 0.277 234 L C 0.731 177.597 176.870 -0.008 0.000 0.996 234 L CA -0.245 54.455 54.840 -0.235 0.000 0.822 234 L CB 1.460 43.106 42.059 -0.688 0.000 1.256 234 L HN 0.845 nan 8.230 nan 0.000 0.413 235 G N 1.026 109.935 108.800 0.182 0.000 2.932 235 G HA2 0.804 4.764 3.960 -0.001 0.000 0.283 235 G HA3 0.804 4.764 3.960 -0.001 0.000 0.283 235 G C -0.911 174.204 174.900 0.358 0.000 1.336 235 G CA -0.266 45.022 45.100 0.313 0.000 1.056 235 G HN 0.532 nan 8.290 nan 0.000 0.522 236 T N -2.108 112.559 114.554 0.189 0.000 2.916 236 T HA 0.681 5.031 4.350 -0.001 0.000 0.292 236 T C -1.722 173.008 174.700 0.050 0.000 1.064 236 T CA -0.791 61.358 62.100 0.082 0.000 1.011 236 T CB 2.651 71.481 68.868 -0.064 0.000 1.152 236 T HN 0.423 nan 8.240 nan 0.000 0.510 237 D N 0.216 120.632 120.400 0.027 0.000 2.452 237 D HA 0.306 4.946 4.640 -0.001 0.000 0.226 237 D C -0.470 175.829 176.300 -0.002 0.000 1.366 237 D CA -0.451 53.559 54.000 0.017 0.000 0.986 237 D CB 1.860 42.669 40.800 0.015 0.000 1.420 237 D HN 0.618 nan 8.370 nan 0.000 0.583 238 I N 1.776 122.339 120.570 -0.012 0.000 4.288 238 I HA 0.321 4.491 4.170 -0.001 0.000 0.331 238 I C 1.194 177.284 176.117 -0.046 0.000 1.322 238 I CA 0.215 61.493 61.300 -0.036 0.000 1.149 238 I CB 0.846 38.813 38.000 -0.056 0.000 1.112 238 I HN 0.462 nan 8.210 nan 0.000 0.403 239 G N -0.663 108.127 108.800 -0.018 0.000 3.873 239 G HA2 0.378 4.337 3.960 -0.001 0.000 0.232 239 G HA3 0.378 4.337 3.960 -0.001 0.000 0.232 239 G C 0.780 175.702 174.900 0.037 0.000 1.097 239 G CA 0.459 45.554 45.100 -0.009 0.000 0.889 239 G HN 0.385 nan 8.290 nan 0.000 0.532 240 G N 0.005 108.808 108.800 0.004 0.000 2.240 240 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.181 240 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.181 240 G C 0.933 175.805 174.900 -0.047 0.000 1.028 240 G CA 0.599 45.589 45.100 -0.183 0.000 0.760 240 G HN 0.259 nan 8.290 nan 0.000 0.508 241 S N -0.221 115.530 115.700 0.084 0.000 2.489 241 S HA 0.170 4.640 4.470 -0.001 0.000 0.228 241 S C 2.217 176.861 174.600 0.072 0.000 0.995 241 S CA 0.925 59.206 58.200 0.136 0.000 0.934 241 S CB -0.021 63.244 63.200 0.108 0.000 0.771 241 S HN 0.468 nan 8.310 nan 0.000 0.522 242 I N 0.836 121.421 120.570 0.025 0.000 2.500 242 I HA -0.076 4.094 4.170 -0.001 0.000 0.252 242 I C 2.485 178.586 176.117 -0.027 0.000 1.142 242 I CA 1.010 62.321 61.300 0.018 0.000 1.451 242 I CB 0.041 38.055 38.000 0.023 0.000 1.093 242 I HN 0.132 nan 8.210 nan 0.000 0.430 243 R N -0.736 119.694 120.500 -0.115 0.000 2.090 243 R HA 0.039 4.379 4.340 -0.001 0.000 0.219 243 R C 2.202 178.349 176.300 -0.255 0.000 1.100 243 R CA 0.800 56.780 56.100 -0.201 0.000 0.991 243 R CB -0.318 29.805 30.300 -0.293 0.000 0.893 243 R HN 0.081 nan 8.270 nan 0.000 0.443 244 F N 1.252 121.086 119.950 -0.194 0.000 2.043 244 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 244 F C -0.604 174.934 175.800 -0.435 0.000 1.118 244 F CA 1.576 59.313 58.000 -0.438 0.000 1.202 244 F CB -1.719 36.977 39.000 -0.507 0.000 0.965 244 F HN 0.028 nan 8.300 nan 0.000 0.482 245 P HA -0.068 nan 4.420 nan 0.000 0.219 245 P C 1.621 178.976 177.300 0.092 0.000 1.150 245 P CA 1.825 64.947 63.100 0.037 0.000 0.814 245 P CB -0.055 31.682 31.700 0.062 0.000 0.787 246 S N -0.088 115.645 115.700 0.054 0.000 2.368 246 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 246 S C 2.099 176.751 174.600 0.087 0.000 1.029 246 S CA 1.302 59.540 58.200 0.064 0.000 0.988 246 S CB -1.117 62.099 63.200 0.027 0.000 0.838 246 S HN 0.137 nan 8.310 nan 0.000 0.462 247 A N 1.078 123.953 122.820 0.092 0.000 1.902 247 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 247 A C 1.827 179.582 177.584 0.285 0.000 1.181 247 A CA 1.362 53.500 52.037 0.168 0.000 0.623 247 A CB -0.686 18.444 19.000 0.215 0.000 0.818 247 A HN 0.437 nan 8.150 nan 0.000 0.443 248 F N -0.595 119.382 119.950 0.045 0.000 2.219 248 F HA -0.047 4.479 4.527 -0.001 0.000 0.294 248 F C 2.597 178.375 175.800 -0.035 0.000 1.086 248 F CA 0.175 58.188 58.000 0.022 0.000 1.330 248 F CB -1.068 37.992 39.000 0.101 0.000 1.047 248 F HN 0.247 nan 8.300 nan 0.000 0.495 249 C N -0.831 118.621 119.300 0.254 0.000 2.495 249 C HA 0.445 4.905 4.460 -0.001 0.000 0.275 249 C C 1.746 176.889 174.990 0.254 0.000 1.392 249 C CA 0.649 59.831 59.018 0.273 0.000 1.766 249 C CB -0.876 27.044 27.740 0.300 0.000 1.933 249 C HN 0.714 nan 8.230 nan 0.000 0.519 250 G N 1.306 110.180 108.800 0.123 0.000 2.215 250 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.198 250 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.198 250 G C -0.291 174.690 174.900 0.135 0.000 1.047 250 G CA 0.273 45.416 45.100 0.072 0.000 0.747 250 G HN 0.675 nan 8.290 nan 0.000 0.495 251 I N -3.556 117.083 120.570 0.116 0.000 3.522 251 I HA 0.914 5.083 4.170 -0.001 0.000 0.292 251 I C 0.308 176.460 176.117 0.058 0.000 1.147 251 I CA -1.704 59.655 61.300 0.098 0.000 1.032 251 I CB 1.649 39.714 38.000 0.108 0.000 1.337 251 I HN 0.068 nan 8.210 nan 0.000 0.496 252 C N 1.008 120.336 119.300 0.046 0.000 2.382 252 C HA 0.931 5.390 4.460 -0.001 0.000 0.327 252 C C 0.315 175.317 174.990 0.020 0.000 1.250 252 C CA -0.099 58.934 59.018 0.025 0.000 1.707 252 C CB 0.268 28.022 27.740 0.023 0.000 2.272 252 C HN 0.982 nan 8.230 nan 0.000 0.506 253 G N 2.240 111.045 108.800 0.010 0.000 2.706 253 G HA2 0.649 4.608 3.960 -0.001 0.000 0.297 253 G HA3 0.649 4.608 3.960 -0.001 0.000 0.297 253 G C -2.059 172.843 174.900 0.004 0.000 1.403 253 G CA -0.331 44.774 45.100 0.008 0.000 0.954 253 G HN 0.680 nan 8.290 nan 0.000 0.500 254 L N 0.707 121.937 121.223 0.012 0.000 2.381 254 L HA 0.702 5.041 4.340 -0.001 0.000 0.274 254 L C -0.234 176.650 176.870 0.025 0.000 0.988 254 L CA -0.903 53.949 54.840 0.018 0.000 0.824 254 L CB 1.962 44.039 42.059 0.030 0.000 1.263 254 L HN 0.452 nan 8.230 nan 0.000 0.410 255 K N 6.733 127.144 120.400 0.019 0.000 2.268 255 K HA 0.495 4.814 4.320 -0.001 0.000 0.276 255 K C -2.508 174.108 176.600 0.026 0.000 1.080 255 K CA -1.670 54.632 56.287 0.025 0.000 0.910 255 K CB 0.960 33.469 32.500 0.014 0.000 1.163 255 K HN 0.406 nan 8.250 nan 0.000 0.465 256 P HA 0.007 nan 4.420 nan 0.000 0.272 256 P C -0.768 176.516 177.300 -0.027 0.000 1.254 256 P CA -0.236 62.878 63.100 0.024 0.000 0.795 256 P CB 0.377 32.114 31.700 0.062 0.000 1.022 257 T N 0.495 114.984 114.554 -0.108 0.000 2.934 257 T HA 0.077 4.426 4.350 -0.001 0.000 0.306 257 T C 1.900 176.499 174.700 -0.169 0.000 1.042 257 T CA 0.580 62.522 62.100 -0.264 0.000 1.145 257 T CB 0.122 68.576 68.868 -0.691 0.000 0.982 257 T HN 0.584 nan 8.240 nan 0.000 0.544 258 G N 2.286 111.004 108.800 -0.136 0.000 2.556 258 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.220 258 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.220 258 G C 1.122 176.046 174.900 0.040 0.000 1.156 258 G CA 0.721 45.801 45.100 -0.032 0.000 0.766 258 G HN 0.807 nan 8.290 nan 0.000 0.583 259 N N -0.480 118.258 118.700 0.063 0.000 2.313 259 N HA 0.084 4.823 4.740 -0.001 0.000 0.207 259 N C 1.960 177.713 175.510 0.404 0.000 1.141 259 N CA -0.359 52.841 53.050 0.250 0.000 0.830 259 N CB 0.080 38.785 38.487 0.362 0.000 1.008 259 N HN 0.063 nan 8.380 nan 0.000 0.481 260 R N 0.096 120.783 120.500 0.311 0.000 2.073 260 R HA 0.180 4.520 4.340 -0.001 0.000 0.229 260 R C 0.323 176.795 176.300 0.287 0.000 1.120 260 R CA 1.127 57.444 56.100 0.362 0.000 0.967 260 R CB 0.090 30.548 30.300 0.262 0.000 0.862 260 R HN 0.148 nan 8.270 nan 0.000 0.436 261 L N -0.733 120.618 121.223 0.214 0.000 2.313 261 L HA 0.413 4.753 4.340 -0.001 0.000 0.268 261 L C 0.123 177.099 176.870 0.177 0.000 1.010 261 L CA -1.083 53.871 54.840 0.190 0.000 0.814 261 L CB 1.640 43.793 42.059 0.157 0.000 1.304 261 L HN -0.035 nan 8.230 nan 0.000 0.441 262 S N -0.028 115.769 115.700 0.163 0.000 2.565 262 S HA 0.182 4.651 4.470 -0.001 0.000 0.276 262 S C 0.343 175.023 174.600 0.134 0.000 1.326 262 S CA -0.279 58.007 58.200 0.144 0.000 1.045 262 S CB 0.672 63.949 63.200 0.128 0.000 0.918 262 S HN 0.648 nan 8.310 nan 0.000 0.505 263 K N 2.609 123.076 120.400 0.111 0.000 2.414 263 K HA 0.167 4.486 4.320 -0.001 0.000 0.204 263 K C 1.549 178.197 176.600 0.079 0.000 1.026 263 K CA -0.106 56.236 56.287 0.091 0.000 1.108 263 K CB 0.155 32.704 32.500 0.082 0.000 0.855 263 K HN 0.571 nan 8.250 nan 0.000 0.517 264 S N 0.174 115.923 115.700 0.082 0.000 2.348 264 S HA -0.087 4.382 4.470 -0.001 0.000 0.221 264 S C 1.549 176.178 174.600 0.048 0.000 1.033 264 S CA 1.543 59.779 58.200 0.061 0.000 1.010 264 S CB 0.025 63.260 63.200 0.058 0.000 0.891 264 S HN 0.513 nan 8.310 nan 0.000 0.442 265 G N 0.589 109.427 108.800 0.063 0.000 3.609 265 G HA2 0.420 4.379 3.960 -0.001 0.000 0.280 265 G HA3 0.420 4.379 3.960 -0.001 0.000 0.280 265 G C -0.374 174.564 174.900 0.065 0.000 1.155 265 G CA -0.320 44.814 45.100 0.058 0.000 0.876 265 G HN 0.316 nan 8.290 nan 0.000 0.535 266 L N 0.717 121.971 121.223 0.052 0.000 2.276 266 L HA 0.426 4.765 4.340 -0.001 0.000 0.286 266 L C 0.314 177.221 176.870 0.061 0.000 1.061 266 L CA -0.636 54.199 54.840 -0.009 0.000 0.807 266 L CB 1.622 43.637 42.059 -0.074 0.000 1.177 266 L HN -0.090 nan 8.230 nan 0.000 0.429 267 K N 2.088 122.494 120.400 0.010 0.000 2.297 267 K HA 0.611 4.930 4.320 -0.001 0.000 0.286 267 K C -0.083 176.506 176.600 -0.018 0.000 1.053 267 K CA 0.061 56.389 56.287 0.069 0.000 0.940 267 K CB 0.871 33.390 32.500 0.031 0.000 1.019 267 K HN 0.669 nan 8.250 nan 0.000 0.475 268 G N 1.060 109.819 108.800 -0.068 0.000 2.818 268 G HA2 0.321 4.280 3.960 -0.001 0.000 0.286 268 G HA3 0.321 4.280 3.960 -0.001 0.000 0.286 268 G C 0.001 174.642 174.900 -0.431 0.000 1.364 268 G CA -0.425 44.492 45.100 -0.305 0.000 0.938 268 G HN 0.841 nan 8.290 nan 0.000 0.490 269 C N -1.408 117.693 119.300 -0.331 0.000 3.228 269 C HA 0.614 5.073 4.460 -0.001 0.000 0.290 269 C C 0.461 175.323 174.990 -0.213 0.000 1.301 269 C CA -0.248 58.636 59.018 -0.223 0.000 1.703 269 C CB -0.779 26.913 27.740 -0.080 0.000 2.141 269 C HN 0.813 nan 8.230 nan 0.000 0.656 270 V N 1.054 120.773 119.914 -0.324 0.000 2.733 270 V HA 0.727 4.847 4.120 -0.001 0.000 0.306 270 V C -2.019 173.884 176.094 -0.320 0.000 1.084 270 V CA -0.427 61.756 62.300 -0.194 0.000 0.905 270 V CB 1.732 33.581 31.823 0.043 0.000 1.010 270 V HN 0.364 nan 8.190 nan 0.000 0.424 271 Y N 4.040 124.373 120.300 0.055 0.000 2.524 271 Y HA 0.817 5.367 4.550 -0.001 0.000 0.344 271 Y C 1.174 177.100 175.900 0.043 0.000 1.012 271 Y CA -0.014 58.110 58.100 0.040 0.000 1.068 271 Y CB 2.477 40.957 38.460 0.034 0.000 1.249 271 Y HN 1.122 nan 8.280 nan 0.000 0.468 272 G N 0.835 109.762 108.800 0.211 0.000 2.159 272 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.227 272 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.227 272 G C -0.132 174.827 174.900 0.099 0.000 0.986 272 G CA -0.477 44.705 45.100 0.138 0.000 0.651 272 G HN 0.474 nan 8.290 nan 0.000 0.523 273 Q N 1.093 120.940 119.800 0.079 0.000 2.294 273 Q HA 0.534 4.873 4.340 -0.001 0.000 0.257 273 Q C 1.238 177.260 176.000 0.037 0.000 0.955 273 Q CA 0.904 56.733 55.803 0.043 0.000 0.936 273 Q CB 0.972 29.714 28.738 0.007 0.000 1.188 273 Q HN 0.557 nan 8.270 nan 0.000 0.420 274 T N -0.562 114.014 114.554 0.037 0.000 3.016 274 T HA 0.468 4.817 4.350 -0.001 0.000 0.271 274 T C 0.265 174.979 174.700 0.022 0.000 0.968 274 T CA 0.049 62.172 62.100 0.038 0.000 0.891 274 T CB 0.568 69.470 68.868 0.056 0.000 1.149 274 T HN 0.444 nan 8.240 nan 0.000 0.524 275 A N 1.764 124.589 122.820 0.009 0.000 2.288 275 A HA 0.737 5.056 4.320 -0.001 0.000 0.320 275 A C 0.052 177.611 177.584 -0.042 0.000 1.217 275 A CA -0.691 51.341 52.037 -0.009 0.000 0.840 275 A CB 0.464 19.463 19.000 -0.002 0.000 1.179 275 A HN 1.013 nan 8.150 nan 0.000 0.504 276 V N 2.230 122.112 119.914 -0.053 0.000 3.480 276 V HA -0.153 3.966 4.120 -0.001 0.000 0.494 276 V C -0.468 175.595 