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 1z6t_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDAKARNCLL QHREALEKDI KTSYIMDHMI SDGFLTISEE EKVRNEPTQQ DATA SEQUENCE QRAAMLIKMI LKKDNDSYVS FYNALLHEGY KDLAALLHDG IPVVSSSSGK DATA SEQUENCE DSVSGITSYV RTVLCEGGVP QRPVVFVTRK KLVNAIQQKL SKLKGEPGWV DATA SEQUENCE TIHGMAGCGK SVLAAEAVRD HSLLEGCFPG GVHWVSVGKQ DKSGLLMKLQ DATA SEQUENCE NLCTRLDQDE SFSQRLPLNI EEAKDRLRIL MLRKHPRSLL ILDDVWDSWV DATA SEQUENCE LKAFDSQCQI LLTTRDKSVT DSVMGPKYVV PVESSLGKEK GLEILSLFVN DATA SEQUENCE MKKADLPEQA HSIIKECKGS PLVVSLIGAL LRDFPNRWEY YLKQLQNKQF DATA SEQUENCE KRIRKSSSYD YEALDEAMSI SVEMLREDIK DYYTDLSILQ KDVKVPTKVL DATA SEQUENCE CILWDMETEE VEDILQEFVN KSLLFCDRNG KSFRYYLHDL QVDFLTEKNC DATA SEQUENCE SQLQDLHKKI ITQFQRYHQP HTLSPDQEDC MYWYNFLAYH MASAKMHKEL DATA SEQUENCE CALMFSLDWI KAKTELVGPA HLIHEFVEYR HILDEKDCAV SENFQEFLSL DATA SEQUENCE NGHLLGRQPF PNIVQLGLCE PETSEVYQQA KLQAKQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 D N 1.284 121.630 120.400 -0.091 0.000 2.419 2 D HA 0.329 4.969 4.640 -0.000 0.000 0.236 2 D C 1.120 177.368 176.300 -0.086 0.000 1.165 2 D CA 0.840 54.785 54.000 -0.091 0.000 0.882 2 D CB 1.233 41.960 40.800 -0.122 0.000 1.201 2 D HN 0.752 nan 8.370 nan 0.000 0.443 3 A N 2.690 125.471 122.820 -0.064 0.000 1.908 3 A HA -0.239 4.080 4.320 -0.000 0.000 0.218 3 A C 1.912 179.458 177.584 -0.064 0.000 1.181 3 A CA 1.466 53.473 52.037 -0.051 0.000 0.627 3 A CB -0.343 18.634 19.000 -0.038 0.000 0.818 3 A HN 0.554 nan 8.150 nan 0.000 0.445 4 K N -0.498 119.851 120.400 -0.085 0.000 2.034 4 K HA -0.225 4.095 4.320 -0.000 0.000 0.214 4 K C 2.344 178.872 176.600 -0.121 0.000 1.051 4 K CA 1.544 57.774 56.287 -0.095 0.000 0.931 4 K CB -0.400 32.030 32.500 -0.117 0.000 0.715 4 K HN 0.472 nan 8.250 nan 0.000 0.446 5 A N 1.444 124.127 122.820 -0.229 0.000 1.902 5 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 5 A C 2.084 179.644 177.584 -0.039 0.000 1.181 5 A CA 1.378 53.184 52.037 -0.385 0.000 0.623 5 A CB -0.426 18.118 19.000 -0.759 0.000 0.818 5 A HN 0.248 nan 8.150 nan 0.000 0.443 6 R N -0.264 120.224 120.500 -0.020 0.000 2.080 6 R HA -0.140 4.200 4.340 -0.000 0.000 0.236 6 R C 1.862 178.193 176.300 0.051 0.000 1.137 6 R CA 1.589 57.716 56.100 0.045 0.000 0.943 6 R CB -0.468 29.838 30.300 0.010 0.000 0.846 6 R HN 0.508 nan 8.270 nan 0.000 0.431 7 N N 0.454 119.163 118.700 0.014 0.000 2.223 7 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 7 N C 1.868 177.384 175.510 0.010 0.000 1.016 7 N CA 1.039 54.091 53.050 0.003 0.000 0.863 7 N CB -0.624 37.854 38.487 -0.016 0.000 0.983 7 N HN 0.261 nan 8.380 nan 0.000 0.429 8 C N 0.436 119.771 119.300 0.058 0.000 2.476 8 C HA 0.073 4.533 4.460 -0.000 0.000 0.278 8 C C 2.606 177.710 174.990 0.191 0.000 1.274 8 C CA 0.157 59.249 59.018 0.123 0.000 1.713 8 C CB -1.155 26.712 27.740 0.211 0.000 2.039 8 C HN 0.356 nan 8.230 nan 0.000 0.484 9 L N 1.049 122.432 121.223 0.266 0.000 2.042 9 L HA -0.051 4.288 4.340 -0.000 0.000 0.210 9 L C 2.303 179.253 176.870 0.133 0.000 1.076 9 L CA 1.942 56.932 54.840 0.250 0.000 0.749 9 L CB -1.007 41.221 42.059 0.283 0.000 0.893 9 L HN 0.391 nan 8.230 nan 0.000 0.432 10 L N -0.899 120.370 121.223 0.075 0.000 2.017 10 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 10 L C 2.684 179.544 176.870 -0.017 0.000 1.073 10 L CA 1.818 56.674 54.840 0.026 0.000 0.745 10 L CB -0.624 41.440 42.059 0.009 0.000 0.894 10 L HN 0.474 nan 8.230 nan 0.000 0.432 11 Q N -0.182 119.563 119.800 -0.092 0.000 2.096 11 Q HA -0.237 4.102 4.340 -0.000 0.000 0.204 11 Q C 1.468 177.330 176.000 -0.230 0.000 0.982 11 Q CA 1.880 57.543 55.803 -0.233 0.000 0.850 11 Q CB 0.013 28.481 28.738 -0.450 0.000 0.901 11 Q HN 0.626 nan 8.270 nan 0.000 0.422 12 H N -1.392 117.718 119.070 0.067 0.000 2.549 12 H HA 0.193 4.749 4.556 -0.000 0.000 0.279 12 H C 1.458 176.820 175.328 0.057 0.000 1.018 12 H CA -0.202 55.883 56.048 0.062 0.000 1.175 12 H CB 0.408 30.213 29.762 0.072 0.000 1.485 12 H HN 0.161 nan 8.280 nan 0.000 0.543 13 R N 1.399 121.979 120.500 0.132 0.000 2.139 13 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 13 R C 2.099 178.443 176.300 0.073 0.000 1.145 13 R CA 1.470 57.626 56.100 0.093 0.000 0.976 13 R CB 0.084 30.419 30.300 0.058 0.000 0.866 13 R HN 0.344 nan 8.270 nan 0.000 0.449 14 E N 0.467 120.709 120.200 0.071 0.000 2.028 14 E HA -0.170 4.179 4.350 -0.000 0.000 0.191 14 E C 1.674 178.313 176.600 0.064 0.000 0.988 14 E CA 1.578 58.013 56.400 0.058 0.000 0.799 14 E CB -0.171 29.561 29.700 0.054 0.000 0.755 14 E HN 0.441 nan 8.360 nan 0.000 0.447 15 A N 1.130 124.004 122.820 0.089 0.000 1.930 15 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 15 A C 2.472 180.083 177.584 0.046 0.000 1.175 15 A CA 0.999 53.080 52.037 0.074 0.000 0.627 15 A CB -0.593 18.462 19.000 0.091 0.000 0.815 15 A HN 0.305 nan 8.150 nan 0.000 0.443 16 L N -0.875 120.379 121.223 0.052 0.000 2.141 16 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 16 L C 2.488 179.363 176.870 0.008 0.000 1.094 16 L CA 1.329 56.179 54.840 0.016 0.000 0.763 16 L CB -0.404 41.698 42.059 0.072 0.000 0.908 16 L HN 0.454 nan 8.230 nan 0.000 0.437 17 E N -0.027 120.190 120.200 0.028 0.000 2.072 17 E HA -0.216 4.134 4.350 -0.000 0.000 0.190 17 E C 2.105 178.715 176.600 0.017 0.000 0.982 17 E CA 0.715 57.127 56.400 0.020 0.000 0.803 17 E CB 0.042 29.756 29.700 0.024 0.000 0.755 17 E HN 0.262 nan 8.360 nan 0.000 0.453 18 K N 0.494 120.909 120.400 0.025 0.000 2.209 18 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 18 K C 0.768 177.388 176.600 0.034 0.000 1.048 18 K CA 1.443 57.748 56.287 0.030 0.000 0.940 18 K CB 0.269 32.791 32.500 0.037 0.000 0.729 18 K HN 0.102 nan 8.250 nan 0.000 0.451 19 D N 0.270 120.688 120.400 0.031 0.000 2.766 19 D HA 0.044 4.683 4.640 -0.000 0.000 0.284 19 D C 0.935 177.274 176.300 0.064 0.000 1.050 19 D CA 0.030 54.067 54.000 0.063 0.000 0.945 19 D CB 0.093 40.944 40.800 0.086 0.000 1.272 19 D HN 0.271 nan 8.370 nan 0.000 0.482 20 I N 0.815 121.338 120.570 -0.078 0.000 2.648 20 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 20 I C -0.321 175.798 176.117 0.003 0.000 1.153 20 I CA -0.156 61.002 61.300 -0.238 0.000 1.426 20 I CB 0.573 38.252 38.000 -0.536 0.000 1.381 20 I HN -0.321 nan 8.210 nan 0.000 0.571 21 K N 4.456 124.964 120.400 0.181 0.000 2.098 21 K HA 0.351 4.671 4.320 -0.000 0.000 0.261 21 K C 0.737 177.472 176.600 0.225 0.000 0.987 21 K CA -0.196 56.189 56.287 0.164 0.000 0.916 21 K CB 1.538 34.097 32.500 0.098 0.000 1.039 21 K HN 0.790 nan 8.250 nan 0.000 0.455 22 T N -3.534 111.114 114.554 0.157 0.000 2.971 22 T HA -0.056 4.294 4.350 -0.000 0.000 0.252 22 T C 1.784 176.542 174.700 0.096 0.000 1.022 22 T CA 0.348 62.520 62.100 0.119 0.000 0.980 22 T CB -0.022 68.876 68.868 0.050 0.000 1.044 22 T HN 0.493 nan 8.240 nan 0.000 0.501 23 S N 1.817 117.567 115.700 0.083 0.000 2.359 23 S HA -0.216 4.254 4.470 -0.000 0.000 0.222 23 S C 1.706 176.181 174.600 -0.208 0.000 1.038 23 S CA 1.271 59.407 58.200 -0.107 0.000 1.051 23 S CB -1.197 61.867 63.200 -0.227 0.000 0.944 23 S HN 0.584 nan 8.310 nan 0.000 0.433 24 Y N 1.554 121.854 120.300 0.001 0.000 2.337 24 Y HA 0.249 4.799 4.550 -0.000 0.000 0.293 24 Y C 2.368 177.985 175.900 -0.471 0.000 1.123 24 Y CA 0.077 58.046 58.100 -0.218 0.000 1.201 24 Y CB -0.607 37.760 38.460 -0.155 0.000 1.011 24 Y HN 0.175 nan 8.280 nan 0.000 0.545 25 I N -0.188 120.381 120.570 -0.001 0.000 2.113 25 I HA -0.427 3.742 4.170 -0.000 0.000 0.242 25 I C 2.311 178.416 176.117 -0.019 0.000 1.064 25 I CA 1.801 63.131 61.300 0.051 0.000 1.320 25 I CB -0.425 37.709 38.000 0.222 0.000 1.028 25 I HN 0.259 nan 8.210 nan 0.000 0.406 26 M N -0.083 119.505 119.600 -0.020 0.000 2.149 26 M HA -0.250 4.230 4.480 -0.000 0.000 0.261 26 M C 1.784 178.045 176.300 -0.065 0.000 1.064 26 M CA 1.716 57.000 55.300 -0.027 0.000 1.102 26 M CB -0.800 31.775 32.600 -0.042 0.000 1.369 26 M HN 0.237 nan 8.290 nan 0.000 0.408 27 D N -0.317 119.988 120.400 -0.158 0.000 2.092 27 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 27 D C 1.903 178.164 176.300 -0.065 0.000 0.994 27 D CA 1.358 55.270 54.000 -0.147 0.000 0.828 27 D CB -0.708 39.971 40.800 -0.202 0.000 0.963 27 D HN 0.400 nan 8.370 nan 0.000 0.450 28 H N -0.127 118.929 119.070 -0.023 0.000 2.352 28 H HA -0.004 4.551 4.556 -0.000 0.000 0.299 28 H C 2.264 177.614 175.328 0.037 0.000 1.097 28 H CA 0.892 56.909 56.048 -0.051 0.000 1.311 28 H CB -0.456 29.230 29.762 -0.126 0.000 1.377 28 H HN 0.247 nan 8.280 nan 0.000 0.504 29 M N -0.355 119.361 119.600 0.193 0.000 2.156 29 M HA -0.054 4.425 4.480 -0.000 0.000 0.264 29 M C 2.484 178.861 176.300 0.128 0.000 1.067 29 M CA 1.045 56.473 55.300 0.214 0.000 1.131 29 M CB -0.197 32.526 32.600 0.206 0.000 1.368 29 M HN 0.076 nan 8.290 nan 0.000 0.416 30 I N 0.005 120.610 120.570 0.058 0.000 2.118 30 I HA -0.381 3.789 4.170 -0.000 0.000 0.241 30 I C 2.847 178.962 176.117 -0.004 0.000 1.070 30 I CA 1.842 63.148 61.300 0.010 0.000 1.327 30 I CB -0.412 37.578 38.000 -0.016 0.000 1.034 30 I HN 0.360 nan 8.210 nan 0.000 0.405 31 S N 0.524 116.233 115.700 0.016 0.000 2.359 31 S HA -0.260 4.210 4.470 -0.000 0.000 0.224 31 S C 1.754 176.348 174.600 -0.010 0.000 1.035 31 S CA 2.063 60.269 58.200 0.010 0.000 1.018 31 S CB -0.386 62.838 63.200 0.041 0.000 0.876 31 S HN 0.381 nan 8.310 nan 0.000 0.448 32 D N 0.757 121.176 120.400 0.032 0.000 2.221 32 D HA 0.068 4.707 4.640 -0.000 0.000 0.204 32 D C 1.515 177.614 176.300 -0.336 0.000 0.982 32 D CA 1.337 55.334 54.000 -0.005 0.000 0.857 32 D CB -0.675 40.284 40.800 0.264 0.000 0.934 32 D HN 0.695 nan 8.370 nan 0.000 0.475 33 G N -0.584 108.054 108.800 -0.270 0.000 2.130 33 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 33 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 33 G C 0.401 175.029 174.900 -0.452 0.000 0.999 33 G CA -0.081 44.803 45.100 -0.360 0.000 0.686 33 G HN 0.296 nan 8.290 nan 0.000 0.515 34 F N -0.894 119.070 119.950 0.024 0.000 2.661 34 F HA 0.679 5.206 4.527 -0.000 0.000 0.306 34 F C 0.674 176.474 175.800 0.001 0.000 1.094 34 F CA -0.377 57.635 58.000 0.019 0.000 1.254 34 F CB 0.718 39.740 39.000 0.036 0.000 1.040 34 F HN 0.256 nan 8.300 nan 0.000 0.562 35 L N -0.414 120.874 121.223 0.109 0.000 2.415 35 L HA 0.734 5.074 4.340 -0.000 0.000 0.256 35 L C -0.172 176.705 176.870 0.011 0.000 1.010 35 L CA -0.341 54.530 54.840 0.052 0.000 0.826 35 L CB 2.107 44.193 42.059 0.045 0.000 1.405 35 L HN 0.021 nan 8.230 nan 0.000 0.410 36 T N -0.665 113.887 114.554 -0.003 0.000 2.910 36 T HA 0.463 4.813 4.350 -0.000 0.000 0.287 36 T C 1.013 175.698 174.700 -0.024 0.000 1.050 36 T CA -0.771 61.319 62.100 -0.015 0.000 1.011 36 T CB 0.929 69.789 68.868 -0.014 0.000 1.195 36 T HN 0.411 nan 8.240 nan 0.000 0.540 37 I N 1.340 121.893 120.570 -0.028 0.000 2.353 37 I HA -0.100 4.070 4.170 -0.000 0.000 0.248 37 I C 2.873 178.970 176.117 -0.034 0.000 1.119 37 I CA 1.584 62.863 61.300 -0.035 0.000 1.417 37 I CB -1.522 36.457 38.000 -0.036 0.000 1.078 37 I HN 0.897 nan 8.210 nan 0.000 0.421 38 S N 0.633 116.316 115.700 -0.028 0.000 2.368 38 S HA -0.178 4.291 4.470 -0.000 0.000 0.225 38 S C 1.737 176.320 174.600 -0.028 0.000 1.030 38 S CA 0.990 59.174 58.200 -0.027 0.000 0.999 38 S CB -0.539 62.648 63.200 -0.022 0.000 0.844 38 S HN 0.501 nan 8.310 nan 0.000 0.459 39 E N 1.250 121.433 120.200 -0.027 0.000 2.047 39 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 39 E C 2.276 178.855 176.600 -0.035 0.000 0.987 39 E CA 1.107 57.489 56.400 -0.030 0.000 0.799 39 E CB -0.231 29.451 29.700 -0.029 0.000 0.752 39 E HN 0.708 nan 8.360 nan 0.000 0.449 40 E N 1.163 121.340 120.200 -0.038 0.000 2.058 40 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 40 E C 2.064 178.637 176.600 -0.044 0.000 0.997 40 E CA 1.180 57.554 56.400 -0.044 0.000 0.801 40 E CB 0.031 29.700 29.700 -0.052 0.000 0.746 40 E HN 0.201 nan 8.360 nan 0.000 0.450 41 E N 0.439 120.613 120.200 -0.042 0.000 2.085 41 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 41 E C 2.096 178.674 176.600 -0.035 0.000 0.994 41 E CA 1.369 57.745 56.400 -0.041 0.000 0.801 41 E CB 0.021 29.698 29.700 -0.038 0.000 0.743 41 E HN 0.070 nan 8.360 nan 0.000 0.453 42 K N -0.249 120.132 120.400 -0.032 0.000 2.155 42 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 42 K C 1.916 178.499 176.600 -0.029 0.000 1.052 42 K CA 0.962 57.232 56.287 -0.029 0.000 0.948 42 K CB 0.239 32.722 32.500 -0.027 0.000 0.728 42 K HN 0.024 nan 8.250 nan 0.000 0.448 43 V N 0.729 120.623 119.914 -0.033 0.000 2.407 43 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 43 V C 2.370 178.447 176.094 -0.028 0.000 1.041 43 V CA 1.532 63.813 62.300 -0.031 0.000 1.040 43 V CB -0.406 31.396 31.823 -0.034 0.000 0.671 43 V HN 0.337 nan 8.190 nan 0.000 0.455 44 R N 0.747 121.228 120.500 -0.033 0.000 2.081 44 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 44 R C 2.296 178.578 176.300 -0.030 0.000 1.131 44 R CA 1.801 57.881 56.100 -0.034 0.000 0.960 44 R CB -0.460 29.813 30.300 -0.045 0.000 0.856 44 R HN 0.523 nan 8.270 nan 0.000 0.436 45 N N 1.090 119.772 118.700 -0.029 0.000 2.139 45 N HA -0.209 4.531 4.740 -0.000 0.000 0.199 45 N C -0.433 175.065 175.510 -0.020 0.000 1.003 45 N CA 1.401 54.436 53.050 -0.025 0.000 0.892 45 N CB -0.229 38.244 38.487 -0.024 0.000 1.039 45 N HN 0.284 nan 8.380 nan 0.000 0.461 46 E N 0.074 120.262 120.200 -0.019 0.000 2.360 46 E HA 0.042 4.392 4.350 -0.000 0.000 0.269 46 E C -1.531 175.061 176.600 -0.012 0.000 1.022 46 E CA -1.422 54.969 56.400 -0.014 0.000 0.887 46 E CB 0.629 30.321 29.700 -0.013 0.000 0.990 46 E HN 0.325 nan 8.360 nan 0.000 0.426 47 P HA -0.082 nan 4.420 nan 0.000 0.219 47 P C 0.538 177.835 177.300 -0.005 0.000 1.150 47 P CA 1.209 64.305 63.100 -0.007 0.000 0.814 47 P CB 0.243 31.941 31.700 -0.004 0.000 0.787 48 T N -4.761 109.791 114.554 -0.003 0.000 2.942 48 T HA 0.263 4.612 4.350 -0.000 0.000 0.289 48 T C 0.970 175.669 174.700 -0.002 0.000 1.044 48 T CA -0.753 61.347 62.100 -0.001 0.000 1.023 48 T CB 1.734 70.604 68.868 0.003 0.000 1.123 48 T HN -0.087 nan 8.240 nan 0.000 0.512 49 Q N -0.232 119.567 119.800 -0.002 0.000 2.167 49 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 49 Q C 2.009 178.011 176.000 0.003 0.000 0.970 49 Q CA 1.293 57.095 55.803 -0.002 0.000 0.855 49 Q CB -0.065 28.669 28.738 -0.006 0.000 0.911 49 Q HN 0.754 nan 8.270 nan 0.000 0.438 50 Q N -0.238 119.566 119.800 0.006 0.000 2.172 50 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 50 Q C 1.959 177.961 176.000 0.004 0.000 0.964 50 Q CA 1.175 56.983 55.803 0.008 0.000 0.855 50 Q CB 0.157 28.902 28.738 0.011 0.000 0.918 50 Q HN 0.540 nan 8.270 nan 0.000 0.444 51 Q N -0.110 119.691 119.800 0.001 0.000 2.137 51 Q HA -0.067 4.273 4.340 -0.000 0.000 0.198 51 Q C 2.034 178.030 176.000 -0.006 0.000 0.960 51 Q CA 0.682 56.483 55.803 -0.003 0.000 0.847 51 Q CB 0.078 28.814 28.738 -0.004 0.000 0.915 51 Q HN 0.225 nan 8.270 nan 0.000 0.448 52 R N 0.505 121.001 120.500 -0.006 0.000 2.083 52 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 52 R C 2.320 178.614 176.300 -0.009 0.000 1.137 52 R CA 1.282 57.377 56.100 -0.008 0.000 0.951 52 R CB -0.473 29.825 30.300 -0.004 0.000 0.851 52 R HN 0.203 nan 8.270 nan 0.000 0.434 53 A N 1.473 124.292 122.820 -0.001 0.000 1.841 53 A HA -0.206 4.113 4.320 -0.000 0.000 0.216 53 A C 2.438 180.017 177.584 -0.008 0.000 1.199 53 A CA 1.974 54.012 52.037 0.002 0.000 0.621 53 A CB -1.108 17.896 19.000 0.006 0.000 0.835 53 A HN 0.419 nan 8.150 nan 0.000 0.445 54 A N -1.127 121.690 122.820 -0.004 0.000 1.915 54 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 54 A C 2.244 179.814 177.584 -0.023 0.000 1.198 54 A CA 2.915 54.947 52.037 -0.008 0.000 0.647 54 A CB -0.627 18.371 19.000 -0.003 0.000 0.825 54 A HN 0.678 nan 8.150 nan 0.000 0.456 55 M N -0.955 118.630 119.600 -0.026 0.000 2.067 55 M HA -0.101 4.379 4.480 -0.000 0.000 0.260 55 M C 1.936 178.203 176.300 -0.054 0.000 1.069 55 M CA 2.116 57.396 55.300 -0.034 0.000 1.117 55 M CB -0.567 32.015 32.600 -0.030 0.000 1.334 55 M HN 0.394 nan 8.290 nan 0.000 0.407 56 L N -0.092 121.091 121.223 -0.068 0.000 2.056 56 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 56 L C 2.101 178.857 176.870 -0.189 0.000 1.078 56 L CA 1.768 56.538 54.840 -0.116 0.000 0.749 56 L CB -0.713 41.280 42.059 -0.110 0.000 0.901 56 L HN 0.455 nan 8.230 nan 0.000 0.433 57 I N -0.231 120.241 120.570 -0.163 0.000 2.163 57 I HA -0.351 3.818 4.170 -0.000 0.000 0.243 57 I C 2.579 178.626 176.117 -0.118 0.000 1.085 57 I CA 1.709 62.905 61.300 -0.173 0.000 1.347 57 I CB -0.455 37.512 38.000 -0.056 0.000 1.044 57 I HN 0.319 nan 8.210 nan 0.000 0.408 58 K N 0.953 121.310 120.400 -0.072 0.000 2.107 58 K HA -0.256 4.064 4.320 -0.000 0.000 0.211 58 K C 2.122 178.686 176.600 -0.060 0.000 1.049 58 K CA 1.995 58.253 56.287 -0.050 0.000 0.927 58 K CB -0.085 32.393 32.500 -0.037 0.000 0.714 58 K HN 0.287 nan 8.250 nan 0.000 0.452 59 M N -0.383 119.166 119.600 -0.084 0.000 2.156 59 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 59 M C 2.156 178.405 176.300 -0.085 0.000 1.067 59 M CA 1.324 56.578 55.300 -0.075 0.000 1.131 59 M CB -0.231 32.323 32.600 -0.078 0.000 1.368 59 M HN 0.085 nan 8.290 nan 0.000 0.416 60 I N 0.740 121.222 120.570 -0.147 0.000 2.439 60 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 60 I C 2.230 178.306 176.117 -0.068 0.000 1.139 60 I CA 0.945 62.152 61.300 -0.155 0.000 1.438 60 I CB -0.269 37.518 38.000 -0.354 0.000 1.085 60 I HN 0.240 nan 8.210 nan 0.000 0.427 61 L N 0.515 121.709 121.223 -0.049 0.000 2.189 61 L HA -0.254 4.085 4.340 -0.000 0.000 0.214 61 L C 2.094 178.966 176.870 0.003 0.000 1.097 61 L CA 1.565 56.405 54.840 0.001 0.000 0.764 61 L CB -0.438 41.621 42.059 -0.000 0.000 0.900 61 L HN 0.194 nan 8.230 nan 0.000 0.436 62 K N -0.714 119.680 120.400 -0.010 0.000 2.426 62 K HA 0.048 4.367 4.320 -0.000 0.000 0.193 62 K C 0.502 177.104 176.600 0.004 0.000 1.028 62 K CA 0.261 56.545 56.287 -0.003 0.000 1.047 62 K CB 0.245 32.740 32.500 -0.007 0.000 0.821 62 K HN 0.272 nan 8.250 nan 0.000 0.513 63 K N 1.278 121.680 120.400 0.003 0.000 2.399 63 K HA 0.074 4.394 4.320 -0.000 0.000 0.247 63 K C -0.003 176.603 176.600 0.010 0.000 1.036 63 K CA -0.708 55.587 56.287 0.014 0.000 0.977 63 K CB 0.381 32.887 32.500 0.010 0.000 1.272 63 K HN 0.043 nan 8.250 nan 0.000 0.501 64 D N -0.254 120.149 120.400 0.005 0.000 2.451 64 D HA 0.020 4.660 4.640 -0.000 0.000 0.259 64 D C 0.297 176.573 176.300 -0.040 0.000 1.201 64 D CA -0.408 53.587 54.000 -0.008 0.000 1.028 64 D CB 0.439 41.251 40.800 0.019 0.000 1.095 64 D HN 0.266 nan 8.370 nan 0.000 0.539 65 N N 0.175 118.849 118.700 -0.042 0.000 2.104 65 N HA -0.141 4.598 4.740 -0.000 0.000 0.190 65 N C 1.120 176.591 175.510 -0.065 0.000 1.024 65 N CA 1.066 54.083 53.050 -0.055 0.000 0.853 65 N CB -0.281 38.166 38.487 -0.066 0.000 1.008 65 N HN 0.466 nan 8.380 nan 0.000 0.424 66 D N 0.166 120.487 120.400 -0.131 0.000 2.178 66 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 66 D C 1.685 177.637 176.300 -0.580 0.000 0.974 66 D CA 0.731 54.587 54.000 -0.240 0.000 0.841 66 D CB -0.100 40.624 40.800 -0.126 0.000 0.953 66 D HN 0.193 nan 8.370 nan 0.000 0.478 67 S N 0.283 115.556 115.700 -0.711 0.000 2.383 67 S HA -0.164 4.306 4.470 -0.000 0.000 0.227 67 S C 1.815 176.326 174.600 -0.149 0.000 1.026 67 S CA 0.351 58.143 58.200 -0.680 0.000 0.981 67 S CB -0.472 62.494 63.200 -0.390 0.000 0.818 67 S HN 0.330 nan 8.310 nan 0.000 0.472 68 Y N 2.832 123.056 120.300 -0.127 0.000 2.081 68 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 68 Y C 2.278 178.238 175.900 0.100 0.000 1.163 68 Y CA 1.544 59.664 58.100 0.034 0.000 1.135 68 Y CB -0.637 37.821 38.460 -0.004 0.000 0.970 68 Y HN 0.042 nan 8.280 nan 0.000 0.498 69 V N -0.824 119.238 119.914 0.245 0.000 2.407 69 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 69 V C 2.618 178.825 176.094 0.188 0.000 1.055 69 V CA 1.925 64.353 62.300 0.214 0.000 1.049 69 V CB -1.123 30.780 31.823 0.134 0.000 0.662 69 V HN 0.523 nan 8.190 nan 0.000 0.455 70 S N -0.259 115.488 115.700 0.078 0.000 2.365 70 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 70 S C 1.948 176.673 174.600 0.207 0.000 1.039 70 S CA 2.123 60.404 58.200 0.135 0.000 1.033 70 S CB -0.464 62.785 63.200 0.080 0.000 0.887 70 S HN 0.560 nan 8.310 nan 0.000 0.447 71 F N 1.419 121.365 119.950 -0.006 0.000 2.102 71 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 71 F C 2.035 177.830 175.800 -0.008 0.000 1.105 71 F CA 1.663 59.650 58.000 -0.022 0.000 1.239 71 F CB -1.384 37.555 39.000 -0.101 0.000 0.991 71 F HN 0.436 nan 8.300 nan 0.000 0.474 72 Y N 1.462 121.611 120.300 -0.251 0.000 2.114 72 Y HA -0.319 4.230 4.550 -0.000 0.000 0.282 72 Y C 2.349 178.175 175.900 -0.122 0.000 1.165 72 Y CA 2.444 60.378 58.100 -0.276 0.000 1.148 72 Y CB -0.902 37.470 38.460 -0.147 0.000 0.972 72 Y HN 0.088 nan 8.280 nan 0.000 0.504 73 N N 0.298 118.957 118.700 -0.069 