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 2o2d_1_B DATA FIRST_RESID 38 DATA SEQUENCE RLKGVGADAD TTLTSCASWT QLQKLYEQYG DEPIKKHFET DSERGQRYSV DATA SEQUENCE KVSLGSKDEN FLFLDYSKSH INDEIKCALL RLAEERGIRQ FVQSVFRGER DATA SEQUENCE VNTTENRPVL HIALRNRSNR PIYVDGKDVM PAVNKVLDQM RSFSEKVRTG DATA SEQUENCE EWKGHTGKAI RHVVNIGIGG SDLGPVMATE ALKPFSQRDL SLHFVSNVDG DATA SEQUENCE THIAEVLKSI DIEATLFIVA SKTFTTQETI TNALSARRAL LDYLRSRGID DATA SEQUENCE EKGSVAKHFV ALSTNNQKVK EFGIDEENMF QFWDWVGGRY SMWSAIGLPI DATA SEQUENCE MISIGYENFV ELLTGAHVID EHFANAPPEQ NVPLLLALVG VWYINFFGAV DATA SEQUENCE THAILPYDQY LWRLPAYLQQ LDMESNGKYV TRSGKTVSTL TGPIIFGEAG DATA SEQUENCE TNGQHAFYQL IHQGTNLIPC DFIGAIQSQN KIGDHHKIFM SNFFAQTEAL DATA SEQUENCE MIGKSPSEVR RELEAAGERS AEKINALLPH KTFIGGRPSN TLLIKSLTPR DATA SEQUENCE ALGAIIAMYE HKVLVQGAIW GIDSYDQWGV ELGKVLAKSI LPQLRPGMRV DATA SEQUENCE NNHDSSTNGL INMFNELSH 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.256 176.300 -0.073 0.000 0.893 38 R CA 0.000 56.072 56.100 -0.047 0.000 0.921 38 R CB 0.000 30.277 30.300 -0.038 0.000 0.687 39 L N 1.237 122.396 121.223 -0.107 0.000 2.709 39 L HA 0.547 4.880 4.340 -0.011 0.000 0.236 39 L C 0.014 176.767 176.870 -0.195 0.000 1.266 39 L CA -0.205 54.518 54.840 -0.195 0.000 0.987 39 L CB 1.441 43.342 42.059 -0.262 0.000 1.306 39 L HN -0.037 nan 8.230 nan 0.000 0.467 40 K N 0.334 120.648 120.400 -0.143 0.000 2.564 40 K HA 0.322 4.635 4.320 -0.011 0.000 0.205 40 K C 1.395 177.931 176.600 -0.107 0.000 1.053 40 K CA -0.052 56.165 56.287 -0.117 0.000 1.072 40 K CB 0.877 33.329 32.500 -0.080 0.000 0.822 40 K HN 0.489 nan 8.250 nan 0.000 0.497 41 G N -0.638 108.082 108.800 -0.133 0.000 3.020 41 G HA2 -0.001 3.953 3.960 -0.011 0.000 0.217 41 G HA3 -0.001 3.953 3.960 -0.011 0.000 0.217 41 G C 1.039 175.869 174.900 -0.116 0.000 1.144 41 G CA -0.059 44.980 45.100 -0.102 0.000 0.760 41 G HN 0.109 nan 8.290 nan 0.000 0.548 42 V N 0.680 120.486 119.914 -0.179 0.000 2.323 42 V HA 0.242 4.355 4.120 -0.011 0.000 0.244 42 V C 2.402 178.435 176.094 -0.102 0.000 1.041 42 V CA 1.898 64.093 62.300 -0.176 0.000 1.025 42 V CB -0.676 30.980 31.823 -0.279 0.000 0.656 42 V HN 0.695 nan 8.190 nan 0.000 0.451 43 G N -0.487 108.255 108.800 -0.096 0.000 2.176 43 G HA2 -0.072 3.881 3.960 -0.011 0.000 0.232 43 G HA3 -0.072 3.881 3.960 -0.011 0.000 0.232 43 G C 0.178 175.043 174.900 -0.058 0.000 0.986 43 G CA 0.220 45.280 45.100 -0.066 0.000 0.643 43 G HN 1.078 nan 8.290 nan 0.000 0.522 44 A N -0.123 122.656 122.820 -0.067 0.000 2.281 44 A HA 0.707 5.020 4.320 -0.011 0.000 0.329 44 A C 0.203 177.754 177.584 -0.054 0.000 1.122 44 A CA -0.161 51.844 52.037 -0.053 0.000 0.850 44 A CB 0.744 19.715 19.000 -0.048 0.000 1.207 44 A HN 0.158 nan 8.150 nan 0.000 0.495 45 D N 0.081 120.456 120.400 -0.041 0.000 2.369 45 D HA 0.450 5.083 4.640 -0.011 0.000 0.241 45 D C 0.263 176.536 176.300 -0.045 0.000 1.271 45 D CA 0.741 54.717 54.000 -0.039 0.000 0.942 45 D CB 0.785 41.567 40.800 -0.030 0.000 1.129 45 D HN 0.669 nan 8.370 nan 0.000 0.476 46 A N 0.519 123.312 122.820 -0.045 0.000 2.304 46 A HA 0.287 4.600 4.320 -0.011 0.000 0.323 46 A C -0.316 177.238 