176.094 -0.051 0.000 0.682 276 V CA 0.422 62.680 62.300 -0.070 0.000 2.039 276 V CB -1.238 30.522 31.823 -0.106 0.000 2.474 276 V HN 1.000 nan 8.190 nan 0.000 0.505 277 Q N 3.083 122.857 119.800 -0.043 0.000 2.271 277 Q HA 0.650 4.989 4.340 -0.001 0.000 0.258 277 Q C -0.248 175.737 176.000 -0.025 0.000 0.936 277 Q CA -0.900 54.887 55.803 -0.027 0.000 0.909 277 Q CB 2.209 30.931 28.738 -0.028 0.000 1.253 277 Q HN 0.730 nan 8.270 nan 0.000 0.440 278 L N 1.839 123.054 121.223 -0.013 0.000 2.349 278 L HA 0.353 4.692 4.340 -0.001 0.000 0.275 278 L C -0.763 176.112 176.870 0.008 0.000 1.115 278 L CA 0.537 55.371 54.840 -0.009 0.000 0.820 278 L CB 1.039 43.092 42.059 -0.011 0.000 1.135 278 L HN 0.478 nan 8.230 nan 0.000 0.445 279 S N 5.097 120.806 115.700 0.015 0.000 2.541 279 S HA 0.702 5.171 4.470 -0.001 0.000 0.280 279 S C -0.848 173.791 174.600 0.065 0.000 1.112 279 S CA -0.780 57.443 58.200 0.039 0.000 0.925 279 S CB 1.541 64.758 63.200 0.029 0.000 1.067 279 S HN 0.686 nan 8.310 nan 0.000 0.479 280 L N 0.326 121.614 121.223 0.109 0.000 2.352 280 L HA 1.104 5.443 4.340 -0.001 0.000 0.269 280 L C 0.346 177.310 176.870 0.156 0.000 1.034 280 L CA -0.388 54.566 54.840 0.190 0.000 0.806 280 L CB 0.847 43.106 42.059 0.332 0.000 1.244 280 L HN 0.823 nan 8.230 nan 0.000 0.447 281 G N -0.123 108.770 108.800 0.154 0.000 2.430 281 G HA2 0.512 4.471 3.960 -0.001 0.000 0.300 281 G HA3 0.512 4.471 3.960 -0.001 0.000 0.300 281 G C -3.307 171.620 174.900 0.045 0.000 1.330 281 G CA -0.810 44.341 45.100 0.085 0.000 0.813 281 G HN 0.548 nan 8.290 nan 0.000 0.487 282 P HA 0.474 nan 4.420 nan 0.000 0.278 282 P C -0.832 176.468 177.300 -0.001 0.000 1.238 282 P CA -0.059 63.032 63.100 -0.015 0.000 0.794 282 P CB 1.198 32.879 31.700 -0.032 0.000 0.955 283 M N 1.830 121.426 119.600 -0.008 0.000 2.326 283 M HA 0.698 5.177 4.480 -0.001 0.000 0.306 283 M C -0.399 175.901 176.300 -0.000 0.000 1.054 283 M CA -0.325 54.979 55.300 0.006 0.000 0.922 283 M CB 2.615 35.227 32.600 0.019 0.000 1.632 283 M HN 0.470 nan 8.290 nan 0.000 0.436 284 A N 1.909 124.736 122.820 0.011 0.000 2.515 284 A HA 0.624 4.943 4.320 -0.001 0.000 0.299 284 A C -0.210 177.395 177.584 0.035 0.000 1.179 284 A CA -0.700 51.344 52.037 0.012 0.000 0.656 284 A CB 1.396 20.393 19.000 -0.005 0.000 1.306 284 A HN 0.871 nan 8.150 nan 0.000 0.459 285 R N -0.381 120.143 120.500 0.041 0.000 2.240 285 R HA 0.082 4.422 4.340 -0.001 0.000 0.203 285 R C -0.707 175.625 176.300 0.053 0.000 1.011 285 R CA 1.552 57.688 56.100 0.060 0.000 1.007 285 R CB -0.043 30.299 30.300 0.070 0.000 0.911 285 R HN 0.858 nan 8.270 nan 0.000 0.468 286 D N -3.329 117.095 120.400 0.040 0.000 2.615 286 D HA -0.002 4.637 4.640 -0.001 0.000 0.267 286 D C 0.406 176.728 176.300 0.037 0.000 1.236 286 D CA -0.740 53.284 54.000 0.039 0.000 0.839 286 D CB 1.283 42.109 40.800 0.044 0.000 1.380 286 D HN -0.203 nan 8.370 nan 0.000 0.433 287 V N -0.651 119.292 119.914 0.049 0.000 3.129 287 V HA 0.043 4.162 4.120 -0.001 0.000 0.259 287 V C 1.338 177.483 176.094 0.085 0.000 1.116 287 V CA 1.341 63.679 62.300 0.063 0.000 1.127 287 V CB -0.528 31.340 31.823 0.076 0.000 0.742 287 V HN 0.580 nan 8.190 nan 0.000 0.474 288 E N 1.037 121.300 120.200 0.104 0.000 2.152 288 E HA -0.068 4.281 4.350 -0.001 0.000 0.192 288 E C 2.362 178.970 176.600 0.013 0.000 0.983 288 E CA 1.504 57.976 56.400 0.120 0.000 0.818 288 E CB -0.183 29.593 29.700 0.127 0.000 0.758 288 E HN 0.709 nan 8.360 nan 0.000 0.467 289 S N 0.324 116.025 115.700 0.002 0.000 2.382 289 S HA -0.098 4.371 4.470 -0.001 0.000 0.228 289 S C 1.857 176.416 174.600 -0.068 0.000 1.027 289 S CA 0.777 58.958 58.200 -0.032 0.000 0.991 289 S CB -0.143 63.048 63.200 -0.015 0.000 0.823 289 S HN 0.202 nan 8.310 nan 0.000 0.469 290 L N 0.970 122.159 121.223 -0.056 0.000 2.109 290 L HA 0.018 4.358 4.340 -0.001 0.000 0.207 290 L C 2.727 179.508 176.870 -0.149 0.000 1.086 290 L CA 1.030 55.827 54.840 -0.072 0.000 0.760 290 L CB -0.630 41.414 42.059 -0.026 0.000 0.910 290 L HN 0.308 nan 8.230 nan 0.000 0.437 291 A N -0.196 122.490 122.820 -0.223 0.000 2.014 291 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 291 A C 2.303 179.548 177.584 -0.564 0.000 1.163 291 A CA 0.945 52.685 52.037 -0.495 0.000 0.652 291 A CB -0.458 18.067 19.000 -0.791 0.000 0.808 291 A HN 0.335 nan 8.150 nan 0.000 0.449 292 L N -0.655 120.380 121.223 -0.313 0.000 1.994 292 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 292 L C 2.816 179.527 176.870 -0.266 0.000 1.071 292 L CA 2.052 56.738 54.840 -0.258 0.000 0.745 292 L CB -0.345 41.632 42.059 -0.136 0.000 0.892 292 L HN 0.662 nan 8.230 nan 0.000 0.431 293 C N -0.662 118.515 119.300 -0.205 0.000 2.467 293 C HA -0.060 4.399 4.460 -0.001 0.000 0.279 293 C C 2.668 177.559 174.990 -0.164 0.000 1.347 293 C CA -0.119 58.806 59.018 -0.156 0.000 1.748 293 C CB -0.775 26.897 27.740 -0.113 0.000 1.977 293 C HN 0.506 nan 8.230 nan 0.000 0.501 294 L N 1.085 122.184 121.223 -0.206 0.000 2.046 294 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 294 L C 2.721 179.451 176.870 -0.234 0.000 1.077 294 L CA 2.239 56.987 54.840 -0.153 0.000 0.747 294 L CB -0.854 41.165 42.059 -0.067 0.000 0.896 294 L HN 0.453 nan 8.230 nan 0.000 0.432 295 K N -0.159 119.880 120.400 -0.601 0.000 2.057 295 K HA -0.171 4.148 4.320 -0.001 0.000 0.207 295 K C 1.967 178.435 176.600 -0.220 0.000 1.049 295 K CA 1.462 57.435 56.287 -0.524 0.000 0.931 295 K CB -0.060 31.985 32.500 -0.759 0.000 0.714 295 K HN 0.338 nan 8.250 nan 0.000 0.440 296 A N 0.466 123.165 122.820 -0.201 0.000 1.969 296 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 296 A C 1.971 179.490 177.584 -0.109 0.000 1.169 296 A CA 1.137 53.097 52.037 -0.128 0.000 0.635 296 A CB -0.348 18.586 19.000 -0.110 0.000 0.810 296 A HN 0.311 nan 8.150 nan 0.000 0.445 297 L N -1.089 120.069 121.223 -0.108 0.000 2.249 297 L HA 0.098 4.437 4.340 -0.001 0.000 0.207 297 L C 0.239 177.012 176.870 -0.162 0.000 1.090 297 L CA -0.096 54.684 54.840 -0.100 0.000 0.802 297 L CB -0.119 41.908 42.059 -0.053 0.000 0.947 297 L HN 0.159 nan 8.230 nan 0.000 0.453 298 L N 1.908 123.064 121.223 -0.111 0.000 2.376 298 L HA 0.101 4.440 4.340 -0.001 0.000 0.250 298 L C 0.002 176.700 176.870 -0.286 0.000 1.335 298 L CA -0.194 54.578 54.840 -0.115 0.000 1.214 298 L CB -1.164 41.018 42.059 0.205 0.000 1.395 298 L HN 0.334 nan 8.230 nan 0.000 0.424 299 C N -2.065 116.814 119.300 -0.701 0.000 3.291 299 C HA 0.747 5.206 4.460 -0.001 0.000 0.316 299 C C 1.579 176.168 174.990 -0.669 0.000 1.391 299 C CA -0.167 58.556 59.018 -0.492 0.000 1.394 299 C CB 1.354 28.914 27.740 -0.299 0.000 1.744 299 C HN 0.535 nan 8.230 nan 0.000 0.461 300 E N -0.695 119.310 120.200 -0.326 0.000 2.204 300 E HA -0.178 4.171 4.350 -0.001 0.000 0.195 300 E C 1.523 178.068 176.600 -0.092 0.000 0.990 300 E CA 2.116 58.436 56.400 -0.133 0.000 0.821 300 E CB -0.949 28.705 29.700 -0.077 0.000 0.750 300 E HN 0.874 nan 8.360 nan 0.000 0.477 301 H N -0.600 118.396 119.070 -0.123 0.000 2.353 301 H HA 0.015 4.570 4.556 -0.001 0.000 0.300 301 H C 2.283 177.546 175.328 -0.110 0.000 1.090 301 H CA 1.432 57.424 56.048 -0.093 0.000 1.327 301 H CB -0.500 29.207 29.762 -0.091 0.000 1.383 301 H HN 0.410 nan 8.280 nan 0.000 0.508 302 L N -0.132 121.020 121.223 -0.119 0.000 2.156 302 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 302 L C 1.410 178.282 176.870 0.003 0.000 1.095 302 L CA 0.879 55.633 54.840 -0.143 0.000 0.770 302 L CB -0.177 41.696 42.059 -0.310 0.000 0.914 302 L HN 0.001 nan 8.230 nan 0.000 0.439 303 F N -1.453 118.528 119.950 0.050 0.000 2.811 303 F HA 0.054 4.580 4.527 -0.001 0.000 0.301 303 F C 2.186 178.005 175.800 0.033 0.000 1.151 303 F CA 0.458 58.478 58.000 0.033 0.000 1.412 303 F CB -1.123 37.886 39.000 0.015 0.000 1.113 303 F HN -0.007 nan 8.300 nan 0.000 0.579 304 T N -0.259 114.403 114.554 0.179 0.000 3.044 304 T HA 0.240 4.590 4.350 -0.001 0.000 0.237 304 T C 0.599 175.352 174.700 0.089 0.000 1.001 304 T CA 0.141 62.314 62.100 0.122 0.000 1.160 304 T CB -0.070 68.864 68.868 0.111 0.000 0.889 304 T HN -0.118 nan 8.240 nan 0.000 0.442 305 L N 2.724 123.993 121.223 0.076 0.000 2.325 305 L HA 0.508 4.847 4.340 -0.001 0.000 0.284 305 L C -0.439 176.475 176.870 0.074 0.000 1.089 305 L CA -0.376 54.497 54.840 0.055 0.000 0.836 305 L CB -0.079 41.997 42.059 0.029 0.000 1.184 305 L HN 0.074 nan 8.230 nan 0.000 0.444 306 D N 2.515 122.960 120.400 0.074 0.000 3.335 306 D HA -0.083 4.557 4.640 -0.001 0.000 0.254 306 D C -1.973 174.398 176.300 0.119 0.000 1.055 306 D CA -0.091 53.964 54.000 0.092 0.000 0.971 306 D CB 0.041 40.901 40.800 0.100 0.000 0.990 306 D HN 0.403 nan 8.370 nan 0.000 0.423 307 P HA -0.000 nan 4.420 nan 0.000 0.249 307 P C 1.401 178.733 177.300 0.053 0.000 1.241 307 P CA 0.905 64.051 63.100 0.076 0.000 0.781 307 P CB 0.096 31.826 31.700 0.050 0.000 1.088 308 T N -4.072 110.521 114.554 0.065 0.000 2.951 308 T HA 0.001 4.351 4.350 -0.001 0.000 0.268 308 T C 0.845 175.585 174.700 0.068 0.000 1.073 308 T CA 0.309 62.444 62.100 0.057 0.000 1.134 308 T CB -0.919 67.986 68.868 0.062 0.000 0.884 308 T HN -0.168 nan 8.240 nan 0.000 0.479 309 V N 4.834 124.809 119.914 0.103 0.000 2.572 309 V HA 0.261 4.380 4.120 -0.001 0.000 0.291 309 V C -1.961 174.129 176.094 -0.007 0.000 1.039 309 V CA -1.877 60.497 62.300 0.123 0.000 1.055 309 V CB 0.453 32.420 31.823 0.240 0.000 0.969 309 V HN 0.394 nan 8.190 nan 0.000 0.482 310 P HA 0.193 nan 4.420 nan 0.000 0.271 310 P C -2.485 174.502 177.300 -0.522 0.000 1.226 310 P CA -1.696 61.227 63.100 -0.296 0.000 0.765 310 P CB 0.273 31.723 31.700 -0.416 0.000 0.835 311 P HA 0.171 nan 4.420 nan 0.000 0.226 311 P C -0.348 176.338 177.300 -1.023 0.000 1.783 311 P CA 0.012 62.139 63.100 -1.623 0.000 0.980 311 P CB -0.115 31.012 31.700 -0.956 0.000 1.967 312 L N 3.809 124.645 121.223 -0.644 0.000 2.278 312 L HA 0.326 4.665 4.340 -0.001 0.000 0.287 312 L C -1.650 175.268 176.870 0.081 0.000 1.072 312 L CA -2.071 52.637 54.840 -0.220 0.000 0.819 312 L CB 0.676 42.652 42.059 -0.139 0.000 1.176 312 L HN 0.053 nan 8.230 nan 0.000 0.435 313 P HA -0.007 nan 4.420 nan 0.000 0.274 313 P C -0.491 176.949 177.300 0.233 0.000 1.237 313 P CA -0.467 62.809 63.100 0.294 0.000 0.793 313 P CB 0.614 32.434 31.700 0.201 0.000 0.977 314 F N 2.317 122.337 119.950 0.115 0.000 2.602 314 F HA 0.034 4.561 4.527 -0.001 0.000 0.385 314 F C 1.127 176.966 175.800 0.065 0.000 1.063 314 F CA 0.393 58.435 58.000 0.069 0.000 1.233 314 F CB 0.289 39.305 39.000 0.027 0.000 1.067 314 F HN 0.134 nan 8.300 nan 0.000 0.564 315 R N 5.359 125.623 120.500 -0.392 0.000 2.233 315 R HA 0.061 4.401 4.340 -0.001 0.000 0.334 315 R C 0.866 177.019 176.300 -0.245 0.000 1.037 315 R CA -0.320 55.652 56.100 -0.214 0.000 0.920 315 R CB 1.071 31.267 30.300 -0.172 0.000 1.137 315 R HN 0.738 nan 8.270 nan 0.000 0.492 316 E N 2.542 122.772 120.200 0.050 0.000 2.106 316 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 316 E C 1.626 178.321 176.600 0.158 0.000 0.984 316 E CA 1.525 58.069 56.400 0.240 0.000 0.806 316 E CB 0.338 30.201 29.700 0.272 0.000 0.750 316 E HN 0.554 nan 8.360 nan 0.000 0.458 317 E N 0.293 120.535 120.200 0.069 0.000 2.268 317 E HA -0.118 4.231 4.350 -0.001 0.000 0.195 317 E C 1.904 178.516 176.600 0.020 0.000 0.995 317 E CA 1.127 57.551 56.400 0.040 0.000 0.836 317 E CB -0.262 29.452 29.700 0.023 0.000 0.763 317 E HN 0.297 nan 8.360 nan 0.000 0.491 318 V N 0.379 120.294 119.914 0.003 0.000 2.535 318 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 318 V C 2.258 178.382 176.094 0.049 0.000 1.045 318 V CA 1.337 63.635 62.300 -0.004 0.000 1.058 318 V CB -0.928 30.864 31.823 -0.052 0.000 0.689 318 V HN 0.208 nan 8.190 nan 0.000 0.461 319 Y N 1.574 121.835 120.300 -0.065 0.000 2.293 319 Y HA -0.075 4.475 4.550 -0.001 0.000 0.291 319 Y C 2.402 178.346 175.900 0.074 0.000 1.137 319 Y CA 1.435 59.554 