0.000 2.216 73 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 73 N C 1.986 177.455 175.510 -0.068 0.000 1.017 73 N CA 1.219 54.212 53.050 -0.095 0.000 0.861 73 N CB -0.555 37.976 38.487 0.074 0.000 0.986 73 N HN 0.539 nan 8.380 nan 0.000 0.428 74 A N 1.503 124.331 122.820 0.013 0.000 1.902 74 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 74 A C 2.380 180.041 177.584 0.128 0.000 1.181 74 A CA 0.917 53.044 52.037 0.149 0.000 0.623 74 A CB -0.755 18.405 19.000 0.268 0.000 0.818 74 A HN 0.202 nan 8.150 nan 0.000 0.443 75 L N -0.668 120.503 121.223 -0.087 0.000 2.042 75 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 75 L C 2.610 179.479 176.870 -0.002 0.000 1.076 75 L CA 1.090 55.900 54.840 -0.051 0.000 0.749 75 L CB -0.583 41.273 42.059 -0.338 0.000 0.893 75 L HN 0.383 nan 8.230 nan 0.000 0.432 76 L N -1.177 119.937 121.223 -0.181 0.000 2.005 76 L HA -0.253 4.087 4.340 -0.000 0.000 0.207 76 L C 2.805 179.627 176.870 -0.081 0.000 1.072 76 L CA 1.257 55.989 54.840 -0.179 0.000 0.744 76 L CB -0.960 40.923 42.059 -0.292 0.000 0.895 76 L HN 0.384 nan 8.230 nan 0.000 0.433 77 H N 0.644 119.616 119.070 -0.165 0.000 2.394 77 H HA -0.202 4.354 4.556 -0.000 0.000 0.297 77 H C 1.659 176.922 175.328 -0.109 0.000 1.113 77 H CA 1.653 57.591 56.048 -0.182 0.000 1.277 77 H CB 0.311 29.870 29.762 -0.338 0.000 1.370 77 H HN 0.305 nan 8.280 nan 0.000 0.506 78 E N -0.876 119.447 120.200 0.204 0.000 2.474 78 E HA 0.119 4.469 4.350 -0.000 0.000 0.195 78 E C 1.330 177.822 176.600 -0.179 0.000 1.039 78 E CA 0.669 57.139 56.400 0.118 0.000 0.881 78 E CB 0.357 30.239 29.700 0.303 0.000 0.970 78 E HN 0.704 nan 8.360 nan 0.000 0.486 79 G N 1.002 109.692 108.800 -0.184 0.000 2.163 79 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.213 79 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.213 79 G C -0.175 174.552 174.900 -0.288 0.000 0.991 79 G CA -0.301 44.639 45.100 -0.267 0.000 0.653 79 G HN 0.211 nan 8.290 nan 0.000 0.518 80 Y N 1.233 121.502 120.300 -0.053 0.000 2.667 80 Y HA 0.374 4.924 4.550 -0.000 0.000 0.340 80 Y C 1.783 177.629 175.900 -0.089 0.000 1.303 80 Y CA 0.301 58.367 58.100 -0.057 0.000 1.769 80 Y CB 0.521 38.943 38.460 -0.063 0.000 1.804 80 Y HN 0.297 nan 8.280 nan 0.000 0.451 81 K N 0.751 121.160 120.400 0.014 0.000 2.063 81 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 81 K C 0.770 177.371 176.600 0.002 0.000 1.048 81 K CA 2.148 58.423 56.287 -0.021 0.000 0.928 81 K CB 0.182 32.661 32.500 -0.036 0.000 0.713 81 K HN 0.516 nan 8.250 nan 0.000 0.442 82 D N 0.265 120.679 120.400 0.023 0.000 2.271 82 D HA -0.041 4.599 4.640 -0.000 0.000 0.206 82 D C 2.032 178.330 176.300 -0.004 0.000 0.967 82 D CA 0.533 54.540 54.000 0.012 0.000 0.867 82 D CB 0.170 40.980 40.800 0.017 0.000 0.960 82 D HN 0.253 nan 8.370 nan 0.000 0.509 83 L N 1.104 122.334 121.223 0.011 0.000 2.093 83 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 83 L C 2.608 179.445 176.870 -0.054 0.000 1.085 83 L CA 0.841 55.658 54.840 -0.039 0.000 0.755 83 L CB -0.361 41.667 42.059 -0.051 0.000 0.904 83 L HN -0.039 nan 8.230 nan 0.000 0.435 84 A N 0.102 122.901 122.820 -0.036 0.000 1.969 84 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 84 A C 2.544 180.253 177.584 0.209 0.000 1.169 84 A CA 1.379 53.422 52.037 0.011 0.000 0.635 84 A CB -0.509 18.360 19.000 -0.219 0.000 0.810 84 A HN 0.369 nan 8.150 nan 0.000 0.445 85 A N 0.055 122.936 122.820 0.103 0.000 1.940 85 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 85 A C 2.056 179.684 177.584 0.074 0.000 1.176 85 A CA 1.481 53.579 52.037 0.100 0.000 0.631 85 A CB -0.563 18.449 19.000 0.020 0.000 0.814 85 A HN 0.481 nan 8.150 nan 0.000 0.446 86 L N -0.958 120.232 121.223 -0.054 0.000 2.291 86 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 86 L C 2.203 179.028 176.870 -0.074 0.000 1.120 86 L CA 0.636 55.309 54.840 -0.279 0.000 0.799 86 L CB -0.419 41.229 42.059 -0.686 0.000 0.925 86 L HN 0.377 nan 8.230 nan 0.000 0.446 87 L N -1.517 119.768 121.223 0.103 0.000 2.354 87 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 87 L C 2.427 179.445 176.870 0.246 0.000 1.091 87 L CA 0.316 55.293 54.840 0.228 0.000 0.828 87 L CB -0.442 41.693 42.059 0.126 0.000 0.973 87 L HN 0.257 nan 8.230 nan 0.000 0.461 88 H N 0.722 119.865 119.070 0.122 0.000 2.394 88 H HA -0.303 4.253 4.556 -0.000 0.000 0.297 88 H C 1.904 177.216 175.328 -0.026 0.000 1.113 88 H CA 2.346 58.363 56.048 -0.051 0.000 1.277 88 H CB 0.054 29.865 29.762 0.082 0.000 1.370 88 H HN 0.320 nan 8.280 nan 0.000 0.506 89 D N -0.701 119.784 120.400 0.141 0.000 2.133 89 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 89 D C 2.189 178.481 176.300 -0.013 0.000 0.997 89 D CA 1.701 55.754 54.000 0.088 0.000 0.840 89 D CB -0.737 40.156 40.800 0.154 0.000 0.947 89 D HN 0.532 nan 8.370 nan 0.000 0.452 90 G N -0.785 108.028 108.800 0.022 0.000 3.088 90 G HA2 0.156 4.116 3.960 -0.000 0.000 0.217 90 G HA3 0.156 4.116 3.960 -0.000 0.000 0.217 90 G C 0.576 175.240 174.900 -0.393 0.000 1.159 90 G CA -0.420 44.612 45.100 -0.113 0.000 0.760 90 G HN 0.265 nan 8.290 nan 0.000 0.550 91 I N 2.260 122.664 120.570 -0.277 0.000 2.741 91 I HA 0.069 4.238 4.170 -0.000 0.000 0.288 91 I C -1.865 174.056 176.117 -0.325 0.000 1.192 91 I CA -1.320 59.787 61.300 -0.322 0.000 1.426 91 I CB 1.017 38.787 38.000 -0.383 0.000 1.367 91 I HN -0.031 nan 8.210 nan 0.000 0.563 92 P HA 0.034 nan 4.420 nan 0.000 0.271 92 P C 0.908 178.117 177.300 -0.151 0.000 1.220 92 P CA -0.230 62.736 63.100 -0.223 0.000 0.768 92 P CB 0.830 32.408 31.700 -0.204 0.000 0.848 93 V N 3.756 123.597 119.914 -0.123 0.000 2.332 93 V HA -0.221 3.898 4.120 -0.000 0.000 0.248 93 V C 2.237 178.292 176.094 -0.065 0.000 1.055 93 V CA 1.893 64.139 62.300 -0.090 0.000 1.038 93 V CB -0.819 30.962 31.823 -0.070 0.000 0.651 93 V HN 0.380 nan 8.190 nan 0.000 0.450 94 V N -0.061 119.818 119.914 -0.059 0.000 2.867 94 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 94 V C 1.812 177.888 176.094 -0.029 0.000 1.099 94 V CA 1.965 64.242 62.300 -0.039 0.000 1.122 94 V CB -0.472 31.331 31.823 -0.034 0.000 0.708 94 V HN 0.589 nan 8.190 nan 0.000 0.490 95 S N -1.331 114.344 115.700 -0.042 0.000 2.593 95 S HA 0.128 4.597 4.470 -0.000 0.000 0.236 95 S C 1.819 176.409 174.600 -0.016 0.000 0.991 95 S CA 0.131 58.318 58.200 -0.022 0.000 0.963 95 S CB 0.629 63.810 63.200 -0.032 0.000 0.865 95 S HN 0.451 nan 8.310 nan 0.000 0.488 96 S N 1.770 117.451 115.700 -0.032 0.000 2.382 96 S HA 0.043 4.513 4.470 -0.000 0.000 0.228 96 S C 0.976 175.576 174.600 0.001 0.000 1.027 96 S CA 0.767 58.943 58.200 -0.039 0.000 0.991 96 S CB 0.066 63.236 63.200 -0.050 0.000 0.823 96 S HN 0.448 nan 8.310 nan 0.000 0.469 97 S N 1.156 116.863 115.700 0.012 0.000 2.779 97 S HA 0.466 4.935 4.470 -0.000 0.000 0.293 97 S C -0.251 174.372 174.600 0.037 0.000 1.150 97 S CA -0.885 57.333 58.200 0.030 0.000 1.057 97 S CB 1.011 64.219 63.200 0.012 0.000 1.021 97 S HN 0.421 nan 8.310 nan 0.000 0.485 98 S N 3.499 119.235 115.700 0.060 0.000 2.600 98 S HA 0.381 4.851 4.470 -0.000 0.000 0.265 98 S C 1.623 176.260 174.600 0.061 0.000 1.325 98 S CA -0.007 58.236 58.200 0.073 0.000 1.002 98 S CB 0.526 63.793 63.200 0.112 0.000 0.921 98 S HN 0.929 nan 8.310 nan 0.000 0.554 99 G N 0.410 109.248 108.800 0.062 0.000 2.479 99 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.220 99 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.220 99 G C 1.283 176.213 174.900 0.049 0.000 1.115 99 G CA 0.943 46.072 45.100 0.049 0.000 0.757 99 G HN 0.774 nan 8.290 nan 0.000 0.560 100 K N 0.152 120.590 120.400 0.062 0.000 2.001 100 K HA -0.056 4.263 4.320 -0.000 0.000 0.208 100 K C 2.113 178.743 176.600 0.049 0.000 1.048 100 K CA 1.489 57.811 56.287 0.058 0.000 0.932 100 K CB -0.069 32.475 32.500 0.072 0.000 0.715 100 K HN 0.111 nan 8.250 nan 0.000 0.437 101 D N -0.026 120.405 120.400 0.051 0.000 2.123 101 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 101 D C 1.951 178.265 176.300 0.023 0.000 0.992 101 D CA 1.654 55.677 54.000 0.039 0.000 0.833 101 D CB -0.325 40.500 40.800 0.042 0.000 0.954 101 D HN 0.302 nan 8.370 nan 0.000 0.455 102 S N -0.104 115.608 115.700 0.021 0.000 2.369 102 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 102 S C 2.021 176.630 174.600 0.015 0.000 1.043 102 S CA 1.827 60.034 58.200 0.011 0.000 1.074 102 S CB -0.812 62.397 63.200 0.015 0.000 0.962 102 S HN 0.169 nan 8.310 nan 0.000 0.433 103 V N 2.215 122.144 119.914 0.024 0.000 3.590 103 V HA 0.089 4.209 4.120 -0.000 0.000 0.265 103 V C 2.794 178.909 176.094 0.035 0.000 1.239 103 V CA 0.898 63.214 62.300 0.028 0.000 1.117 103 V CB -0.324 31.516 31.823 0.028 0.000 0.818 103 V HN 0.771 nan 8.190 nan 0.000 0.451 104 S N 1.034 116.756 115.700 0.037 0.000 2.371 104 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 104 S C 1.900 176.526 174.600 0.044 0.000 1.029 104 S CA 1.206 59.431 58.200 0.042 0.000 0.978 104 S CB -0.180 63.043 63.200 0.038 0.000 0.833 104 S HN 1.254 nan 8.310 nan 0.000 0.466 105 G N 1.012 109.837 108.800 0.042 0.000 2.143 105 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.249 105 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.249 105 G C -0.019 174.929 174.900 0.081 0.000 0.981 105 G CA 0.252 45.388 45.100 0.061 0.000 0.665 105 G HN 0.629 nan 8.290 nan 0.000 0.528 106 I N 2.689 123.291 120.570 0.054 0.000 2.307 106 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 106 I C 1.044 177.199 176.117 0.065 0.000 1.054 106 I CA -0.065 61.266 61.300 0.051 0.000 1.218 106 I CB 0.968 38.970 38.000 0.004 0.000 1.398 106 I HN 0.270 nan 8.210 nan 0.000 0.475 107 T N 0.431 115.055 114.554 0.118 0.000 2.910 107 T HA 0.309 4.659 4.350 -0.000 0.000 0.279 107 T C 1.134 175.925 174.700 0.152 0.000 0.989 107 T CA -0.646 61.533 62.100 0.132 0.000 0.968 107 T CB 1.602 70.556 68.868 0.144 0.000 1.135 107 T HN 0.353 nan 8.240 nan 0.000 0.562 108 S N -0.443 115.369 115.700 0.186 0.000 2.368 108 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 108 S C 1.533 176.227 174.600 0.157 0.000 1.030 108 S CA 1.247 59.548 58.200 0.170 0.000 0.999 108 S CB -0.959 62.422 63.200 0.302 0.000 0.844 108 S HN 0.691 nan 8.310 nan 0.000 0.459 109 Y N 2.594 122.976 120.300 0.135 0.000 2.069 109 Y HA -0.267 4.283 4.550 -0.000 0.000 0.278 109 Y C 2.266 178.196 175.900 0.051 0.000 1.175 109 Y CA 1.610 59.780 58.100 0.116 0.000 1.134 109 Y CB -0.797 37.802 38.460 0.233 0.000 0.965 109 Y HN 0.033 nan 8.280 nan 0.000 0.498 110 V N 0.795 120.767 119.914 0.095 0.000 2.295 110 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 110 V C 2.472 178.472 176.094 -0.156 0.000 1.049 110 V CA 2.359 64.621 62.300 -0.062 0.000 1.024 110 V CB -0.638 31.226 31.823 0.067 0.000 0.648 110 V HN 0.371 nan 8.190 nan 0.000 0.447 111 R N -0.338 120.094 120.500 -0.113 0.000 2.091 111 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 111 R C 2.398 178.579 176.300 -0.200 0.000 1.136 111 R CA 2.030 58.027 56.100 -0.172 0.000 0.959 111 R CB -0.722 29.497 30.300 -0.135 0.000 0.856 111 R HN 0.546 nan 8.270 nan 0.000 0.437 112 T N 0.631 115.076 114.554 -0.181 0.000 2.701 112 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 112 T C 2.040 176.598 174.700 -0.236 0.000 1.040 112 T CA 1.315 63.303 62.100 -0.187 0.000 1.147 112 T CB -0.308 68.474 68.868 -0.143 0.000 0.865 112 T HN -0.026 nan 8.240 nan 0.000 0.426 113 V N 1.848 121.562 119.914 -0.334 0.000 2.282 113 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 113 V C 2.552 178.474 176.094 -0.287 0.000 1.057 113 V CA 1.641 63.728 62.300 -0.355 0.000 1.032 113 V CB -0.736 30.776 31.823 -0.518 0.000 0.645 113 V HN 0.442 nan 8.190 nan 0.000 0.447 114 L N -1.144 119.919 121.223 -0.267 0.000 2.056 114 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 114 L C 2.695 179.414 176.870 -0.251 0.000 1.078 114 L CA 1.738 56.429 54.840 -0.248 0.000 0.749 114 L CB -0.800 41.109 42.059 -0.250 0.000 0.901 114 L HN 0.469 nan 8.230 nan 0.000 0.433 115 C N 0.559 119.710 119.300 -0.248 0.000 2.432 115 C HA -0.159 4.300 4.460 -0.000 0.000 0.277 115 C C 2.647 177.525 174.990 -0.187 0.000 1.249 115 C CA 0.960 59.840 59.018 -0.229 0.000 1.725 115 C CB -0.565 27.043 27.740 -0.220 0.000 2.028 115 C HN 0.501 nan 8.230 nan 0.000 0.477 116 E N -0.232 119.862 120.200 -0.177 0.000 2.086 116 E HA -0.191 4.159 4.350 -0.000 0.000 0.200 116 E C 2.117 178.618 176.600 -0.165 0.000 1.012 116 E CA 1.585 57.899 56.400 -0.144 0.000 0.812 116 E CB -0.438 29.177 29.700 -0.142 0.000 0.743 116 E HN 0.772 nan 8.360 nan 0.000 0.453 117 G N -0.813 107.832 108.800 -0.258 0.000 2.744 117 G HA2 0.049 4.008 3.960 -0.000 0.000 0.211 117 G HA3 0.049 4.008 3.960 -0.000 0.000 0.211 117 G C 0.989 175.836 174.900 -0.087 0.000 1.143 117 G CA 0.349 45.275 45.100 -0.290 0.000 0.788 117 G HN 0.452 nan 8.290 nan 0.000 0.534 118 G N -0.891 107.836 108.800 -0.122 0.000 2.176 118 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 118 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 118 G C 0.183 174.919 174.900 -0.274 0.000 1.024 118 G CA 0.075 45.093 45.100 -0.137 0.000 0.755 118 G HN 0.694 nan 8.290 nan 0.000 0.507 119 V N 1.302 121.023 119.914 -0.322 0.000 2.508 119 V HA 0.312 4.432 4.120 -0.000 0.000 0.281 119 V C -1.096 174.591 176.094 -0.678 0.000 1.041 119 V CA -1.191 60.767 62.300 -0.570 0.000 1.016 119 V CB 1.098 32.734 31.823 -0.312 0.000 0.984 119 V HN 0.196 nan 8.190 nan 0.000 0.478 120 P HA 0.102 nan 4.420 nan 0.000 0.266 120 P C -0.310 176.744 177.300 -0.411 0.000 1.195 120 P CA -0.113 62.635 63.100 -0.586 0.000 0.768 120 P CB 0.400 31.761 31.700 -0.565 0.000 0.838 121 Q N 1.621 121.238 119.800 -0.305 0.000 2.524 121 Q HA 0.112 4.451 4.340 -0.000 0.000 0.246 121 Q C 0.470 176.371 176.000 -0.165 0.000 1.063 121 Q CA 0.363 56.008 55.803 -0.263 0.000 0.945 121 Q CB 0.246 28.885 28.738 -0.165 0.000 1.292 121 Q HN 0.274 nan 8.270 nan 0.000 0.518 122 R N 1.701 122.106 120.500 -0.159 0.000 2.756 122 R HA 0.049 4.389 4.340 -0.000 0.000 0.264 122 R C -1.949 174.383 176.300 0.054 0.000 1.026 122 R CA -1.046 54.992 56.100 -0.104 0.000 1.121 122 R CB -0.400 29.758 30.300 -0.236 0.000 0.999 122 R HN 0.487 nan 8.270 nan 0.000 0.449 123 P HA -0.105 nan 4.420 nan 0.000 0.269 123 P C 1.013 178.414 177.300 0.168 0.000 1.217 123 P CA -0.054 63.174 63.100 0.213 0.000 0.783 123 P CB 0.349 32.212 31.700 0.271 0.000 0.898 124 V N 0.357 120.360 119.914 0.147 0.000 2.277 124 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 124 V C 0.838 176.918 176.094 -0.024 0.000 1.067 124 V CA 1.620 63.970 62.300 0.083 0.000 1.047 124 V CB -1.110 30.770 31.823 0.095 0.000 0.649 124 V HN 0.257 nan 8.190 nan 0.000 0.447 125 V N 0.643 120.503 119.914 -0.091 0.000 2.604 125 V HA 0.657 4.777 4.120 -0.000 0.000 0.305 125 V C -0.790 175.332 176.094 0.047 0.000 1.043 125 V CA -0.491 61.681 62.300 -0.214 0.000 0.888 125 V CB 1.671 32.999 31.823 -0.824 0.000 0.995 125 V HN 0.476 nan 8.190 nan 0.000 0.429 126 F N 6.117 126.024 119.950 -0.071 0.000 2.539 126 F HA 0.784 5.311 4.527 -0.000 0.000 0.318 126 F C -0.563 175.233 175.800 -0.007 0.000 1.135 126 F CA -0.712 57.282 58.000 -0.010 0.000 0.915 126 F CB 1.870 40.873 39.000 0.005 0.000 1.176 126 F HN 0.388 nan 8.300 nan 0.000 0.440 127 V N 2.286 121.673 119.914 -0.878 0.000 2.628 127 V HA 0.712 4.832 4.120 -0.000 0.000 0.306 127 V C -0.011 175.456 176.094 -1.046 0.000 1.045 127 V CA -0.341 61.535 62.300 -0.707 0.000 0.905 127 V CB 1.058 32.704 31.823 -0.295 0.000 0.997 127 V HN 0.962 nan 8.190 nan 0.000 0.436 128 T N 1.751 115.984 114.554 -0.536 0.000 2.926 128 T HA 0.464 4.814 4.350 -0.000 0.000 0.307 128 T C 0.164 174.765 174.700 -0.164 0.000 1.059 128 T CA -0.389 61.566 62.100 -0.242 0.000 1.122 128 T CB 0.452 69.316 68.868 -0.007 0.000 0.972 128 T HN 0.884 nan 8.240 nan 0.000 0.545 129 R N 1.495 121.958 120.500 -0.061 0.000 2.653 129 R HA 0.237 4.577 4.340 -0.000 0.000 0.269 129 R C 1.194 177.503 176.300 0.015 0.000 1.603 129 R CA -0.510 55.572 56.100 -0.030 0.000 1.671 129 R CB 0.617 30.901 30.300 -0.028 0.000 1.300 129 R HN 0.727 nan 8.270 nan 0.000 0.668 130 K N 1.667 122.078 120.400 0.018 0.000 2.057 130 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 130 K C 1.719 178.336 176.600 0.028 0.000 1.049 130 K CA 1.502 57.809 56.287 0.034 0.000 0.931 130 K CB 0.285 32.803 32.500 0.029 0.000 0.714 130 K HN 0.119 nan 8.250 nan 0.000 0.440 131 K N 0.656 121.066 120.400 0.017 0.000 2.057 131 K HA -0.122 4.197 4.320 -0.000 0.000 0.207 131 K C 2.152 178.761 176.600 0.015 0.000 1.049 131 K CA 1.160 57.456 56.287 0.014 0.000 0.931 131 K CB -0.029 32.475 32.500 0.008 0.000 0.714 131 K HN 0.120 nan 8.250 nan 0.000 0.440 132 L N 0.300 121.532 121.223 0.014 0.000 2.072 132 L HA -0.144 4.195 4.340 -0.000 0.000 0.205 132 L C 2.328 179.215 176.870 0.029 0.000 1.079 132 L CA 0.620 55.469 54.840 0.014 0.000 0.752 132 L CB -0.240 41.824 42.059 0.007 0.000 0.906 132 L HN 0.015 nan 8.230 nan 0.000 0.436 133 V N 0.140 120.079 119.914 0.042 0.000 2.343 133 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 133 V C 2.053 178.175 176.094 0.047 0.000 1.051 133 V CA 2.106 64.441 62.300 0.057 0.000 1.036 133 V CB -0.782 31.091 31.823 0.083 0.000 0.654 133 V HN 0.512 nan 8.190 nan 0.000 0.451 134 N N 0.362 119.085 118.700 0.039 0.000 2.104 134 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 134 N C 1.946 177.469 175.510 0.021 0.000 1.024 134 N CA 1.239 54.307 53.050 0.030 0.000 0.853 134 N CB -0.256 38.246 38.487 0.025 0.000 1.008 134 N HN 0.500 nan 8.380 nan 0.000 0.424 135 A N 1.374 124.206 122.820 0.020 0.000 1.933 135 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 135 A C 2.115 179.710 177.584 0.018 0.000 1.175 135 A CA 1.002 53.049 52.037 0.016 0.000 0.628 135 A CB -0.541 18.470 19.000 0.017 0.000 0.814 135 A HN 0.192 nan 8.150 nan 0.000 0.444 136 I N -0.770 119.816 120.570 0.028 0.000 2.252 136 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 136 I C 2.763 178.900 176.117 0.034 0.000 1.102 136 I CA 1.441 62.762 61.300 0.035 0.000 1.385 136 I CB -0.424 37.602 38.000 0.043 0.000 1.064 136 I HN 0.416 nan 8.210 nan 0.000 0.414 137 Q N 0.122 119.944 119.800 0.037 0.000 2.119 137 Q HA -0.215 4.125 4.340 -0.000 0.000 0.201 137 Q C 2.308 178.312 176.000 0.006 0.000 0.972 137 Q CA 1.083 56.911 55.803 0.042 0.000 0.847 137 Q CB -0.065 28.700 28.738 0.045 0.000 0.903 137 Q HN 0.455 nan 8.270 nan 0.000 0.433 138 Q N 0.565 120.357 119.800 -0.013 0.000 2.084 138 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 138 Q C 1.939 177.873 176.000 -0.110 0.000 0.978 138 Q CA 1.132 56.906 55.803 -0.048 0.000 0.844 138 Q CB -0.028 28.689 28.738 -0.034 0.000 0.898 138 Q HN 0.201 nan 8.270 nan 0.000 0.426 139 K N 0.736 121.069 120.400 -0.110 0.000 2.025 139 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 139 K C 2.325 178.787 176.600 -0.230 0.000 1.049 139 K CA 0.700 56.842 56.287 -0.242 0.000 0.933 139 K CB -0.716 31.737 32.500 -0.079 0.000 0.714 139 K HN 0.220 nan 8.250 nan 0.000 0.438 140 L N 1.760 122.958 121.223 -0.042 0.000 2.127 140 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 140 L C 2.423 179.285 176.870 -0.013 0.000 1.089 140 L CA 1.582 56.470 54.840 0.081 0.000 0.757 140 L CB -0.638 41.565 42.059 0.240 0.000 0.899 140 L HN 0.225 nan 8.230 nan 0.000 0.434 141 S N -0.883 114.764 115.700 -0.087 0.000 2.515 141 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 141 S C 1.779 176.284 174.600 -0.157 0.000 0.987 141 S CA 0.514 58.633 58.200 -0.136 0.000 0.936 141 S CB -0.167 62.971 63.200 -0.104 0.000 0.766 141 S HN 0.380 nan 8.310 nan 0.000 0.528 142 K N 0.632 120.896 120.400 -0.227 0.000 2.418 142 K HA 0.294 4.614 4.320 -0.000 0.000 0.195 142 K C 1.621 178.145 176.600 -0.127 0.000 1.035 142 K CA 0.360 56.496 56.287 -0.251 0.000 1.003 142 K CB -0.230 31.938 32.500 -0.553 0.000 0.793 142 K HN 0.385 nan 8.250 nan 0.000 0.494 143 L N 0.898 122.073 121.223 -0.080 0.000 2.141 143 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 143 L C 0.439 177.311 176.870 0.003 0.000 1.094 143 L CA 0.677 55.542 54.840 0.041 0.000 0.763 143 L CB -0.286 41.828 42.059 0.092 0.000 0.908 143 L HN 0.144 nan 8.230 nan 0.000 0.437 144 K N 0.258 120.620 120.400 -0.064 0.000 3.077 144 K HA -0.228 4.091 4.320 -0.000 0.000 0.264 144 K C 0.976 177.545 176.600 -0.051 0.000 1.008 144 K CA 0.682 56.928 56.287 -0.069 0.000 0.740 144 K CB -2.227 30.252 32.500 -0.035 0.000 1.273 144 K HN 0.659 nan 8.250 nan 0.000 0.477 145 G N -0.412 108.351 108.800 -0.062 0.000 2.168 145 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 145 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 145 G C -0.062 174.837 174.900 -0.001 0.000 0.977 145 G CA 0.924 46.007 45.100 -0.029 0.000 0.659 145 G HN 0.403 nan 8.290 nan 0.000 0.533 146 E N 0.292 120.496 120.200 0.006 0.000 2.221 146 E HA 0.491 4.841 4.350 -0.000 0.000 0.268 146 E C -2.459 174.140 176.600 -0.001 0.000 0.933 146 E CA -2.136 54.268 56.400 0.007 0.000 0.809 146 E CB 1.382 31.093 