58.100 0.031 0.000 1.202 319 Y CB -0.045 38.500 38.460 0.143 0.000 0.990 319 Y HN 0.030 nan 8.280 nan 0.000 0.537 320 R N 0.020 120.453 120.500 -0.111 0.000 2.317 320 R HA 0.111 4.450 4.340 -0.001 0.000 0.208 320 R C 0.749 176.989 176.300 -0.100 0.000 0.914 320 R CA 0.259 56.248 56.100 -0.185 0.000 1.060 320 R CB -0.146 30.121 30.300 -0.055 0.000 1.015 320 R HN 0.114 nan 8.270 nan 0.000 0.498 321 S N 0.966 116.636 115.700 -0.051 0.000 2.537 321 S HA 0.026 4.496 4.470 -0.001 0.000 0.286 321 S C 0.816 175.412 174.600 -0.007 0.000 1.299 321 S CA -0.123 58.068 58.200 -0.015 0.000 1.067 321 S CB 0.598 63.800 63.200 0.005 0.000 0.864 321 S HN 0.248 nan 8.310 nan 0.000 0.494 322 S N 2.693 118.396 115.700 0.005 0.000 2.575 322 S HA 0.232 4.702 4.470 -0.001 0.000 0.237 322 S C 0.783 175.409 174.600 0.042 0.000 0.975 322 S CA -0.393 57.822 58.200 0.025 0.000 0.960 322 S CB -0.002 63.202 63.200 0.007 0.000 0.822 322 S HN 0.870 nan 8.310 nan 0.000 0.472 323 R N 3.288 123.813 120.500 0.042 0.000 2.449 323 R HA 0.391 4.730 4.340 -0.001 0.000 0.296 323 R C -2.727 173.624 176.300 0.085 0.000 1.047 323 R CA -1.556 54.567 56.100 0.038 0.000 1.018 323 R CB -1.584 28.731 30.300 0.026 0.000 0.962 323 R HN 0.227 nan 8.270 nan 0.000 0.428 324 P HA -0.015 nan 4.420 nan 0.000 0.258 324 P C -0.732 176.665 177.300 0.162 0.000 1.172 324 P CA 0.276 63.407 63.100 0.051 0.000 0.762 324 P CB 0.282 31.937 31.700 -0.075 0.000 0.764 325 L N 4.504 125.953 121.223 0.376 0.000 2.343 325 L HA 0.385 4.724 4.340 -0.001 0.000 0.275 325 L C 1.311 178.198 176.870 0.028 0.000 1.056 325 L CA -0.715 54.186 54.840 0.102 0.000 0.804 325 L CB 0.909 42.936 42.059 -0.054 0.000 1.203 325 L HN 0.172 nan 8.230 nan 0.000 0.440 326 R N 2.397 122.851 120.500 -0.077 0.000 2.210 326 R HA 0.373 4.712 4.340 -0.001 0.000 0.338 326 R C -1.172 174.979 176.300 -0.249 0.000 1.062 326 R CA -0.505 55.521 56.100 -0.123 0.000 0.902 326 R CB 0.777 31.000 30.300 -0.129 0.000 1.050 326 R HN 0.281 nan 8.270 nan 0.000 0.461 327 V N 2.814 122.601 119.914 -0.211 0.000 2.347 327 V HA 0.283 4.403 4.120 -0.001 0.000 0.280 327 V C 0.903 176.879 176.094 -0.196 0.000 1.021 327 V CA -0.847 61.270 62.300 -0.306 0.000 0.847 327 V CB 1.518 33.190 31.823 -0.253 0.000 0.990 327 V HN 0.912 nan 8.190 nan 0.000 0.444 328 G N 4.340 112.927 108.800 -0.356 0.000 2.441 328 G HA2 0.392 4.351 3.960 -0.001 0.000 0.243 328 G HA3 0.392 4.351 3.960 -0.001 0.000 0.243 328 G C -0.856 174.054 174.900 0.017 0.000 1.281 328 G CA 0.084 45.038 45.100 -0.242 0.000 0.854 328 G HN 0.964 nan 8.290 nan 0.000 0.560 329 Y N 1.010 121.340 120.300 0.050 0.000 2.504 329 Y HA 0.695 5.244 4.550 -0.001 0.000 0.344 329 Y C -1.258 174.783 175.900 0.235 0.000 1.023 329 Y CA -2.152 55.988 58.100 0.066 0.000 1.020 329 Y CB 1.344 39.826 38.460 0.037 0.000 1.282 329 Y HN 0.788 nan 8.280 nan 0.000 0.454 330 Y N 0.367 120.752 120.300 0.141 0.000 2.553 330 Y HA 0.661 5.210 4.550 -0.001 0.000 0.347 330 Y C -0.046 176.015 175.900 0.268 0.000 1.019 330 Y CA -1.216 56.945 58.100 0.102 0.000 1.032 330 Y CB 2.108 40.623 38.460 0.091 0.000 1.284 330 Y HN 0.719 nan 8.280 nan 0.000 0.466 331 E N 0.448 120.918 120.200 0.449 0.000 2.276 331 E HA 0.077 4.426 4.350 -0.001 0.000 0.193 331 E C -0.052 176.795 176.600 0.412 0.000 0.983 331 E CA 0.810 57.427 56.400 0.362 0.000 0.861 331 E CB 0.695 30.576 29.700 0.303 0.000 0.817 331 E HN 0.675 nan 8.360 nan 0.000 0.485 332 T N -0.257 114.595 114.554 0.497 0.000 2.868 332 T HA 0.091 4.440 4.350 -0.001 0.000 0.306 332 T C -1.074 173.880 174.700 0.424 0.000 1.224 332 T CA -0.720 61.709 62.100 0.549 0.000 1.012 332 T CB 1.478 70.620 68.868 0.456 0.000 1.221 332 T HN 0.009 nan 8.240 nan 0.000 0.499 333 D N 1.270 121.857 120.400 0.311 0.000 2.349 333 D HA 0.116 4.756 4.640 -0.001 0.000 0.214 333 D C 0.529 176.790 176.300 -0.065 0.000 1.063 333 D CA -0.042 53.919 54.000 -0.065 0.000 0.847 333 D CB -0.839 39.788 40.800 -0.288 0.000 0.933 333 D HN 0.825 nan 8.370 nan 0.000 0.513 334 N N -1.876 116.792 118.700 -0.053 0.000 2.753 334 N HA -0.325 4.415 4.740 -0.001 0.000 0.251 334 N C -0.241 175.177 175.510 -0.154 0.000 1.097 334 N CA 1.120 53.924 53.050 -0.410 0.000 0.786 334 N CB -1.596 36.667 38.487 -0.373 0.000 1.137 334 N HN 0.360 nan 8.380 nan 0.000 0.566 335 Y N -0.263 120.113 120.300 0.128 0.000 2.886 335 Y HA 0.257 4.806 4.550 -0.001 0.000 0.244 335 Y C 0.516 176.743 175.900 0.545 0.000 1.017 335 Y CA 0.732 59.056 58.100 0.373 0.000 1.389 335 Y CB 0.811 39.337 38.460 0.109 0.000 1.477 335 Y HN -0.056 nan 8.280 nan 0.000 0.466 336 T N 3.138 118.050 114.554 0.596 0.000 2.767 336 T HA 0.298 4.647 4.350 -0.001 0.000 0.284 336 T C -0.395 174.707 174.700 0.671 0.000 0.973 336 T CA -0.477 61.973 62.100 0.584 0.000 0.996 336 T CB 0.878 70.082 68.868 0.559 0.000 0.927 336 T HN 0.166 nan 8.240 nan 0.000 0.456 337 M N 4.471 124.308 119.600 0.395 0.000 2.228 337 M HA 0.220 4.699 4.480 -0.001 0.000 0.351 337 M C -2.190 174.359 176.300 0.414 0.000 1.233 337 M CA -1.781 53.625 55.300 0.177 0.000 1.129 337 M CB 0.784 33.092 32.600 -0.488 0.000 1.604 337 M HN 0.254 nan 8.290 nan 0.000 0.457 338 P HA 0.059 nan 4.420 nan 0.000 0.268 338 P C -1.009 176.472 177.300 0.301 0.000 1.205 338 P CA -0.277 62.970 63.100 0.245 0.000 0.771 338 P CB 0.448 32.258 31.700 0.183 0.000 0.858 339 S N 4.148 119.958 115.700 0.183 0.000 2.573 339 S HA 0.078 4.548 4.470 -0.001 0.000 0.277 339 S C -1.405 173.254 174.600 0.099 0.000 1.346 339 S CA -0.718 57.545 58.200 0.104 0.000 1.034 339 S CB -0.653 62.522 63.200 -0.041 0.000 0.879 339 S HN 0.359 nan 8.310 nan 0.000 0.528 340 P HA -0.274 nan 4.420 nan 0.000 0.217 340 P C 1.562 178.875 177.300 0.022 0.000 1.158 340 P CA 2.313 65.446 63.100 0.055 0.000 0.887 340 P CB -0.433 31.291 31.700 0.041 0.000 0.792 341 A N -1.253 121.564 122.820 -0.006 0.000 1.933 341 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 341 A C 2.423 179.992 177.584 -0.026 0.000 1.175 341 A CA 2.140 54.160 52.037 -0.028 0.000 0.628 341 A CB -1.422 17.544 19.000 -0.058 0.000 0.814 341 A HN 0.128 nan 8.150 nan 0.000 0.444 342 M N -1.262 118.327 119.600 -0.018 0.000 2.086 342 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 342 M C 2.357 178.654 176.300 -0.004 0.000 1.067 342 M CA 2.120 57.403 55.300 -0.028 0.000 1.116 342 M CB -0.134 32.443 32.600 -0.038 0.000 1.348 342 M HN 0.548 nan 8.290 nan 0.000 0.407 343 R N -0.052 120.468 120.500 0.032 0.000 2.075 343 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 343 R C 2.186 178.509 176.300 0.038 0.000 1.126 343 R CA 1.653 57.788 56.100 0.058 0.000 0.963 343 R CB -0.395 29.956 30.300 0.086 0.000 0.858 343 R HN 0.236 nan 8.270 nan 0.000 0.435 344 R N 0.063 120.575 120.500 0.021 0.000 2.073 344 R HA -0.066 4.273 4.340 -0.001 0.000 0.234 344 R C 2.166 178.463 176.300 -0.005 0.000 1.134 344 R CA 1.505 57.610 56.100 0.008 0.000 0.952 344 R CB -0.443 29.859 30.300 0.002 0.000 0.850 344 R HN 0.365 nan 8.270 nan 0.000 0.433 345 A N 1.767 124.578 122.820 -0.015 0.000 1.892 345 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 345 A C 2.152 179.721 177.584 -0.025 0.000 1.188 345 A CA 1.351 53.371 52.037 -0.027 0.000 0.631 345 A CB -0.771 18.207 19.000 -0.038 0.000 0.822 345 A HN 0.405 nan 8.150 nan 0.000 0.447 346 L N -0.140 121.076 121.223 -0.011 0.000 1.976 346 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 346 L C 2.469 179.331 176.870 -0.012 0.000 1.071 346 L CA 2.293 57.133 54.840 -0.001 0.000 0.746 346 L CB -0.874 41.206 42.059 0.035 0.000 0.890 346 L HN 0.482 nan 8.230 nan 0.000 0.432 347 I N -0.009 120.557 120.570 -0.006 0.000 2.264 347 I HA -0.322 3.847 4.170 -0.001 0.000 0.248 347 I C 2.460 178.547 176.117 -0.051 0.000 1.111 347 I CA 1.203 62.480 61.300 -0.038 0.000 1.382 347 I CB -0.337 37.658 38.000 -0.008 0.000 1.060 347 I HN 0.348 nan 8.210 nan 0.000 0.418 348 E N 0.133 120.314 120.200 -0.032 0.000 2.118 348 E HA -0.254 4.095 4.350 -0.001 0.000 0.195 348 E C 2.248 178.825 176.600 -0.039 0.000 0.992 348 E CA 1.971 58.352 56.400 -0.032 0.000 0.804 348 E CB -0.122 29.563 29.700 -0.025 0.000 0.741 348 E HN 0.564 nan 8.360 nan 0.000 0.458 349 T N -0.325 114.203 114.554 -0.044 0.000 3.043 349 T HA -0.041 4.308 4.350 -0.001 0.000 0.263 349 T C 1.756 176.431 174.700 -0.042 0.000 1.094 349 T CA 0.612 62.684 62.100 -0.047 0.000 1.127 349 T CB 0.140 68.968 68.868 -0.066 0.000 0.905 349 T HN -0.063 nan 8.240 nan 0.000 0.490 350 K N 0.747 121.104 120.400 -0.072 0.000 2.026 350 K HA -0.123 4.196 4.320 -0.001 0.000 0.208 350 K C 2.334 178.874 176.600 -0.100 0.000 1.048 350 K CA 1.520 57.728 56.287 -0.132 0.000 0.929 350 K CB -0.269 32.048 32.500 -0.305 0.000 0.713 350 K HN 0.513 nan 8.250 nan 0.000 0.439 351 Q N -0.219 119.532 119.800 -0.082 0.000 2.046 351 Q HA -0.046 4.293 4.340 -0.001 0.000 0.200 351 Q C 2.280 178.268 176.000 -0.020 0.000 0.975 351 Q CA 1.038 56.809 55.803 -0.053 0.000 0.836 351 Q CB 0.010 28.721 28.738 -0.044 0.000 0.896 351 Q HN 0.189 nan 8.270 nan 0.000 0.428 352 R N 0.373 120.865 120.500 -0.014 0.000 2.120 352 R HA -0.073 4.266 4.340 -0.001 0.000 0.234 352 R C 2.179 178.503 176.300 0.039 0.000 1.123 352 R CA 0.846 56.948 56.100 0.004 0.000 0.975 352 R CB -0.322 29.974 30.300 -0.007 0.000 0.866 352 R HN 0.312 nan 8.270 nan 0.000 0.446 353 L N 0.307 121.560 121.223 0.050 0.000 2.109 353 L HA -0.128 4.212 4.340 -0.001 0.000 0.207 353 L C 2.156 179.132 176.870 0.177 0.000 1.086 353 L CA 1.202 56.126 54.840 0.139 0.000 0.760 353 L CB -0.185 41.937 42.059 0.106 0.000 0.910 353 L HN 0.144 nan 8.230 nan 0.000 0.437 354 E N -0.214 120.031 120.200 0.074 0.000 2.106 354 E HA -0.197 4.153 4.350 -0.001 0.000 0.192 354 E C 2.259 178.875 176.600 0.027 0.000 0.984 354 E CA 1.118 57.544 56.400 0.044 0.000 0.806 354 E CB -0.110 29.592 29.700 0.003 0.000 0.750 354 E HN 0.481 nan 8.360 nan 0.000 0.458 355 A N 0.848 123.682 122.820 0.023 0.000 1.969 355 A HA -0.033 4.286 4.320 -0.001 0.000 0.218 355 A C 2.187 179.775 177.584 0.006 0.000 1.169 355 A CA 1.453 53.495 52.037 0.010 0.000 0.635 355 A CB -0.339 18.665 19.000 0.007 0.000 0.810 355 A HN 0.271 nan 8.150 nan 0.000 0.445 356 A N -1.930 120.910 122.820 0.032 0.000 2.238 356 A HA 0.427 4.746 4.320 -0.001 0.000 0.208 356 A C 1.661 179.159 177.584 -0.143 0.000 1.177 356 A CA 1.143 53.181 52.037 0.002 0.000 0.804 356 A CB -0.811 18.247 19.000 0.096 0.000 0.823 356 A HN 1.816 nan 8.150 nan 0.000 0.482 357 G N -1.260 107.472 108.800 -0.113 0.000 2.159 357 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.227 357 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.227 357 G C -0.016 174.752 174.900 -0.221 0.000 0.986 357 G CA 0.214 45.216 45.100 -0.163 0.000 0.651 357 G HN 0.752 nan 8.290 nan 0.000 0.523 358 H N 0.741 119.816 119.070 0.009 0.000 2.690 358 H HA 0.544 5.099 4.556 -0.001 0.000 0.365 358 H C 0.962 176.288 175.328 -0.003 0.000 1.142 358 H CA 0.975 57.027 56.048 0.006 0.000 1.417 358 H CB 1.063 30.843 29.762 0.030 0.000 1.446 358 H HN 0.293 nan 8.280 nan 0.000 0.599 359 T N 1.971 116.586 114.554 0.102 0.000 2.867 359 T HA 0.387 4.736 4.350 -0.001 0.000 0.282 359 T C -0.691 174.039 174.700 0.051 0.000 1.000 359 T CA -0.979 61.153 62.100 0.053 0.000 1.042 359 T CB 0.429 69.312 68.868 0.024 0.000 0.973 359 T HN 0.242 nan 8.240 nan 0.000 0.465 360 L N 4.722 125.984 121.223 0.066 0.000 2.325 360 L HA 0.567 4.906 4.340 -0.001 0.000 0.281 360 L C -0.731 176.282 176.870 0.239 0.000 1.004 360 L CA -0.702 54.211 54.840 0.121 0.000 0.823 360 L CB 1.418 43.491 42.059 0.023 0.000 1.236 360 L HN 0.781 nan 8.230 nan 0.000 0.415 361 I N 5.428 126.154 120.570 0.260 0.000 2.406 361 I HA 0.359 4.529 4.170 -0.001 0.000 0.290 361 I C -2.212 173.924 176.117 0.031 0.000 0.999 361 I CA -1.914 59.480 61.300 0.157 0.000 1.124 361 I CB 1.982 39.997 38.000 0.025 0.000 1.289 361 I HN 0.343 nan 8.210 nan 0.000 0.441 362 P HA 0.119 nan 4.420 nan 0.000 