29.700 0.017 0.000 1.190 146 E HN 0.050 nan 8.360 nan 0.000 0.406 147 P HA 0.252 nan 4.420 nan 0.000 0.268 147 P C -0.281 176.954 177.300 -0.108 0.000 1.208 147 P CA 0.230 63.269 63.100 -0.102 0.000 0.777 147 P CB 0.521 32.161 31.700 -0.101 0.000 0.875 148 G N 0.311 108.945 108.800 -0.277 0.000 2.316 148 G HA2 0.389 4.348 3.960 -0.000 0.000 0.296 148 G HA3 0.389 4.348 3.960 -0.000 0.000 0.296 148 G C -2.498 172.164 174.900 -0.396 0.000 1.399 148 G CA -0.884 44.090 45.100 -0.210 0.000 0.833 148 G HN 0.303 nan 8.290 nan 0.000 0.565 149 W N -0.251 121.089 121.300 0.066 0.000 2.702 149 W HA 0.647 5.306 4.660 -0.000 0.000 0.331 149 W C -0.411 176.179 176.519 0.119 0.000 1.049 149 W CA -0.958 56.412 57.345 0.043 0.000 1.230 149 W CB 2.551 32.001 29.460 -0.017 0.000 1.408 149 W HN 0.322 nan 8.180 nan 0.000 0.492 150 V N 2.792 122.891 119.914 0.307 0.000 2.443 150 V HA 0.496 4.616 4.120 -0.000 0.000 0.293 150 V C -0.416 175.778 176.094 0.166 0.000 1.021 150 V CA -0.735 61.717 62.300 0.254 0.000 0.848 150 V CB 1.583 33.518 31.823 0.187 0.000 0.998 150 V HN 0.549 nan 8.190 nan 0.000 0.424 151 T N 6.404 121.048 114.554 0.149 0.000 2.758 151 T HA 0.632 4.982 4.350 -0.000 0.000 0.285 151 T C -0.190 174.569 174.700 0.098 0.000 0.981 151 T CA -0.132 62.023 62.100 0.092 0.000 0.965 151 T CB 0.999 69.899 68.868 0.054 0.000 0.927 151 T HN 0.383 nan 8.240 nan 0.000 0.448 152 I N 4.796 125.398 120.570 0.052 0.000 2.312 152 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 152 I C 0.192 176.331 176.117 0.038 0.000 1.008 152 I CA -0.667 60.650 61.300 0.027 0.000 1.226 152 I CB 0.480 38.479 38.000 -0.001 0.000 1.371 152 I HN 0.766 nan 8.210 nan 0.000 0.468 153 H N 4.297 123.348 119.070 -0.031 0.000 2.690 153 H HA 0.963 5.519 4.556 -0.000 0.000 0.368 153 H C -0.469 174.834 175.328 -0.040 0.000 1.150 153 H CA -0.776 55.241 56.048 -0.052 0.000 1.174 153 H CB 2.103 31.828 29.762 -0.062 0.000 1.684 153 H HN 0.723 nan 8.280 nan 0.000 0.538 154 G N 1.189 109.977 108.800 -0.020 0.000 2.321 154 G HA2 0.201 4.161 3.960 -0.000 0.000 0.298 154 G HA3 0.201 4.161 3.960 -0.000 0.000 0.298 154 G C -1.203 173.688 174.900 -0.015 0.000 1.385 154 G CA -0.900 44.170 45.100 -0.051 0.000 0.856 154 G HN 0.870 nan 8.290 nan 0.000 0.584 155 M N 1.051 120.650 119.600 -0.002 0.000 2.250 155 M HA 0.540 5.019 4.480 -0.000 0.000 0.325 155 M C 1.098 177.418 176.300 0.034 0.000 1.084 155 M CA 0.053 55.368 55.300 0.024 0.000 1.161 155 M CB 0.582 33.214 32.600 0.054 0.000 1.481 155 M HN 1.326 nan 8.290 nan 0.000 0.449 156 A N 3.104 125.947 122.820 0.038 0.000 2.546 156 A HA 0.400 4.720 4.320 -0.000 0.000 0.243 156 A C 1.154 178.781 177.584 0.072 0.000 1.063 156 A CA 0.512 52.570 52.037 0.035 0.000 0.757 156 A CB -0.945 18.028 19.000 -0.044 0.000 0.991 156 A HN 1.582 nan 8.150 nan 0.000 0.503 157 G N 0.439 109.305 108.800 0.110 0.000 2.162 157 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 157 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 157 G C 1.185 176.095 174.900 0.018 0.000 0.976 157 G CA 1.011 46.099 45.100 -0.019 0.000 0.655 157 G HN 2.240 nan 8.290 nan 0.000 0.533 158 C N -0.599 118.729 119.300 0.047 0.000 2.522 158 C HA 0.567 5.027 4.460 -0.000 0.000 0.271 158 C C 2.170 177.176 174.990 0.027 0.000 1.425 158 C CA 0.696 59.731 59.018 0.029 0.000 1.751 158 C CB -0.904 26.845 27.740 0.016 0.000 1.775 158 C HN 2.377 nan 8.230 nan 0.000 0.557 159 G N 0.703 109.531 108.800 0.046 0.000 2.141 159 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.164 159 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.164 159 G C 0.653 175.594 174.900 0.069 0.000 1.009 159 G CA 0.266 45.402 45.100 0.059 0.000 0.677 159 G HN 0.569 nan 8.290 nan 0.000 0.508 160 K N 0.682 121.119 120.400 0.062 0.000 2.097 160 K HA -0.026 4.293 4.320 -0.000 0.000 0.205 160 K C 2.836 179.494 176.600 0.096 0.000 1.050 160 K CA 1.718 58.037 56.287 0.053 0.000 0.938 160 K CB -0.181 32.331 32.500 0.020 0.000 0.718 160 K HN 0.566 nan 8.250 nan 0.000 0.442 161 S N 0.760 116.542 115.700 0.136 0.000 2.387 161 S HA -0.071 4.398 4.470 -0.000 0.000 0.226 161 S C 2.170 176.923 174.600 0.254 0.000 1.026 161 S CA 0.754 59.107 58.200 0.254 0.000 0.972 161 S CB -0.360 63.016 63.200 0.293 0.000 0.814 161 S HN 0.022 nan 8.310 nan 0.000 0.477 162 V N 2.051 122.064 119.914 0.164 0.000 2.343 162 V HA -0.114 4.006 4.120 -0.000 0.000 0.247 162 V C 2.595 178.787 176.094 0.163 0.000 1.051 162 V CA 1.853 64.243 62.300 0.150 0.000 1.036 162 V CB -0.808 31.119 31.823 0.172 0.000 0.654 162 V HN 0.476 nan 8.190 nan 0.000 0.451 163 L N -0.080 121.230 121.223 0.145 0.000 2.017 163 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 163 L C 2.715 179.656 176.870 0.119 0.000 1.073 163 L CA 1.696 56.609 54.840 0.123 0.000 0.745 163 L CB -0.740 41.367 42.059 0.081 0.000 0.894 163 L HN 0.365 nan 8.230 nan 0.000 0.432 164 A N -0.234 122.669 122.820 0.138 0.000 1.902 164 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 164 A C 2.495 180.198 177.584 0.199 0.000 1.181 164 A CA 1.684 53.805 52.037 0.140 0.000 0.623 164 A CB -0.691 18.371 19.000 0.103 0.000 0.818 164 A HN 0.419 nan 8.150 nan 0.000 0.443 165 A N -0.663 122.304 122.820 0.244 0.000 1.902 165 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 165 A C 1.974 179.567 177.584 0.015 0.000 1.181 165 A CA 1.752 53.845 52.037 0.093 0.000 0.623 165 A CB -0.397 18.530 19.000 -0.122 0.000 0.818 165 A HN 0.397 nan 8.150 nan 0.000 0.443 166 E N 0.038 120.264 120.200 0.042 0.000 2.077 166 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 166 E C 2.326 178.954 176.600 0.047 0.000 0.989 166 E CA 1.222 57.642 56.400 0.034 0.000 0.800 166 E CB -0.646 29.133 29.700 0.132 0.000 0.746 166 E HN 0.539 nan 8.360 nan 0.000 0.452 167 A N 0.786 123.646 122.820 0.067 0.000 1.978 167 A HA -0.160 4.159 4.320 -0.000 0.000 0.220 167 A C 2.321 179.943 177.584 0.063 0.000 1.170 167 A CA 1.924 54.000 52.037 0.066 0.000 0.636 167 A CB -0.508 18.532 19.000 0.066 0.000 0.810 167 A HN 0.215 nan 8.150 nan 0.000 0.448 168 V N -3.548 116.392 119.914 0.042 0.000 3.649 168 V HA 0.269 4.388 4.120 -0.000 0.000 0.275 168 V C 1.218 177.318 176.094 0.009 0.000 1.281 168 V CA 0.698 63.017 62.300 0.032 0.000 1.143 168 V CB -0.733 31.079 31.823 -0.018 0.000 0.892 168 V HN 0.408 nan 8.190 nan 0.000 0.441 169 R N 1.594 122.090 120.500 -0.006 0.000 4.680 169 R HA 0.319 4.659 4.340 -0.000 0.000 0.222 169 R C -0.704 175.607 176.300 0.019 0.000 1.803 169 R CA 0.125 56.204 56.100 -0.034 0.000 1.560 169 R CB -0.703 29.544 30.300 -0.088 0.000 1.412 169 R HN 0.731 nan 8.270 nan 0.000 0.815 170 D N -1.494 118.943 120.400 0.062 0.000 2.891 170 D HA 0.029 4.669 4.640 -0.000 0.000 0.224 170 D C 0.252 176.648 176.300 0.160 0.000 1.321 170 D CA -0.577 53.485 54.000 0.104 0.000 0.929 170 D CB 1.048 41.901 40.800 0.089 0.000 1.551 170 D HN 0.242 nan 8.370 nan 0.000 0.574 171 H N 1.898 121.032 119.070 0.106 0.000 2.321 171 H HA -0.056 4.499 4.556 -0.000 0.000 0.300 171 H C 1.372 176.763 175.328 0.105 0.000 1.087 171 H CA 2.372 58.516 56.048 0.159 0.000 1.319 171 H CB 0.499 30.333 29.762 0.119 0.000 1.379 171 H HN 0.299 nan 8.280 nan 0.000 0.501 172 S N 0.355 116.162 115.700 0.178 0.000 2.348 172 S HA -0.149 4.321 4.470 -0.000 0.000 0.221 172 S C 2.141 176.752 174.600 0.019 0.000 1.033 172 S CA 1.132 59.382 58.200 0.083 0.000 1.010 172 S CB -0.527 62.718 63.200 0.076 0.000 0.891 172 S HN 0.379 nan 8.310 nan 0.000 0.442 173 L N 1.304 122.554 121.223 0.044 0.000 2.013 173 L HA -0.099 4.240 4.340 -0.000 0.000 0.212 173 L C 2.104 179.004 176.870 0.051 0.000 1.073 173 L CA 1.558 56.418 54.840 0.033 0.000 0.753 173 L CB -0.561 41.553 42.059 0.092 0.000 0.890 173 L HN 0.181 nan 8.230 nan 0.000 0.432 174 L N -0.270 121.024 121.223 0.118 0.000 2.027 174 L HA -0.191 4.148 4.340 -0.000 0.000 0.206 174 L C 2.597 179.549 176.870 0.137 0.000 1.074 174 L CA 2.035 56.990 54.840 0.192 0.000 0.745 174 L CB -0.999 41.168 42.059 0.180 0.000 0.898 174 L HN 0.510 nan 8.230 nan 0.000 0.433 175 E N -1.271 118.938 120.200 0.016 0.000 2.072 175 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 175 E C 2.046 178.593 176.600 -0.088 0.000 0.985 175 E CA 1.034 57.368 56.400 -0.111 0.000 0.801 175 E CB -0.228 29.233 29.700 -0.399 0.000 0.750 175 E HN 0.520 nan 8.360 nan 0.000 0.452 176 G N -0.158 108.584 108.800 -0.096 0.000 2.394 176 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 176 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 176 G C 1.554 176.338 174.900 -0.194 0.000 1.165 176 G CA 0.885 45.914 45.100 -0.117 0.000 0.784 176 G HN 0.376 nan 8.290 nan 0.000 0.535 177 C N -1.086 118.023 119.300 -0.317 0.000 2.609 177 C HA 0.448 4.908 4.460 -0.000 0.000 0.305 177 C C 0.315 174.805 174.990 -0.833 0.000 1.319 177 C CA -0.370 58.235 59.018 -0.690 0.000 1.793 177 C CB -0.442 26.656 27.740 -1.070 0.000 2.260 177 C HN 0.245 nan 8.230 nan 0.000 0.535 178 F N 1.071 121.021 119.950 -0.001 0.000 2.566 178 F HA 0.313 4.840 4.527 -0.000 0.000 0.347 178 F C -1.697 174.119 175.800 0.026 0.000 1.515 178 F CA -2.413 55.590 58.000 0.004 0.000 1.103 178 F CB -0.232 38.762 39.000 -0.010 0.000 1.385 178 F HN 0.009 nan 8.300 nan 0.000 0.560 179 P HA -0.106 nan 4.420 nan 0.000 0.223 179 P C 1.593 178.976 177.300 0.137 0.000 1.144 179 P CA 1.204 64.382 63.100 0.131 0.000 0.783 179 P CB 0.274 32.012 31.700 0.064 0.000 0.771 180 G N -1.233 107.654 108.800 0.146 0.000 2.920 180 G HA2 0.366 4.326 3.960 -0.000 0.000 0.208 180 G HA3 0.366 4.326 3.960 -0.000 0.000 0.208 180 G C 0.781 175.765 174.900 0.141 0.000 1.159 180 G CA 0.442 45.630 45.100 0.146 0.000 0.784 180 G HN 0.620 nan 8.290 nan 0.000 0.535 181 G N -1.411 107.446 108.800 0.094 0.000 2.582 181 G HA2 0.236 4.195 3.960 -0.000 0.000 0.222 181 G HA3 0.236 4.195 3.960 -0.000 0.000 0.222 181 G C -0.433 174.402 174.900 -0.109 0.000 1.311 181 G CA 0.102 45.179 45.100 -0.038 0.000 0.915 181 G HN 1.554 nan 8.290 nan 0.000 0.528 182 V N -3.121 116.627 119.914 -0.277 0.000 2.925 182 V HA 0.917 5.037 4.120 -0.000 0.000 0.311 182 V C -0.623 175.183 176.094 -0.480 0.000 1.104 182 V CA -0.964 61.157 62.300 -0.299 0.000 0.954 182 V CB 2.101 33.776 31.823 -0.245 0.000 1.022 182 V HN 1.317 nan 8.190 nan 0.000 0.427 183 H N 3.764 122.755 119.070 -0.133 0.000 2.689 183 H HA 0.311 4.867 4.556 -0.000 0.000 0.346 183 H C -1.593 173.709 175.328 -0.043 0.000 1.037 183 H CA -0.218 55.774 56.048 -0.093 0.000 1.234 183 H CB 2.278 31.944 29.762 -0.161 0.000 1.572 183 H HN 0.958 nan 8.280 nan 0.000 0.524 184 W N 5.193 126.439 121.300 -0.089 0.000 2.390 184 W HA 0.397 5.057 4.660 -0.000 0.000 0.312 184 W C -1.475 174.983 176.519 -0.101 0.000 1.123 184 W CA -0.467 56.806 57.345 -0.119 0.000 1.202 184 W CB 1.183 30.559 29.460 -0.140 0.000 1.251 184 W HN 0.217 nan 8.180 nan 0.000 0.511 185 V N 5.598 125.256 119.914 -0.427 0.000 2.444 185 V HA 0.167 4.287 4.120 -0.000 0.000 0.294 185 V C 0.160 176.024 176.094 -0.383 0.000 1.022 185 V CA -0.818 61.328 62.300 -0.257 0.000 0.850 185 V CB 1.418 33.103 31.823 -0.230 0.000 0.992 185 V HN 0.517 nan 8.190 nan 0.000 0.426 186 S N 3.817 119.453 115.700 -0.106 0.000 2.411 186 S HA 0.558 5.027 4.470 -0.000 0.000 0.294 186 S C 0.326 174.875 174.600 -0.085 0.000 1.115 186 S CA -0.540 57.618 58.200 -0.070 0.000 1.071 186 S CB 1.493 64.705 63.200 0.019 0.000 0.967 186 S HN 0.375 nan 8.310 nan 0.000 0.488 187 V N 3.442 123.291 119.914 -0.109 0.000 2.695 187 V HA 0.510 4.630 4.120 -0.000 0.000 0.230 187 V C 1.719 177.783 176.094 -0.050 0.000 1.110 187 V CA 0.920 63.175 62.300 -0.076 0.000 1.159 187 V CB -1.600 30.157 31.823 -0.110 0.000 0.875 187 V HN 1.331 nan 8.190 nan 0.000 0.502 188 G N 0.893 109.694 108.800 0.002 0.000 2.697 188 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.240 188 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.240 188 G C -0.311 174.501 174.900 -0.147 0.000 1.346 188 G CA 0.268 45.390 45.100 0.038 0.000 0.887 188 G HN 0.623 nan 8.290 nan 0.000 0.569 189 K N 0.856 120.867 120.400 -0.648 0.000 2.402 189 K HA 0.466 4.786 4.320 -0.000 0.000 0.285 189 K C 0.077 176.444 176.600 -0.389 0.000 1.054 189 K CA 0.451 56.171 56.287 -0.945 0.000 1.001 189 K CB 0.454 32.031 32.500 -1.538 0.000 0.946 189 K HN 0.517 nan 8.250 nan 0.000 0.473 190 Q N 2.545 122.219 119.800 -0.210 0.000 2.397 190 Q HA 0.268 4.608 4.340 -0.000 0.000 0.275 190 Q C -0.885 175.192 176.000 0.130 0.000 1.090 190 Q CA -0.869 54.900 55.803 -0.058 0.000 0.809 190 Q CB 1.875 30.586 28.738 -0.045 0.000 1.362 190 Q HN 0.824 nan 8.270 nan 0.000 0.431 191 D N 0.018 120.496 120.400 0.130 0.000 2.506 191 D HA 0.224 4.864 4.640 -0.000 0.000 0.272 191 D C 0.745 177.188 176.300 0.239 0.000 1.214 191 D CA -0.478 53.634 54.000 0.187 0.000 1.067 191 D CB 0.939 41.731 40.800 -0.012 0.000 1.117 191 D HN 0.049 nan 8.370 nan 0.000 0.578 192 K N -0.154 120.271 120.400 0.042 0.000 2.032 192 K HA -0.122 4.197 4.320 -0.000 0.000 0.209 192 K C 2.099 178.697 176.600 -0.003 0.000 1.048 192 K CA 1.880 58.179 56.287 0.020 0.000 0.927 192 K CB -0.853 31.553 32.500 -0.157 0.000 0.712 192 K HN 0.628 nan 8.250 nan 0.000 0.441 193 S N -0.001 115.622 115.700 -0.128 0.000 2.387 193 S HA -0.047 4.422 4.470 -0.000 0.000 0.226 193 S C 2.288 176.816 174.600 -0.120 0.000 1.026 193 S CA 1.055 59.188 58.200 -0.111 0.000 0.972 193 S CB -0.712 62.421 63.200 -0.113 0.000 0.814 193 S HN 0.336 nan 8.310 nan 0.000 0.477 194 G N 2.000 110.740 108.800 -0.100 0.000 2.421 194 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 194 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 194 G C 1.377 176.253 174.900 -0.041 0.000 1.171 194 G CA 1.035 46.091 45.100 -0.073 0.000 0.775 194 G HN 0.470 nan 8.290 nan 0.000 0.543 195 L N 0.161 121.398 121.223 0.023 0.000 2.093 195 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 195 L C 2.518 179.383 176.870 -0.009 0.000 1.085 195 L CA 1.415 56.273 54.840 0.031 0.000 0.755 195 L CB -0.587 41.533 42.059 0.103 0.000 0.904 195 L HN 0.195 nan 8.230 nan 0.000 0.435 196 L N -0.717 120.495 121.223 -0.019 0.000 2.042 196 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 196 L C 2.385 179.207 176.870 -0.080 0.000 1.076 196 L CA 2.051 56.860 54.840 -0.051 0.000 0.749 196 L CB -0.467 41.565 42.059 -0.046 0.000 0.893 196 L HN 0.325 nan 8.230 nan 0.000 0.432 197 M N -0.990 118.539 119.600 -0.119 0.000 2.108 197 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 197 M C 2.143 178.394 176.300 -0.082 0.000 1.066 197 M CA 1.606 56.819 55.300 -0.146 0.000 1.107 197 M CB -0.407 32.048 32.600 -0.242 0.000 1.356 197 M HN 0.123 nan 8.290 nan 0.000 0.406 198 K N 0.612 120.983 120.400 -0.049 0.000 2.057 198 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 198 K C 1.910 178.509 176.600 -0.001 0.000 1.049 198 K CA 1.340 57.622 56.287 -0.008 0.000 0.931 198 K CB -0.750 31.764 32.500 0.024 0.000 0.714 198 K HN 0.403 nan 8.250 nan 0.000 0.440 199 L N 1.141 122.347 121.223 -0.028 0.000 2.093 199 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 199 L C 2.664 179.497 176.870 -0.062 0.000 1.085 199 L CA 1.205 56.006 54.840 -0.065 0.000 0.755 199 L CB -0.445 41.529 42.059 -0.141 0.000 0.904 199 L HN 0.234 nan 8.230 nan 0.000 0.435 200 Q N -0.245 119.519 119.800 -0.060 0.000 2.050 200 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 200 Q C 2.121 178.096 176.000 -0.041 0.000 0.980 200 Q CA 1.667 57.438 55.803 -0.054 0.000 0.840 200 Q CB -0.318 28.382 28.738 -0.063 0.000 0.898 200 Q HN 0.496 nan 8.270 nan 0.000 0.424 201 N N 0.767 119.446 118.700 -0.035 0.000 2.104 201 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 201 N C 1.889 177.389 175.510 -0.017 0.000 1.024 201 N CA 0.928 53.967 53.050 -0.018 0.000 0.853 201 N CB 0.019 38.501 38.487 -0.007 0.000 1.008 201 N HN 0.158 nan 8.380 nan 0.000 0.424 202 L N 1.415 122.626 121.223 -0.019 0.000 2.056 202 L HA -0.079 4.260 4.340 -0.000 0.000 0.207 202 L C 2.588 179.416 176.870 -0.070 0.000 1.078 202 L CA 1.453 56.272 54.840 -0.035 0.000 0.749 202 L CB -1.019 41.038 42.059 -0.004 0.000 0.901 202 L HN 0.227 nan 8.230 nan 0.000 0.433 203 C N -0.876 118.387 119.300 -0.061 0.000 2.425 203 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 203 C C 2.610 177.575 174.990 -0.040 0.000 1.280 203 C CA 1.419 60.399 59.018 -0.064 0.000 1.744 203 C CB -1.336 26.369 27.740 -0.059 0.000 1.989 203 C HN 0.630 nan 8.230 nan 0.000 0.491 204 T N 0.185 114.724 114.554 -0.025 0.000 2.777 204 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 204 T C 2.034 176.734 174.700 0.001 0.000 1.040 204 T CA 0.996 63.094 62.100 -0.003 0.000 1.141 204 T CB -0.227 68.642 68.868 0.002 0.000 0.868 204 T HN 0.544 nan 8.240 nan 0.000 0.444 205 R N 0.582 121.072 120.500 -0.017 0.000 2.105 205 R HA 0.040 4.380 4.340 -0.000 0.000 0.239 205 R C 2.212 178.486 176.300 -0.044 0.000 1.135 205 R CA 1.023 57.114 56.100 -0.016 0.000 0.967 205 R CB -0.471 29.817 30.300 -0.021 0.000 0.861 205 R HN 0.383 nan 8.270 nan 0.000 0.442 206 L N -0.029 121.124 121.223 -0.117 0.000 2.554 206 L HA -0.017 4.322 4.340 -0.000 0.000 0.226 206 L C 0.438 177.388 176.870 0.133 0.000 1.137 206 L CA 0.424 55.172 54.840 -0.153 0.000 0.863 206 L CB 0.060 41.947 42.059 -0.288 0.000 0.985 206 L HN 0.022 nan 8.230 nan 0.000 0.451 207 D N -0.931 119.517 120.400 0.080 0.000 2.739 207 D HA 0.096 4.736 4.640 -0.000 0.000 0.335 207 D C 1.010 177.371 176.300 0.101 0.000 1.216 207 D CA -0.064 54.010 54.000 0.122 0.000 0.808 207 D CB 0.605 41.473 40.800 0.114 0.000 1.121 207 D HN 0.039 nan 8.370 nan 0.000 0.499 208 Q N -0.127 119.732 119.800 0.098 0.000 2.020 208 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 208 Q C 1.240 177.280 176.000 0.067 0.000 0.974 208 Q CA 1.524 57.371 55.803 0.074 0.000 0.829 208 Q CB 0.169 28.950 28.738 0.072 0.000 0.894 208 Q HN 0.391 nan 8.270 nan 0.000 0.433 209 D N 0.406 120.848 120.400 0.070 0.000 2.403 209 D HA -0.195 4.445 4.640 -0.000 0.000 0.227 209 D C -0.282 176.046 176.300 0.047 0.000 0.995 209 D CA 0.807 54.838 54.000 0.052 0.000 0.928 209 D CB -0.243 40.584 40.800 0.044 0.000 0.887 209 D HN 0.310 nan 8.370 nan 0.000 0.529 210 E N -1.479 118.763 120.200 0.071 0.000 2.637 210 E HA -0.241 4.109 4.350 -0.000 0.000 0.265 210 E C 0.560 177.180 176.600 0.033 0.000 1.073 210 E CA 0.617 57.056 56.400 0.065 0.000 0.778 210 E CB -1.538 28.185 29.700 0.039 0.000 1.362 210 E HN 0.542 nan 8.360 nan 0.000 0.413 211 S N -0.973 114.747 115.700 0.034 0.000 2.547 211 S HA 0.008 4.478 4.470 -0.000 0.000 0.235 211 S C 0.559 174.885 174.600 -0.457 0.000 0.980 211 S CA 0.535 58.634 58.200 -0.168 0.000 0.941 211 S CB 0.029 63.126 63.200 -0.172 0.000 0.763 211 S HN 0.278 nan 8.310 nan 0.000 0.532 212 F N 0.874 120.818 119.950 -0.010 0.000 2.782 212 F HA 0.547 5.074 4.527 -0.000 0.000 0.366 212 F C 0.736 176.529 175.800 -0.011 0.000 1.171 212 F CA -1.462 56.531 58.000 -0.012 0.000 1.064 212 F CB 0.227 39.220 39.000 -0.011 0.000 1.449 212 F HN -0.230 nan 8.300 nan 0.000 0.520 213 S N 0.708 116.523 115.700 0.192 0.000 2.558 213 S HA -0.084 4.386 4.470 -0.000 0.000 0.293 213 S C 0.956 175.593 174.600 0.062 0.000 1.292 213 S CA -0.114 58.136 58.200 0.084 0.000 1.063 213 S CB 0.645 63.885 63.200 0.066 0.000 0.831 213 S HN 0.692 nan 8.310 nan 0.000 0.499 214 Q N 2.026 121.845 119.800 0.032 0.000 2.331 214 Q HA -0.060 4.279 4.340 -0.000 0.000 0.203 214 Q C 0.701 176.719 176.000 0.029 0.000 0.944 214 Q CA 0.467 56.287 55.803 0.028 0.000 0.892 214 Q CB 0.210 28.957 28.738 0.015 0.000 0.983 214 Q HN 0.705 nan 8.270 nan 0.000 0.482 215 R N 0.109 120.624 120.500 0.025 0.000 2.457 215 R HA 0.425 4.765 4.340 -0.000 0.000 0.284 215 R C -0.676 175.637 176.300 0.021 0.000 1.024 215 R CA -0.634 55.486 56.100 0.033 0.000 1.025 215 R CB 0.755 31.080 30.300 0.040 0.000 1.063 215 R HN 0.001 nan 8.270 nan 0.000 0.493 216 L N 3.086 124.316 121.223 0.011 0.000 2.467 216 L HA 0.298 4.638 4.340 -0.000 0.000 0.270 216 L C -1.634 175.231 176.870 -0.009 0.000 1.205 216 L CA -2.107 52.728 54.840 -0.007 0.000 0.828 216 L CB 0.316 42.360 42.059 -0.026 0.000 1.101 216 L HN 0.594 nan 8.230 nan 0.000 0.479 217 P HA 0.022 nan 4.420 nan 0.000 0.268 217 P C 0.121 177.406 177.300 -0.026 0.000 1.205 217 P CA 0.064 63.149 63.100 -0.025 0.000 0.771 217 P CB 0.846 32.521 31.700 -0.042 0.000 0.858 218 L N 1.068 122.281 121.223 -0.018 0.000 2.638 218 L HA 0.131 4.471 4.340 -0.000 0.000 0.232 218 L C 0.708 177.569 176.870 -0.015 0.000 1.099 218 L CA 0.361 55.192 54.840 -0.014 0.000 0.883 218 L CB -0.349 41.709 42.059 -0.002 0.000 1.136 218 L HN 0.518 nan 8.230 nan 0.000 0.492 219 N N -2.055 116.633 118.700 -0.020 0.000 2.934 219 N HA 0.261 5.000 4.740 -0.000 0.000 0.253 219 N C 0.274 175.764 175.510 -0.032 0.000 1.466 219 N CA -0.814 52.223 53.050 -0.022 0.000 0.858 219 N CB 0.555 39.032 38.487 -0.016 0.000 1.459 219 N HN -0.190 nan 8.380 nan 0.000 0.532 220 I N -0.227 120.326 120.570 -0.029 0.000 2.286 220 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 220 I C 2.266 178.355 176.117 -0.046 