0.266 362 P C -1.070 176.173 177.300 -0.095 0.000 1.215 362 P CA 0.289 63.124 63.100 -0.442 0.000 0.763 362 P CB 0.086 31.653 31.700 -0.222 0.000 0.806 363 F N 4.996 124.798 119.950 -0.247 0.000 2.630 363 F HA 0.526 5.052 4.527 -0.001 0.000 0.325 363 F C -1.966 173.845 175.800 0.017 0.000 1.184 363 F CA -0.980 56.969 58.000 -0.085 0.000 1.011 363 F CB 1.289 40.241 39.000 -0.080 0.000 1.268 363 F HN 0.063 nan 8.300 nan 0.000 0.480 364 L N 8.437 129.345 121.223 -0.525 0.000 2.381 364 L HA 0.712 5.051 4.340 -0.001 0.000 0.274 364 L C -2.560 173.923 176.870 -0.645 0.000 0.988 364 L CA -2.105 52.445 54.840 -0.483 0.000 0.824 364 L CB 1.834 43.664 42.059 -0.382 0.000 1.263 364 L HN 0.340 nan 8.230 nan 0.000 0.410 365 P HA 0.054 nan 4.420 nan 0.000 0.260 365 P C -1.195 176.002 177.300 -0.171 0.000 1.172 365 P CA 0.201 63.180 63.100 -0.202 0.000 0.760 365 P CB -0.005 31.684 31.700 -0.018 0.000 0.773 366 N N 2.307 120.935 118.700 -0.120 0.000 2.454 366 N HA -0.030 4.709 4.740 -0.001 0.000 0.254 366 N C -0.188 175.380 175.510 0.096 0.000 1.228 366 N CA -0.350 52.673 53.050 -0.044 0.000 0.900 366 N CB -0.399 38.066 38.487 -0.037 0.000 1.089 366 N HN 0.283 nan 8.380 nan 0.000 0.449 367 N N 0.023 118.740 118.700 0.028 0.000 2.754 367 N HA -0.198 4.541 4.740 -0.001 0.000 0.248 367 N C 0.227 175.747 175.510 0.016 0.000 1.093 367 N CA 0.699 53.773 53.050 0.039 0.000 0.699 367 N CB -1.125 37.389 38.487 0.045 0.000 1.016 367 N HN 0.602 nan 8.380 nan 0.000 0.552 368 I N 0.133 120.682 120.570 -0.034 0.000 2.113 368 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 368 I C -0.550 175.472 176.117 -0.160 0.000 1.057 368 I CA 1.899 63.123 61.300 -0.127 0.000 1.314 368 I CB -0.929 36.970 38.000 -0.168 0.000 1.022 368 I HN 0.224 nan 8.210 nan 0.000 0.408 369 P HA -0.213 nan 4.420 nan 0.000 0.218 369 P C 1.506 178.813 177.300 0.011 0.000 1.148 369 P CA 1.417 64.550 63.100 0.055 0.000 0.822 369 P CB -0.142 31.689 31.700 0.219 0.000 0.784 370 Y N 0.919 121.137 120.300 -0.137 0.000 2.163 370 Y HA -0.128 4.421 4.550 -0.001 0.000 0.288 370 Y C 2.380 178.099 175.900 -0.302 0.000 1.136 370 Y CA 1.671 59.663 58.100 -0.181 0.000 1.147 370 Y CB -1.038 37.315 38.460 -0.179 0.000 0.987 370 Y HN -0.117 nan 8.280 nan 0.000 0.509 371 A N 0.188 122.737 122.820 -0.452 0.000 1.972 371 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 371 A C 2.165 179.452 177.584 -0.495 0.000 1.169 371 A CA 1.969 53.577 52.037 -0.714 0.000 0.635 371 A CB -0.986 17.492 19.000 -0.870 0.000 0.810 371 A HN 0.569 nan 8.150 nan 0.000 0.446 372 L N -1.540 119.442 121.223 -0.402 0.000 2.130 372 L HA -0.017 4.323 4.340 -0.001 0.000 0.200 372 L C 2.474 179.201 176.870 -0.238 0.000 1.075 372 L CA 1.199 55.824 54.840 -0.358 0.000 0.768 372 L CB -0.596 41.152 42.059 -0.519 0.000 0.933 372 L HN 0.323 nan 8.230 nan 0.000 0.451 373 E N -0.108 119.989 120.200 -0.173 0.000 2.112 373 E HA -0.154 4.195 4.350 -0.001 0.000 0.190 373 E C 2.160 178.715 176.600 -0.074 0.000 0.979 373 E CA 1.351 57.729 56.400 -0.036 0.000 0.814 373 E CB 0.153 29.887 29.700 0.058 0.000 0.762 373 E HN 0.385 nan 8.360 nan 0.000 0.460 374 V N -0.483 119.306 119.914 -0.209 0.000 2.672 374 V HA 0.011 4.131 4.120 -0.001 0.000 0.242 374 V C 1.689 177.599 176.094 -0.306 0.000 1.059 374 V CA 0.677 62.826 62.300 -0.252 0.000 1.081 374 V CB -0.050 31.622 31.823 -0.252 0.000 0.752 374 V HN 0.139 nan 8.190 nan 0.000 0.472 375 L N 0.156 121.115 121.223 -0.440 0.000 2.200 375 L HA 0.136 4.476 4.340 -0.001 0.000 0.200 375 L C 2.711 179.430 176.870 -0.251 0.000 1.072 375 L CA 1.239 55.859 54.840 -0.366 0.000 0.787 375 L CB -0.845 40.926 42.059 -0.480 0.000 0.957 375 L HN 0.251 nan 8.230 nan 0.000 0.459 376 S N 0.737 116.281 115.700 -0.261 0.000 2.336 376 S HA -0.101 4.368 4.470 -0.001 0.000 0.214 376 S C 2.247 176.749 174.600 -0.163 0.000 1.032 376 S CA 1.212 59.288 58.200 -0.207 0.000 1.001 376 S CB -0.470 62.595 63.200 -0.224 0.000 0.953 376 S HN 0.408 nan 8.310 nan 0.000 0.430 377 A N 1.516 124.271 122.820 -0.109 0.000 1.917 377 A HA -0.051 4.269 4.320 -0.001 0.000 0.219 377 A C 2.297 179.872 177.584 -0.016 0.000 1.182 377 A CA 2.049 54.080 52.037 -0.010 0.000 0.633 377 A CB -1.539 17.546 19.000 0.141 0.000 0.819 377 A HN 0.547 nan 8.150 nan 0.000 0.448 378 G N -0.963 107.811 108.800 -0.042 0.000 2.402 378 G HA2 0.072 4.031 3.960 -0.001 0.000 0.216 378 G HA3 0.072 4.031 3.960 -0.001 0.000 0.216 378 G C 1.523 176.399 174.900 -0.040 0.000 1.162 378 G CA 1.186 46.270 45.100 -0.026 0.000 0.777 378 G HN 0.749 nan 8.290 nan 0.000 0.539 379 G N 0.622 109.371 108.800 -0.085 0.000 2.422 379 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.218 379 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.218 379 G C 1.754 176.585 174.900 -0.115 0.000 1.140 379 G CA 0.516 45.568 45.100 -0.081 0.000 0.775 379 G HN 0.407 nan 8.290 nan 0.000 0.545 380 L N -1.018 120.082 121.223 -0.206 0.000 2.109 380 L HA 0.146 4.486 4.340 -0.001 0.000 0.207 380 L C 1.214 177.811 176.870 -0.455 0.000 1.086 380 L CA 0.693 55.298 54.840 -0.392 0.000 0.760 380 L CB -0.122 41.587 42.059 -0.582 0.000 0.910 380 L HN 0.117 nan 8.230 nan 0.000 0.437 381 F N -0.735 119.169 119.950 -0.076 0.000 2.923 381 F HA 0.191 4.717 4.527 -0.001 0.000 0.314 381 F C 1.821 177.587 175.800 -0.056 0.000 1.196 381 F CA -0.466 57.486 58.000 -0.081 0.000 1.320 381 F CB -0.326 38.603 39.000 -0.118 0.000 0.953 381 F HN -0.122 nan 8.300 nan 0.000 0.505 382 S N -0.340 115.420 115.700 0.101 0.000 2.419 382 S HA -0.182 4.287 4.470 -0.001 0.000 0.233 382 S C 1.761 176.398 174.600 0.062 0.000 1.016 382 S CA 1.475 59.713 58.200 0.062 0.000 0.974 382 S CB -0.196 63.027 63.200 0.037 0.000 0.786 382 S HN 0.594 nan 8.310 nan 0.000 0.492 383 D N 0.402 120.853 120.400 0.085 0.000 2.340 383 D HA 0.162 4.802 4.640 -0.001 0.000 0.220 383 D C 1.286 177.623 176.300 0.062 0.000 1.039 383 D CA 0.769 54.811 54.000 0.071 0.000 0.866 383 D CB -0.316 40.534 40.800 0.084 0.000 0.913 383 D HN 0.436 nan 8.370 nan 0.000 0.523 384 G N -0.314 108.525 108.800 0.064 0.000 2.195 384 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.246 384 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.246 384 G C 1.149 176.010 174.900 -0.065 0.000 0.984 384 G CA 0.349 45.441 45.100 -0.012 0.000 0.633 384 G HN 1.377 nan 8.290 nan 0.000 0.525 385 G N -1.757 107.080 108.800 0.062 0.000 2.218 385 G HA2 0.199 4.159 3.960 -0.001 0.000 0.216 385 G HA3 0.199 4.159 3.960 -0.001 0.000 0.216 385 G C 1.296 176.300 174.900 0.173 0.000 0.994 385 G CA 1.458 46.618 45.100 0.100 0.000 0.637 385 G HN 1.850 nan 8.290 nan 0.000 0.505 386 R N 1.065 121.632 120.500 0.111 0.000 2.073 386 R HA 0.185 4.524 4.340 -0.001 0.000 0.234 386 R C 2.785 179.152 176.300 0.112 0.000 1.134 386 R CA 2.803 58.955 56.100 0.086 0.000 0.952 386 R CB -1.521 28.811 30.300 0.054 0.000 0.850 386 R HN 0.889 nan 8.270 nan 0.000 0.433 387 S N 0.099 115.883 115.700 0.140 0.000 2.368 387 S HA -0.101 4.368 4.470 -0.001 0.000 0.225 387 S C 1.839 176.548 174.600 0.182 0.000 1.030 387 S CA 1.296 59.581 58.200 0.142 0.000 0.999 387 S CB -0.475 62.809 63.200 0.142 0.000 0.844 387 S HN 0.591 nan 8.310 nan 0.000 0.459 388 F N 1.985 122.002 119.950 0.112 0.000 2.186 388 F HA 0.099 4.625 4.527 -0.001 0.000 0.299 388 F C 1.728 177.660 175.800 0.220 0.000 1.090 388 F CA 0.949 59.047 58.000 0.163 0.000 1.307 388 F CB -0.251 38.880 39.000 0.219 0.000 1.019 388 F HN 0.076 nan 8.300 nan 0.000 0.489 389 L N -0.286 121.008 121.223 0.119 0.000 2.395 389 L HA -0.126 4.213 4.340 -0.001 0.000 0.218 389 L C 2.148 179.051 176.870 0.055 0.000 1.130 389 L CA 0.657 55.522 54.840 0.041 0.000 0.826 389 L CB -0.489 41.591 42.059 0.035 0.000 0.941 389 L HN 0.163 nan 8.230 nan 0.000 0.451 390 Q N 0.216 120.038 119.800 0.036 0.000 2.364 390 Q HA -0.160 4.179 4.340 -0.001 0.000 0.207 390 Q C 1.524 177.507 176.000 -0.029 0.000 0.970 390 Q CA 1.232 57.043 55.803 0.015 0.000 0.888 390 Q CB 0.041 28.795 28.738 0.026 0.000 0.951 390 Q HN 0.479 nan 8.270 nan 0.000 0.469 391 N N -1.573 117.074 118.700 -0.087 0.000 2.463 391 N HA 0.001 4.740 4.740 -0.001 0.000 0.181 391 N C 0.086 175.379 175.510 -0.362 0.000 1.078 391 N CA 0.523 53.432 53.050 -0.234 0.000 0.902 391 N CB 0.209 38.479 38.487 -0.361 0.000 0.970 391 N HN 0.174 nan 8.380 nan 0.000 0.451 392 F N 0.667 120.511 119.950 -0.177 0.000 2.695 392 F HA 0.256 4.782 4.527 -0.001 0.000 0.303 392 F C 0.658 176.392 175.800 -0.110 0.000 1.091 392 F CA -0.324 57.589 58.000 -0.145 0.000 1.300 392 F CB 0.295 39.194 39.000 -0.169 0.000 1.071 392 F HN -0.260 nan 8.300 nan 0.000 0.578 393 K N 0.697 121.116 120.400 0.031 0.000 2.402 393 K HA 0.216 4.536 4.320 -0.001 0.000 0.279 393 K C 1.140 177.714 176.600 -0.043 0.000 1.082 393 K CA 0.969 57.251 56.287 -0.008 0.000 1.080 393 K CB -0.291 32.200 32.500 -0.016 0.000 0.899 393 K HN 0.392 nan 8.250 nan 0.000 0.469 394 G N 2.742 111.505 108.800 -0.062 0.000 2.148 394 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.254 394 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.254 394 G C -0.176 174.634 174.900 -0.150 0.000 0.981 394 G CA 0.194 45.230 45.100 -0.107 0.000 0.670 394 G HN 0.652 nan 8.290 nan 0.000 0.528 395 D N -0.794 119.541 120.400 -0.109 0.000 2.326 395 D HA 0.644 5.283 4.640 -0.001 0.000 0.248 395 D C 0.400 176.630 176.300 -0.117 0.000 1.001 395 D CA -0.730 53.217 54.000 -0.089 0.000 0.961 395 D CB 0.619 41.396 40.800 -0.039 0.000 1.183 395 D HN -0.035 nan 8.370 nan 0.000 0.502 396 F N 0.364 120.343 119.950 0.048 0.000 2.429 396 F HA 0.156 4.683 4.527 -0.001 0.000 0.348 396 F C 0.790 176.669 175.800 0.133 0.000 1.109 396 F CA -0.628 57.410 58.000 0.063 0.000 1.232 396 F CB 1.019 40.038 39.000 0.031 0.000 1.157 396 F HN -0.057 nan 8.300 nan 0.000 0.564 397 V N 1.562 121.658 119.914 0.304 0.000 2.385 397 V HA 0.244 4.363 4.120 -0.001 0.000 0.269 397 V C -0.012 176.205 176.094 0.204 0.000 1.043 397 V CA -0.874 61.578 62.300 0.254 0.000 0.906 397 V CB 1.028 32.905 31.823 0.090 0.000 0.995 397 V HN 0.761 nan 8.190 nan 0.000 0.467 398 D N 7.689 128.208 120.400 0.198 0.000 2.458 398 D HA 0.149 4.789 4.640 -0.001 0.000 0.243 398 D C -1.341 175.010 176.300 0.085 0.000 1.146 398 D CA -1.112 52.961 54.000 0.120 0.000 0.877 398 D CB 2.080 42.946 40.800 0.111 0.000 1.176 398 D HN 0.544 nan 8.370 nan 0.000 0.461 399 P HA -0.114 nan 4.420 nan 0.000 0.226 399 P C 1.614 178.924 177.300 0.017 0.000 1.146 399 P CA 0.564 63.683 63.100 0.032 0.000 0.773 399 P CB -0.346 31.365 31.700 0.018 0.000 0.772 400 C N -2.768 116.542 119.300 0.017 0.000 2.456 400 C HA 0.111 4.571 4.460 -0.001 0.000 0.279 400 C C 2.181 177.166 174.990 -0.008 0.000 1.427 400 C CA -0.109 58.903 59.018 -0.010 0.000 1.778 400 C CB -2.110 25.622 27.740 -0.013 0.000 1.842 400 C HN 0.015 nan 8.230 nan 0.000 0.531 401 L N 1.693 122.938 121.223 0.037 0.000 2.554 401 L HA 0.323 4.662 4.340 -0.001 0.000 0.226 401 L C 2.144 179.039 176.870 0.041 0.000 1.137 401 L CA 1.415 56.289 54.840 0.056 0.000 0.863 401 L CB -1.431 40.688 42.059 0.099 0.000 0.985 401 L HN 0.723 nan 8.230 nan 0.000 0.451 402 G N -0.034 108.783 108.800 0.028 0.000 2.601 402 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.306 402 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.306 402 G C 0.721 175.643 174.900 0.036 0.000 1.172 402 G CA 0.476 45.594 45.100 0.030 0.000 0.966 402 G HN 0.266 nan 8.290 nan 0.000 0.542 403 D N 0.299 120.732 120.400 0.056 0.000 2.469 403 D HA 0.298 4.938 4.640 -0.001 0.000 0.215 403 D C 2.150 178.477 176.300 0.046 0.000 1.154 403 D CA -0.185 53.842 54.000 0.046 0.000 0.832 403 D CB 0.607 41.441 40.800 0.056 0.000 1.008 403 D HN 0.206 nan 8.370 nan 0.000 0.506 404 L N 1.116 122.380 121.223 0.068 0.000 2.079 404 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 404 L C 1.737 178.585 176.870 -0.037 0.000 1.081 404 L CA 1.523 56.402 54.840 0.066 0.000 0.752 404 L CB -0.303 41.839 42.059 0.137 0.000 0.896 404 L HN 0.002 nan 8.230 nan 0.000 0.433 405 I N -1.487 119.028 120.570 -0.093 0.000 2.233 405 I HA -0.210 3.959 4.170 -0.001 0.000 0.243 405 I C 2.498 178.528 176.117 -0.145 0.000 1.093 405 I CA 0.918 62.098 61.300 -0.200 0.000 1.380 405 I CB -1.293 36.472 38.000 -0.390 0.000 1.067 405 I HN 0.270 nan 8.210 nan 0.000 0.413 406 L N 1.209 122.375 121.223 -0.096 0.000 1.997 406 L HA -0.235 4.105 4.340 -0.001 0.000 0.216 406 L C 2.453 179.275 176.870 -0.079 0.000 1.074 406 L CA 2.088 56.884 54.840 -0.073 0.000 0.763 406 L CB -0.385 41.651 42.059 -0.039 0.000 0.890 406 L HN 0.080 nan 8.230 nan 0.000 0.434 407 I N -1.280 119.245 120.570 -0.074 0.000 2.353 407 I HA -0.277 3.893 4.170 -0.001 0.000 0.248 407 I C 2.254 178.267 176.117 -0.173 0.000 1.119 407 I CA 0.999 62.242 61.300 -0.094 0.000 1.417 407 I CB -0.186 37.773 38.000 -0.067 0.000 1.078 407 I HN 0.256 nan 8.210 nan 0.000 0.421 408 L N 0.024 121.119 121.223 -0.213 0.000 2.131 408 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 408 L C 2.540 179.305 176.870 -0.174 0.000 1.092 408 L CA 1.231 55.915 54.840 -0.259 0.000 0.759 408 L CB -0.440 41.458 42.059 -0.269 0.000 0.903 408 L HN 0.130 nan 8.230 nan 0.000 0.435 409 R N -0.415 120.002 120.500 -0.139 0.000 2.236 409 R HA 0.074 4.414 4.340 -0.001 0.000 0.208 409 R C 0.518 176.742 176.300 -0.126 0.000 1.036 409 R CA -0.013 56.018 56.100 -0.116 0.000 1.001 409 R CB -0.039 30.198 30.300 -0.105 0.000 0.896 409 R HN 0.220 nan 8.270 nan 0.000 0.464 410 L N 3.124 124.267 121.223 -0.133 0.000 2.525 410 L HA 0.044 4.383 4.340 -0.001 0.000 0.278 410 L C -1.831 174.919 176.870 -0.199 0.000 1.218 410 L CA -1.518 53.231 54.840 -0.152 0.000 0.878 410 L CB 0.048 42.088 42.059 -0.031 0.000 1.127 410 L HN -0.052 nan 8.230 nan 0.000 0.492 411 P HA 0.039 nan 4.420 nan 0.000 0.269 411 P C 0.380 177.439 177.300 -0.402 0.000 1.209 411 P CA -0.165 62.716 63.100 -0.366 0.000 0.776 411 P CB 0.918 32.292 31.700 -0.543 0.000 0.876 412 S N 1.881 117.455 115.700 -0.210 0.000 2.378 412 S HA -0.168 4.301 4.470 -0.001 0.000 0.229 412 S C 1.672 176.235 174.600 -0.063 0.000 1.052 412 S CA 1.759 59.901 58.200 -0.097 0.000 1.084 412 S CB -0.804 62.404 63.200 0.015 0.000 0.950 412 S HN 0.719 nan 8.310 nan 0.000 0.440 413 W N 0.240 121.570 121.300 0.050 0.000 2.350 413 W HA -0.125 4.535 4.660 -0.000 0.000 0.289 413 W C 1.892 178.465 176.519 0.091 0.000 1.215 413 W CA 0.602 57.981 57.345 0.056 0.000 1.236 413 W CB -1.120 28.374 29.460 0.058 0.000 1.130 413 W HN 0.321 nan 8.180 nan 0.000 0.541 414 F N 2.463 122.045 119.950 -0.614 0.000 2.234 414 F HA 0.062 4.588 4.527 -0.001 0.000 0.296 414 F C 2.447 178.088 175.800 -0.265 0.000 1.089 414 F CA 1.631 59.302 58.000 -0.549 0.000 1.343 414 F CB -0.378 37.985 39.000 -1.062 0.000 1.040 414 F HN -0.306 nan 8.300 nan 0.000 0.498 415 K N 0.120 120.361 120.400 -0.264 0.000 2.097 415 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 415 K C 2.534 179.013 176.600 -0.200 0.000 1.050 415 K CA 1.464 57.597 56.287 -0.258 0.000 0.938 415 K CB -0.218 32.167 32.500 -0.190 0.000 0.718 415 K HN 0.224 nan 8.250 nan 0.000 0.442 416 R N 1.000 121.434 120.500 -0.110 0.000 2.066 416 R HA -0.063 4.277 4.340 -0.001 0.000 0.232 416 R C 2.107 178.376 176.300 -0.052 0.000 1.131 416 R CA 1.744 57.817 56.100 -0.046 0.000 0.955 416 R CB -1.468 28.850 30.300 0.030 0.000 0.851 416 R HN 0.278 nan 8.270 nan 0.000 0.432 417 L N 0.049 121.245 121.223 -0.046 0.000 2.017 417 L HA -0.002 4.337 4.340 -0.001 0.000 0.208 417 L C 2.511 179.289 176.870 -0.154 0.000 1.073 417 L CA 1.775 56.584 54.840 -0.053 0.000 0.745 417 L CB -0.305 41.775 42.059 0.035 0.000 0.894 417 L HN 0.397 nan 8.230 nan 0.000 0.432 418 L N -1.161 119.865 121.223 -0.327 0.000 2.046 418 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 418 L C 2.637 179.400 176.870 -0.179 0.000 1.077 418 L CA 1.397 56.036 54.840 -0.334 0.000 0.747 418 L CB -0.448 41.288 42.059 -0.539 0.000 0.896 418 L HN 0.386 nan 8.230 nan 0.000 0.432 419 S N 0.203 115.812 115.700 -0.151 0.000 2.414 419 S HA -0.209 4.260 4.470 -0.001 0.000 0.225 419 S C 1.782 176.353 174.600 -0.047 0.000 1.041 419 S CA 1.981 60.132 58.200 -0.081 0.000 1.114 419 S CB -0.392 62.767 63.200 -0.068 0.000 1.064 419 S HN 0.468 nan 8.310 nan 0.000 0.420 420 L N 0.155 121.355 121.223 -0.039 0.000 2.456 420 L HA 0.127 4.466 4.340 -0.001 0.000 0.224 420 L C 2.067 178.926 176.870 -0.017 0.000 1.148 420 L CA 1.280 56.108 54.840 -0.019 0.000 0.825 420 L CB -1.096 40.958 42.059 -0.009 0.000 0.937 420 L HN 0.308 nan 8.230 nan 0.000 0.450 421 L N -0.319 120.887 121.223 -0.029 0.000 2.179 421 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 421 L C 2.313 179.184 176.870 0.001 0.000 1.096 421 L CA 0.496 55.325 54.840 -0.018 0.000 0.779 421 L CB 0.037 42.075 42.059 -0.033 0.000 0.922 421 L HN 0.221 nan 8.230 nan 0.000 0.443 422 L N -0.098 121.128 121.223 0.004 0.000 2.375 422 L HA -0.036 4.303 4.340 -0.001 0.000 0.215 422 L C 2.839 179.736 176.870 0.046 0.000 1.108 422 L CA 1.607 56.484 54.840 0.062 0.000 0.830 422 L CB -1.212 40.881 42.059 0.056 0.000 0.959 422 L HN 0.124 nan 8.230 nan 0.000 0.457 423 K N 0.915 121.322 120.400 0.011 0.000 2.074 423 K HA -0.156 4.164 4.320 -0.001 0.000 0.209 423 K C 0.039 176.628 176.600 -0.019 0.000 1.048 423 K CA 1.894 58.183 56.287 0.004 0.000 0.926 423 K CB -2.535 29.967 32.500 0.004 0.000 0.713 423 K HN 0.418 nan 8.250 nan 0.000 0.444 424 P HA -0.161 nan 4.420 nan 0.000 0.214 424 P C 1.106 178.322 177.300 -0.139 0.000 1.163 424 P CA 1.070 64.129 63.100 -0.069 0.000 0.889 424 P CB 0.022 31.685 31.700 -0.061 0.000 0.790 425 L N -2.537 118.557 121.223 -0.216 0.000 2.200 425 L HA 0.139 4.478 4.340 -0.001 0.000 0.200 425 L C 1.382 177.820 176.870 -0.719 0.000 1.072 425 L CA 1.166 55.682 54.840 -0.540 0.000 0.787 425 L CB -1.484 40.135 42.059 -0.734 0.000 0.957 425 L HN -0.109 nan 8.230 nan 0.000 0.459 426 F N 1.197 121.121 119.950 -0.043 0.000 2.531 426 F HA 0.330 4.856 4.527 -0.001 0.000 0.333 426 F C -1.505 174.239 175.800 -0.093 0.000 1.292 426 F CA -1.309 56.645 58.000 -0.077 0.000 1.184 426 F CB 0.724 39.649 39.000 -0.125 0.000 1.426 426 F HN -0.068 nan 8.300 nan 0.000 0.559 427 P HA -0.081 nan 4.420 nan 0.000 0.225 427 P C 1.425 178.721 177.300 -0.006 0.000 1.156 427 P CA 1.025 64.149 63.100 0.039 0.000 0.787 427 P CB 0.292 32.039 31.700 0.078 0.000 0.802 428 R N -0.755 119.670 120.500 -0.126 0.000 2.092 428 R HA -0.017 4.322 4.340 -0.001 0.000 0.231 428 R C 2.034 178.249 176.300 -0.142 0.000 1.119 428 R CA 1.006 56.976 56.100 -0.216 0.000 0.970 428 R CB -0.716 29.273 30.300 -0.519 0.000 0.864 428 R HN 0.198 nan 8.270 nan 0.000 0.440 429 L N -0.059 121.025 121.223 -0.230 0.000 2.209 429 L HA 0.079 4.418 4.340 -0.001 0.000 0.207 429 L C 2.350 179.227 176.870 0.013 0.000 1.094 429 L CA 1.249 55.978 54.840 -0.184 0.000 0.790 429 L CB -0.790 41.086 42.059 -0.306 0.000 0.932 429 L HN 0.088 nan 8.230 nan 0.000 0.447 430 A N -0.366 122.456 122.820 0.003 0.000 1.902 430 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 430 A C 2.477 180.087 177.584 0.044 0.000 1.181 430 A CA 1.716 53.763 52.037 0.015 0.000 0.623 430 A CB -0.760 18.249 19.000 0.016 0.000 0.818 430 A HN 0.352 nan 8.150 nan 0.000 0.443 431 A N -1.548 121.319 122.820 0.080 0.000 1.969 431 A HA -0.006 4.313 4.320 -0.001 0.000 0.218 431 A C 2.076 179.779 177.584 0.199 0.000 1.169 431 A CA 1.291 53.399 52.037 0.117 0.000 0.635 431 A CB -0.649 18.428 19.000 0.130 0.000 0.810 431 A HN 0.642 nan 8.150 nan 0.000 0.445 432 F N 0.136 120.123 119.950 0.062 0.000 2.146 432 F HA -0.114 4.412 4.527 -0.001 0.000 0.298 432 F C 1.861 177.696 175.800 0.059 0.000 1.096 432 F CA 1.320 59.396 58.000 0.126 0.000 1.275 432 F CB 0.007 39.147 39.000 0.233 0.000 1.008 432 F HN 0.144 nan 8.300 nan 0.000 0.480 433 L N 0.011 121.210 121.223 -0.041 0.000 2.179 433 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 433 L C 2.240 179.017 176.870 -0.155 0.000 1.096 433 L CA 0.930 55.649 54.840 -0.202 0.000 0.779 433 L CB -0.793 41.177 42.059 -0.148 0.000 0.922 433 L HN 0.232 nan 8.230 nan 0.000 0.443 434 N N -0.096 118.566 118.700 -0.064 0.000 2.331 434 N HA -0.166 4.574 4.740 -0.001 0.000 0.180 434 N C 2.034 177.525 175.510 -0.032 0.000 1.019 434 N CA 1.420 54.446 53.050 -0.040 0.000 0.881 434 N CB 0.210 38.694 38.487 -0.004 0.000 0.972 434 N HN 0.375 nan 8.380 nan 0.000 0.435 435 S N 0.777 116.469 115.700 -0.014 0.000 2.382 435 S HA -0.117 4.352 4.470 -0.001 0.000 0.228 435 S C 1.931 176.529 174.600 -0.004 0.000 1.027 435 S CA 0.831 59.042 58.200 0.018 0.000 0.991 435 S CB -0.459 62.801 63.200 0.100 0.000 0.823 435 S HN 0.371 nan 8.310 nan 0.000 0.469 436 M N 1.647 121.167 119.600 -0.133 0.000 2.659 436 M HA 0.168 4.647 4.480 -0.001 0.000 0.243 436 M C 1.067 177.284 176.300 -0.139 0.000 1.111 436 M CA 0.212 55.383 55.300 -0.215 0.000 1.070 436 M CB -0.637 31.675 32.600 -0.481 0.000 1.525 436 M HN 0.205 nan 8.290 nan 0.000 0.517 437 R N 3.365 123.815 120.500 -0.084 0.000 2.449 437 R HA 0.218 4.558 4.340 -0.001 0.000 0.296 437 R C -2.883 173.403 176.300 -0.024 0.000 1.047 437 R CA -1.194 54.874 56.100 -0.053 0.000 1.018 437 R CB -0.043 30.236 30.300 -0.035 0.000 0.962 437 R HN -0.013 nan 8.270 nan 0.000 0.428 438 P HA 0.244 nan 4.420 nan 0.000 0.276 438 P C -0.723 176.577 177.300 -0.000 0.000 1.243 438 P CA -0.087 63.011 63.100 -0.002 0.000 0.768 438 P CB 0.648 32.346 31.700 -0.004 0.000 0.856 439 R N 1.188 121.690 120.500 0.003 0.000 2.758 439 R HA 0.593 4.932 4.340 -0.001 0.000 0.265 439 R C 0.595 176.884 176.300 -0.020 0.000 1.016 439 R CA -0.681 55.416 56.100 -0.005 0.000 1.040 439 R CB 1.159 31.460 30.300 0.001 0.000 1.152 439 R HN 0.519 nan 8.270 nan 0.000 0.503 440 S N 0.082 115.758 115.700 -0.040 0.000 2.669 440 S HA 0.313 4.783 4.470 -0.001 0.000 0.270 440 S C 1.113 175.639 174.600 -0.124 0.000 1.225 440 S CA -0.313 57.841 58.200 -0.077 0.000 0.991 440 S CB 1.592 64.739 63.200 -0.088 0.000 0.987 440 S HN 0.698 nan 8.310 nan 0.000 0.552 441 A N 0.191 122.886 122.820 -0.207 0.000 1.940 441 A HA -0.112 4.207 4.320 -0.001 0.000 0.219 441 A C 2.100 179.319 177.584 -0.609 0.000 1.176 441 A CA 1.712 53.524 52.037 -0.374 0.000 0.631 441 A CB -1.165 17.561 19.000 -0.457 0.000 0.814 441 A HN 0.982 nan 8.150 nan 0.000 0.446 442 E N -0.450 119.458 120.200 -0.487 0.000 2.058 442 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 442 E C 1.798 178.355 176.600 -0.072 0.000 0.997 442 E CA 1.626 57.835 56.400 -0.318 0.000 0.801 442 E CB -0.052 29.535 29.700 -0.189 0.000 0.746 442 E HN 0.468 nan 8.360 nan 0.000 0.450 443 K N 0.236 120.602 120.400 -0.056 0.000 2.366 443 K HA 0.049 4.369 4.320 -0.001 0.000 0.198 443 K C 1.785 178.415 176.600 0.050 0.000 1.044 443 K CA 0.057 56.353 56.287 0.015 0.000 0.973 443 K CB 0.052 32.554 32.500 0.002 0.000 0.767 443 K HN 0.127 nan 8.250 nan 0.000 0.475 444 L N -0.603 120.643 121.223 0.038 0.000 2.131 444 L HA -0.104 4.236 4.340 -0.001 0.000 0.206 444 L C 1.213 178.233 176.870 0.250 0.000 1.087 444 L CA 1.284 56.188 54.840 0.106 0.000 0.767 444 L CB -0.375 41.733 42.059 0.082 0.000 0.917 444 L HN 0.320 nan 8.230 nan 0.000 0.441 445 W N 1.107 122.428 121.300 0.035 0.000 2.318 445 W HA -0.262 4.397 4.660 -0.001 0.000 0.313 445 W C 2.959 179.521 176.519 0.071 0.000 1.221 445 W CA 2.449 59.821 57.345 0.045 0.000 1.266 445 W CB -1.282 28.196 29.460 0.030 0.000 1.150 445 W HN 0.156 nan 8.180 nan 0.000 0.496 446 K N 0.217 120.799 120.400 0.303 0.000 2.097 446 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 446 K C 1.972 178.686 176.600 0.189 0.000 1.049 446 K CA 1.640 58.063 56.287 0.227 0.000 0.933 446 K CB -1.155 31.445 32.500 0.167 0.000 0.717 446 K HN 0.318 nan 8.250 nan 0.000 0.442 447 L N 0.192 121.499 121.223 0.139 0.000 2.072 447 L HA -0.106 4.234 4.340 -0.001 0.000 0.205 447 L C 2.816 179.729 