0.000 1.115 220 I CA 1.327 62.606 61.300 -0.035 0.000 1.392 220 I CB -0.139 37.862 38.000 0.002 0.000 1.065 220 I HN 0.742 nan 8.210 nan 0.000 0.418 221 E N 1.151 121.332 120.200 -0.033 0.000 2.051 221 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 221 E C 2.013 178.590 176.600 -0.038 0.000 0.991 221 E CA 1.456 57.837 56.400 -0.031 0.000 0.799 221 E CB 0.035 29.721 29.700 -0.022 0.000 0.748 221 E HN 0.487 nan 8.360 nan 0.000 0.449 222 E N 0.018 120.198 120.200 -0.034 0.000 2.085 222 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 222 E C 2.027 178.596 176.600 -0.052 0.000 0.994 222 E CA 0.903 57.282 56.400 -0.034 0.000 0.801 222 E CB -0.137 29.548 29.700 -0.024 0.000 0.743 222 E HN 0.336 nan 8.360 nan 0.000 0.453 223 A N 1.756 124.535 122.820 -0.068 0.000 1.898 223 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 223 A C 2.072 179.580 177.584 -0.127 0.000 1.181 223 A CA 1.632 53.610 52.037 -0.097 0.000 0.620 223 A CB -0.358 18.574 19.000 -0.113 0.000 0.819 223 A HN 0.089 nan 8.150 nan 0.000 0.442 224 K N -0.310 120.013 120.400 -0.127 0.000 2.026 224 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 224 K C 1.784 178.330 176.600 -0.089 0.000 1.048 224 K CA 1.956 58.164 56.287 -0.132 0.000 0.929 224 K CB -0.308 32.134 32.500 -0.096 0.000 0.713 224 K HN 0.380 nan 8.250 nan 0.000 0.439 225 D N 0.047 120.408 120.400 -0.065 0.000 2.123 225 D HA -0.180 4.459 4.640 -0.000 0.000 0.196 225 D C 2.088 178.348 176.300 -0.066 0.000 0.992 225 D CA 1.252 55.221 54.000 -0.052 0.000 0.833 225 D CB 0.048 40.828 40.800 -0.035 0.000 0.954 225 D HN 0.195 nan 8.370 nan 0.000 0.455 226 R N -0.653 119.803 120.500 -0.074 0.000 2.092 226 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 226 R C 2.206 178.432 176.300 -0.123 0.000 1.119 226 R CA 0.835 56.880 56.100 -0.091 0.000 0.970 226 R CB -0.409 29.846 30.300 -0.074 0.000 0.864 226 R HN 0.229 nan 8.270 nan 0.000 0.440 227 L N 1.096 122.251 121.223 -0.114 0.000 2.046 227 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 227 L C 2.425 179.235 176.870 -0.099 0.000 1.077 227 L CA 1.743 56.515 54.840 -0.112 0.000 0.747 227 L CB -0.514 41.474 42.059 -0.118 0.000 0.896 227 L HN 0.148 nan 8.230 nan 0.000 0.432 228 R N -0.337 120.111 120.500 -0.086 0.000 2.083 228 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 228 R C 2.271 178.515 176.300 -0.093 0.000 1.137 228 R CA 2.246 58.304 56.100 -0.069 0.000 0.951 228 R CB -0.400 29.870 30.300 -0.049 0.000 0.851 228 R HN 0.461 nan 8.270 nan 0.000 0.434 229 I N 0.676 121.168 120.570 -0.130 0.000 2.286 229 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 229 I C 2.226 178.155 176.117 -0.313 0.000 1.104 229 I CA 0.999 62.183 61.300 -0.193 0.000 1.397 229 I CB -0.187 37.693 38.000 -0.199 0.000 1.072 229 I HN 0.208 nan 8.210 nan 0.000 0.417 230 L N -0.263 120.763 121.223 -0.329 0.000 2.083 230 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 230 L C 2.601 179.417 176.870 -0.089 0.000 1.083 230 L CA 0.967 55.619 54.840 -0.313 0.000 0.752 230 L CB -0.406 41.527 42.059 -0.210 0.000 0.899 230 L HN 0.286 nan 8.230 nan 0.000 0.433 231 M N -0.977 118.589 119.600 -0.057 0.000 2.254 231 M HA -0.112 4.368 4.480 -0.000 0.000 0.265 231 M C 2.247 178.546 176.300 -0.003 0.000 1.066 231 M CA 1.415 56.721 55.300 0.011 0.000 1.123 231 M CB -0.918 31.671 32.600 -0.019 0.000 1.388 231 M HN 0.227 nan 8.290 nan 0.000 0.425 232 L N 0.355 121.549 121.223 -0.048 0.000 2.023 232 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 232 L C 2.465 179.313 176.870 -0.036 0.000 1.073 232 L CA 1.833 56.652 54.840 -0.035 0.000 0.745 232 L CB -0.375 41.660 42.059 -0.040 0.000 0.900 232 L HN 0.097 nan 8.230 nan 0.000 0.435 233 R N -0.505 119.948 120.500 -0.078 0.000 2.173 233 R HA 0.098 4.437 4.340 -0.000 0.000 0.208 233 R C 1.926 178.202 176.300 -0.040 0.000 1.035 233 R CA 0.762 56.848 56.100 -0.023 0.000 1.004 233 R CB -0.086 30.234 30.300 0.034 0.000 0.917 233 R HN 0.414 nan 8.270 nan 0.000 0.462 234 K N -0.892 119.410 120.400 -0.163 0.000 2.399 234 K HA 0.139 4.459 4.320 -0.000 0.000 0.196 234 K C 0.106 176.329 176.600 -0.629 0.000 1.103 234 K CA 0.252 56.324 56.287 -0.359 0.000 0.986 234 K CB 0.783 33.017 32.500 -0.444 0.000 0.952 234 K HN 0.158 nan 8.250 nan 0.000 0.541 235 H N 0.660 119.724 119.070 -0.010 0.000 2.779 235 H HA 0.217 4.772 4.556 -0.000 0.000 0.230 235 H C -2.664 172.678 175.328 0.024 0.000 1.365 235 H CA -1.735 54.326 56.048 0.022 0.000 1.086 235 H CB 0.677 30.445 29.762 0.010 0.000 2.038 235 H HN 0.092 nan 8.280 nan 0.000 0.558 236 P HA 0.051 nan 4.420 nan 0.000 0.272 236 P C 0.233 177.585 177.300 0.087 0.000 1.223 236 P CA -0.116 63.020 63.100 0.060 0.000 0.784 236 P CB 0.978 32.696 31.700 0.030 0.000 0.923 237 R N -1.403 119.148 120.500 0.085 0.000 3.416 237 R HA -0.106 4.233 4.340 -0.000 0.000 0.263 237 R C 0.117 176.540 176.300 0.205 0.000 1.053 237 R CA 0.711 56.881 56.100 0.116 0.000 0.705 237 R CB -2.825 27.520 30.300 0.075 0.000 1.124 237 R HN 0.769 nan 8.270 nan 0.000 0.444 238 S N -0.734 115.084 115.700 0.197 0.000 2.671 238 S HA 0.781 5.251 4.470 -0.000 0.000 0.299 238 S C -0.492 174.132 174.600 0.041 0.000 1.116 238 S CA -1.261 57.042 58.200 0.172 0.000 0.912 238 S CB 2.523 65.817 63.200 0.156 0.000 1.130 238 S HN 0.189 nan 8.310 nan 0.000 0.501 239 L N 1.203 122.284 121.223 -0.235 0.000 2.317 239 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 239 L C -1.343 175.369 176.870 -0.263 0.000 1.024 239 L CA -0.844 53.717 54.840 -0.464 0.000 0.810 239 L CB 1.391 42.781 42.059 -1.116 0.000 1.240 239 L HN 0.780 nan 8.230 nan 0.000 0.427 240 L N 5.985 127.070 121.223 -0.230 0.000 2.282 240 L HA 0.564 4.904 4.340 -0.000 0.000 0.288 240 L C -0.744 175.956 176.870 -0.284 0.000 1.033 240 L CA 0.075 54.793 54.840 -0.204 0.000 0.807 240 L CB 1.127 43.081 42.059 -0.174 0.000 1.209 240 L HN 0.489 nan 8.230 nan 0.000 0.423 241 I N 6.247 126.623 120.570 -0.323 0.000 2.355 241 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 241 I C -0.839 174.872 176.117 -0.677 0.000 0.999 241 I CA -0.546 60.473 61.300 -0.468 0.000 1.163 241 I CB 1.212 38.923 38.000 -0.481 0.000 1.316 241 I HN 0.349 nan 8.210 nan 0.000 0.454 242 L N 5.464 126.323 121.223 -0.606 0.000 2.276 242 L HA 0.390 4.730 4.340 -0.000 0.000 0.286 242 L C -0.571 175.969 176.870 -0.551 0.000 1.024 242 L CA -0.474 53.997 54.840 -0.615 0.000 0.826 242 L CB 1.281 42.984 42.059 -0.594 0.000 1.211 242 L HN 0.532 nan 8.230 nan 0.000 0.422 243 D N 3.213 123.250 120.400 -0.605 0.000 2.313 243 D HA 0.176 4.816 4.640 -0.000 0.000 0.239 243 D C -0.163 176.018 176.300 -0.199 0.000 1.142 243 D CA 0.241 53.989 54.000 -0.419 0.000 0.847 243 D CB 0.737 41.302 40.800 -0.392 0.000 1.082 243 D HN 0.492 nan 8.370 nan 0.000 0.480 244 D N 2.717 123.037 120.400 -0.134 0.000 3.026 244 D HA -0.157 4.483 4.640 -0.000 0.000 0.248 244 D C -1.233 175.088 176.300 0.035 0.000 1.100 244 D CA 0.238 54.215 54.000 -0.039 0.000 0.855 244 D CB -0.708 40.124 40.800 0.053 0.000 1.011 244 D HN 0.094 nan 8.370 nan 0.000 0.423 245 V N 2.198 122.073 119.914 -0.064 0.000 2.461 245 V HA 0.220 4.340 4.120 -0.000 0.000 0.275 245 V C 1.158 177.240 176.094 -0.020 0.000 1.047 245 V CA -0.137 62.136 62.300 -0.045 0.000 0.955 245 V CB 1.288 33.027 31.823 -0.140 0.000 0.988 245 V HN 0.482 nan 8.190 nan 0.000 0.471 246 W N 0.920 122.112 121.300 -0.180 0.000 2.808 246 W HA 0.271 4.931 4.660 -0.000 0.000 0.266 246 W C 0.391 176.820 176.519 -0.150 0.000 1.247 246 W CA -0.127 57.138 57.345 -0.133 0.000 1.440 246 W CB 0.527 29.930 29.460 -0.096 0.000 1.040 246 W HN 0.442 nan 8.180 nan 0.000 0.606 247 D N -1.315 119.055 120.400 -0.049 0.000 2.819 247 D HA 0.085 4.725 4.640 -0.000 0.000 0.232 247 D C 1.022 177.170 176.300 -0.253 0.000 1.160 247 D CA 0.067 53.980 54.000 -0.145 0.000 0.858 247 D CB 1.963 42.633 40.800 -0.218 0.000 1.610 247 D HN -0.196 nan 8.370 nan 0.000 0.481 248 S N 1.430 117.063 115.700 -0.111 0.000 2.400 248 S HA -0.154 4.316 4.470 -0.000 0.000 0.232 248 S C 1.853 176.426 174.600 -0.044 0.000 1.025 248 S CA 0.532 58.674 58.200 -0.097 0.000 0.993 248 S CB -0.499 62.677 63.200 -0.039 0.000 0.808 248 S HN 0.802 nan 8.310 nan 0.000 0.478 249 W N 1.795 123.092 121.300 -0.006 0.000 2.374 249 W HA 0.008 4.668 4.660 -0.000 0.000 0.288 249 W C 1.394 177.929 176.519 0.026 0.000 1.218 249 W CA 0.660 58.006 57.345 0.001 0.000 1.245 249 W CB -0.887 28.573 29.460 -0.000 0.000 1.126 249 W HN 0.185 nan 8.180 nan 0.000 0.545 250 V N 2.504 121.996 119.914 -0.703 0.000 2.358 250 V HA -0.305 3.814 4.120 -0.000 0.000 0.246 250 V C 2.763 178.842 176.094 -0.024 0.000 1.047 250 V CA 1.689 63.635 62.300 -0.591 0.000 1.035 250 V CB -0.905 30.504 31.823 -0.691 0.000 0.658 250 V HN 0.166 nan 8.190 nan 0.000 0.452 251 L N -0.482 120.720 121.223 -0.036 0.000 2.131 251 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 251 L C 2.596 179.576 176.870 0.184 0.000 1.092 251 L CA 1.523 56.414 54.840 0.086 0.000 0.759 251 L CB -0.538 41.400 42.059 -0.202 0.000 0.903 251 L HN 0.342 nan 8.230 nan 0.000 0.435 252 K N -0.016 120.445 120.400 0.101 0.000 2.147 252 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 252 K C 2.100 178.772 176.600 0.120 0.000 1.049 252 K CA 1.290 57.651 56.287 0.125 0.000 0.936 252 K CB -0.167 32.403 32.500 0.117 0.000 0.722 252 K HN 0.279 nan 8.250 nan 0.000 0.446 253 A N 0.333 123.196 122.820 0.071 0.000 2.070 253 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 253 A C 1.379 178.784 177.584 -0.299 0.000 1.159 253 A CA 1.117 53.077 52.037 -0.128 0.000 0.656 253 A CB -0.363 18.496 19.000 -0.235 0.000 0.800 253 A HN 0.224 nan 8.150 nan 0.000 0.453 254 F N -0.649 119.354 119.950 0.089 0.000 2.664 254 F HA 0.183 4.710 4.527 -0.000 0.000 0.303 254 F C 0.473 176.365 175.800 0.153 0.000 1.092 254 F CA -0.586 57.470 58.000 0.093 0.000 1.305 254 F CB 0.373 39.436 39.000 0.105 0.000 1.054 254 F HN 0.042 nan 8.300 nan 0.000 0.565 255 D N 0.624 121.226 120.400 0.338 0.000 2.551 255 D HA 0.117 4.757 4.640 -0.000 0.000 0.223 255 D C -0.011 176.376 176.300 0.145 0.000 1.144 255 D CA 0.326 54.531 54.000 0.342 0.000 1.025 255 D CB 0.001 41.006 40.800 0.342 0.000 1.085 255 D HN -0.069 nan 8.370 nan 0.000 0.506 256 S N 1.863 117.602 115.700 0.064 0.000 2.740 256 S HA 0.103 4.573 4.470 -0.000 0.000 0.244 256 S C -0.065 174.522 174.600 -0.023 0.000 1.101 256 S CA -0.479 57.729 58.200 0.013 0.000 1.123 256 S CB 0.483 63.680 63.200 -0.005 0.000 1.012 256 S HN 0.346 nan 8.310 nan 0.000 0.491 257 Q N -0.150 119.630 119.800 -0.033 0.000 2.478 257 Q HA -0.165 4.175 4.340 -0.000 0.000 0.286 257 Q C -0.343 175.602 176.000 -0.091 0.000 1.299 257 Q CA 0.467 56.237 55.803 -0.054 0.000 0.826 257 Q CB -2.581 26.142 28.738 -0.025 0.000 1.199 257 Q HN 0.685 nan 8.270 nan 0.000 0.451 258 C N 0.116 119.315 119.300 -0.167 0.000 2.401 258 C HA 0.539 4.999 4.460 -0.000 0.000 0.356 258 C C 0.619 175.443 174.990 -0.278 0.000 1.192 258 C CA -0.650 58.256 59.018 -0.186 0.000 2.028 258 C CB 1.733 29.360 27.740 -0.189 0.000 2.344 258 C HN 0.454 nan 8.230 nan 0.000 0.525 259 Q N 1.249 120.938 119.800 -0.184 0.000 2.303 259 Q HA 0.654 4.994 4.340 -0.000 0.000 0.257 259 Q C -1.087 174.768 176.000 -0.241 0.000 0.941 259 Q CA 0.309 56.014 55.803 -0.163 0.000 0.931 259 Q CB 1.025 29.792 28.738 0.048 0.000 1.215 259 Q HN 0.555 nan 8.270 nan 0.000 0.437 260 I N 3.473 123.856 120.570 -0.311 0.000 2.499 260 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 260 I C -1.184 174.867 176.117 -0.109 0.000 1.048 260 I CA -1.028 60.111 61.300 -0.269 0.000 1.062 260 I CB 1.720 39.495 38.000 -0.376 0.000 1.238 260 I HN 0.373 nan 8.210 nan 0.000 0.426 261 L N 8.419 129.557 121.223 -0.143 0.000 2.296 261 L HA 0.708 5.048 4.340 -0.000 0.000 0.286 261 L C -0.931 175.849 176.870 -0.150 0.000 1.023 261 L CA -0.240 54.541 54.840 -0.098 0.000 0.812 261 L CB 1.370 43.347 42.059 -0.137 0.000 1.223 261 L HN 0.536 nan 8.230 nan 0.000 0.421 262 L N 1.895 123.065 121.223 -0.088 0.000 2.393 262 L HA 0.960 5.300 4.340 -0.000 0.000 0.260 262 L C -0.395 176.406 176.870 -0.114 0.000 1.002 262 L CA -0.559 54.191 54.840 -0.150 0.000 0.818 262 L CB 2.083 44.078 42.059 -0.107 0.000 1.369 262 L HN 0.638 nan 8.230 nan 0.000 0.412 263 T N -1.839 112.623 114.554 -0.152 0.000 2.888 263 T HA 0.800 5.150 4.350 -0.000 0.000 0.284 263 T C -0.253 174.381 174.700 -0.110 0.000 1.017 263 T CA -0.502 61.538 62.100 -0.100 0.000 1.022 263 T CB 1.791 70.605 68.868 -0.089 0.000 1.013 263 T HN 0.981 nan 8.240 nan 0.000 0.465 264 T N 0.313 114.814 114.554 -0.089 0.000 2.886 264 T HA 0.380 4.730 4.350 -0.000 0.000 0.330 264 T C 0.384 175.004 174.700 -0.134 0.000 1.488 264 T CA -0.809 61.203 62.100 -0.146 0.000 1.054 264 T CB 1.508 70.289 68.868 -0.146 0.000 1.348 264 T HN 0.704 nan 8.240 nan 0.000 0.489 265 R N 1.105 121.450 120.500 -0.259 0.000 2.240 265 R HA 0.195 4.534 4.340 -0.000 0.000 0.203 265 R C -0.165 176.033 176.300 -0.169 0.000 1.011 265 R CA 0.235 56.204 56.100 -0.218 0.000 1.007 265 R CB 0.208 30.292 30.300 -0.359 0.000 0.911 265 R HN 0.364 nan 8.270 nan 0.000 0.468 266 D N 0.906 121.182 120.400 -0.207 0.000 2.454 266 D HA 0.058 4.697 4.640 -0.000 0.000 0.247 266 D C 0.385 176.574 176.300 -0.185 0.000 1.129 266 D CA -0.375 53.516 54.000 -0.181 0.000 0.877 266 D CB 1.241 41.931 40.800 -0.183 0.000 1.082 266 D HN -0.109 nan 8.370 nan 0.000 0.537 267 K N 1.767 122.016 120.400 -0.251 0.000 2.286 267 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 267 K C 1.272 177.737 176.600 -0.224 0.000 1.045 267 K CA 1.681 57.774 56.287 -0.323 0.000 0.935 267 K CB 0.102 32.227 32.500 -0.625 0.000 0.737 267 K HN 0.247 nan 8.250 nan 0.000 0.460 268 S N 0.088 115.679 115.700 -0.181 0.000 2.607 268 S HA -0.042 4.428 4.470 -0.000 0.000 0.224 268 S C 1.758 176.272 174.600 -0.144 0.000 0.969 268 S CA 0.466 58.578 58.200 -0.145 0.000 0.927 268 S CB -0.256 62.879 63.200 -0.107 0.000 0.772 268 S HN 0.298 nan 8.310 nan 0.000 0.533 269 V N 0.704 120.522 119.914 -0.161 0.000 3.026 269 V HA -0.036 4.083 4.120 -0.000 0.000 0.265 269 V C 2.115 178.069 176.094 -0.234 0.000 1.121 269 V CA 1.677 63.875 62.300 -0.170 0.000 1.142 269 V CB -2.109 29.610 31.823 -0.174 0.000 0.730 269 V HN 0.740 nan 8.190 nan 0.000 0.503 270 T N -4.171 110.223 114.554 -0.267 0.000 3.144 270 T HA 0.094 4.444 4.350 -0.000 0.000 0.249 270 T C 1.111 175.619 174.700 -0.319 0.000 1.089 270 T CA 0.482 62.347 62.100 -0.391 0.000 0.989 270 T CB -0.189 68.442 68.868 -0.395 0.000 0.992 270 T HN 0.420 nan 8.240 nan 0.000 0.540 271 D N 2.599 122.873 120.400 -0.209 0.000 2.178 271 D HA -0.060 4.580 4.640 -0.000 0.000 0.202 271 D C 2.150 178.374 176.300 -0.128 0.000 0.974 271 D CA 1.411 55.323 54.000 -0.147 0.000 0.841 271 D CB -0.166 40.574 40.800 -0.100 0.000 0.953 271 D HN 0.647 nan 8.370 nan 0.000 0.478 272 S N -0.620 115.002 115.700 -0.130 0.000 2.631 272 S HA 0.194 4.664 4.470 -0.000 0.000 0.217 272 S C 0.503 175.044 174.600 -0.099 0.000 0.958 272 S CA -0.482 57.669 58.200 -0.081 0.000 0.920 272 S CB 0.392 63.571 63.200 -0.035 0.000 0.776 272 S HN -0.085 nan 8.310 nan 0.000 0.517 273 V N 1.667 121.467 119.914 -0.189 0.000 2.914 273 V HA 0.642 4.762 4.120 -0.000 0.000 0.314 273 V C -0.666 175.341 176.094 -0.145 0.000 1.084 273 V CA -0.938 61.233 62.300 -0.214 0.000 0.963 273 V CB 2.150 33.608 31.823 -0.607 0.000 1.025 273 V HN 0.490 nan 8.190 nan 0.000 0.432 274 M N 2.290 121.916 119.600 0.044 0.000 2.691 274 M HA 0.852 5.331 4.480 -0.000 0.000 0.293 274 M C 0.152 176.600 176.300 0.247 0.000 1.259 274 M CA -0.158 55.196 55.300 0.089 0.000 0.827 274 M CB 2.346 34.984 32.600 0.063 0.000 1.753 274 M HN 0.961 nan 8.290 nan 0.000 0.465 275 G N 0.832 109.726 108.800 0.156 0.000 2.434 275 G HA2 0.006 3.966 3.960 -0.000 0.000 0.671 275 G HA3 0.006 3.966 3.960 -0.000 0.000 0.671 275 G C -3.345 171.627 174.900 0.120 0.000 1.280 275 G CA -1.375 43.818 45.100 0.155 0.000 0.975 275 G HN 0.444 nan 8.290 nan 0.000 0.510 276 P HA 0.371 nan 4.420 nan 0.000 0.264 276 P C -0.490 176.726 177.300 -0.140 0.000 1.193 276 P CA 0.479 63.516 63.100 -0.105 0.000 0.763 276 P CB 0.429 32.115 31.700 -0.024 0.000 0.810 277 K N 2.954 123.113 120.400 -0.401 0.000 2.545 277 K HA 0.422 4.742 4.320 -0.000 0.000 0.252 277 K C -1.130 175.184 176.600 -0.477 0.000 0.948 277 K CA -0.509 55.626 56.287 -0.253 0.000 0.827 277 K CB 1.284 33.710 32.500 -0.122 0.000 1.128 277 K HN 0.351 nan 8.250 nan 0.000 0.429 278 Y N 0.475 120.839 120.300 0.107 0.000 2.446 278 Y HA 0.555 5.105 4.550 -0.000 0.000 0.345 278 Y C -0.126 175.820 175.900 0.077 0.000 0.984 278 Y CA -1.131 57.016 58.100 0.078 0.000 1.058 278 Y CB 1.796 40.300 38.460 0.074 0.000 1.220 278 Y HN 0.095 nan 8.280 nan 0.000 0.455 279 V N 3.025 123.067 119.914 0.213 0.000 2.709 279 V HA 0.569 4.689 4.120 -0.000 0.000 0.308 279 V C -1.017 175.169 176.094 0.153 0.000 1.062 279 V CA -0.960 61.442 62.300 0.170 0.000 0.901 279 V CB 2.056 33.964 31.823 0.141 0.000 1.003 279 V HN 0.520 nan 8.190 nan 0.000 0.425 280 V N 5.895 125.885 119.914 0.127 0.000 2.349 280 V HA 0.405 4.525 4.120 -0.000 0.000 0.284 280 V C -2.527 173.524 176.094 -0.071 0.000 1.014 280 V CA -1.871 60.457 62.300 0.046 0.000 0.826 280 V CB 1.776 33.616 31.823 0.029 0.000 1.009 280 V HN 0.735 nan 8.190 nan 0.000 0.431 281 P HA 0.301 nan 4.420 nan 0.000 0.276 281 P C -0.697 176.432 177.300 -0.285 0.000 1.230 281 P CA -0.138 62.674 63.100 -0.480 0.000 0.776 281 P CB 1.149 32.720 31.700 -0.214 0.000 0.888 282 V N 3.349 123.071 119.914 -0.321 0.000 2.417 282 V HA 0.192 4.311 4.120 -0.000 0.000 0.291 282 V C 0.233 176.255 176.094 -0.120 0.000 1.024 282 V CA -0.811 61.395 62.300 -0.156 0.000 0.861 282 V CB 1.070 32.828 31.823 -0.109 0.000 0.985 282 V HN 0.519 nan 8.190 nan 0.000 0.436 283 E N 2.567 122.724 120.200 -0.071 0.000 2.442 283 E HA 0.071 4.420 4.350 -0.000 0.000 0.262 283 E C 1.103 177.683 176.600 -0.034 0.000 1.004 283 E CA 0.346 56.719 56.400 -0.045 0.000 0.928 283 E CB 0.213 29.896 29.700 -0.028 0.000 0.937 283 E HN 0.695 nan 8.360 nan 0.000 0.446 284 S N 1.324 117.009 115.700 -0.024 0.000 2.447 284 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 284 S C 0.938 175.534 174.600 -0.007 0.000 1.006 284 S CA 0.451 58.643 58.200 -0.013 0.000 0.957 284 S CB 0.059 63.251 63.200 -0.013 0.000 0.773 284 S HN 0.464 nan 8.310 nan 0.000 0.507 285 S N 0.476 116.169 115.700 -0.011 0.000 2.482 285 S HA 0.562 5.032 4.470 -0.000 0.000 0.303 285 S C -0.395 174.202 174.600 -0.006 0.000 1.091 285 S CA -0.939 57.257 58.200 -0.007 0.000 1.057 285 S CB 0.816 64.011 63.200 -0.009 0.000 1.031 285 S HN 0.409 nan 8.310 nan 0.000 0.485 286 L N 3.992 125.214 121.223 -0.003 0.000 2.461 286 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 286 L C 1.352 178.222 176.870 0.000 0.000 1.197 286 L CA -0.037 54.800 54.840 -0.004 0.000 0.836 286 L CB 0.236 42.294 42.059 -0.001 0.000 1.105 286 L HN 0.926 nan 8.230 nan 0.000 0.477 287 G N 1.605 110.405 108.800 -0.000 0.000 2.572 287 G HA2 0.072 4.032 3.960 -0.000 0.000 0.261 287 G HA3 0.072 4.032 3.960 -0.000 0.000 0.261 287 G C 0.612 175.521 174.900 0.016 0.000 1.197 287 G CA -0.368 44.736 45.100 0.007 0.000 0.870 287 G HN 0.771 nan 8.290 nan 0.000 0.548 288 K N -0.135 120.281 120.400 0.027 0.000 2.034 288 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 288 K C 2.221 178.849 176.600 0.047 0.000 1.051 288 K CA 2.127 58.441 56.287 0.046 0.000 0.931 288 K CB -0.134 32.403 32.500 0.061 0.000 0.715 288 K HN 0.492 nan 8.250 nan 0.000 0.446 289 E N 0.410 120.633 120.200 0.039 0.000 2.051 289 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 289 E C 1.951 178.562 176.600 0.018 0.000 0.991 289 E CA 1.032 57.453 56.400 0.034 0.000 0.799 289 E CB -0.075 29.640 29.700 0.026 0.000 0.748 289 E HN 0.254 nan 8.360 nan 0.000 0.449 290 K N -0.050 120.353 120.400 0.006 0.000 2.097 290 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 290 K C 2.146 178.747 176.600 0.002 0.000 1.050 290 K CA 0.988 57.268 56.287 -0.011 0.000 0.938 290 K CB -0.594 31.889 32.500 -0.028 0.000 0.718 290 K HN 0.192 nan 8.250 nan 0.000 0.442 291 G N 1.484 110.294 108.800 0.017 0.000 2.421 291 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 291 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 291 G C 1.682 176.611 174.900 0.048 0.000 1.171 291 G CA 0.449 45.569 45.100 0.033 0.000 0.775 291 G HN 0.160 nan 8.290 nan 0.000 0.543 292 L N 0.076 121.319 121.223 0.035 0.000 2.083 292 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 292 L C 2.749 179.647 176.870 0.047 0.000 1.083 292 L CA 1.409 56.264 54.840 0.025 0.000 0.752 292 L CB -0.371 41.681 42.059 -0.011 0.000 0.899 292 L HN 0.304 nan 8.230 nan 0.000 0.433 293 E N 0.687 120.907 120.200 0.034 0.000 2.110 293 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 293 E C 2.330 178.956 176.600 0.044 0.000 0.988 293 E CA 1.099 57.515 56.400 0.027 0.000 0.804 293 E CB 0.011 29.709 29.700 -0.003 0.000 0.745 293 E HN 0.475 nan 8.360 nan 0.000 0.458 294 I N 0.976 121.583 120.570 0.062 0.000 2.127 294 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 294 I C 2.479 178.750 176.117 0.257 0.000 1.075 294 I CA 0.990 62.367 61.300 0.127 0.000 1.334 294 I CB -0.283 37.810 38.000 0.155 0.000 1.040 294 I HN 0.205 nan 8.210 nan 0.000 0.405 295 L N 0.485 121.845 121.223 0.228 0.000 2.013 295 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 295 L C 2.842 179.874 176.870 0.269 0.000 1.073 295 L CA 2.045 57.044 54.840 0.264 0.000 0.753 295 L CB -0.874 41.329 42.059 0.241 0.000 0.890 295 L HN 0.423 nan 8.230 nan 0.000 0.432 296 S N -0.244 115.565 115.700 0.183 0.000 2.419 296 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 296 S C 1.900 176.567 174.600 0.111 0.000 1.016 296 S CA 0.872 59.158 58.200 0.143 0.000 0.974 296 S CB -0.494 62.755 63.200 0.082 0.000 0.786 296 S HN 0.384 nan 8.310 nan 0.000 0.492 297 L N -0.988 120.279 121.223 0.074 0.000 2.131 297 L HA 0.136 4.476 4.340 -0.000 0.000 0.206 297 L C 2.405 179.246 176.870 -0.049 0.000 1.087 297 L CA 0.922 55.752 54.840 -0.017 0.000 0.767 297 L CB -0.521 41.483 42.059 -0.092 0.000 0.917 297 L HN 0.220 nan 8.230 nan 0.000 0.441 298 F N 0.251 120.222 119.950 0.034 0.000 2.102 298 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 298 F C 2.289 178.101 175.800 0.020 0.000 1.105 298 F CA 1.881 59.890 58.000 0.016 0.000 1.239 298 F CB -0.473 38.524 39.000 -0.005 0.000 0.991 298 F HN -0.064 nan 8.300 nan 0.000 0.474 299 V N -1.971 118.096 119.914 0.256 0.000 3.649 299 V HA 0.190 4.310 4.120 -0.000 0.000 0.275 299 V C 0.643 176.822 176.094 0.142 0.000 1.281 299 V CA 0.598 63.014 62.300 0.193 0.000 1.143 299 V CB -1.270 30.710 31.823 0.262 0.000 0.892 299 V HN 0.575 nan 8.190 nan 0.000 0.441 300 N N 1.196 119.959 118.700 0.106 0.000 2.727 300 N HA -0.209 4.531 4.740 -0.000 0.000 0.251 300 N C -0.364 175.188 175.510 0.069 0.000 1.040 300 N CA 1.575 54.664 53.050 0.064 0.000 0.712 300 N CB -1.335 37.177 38.487 0.042 0.000 0.912 300 N HN 0.962 nan 8.380 nan 0.000 0.545 301 M N -2.032 117.617 119.600 0.082 0.000 2.618 301 M HA 0.482 4.962 4.480 -0.000 0.000 0.281 301 M C -0.156 176.174 176.300 0.050 0.000 1.267 301 M CA -1.105 54.233 55.300 0.065 0.000 0.845 301 M CB 1.593 34.238 32.600 0.076 0.000 1.732 301 M HN -0.135 nan 8.290 nan 0.000 0.461 302 K N 1.129 121.548 120.400 0.032 0.000 2.414 302 K HA 0.115 4.435 4.320 -0.000 0.000 0.272 302 K C 0.590 177.203 176.600 0.021 0.000 0.993 302 K CA -0.047 56.254 56.287 0.024 0.000 0.964 302 K CB 0.796 33.306 32.500 0.015 0.000 0.925 302 K HN 0.616 nan 8.250 nan 0.000 0.487 303 K N 1.395 121.808 120.400 0.021 0.000 2.103 303 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 303 K C 1.698 178.302 176.600 0.006 0.000 1.048 303 K CA 1.738 58.033 56.287 0.015 0.000 0.930 303 K CB -0.075 32.438 32.500 0.021 0.000 0.716 303 K HN 0.694 nan 8.250 nan 0.000 0.444 304 A N 0.906 123.733 122.820 0.013 0.000 2.206 304 A HA -0.082 4.237 4.320 -0.000 0.000 0.211 304 A C 0.733 178.315 177.584 -0.003 0.000 1.158 304 A CA 1.172 53.218 52.037 0.014 0.000 0.761 304 A CB 0.056 19.065 19.000 0.015 0.000 0.801 304 A HN 0.195 nan 8.150 nan 0.000 0.473 305 D N -0.569 119.823 120.400 -0.014 0.000 2.363 305 D HA 0.209 4.849 4.640 -0.000 0.000 0.214 305 D C 0.229 176.486 176.300 -0.073 0.000 1.093 305 D CA -0.038 53.944 54.000 -0.029 0.000 0.837 305 D CB 0.068 40.863 40.800 -0.009 0.000 0.948 305 D HN 0.347 nan 8.370 nan 0.000 0.507 306 L N 2.648 123.809 121.223 -0.103 0.000 2.456 306 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 306 L C -1.562 175.096 176.870 -0.354 0.000 1.189 306 L CA -1.271 53.425 54.840 -0.240 0.000 0.846 306 L CB 0.249 42.164 42.059 -0.240 0.000 1.111 306 L HN -0.122 nan 8.230 nan 0.000 0.475 307 P HA 0.015 nan 4.420 nan 0.000 0.274 307 P C 0.055 177.115 177.300 -0.399 0.000 1.260 307 P CA -0.468 62.301 63.100 -0.551 0.000 0.793 307 P CB 0.471 31.655 31.700 -0.860 0.000 1.048 308 E N 0.162 120.247 120.200 -0.191 0.000 2.204 308 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 308 E C 1.464 178.073 176.600 0.014 0.000 0.989 308 E CA 1.043 57.437 56.400 -0.009 0.000 0.824 308 E CB -0.487 29.215 29.700 0.004 0.000 0.756 308 E HN 0.245 nan 8.360 nan 0.000 0.477 309 Q N 0.864 120.624 119.800 -0.068 0.000 2.226 309 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 309 Q C 2.136 178.205 176.000 0.115 0.000 0.975 309 Q CA 1.670 57.519 55.803 0.076 0.000 0.866 309 Q CB -0.367 28.507 28.738 0.227 0.000 0.915 309 Q HN 0.510 nan 8.270 nan 0.000 0.440 310 A N 0.119 122.874 122.820 -0.110 0.000 1.917 310 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 310 A C 1.555 179.096 177.584 -0.071 0.000 1.182 310 A CA 1.994 54.009 52.037 -0.037 0.000 0.633 310 A CB -0.813 17.974 19.000 -0.354 0.000 0.819 310 A HN 0.523 nan 8.150 nan 0.000 0.448 311 H N -0.633 118.456 119.070 0.033 0.000 2.389 311 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 311 H C 2.540 177.895 175.328 0.045 0.000 1.081 311 H CA 1.515 57.582 56.048 0.032 0.000 1.345 311 H CB -0.051 29.713 29.762 0.004 0.000 1.393 311 H HN 0.464 nan 8.280 nan 0.000 0.520 312 S N 0.127 115.925 115.700 0.164 0.000 2.383 312 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 312 S C 2.175 176.836 174.600 0.101 0.000 1.026 312 S CA 0.971 59.240 58.200 0.115 0.000 0.981 312 S CB -0.135 63.126 63.200 0.101 0.000 0.818 312 S HN 0.288 nan 8.310 nan 0.000 0.472 313 I N 1.352 121.997 120.570 0.126 0.000 2.226 313 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 313 I C 1.936 178.096 176.117 0.073 0.000 1.100 313 I CA 0.881 62.248 61.300 0.111 0.000 1.374 313 I CB -0.332 37.773 38.000 0.175 0.000 1.057 313 I HN 0.251 nan 8.210 nan 0.000 0.413 314 I N 0.997 121.613 120.570 0.076 0.000 2.226 314 I HA -0.308 3.861 4.170 -0.000 0.000 0.245 314 I C 2.506 178.651 176.117 0.045 0.000 1.100 314 I CA 1.569 62.902 61.300 0.054 0.000 1.374 314 I CB -1.249 36.785 38.000 0.056 0.000 1.057 314 I HN 0.270 nan 8.210 nan 0.000 0.413 315 K N 0.757 121.191 120.400 0.057 0.000 2.044 315 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 315 K C 1.886 178.503 176.600 0.028 0.000 1.049 315 K CA 1.486 57.799 56.287 0.042 0.000 0.927 315 K CB 0.088 32.618 32.500 0.049 0.000 0.713 315 K HN 0.170 nan 8.250 nan 0.000 0.443 316 E N 0.143 120.361 120.200 0.031 0.000 2.204 316 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 316 E C 1.956 178.559 176.600 0.004 0.000 0.989 316 E CA 0.761 57.172 56.400 0.018 0.000 0.824 316 E CB -0.349 29.363 29.700 0.021 0.000 0.756 316 E HN 0.402 nan 8.360 nan 0.000 0.477 317 C N 0.396 119.698 119.300 0.005 0.000 2.500 317 C HA 0.075 4.535 4.460 -0.000 0.000 0.273 317 C C 0.991 175.976 174.990 -0.010 0.000 1.428 317 C CA -0.206 58.807 59.018 -0.007 0.000 1.766 317 C CB -0.705 27.030 27.740 -0.007 0.000 1.817 317 C HN 0.455 nan 8.230 nan 0.000 0.543 318 K N -0.415 119.980 120.400 -0.007 0.000 3.096 318 K HA -0.199 4.121 4.320 -0.000 0.000 0.266 318 K C 0.961 177.551 176.600 -0.016 0.000 1.043 318 K CA 0.303 56.580 56.287 -0.017 0.000 0.758 318 K CB -1.762 30.715 32.500 -0.039 0.000 1.260 318 K HN 0.775 nan 8.250 nan 0.000 0.481 319 G N -0.181 108.617 108.800 -0.003 0.000 2.189 319 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.267 319 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.267 319 G C 0.051 174.953 174.900 0.004 0.000 0.975 319 G CA 0.605 45.705 45.100 0.001 0.000 0.644 319 G HN 0.652 nan 8.290 nan 0.000 0.537 320 S N 1.608 117.311 115.700 0.005 0.000 2.430 320 S HA 0.501 4.971 4.470 -0.000 0.000 0.282 320 S C 0.120 174.726 174.600 0.010 0.000 1.186 320 S CA -0.613 57.596 58.200 0.015 0.000 1.060 320 S CB 1.254 64.474 63.200 0.033 0.000 0.966 320 S HN 0.194 nan 8.310 nan 0.000 0.501 321 P HA -0.122 nan 4.420 nan 0.000 0.219 321 P C 1.519 178.840 177.300 0.035 0.000 1.146 321 P CA 0.452 63.569 63.100 0.028 0.000 0.808 321 P CB 0.083 31.801 31.700 0.031 0.000 0.779 322 L N 0.074 121.299 121.223 0.002 0.000 2.056 322 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 322 L C 2.398 179.256 176.870 -0.019 0.000 1.078 322 L CA 1.697 56.536 54.840 -0.001 0.000 0.749 322 L CB -1.289 40.711 42.059 -0.099 0.000 0.901 322 L HN -0.224 nan 8.230 nan 0.000 0.433 323 V N -1.239 118.656 119.914 -0.031 0.000 2.307 323 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 323 V C 2.523 178.570 176.094 -0.078 0.000 1.045 323 V CA 1.573 63.838 62.300 -0.059 0.000 1.024 323 V CB -0.640 31.162 31.823 -0.036 0.000 0.651 323 V HN 0.322 nan 8.190 nan 0.000 0.449 324 V N 0.093 119.983 119.914 -0.040 0.000 2.332 324 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 324 V C 2.555 178.594 176.094 -0.091 0.000 1.055 324 V CA 2.384 64.661 62.300 -0.039 0.000 1.038 324 V CB -0.847 30.988 31.823 0.019 0.000 0.651 324 V HN 0.552 nan 8.190 nan 0.000 0.450 325 S N -0.038 115.637 115.700 -0.041 0.000 2.368 325 S HA -0.071 4.398 4.470 -0.000 0.000 0.224 325 S C 1.910 176.291 174.600 -0.364 0.000 1.029 325 S CA 1.362 59.514 58.200 -0.079 0.000 0.988 325 S CB -0.340 62.958 63.200 0.164 0.000 0.838 325 S HN 0.468 nan 8.310 nan 0.000 0.462 326 L N 1.075 122.155 121.223 -0.238 0.000 2.042 326 L HA -0.125 4.214 4.340 -0.000 0.000 0.210 326 L C 2.162 178.798 176.870 -0.389 0.000 1.076 326 L CA 0.887 55.556 54.840 -0.285 0.000 0.749 326 L CB -0.553 41.373 42.059 -0.222 0.000 0.893 326 L HN 0.298 nan 8.230 nan 0.000 0.432 327 I N -0.083 120.266 120.570 -0.367 0.000 2.286 327 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 327 I C 2.705 178.527 176.117 -0.493 0.000 1.104 327 I CA 1.568 62.626 61.300 -0.403 0.000 1.397 327 I CB -2.016 35.819 38.000 -0.276 0.000 1.072 327 I HN 0.232 nan 8.210 nan 0.000 0.417 328 G N 0.949 109.402 108.800 -0.578 0.000 2.469 328 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 328 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 328 G C 1.853 176.161 174.900 -0.987 0.000 1.150 328 G CA 1.168 45.815 45.100 -0.756 0.000 0.763 328 G HN 0.490 nan 8.290 nan 0.000 0.561 329 A N 0.441 122.530 122.820 -1.218 0.000 1.898 329 A HA 0.128 4.448 4.320 -0.000 0.000 0.216 329 A C 2.456 179.867 177.584 -0.288 0.000 1.181 329 A CA 1.252 52.912 52.037 -0.629 0.000 0.620 329 A CB -0.416 18.321 19.000 -0.437 0.000 0.819 329 A HN 0.355 nan 8.150 nan 0.000 0.442 330 L N -0.750 120.281 121.223 -0.319 0.000 2.012 330 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 330 L C 2.597 179.448 176.870 -0.033 0.000 1.073 330 L CA 1.369 56.099 54.840 -0.182 0.000 0.748 330 L CB -0.506 41.175 42.059 -0.630 0.000 0.891 330 L HN 0.383 nan 8.230 nan 0.000 0.431 331 L N -0.747 120.335 121.223 -0.235 0.000 2.131 331 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 331 L C 2.821 179.623 176.870 -0.113 0.000 1.092 331 L CA 0.986 55.689 54.840 -0.229 0.000 0.759 331 L CB -0.465 41.242 42.059 -0.586 0.000 0.903 331 L HN 0.262 nan 8.230 nan 0.000 0.435 332 R N 0.115 120.567 120.500 -0.080 0.000 2.092 332 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 332 R C 1.413 177.662 176.300 -0.085 0.000 1.119 332 R CA 1.717 57.811 56.100 -0.010 0.000 0.970 332 R CB -0.064 30.294 30.300 0.095 0.000 0.864 332 R HN 0.340 nan 8.270 nan 0.000 0.440 333 D N -0.725 119.579 120.400 -0.160 0.000 2.289 333 D HA -0.037 4.602 4.640 -0.000 0.000 0.207 333 D C -0.241 175.530 176.300 -0.882 0.000 0.966 333 D CA 0.900 54.597 54.000 -0.505 0.000 0.868 333 D CB 0.272 40.707 40.800 -0.610 0.000 0.943 333 D HN 0.172 nan 8.370 nan 0.000 0.514 334 F N -0.523 119.438 119.950 0.018 0.000 2.794 334 F HA 0.290 4.816 4.527 -0.000 0.000 0.353 334 F C -1.947 173.859 175.800 0.010 0.000 1.371 334 F CA -1.730 56.293 58.000 0.038 0.000 1.173 334 F CB 1.734 40.810 39.000 0.128 0.000 1.693 334 F HN -0.232 nan 8.300 nan 0.000 0.606 335 P HA -0.079 nan 4.420 nan 0.000 0.225 335 P C 0.470 177.836 177.300 0.111 0.000 1.148 335 P CA 1.208 64.345 63.100 0.061 0.000 0.779 335 P CB 0.251 31.986 31.700 0.059 0.000 0.780 336 N N -0.479 118.284 118.700 0.105 0.000 2.458 336 N HA 0.129 4.868 4.740 -0.000 0.000 0.274 336 N C 0.318 175.895 175.510 0.110 0.000 1.242 336 N CA -0.004 53.135 53.050 0.148 0.000 0.904 336 N CB 0.067 38.614 38.487 0.100 0.000 1.206 336 N HN 0.000 nan 8.380 nan 0.000 0.510 337 R N -1.024 119.505 120.500 0.048 0.000 2.700 337 R HA 0.164 4.503 4.340 -0.000 0.000 0.399 337 R C 0.400 176.695 176.300 -0.009 0.000 1.115 337 R CA -0.248 55.809 56.100 -0.072 0.000 1.058 337 R CB -0.054 30.061 30.300 -0.309 0.000 1.389 337 R HN 0.264 nan 8.270 nan 0.000 0.582 338 W N 1.448 122.792 121.300 0.074 0.000 2.358 338 W HA -0.168 4.491 4.660 -0.001 0.000 0.303 338 W C 2.256 178.820 176.519 0.075 0.000 1.208 338 W CA 1.293 58.699 57.345 0.101 0.000 1.274 338 W CB 0.031 29.535 29.460 0.074 0.000 1.138 338 W HN 0.190 nan 8.180 nan 0.000 0.515 339 E N -0.471 119.903 120.200 0.290 0.000 2.047 339 E HA -0.273 4.077 4.350 -0.000 0.000 0.191 339 E C 1.985 178.654 176.600 0.115 0.000 0.987 339 E CA 1.621 58.126 56.400 0.175 0.000 0.799 339 E CB -0.975 28.804 29.700 0.131 0.000 0.752 339 E HN 0.357 nan 8.360 nan 0.000 0.449 340 Y N -0.247 120.015 120.300 -0.064 0.000 2.081 340 Y HA -0.312 4.238 4.550 -0.000 0.000 0.280 340 Y C 1.765 177.585 175.900 -0.133 0.000 1.163 340 Y CA 2.186 60.183 58.100 -0.171 0.000 1.135 340 Y CB -0.577 37.663 38.460 -0.367 0.000 0.970 340 Y HN 0.145 nan 8.280 nan 0.000 0.498 341 Y N -0.922 119.338 120.300 -0.066 0.000 2.314 341 Y HA -0.118 4.432 4.550 -0.000 0.000 0.293 341 Y C 2.262 178.088 175.900 -0.124 0.000 1.129 341 Y CA 0.904 58.894 58.100 -0.183 0.000 1.201 341 Y CB -1.091 37.300 38.460 -0.115 0.000 0.999 341 Y HN 0.269 nan 8.280 nan 0.000 0.541 342 L N 0.707 121.999 121.223 0.115 0.000 2.012 342 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 342 L C 2.088 178.971 176.870 0.022 0.000 1.073 342 L CA 1.912 56.805 54.840 0.089 0.000 0.748 342 L CB -0.674 41.464 42.059 0.132 0.000 0.891 342 L HN 0.017 nan 8.230 nan 0.000 0.431 343 K N -0.970 119.419 120.400 -0.019 0.000 2.026 343 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 343 K C 2.134 178.684 176.600 -0.084 0.000 1.048 343 K CA 1.906 58.165 56.287 -0.048 0.000 0.929 343 K CB -0.191 32.275 32.500 -0.056 0.000 0.713 343 K HN 0.501 nan 8.250 nan 0.000 0.439 344 Q N 0.393 120.093 119.800 -0.167 0.000 2.135 344 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 344 Q C 2.136 178.100 176.000 -0.060 0.000 0.981 344 Q CA 1.236 56.951 55.803 -0.147 0.000 0.856 344 Q CB -0.100 28.497 28.738 -0.235 0.000 0.902 344 Q HN 0.316 nan 8.270 nan 0.000 0.425 345 L N 0.194 121.393 121.223 -0.040 0.000 2.093 345 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 345 L C 2.340 179.210 176.870 -0.000 0.000 1.085 345 L CA 1.152 55.982 54.840 -0.017 0.000 0.755 345 L CB -0.155 41.898 42.059 -0.009 0.000 0.904 345 L HN 0.256 nan 8.230 nan 0.000 0.435 346 Q N -0.297 119.503 119.800 0.001 0.000 2.187 346 Q HA -0.122 4.217 4.340 -0.000 0.000 0.199 346 Q C 0.708 176.714 176.000 0.010 0.000 0.957 346 Q CA 0.885 56.694 55.803 0.010 0.000 0.857 346 Q CB -0.044 28.702 28.738 0.013 0.000 0.929 346 Q HN 0.536 nan 8.270 nan 0.000 0.453 347 N N 0.839 119.539 118.700 0.001 0.000 2.949 347 N HA 0.121 4.861 4.740 -0.000 0.000 0.243 347 N C -1.231 174.290 175.510 0.019 0.000 1.113 347 N CA -0.307 52.747 53.050 0.007 0.000 0.980 347 N CB 0.482 38.967 38.487 -0.003 0.000 1.256 347 N HN -0.177 nan 8.380 nan 0.000 0.508 348 K N 1.805 122.227 120.400 0.036 0.000 2.349 348 K HA 0.055 4.375 4.320 -0.000 0.000 0.289 348 K C 0.415 177.065 176.600 0.083 0.000 1.064 348 K CA -0.001 56.326 56.287 0.066 0.000 0.947 348 K CB 1.144 33.690 32.500 0.077 0.000 1.007 348 K HN 0.624 nan 8.250 nan 0.000 0.478 349 Q N 1.681 121.546 119.800 0.109 0.000 2.317 349 Q HA 0.096 4.435 4.340 -0.000 0.000 0.220 349 Q C -0.309 175.774 176.000 0.137 0.000 0.873 349 Q CA -0.206 55.657 55.803 0.100 0.000 0.936 349 Q CB 0.361 29.148 28.738 0.082 0.000 1.105 349 Q HN 0.496 nan 8.270 nan 0.000 0.520 350 F N 2.040 122.027 119.950 0.061 0.000 2.484 350 F HA 0.140 4.667 4.527 -0.000 0.000 0.360 350 F C -0.223 175.610 175.800 0.056 0.000 1.101 350 F CA 0.145 58.192 58.000 0.079 0.000 1.251 350 F CB 0.583 39.672 39.000 0.149 0.000 1.132 350 F HN -0.347 nan 8.300 nan 0.000 0.570 351 K N 5.794 125.813 120.400 -0.634 0.000 2.425 351 K HA 0.313 4.633 4.320 -0.000 0.000 0.259 351 K C -0.652 175.689 176.600 -0.431 0.000 0.978 351 K CA -0.767 55.294 56.287 -0.377 0.000 0.883 351 K CB 1.129 33.462 32.500 -0.278 0.000 1.110 351 K HN 0.419 nan 8.250 nan 0.000 0.436 352 R N 3.839 124.278 120.500 -0.100 0.000 2.242 352 R HA 0.184 4.524 4.340 -0.000 0.000 0.334 352 R C 0.749 177.022 176.300 -0.045 0.000 1.071 352 R CA 0.068 56.161 56.100 -0.012 0.000 0.922 352 R CB 0.331 30.684 30.300 0.089 0.000 1.023 352 R HN 0.707 nan 8.270 nan 0.000 0.458 353 I N 1.805 122.335 120.570 -0.068 0.000 2.235 353 I HA -0.088 4.081 4.170 -0.000 0.000 0.241 353 I C 1.478 177.587 176.117 -0.013 0.000 1.085 353 I CA 0.837 62.111 61.300 -0.044 0.000 1.378 353 I CB -0.048 37.919 38.000 -0.055 0.000 1.076 353 I HN 0.280 nan 8.210 nan 0.000 0.415 354 R N 3.327 123.819 120.500 -0.013 0.000 2.325 354 R HA 0.065 4.405 4.340 -0.000 0.000 0.323 354 R C -0.157 176.161 176.300 0.030 0.000 1.177 354 R CA -0.110 55.996 56.100 0.011 0.000 1.018 354 R CB 0.158 30.463 30.300 0.009 0.000 1.070 354 R HN 0.080 nan 8.270 nan 0.000 0.495 355 K N 3.272 123.711 120.400 0.065 0.000 2.316 355 K HA 0.046 4.366 4.320 -0.000 0.000 0.289 355 K C -0.462 176.234 176.600 0.159 0.000 1.070 355 K CA -0.038 56.319 56.287 0.117 0.000 0.928 355 K CB 1.047 33.605 32.500 0.096 0.000 1.039 355 K HN 0.435 nan 8.250 nan 0.000 0.480 356 S N 2.135 117.993 115.700 0.264 0.000 2.655 356 S HA 0.075 4.545 4.470 -0.000 0.000 0.265 356 S C 1.089 175.817 174.600 0.213 0.000 1.240 356 S CA -0.349 58.023 58.200 0.286 0.000 0.986 356 S CB 1.476 64.966 63.200 0.484 0.000 0.985 356 S HN 0.763 nan 8.310 nan 0.000 0.562 357 S N 0.567 116.378 115.700 0.184 0.000 2.324 357 S HA -0.016 4.454 4.470 -0.000 0.000 0.210 357 S C 1.703 176.374 174.600 0.118 0.000 1.027 357 S CA 1.136 59.415 58.200 0.131 0.000 0.945 357 S CB -0.814 62.454 63.200 0.115 0.000 0.908 357 S HN 0.864 nan 8.310 nan 0.000 0.496 358 S N -0.426 115.354 115.700 0.132 0.000 2.634 358 S HA 0.279 4.749 4.470 -0.000 0.000 0.221 358 S C -0.262 174.412 174.600 0.124 0.000 0.952 358 S CA -0.549 57.710 58.200 0.098 0.000 0.930 358 S CB -0.323 62.921 63.200 0.074 0.000 0.780 358 S HN 0.583 nan 8.310 nan 0.000 0.498 359 Y N 1.149 121.416 120.300 -0.056 0.000 2.470 359 Y HA 0.513 5.063 4.550 -0.000 0.000 0.341 359 Y C -1.584 174.188 175.900 -0.214 0.000 1.021 359 Y CA -1.452 56.529 58.100 -0.199 0.000 1.025 359 Y CB 1.763 39.980 38.460 -0.405 0.000 1.266 359 Y HN 0.141 nan 8.280 nan 0.000 0.448 360 D N 3.600 123.429 120.400 -0.951 0.000 2.396 360 D HA 0.171 4.811 4.640 -0.000 0.000 0.225 360 D C -0.276 175.600 176.300 -0.707 0.000 1.121 360 D CA 0.112 53.756 54.000 -0.594 0.000 0.853 360 D CB 0.469 41.051 40.800 -0.363 0.000 1.043 360 D HN 0.544 nan 8.370 nan 0.000 0.500 361 Y N 1.995 122.258 120.300 -0.062 0.000 2.475 361 Y HA 0.019 4.569 4.550 -0.000 0.000 0.289 361 Y C 2.079 178.045 175.900 0.109 0.000 1.121 361 Y CA 0.396 58.614 58.100 0.197 0.000 1.257 361 Y CB -0.019 38.612 38.460 0.286 0.000 1.026 361 Y HN 0.520 nan 8.280 nan 0.000 0.555 362 E N 0.228 120.544 120.200 0.193 0.000 2.095 362 E HA -0.367 3.983 4.350 -0.000 0.000 0.212 362 E C 2.338 179.000 176.600 0.103 0.000 1.044 362 E CA 1.712 58.201 56.400 0.148 0.000 0.857 362 E CB -0.239 29.508 29.700 0.079 0.000 0.764 362 E HN 0.495 nan 8.360 nan 0.000 0.462 363 A N 0.476 123.326 122.820 0.049 0.000 1.897 363 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 363 A C 2.107 179.694 177.584 0.005 0.000 1.181 363 A CA 1.038 53.084 52.037 0.015 0.000 0.620 363 A CB -0.534 18.461 19.000 -0.008 0.000 0.821 363 A HN 0.263 nan 8.150 nan 0.000 0.443 364 L N 0.159 121.418 121.223 0.060 0.000 2.012 364 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 364 L C 1.744 178.569 176.870 -0.074 0.000 1.073 364 L CA 2.570 57.434 54.840 0.040 0.000 0.748 364 L CB -0.635 41.542 42.059 0.197 0.000 0.891 364 L HN 0.324 nan 8.230 nan 0.000 0.431 365 D N -0.571 119.845 120.400 0.027 0.000 2.104 365 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 365 D C 2.152 178.271 176.300 -0.302 0.000 0.994 365 D CA 1.395 55.315 54.000 -0.134 0.000 0.830 365 D CB 0.031 40.849 40.800 0.031 0.000 0.959 365 D HN 0.394 nan 8.370 nan 0.000 0.452 366 E N 0.294 120.431 120.200 -0.106 0.000 2.072 366 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 366 E C 1.908 178.411 176.600 -0.162 0.000 0.985 366 E CA 1.204 57.563 56.400 -0.069 0.000 0.801 366 E CB -0.344 29.358 29.700 0.004 0.000 0.750 366 E HN 0.178 nan 8.360 nan 0.000 0.452 367 A N 0.451 123.156 122.820 -0.191 0.000 1.908 367 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 367 A C 2.174 179.553 177.584 -0.343 0.000 1.181 367 