176.870 0.072 0.000 1.079 447 L CA 1.810 56.695 54.840 0.074 0.000 0.752 447 L CB -0.121 41.959 42.059 0.036 0.000 0.906 447 L HN 0.526 nan 8.230 nan 0.000 0.436 448 Q N -1.142 118.727 119.800 0.115 0.000 2.112 448 Q HA -0.322 4.018 4.340 -0.001 0.000 0.206 448 Q C 2.190 178.259 176.000 0.114 0.000 0.987 448 Q CA 2.207 58.073 55.803 0.104 0.000 0.858 448 Q CB -0.183 28.632 28.738 0.128 0.000 0.905 448 Q HN 0.664 nan 8.270 nan 0.000 0.420 449 H N 0.014 119.120 119.070 0.060 0.000 2.389 449 H HA -0.017 4.538 4.556 -0.001 0.000 0.299 449 H C 1.462 176.834 175.328 0.074 0.000 1.081 449 H CA 1.719 57.799 56.048 0.053 0.000 1.345 449 H CB 0.234 30.028 29.762 0.053 0.000 1.393 449 H HN 0.300 nan 8.280 nan 0.000 0.520 450 E N -0.281 119.913 120.200 -0.011 0.000 2.153 450 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 450 E C 2.133 178.743 176.600 0.017 0.000 0.988 450 E CA 1.150 57.548 56.400 -0.004 0.000 0.811 450 E CB 0.032 29.785 29.700 0.089 0.000 0.746 450 E HN 0.539 nan 8.360 nan 0.000 0.466 451 I N 1.543 122.115 120.570 0.003 0.000 2.286 451 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 451 I C 2.632 178.773 176.117 0.040 0.000 1.104 451 I CA 1.061 62.377 61.300 0.028 0.000 1.397 451 I CB -0.209 37.786 38.000 -0.007 0.000 1.072 451 I HN 0.150 nan 8.210 nan 0.000 0.417 452 E N 0.881 121.078 120.200 -0.005 0.000 2.208 452 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 452 E C 2.144 178.721 176.600 -0.039 0.000 0.988 452 E CA 1.034 57.430 56.400 -0.008 0.000 0.828 452 E CB -0.215 29.497 29.700 0.021 0.000 0.763 452 E HN 0.485 nan 8.360 nan 0.000 0.478 453 M N -0.004 119.534 119.600 -0.104 0.000 2.193 453 M HA -0.063 4.416 4.480 -0.001 0.000 0.265 453 M C 2.141 178.449 176.300 0.015 0.000 1.071 453 M CA 1.277 56.525 55.300 -0.087 0.000 1.140 453 M CB -0.222 32.265 32.600 -0.188 0.000 1.369 453 M HN 0.151 nan 8.290 nan 0.000 0.423 454 Y N 0.634 120.908 120.300 -0.044 0.000 2.128 454 Y HA -0.311 4.239 4.550 -0.001 0.000 0.284 454 Y C 2.579 178.459 175.900 -0.034 0.000 1.154 454 Y CA 1.830 59.921 58.100 -0.015 0.000 1.149 454 Y CB -0.136 38.321 38.460 -0.005 0.000 0.976 454 Y HN 0.085 nan 8.280 nan 0.000 0.505 455 R N -0.112 120.306 120.500 -0.137 0.000 2.091 455 R HA -0.229 4.110 4.340 -0.001 0.000 0.238 455 R C 2.233 178.478 176.300 -0.092 0.000 1.136 455 R CA 1.881 57.877 56.100 -0.173 0.000 0.959 455 R CB -0.197 30.077 30.300 -0.043 0.000 0.856 455 R HN 0.357 nan 8.270 nan 0.000 0.437 456 Q N -0.037 119.733 119.800 -0.050 0.000 2.124 456 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 456 Q C 2.149 178.135 176.000 -0.024 0.000 0.977 456 Q CA 2.021 57.814 55.803 -0.016 0.000 0.850 456 Q CB -0.215 28.520 28.738 -0.005 0.000 0.901 456 Q HN 0.449 nan 8.270 nan 0.000 0.429 457 S N -0.886 114.770 115.700 -0.072 0.000 2.414 457 S HA -0.046 4.423 4.470 -0.001 0.000 0.227 457 S C 2.042 176.606 174.600 -0.059 0.000 1.022 457 S CA 0.970 59.136 58.200 -0.057 0.000 0.958 457 S CB -0.288 62.882 63.200 -0.049 0.000 0.797 457 S HN 0.108 nan 8.310 nan 0.000 0.493 458 V N 1.885 121.695 119.914 -0.174 0.000 2.427 458 V HA -0.064 4.056 4.120 -0.001 0.000 0.248 458 V C 2.437 178.676 176.094 0.242 0.000 1.051 458 V CA 1.708 63.991 62.300 -0.028 0.000 1.048 458 V CB -0.744 30.925 31.823 -0.256 0.000 0.666 458 V HN 0.482 nan 8.190 nan 0.000 0.456 459 I N 0.470 121.137 120.570 0.162 0.000 2.286 459 I HA -0.229 3.940 4.170 -0.001 0.000 0.248 459 I C 2.621 178.832 176.117 0.156 0.000 1.115 459 I CA 1.407 62.782 61.300 0.125 0.000 1.392 459 I CB -0.468 37.545 38.000 0.020 0.000 1.065 459 I HN 0.280 nan 8.210 nan 0.000 0.418 460 A N -0.192 122.703 122.820 0.124 0.000 1.902 460 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 460 A C 2.281 179.974 177.584 0.183 0.000 1.181 460 A CA 1.499 53.608 52.037 0.120 0.000 0.623 460 A CB -0.614 18.428 19.000 0.070 0.000 0.818 460 A HN 0.431 nan 8.150 nan 0.000 0.443 461 Q N -1.660 118.281 119.800 0.235 0.000 2.096 461 Q HA -0.214 4.125 4.340 -0.001 0.000 0.204 461 Q C 2.046 178.386 176.000 0.566 0.000 0.982 461 Q CA 1.603 57.611 55.803 0.341 0.000 0.850 461 Q CB -0.238 28.678 28.738 0.298 0.000 0.901 461 Q HN 0.922 nan 8.270 nan 0.000 0.422 462 W N 1.355 122.844 121.300 0.316 0.000 2.381 462 W HA -0.159 4.500 4.660 -0.001 0.000 0.301 462 W C 1.432 177.932 176.519 -0.032 0.000 1.205 462 W CA 1.126 58.478 57.345 0.012 0.000 1.285 462 W CB 0.054 29.506 29.460 -0.014 0.000 1.133 462 W HN 0.024 nan 8.180 nan 0.000 0.521 463 K N 0.094 120.695 120.400 0.335 0.000 2.228 463 K HA -0.016 4.303 4.320 -0.001 0.000 0.202 463 K C 2.094 178.766 176.600 0.121 0.000 1.051 463 K CA 1.070 57.477 56.287 0.200 0.000 0.960 463 K CB -0.578 32.007 32.500 0.141 0.000 0.743 463 K HN 0.098 nan 8.250 nan 0.000 0.458 464 A N 0.686 123.585 122.820 0.133 0.000 2.015 464 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 464 A C 1.923 179.554 177.584 0.079 0.000 1.163 464 A CA 1.195 53.291 52.037 0.098 0.000 0.646 464 A CB -0.187 18.876 19.000 0.105 0.000 0.806 464 A HN 0.191 nan 8.150 nan 0.000 0.448 465 M N -1.109 118.539 119.600 0.081 0.000 2.383 465 M HA 0.218 4.697 4.480 -0.001 0.000 0.247 465 M C 0.377 176.627 176.300 -0.083 0.000 1.117 465 M CA -0.096 55.213 55.300 0.015 0.000 0.995 465 M CB -0.293 32.343 32.600 0.059 0.000 1.480 465 M HN 0.464 nan 8.290 nan 0.000 0.485 466 N N 1.173 119.843 118.700 -0.050 0.000 2.702 466 N HA -0.186 4.553 4.740 -0.001 0.000 0.261 466 N C -1.115 174.292 175.510 -0.172 0.000 0.965 466 N CA 0.259 53.272 53.050 -0.062 0.000 0.795 466 N CB -0.623 37.848 38.487 -0.027 0.000 0.909 466 N HN 0.412 nan 8.380 nan 0.000 0.546 467 L N -0.769 120.221 121.223 -0.387 0.000 2.453 467 L HA 0.185 4.525 4.340 -0.001 0.000 0.261 467 L C 1.332 178.008 176.870 -0.324 0.000 1.179 467 L CA -0.449 54.015 54.840 -0.626 0.000 0.813 467 L CB 0.493 41.701 42.059 -1.418 0.000 1.110 467 L HN 0.197 nan 8.230 nan 0.000 0.466 468 D N -0.230 119.996 120.400 -0.290 0.000 2.379 468 D HA 0.212 4.852 4.640 -0.001 0.000 0.218 468 D C -0.271 176.015 176.300 -0.023 0.000 1.006 468 D CA 0.771 54.721 54.000 -0.082 0.000 0.893 468 D CB 1.513 42.238 40.800 -0.125 0.000 1.019 468 D HN 0.158 nan 8.370 nan 0.000 0.503 469 V N 0.734 120.443 119.914 -0.342 0.000 3.177 469 V HA 0.262 4.381 4.120 -0.001 0.000 0.287 469 V C -1.930 173.786 176.094 -0.630 0.000 1.465 469 V CA -0.843 61.236 62.300 -0.368 0.000 1.020 469 V CB 2.968 34.423 31.823 -0.613 0.000 1.152 469 V HN -0.089 nan 8.190 nan 0.000 0.448 470 L N 4.597 125.595 121.223 -0.375 0.000 2.365 470 L HA 0.815 5.154 4.340 -0.001 0.000 0.273 470 L C -1.149 175.671 176.870 -0.083 0.000 1.000 470 L CA -0.334 54.337 54.840 -0.282 0.000 0.819 470 L CB 1.616 43.621 42.059 -0.089 0.000 1.284 470 L HN 0.669 nan 8.230 nan 0.000 0.418 471 L N 4.041 125.239 121.223 -0.042 0.000 2.341 471 L HA 0.818 5.157 4.340 -0.001 0.000 0.278 471 L C -0.765 176.029 176.870 -0.127 0.000 1.005 471 L CA 0.451 55.323 54.840 0.054 0.000 0.818 471 L CB 1.955 44.122 42.059 0.179 0.000 1.259 471 L HN 0.721 nan 8.230 nan 0.000 0.418 472 T N 5.372 119.834 114.554 -0.153 0.000 2.956 472 T HA 0.514 4.863 4.350 -0.001 0.000 0.312 472 T C -2.843 171.785 174.700 -0.120 0.000 1.151 472 T CA -0.944 60.957 62.100 -0.332 0.000 1.024 472 T CB 2.153 70.912 68.868 -0.182 0.000 1.140 472 T HN 0.335 nan 8.240 nan 0.000 0.473 473 P HA 0.369 nan 4.420 nan 0.000 0.269 473 P C -0.866 176.340 177.300 -0.157 0.000 1.215 473 P CA -0.613 62.413 63.100 -0.123 0.000 0.780 473 P CB 0.419 31.997 31.700 -0.203 0.000 0.898 474 M N 3.446 122.953 119.600 -0.155 0.000 2.294 474 M HA 0.288 4.767 4.480 -0.001 0.000 0.335 474 M C -0.861 175.365 176.300 -0.123 0.000 1.079 474 M CA -1.367 53.862 55.300 -0.118 0.000 0.982 474 M CB 0.607 33.171 32.600 -0.060 0.000 1.651 474 M HN 0.160 nan 8.290 nan 0.000 0.437 475 L N 4.953 126.142 121.223 -0.057 0.000 2.720 475 L HA 0.016 4.355 4.340 -0.001 0.000 0.289 475 L C 0.633 177.661 176.870 0.264 0.000 1.232 475 L CA 1.328 56.254 54.840 0.144 0.000 0.915 475 L CB -0.476 41.825 42.059 0.403 0.000 1.184 475 L HN 1.023 nan 8.230 nan 0.000 0.491 476 G N 6.861 115.740 108.800 0.132 0.000 3.152 476 G HA2 0.206 4.165 3.960 -0.001 0.000 0.157 476 G HA3 0.206 4.165 3.960 -0.001 0.000 0.157 476 G C -2.415 172.428 174.900 -0.095 0.000 1.786 476 G CA -0.300 44.803 45.100 0.004 0.000 1.055 476 G HN 0.630 nan 8.290 nan 0.000 0.528 477 P HA 0.322 nan 4.420 nan 0.000 0.271 477 P C -0.103 176.878 177.300 -0.532 0.000 1.216 477 P CA -0.175 62.743 63.100 -0.302 0.000 0.771 477 P CB 0.770 32.337 31.700 -0.222 0.000 0.864 478 A N 3.916 126.260 122.820 -0.793 0.000 2.587 478 A HA 0.045 4.364 4.320 -0.001 0.000 0.235 478 A C 0.342 177.535 177.584 -0.653 0.000 1.044 478 A CA 0.177 51.453 52.037 -1.269 0.000 0.754 478 A CB -0.643 17.948 19.000 -0.682 0.000 0.968 478 A HN 0.473 nan 8.150 nan 0.000 0.509 479 L N 2.175 123.084 121.223 -0.524 0.000 2.466 479 L HA 0.226 4.566 4.340 -0.001 0.000 0.257 479 L C 0.880 177.677 176.870 -0.122 0.000 1.189 479 L CA 0.256 54.988 54.840 -0.181 0.000 0.813 479 L CB 0.078 42.121 42.059 -0.027 0.000 1.118 479 L HN 0.740 nan 8.230 nan 0.000 0.471 480 D N -0.388 119.958 120.400 -0.090 0.000 2.278 480 D HA -0.019 4.620 4.640 -0.001 0.000 0.240 480 D C 1.113 177.383 176.300 -0.051 0.000 1.347 480 D CA -0.323 53.639 54.000 -0.062 0.000 0.945 480 D CB 0.335 41.103 40.800 -0.052 0.000 1.175 480 D HN 0.150 nan 8.370 nan 0.000 0.519 481 L N 0.513 121.713 121.223 -0.038 0.000 1.925 481 L HA -0.048 4.291 4.340 -0.001 0.000 0.214 481 L C 1.022 177.858 176.870 -0.055 0.000 1.091 481 L CA 1.566 56.386 54.840 -0.033 0.000 0.768 481 L CB -1.113 40.935 42.059 -0.019 0.000 0.887 481 L HN 0.343 nan 8.230 nan 0.000 0.433 482 N N 0.198 118.869 118.700 -0.049 0.000 3.111 482 N HA 0.008 4.747 4.740 -0.001 0.000 0.302 482 N C 0.834 176.298 175.510 -0.077 0.000 1.317 482 N CA 0.600 53.615 53.050 -0.058 0.000 1.151 482 N CB 0.238 38.705 38.487 -0.033 0.000 1.456 482 N HN 0.555 nan 8.380 nan 0.000 0.547 483 T N -3.788 110.696 114.554 -0.117 0.000 2.987 483 T HA 0.159 4.508 4.350 -0.001 0.000 0.248 483 T C -1.075 173.493 174.700 -0.221 0.000 0.997 483 T CA -0.032 61.994 62.100 -0.123 0.000 1.013 483 T CB -0.537 68.280 68.868 -0.085 0.000 1.077 483 T HN -0.047 nan 8.240 nan 0.000 0.483 484 P HA 0.006 nan 4.420 nan 0.000 0.217 484 P C 1.742 178.725 177.300 -0.528 0.000 1.148 484 P CA 1.479 64.030 63.100 -0.915 0.000 0.828 484 P CB -0.608 30.109 31.700 -1.638 0.000 0.783 485 G N -0.843 107.775 108.800 -0.303 0.000 2.744 485 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.211 485 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.211 485 G C 1.351 176.218 174.900 -0.054 0.000 1.143 485 G CA 0.104 45.124 45.100 -0.134 0.000 0.788 485 G HN 0.277 nan 8.290 nan 0.000 0.534 486 R N -0.239 120.227 120.500 -0.057 0.000 2.437 486 R HA 0.363 4.703 4.340 -0.001 0.000 0.257 486 R C 0.551 176.895 176.300 0.074 0.000 0.927 486 R CA 0.350 56.483 56.100 0.054 0.000 1.078 486 R CB 0.908 31.240 30.300 0.053 0.000 1.161 486 R HN 0.206 nan 8.270 nan 0.000 0.529 487 A N 0.715 123.464 122.820 -0.118 0.000 3.253 487 A HA 0.236 4.555 4.320 -0.001 0.000 0.290 487 A C 0.749 178.053 177.584 -0.466 0.000 0.950 487 A CA -0.456 51.457 52.037 -0.206 0.000 0.986 487 A CB 0.173 19.184 19.000 0.019 0.000 1.104 487 A HN -0.017 nan 8.150 nan 0.000 0.481 488 T N -0.284 113.630 114.554 -1.068 0.000 2.759 488 T HA -0.123 4.227 4.350 -0.001 0.000 0.269 488 T C 2.114 176.206 174.700 -1.012 0.000 1.042 488 T CA 2.037 63.536 62.100 -1.002 0.000 1.140 488 T CB -0.115 68.011 68.868 -1.236 0.000 0.864 488 T HN 0.685 nan 8.240 nan 0.000 0.455 489 G N 1.359 109.294 108.800 -1.442 0.000 2.450 489 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.220 489 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.220 489 G C 1.725 176.567 174.900 -0.096 0.000 1.130 