A CA 1.900 53.794 52.037 -0.238 0.000 0.627 367 A CB -0.498 18.383 19.000 -0.199 0.000 0.818 367 A HN 0.248 nan 8.150 nan 0.000 0.445 368 M N -0.515 118.773 119.600 -0.520 0.000 2.117 368 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 368 M C 2.504 178.400 176.300 -0.673 0.000 1.065 368 M CA 1.863 56.680 55.300 -0.806 0.000 1.114 368 M CB -1.390 30.263 32.600 -1.579 0.000 1.361 368 M HN 0.541 nan 8.290 nan 0.000 0.408 369 S N 0.521 115.907 115.700 -0.524 0.000 2.356 369 S HA -0.085 4.385 4.470 -0.000 0.000 0.223 369 S C 1.915 176.500 174.600 -0.026 0.000 1.032 369 S CA 1.044 59.223 58.200 -0.035 0.000 1.005 369 S CB -0.152 63.123 63.200 0.124 0.000 0.867 369 S HN 0.402 nan 8.310 nan 0.000 0.449 370 I N 0.694 121.204 120.570 -0.100 0.000 2.179 370 I HA -0.127 4.042 4.170 -0.000 0.000 0.242 370 I C 2.771 178.802 176.117 -0.143 0.000 1.088 370 I CA 1.316 62.559 61.300 -0.095 0.000 1.357 370 I CB -0.506 37.406 38.000 -0.146 0.000 1.051 370 I HN 0.330 nan 8.210 nan 0.000 0.409 371 S N 0.381 115.953 115.700 -0.213 0.000 2.356 371 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 371 S C 2.138 176.649 174.600 -0.148 0.000 1.032 371 S CA 1.388 59.460 58.200 -0.214 0.000 1.005 371 S CB -0.246 62.797 63.200 -0.261 0.000 0.867 371 S HN 0.215 nan 8.310 nan 0.000 0.449 372 V N 1.750 121.587 119.914 -0.128 0.000 2.332 372 V HA -0.146 3.973 4.120 -0.000 0.000 0.248 372 V C 2.604 178.708 176.094 0.017 0.000 1.055 372 V CA 2.317 64.592 62.300 -0.041 0.000 1.038 372 V CB -0.870 31.026 31.823 0.121 0.000 0.651 372 V HN 0.537 nan 8.190 nan 0.000 0.450 373 E N -0.133 120.081 120.200 0.022 0.000 2.153 373 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 373 E C 1.882 178.483 176.600 0.002 0.000 0.988 373 E CA 1.303 57.723 56.400 0.033 0.000 0.811 373 E CB -0.158 29.570 29.700 0.047 0.000 0.746 373 E HN 0.390 nan 8.360 nan 0.000 0.466 374 M N 0.250 119.824 119.600 -0.043 0.000 2.561 374 M HA 0.147 4.627 4.480 -0.000 0.000 0.238 374 M C 0.046 176.384 176.300 0.064 0.000 1.131 374 M CA 0.081 55.329 55.300 -0.087 0.000 1.046 374 M CB -0.418 32.004 32.600 -0.297 0.000 1.532 374 M HN 0.043 nan 8.290 nan 0.000 0.497 375 L N 2.480 123.738 121.223 0.059 0.000 2.499 375 L HA 0.039 4.379 4.340 -0.000 0.000 0.273 375 L C 1.082 178.009 176.870 0.094 0.000 1.195 375 L CA -0.093 54.803 54.840 0.095 0.000 0.882 375 L CB 0.118 42.234 42.059 0.095 0.000 1.133 375 L HN 0.360 nan 8.230 nan 0.000 0.483 376 R N 2.599 123.157 120.500 0.097 0.000 2.698 376 R HA 0.011 4.350 4.340 -0.000 0.000 0.266 376 R C 0.413 176.741 176.300 0.047 0.000 1.026 376 R CA -0.587 55.554 56.100 0.069 0.000 1.102 376 R CB 0.639 30.968 30.300 0.048 0.000 0.978 376 R HN 0.510 nan 8.270 nan 0.000 0.436 377 E N 1.618 121.834 120.200 0.027 0.000 2.153 377 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 377 E C 0.916 177.504 176.600 -0.020 0.000 0.988 377 E CA 1.650 58.055 56.400 0.007 0.000 0.811 377 E CB -0.157 29.543 29.700 -0.000 0.000 0.746 377 E HN 0.797 nan 8.360 nan 0.000 0.466 378 D N 0.099 120.488 120.400 -0.018 0.000 2.349 378 D HA -0.076 4.564 4.640 -0.000 0.000 0.224 378 D C 1.729 178.002 176.300 -0.046 0.000 1.029 378 D CA 0.184 54.154 54.000 -0.049 0.000 0.879 378 D CB -0.462 40.329 40.800 -0.016 0.000 0.906 378 D HN 0.434 nan 8.370 nan 0.000 0.528 379 I N -4.236 116.350 120.570 0.025 0.000 4.327 379 I HA 0.276 4.446 4.170 -0.000 0.000 0.331 379 I C 1.479 177.713 176.117 0.195 0.000 1.348 379 I CA -0.659 60.736 61.300 0.159 0.000 1.152 379 I CB 0.281 38.379 38.000 0.163 0.000 1.151 379 I HN -0.277 nan 8.210 nan 0.000 0.410 380 K N 1.769 122.222 120.400 0.089 0.000 2.044 380 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 380 K C 1.316 177.957 176.600 0.069 0.000 1.049 380 K CA 2.319 58.669 56.287 0.105 0.000 0.927 380 K CB -0.221 32.311 32.500 0.054 0.000 0.713 380 K HN 0.347 nan 8.250 nan 0.000 0.443 381 D N -0.043 120.304 120.400 -0.089 0.000 2.117 381 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 381 D C 1.910 178.149 176.300 -0.101 0.000 0.987 381 D CA 1.185 55.098 54.000 -0.145 0.000 0.829 381 D CB -0.321 40.302 40.800 -0.295 0.000 0.961 381 D HN 0.188 nan 8.370 nan 0.000 0.460 382 Y N -0.327 119.930 120.300 -0.071 0.000 2.165 382 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 382 Y C 2.318 178.326 175.900 0.181 0.000 1.155 382 Y CA 0.676 58.664 58.100 -0.187 0.000 1.164 382 Y CB -1.003 37.065 38.460 -0.652 0.000 0.978 382 Y HN 0.092 nan 8.280 nan 0.000 0.513 383 Y N 0.593 120.974 120.300 0.134 0.000 2.200 383 Y HA -0.209 4.341 4.550 -0.000 0.000 0.290 383 Y C 2.467 178.349 175.900 -0.029 0.000 1.137 383 Y CA 1.868 59.851 58.100 -0.195 0.000 1.163 383 Y CB -0.682 37.517 38.460 -0.434 0.000 0.988 383 Y HN 0.067 nan 8.280 nan 0.000 0.518 384 T N 0.182 114.752 114.554 0.026 0.000 2.759 384 T HA -0.189 4.160 4.350 -0.000 0.000 0.269 384 T C 1.348 176.033 174.700 -0.025 0.000 1.042 384 T CA 1.633 63.721 62.100 -0.021 0.000 1.140 384 T CB -0.370 68.516 68.868 0.030 0.000 0.864 384 T HN 0.350 nan 8.240 nan 0.000 0.455 385 D N 1.263 121.720 120.400 0.095 0.000 2.182 385 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 385 D C 1.839 178.166 176.300 0.045 0.000 0.986 385 D CA 0.708 54.802 54.000 0.157 0.000 0.847 385 D CB -0.340 40.754 40.800 0.490 0.000 0.942 385 D HN 0.364 nan 8.370 nan 0.000 0.467 386 L N 0.627 121.836 121.223 -0.024 0.000 2.622 386 L HA -0.041 4.299 4.340 -0.000 0.000 0.233 386 L C 2.009 178.786 176.870 -0.155 0.000 1.156 386 L CA 0.202 54.970 54.840 -0.120 0.000 0.866 386 L CB -0.261 41.658 42.059 -0.232 0.000 0.980 386 L HN -0.103 nan 8.230 nan 0.000 0.448 387 S N 0.980 116.587 115.700 -0.155 0.000 2.465 387 S HA -0.136 4.334 4.470 -0.000 0.000 0.241 387 S C 1.780 176.346 174.600 -0.057 0.000 1.000 387 S CA 1.272 59.412 58.200 -0.101 0.000 0.964 387 S CB -0.288 62.859 63.200 -0.088 0.000 0.763 387 S HN 0.636 nan 8.310 nan 0.000 0.512 388 I N -1.381 119.137 120.570 -0.087 0.000 3.793 388 I HA 0.248 4.417 4.170 -0.000 0.000 0.315 388 I C 0.076 176.270 176.117 0.129 0.000 1.275 388 I CA -0.094 61.160 61.300 -0.076 0.000 1.214 388 I CB -0.244 37.572 38.000 -0.308 0.000 1.018 388 I HN 0.017 nan 8.210 nan 0.000 0.439 389 L N 2.424 123.683 121.223 0.061 0.000 2.456 389 L HA 0.210 4.549 4.340 -0.000 0.000 0.272 389 L C 0.092 176.995 176.870 0.054 0.000 1.189 389 L CA 0.385 55.267 54.840 0.069 0.000 0.846 389 L CB 0.354 42.441 42.059 0.048 0.000 1.111 389 L HN 0.377 nan 8.230 nan 0.000 0.475 390 Q N 2.350 122.139 119.800 -0.018 0.000 2.215 390 Q HA 0.361 4.700 4.340 -0.000 0.000 0.256 390 Q C -0.740 175.230 176.000 -0.050 0.000 0.972 390 Q CA -0.944 54.809 55.803 -0.084 0.000 0.889 390 Q CB 1.777 30.322 28.738 -0.321 0.000 1.281 390 Q HN 0.401 nan 8.270 nan 0.000 0.456 391 K N 1.611 121.984 120.400 -0.045 0.000 2.436 391 K HA -0.045 4.274 4.320 -0.000 0.000 0.275 391 K C -0.575 175.989 176.600 -0.060 0.000 0.999 391 K CA 0.177 56.446 56.287 -0.029 0.000 0.980 391 K CB 0.283 32.760 32.500 -0.040 0.000 0.919 391 K HN 0.615 nan 8.250 nan 0.000 0.484 392 D N -0.560 119.818 120.400 -0.036 0.000 2.945 392 D HA -0.146 4.493 4.640 -0.000 0.000 0.225 392 D C -0.854 175.422 176.300 -0.040 0.000 1.158 392 D CA 0.737 54.706 54.000 -0.051 0.000 0.805 392 D CB -1.366 39.393 40.800 -0.068 0.000 1.098 392 D HN 0.116 nan 8.370 nan 0.000 0.426 393 V N 0.436 120.336 119.914 -0.024 0.000 2.531 393 V HA 0.279 4.398 4.120 -0.000 0.000 0.301 393 V C 0.306 176.445 176.094 0.075 0.000 1.034 393 V CA -0.808 61.496 62.300 0.006 0.000 0.865 393 V CB 2.453 34.203 31.823 -0.122 0.000 0.995 393 V HN -0.090 nan 8.190 nan 0.000 0.424 394 K N 3.796 124.246 120.400 0.084 0.000 2.293 394 K HA 0.626 4.946 4.320 -0.000 0.000 0.267 394 K C -1.005 175.681 176.600 0.143 0.000 1.010 394 K CA -0.561 55.798 56.287 0.120 0.000 0.875 394 K CB 2.119 34.621 32.500 0.003 0.000 1.106 394 K HN 0.442 nan 8.250 nan 0.000 0.450 395 V N 5.712 125.718 119.914 0.153 0.000 2.407 395 V HA 0.233 4.352 4.120 -0.000 0.000 0.278 395 V C -1.832 174.308 176.094 0.077 0.000 1.037 395 V CA -2.019 60.308 62.300 0.045 0.000 0.900 395 V CB 1.077 32.848 31.823 -0.087 0.000 0.983 395 V HN 0.680 nan 8.190 nan 0.000 0.459 396 P HA 0.152 nan 4.420 nan 0.000 0.274 396 P C 0.874 178.222 177.300 0.080 0.000 1.237 396 P CA -0.103 63.040 63.100 0.072 0.000 0.793 396 P CB 0.738 32.464 31.700 0.043 0.000 0.977 397 T N 0.718 115.390 114.554 0.196 0.000 2.699 397 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 397 T C 1.642 176.339 174.700 -0.005 0.000 1.036 397 T CA 2.068 64.272 62.100 0.173 0.000 1.147 397 T CB -0.455 68.542 68.868 0.215 0.000 0.862 397 T HN 0.447 nan 8.240 nan 0.000 0.446 398 K N 1.290 121.690 120.400 0.000 0.000 2.152 398 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 398 K C 1.975 178.525 176.600 -0.083 0.000 1.048 398 K CA 0.956 57.232 56.287 -0.019 0.000 0.933 398 K CB -0.883 31.652 32.500 0.059 0.000 0.721 398 K HN 0.235 nan 8.250 nan 0.000 0.447 399 V N 0.842 120.660 119.914 -0.160 0.000 2.392 399 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 399 V C 2.186 178.093 176.094 -0.312 0.000 1.059 399 V CA 1.858 63.994 62.300 -0.273 0.000 1.051 399 V CB -0.386 31.016 31.823 -0.701 0.000 0.658 399 V HN 0.270 nan 8.190 nan 0.000 0.455 400 L N -1.476 119.509 121.223 -0.397 0.000 2.209 400 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 400 L C 2.553 179.116 176.870 -0.511 0.000 1.094 400 L CA 0.672 55.110 54.840 -0.671 0.000 0.790 400 L CB -0.647 40.927 42.059 -0.808 0.000 0.932 400 L HN 0.329 nan 8.230 nan 0.000 0.447 401 C N 0.216 119.360 119.300 -0.259 0.000 2.401 401 C HA -0.191 4.268 4.460 -0.000 0.000 0.276 401 C C 2.711 177.555 174.990 -0.244 0.000 1.233 401 C CA 0.746 59.678 59.018 -0.145 0.000 1.753 401 C CB -0.683 26.997 27.740 -0.100 0.000 2.029 401 C HN 0.428 nan 8.230 nan 0.000 0.478 402 I N 0.013 120.336 120.570 -0.411 0.000 2.133 402 I HA -0.188 3.982 4.170 -0.000 0.000 0.238 402 I C 2.508 178.494 176.117 -0.217 0.000 1.074 402 I CA 1.204 62.149 61.300 -0.592 0.000 1.342 402 I CB -0.579 37.182 38.000 -0.399 0.000 1.053 402 I HN 0.238 nan 8.210 nan 0.000 0.404 403 L N 0.375 121.475 121.223 -0.205 0.000 2.043 403 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 403 L C 1.736 178.618 176.870 0.021 0.000 1.075 403 L CA 1.996 56.731 54.840 -0.175 0.000 0.752 403 L CB -0.536 41.238 42.059 -0.475 0.000 0.891 403 L HN 0.321 nan 8.230 nan 0.000 0.432 404 W N -0.952 120.366 121.300 0.030 0.000 3.220 404 W HA 0.259 4.919 4.660 -0.000 0.000 0.328 404 W C 0.768 177.334 176.519 0.078 0.000 1.205 404 W CA -0.115 57.278 57.345 0.080 0.000 1.773 404 W CB -0.932 28.546 29.460 0.030 0.000 1.086 404 W HN 0.264 nan 8.180 nan 0.000 0.622 405 D N 0.775 121.317 120.400 0.238 0.000 2.701 405 D HA -0.218 4.422 4.640 -0.000 0.000 0.235 405 D C -0.042 176.388 176.300 0.217 0.000 1.155 405 D CA 1.041 55.194 54.000 0.256 0.000 0.649 405 D CB -1.081 39.864 40.800 0.242 0.000 1.050 405 D HN 0.072 nan 8.370 nan 0.000 0.425 406 M N 0.007 119.717 119.600 0.183 0.000 2.662 406 M HA 0.323 4.803 4.480 -0.000 0.000 0.310 406 M C 0.443 176.804 176.300 0.103 0.000 1.204 406 M CA -0.863 54.519 55.300 0.136 0.000 0.891 406 M CB 1.960 34.638 32.600 0.130 0.000 1.732 406 M HN -0.122 nan 8.290 nan 0.000 0.467 407 E N 0.341 120.587 120.200 0.076 0.000 2.404 407 E HA 0.065 4.415 4.350 -0.000 0.000 0.261 407 E C 0.606 177.229 176.600 0.039 0.000 1.074 407 E CA -0.089 56.345 56.400 0.057 0.000 0.917 407 E CB 0.763 30.487 29.700 0.040 0.000 0.965 407 E HN 0.612 nan 8.360 nan 0.000 0.433 408 T N 2.190 116.761 114.554 0.030 0.000 2.665 408 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 408 T C 1.397 176.102 174.700 0.008 0.000 1.035 408 T CA 1.737 63.847 62.100 0.017 0.000 1.151 408 T CB -0.166 68.703 68.868 0.002 0.000 0.862 408 T HN 0.441 nan 8.240 nan 0.000 0.438 409 E N 0.737 120.937 120.200 0.000 0.000 2.077 409 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 409 E C 2.244 178.838 176.600 -0.011 0.000 0.989 409 E CA 1.032 57.428 56.400 -0.008 0.000 0.800 409 E CB -0.149 29.546 29.700 -0.009 0.000 0.746 409 E HN 0.570 nan 8.360 nan 0.000 0.452 410 E N -0.131 120.062 120.200 -0.012 0.000 2.072 410 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 410 E C 1.952 178.521 176.600 -0.052 0.000 0.985 410 E CA 0.974 57.352 56.400 -0.037 0.000 0.801 410 E CB 0.170 29.851 29.700 -0.030 0.000 0.750 410 E HN 0.054 nan 8.360 nan 0.000 0.452 411 V N 1.167 121.084 119.914 0.005 0.000 2.295 411 V HA -0.264 3.855 4.120 -0.000 0.000 0.246 411 V C 2.009 178.121 176.094 0.030 0.000 1.049 411 V CA 2.081 64.423 62.300 0.069 0.000 1.024 411 V CB -0.436 31.446 31.823 0.099 0.000 0.648 411 V HN 0.279 nan 8.190 nan 0.000 0.447 412 E N -0.376 119.848 120.200 0.041 0.000 2.150 412 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 412 E C 1.939 178.573 176.600 0.057 0.000 0.985 412 E CA 1.184 57.652 56.400 0.114 0.000 0.814 412 E CB -0.128 29.671 29.700 0.164 0.000 0.752 412 E HN 0.593 nan 8.360 nan 0.000 0.466 413 D N 0.609 120.998 120.400 -0.019 0.000 2.097 413 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 413 D C 1.949 178.150 176.300 -0.164 0.000 0.984 413 D CA 0.843 54.797 54.000 -0.077 0.000 0.826 413 D CB -0.134 40.616 40.800 -0.083 0.000 0.973 413 D HN 0.164 nan 8.370 nan 0.000 0.460 414 I N 0.614 121.052 120.570 -0.220 0.000 2.179 414 I HA -0.249 3.920 4.170 -0.000 0.000 0.242 414 I C 2.410 178.200 176.117 -0.546 0.000 1.088 414 I CA 0.793 61.849 61.300 -0.407 0.000 1.357 414 I CB -0.172 37.535 38.000 -0.488 0.000 1.051 414 I HN -0.027 nan 8.210 nan 0.000 0.409 415 L N -0.062 121.017 121.223 -0.239 0.000 2.131 415 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 415 L C 2.607 179.464 176.870 -0.021 0.000 1.092 415 L CA 1.023 55.807 54.840 -0.094 0.000 0.759 415 L CB -0.543 41.371 42.059 -0.242 0.000 0.903 415 L HN 0.300 nan 8.230 nan 0.000 0.435 416 Q N 0.613 120.397 119.800 -0.027 0.000 2.124 416 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 416 Q C 1.959 177.904 176.000 -0.092 0.000 0.977 416 Q CA 1.571 57.371 55.803 -0.004 0.000 0.850 416 Q CB -0.035 28.661 28.738 -0.069 0.000 0.901 416 Q HN 0.437 nan 8.270 nan 0.000 0.429 417 E N -0.824 119.240 120.200 -0.227 0.000 2.085 417 E HA -0.182 4.167 4.350 -0.000 0.000 0.194 417 E C 1.659 178.170 176.600 -0.147 0.000 0.994 417 E CA 1.207 57.459 56.400 -0.248 0.000 0.801 417 E CB -0.222 29.249 29.700 -0.382 0.000 0.743 417 E HN 0.392 nan 8.360 nan 0.000 0.453 418 F N 0.390 120.314 119.950 -0.043 0.000 2.146 418 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 418 F C 2.406 178.141 175.800 -0.107 0.000 1.096 418 F CA 0.497 58.447 58.000 -0.084 0.000 1.275 418 F CB -1.160 37.855 39.000 0.026 0.000 1.008 418 F HN -0.139 nan 8.300 nan 0.000 0.480 419 V N 0.465 120.453 119.914 0.123 0.000 2.343 419 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 419 V C 2.119 178.196 176.094 -0.029 0.000 1.051 419 V CA 1.892 64.194 62.300 0.004 0.000 1.036 419 V CB -0.677 31.224 31.823 0.131 0.000 0.654 419 V HN 0.311 nan 8.190 nan 0.000 0.451 420 N N 0.222 118.925 118.700 0.005 0.000 2.453 420 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 420 N C 1.540 177.068 175.510 0.030 0.000 1.041 420 N CA 0.962 54.022 53.050 0.017 0.000 0.900 420 N CB -0.174 38.303 38.487 -0.016 0.000 0.961 420 N HN 0.527 nan 8.380 nan 0.000 0.443 421 K N 0.002 120.392 120.400 -0.017 0.000 2.387 421 K HA 0.209 4.529 4.320 -0.000 0.000 0.198 421 K C 0.183 176.717 176.600 -0.109 0.000 1.022 421 K CA -0.030 56.222 56.287 -0.058 0.000 1.128 421 K CB 0.454 32.917 32.500 -0.061 0.000 0.853 421 K HN -0.153 nan 8.250 nan 0.000 0.523 422 S N 0.480 116.108 115.700 -0.121 0.000 3.561 422 S HA -0.150 4.320 4.470 -0.000 0.000 0.318 422 S C 0.608 175.056 174.600 -0.253 0.000 1.181 422 S CA 0.454 58.522 58.200 -0.220 0.000 0.916 422 S CB -1.400 61.775 63.200 -0.042 0.000 0.966 422 S HN 0.366 nan 8.310 nan 0.000 0.550 423 L N -0.906 120.186 121.223 -0.218 0.000 2.607 423 L HA 0.428 4.768 4.340 -0.000 0.000 0.228 423 L C 0.222 177.099 176.870 0.012 0.000 1.123 423 L CA 0.334 55.098 54.840 -0.126 0.000 0.890 423 L CB 0.350 42.202 42.059 -0.345 0.000 1.103 423 L HN 0.377 nan 8.230 nan 0.000 0.468 424 L N -1.357 119.726 121.223 -0.234 0.000 2.653 424 L HA 0.514 4.854 4.340 -0.000 0.000 0.257 424 L C -1.709 174.768 176.870 -0.655 0.000 0.969 424 L CA -0.329 54.437 54.840 -0.122 0.000 0.869 424 L CB 1.948 44.125 42.059 0.196 0.000 1.439 424 L HN -0.261 nan 8.230 nan 0.000 0.414 425 F N 1.956 121.796 119.950 -0.183 0.000 2.561 425 F HA 0.744 5.271 4.527 -0.000 0.000 0.321 425 F C -0.217 175.355 175.800 -0.379 0.000 1.065 425 F CA -0.651 57.082 58.000 -0.444 0.000 0.934 425 F CB 1.994 40.390 39.000 -1.006 0.000 1.215 425 F HN 0.556 nan 8.300 nan 0.000 0.471 426 C N 2.336 121.558 119.300 -0.131 0.000 2.446 426 C HA 0.573 5.033 4.460 -0.000 0.000 0.329 426 C C -1.436 173.393 174.990 -0.269 0.000 1.166 426 C CA -0.607 58.252 59.018 -0.265 0.000 1.341 426 C CB 0.175 27.722 27.740 -0.321 0.000 1.970 426 C HN 0.753 nan 8.230 nan 0.000 0.452 427 D N 4.003 124.292 120.400 -0.186 0.000 2.233 427 D HA 0.446 5.086 4.640 -0.000 0.000 0.240 427 D C -0.378 175.675 176.300 -0.413 0.000 1.074 427 D CA -0.086 53.769 54.000 -0.241 0.000 0.838 427 D CB 1.258 41.976 40.800 -0.136 0.000 1.124 427 D HN 0.497 nan 8.370 nan 0.000 0.475 428 R N 1.798 122.003 120.500 -0.492 0.000 2.265 428 R HA 0.356 4.696 4.340 -0.000 0.000 0.328 428 R C -0.280 175.844 176.300 -0.294 0.000 0.969 428 R CA -0.669 55.125 56.100 -0.510 0.000 0.832 428 R CB 0.520 30.394 30.300 -0.710 0.000 1.139 428 R HN 0.095 nan 8.270 nan 0.000 0.457 429 N N 2.173 120.763 118.700 -0.184 0.000 2.800 429 N HA 0.296 5.036 4.740 -0.000 0.000 0.240 429 N C 0.503 175.895 175.510 -0.196 0.000 1.096 429 N CA 0.747 53.689 53.050 -0.180 0.000 0.877 429 N CB 0.835 39.247 38.487 -0.126 0.000 1.138 429 N HN 0.717 nan 8.380 nan 0.000 0.509 430 G N 3.505 112.059 108.800 -0.410 0.000 2.620 430 G HA2 -0.451 3.508 3.960 -0.000 0.000 0.315 430 G HA3 -0.451 3.508 3.960 -0.000 0.000 0.315 430 G C 0.953 175.657 174.900 -0.328 0.000 1.179 430 G CA 1.063 45.697 45.100 -0.776 0.000 0.971 430 G HN 0.671 nan 8.290 nan 0.000 0.544 431 K N 0.062 120.427 120.400 -0.058 0.000 2.305 431 K HA 0.418 4.738 4.320 -0.000 0.000 0.199 431 K C 1.161 177.794 176.600 0.055 0.000 1.047 431 K CA 1.193 57.519 56.287 0.065 0.000 0.976 431 K CB 0.135 32.690 32.500 0.091 0.000 0.765 431 K HN 0.294 nan 8.250 nan 0.000 0.474 432 S N 1.444 117.200 115.700 0.094 0.000 2.448 432 S HA 0.280 4.750 4.470 -0.000 0.000 0.279 432 S C -1.034 173.753 174.600 0.312 0.000 1.195 432 S CA -0.551 57.727 58.200 0.131 0.000 1.051 432 S CB 0.009 63.247 63.200 0.063 0.000 0.948 432 S HN 0.117 nan 8.310 nan 0.000 0.493 433 F N 3.193 123.106 119.950 -0.061 0.000 2.458 433 F HA 0.548 5.074 4.527 -0.000 0.000 0.336 433 F C 0.744 176.401 175.800 -0.239 0.000 1.114 433 F CA -1.248 56.641 58.000 -0.185 0.000 0.987 433 F CB 1.303 40.231 39.000 -0.119 0.000 1.130 433 F HN 0.346 nan 8.300 nan 0.000 0.458 434 R N 2.770 123.121 120.500 -0.248 0.000 2.628 434 R HA 0.547 4.887 4.340 -0.000 0.000 0.288 434 R C -1.770 174.384 176.300 -0.242 0.000 0.980 434 R CA -0.879 55.140 56.100 -0.135 0.000 0.891 434 R CB 2.285 32.577 30.300 -0.012 0.000 1.188 434 R HN 0.502 nan 8.270 nan 0.000 0.450 435 Y N 2.082 122.503 120.300 0.201 0.000 2.468 435 Y HA 0.488 5.038 4.550 -0.000 0.000 0.342 435 Y C -0.351 175.738 175.900 0.315 0.000 1.021 435 Y CA -0.773 57.455 58.100 0.214 0.000 1.079 435 Y CB 1.626 40.175 38.460 0.148 0.000 1.226 435 Y HN 0.524 nan 8.280 nan 0.000 0.460 436 Y N -0.686 119.792 120.300 0.296 0.000 2.638 436 Y HA 0.805 5.354 4.550 -0.000 0.000 0.335 436 Y C -2.261 173.847 175.900 0.347 0.000 1.155 436 Y CA -2.029 56.212 58.100 0.235 0.000 1.046 436 Y CB 0.942 39.486 38.460 0.140 0.000 1.303 436 Y HN 0.461 nan 8.280 nan 0.000 0.460 437 L N 2.471 123.916 121.223 0.371 0.000 2.330 437 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 437 L C 0.006 177.069 176.870 0.323 0.000 1.013 437 L CA -1.189 53.864 54.840 0.354 0.000 0.816 437 L CB 1.549 43.757 42.059 0.248 0.000 1.287 437 L HN 0.781 nan 8.230 nan 0.000 0.435 438 H N 1.379 120.569 119.070 0.199 0.000 2.790 438 H HA -0.025 4.531 4.556 -0.000 0.000 0.358 438 H C -0.016 175.380 175.328 0.113 0.000 1.103 438 H CA 0.175 56.268 56.048 0.075 0.000 1.426 438 H CB 1.412 31.176 29.762 0.003 0.000 1.424 438 H HN 0.670 nan 8.280 nan 0.000 0.599 439 D N 3.839 124.168 120.400 -0.119 0.000 2.157 439 D HA -0.206 4.433 4.640 -0.000 0.000 0.191 439 D C 2.306 178.733 176.300 0.213 0.000 1.004 439 D CA 1.449 55.480 54.000 0.052 0.000 0.854 439 D CB 0.000 40.796 40.800 -0.007 0.000 0.936 439 D HN 0.553 nan 8.370 nan 0.000 0.446 440 L N 0.079 121.521 121.223 0.364 0.000 2.191 440 L HA -0.170 4.169 4.340 -0.000 0.000 0.212 440 L C 2.331 179.376 176.870 0.292 0.000 1.103 440 L CA 1.005 55.997 54.840 