489 G CA 0.726 45.522 45.100 -0.508 0.000 0.760 489 G HN 0.613 nan 8.290 nan 0.000 0.557 490 A N 0.967 123.756 122.820 -0.051 0.000 2.234 490 A HA 0.040 4.359 4.320 -0.001 0.000 0.216 490 A C 2.206 179.815 177.584 0.042 0.000 1.167 490 A CA 1.217 53.322 52.037 0.114 0.000 0.698 490 A CB -0.559 18.556 19.000 0.192 0.000 0.779 490 A HN 0.870 nan 8.150 nan 0.000 0.475 491 I N -2.138 118.362 120.570 -0.118 0.000 3.564 491 I HA -0.049 4.120 4.170 -0.001 0.000 0.294 491 I C 1.981 178.075 176.117 -0.038 0.000 1.289 491 I CA 1.054 62.338 61.300 -0.027 0.000 1.325 491 I CB -0.458 37.467 38.000 -0.124 0.000 1.039 491 I HN 0.229 nan 8.210 nan 0.000 0.474 492 S N 1.439 117.084 115.700 -0.091 0.000 2.380 492 S HA -0.310 4.160 4.470 -0.001 0.000 0.229 492 S C 1.889 176.354 174.600 -0.226 0.000 1.043 492 S CA 1.568 59.625 58.200 -0.239 0.000 1.038 492 S CB -1.265 61.766 63.200 -0.281 0.000 0.872 492 S HN 0.660 nan 8.310 nan 0.000 0.456 493 Y N 2.965 123.295 120.300 0.050 0.000 2.293 493 Y HA -0.053 4.497 4.550 -0.001 0.000 0.291 493 Y C 3.232 179.177 175.900 0.075 0.000 1.137 493 Y CA 1.511 59.678 58.100 0.110 0.000 1.202 493 Y CB -0.778 37.765 38.460 0.138 0.000 0.990 493 Y HN 0.636 nan 8.280 nan 0.000 0.537 494 T N -4.620 109.978 114.554 0.073 0.000 3.046 494 T HA -0.011 4.339 4.350 -0.001 0.000 0.242 494 T C 1.895 176.581 174.700 -0.024 0.000 1.018 494 T CA 0.671 62.759 62.100 -0.020 0.000 1.131 494 T CB -0.858 67.805 68.868 -0.342 0.000 0.904 494 T HN 0.106 nan 8.240 nan 0.000 0.459 495 V N 1.631 121.495 119.914 -0.083 0.000 2.515 495 V HA -0.000 4.119 4.120 -0.001 0.000 0.250 495 V C 2.384 178.372 176.094 -0.177 0.000 1.058 495 V CA 1.292 63.522 62.300 -0.116 0.000 1.064 495 V CB -0.632 31.111 31.823 -0.133 0.000 0.675 495 V HN 0.463 nan 8.190 nan 0.000 0.461 496 L N -0.125 120.937 121.223 -0.269 0.000 2.129 496 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 496 L C 1.970 178.504 176.870 -0.560 0.000 1.087 496 L CA 2.300 56.874 54.840 -0.443 0.000 0.757 496 L CB -0.733 40.976 42.059 -0.583 0.000 0.896 496 L HN 0.529 nan 8.230 nan 0.000 0.434 497 Y N -1.435 118.826 120.300 -0.065 0.000 2.510 497 Y HA 0.112 4.661 4.550 -0.001 0.000 0.273 497 Y C 2.321 178.173 175.900 -0.080 0.000 1.119 497 Y CA 0.317 58.369 58.100 -0.081 0.000 1.286 497 Y CB -0.579 37.892 38.460 0.020 0.000 1.061 497 Y HN 0.267 nan 8.280 nan 0.000 0.542 498 N N -0.692 118.014 118.700 0.010 0.000 2.188 498 N HA -0.192 4.548 4.740 -0.001 0.000 0.184 498 N C 1.916 177.384 175.510 -0.070 0.000 1.018 498 N CA 1.409 54.441 53.050 -0.030 0.000 0.858 498 N CB -0.551 37.908 38.487 -0.047 0.000 0.989 498 N HN 0.361 nan 8.380 nan 0.000 0.426 499 C N 1.181 120.412 119.300 -0.115 0.000 2.446 499 C HA 0.065 4.524 4.460 -0.001 0.000 0.277 499 C C 2.615 177.540 174.990 -0.108 0.000 1.275 499 C CA 0.271 59.217 59.018 -0.120 0.000 1.727 499 C CB -1.141 26.501 27.740 -0.163 0.000 2.010 499 C HN 0.344 nan 8.230 nan 0.000 0.486 500 L N -0.011 121.100 121.223 -0.187 0.000 2.313 500 L HA 0.064 4.403 4.340 -0.001 0.000 0.214 500 L C 0.905 177.665 176.870 -0.183 0.000 1.119 500 L CA 1.219 55.851 54.840 -0.347 0.000 0.809 500 L CB -0.447 41.102 42.059 -0.851 0.000 0.933 500 L HN 0.306 nan 8.230 nan 0.000 0.449 501 D N -0.019 120.349 120.400 -0.053 0.000 2.689 501 D HA -0.248 4.391 4.640 -0.001 0.000 0.237 501 D C -0.441 175.966 176.300 0.180 0.000 1.148 501 D CA 0.667 54.677 54.000 0.016 0.000 0.656 501 D CB -1.112 39.655 40.800 -0.056 0.000 1.050 501 D HN 0.141 nan 8.370 nan 0.000 0.426 502 F N -0.431 119.487 119.950 -0.053 0.000 2.422 502 F HA 0.422 4.948 4.527 -0.001 0.000 0.333 502 F C -1.531 174.218 175.800 -0.085 0.000 1.095 502 F CA -2.685 55.258 58.000 -0.094 0.000 1.038 502 F CB 1.728 40.735 39.000 0.012 0.000 1.156 502 F HN -0.190 nan 8.300 nan 0.000 0.483 503 P HA 0.087 nan 4.420 nan 0.000 0.267 503 P C -1.228 176.081 177.300 0.016 0.000 1.209 503 P CA 0.101 63.204 63.100 0.005 0.000 0.763 503 P CB 0.696 32.379 31.700 -0.028 0.000 0.816 504 A N 3.443 126.271 122.820 0.013 0.000 2.371 504 A HA 0.813 5.132 4.320 -0.001 0.000 0.311 504 A C -0.134 177.446 177.584 -0.006 0.000 1.068 504 A CA -0.528 51.496 52.037 -0.023 0.000 0.744 504 A CB 1.584 20.568 19.000 -0.026 0.000 1.239 504 A HN 0.532 nan 8.150 nan 0.000 0.435 505 G N -0.330 108.466 108.800 -0.006 0.000 2.620 505 G HA2 0.592 4.552 3.960 -0.001 0.000 0.301 505 G HA3 0.592 4.552 3.960 -0.001 0.000 0.301 505 G C -1.706 173.182 174.900 -0.020 0.000 1.347 505 G CA -0.490 44.608 45.100 -0.002 0.000 0.971 505 G HN 1.224 nan 8.290 nan 0.000 0.488 506 V N 1.263 121.161 119.914 -0.027 0.000 2.555 506 V HA 0.791 4.910 4.120 -0.001 0.000 0.302 506 V C -0.766 175.310 176.094 -0.031 0.000 1.038 506 V CA -0.715 61.563 62.300 -0.038 0.000 0.887 506 V CB 1.674 33.467 31.823 -0.051 0.000 0.991 506 V HN 1.071 nan 8.190 nan 0.000 0.434 507 V N 8.339 128.227 119.914 -0.044 0.000 2.668 507 V HA 0.739 4.858 4.120 -0.001 0.000 0.304 507 V C -2.736 173.332 176.094 -0.043 0.000 1.071 507 V CA -2.010 60.263 62.300 -0.044 0.000 0.894 507 V CB 2.849 34.626 31.823 -0.077 0.000 1.008 507 V HN 0.835 nan 8.190 nan 0.000 0.425 508 P HA 0.228 nan 4.420 nan 0.000 0.276 508 P C 0.408 177.686 177.300 -0.037 0.000 1.243 508 P CA 0.243 63.326 63.100 -0.028 0.000 0.768 508 P CB 1.531 33.227 31.700 -0.007 0.000 0.856 509 V N 0.309 120.194 119.914 -0.048 0.000 3.539 509 V HA 0.336 4.455 4.120 -0.001 0.000 0.262 509 V C 0.591 176.660 176.094 -0.041 0.000 1.381 509 V CA 0.793 63.064 62.300 -0.048 0.000 1.060 509 V CB 0.299 32.087 31.823 -0.059 0.000 0.842 509 V HN 0.630 nan 8.190 nan 0.000 0.445 510 T N -0.341 114.183 114.554 -0.050 0.000 2.693 510 T HA 0.524 4.873 4.350 -0.001 0.000 0.304 510 T C -0.947 173.705 174.700 -0.080 0.000 1.471 510 T CA 0.525 62.596 62.100 -0.050 0.000 0.993 510 T CB 1.643 70.486 68.868 -0.042 0.000 1.554 510 T HN 0.815 nan 8.240 nan 0.000 0.496 511 T N -0.091 114.417 114.554 -0.076 0.000 2.916 511 T HA 0.658 5.007 4.350 -0.001 0.000 0.292 511 T C -0.644 174.004 174.700 -0.087 0.000 1.055 511 T CA -0.515 61.516 62.100 -0.114 0.000 1.009 511 T CB 1.140 69.942 68.868 -0.110 0.000 1.118 511 T HN 0.579 nan 8.240 nan 0.000 0.497 512 V N 4.588 124.439 119.914 -0.106 0.000 2.493 512 V HA 0.284 4.403 4.120 -0.001 0.000 0.292 512 V C 1.458 177.524 176.094 -0.047 0.000 1.016 512 V CA 0.078 62.331 62.300 -0.078 0.000 1.097 512 V CB -0.294 31.472 31.823 -0.094 0.000 0.947 512 V HN 1.122 nan 8.190 nan 0.000 0.479 513 T N 2.545 117.080 114.554 -0.033 0.000 2.824 513 T HA 0.577 4.927 4.350 -0.001 0.000 0.277 513 T C 1.374 176.065 174.700 -0.015 0.000 0.975 513 T CA -0.113 61.977 62.100 -0.018 0.000 0.966 513 T CB 1.628 70.489 68.868 -0.011 0.000 1.054 513 T HN 0.683 nan 8.240 nan 0.000 0.533 514 A N 0.323 123.138 122.820 -0.008 0.000 1.940 514 A HA 0.089 4.409 4.320 -0.001 0.000 0.219 514 A C 2.540 180.121 177.584 -0.005 0.000 1.176 514 A CA 2.046 54.080 52.037 -0.006 0.000 0.631 514 A CB -1.761 17.238 19.000 -0.001 0.000 0.814 514 A HN 1.145 nan 8.150 nan 0.000 0.446 515 E N -0.041 120.157 120.200 -0.003 0.000 2.285 515 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 515 E C 1.502 178.103 176.600 0.001 0.000 0.997 515 E CA 1.195 57.595 56.400 0.001 0.000 0.845 515 E CB -0.634 29.068 29.700 0.004 0.000 0.782 515 E HN 0.662 nan 8.360 nan 0.000 0.491 516 D N 0.254 120.649 120.400 -0.007 0.000 2.183 516 D HA -0.062 4.577 4.640 -0.001 0.000 0.203 516 D C 1.189 177.478 176.300 -0.019 0.000 0.969 516 D CA 1.374 55.367 54.000 -0.012 0.000 0.842 516 D CB -0.154 40.631 40.800 -0.024 0.000 0.957 516 D HN 0.439 nan 8.370 nan 0.000 0.484 517 D N -0.509 119.877 120.400 -0.023 0.000 2.333 517 D HA 0.133 4.772 4.640 -0.001 0.000 0.208 517 D C 1.829 178.120 176.300 -0.015 0.000 0.984 517 D CA 0.433 54.416 54.000 -0.029 0.000 0.873 517 D CB 0.310 41.090 40.800 -0.035 0.000 0.935 517 D HN 0.044 nan 8.370 nan 0.000 0.521 518 A N 0.091 122.908 122.820 -0.005 0.000 1.872 518 A HA -0.057 4.263 4.320 -0.001 0.000 0.214 518 A C 2.273 179.865 177.584 0.014 0.000 1.187 518 A CA 1.951 53.991 52.037 0.004 0.000 0.614 518 A CB -1.190 17.814 19.000 0.006 0.000 0.826 518 A HN 0.279 nan 8.150 nan 0.000 0.442 519 Q N -1.426 118.386 119.800 0.020 0.000 2.488 519 Q HA 0.127 4.466 4.340 -0.001 0.000 0.211 519 Q C 1.783 177.819 176.000 0.061 0.000 0.967 519 Q CA 1.623 57.448 55.803 0.037 0.000 0.926 519 Q CB -0.907 27.854 28.738 0.038 0.000 0.992 519 Q HN 0.573 nan 8.270 nan 0.000 0.506 520 M N 1.061 120.684 119.600 0.038 0.000 2.346 520 M HA -0.072 4.407 4.480 -0.001 0.000 0.263 520 M C 2.126 178.463 176.300 0.061 0.000 1.064 520 M CA 1.754 57.072 55.300 0.030 0.000 1.083 520 M CB -0.635 31.940 32.600 -0.041 0.000 1.399 520 M HN 0.667 nan 8.290 nan 0.000 0.435 521 E N -0.746 119.483 120.200 0.049 0.000 2.152 521 E HA 0.094 4.443 4.350 -0.001 0.000 0.192 521 E C 1.921 178.564 176.600 0.072 0.000 0.983 521 E CA 1.529 57.960 56.400 0.052 0.000 0.818 521 E CB -1.418 28.301 29.700 0.032 0.000 0.758 521 E HN 0.628 nan 8.360 nan 0.000 0.467 522 L N -0.677 120.590 121.223 0.073 0.000 2.627 522 L HA 0.536 4.876 4.340 -0.001 0.000 0.232 522 L C 1.239 178.160 176.870 0.086 0.000 1.150 522 L CA 0.127 55.005 54.840 0.063 0.000 0.917 522 L CB -1.619 40.464 42.059 0.040 0.000 1.104 522 L HN 0.551 nan 8.230 nan 0.000 0.445 523 Y N 1.861 122.156 120.300 -0.009 0.000 2.526 523 Y HA 0.428 4.977 4.550 -0.001 0.000 0.330 523 Y C 0.459 176.347 175.900 -0.020 0.000 1.156 523 Y CA 0.625 58.714 58.100 -0.018 0.000 1.419 523 Y CB 0.157 38.611 38.460 -0.010 0.000 1.250 523 Y HN 0.398 nan 8.280 nan 0.000 0.540 524 K N 4.276 124.434 120.400 -0.404 0.000 2.565 524 K HA 0.611 4.930 4.320 -0.001 0.000 0.251 524 K C -0.164 176.083 176.600 -0.588 0.000 0.956 524 K CA -0.346 55.742 56.287 -0.331 0.000 0.809 524 K CB 0.638 33.053 32.500 -0.140 0.000 1.267 524 K HN 1.105 nan 8.250 nan 0.000 0.438 525 G N -0.089 108.425 108.800 -0.476 0.000 2.684 525 G HA2 0.396 4.356 3.960 -0.001 0.000 0.255 525 G HA3 0.396 4.356 3.960 -0.001 0.000 0.255 525 G C 0.341 175.049 174.900 -0.319 0.000 1.219 525 G CA -0.028 44.807 45.100 -0.441 0.000 0.901 525 G HN 0.679 nan 8.290 nan 0.000 0.548 526 Y N -1.012 119.249 120.300 -0.065 0.000 2.421 526 Y HA 0.085 4.634 4.550 -0.001 0.000 0.292 526 Y C 1.955 177.607 175.900 -0.413 0.000 1.136 526 Y CA 0.895 58.844 58.100 -0.251 0.000 1.255 526 Y CB -0.125 38.132 38.460 -0.339 0.000 0.991 526 Y HN 0.421 nan 8.280 nan 0.000 0.552 527 F N -2.462 117.521 119.950 0.055 0.000 2.711 527 F HA 0.356 4.882 4.527 -0.001 0.000 0.296 527 F C 2.059 177.876 175.800 0.028 0.000 1.096 527 F CA 0.477 58.490 58.000 0.021 0.000 1.280 527 F CB 0.202 39.197 39.000 -0.010 0.000 1.060 527 F HN -0.053 nan 8.300 nan 0.000 0.608 528 G N 1.062 109.980 108.800 0.195 0.000 2.196 528 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.268 528 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.268 528 G C 0.137 175.150 174.900 0.187 0.000 0.975 528 G CA 0.671 45.855 45.100 0.140 0.000 0.648 528 G HN 0.440 nan 8.290 nan 0.000 0.538 529 D N 0.061 120.597 120.400 0.226 0.000 2.380 529 D HA 0.248 4.887 4.640 -0.001 0.000 0.254 529 D C 2.020 178.346 176.300 0.043 0.000 1.288 529 D CA -0.371 53.730 54.000 0.168 0.000 1.008 529 D CB -0.015 40.847 40.800 0.103 0.000 1.099 529 D HN 0.411 nan 8.370 nan 0.000 0.537 530 I N -1.008 119.485 120.570 -0.128 0.000 2.361 530 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 530 I C 1.147 177.325 176.117 0.102 0.000 1.133 530 I CA 1.134 62.383 61.300 -0.084 0.000 1.413 530 I CB -0.515 37.355 38.000 -0.217 0.000 1.073 530 I HN 0.358 nan 8.210 nan 0.000 0.424 531 W N 1.910 123.208 121.300 -0.003 0.000 2.363 531 W HA -0.148 4.511 4.660 -0.001 0.000 0.296 531 W C 2.352 178.922 176.519 0.086 0.000 1.212 531 W CA 0.945 58.304 57.345 0.023 0.000 1.260 531 W CB -1.393 28.062 29.460 -0.008 0.000 