0.253 0.000 0.769 440 L CB -0.359 41.715 42.059 0.025 0.000 0.908 440 L HN 0.093 nan 8.230 nan 0.000 0.438 441 Q N -0.788 119.185 119.800 0.289 0.000 2.187 441 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 441 Q C 2.405 178.563 176.000 0.262 0.000 0.957 441 Q CA 0.854 56.823 55.803 0.276 0.000 0.857 441 Q CB 0.017 28.924 28.738 0.282 0.000 0.929 441 Q HN 0.328 nan 8.270 nan 0.000 0.453 442 V N 1.844 121.884 119.914 0.210 0.000 2.287 442 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 442 V C 1.574 177.756 176.094 0.147 0.000 1.053 442 V CA 2.052 64.442 62.300 0.149 0.000 1.027 442 V CB -0.502 31.390 31.823 0.115 0.000 0.646 442 V HN 0.330 nan 8.190 nan 0.000 0.447 443 D N -0.490 120.019 120.400 0.182 0.000 2.104 443 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 443 D C 1.890 178.255 176.300 0.108 0.000 0.994 443 D CA 1.474 55.562 54.000 0.148 0.000 0.830 443 D CB -0.398 40.544 40.800 0.237 0.000 0.959 443 D HN 0.460 nan 8.370 nan 0.000 0.452 444 F N 1.288 121.266 119.950 0.045 0.000 2.095 444 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 444 F C 2.168 177.989 175.800 0.035 0.000 1.104 444 F CA 1.294 59.290 58.000 -0.008 0.000 1.232 444 F CB -0.322 38.653 39.000 -0.042 0.000 0.987 444 F HN -0.105 nan 8.300 nan 0.000 0.475 445 L N -0.768 120.490 121.223 0.058 0.000 2.093 445 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 445 L C 2.374 179.188 176.870 -0.092 0.000 1.085 445 L CA 1.615 56.421 54.840 -0.056 0.000 0.755 445 L CB -1.025 41.044 42.059 0.016 0.000 0.904 445 L HN 0.149 nan 8.230 nan 0.000 0.435 446 T N -0.974 113.561 114.554 -0.031 0.000 2.777 446 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 446 T C 1.728 176.403 174.700 -0.041 0.000 1.040 446 T CA 1.564 63.658 62.100 -0.010 0.000 1.141 446 T CB 0.006 68.894 68.868 0.033 0.000 0.868 446 T HN 0.261 nan 8.240 nan 0.000 0.444 447 E N 1.580 121.739 120.200 -0.069 0.000 2.015 447 E HA -0.071 4.278 4.350 -0.000 0.000 0.191 447 E C 2.176 178.724 176.600 -0.086 0.000 0.991 447 E CA 1.445 57.808 56.400 -0.063 0.000 0.802 447 E CB -0.240 29.451 29.700 -0.015 0.000 0.759 447 E HN 0.347 nan 8.360 nan 0.000 0.447 448 K N -0.371 119.926 120.400 -0.171 0.000 2.074 448 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 448 K C 0.546 177.086 176.600 -0.099 0.000 1.048 448 K CA 1.651 57.844 56.287 -0.157 0.000 0.926 448 K CB -0.060 32.176 32.500 -0.439 0.000 0.713 448 K HN 0.137 nan 8.250 nan 0.000 0.444 449 N N 0.314 118.958 118.700 -0.094 0.000 2.275 449 N HA -0.009 4.731 4.740 -0.000 0.000 0.236 449 N C 0.999 176.488 175.510 -0.034 0.000 1.154 449 N CA 0.088 53.107 53.050 -0.051 0.000 0.866 449 N CB 0.121 38.581 38.487 -0.044 0.000 1.093 449 N HN 0.258 nan 8.380 nan 0.000 0.515 450 C N 1.243 120.521 119.300 -0.037 0.000 2.375 450 C HA -0.214 4.246 4.460 -0.000 0.000 0.274 450 C C 2.923 177.910 174.990 -0.005 0.000 1.190 450 C CA 2.182 61.191 59.018 -0.016 0.000 1.775 450 C CB -1.023 26.703 27.740 -0.023 0.000 2.067 450 C HN 0.568 nan 8.230 nan 0.000 0.463 451 S N -0.702 114.989 115.700 -0.014 0.000 2.481 451 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 451 S C 1.653 176.254 174.600 0.000 0.000 0.996 451 S CA 1.248 59.443 58.200 -0.007 0.000 0.942 451 S CB -0.626 62.565 63.200 -0.015 0.000 0.768 451 S HN 0.882 nan 8.310 nan 0.000 0.520 452 Q N 0.090 119.889 119.800 -0.001 0.000 2.356 452 Q HA 0.347 4.687 4.340 -0.000 0.000 0.205 452 Q C 1.773 177.780 176.000 0.012 0.000 0.901 452 Q CA -0.010 55.795 55.803 0.003 0.000 0.938 452 Q CB -0.071 28.665 28.738 -0.004 0.000 1.081 452 Q HN 0.517 nan 8.270 nan 0.000 0.517 453 L N 0.669 121.908 121.223 0.026 0.000 2.012 453 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 453 L C 2.625 179.568 176.870 0.122 0.000 1.073 453 L CA 1.551 56.425 54.840 0.056 0.000 0.748 453 L CB -0.463 41.655 42.059 0.098 0.000 0.891 453 L HN 0.356 nan 8.230 nan 0.000 0.431 454 Q N -0.001 119.863 119.800 0.107 0.000 2.096 454 Q HA -0.256 4.083 4.340 -0.000 0.000 0.204 454 Q C 1.685 177.734 176.000 0.082 0.000 0.982 454 Q CA 1.940 57.803 55.803 0.101 0.000 0.850 454 Q CB 0.068 28.830 28.738 0.041 0.000 0.901 454 Q HN 0.461 nan 8.270 nan 0.000 0.422 455 D N -0.022 120.405 120.400 0.045 0.000 2.224 455 D HA -0.080 4.559 4.640 -0.000 0.000 0.205 455 D C 1.938 178.253 176.300 0.025 0.000 0.965 455 D CA 0.644 54.661 54.000 0.029 0.000 0.852 455 D CB 0.055 40.865 40.800 0.017 0.000 0.947 455 D HN 0.322 nan 8.370 nan 0.000 0.494 456 L N 0.207 121.433 121.223 0.006 0.000 2.044 456 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 456 L C 2.494 179.330 176.870 -0.058 0.000 1.075 456 L CA 0.891 55.706 54.840 -0.042 0.000 0.747 456 L CB -0.534 41.466 42.059 -0.098 0.000 0.903 456 L HN 0.120 nan 8.230 nan 0.000 0.435 457 H N 0.439 119.528 119.070 0.031 0.000 2.352 457 H HA -0.212 4.344 4.556 -0.000 0.000 0.299 457 H C 2.244 177.570 175.328 -0.004 0.000 1.097 457 H CA 1.775 57.848 56.048 0.041 0.000 1.311 457 H CB -0.017 29.760 29.762 0.025 0.000 1.377 457 H HN 0.269 nan 8.280 nan 0.000 0.504 458 K N 1.320 121.782 120.400 0.103 0.000 2.103 458 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 458 K C 2.269 178.884 176.600 0.026 0.000 1.048 458 K CA 1.302 57.609 56.287 0.034 0.000 0.930 458 K CB 0.092 32.600 32.500 0.012 0.000 0.716 458 K HN 0.080 nan 8.250 nan 0.000 0.444 459 K N 0.771 121.189 120.400 0.030 0.000 2.032 459 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 459 K C 2.131 178.751 176.600 0.035 0.000 1.048 459 K CA 1.612 57.920 56.287 0.036 0.000 0.927 459 K CB -0.154 32.374 32.500 0.046 0.000 0.712 459 K HN 0.259 nan 8.250 nan 0.000 0.441 460 I N 0.922 121.497 120.570 0.008 0.000 2.315 460 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 460 I C 1.710 177.857 176.117 0.049 0.000 1.117 460 I CA 0.714 62.021 61.300 0.012 0.000 1.404 460 I CB 0.073 38.010 38.000 -0.106 0.000 1.071 460 I HN 0.190 nan 8.210 nan 0.000 0.419 461 I N 0.535 121.118 120.570 0.021 0.000 2.202 461 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 461 I C 2.550 178.697 176.117 0.050 0.000 1.091 461 I CA 1.558 62.858 61.300 -0.001 0.000 1.368 461 I CB -1.878 36.096 38.000 -0.042 0.000 1.058 461 I HN 0.208 nan 8.210 nan 0.000 0.410 462 T N 1.006 115.579 114.554 0.032 0.000 2.665 462 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 462 T C 1.889 176.620 174.700 0.053 0.000 1.035 462 T CA 1.338 63.458 62.100 0.033 0.000 1.151 462 T CB -0.118 68.765 68.868 0.025 0.000 0.862 462 T HN 0.325 nan 8.240 nan 0.000 0.438 463 Q N -0.090 119.753 119.800 0.072 0.000 2.123 463 Q HA 0.014 4.353 4.340 -0.000 0.000 0.199 463 Q C 2.099 178.153 176.000 0.089 0.000 0.966 463 Q CA 0.977 56.836 55.803 0.094 0.000 0.845 463 Q CB -0.601 28.188 28.738 0.085 0.000 0.907 463 Q HN 0.622 nan 8.270 nan 0.000 0.439 464 F N 2.182 122.048 119.950 -0.141 0.000 2.126 464 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 464 F C 2.023 177.703 175.800 -0.201 0.000 1.096 464 F CA 1.582 59.393 58.000 -0.315 0.000 1.255 464 F CB -0.021 38.610 39.000 -0.616 0.000 0.997 464 F HN 0.074 nan 8.300 nan 0.000 0.479 465 Q N -0.118 119.656 119.800 -0.043 0.000 2.500 465 Q HA -0.097 4.243 4.340 -0.000 0.000 0.213 465 Q C 1.708 177.600 176.000 -0.180 0.000 0.974 465 Q CA 0.821 56.547 55.803 -0.127 0.000 0.918 465 Q CB -0.085 28.654 28.738 0.002 0.000 0.980 465 Q HN 0.518 nan 8.270 nan 0.000 0.505 466 R N -1.570 118.848 120.500 -0.138 0.000 2.290 466 R HA 0.059 4.399 4.340 -0.000 0.000 0.197 466 R C 0.615 176.734 176.300 -0.301 0.000 0.913 466 R CA 0.469 56.474 56.100 -0.158 0.000 1.040 466 R CB 0.484 30.739 30.300 -0.074 0.000 0.992 466 R HN 0.267 nan 8.270 nan 0.000 0.500 467 Y N -0.925 119.108 120.300 -0.446 0.000 2.581 467 Y HA 0.250 4.800 4.550 -0.000 0.000 0.271 467 Y C 0.735 176.149 175.900 -0.811 0.000 1.100 467 Y CA 0.217 57.960 58.100 -0.594 0.000 1.281 467 Y CB 0.686 38.739 38.460 -0.678 0.000 1.237 467 Y HN -0.061 nan 8.280 nan 0.000 0.514 468 H N -0.744 117.970 119.070 -0.593 0.000 2.949 468 H HA 0.494 5.050 4.556 -0.000 0.000 0.356 468 H C -0.988 173.910 175.328 -0.716 0.000 1.212 468 H CA -0.924 54.695 56.048 -0.715 0.000 1.136 468 H CB 1.445 30.595 29.762 -1.020 0.000 1.869 468 H HN 0.009 nan 8.280 nan 0.000 0.556 469 Q N 0.499 120.102 119.800 -0.329 0.000 2.387 469 Q HA 0.257 4.597 4.340 -0.000 0.000 0.273 469 Q C -1.855 174.044 176.000 -0.168 0.000 1.089 469 Q CA -1.913 53.718 55.803 -0.287 0.000 0.824 469 Q CB 2.566 31.015 28.738 -0.483 0.000 1.367 469 Q HN 0.235 nan 8.270 nan 0.000 0.443 470 P HA -0.250 nan 4.420 nan 0.000 0.216 470 P C 0.725 178.160 177.300 0.224 0.000 1.153 470 P CA 1.557 64.735 63.100 0.129 0.000 0.858 470 P CB 0.028 31.712 31.700 -0.028 0.000 0.789 471 H N -3.231 115.954 119.070 0.192 0.000 2.555 471 H HA 0.175 4.731 4.556 -0.000 0.000 0.269 471 H C 0.810 176.222 175.328 0.140 0.000 0.988 471 H CA 0.970 57.132 56.048 0.189 0.000 1.178 471 H CB -1.100 28.751 29.762 0.149 0.000 1.373 471 H HN 0.011 nan 8.280 nan 0.000 0.588 472 T N 1.399 115.849 114.554 -0.174 0.000 3.086 472 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 472 T C 0.808 175.503 174.700 -0.009 0.000 1.074 472 T CA -0.299 61.747 62.100 -0.089 0.000 0.988 472 T CB -0.094 68.654 68.868 -0.201 0.000 0.988 472 T HN 0.167 nan 8.240 nan 0.000 0.530 473 L N 2.819 124.048 121.223 0.010 0.000 2.380 473 L HA 0.374 4.714 4.340 -0.000 0.000 0.273 473 L C 0.310 177.281 176.870 0.168 0.000 1.138 473 L CA -0.316 54.537 54.840 0.022 0.000 0.832 473 L CB 0.672 42.716 42.059 -0.026 0.000 1.124 473 L HN 0.198 nan 8.230 nan 0.000 0.454 474 S N 1.687 117.483 115.700 0.160 0.000 2.540 474 S HA 0.492 4.962 4.470 -0.000 0.000 0.275 474 S C -2.394 172.306 174.600 0.167 0.000 1.123 474 S CA -1.296 57.005 58.200 0.168 0.000 0.907 474 S CB 2.169 65.442 63.200 0.122 0.000 1.081 474 S HN 0.311 nan 8.310 nan 0.000 0.476 475 P HA -0.021 nan 4.420 nan 0.000 0.230 475 P C 0.964 178.327 177.300 0.105 0.000 1.158 475 P CA 0.796 63.968 63.100 0.120 0.000 0.769 475 P CB -0.140 31.601 31.700 0.068 0.000 0.807 476 D N 0.065 120.526 120.400 0.101 0.000 2.218 476 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 476 D C 0.423 176.788 176.300 0.108 0.000 0.976 476 D CA 0.603 54.659 54.000 0.093 0.000 0.853 476 D CB -0.502 40.349 40.800 0.085 0.000 0.939 476 D HN 0.326 nan 8.370 nan 0.000 0.481 477 Q N 1.038 120.917 119.800 0.132 0.000 2.288 477 Q HA 0.134 4.473 4.340 -0.000 0.000 0.254 477 Q C 0.968 177.063 176.000 0.158 0.000 0.932 477 Q CA -0.357 55.539 55.803 0.155 0.000 0.902 477 Q CB 1.602 30.456 28.738 0.193 0.000 1.203 477 Q HN 0.237 nan 8.270 nan 0.000 0.415 478 E N 2.650 122.938 120.200 0.147 0.000 2.204 478 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 478 E C 0.349 177.026 176.600 0.129 0.000 0.990 478 E CA 1.569 58.042 56.400 0.122 0.000 0.821 478 E CB 0.207 29.968 29.700 0.100 0.000 0.750 478 E HN 0.804 nan 8.360 nan 0.000 0.477 479 D N -0.002 120.501 120.400 0.171 0.000 2.349 479 D HA -0.067 4.573 4.640 -0.000 0.000 0.214 479 D C 1.767 178.193 176.300 0.210 0.000 1.063 479 D CA -0.011 54.070 54.000 0.135 0.000 0.847 479 D CB -0.690 40.234 40.800 0.207 0.000 0.933 479 D HN 0.196 nan 8.370 nan 0.000 0.513 480 C N 0.556 120.017 119.300 0.269 0.000 2.436 480 C HA -0.096 4.363 4.460 -0.000 0.000 0.277 480 C C 2.391 177.617 174.990 0.393 0.000 1.241 480 C CA 0.691 59.917 59.018 0.346 0.000 1.721 480 C CB -0.788 27.128 27.740 0.294 0.000 2.043 480 C HN 0.271 nan 8.230 nan 0.000 0.472 481 M N -0.567 119.196 119.600 0.272 0.000 2.319 481 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 481 M C 1.928 178.305 176.300 0.128 0.000 1.068 481 M CA 1.304 56.728 55.300 0.208 0.000 1.118 481 M CB -1.705 30.954 32.600 0.099 0.000 1.395 481 M HN 0.677 nan 8.290 nan 0.000 0.435 482 Y N -0.291 120.016 120.300 0.012 0.000 2.128 482 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 482 Y C 1.977 177.881 175.900 0.005 0.000 1.154 482 Y CA 1.879 59.960 58.100 -0.032 0.000 1.149 482 Y CB -0.457 37.820 38.460 -0.306 0.000 0.976 482 Y HN 0.159 nan 8.280 nan 0.000 0.505 483 W N -1.833 119.677 121.300 0.349 0.000 2.409 483 W HA -0.177 4.482 4.660 -0.001 0.000 0.299 483 W C 2.101 178.684 176.519 0.107 0.000 1.203 483 W CA 0.789 58.252 57.345 0.197 0.000 1.298 483 W CB -0.855 28.722 29.460 0.195 0.000 1.127 483 W HN 0.023 nan 8.180 nan 0.000 0.528 484 Y N 1.195 121.718 120.300 0.373 0.000 2.165 484 Y HA -0.271 4.278 4.550 -0.000 0.000 0.286 484 Y C 2.228 178.205 175.900 0.127 0.000 1.155 484 Y CA 1.597 59.865 58.100 0.281 0.000 1.164 484 Y CB -0.882 37.628 38.460 0.082 0.000 0.978 484 Y HN -0.032 nan 8.280 nan 0.000 0.513 485 N N -1.330 117.347 118.700 -0.038 0.000 2.300 485 N HA -0.076 4.663 4.740 -0.000 0.000 0.179 485 N C 0.617 175.803 175.510 -0.540 0.000 1.016 485 N CA 1.217 53.947 53.050 -0.533 0.000 0.876 485 N CB -0.192 37.482 38.487 -1.355 0.000 0.979 485 N HN 0.290 nan 8.380 nan 0.000 0.432 486 F N -0.624 119.338 119.950 0.020 0.000 2.856 486 F HA 0.365 4.892 4.527 -0.000 0.000 0.338 486 F C 1.605 177.513 175.800 0.180 0.000 1.100 486 F CA -0.606 57.373 58.000 -0.035 0.000 1.150 486 F CB -0.277 38.411 39.000 -0.521 0.000 1.101 486 F HN -0.142 nan 8.300 nan 0.000 0.548 487 L N 0.242 121.669 121.223 0.339 0.000 2.012 487 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 487 L C 2.584 179.462 176.870 0.013 0.000 1.073 487 L CA 1.763 56.699 54.840 0.161 0.000 0.748 487 L CB -0.344 41.626 42.059 -0.149 0.000 0.891 487 L HN 0.240 nan 8.230 nan 0.000 0.431 488 A N -1.146 121.676 122.820 0.004 0.000 1.930 488 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 488 A C 2.102 179.521 177.584 -0.276 0.000 1.175 488 A CA 1.551 53.521 52.037 -0.111 0.000 0.627 488 A CB -0.949 18.074 19.000 0.038 0.000 0.815 488 A HN 0.574 nan 8.150 nan 0.000 0.443 489 Y N 0.290 120.488 120.300 -0.171 0.000 2.128 489 Y HA -0.300 4.250 4.550 -0.000 0.000 0.284 489 Y C 2.497 178.142 175.900 -0.425 0.000 1.154 489 Y CA 2.401 60.293 58.100 -0.348 0.000 1.149 489 Y CB -0.411 38.043 38.460 -0.011 0.000 0.976 489 Y HN 0.486 nan 8.280 nan 0.000 0.505 490 H N -0.598 118.358 119.070 -0.189 0.000 2.395 490 H HA -0.092 4.463 4.556 -0.000 0.000 0.299 490 H C 2.289 177.421 175.328 -0.326 0.000 1.070 490 H CA 1.803 57.713 56.048 -0.230 0.000 1.356 490 H CB -0.289 29.585 29.762 0.187 0.000 1.401 490 H HN 0.458 nan 8.280 nan 0.000 0.524 491 M N 0.012 119.497 119.600 -0.192 0.000 2.117 491 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 491 M C 2.700 178.782 176.300 -0.365 0.000 1.065 491 M CA 1.507 56.652 55.300 -0.258 0.000 1.114 491 M CB -0.125 32.306 32.600 -0.282 0.000 1.361 491 M HN 0.219 nan 8.290 nan 0.000 0.408 492 A N -0.478 122.003 122.820 -0.564 0.000 1.897 492 A HA -0.100 4.219 4.320 -0.000 0.000 0.215 492 A C 2.250 179.518 177.584 -0.526 0.000 1.181 492 A CA 1.877 53.543 52.037 -0.618 0.000 0.620 492 A CB -0.700 17.644 19.000 -1.094 0.000 0.821 492 A HN 0.436 nan 8.150 nan 0.000 0.443 493 S N 0.154 115.421 115.700 -0.722 0.000 2.399 493 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 493 S C 2.005 176.360 174.600 -0.408 0.000 1.022 493 S CA 1.019 58.780 58.200 -0.731 0.000 0.983 493 S CB -0.324 61.948 63.200 -1.547 0.000 0.803 493 S HN 0.770 nan 8.310 nan 0.000 0.480 494 A N 0.784 123.432 122.820 -0.287 0.000 2.235 494 A HA 0.117 4.437 4.320 -0.000 0.000 0.208 494 A C 0.725 178.246 177.584 -0.103 0.000 1.172 494 A CA 0.256 52.236 52.037 -0.094 0.000 0.786 494 A CB -0.211 18.764 19.000 -0.043 0.000 0.804 494 A HN 0.225 nan 8.150 nan 0.000 0.479 495 K N -1.491 118.822 120.400 -0.144 0.000 3.069 495 K HA -0.195 4.125 4.320 -0.000 0.000 0.267 495 K C -0.254 176.292 176.600 -0.090 0.000 1.082 495 K CA 1.226 57.460 56.287 -0.088 0.000 0.782 495 K CB -2.286 30.200 32.500 -0.023 0.000 1.230 495 K HN 0.681 nan 8.250 nan 0.000 0.488 496 M N 1.899 121.396 119.600 -0.171 0.000 3.422 496 M HA 0.054 4.533 4.480 -0.000 0.000 0.248 496 M C 1.815 177.946 176.300 -0.282 0.000 1.433 496 M CA -0.159 54.994 55.300 -0.245 0.000 1.592 496 M CB 0.045 32.520 32.600 -0.207 0.000 1.078 496 M HN 0.159 nan 8.290 nan 0.000 0.578 497 H N 0.442 119.418 119.070 -0.157 0.000 2.421 497 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 497 H C 1.087 176.304 175.328 -0.184 0.000 1.087 497 H CA 1.188 57.133 56.048 -0.172 0.000 1.330 497 H CB -0.167 29.523 29.762 -0.121 0.000 1.388 497 H HN 0.481 nan 8.280 nan 0.000 0.526 498 K N 0.631 120.792 120.400 -0.398 0.000 2.025 498 K HA -0.119 4.200 4.320 -0.000 0.000 0.207 498 K C 2.251 178.714 176.600 -0.228 0.000 1.049 498 K CA 1.672 57.821 56.287 -0.230 0.000 0.933 498 K CB 0.131 32.490 32.500 -0.235 0.000 0.714 498 K HN 0.234 nan 8.250 nan 0.000 0.438 499 E N 0.943 120.992 120.200 -0.251 0.000 2.106 499 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 499 E C 1.775 178.193 176.600 -0.303 0.000 0.984 499 E CA 0.592 56.849 56.400 -0.239 0.000 0.806 499 E CB -0.122 29.449 29.700 -0.215 0.000 0.750 499 E HN 0.078 nan 8.360 nan 0.000 0.458 500 L N 0.145 121.172 121.223 -0.327 0.000 2.017 500 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 500 L C 1.938 178.485 176.870 -0.539 0.000 1.073 500 L CA 1.671 56.275 54.840 -0.394 0.000 0.745 500 L CB -0.493 41.361 42.059 -0.341 0.000 0.894 500 L HN 0.228 nan 8.230 nan 0.000 0.432 501 C N -0.736 118.206 119.300 -0.597 0.000 2.429 501 C HA -0.088 4.371 4.460 -0.000 0.000 0.277 501 C C 2.993 177.618 174.990 -0.608 0.000 1.262 501 C CA 0.607 59.036 59.018 -0.982 0.000 1.733 501 C CB -1.590 25.745 27.740 -0.676 0.000 2.010 501 C HN 0.711 nan 8.230 nan 0.000 0.483 502 A N 0.016 122.632 122.820 -0.340 0.000 1.972 502 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 502 A C 2.026 179.470 177.584 -0.234 0.000 1.169 502 A CA 1.631 53.548 52.037 -0.201 0.000 0.635 502 A CB -0.548 18.366 19.000 -0.143 0.000 0.810 502 A HN 0.520 nan 8.150 nan 0.000 0.446 503 L N -0.768 120.237 121.223 -0.363 0.000 1.988 503 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 503 L C 2.465 179.046 176.870 -0.482 0.000 1.071 503 L CA 2.210 56.742 54.840 -0.513 0.000 0.744 503 L CB -0.438 41.205 42.059 -0.694 0.000 0.893 503 L HN 0.410 nan 8.230 nan 0.000 0.433 504 M N -1.685 117.655 119.600 -0.433 0.000 2.334 504 M HA -0.011 4.469 4.480 -0.000 0.000 0.266 504 M C 0.141 176.468 176.300 0.045 0.000 1.082 504 M CA 0.454 55.637 55.300 -0.195 0.000 1.141 504 M CB -0.000 32.338 32.600 -0.436 0.000 1.380 504 M HN 0.053 nan 8.290 nan 0.000 0.440 505 F N 1.265 120.996 119.950 -0.364 0.000 2.669 505 F HA 0.320 4.847 4.527 -0.000 0.000 0.353 505 F C 0.541 176.099 175.800 -0.404 0.000 1.192 505 F CA -0.720 56.757 58.000 -0.872 0.000 1.317 505 F CB -0.901 37.811 39.000 -0.480 0.000 1.652 505 F HN -0.135 nan 8.300 nan 0.000 0.608 506 S N 1.076 116.798 115.700 0.037 0.000 2.689 506 S HA 0.412 4.881 4.470 -0.000 0.000 0.274 506 S C 0.631 175.468 174.600 0.395 0.000 1.176 506 S CA -0.643 57.712 58.200 0.259 0.000 1.014 506 S CB 0.592 63.921 63.200 0.216 0.000 1.071 506 S HN 0.334 nan 8.310 nan 0.000 0.478 507 L N 2.840 124.280 121.223 0.362 0.000 2.131 507 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 507 L C 1.814 178.833 176.870 0.249 0.000 1.092 507 L CA 1.141 56.164 54.840 0.306 0.000 0.759 507 L CB -0.394 41.774 42.059 0.182 0.000 0.903 507 L HN 0.618 nan 8.230 nan 0.000 0.435 508 D N -0.540 119.998 120.400 0.230 0.000 2.097 508 D HA -0.244 4.396 4.640 -0.000 0.000 0.195 508 D C 1.807 178.273 176.300 0.278 0.000 0.989 508 D CA 1.143 55.270 54.000 0.211 0.000 0.827 508 D CB -0.263 40.650 40.800 0.189 0.000 0.966 508 D HN 0.457 nan 8.370 nan 0.000 0.456 509 W N 1.364 122.755 121.300 0.151 0.000 2.381 509 W HA -0.104 4.556 4.660 -0.000 0.000 0.301 509 W C 1.961 178.593 176.519 0.188 0.000 1.205 509 W CA 0.591 58.036 57.345 0.167 0.000 1.285 509 W CB -0.211 29.325 29.460 0.128 0.000 1.133 509 W HN -0.075 nan 8.180 nan 0.000 0.521 510 I N 0.953 121.667 120.570 0.241 0.000 2.179 510 I HA -0.365 3.804 4.170 -0.000 0.000 0.242 510 I C 2.606 178.723 176.117 0.000 0.000 1.088 510 I CA 1.771 63.158 61.300 0.145 0.000 1.357 510 I CB -0.663 37.553 38.000 0.359 0.000 1.051 510 I HN -0.115 nan 8.210 nan 0.000 0.409 511 K N 1.185 121.608 120.400 0.038 0.000 2.009 511 K HA -0.230 4.089 4.320 -0.000 0.000 0.210 511 K C 2.193 178.693 176.600 -0.168 0.000 1.049 511 K CA 1.774 58.026 56.287 -0.057 0.000 0.929 511 K CB -0.165 32.334 32.500 -0.003 0.000 0.714 511 K HN 0.301 nan 8.250 nan 0.000 0.440 512 A N 1.269 124.014 122.820 -0.125 0.000 1.873 512 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 512 A C 2.062 179.430 177.584 -0.359 0.000 1.186 512 A CA 1.891 53.837 52.037 -0.151 0.000 0.616 512 A CB -0.471 18.558 19.000 0.047 0.000 0.823 512 A HN 0.408 nan 8.150 nan 0.000 0.442 513 K N -0.432 119.669 120.400 -0.499 0.000 2.062 513 K HA -0.121 4.198 4.320 -0.000 0.000 0.205 513 K C 2.147 178.501 176.600 -0.409 0.000 1.051 513 K CA 1.905 57.833 56.287 -0.599 0.000 0.941 513 K CB -0.320 31.773 32.500 -0.677 0.000 0.719 513 K HN 0.599 nan 8.250 nan 0.000 0.440 514 T N -1.436 112.937 114.554 -0.302 0.000 2.867 514 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 514 T C 1.497 176.024 174.700 -0.288 0.000 1.057 514 T CA 1.149 63.113 62.100 -0.227 0.000 1.136 514 T CB -0.215 68.557 68.868 -0.161 0.000 0.874 514 T HN 0.316 nan 8.240 nan 0.000 0.466 515 E N 0.750 120.688 120.200 -0.437 0.000 2.268 515 E HA 0.068 4.418 4.350 -0.000 0.000 0.195 515 E C 2.049 178.438 176.600 -0.352 0.000 0.995 515 E CA 0.651 56.643 56.400 -0.681 0.000 0.836 515 E CB -0.178 28.898 29.700 -1.041 0.000 0.763 515 E HN 0.531 nan 8.360 nan 0.000 0.491 516 L N -0.169 120.855 121.223 -0.331 0.000 2.168 516 L HA -0.022 4.318 4.340 -0.000 0.000 0.203 516 L C 2.049 178.805 176.870 -0.190 0.000 1.078 516 L CA 0.647 55.328 54.840 -0.267 0.000 0.780 516 L CB 0.264 42.052 42.059 -0.451 0.000 0.939 516 L HN 0.093 nan 8.230 nan 0.000 0.451 517 V N -4.505 115.286 119.914 -0.204 0.000 3.398 517 V HA 0.614 4.734 4.120 -0.000 0.000 0.298 517 V C 0.670 176.717 176.094 -0.078 0.000 1.496 517 V CA 0.018 62.242 62.300 -0.127 0.000 1.044 517 V CB -0.285 31.458 31.823 -0.133 0.000 0.880 517 V HN 0.406 nan 8.190 nan 0.000 0.443 518 G N 2.044 110.792 108.800 -0.087 0.000 2.725 518 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.220 518 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.220 518 G C -1.491 173.385 174.900 -0.042 0.000 1.357 518 G CA 0.042 45.110 45.100 -0.053 0.000 0.866 518 G HN 0.355 nan 8.290 nan 0.000 0.548 519 P HA 0.196 nan 4.420 nan 0.000 0.239 519 P C 1.781 179.111 177.300 0.050 0.000 1.188 519 P CA 1.798 64.900 63.100 0.004 0.000 0.794 519 P CB 0.131 31.817 31.700 -0.022 0.000 0.937 520 A N 0.616 123.467 122.820 0.051 0.000 1.858 520 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 520 A C 2.382 180.050 177.584 0.141 0.000 1.190 520 A CA 2.048 54.130 52.037 0.074 0.000 0.617 520 A CB -1.994 17.033 19.000 0.045 0.000 0.827 520 A HN 0.202 nan 8.150 nan 0.000 0.443 521 H N -0.849 118.246 119.070 0.042 0.000 2.357 521 H HA -0.037 4.519 4.556 -0.000 0.000 0.301 521 H C 1.747 177.151 175.328 0.128 0.000 1.082 521 H CA 1.546 57.640 56.048 0.075 0.000 1.342 521 H CB -0.319 29.452 29.762 0.015 0.000 1.389 521 H HN 0.266 nan 8.280 nan 0.000 0.511 522 L N 0.424 121.666 121.223 0.032 0.000 2.013 522 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 522 L C 2.331 179.333 176.870 0.220 0.000 1.073 522 L CA 1.671 56.556 54.840 0.075 0.000 0.753 522 L CB -0.896 41.272 42.059 0.181 0.000 0.890 522 L HN 0.433 nan 8.230 nan 0.000 0.432 523 I N -1.410 119.298 120.570 0.231 0.000 2.163 523 I HA -0.387 3.783 4.170 -0.000 0.000 0.243 523 I C 2.532 178.758 176.117 0.182 0.000 1.085 523 I CA 1.702 63.149 61.300 0.245 0.000 1.347 523 I CB -0.496 37.586 38.000 0.135 0.000 1.044 523 I HN 0.445 nan 8.210 nan 0.000 0.408 524 H N 1.147 120.228 119.070 0.020 0.000 2.387 524 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 524 H C 2.055 177.265 175.328 -0.197 0.000 1.099 524 H CA 1.999 58.016 56.048 -0.052 0.000 1.315 524 H CB -0.012 29.742 29.762 -0.014 0.000 1.380 524 H HN 0.355 nan 8.280 nan 0.000 0.513 525 E N -0.810 119.136 120.200 -0.424 0.000 2.077 525 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 525 E C 1.892 178.170 176.600 -0.537 0.000 0.989 525 E CA 1.032 57.005 56.400 -0.711 0.000 0.800 525 E CB -0.187 29.231 29.700 -0.470 0.000 0.746 525 E HN 0.446 nan 8.360 nan 0.000 0.452 526 F N 0.467 120.317 119.950 -0.168 0.000 2.126 526 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 526 F C 2.303 178.058 175.800 -0.075 0.000 1.096 526 F CA 0.897 58.881 58.000 -0.027 0.000 1.255 526 F CB -0.527 38.520 39.000 0.079 0.000 0.997 526 F HN -0.116 nan 8.300 nan 0.000 0.479 527 V N -0.387 119.548 119.914 0.035 0.000 2.270 527 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 527 V C 2.308 178.342 176.094 -0.101 0.000 1.043 527 V CA 2.090 64.382 62.300 -0.013 0.000 1.014 527 V CB -0.556 31.259 31.823 -0.014 0.000 0.645 527 V HN 0.215 nan 8.190 nan 0.000 0.447 528 E N -0.148 119.838 120.200 -0.357 0.000 2.110 528 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 528 E C 1.691 178.245 176.600 -0.076 0.000 0.988 528 E CA 1.749 57.931 56.400 -0.363 0.000 0.804 528 E CB -0.162 29.023 29.700 -0.858 0.000 0.745 528 E HN 0.737 nan 8.360 nan 0.000 0.458 529 Y N -0.763 119.494 120.300 -0.070 0.000 2.458 529 Y HA 0.350 4.900 4.550 -0.000 0.000 0.256 529 Y C 1.842 177.611 175.900 -0.218 0.000 1.159 529 Y CA -0.161 57.833 58.100 -0.178 0.000 1.261 529 Y CB -0.305 38.029 38.460 -0.210 0.000 1.119 529 Y HN -0.017 nan 8.280 nan 0.000 0.524 530 R N 0.873 121.405 120.500 0.053 0.000 2.139 530 R HA -0.193 4.146 4.340 -0.000 0.000 0.243 530 R C 2.224 178.534 176.300 0.017 0.000 1.145 530 R CA 1.924 58.070 56.100 0.076 0.000 0.976 530 R CB -0.406 29.969 30.300 0.125 0.000 0.866 530 R HN 0.561 nan 8.270 nan 0.000 0.449 531 H N 0.225 119.336 119.070 0.068 0.000 2.518 531 H HA -0.099 4.457 4.556 -0.000 0.000 0.289 531 H C 1.737 177.082 175.328 0.027 0.000 1.051 531 H CA 1.325 57.398 56.048 0.043 0.000 1.280 531 H CB -0.383 29.401 29.762 0.038 0.000 1.380 531 H HN 0.534 nan 8.280 nan 0.000 0.566 532 I N -1.023 119.275 120.570 -0.454 0.000 3.684 532 I HA 0.204 4.373 4.170 -0.000 0.000 0.304 532 I C 0.057 176.095 176.117 -0.131 0.000 1.278 532 I CA -0.072 61.082 61.300 -0.242 0.000 1.272 532 I CB 0.014 37.843 38.000 -0.287 0.000 1.029 532 I HN -0.051 nan 8.210 nan 0.000 0.458 533 L N 2.208 123.379 121.223 -0.086 0.000 2.343 533 L HA 0.373 4.713 4.340 -0.000 0.000 0.275 533 L C 0.035 176.865 176.870 -0.067 0.000 1.056 533 L CA -1.038 53.767 54.840 -0.060 0.000 0.804 533 L CB 0.805 42.889 42.059 0.041 0.000 1.203 533 L HN 0.238 nan 8.230 nan 0.000 0.440 534 D N 0.599 120.936 120.400 -0.106 0.000 2.372 534 D HA -0.037 4.603 4.640 -0.000 0.000 0.243 534 D C 0.721 177.021 176.300 -0.000 0.000 1.297 534 D CA -0.262 53.697 54.000 -0.069 0.000 0.958 534 D CB 0.633 41.376 40.800 -0.095 0.000 1.114 534 D HN 0.405 nan 8.370 nan 0.000 0.496 535 E N -0.288 119.915 120.200 0.005 0.000 2.077 535 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 535 E C 1.768 178.391 176.600 0.038 0.000 0.989 535 E CA 1.025 57.438 56.400 0.022 0.000 0.800 535 E CB -0.120 29.589 29.700 0.014 0.000 0.746 535 E HN 0.511 nan 8.360 nan 0.000 0.452 536 K N 0.448 120.872 120.400 0.041 0.000 2.001 536 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 536 K C 1.786 178.442 176.600 0.093 0.000 1.048 536 K CA 1.378 57.698 56.287 0.056 0.000 0.932 536 K CB 0.093 32.626 32.500 0.055 0.000 0.715 536 K HN -0.028 nan 8.250 nan 0.000 0.437 537 D N 0.243 120.725 120.400 0.137 0.000 2.144 537 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 537 D C 1.938 178.397 176.300 0.264 0.000 0.978 537 D CA 0.645 54.808 54.000 0.273 0.000 0.833 537 D CB -0.461 40.507 40.800 0.279 0.000 0.961 537 D HN 0.246 nan 8.370 nan 0.000 0.470 538 C N 1.132 120.530 119.300 0.163 0.000 2.413 538 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 538 C C 2.874 177.926 174.990 0.102 0.000 1.248 538 C CA 1.489 60.591 59.018 0.140 0.000 1.742 538 C CB -1.003 26.790 27.740 0.088 0.000 2.017 538 C HN 0.339 nan 8.230 nan 0.000 0.481 539 A N -0.207 122.650 122.820 0.062 0.000 1.877 539 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 539 A C 2.343 179.916 177.584 -0.018 0.000 1.186 539 A CA 2.268 54.318 52.037 0.021 0.000 0.620 539 A CB -0.890 18.117 19.000 0.011 0.000 0.822 539 A HN 0.471 nan 8.150 nan 0.000 0.443 540 V N -0.296 119.587 119.914 -0.052 0.000 2.295 540 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 540 V C 2.789 178.720 176.094 -0.272 0.000 1.049 540 V CA 2.312 64.483 62.300 -0.215 0.000 1.024 540 V CB -0.981 30.594 31.823 -0.414 0.000 0.648 540 V HN 0.676 nan 8.190 nan 0.000 0.447 541 S N -0.331 115.290 115.700 -0.131 0.000 2.372 541 S HA -0.321 4.149 4.470 -0.000 0.000 0.227 541 S C 1.968 176.624 174.600 0.093 0.000 1.044 541 S CA 2.409 60.748 58.200 0.232 0.000 1.050 541 S CB -0.296 63.182 63.200 0.464 0.000 0.901 541 S HN 0.752 nan 8.310 nan 0.000 0.447 542 E N 0.563 120.790 120.200 0.044 0.000 2.106 542 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 542 E C 2.042 178.606 176.600 -0.060 0.000 0.984 542 E CA 1.197 57.597 56.400 0.001 0.000 0.806 542 E CB -0.254 29.453 29.700 0.012 0.000 0.750 542 E HN 0.674 nan 8.360 nan 0.000 0.458 543 N N 0.074 118.719 118.700 -0.091 0.000 2.036 543 N HA -0.184 4.556 4.740 -0.000 0.000 0.195 543 N C 1.621 176.981 175.510 -0.249 0.000 1.037 543 N CA 1.147 54.089 53.050 -0.180 0.000 0.855 543 N CB -0.226 38.106 38.487 -0.259 0.000 1.033 543 N HN 0.044 nan 8.380 nan 0.000 0.423 544 F N 1.346 121.120 119.950 -0.293 0.000 2.134 544 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 544 F C 2.852 178.383 175.800 -0.447 0.000 1.097 544 F CA 1.171 58.958 58.000 -0.355 0.000 1.264 544 F CB -0.457 38.218 39.000 -0.542 0.000 1.001 544 F HN 0.122 nan 8.300 nan 0.000 0.479 545 Q N 0.931 120.501 119.800 -0.385 0.000 2.124 545 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 545 Q C 2.070 178.008 176.000 -0.104 0.000 0.977 545 Q CA 2.024 57.659 55.803 -0.281 0.000 0.850 545 Q CB -0.305 28.362 28.738 -0.118 0.000 0.901 545 Q HN 0.670 nan 8.270 nan 0.000 0.429 546 E N -0.637 119.524 120.200 -0.064 0.000 2.158 546 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 546 E C 1.836 178.444 176.600 0.013 0.000 0.982 546 E CA 0.609 56.994 56.400 -0.025 0.000 0.823 546 E CB -0.579 29.107 29.700 -0.024 0.000 0.766 546 E HN 0.414 nan 8.360 nan 0.000 0.468 547 F N 2.429 122.290 119.950 -0.148 0.000 2.095 547 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 547 F C 1.898 177.653 175.800 -0.074 0.000 1.104 547 F CA 1.431 59.353 58.000 -0.131 0.000 1.232 547 F CB -0.248 38.623 39.000 -0.214 0.000 0.987 547 F HN -0.049 nan 8.300 nan 0.000 0.475 548 L N -0.740 120.320 121.223 -0.272 0.000 2.109 548 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 548 L C 2.504 179.264 176.870 -0.184 0.000 1.086 548 L CA 1.292 55.947 54.840 -0.309 0.000 0.760 548 L CB -0.936 41.062 42.059 -0.102 0.000 0.910 548 L HN 0.065 nan 8.230 nan 0.000 0.437 549 S N 0.286 115.928 115.700 -0.097 0.000 2.355 549 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 549 S C 1.941 176.525 174.600 -0.026 0.000 1.031 549 S CA 1.193 59.368 58.200 -0.042 0.000 0.993 549 S CB -0.388 62.800 63.200 -0.020 0.000 0.859 549 S HN 0.346 nan 8.310 nan 0.000 0.453 550 L N 1.789 122.988 121.223 -0.040 0.000 2.042 550 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 550 L C 1.071 177.961 176.870 0.033 0.000 1.076 550 L CA 1.478 56.320 54.840 0.003 0.000 0.749 550 L CB -0.215 41.849 42.059 0.008 0.000 0.893 550 L HN 0.256 nan 8.230 nan 0.000 0.432 551 N N -0.263 118.356 118.700 -0.135 0.000 2.235 551 N HA 0.070 4.810 4.740 -0.000 0.000 0.209 551 N C 1.423 176.779 175.510 -0.256 0.000 1.122 551 N CA 0.734 53.634 53.050 -0.250 0.000 0.845 551 N CB 0.644 38.881 38.487 -0.416 0.000 1.004 551 N HN 0.430 nan 8.380 nan 0.000 0.499 552 G N 0.932 109.691 108.800 -0.069 0.000 2.432 552 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 552 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 552 G C 1.156 176.052 174.900 -0.007 0.000 1.135 552 G CA 0.920 45.996 45.100 -0.039 0.000 0.767 552 G HN 0.596 nan 8.290 nan 0.000 0.550 553 H N -0.870 118.169 119.070 -0.052 0.000 2.546 553 H HA 0.299 4.855 4.556 -0.000 0.000 0.277 553 H C 2.071 177.385 175.328 -0.023 0.000 1.004 553 H CA 0.427 56.455 56.048 -0.033 0.000 1.231 553 H CB -0.112 29.633 29.762 -0.029 0.000 1.382 553 H HN 0.348 nan 8.280 nan 0.000 0.580 554 L N 0.245 121.215 121.223 -0.420 0.000 2.357 554 L HA 0.205 4.544 4.340 -0.000 0.000 0.211 554 L C 0.430 177.232 176.870 -0.112 0.000 1.075 554 L CA -0.124 54.548 54.840 -0.279 0.000 0.830 554 L CB 0.209 42.047 42.059 -0.368 0.000 0.996 554 L HN 0.172 nan 8.230 nan 0.000 0.467 555 L N 0.740 121.890 121.223 -0.122 0.000 2.367 555 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 555 L C 1.226 178.086 176.870 -0.016 0.000 1.129 555 L CA 0.472 55.265 54.840 -0.079 0.000 0.839 555 L CB 0.627 42.610 42.059 -0.126 0.000 1.133 555 L HN 0.342 nan 8.230 nan 0.000 0.453 556 G N 2.618 111.435 108.800 0.030 0.000 2.159 556 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.256 556 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.256 556 G C 0.323 175.412 174.900 0.315 0.000 0.977 556 G CA -0.242 44.929 45.100 0.119 0.000 0.652 556 G HN 0.569 nan 8.290 nan 0.000 0.531 557 R N 0.201 120.853 120.500 0.252 0.000 2.255 557 R HA 0.502 4.842 4.340 -0.000 0.000 0.326 557 R C 0.219 176.511 176.300 -0.013 0.000 0.986 557 R CA -0.609 55.554 56.100 0.106 0.000 0.847 557 R CB 0.973 31.294 30.300 0.034 0.000 1.111 557 R HN 0.301 nan 8.270 nan 0.000 0.452 558 Q N 3.735 123.369 119.800 -0.278 0.000 2.332 558 Q HA 0.170 4.510 4.340 -0.000 0.000 0.263 558 Q C -1.893 173.954 176.000 -0.256 0.000 0.979 558 Q CA -1.232 54.234 55.803 -0.561 0.000 0.885 558 Q CB 0.737 29.144 28.738 -0.551 0.000 1.218 558 Q HN 0.327 nan 8.270 nan 0.000 0.405 559 P HA 0.086 nan 4.420 nan 0.000 0.276 559 P C -1.116 176.109 177.300 -0.123 0.000 1.235 559 P CA -0.107 62.852 63.100 -0.236 0.000 0.772 559 P CB 0.381 32.015 31.700 -0.109 0.000 0.871 560 F N 4.268 124.206 119.950 -0.019 0.000 2.529 560 F HA 0.180 4.707 4.527 -0.000 0.000 0.365 560 F C -0.976 174.812 175.800 -0.021 0.000 1.102 560 F CA -1.861 56.124 58.000 -0.024 0.000 1.271 560 F CB -0.868 38.121 39.000 -0.019 0.000 1.120 560 F HN 0.276 nan 8.300 nan 0.000 0.579 561 P HA -0.013 nan 4.420 nan 0.000 0.272 561 P C -0.480 176.870 177.300 0.083 0.000 1.223 561 P CA -0.400 62.749 63.100 0.082 0.000 0.784 561 P CB 0.574 32.288 31.700 0.023 0.000 0.923 562 N N 1.900 120.640 118.700 0.066 0.000 2.402 562 N HA 0.067 4.806 4.740 -0.000 0.000 0.252 562 N C 1.042 176.598 175.510 0.076 0.000 1.118 562 N CA -0.020 53.068 53.050 0.064 0.000 0.945 562 N CB -0.227 38.290 38.487 0.050 0.000 1.147 562 N HN 0.311 nan 8.380 nan 0.000 0.495 563 I N 3.062 123.685 120.570 0.088 0.000 2.546 563 I HA -0.209 3.961 4.170 -0.000 0.000 0.255 563 I C 1.820 178.016 176.117 0.133 0.000 1.163 563 I CA 0.486 61.875 61.300 0.148 0.000 1.457 563 I CB 0.249 38.341 38.000 0.154 0.000 1.092 563 I HN 0.359 nan 8.210 nan 0.000 0.434 564 V N 0.310 120.260 119.914 0.061 0.000 2.307 564 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 564 V C 2.440 178.531 176.094 -0.005 0.000 1.045 564 V CA 1.835 64.136 62.300 0.002 0.000 1.024 564 V CB -0.606 31.211 31.823 -0.010 0.000 0.651 564 V HN 0.406 nan 8.190 nan 0.000 0.449 565 Q N 0.358 120.173 119.800 0.025 0.000 2.061 565 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 565 Q C 2.012 178.049 176.000 0.061 0.000 0.984 565 Q CA 2.040 57.862 55.803 0.031 0.000 0.846 565 Q CB -0.608 28.152 28.738 0.037 0.000 0.902 565 Q HN 0.620 nan 8.270 nan 0.000 0.421 566 L N -0.918 120.373 121.223 0.112 0.000 2.046 566 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 566 L C 2.298 179.317 176.870 0.248 0.000 1.077 566 L CA 1.213 56.178 54.840 0.208 0.000 0.747 566 L CB -0.897 41.328 42.059 0.277 0.000 0.896 566 L HN 0.438 nan 8.230 nan 0.000 0.432 567 G N -0.195 108.647 108.800 0.069 0.000 2.443 567 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 567 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 567 G C 1.577 176.393 174.900 -0.139 0.000 1.131 567 G CA 0.189 45.119 45.100 -0.283 0.000 0.775 567 G HN 0.249 nan 8.290 nan 0.000 0.547 568 L N 0.188 121.370 121.223 -0.069 0.000 2.465 568 L HA 0.006 4.346 4.340 -0.000 0.000 0.224 568 L C 1.996 178.986 176.870 0.199 0.000 1.145 568 L CA 0.002 54.840 54.840 -0.004 0.000 0.834 568 L CB -0.077 41.957 42.059 -0.043 0.000 0.944 568 L HN 0.231 nan 8.230 nan 0.000 0.451 569 C N -0.844 118.534 119.300 0.131 0.000 2.696 569 C HA 0.092 4.552 4.460 -0.000 0.000 0.264 569 C C 1.262 176.309 174.990 0.094 0.000 1.288 569 C CA -0.585 58.500 59.018 0.113 0.000 1.717 569 C CB -0.784 27.016 27.740 0.099 0.000 1.893 569 C HN 0.294 nan 8.230 nan 0.000 0.577 570 E N 1.888 122.149 120.200 0.103 0.000 2.374 570 E HA 0.236 4.586 4.350 -0.000 0.000 0.260 570 E C -2.308 174.263 176.600 -0.047 0.000 1.101 570 E CA -1.959 54.456 56.400 0.025 0.000 0.907 570 E CB -0.102 29.554 29.700 -0.073 0.000 1.014 570 E HN 0.144 nan 8.360 nan 0.000 0.427 571 P HA -0.016 nan 4.420 nan 0.000 0.266 571 P C 0.563 177.654 177.300 -0.348 0.000 1.195 571 P CA 0.276 63.252 63.100 -0.206 0.000 0.768 571 P CB 0.510 32.129 31.700 -0.136 0.000 0.838 572 E N 0.989 120.858 120.200 -0.551 0.000 2.333 572 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 572 E C 1.133 177.576 176.600 -0.263 0.000 1.007 572 E CA 1.461 57.411 56.400 -0.749 0.000 0.845 572 E CB -0.017 29.315 29.700 -0.614 0.000 0.766 572 E HN 0.583 nan 8.360 nan 0.000 0.507 573 T N -2.126 112.320 114.554 -0.180 0.000 3.023 573 T HA -0.003 4.346 4.350 -0.000 0.000 0.266 573 T C 1.261 175.916 174.700 -0.075 0.000 1.093 573 T CA 0.129 62.171 62.100 -0.097 0.000 1.129 573 T CB 0.180 68.996 68.868 -0.086 0.000 0.899 573 T HN -0.126 nan 8.240 nan 0.000 0.491 574 S N 1.141 116.783 115.700 -0.096 0.000 2.549 574 S HA 0.084 4.554 4.470 -0.000 0.000 0.283 574 S C 1.313 175.849 174.600 -0.107 0.000 1.320 574 S CA -0.524 57.601 58.200 -0.125 0.000 1.058 574 S CB 0.626 63.727 63.200 -0.166 0.000 0.882 574 S HN 0.301 nan 8.310 nan 0.000 0.498 575 E N 3.319 123.424 120.200 -0.159 0.000 2.268 575 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 575 E C 1.835 178.289 176.600 -0.243 0.000 0.995 575 E CA 0.766 57.099 56.400 -0.111 0.000 0.836 575 E CB -0.079 29.620 29.700 -0.001 0.000 0.763 575 E HN 0.598 nan 8.360 nan 0.000 0.491 576 V N 0.482 120.053 119.914 -0.571 0.000 2.307 576 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 576 V C 2.208 178.045 176.094 -0.428 0.000 1.045 576 V CA 1.927 63.770 62.300 -0.762 0.000 1.024 576 V CB -0.818 30.311 31.823 -1.157 0.000 0.651 576 V HN 0.298 nan 8.190 nan 0.000 0.449 577 Y N 1.060 121.133 120.300 -0.378 0.000 2.128 577 Y HA -0.283 4.266 4.550 -0.000 0.000 0.284 577 Y C 2.761 178.567 175.900 -0.156 0.000 1.154 577 Y CA 2.028 59.987 58.100 -0.236 0.000 1.149 577 Y CB -0.204 38.150 38.460 -0.178 0.000 0.976 577 Y HN 0.214 nan 8.280 nan 0.000 0.505 578 Q N 0.313 120.095 119.800 -0.030 0.000 2.084 578 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 578 Q C 2.228 178.156 176.000 -0.119 0.000 0.978 578 Q CA 1.870 57.647 55.803 -0.044 0.000 0.844 578 Q CB -0.511 28.253 28.738 0.044 0.000 0.898 578 Q HN 0.686 nan 8.270 nan 0.000 0.426 579 Q N -0.004 119.737 119.800 -0.098 0.000 2.050 579 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 579 Q C 2.065 177.989 176.000 -0.126 0.000 0.980 579 Q CA 1.407 57.174 55.803 -0.061 0.000 0.840 579 Q CB -0.169 28.583 28.738 0.023 0.000 0.898 579 Q HN 0.382 nan 8.270 nan 0.000 0.424 580 A N 1.128 123.811 122.820 -0.228 0.000 1.933 580 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 580 A C 2.013 179.434 177.584 -0.272 0.000 1.175 580 A CA 1.729 53.619 52.037 -0.245 0.000 0.628 580 A CB -0.331 18.483 19.000 -0.311 0.000 0.814 580 A HN 0.111 nan 8.150 nan 0.000 0.444 581 K N -0.118 120.040 120.400 -0.402 0.000 2.057 581 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 581 K C 1.758 178.262 176.600 -0.159 0.000 1.049 581 K CA 1.239 57.328 56.287 -0.331 0.000 0.931 581 K CB -0.468 31.792 32.500 -0.401 0.000 0.714 581 K HN 0.476 nan 8.250 nan 0.000 0.440 582 L N 0.407 121.558 121.223 -0.120 0.000 2.027 582 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 582 L C 2.581 179.420 176.870 -0.051 0.000 1.074 582 L CA 1.415 56.217 54.840 -0.062 0.000 0.745 582 L CB -0.388 41.649 42.059 -0.037 0.000 0.898 582 L HN 0.332 nan 8.230 nan 0.000 0.433 583 Q N -0.524 119.243 119.800 -0.055 0.000 2.124 583 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 583 Q C 2.372 178.349 176.000 -0.037 0.000 0.977 583 Q CA 1.590 57.372 55.803 -0.036 0.000 0.850 583 Q CB -0.247 28.474 28.738 -0.029 0.000 0.901 583 Q HN 0.578 nan 8.270 nan 0.000 0.429 584 A N 1.695 124.479 122.820 -0.059 0.000 1.865 584 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 584 A C 2.087 179.651 177.584 -0.033 0.000 1.191 584 A CA 1.414 53.422 52.037 -0.049 0.000 0.623 584 A CB -0.371 18.586 19.000 -0.072 0.000 0.826 584 A HN 0.091 nan 8.150 nan 0.000 0.444 585 K N 0.393 120.771 120.400 -0.037 0.000 2.009 585 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 585 K C 1.606 178.196 176.600 -0.015 0.000 1.049 585 K CA 1.403 57.676 56.287 -0.023 0.000 0.929 585 K CB -0.579 31.907 32.500 -0.024 0.000 0.714 585 K HN 0.916 nan 8.250 nan 0.000 0.440 586 Q N 0.000 119.790 119.800 -0.016 0.000 2.315 586 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 586 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 586 Q CB 0.000 28.732 28.738 -0.009 0.000 1.108 586 Q HN 0.000 nan 8.270 nan 0.000 0.481