1.131 531 W HN 0.280 nan 8.180 nan 0.000 0.530 532 D N -0.215 120.384 120.400 0.332 0.000 2.144 532 D HA -0.134 4.506 4.640 -0.001 0.000 0.200 532 D C 2.177 178.639 176.300 0.269 0.000 0.978 532 D CA 1.093 55.278 54.000 0.307 0.000 0.833 532 D CB -0.284 40.660 40.800 0.241 0.000 0.961 532 D HN 0.011 nan 8.370 nan 0.000 0.470 533 I N 0.604 121.288 120.570 0.189 0.000 2.202 533 I HA -0.155 4.014 4.170 -0.001 0.000 0.242 533 I C 2.477 178.663 176.117 0.115 0.000 1.091 533 I CA 0.650 62.032 61.300 0.137 0.000 1.368 533 I CB -0.879 37.174 38.000 0.089 0.000 1.058 533 I HN -0.019 nan 8.210 nan 0.000 0.410 534 I N 0.062 120.705 120.570 0.122 0.000 2.315 534 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 534 I C 2.326 178.479 176.117 0.060 0.000 1.117 534 I CA 0.788 62.139 61.300 0.085 0.000 1.404 534 I CB -0.211 37.847 38.000 0.097 0.000 1.071 534 I HN 0.117 nan 8.210 nan 0.000 0.419 535 L N 0.603 121.884 121.223 0.096 0.000 2.191 535 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 535 L C 2.300 179.095 176.870 -0.124 0.000 1.103 535 L CA 1.754 56.611 54.840 0.029 0.000 0.769 535 L CB -0.859 41.275 42.059 0.126 0.000 0.908 535 L HN 0.174 nan 8.230 nan 0.000 0.438 536 K N -0.477 119.894 120.400 -0.049 0.000 2.007 536 K HA -0.173 4.147 4.320 -0.001 0.000 0.206 536 K C 2.324 178.881 176.600 -0.073 0.000 1.047 536 K CA 1.693 57.926 56.287 -0.091 0.000 0.937 536 K CB -0.015 32.546 32.500 0.101 0.000 0.718 536 K HN 0.221 nan 8.250 nan 0.000 0.438 537 K N 0.583 120.970 120.400 -0.023 0.000 2.044 537 K HA -0.120 4.199 4.320 -0.001 0.000 0.210 537 K C 2.081 178.650 176.600 -0.052 0.000 1.049 537 K CA 1.919 58.190 56.287 -0.026 0.000 0.927 537 K CB -1.310 31.187 32.500 -0.005 0.000 0.713 537 K HN 0.424 nan 8.250 nan 0.000 0.443 538 A N 0.074 122.858 122.820 -0.059 0.000 2.014 538 A HA 0.141 4.461 4.320 -0.001 0.000 0.218 538 A C 2.341 179.859 177.584 -0.110 0.000 1.163 538 A CA 1.571 53.565 52.037 -0.072 0.000 0.652 538 A CB -0.127 18.840 19.000 -0.055 0.000 0.808 538 A HN 0.528 nan 8.150 nan 0.000 0.449 539 M N -0.317 119.197 119.600 -0.144 0.000 2.502 539 M HA 0.091 4.571 4.480 -0.001 0.000 0.243 539 M C 1.185 177.395 176.300 -0.150 0.000 1.130 539 M CA 0.478 55.672 55.300 -0.176 0.000 1.055 539 M CB -0.230 32.231 32.600 -0.232 0.000 1.457 539 M HN 0.367 nan 8.290 nan 0.000 0.488 540 K N 1.104 121.434 120.400 -0.118 0.000 2.120 540 K HA 0.198 4.517 4.320 -0.001 0.000 0.245 540 K C 0.607 177.163 176.600 -0.073 0.000 1.024 540 K CA -0.304 55.933 56.287 -0.084 0.000 0.906 540 K CB -0.188 32.276 32.500 -0.059 0.000 1.051 540 K HN 0.469 nan 8.250 nan 0.000 0.491 541 N N -0.256 118.412 118.700 -0.054 0.000 2.738 541 N HA -0.141 4.598 4.740 -0.001 0.000 0.249 541 N C -0.266 175.212 175.510 -0.053 0.000 1.047 541 N CA 1.079 54.103 53.050 -0.043 0.000 0.707 541 N CB -1.181 37.285 38.487 -0.034 0.000 0.937 541 N HN 0.562 nan 8.380 nan 0.000 0.545 542 S N -0.946 114.715 115.700 -0.064 0.000 2.603 542 S HA 0.133 4.603 4.470 -0.001 0.000 0.232 542 S C 0.618 175.177 174.600 -0.069 0.000 1.016 542 S CA -0.294 57.854 58.200 -0.085 0.000 0.976 542 S CB 1.154 64.280 63.200 -0.123 0.000 0.921 542 S HN 0.237 nan 8.310 nan 0.000 0.516 543 V N 2.550 122.440 119.914 -0.040 0.000 2.452 543 V HA 0.364 4.483 4.120 -0.001 0.000 0.286 543 V C 1.482 177.573 176.094 -0.006 0.000 0.995 543 V CA 1.030 63.316 62.300 -0.024 0.000 1.116 543 V CB -0.663 31.155 31.823 -0.009 0.000 0.954 543 V HN 0.602 nan 8.190 nan 0.000 0.473 544 G N 3.776 112.564 108.800 -0.020 0.000 2.278 544 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.210 544 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.210 544 G C 0.069 174.920 174.900 -0.082 0.000 1.000 544 G CA -0.330 44.777 45.100 0.013 0.000 0.635 544 G HN 0.515 nan 8.290 nan 0.000 0.495 545 L N 2.928 124.048 121.223 -0.172 0.000 2.417 545 L HA 0.346 4.685 4.340 -0.001 0.000 0.268 545 L C -1.587 174.988 176.870 -0.493 0.000 1.158 545 L CA -1.431 53.164 54.840 -0.409 0.000 0.819 545 L CB 0.459 42.344 42.059 -0.291 0.000 1.112 545 L HN 0.072 nan 8.230 nan 0.000 0.458 546 P HA 0.145 nan 4.420 nan 0.000 0.276 546 P C -0.834 176.306 177.300 -0.266 0.000 1.230 546 P CA -0.165 62.649 63.100 -0.477 0.000 0.776 546 P CB 1.319 32.691 31.700 -0.547 0.000 0.888 547 V N 2.322 122.133 119.914 -0.172 0.000 2.628 547 V HA 0.744 4.863 4.120 -0.001 0.000 0.306 547 V C 0.402 176.454 176.094 -0.071 0.000 1.045 547 V CA -0.744 61.494 62.300 -0.104 0.000 0.905 547 V CB 1.596 33.363 31.823 -0.093 0.000 0.997 547 V HN 0.788 nan 8.190 nan 0.000 0.436 548 A N 3.159 125.954 122.820 -0.042 0.000 2.387 548 A HA 0.950 5.269 4.320 -0.001 0.000 0.303 548 A C -1.065 176.491 177.584 -0.047 0.000 1.145 548 A CA -0.714 51.301 52.037 -0.037 0.000 0.801 548 A CB 2.066 21.059 19.000 -0.011 0.000 1.342 548 A HN 0.677 nan 8.150 nan 0.000 0.440 549 V N 0.045 119.927 119.914 -0.054 0.000 2.864 549 V HA 0.527 4.647 4.120 -0.001 0.000 0.314 549 V C -0.354 175.708 176.094 -0.053 0.000 1.073 549 V CA -0.494 61.772 62.300 -0.058 0.000 0.956 549 V CB 1.850 33.633 31.823 -0.067 0.000 1.023 549 V HN 1.005 nan 8.190 nan 0.000 0.435 550 Q N 2.781 122.557 119.800 -0.041 0.000 2.282 550 Q HA 0.531 4.870 4.340 -0.001 0.000 0.260 550 Q C -1.579 174.422 176.000 0.003 0.000 0.964 550 Q CA -0.491 55.294 55.803 -0.029 0.000 0.880 550 Q CB 1.557 30.286 28.738 -0.015 0.000 1.286 550 Q HN 0.809 nan 8.270 nan 0.000 0.445 551 C N 3.534 122.851 119.300 0.028 0.000 2.369 551 C HA 0.692 5.152 4.460 -0.001 0.000 0.322 551 C C -0.460 174.576 174.990 0.077 0.000 1.258 551 C CA -0.805 58.306 59.018 0.155 0.000 1.487 551 C CB 0.635 28.513 27.740 0.229 0.000 2.165 551 C HN 0.626 nan 8.230 nan 0.000 0.483 552 V N 2.820 122.761 119.914 0.045 0.000 2.628 552 V HA 0.907 5.027 4.120 -0.001 0.000 0.306 552 V C 0.366 176.549 176.094 0.148 0.000 1.045 552 V CA -0.031 62.265 62.300 -0.007 0.000 0.905 552 V CB 1.788 33.457 31.823 -0.256 0.000 0.997 552 V HN 1.111 nan 8.190 nan 0.000 0.436 553 A N 3.637 126.508 122.820 0.084 0.000 2.437 553 A HA 0.871 5.190 4.320 -0.001 0.000 0.288 553 A C -0.641 176.678 177.584 -0.442 0.000 1.201 553 A CA -0.834 51.230 52.037 0.045 0.000 0.795 553 A CB 0.949 19.955 19.000 0.010 0.000 1.359 553 A HN 0.719 nan 8.150 nan 0.000 0.435 554 L N 0.788 121.567 121.223 -0.741 0.000 2.476 554 L HA 0.229 4.569 4.340 -0.001 0.000 0.264 554 L C -1.995 174.426 176.870 -0.749 0.000 1.224 554 L CA -1.436 52.675 54.840 -1.214 0.000 0.821 554 L CB 0.350 41.852 42.059 -0.929 0.000 1.101 554 L HN 0.408 nan 8.230 nan 0.000 0.488 555 P HA -0.049 nan 4.420 nan 0.000 0.268 555 P C -0.979 176.131 177.300 -0.317 0.000 1.205 555 P CA 0.122 62.900 63.100 -0.536 0.000 0.771 555 P CB 0.183 31.568 31.700 -0.525 0.000 0.858 556 W N 0.013 121.254 121.300 -0.098 0.000 3.834 556 W HA -0.182 4.477 4.660 -0.001 0.000 0.320 556 W C 0.083 176.549 176.519 -0.089 0.000 1.201 556 W CA 0.014 57.315 57.345 -0.074 0.000 0.701 556 W CB -2.517 26.900 29.460 -0.071 0.000 2.264 556 W HN 0.355 nan 8.180 nan 0.000 1.413 557 Q N 0.144 119.959 119.800 0.024 0.000 2.773 557 Q HA 0.180 4.519 4.340 -0.001 0.000 0.373 557 Q C 0.951 176.949 176.000 -0.003 0.000 0.940 557 Q CA -0.027 55.772 55.803 -0.007 0.000 1.015 557 Q CB 0.953 29.655 28.738 -0.060 0.000 1.349 557 Q HN 0.303 nan 8.270 nan 0.000 0.413 558 E N 1.077 121.293 120.200 0.027 0.000 2.112 558 E HA -0.151 4.198 4.350 -0.001 0.000 0.190 558 E C 1.664 178.301 176.600 0.061 0.000 0.979 558 E CA 1.048 57.480 56.400 0.054 0.000 0.814 558 E CB 0.424 30.184 29.700 0.100 0.000 0.762 558 E HN 0.435 nan 8.360 nan 0.000 0.460 559 E N 0.454 120.643 120.200 -0.018 0.000 2.158 559 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 559 E C 1.998 178.641 176.600 0.072 0.000 0.982 559 E CA 0.532 56.887 56.400 -0.074 0.000 0.823 559 E CB -0.314 29.060 29.700 -0.544 0.000 0.766 559 E HN 0.208 nan 8.360 nan 0.000 0.468 560 L N 1.511 122.758 121.223 0.039 0.000 2.093 560 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 560 L C 2.482 179.425 176.870 0.122 0.000 1.085 560 L CA 1.298 56.181 54.840 0.071 0.000 0.755 560 L CB -0.781 41.294 42.059 0.027 0.000 0.904 560 L HN 0.324 nan 8.230 nan 0.000 0.435 561 C N -0.959 118.407 119.300 0.111 0.000 2.429 561 C HA -0.120 4.340 4.460 -0.001 0.000 0.277 561 C C 2.753 177.862 174.990 0.199 0.000 1.262 561 C CA 0.772 59.881 59.018 0.151 0.000 1.733 561 C CB -0.994 26.802 27.740 0.094 0.000 2.010 561 C HN 0.589 nan 8.230 nan 0.000 0.483 562 L N 0.634 121.975 121.223 0.198 0.000 2.056 562 L HA -0.090 4.249 4.340 -0.001 0.000 0.207 562 L C 3.057 180.130 176.870 0.339 0.000 1.078 562 L CA 1.559 56.547 54.840 0.247 0.000 0.749 562 L CB -0.824 41.380 42.059 0.243 0.000 0.901 562 L HN 0.366 nan 8.230 nan 0.000 0.433 563 R N 0.431 121.148 120.500 0.362 0.000 2.112 563 R HA -0.286 4.054 4.340 -0.001 0.000 0.242 563 R C 2.344 178.749 176.300 0.175 0.000 1.137 563 R CA 2.315 58.546 56.100 0.219 0.000 0.944 563 R CB -0.921 29.469 30.300 0.151 0.000 0.857 563 R HN 0.342 nan 8.270 nan 0.000 0.435 564 F N 0.730 120.695 119.950 0.026 0.000 2.171 564 F HA -0.164 4.363 4.527 -0.001 0.000 0.300 564 F C 2.420 178.208 175.800 -0.021 0.000 1.090 564 F CA 1.415 59.395 58.000 -0.034 0.000 1.293 564 F CB -0.033 38.938 39.000 -0.049 0.000 1.013 564 F HN 0.021 nan 8.300 nan 0.000 0.486 565 M N -0.241 119.305 119.600 -0.090 0.000 2.117 565 M HA -0.205 4.274 4.480 -0.001 0.000 0.262 565 M C 2.362 178.588 176.300 -0.124 0.000 1.065 565 M CA 1.598 56.798 55.300 -0.167 0.000 1.114 565 M CB -0.441 32.151 32.600 -0.013 0.000 1.361 565 M HN 0.061 nan 8.290 nan 0.000 0.408 566 R N 0.286 120.782 120.500 -0.007 0.000 2.083 566 R HA -0.236 4.103 4.340 -0.001 0.000 0.237 566 R C 2.015 178.280 176.300 -0.058 0.000 1.137 566 R CA 2.038 58.140 56.100 0.003 0.000 0.951 566 R CB -0.136 30.185 30.300 0.035 0.000 0.851 566 R HN 0.224 nan 8.270 nan 0.000 0.434 567 E N -0.369 119.776 120.200 -0.092 0.000 2.077 567 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 567 E C 1.761 178.261 176.600 -0.167 0.000 0.989 567 E CA 1.494 57.834 56.400 -0.099 0.000 0.800 567 E CB -0.007 29.641 29.700 -0.086 0.000 0.746 567 E HN 0.175 nan 8.360 nan 0.000 0.452 568 V N 0.643 120.368 119.914 -0.315 0.000 2.407 568 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 568 V C 2.381 178.373 176.094 -0.171 0.000 1.041 568 V CA 1.935 64.044 62.300 -0.317 0.000 1.040 568 V CB -0.479 31.026 31.823 -0.530 0.000 0.671 568 V HN 0.382 nan 8.190 nan 0.000 0.455 569 E N -0.290 119.828 120.200 -0.136 0.000 2.077 569 E HA -0.281 4.069 4.350 -0.001 0.000 0.193 569 E C 2.298 178.872 176.600 -0.043 0.000 0.989 569 E CA 1.286 57.645 56.400 -0.068 0.000 0.800 569 E CB -0.076 29.601 29.700 -0.039 0.000 0.746 569 E HN 0.484 nan 8.360 nan 0.000 0.452 570 Q N 0.132 119.907 119.800 -0.042 0.000 2.230 570 Q HA -0.076 4.263 4.340 -0.001 0.000 0.202 570 Q C 2.285 178.275 176.000 -0.017 0.000 0.963 570 Q CA 0.744 56.535 55.803 -0.020 0.000 0.866 570 Q CB 0.117 28.848 28.738 -0.012 0.000 0.931 570 Q HN 0.404 nan 8.270 nan 0.000 0.452 571 L N -0.707 120.498 121.223 -0.030 0.000 2.162 571 L HA -0.068 4.271 4.340 -0.001 0.000 0.205 571 L C 2.180 179.036 176.870 -0.023 0.000 1.086 571 L CA 0.513 55.341 54.840 -0.020 0.000 0.778 571 L CB -0.130 41.917 42.059 -0.020 0.000 0.928 571 L HN 0.178 nan 8.230 nan 0.000 0.446 572 M N -1.325 118.253 119.600 -0.037 0.000 2.486 572 M HA 0.117 4.597 4.480 -0.001 0.000 0.264 572 M C 0.888 177.178 176.300 -0.018 0.000 1.125 572 M CA 0.696 55.977 55.300 -0.032 0.000 1.144 572 M CB -0.496 32.076 32.600 -0.047 0.000 1.353 572 M HN 0.130 nan 8.290 nan 0.000 0.466 573 T N 0.000 114.545 114.554 -0.015 0.000 3.816 573 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 573 T CA 0.000 62.100 62.100 0.000 0.000 1.349 573 T CB 0.000 68.871 68.868 0.006 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658