177.584 -0.050 0.000 1.195 46 A CA -0.656 51.350 52.037 -0.052 0.000 0.826 46 A CB 0.736 19.703 19.000 -0.056 0.000 1.184 46 A HN 0.430 nan 8.150 nan 0.000 0.496 47 D N 1.566 121.933 120.400 -0.055 0.000 2.458 47 D HA 0.238 4.872 4.640 -0.011 0.000 0.243 47 D C 1.272 177.524 176.300 -0.081 0.000 1.146 47 D CA 1.404 55.368 54.000 -0.061 0.000 0.877 47 D CB 0.750 41.512 40.800 -0.063 0.000 1.176 47 D HN 0.510 nan 8.370 nan 0.000 0.461 48 T N -1.593 112.918 114.554 -0.072 0.000 3.043 48 T HA 0.016 4.359 4.350 -0.011 0.000 0.272 48 T C 1.636 176.285 174.700 -0.085 0.000 0.990 48 T CA 0.300 62.354 62.100 -0.077 0.000 0.897 48 T CB -0.222 68.619 68.868 -0.045 0.000 1.111 48 T HN 0.417 nan 8.240 nan 0.000 0.529 49 T N 0.621 115.126 114.554 -0.082 0.000 2.915 49 T HA 0.034 4.377 4.350 -0.011 0.000 0.269 49 T C 1.629 176.262 174.700 -0.111 0.000 1.071 49 T CA 0.817 62.874 62.100 -0.072 0.000 1.132 49 T CB -0.347 68.490 68.868 -0.052 0.000 0.878 49 T HN 0.248 nan 8.240 nan 0.000 0.479 50 L N 2.009 123.109 121.223 -0.205 0.000 2.200 50 L HA 0.210 4.543 4.340 -0.011 0.000 0.200 50 L C 2.689 179.229 176.870 -0.551 0.000 1.072 50 L CA 1.983 56.605 54.840 -0.364 0.000 0.787 50 L CB -0.961 40.803 42.059 -0.491 0.000 0.957 50 L HN 0.449 nan 8.230 nan 0.000 0.459 51 T N -3.855 110.378 114.554 -0.534 0.000 3.007 51 T HA -0.058 4.286 4.350 -0.011 0.000 0.270 51 T C 1.525 176.192 174.700 -0.054 0.000 1.107 51 T CA 1.326 63.174 62.100 -0.420 0.000 1.118 51 T CB -0.499 68.234 68.868 -0.225 0.000 0.889 51 T HN 0.280 nan 8.240 nan 0.000 0.506 52 S N -0.073 115.602 115.700 -0.043 0.000 2.557 52 S HA 0.290 4.753 4.470 -0.011 0.000 0.223 52 S C 0.737 175.379 174.600 0.070 0.000 0.969 52 S CA -0.657 57.564 58.200 0.035 0.000 0.927 52 S CB -0.387 62.820 63.200 0.011 0.000 0.806 52 S HN 0.560 nan 8.310 nan 0.000 0.489 53 C N 2.546 121.899 119.300 0.089 0.000 2.637 53 C HA 0.416 4.869 4.460 -0.011 0.000 0.418 53 C C 2.182 177.287 174.990 0.192 0.000 1.319 53 C CA -0.244 58.853 59.018 0.131 0.000 1.949 53 C CB 0.073 27.907 27.740 0.157 0.000 2.639 53 C HN 0.632 nan 8.230 nan 0.000 0.594 54 A N 3.205 126.109 122.820 0.140 0.000 1.908 54 A HA -0.164 4.149 4.320 -0.011 0.000 0.218 54 A C 2.245 179.927 177.584 0.162 0.000 1.181 54 A CA 2.501 54.616 52.037 0.130 0.000 0.627 54 A CB -0.847 18.205 19.000 0.087 0.000 0.818 54 A HN 1.060 nan 8.150 nan 0.000 0.445 55 S N -2.053 113.752 115.700 0.175 0.000 2.423 55 S HA -0.178 4.285 4.470 -0.011 0.000 0.231 55 S C 1.841 176.605 174.600 0.274 0.000 1.014 55 S CA 0.909 59.217 58.200 0.179 0.000 0.965 55 S CB -0.653 62.638 63.200 0.153 0.000 0.785 55 S HN 0.749 nan 8.310 nan 0.000 0.495 56 W N 3.257 124.657 121.300 0.166 0.000 2.407 56 W HA -0.163 4.490 4.660 -0.011 0.000 0.305 56 W C 2.402 179.093 176.519 0.287 0.000 1.196 56 W CA 2.077 59.586 57.345 0.272 0.000 1.311 56 W CB -0.683 28.899 29.460 0.203 0.000 1.135 56 W HN 0.544 nan 8.180 nan 0.000 0.514 57 T N -0.823 113.961 114.554 0.383 0.000 2.833 57 T HA -0.296 4.048 4.350 -0.011 0.000 0.269 57 T C 1.539 176.336 174.700 0.161 0.000 1.054 57 T CA 1.695 63.945 62.100 0.250 0.000 1.135 57 T CB -0.570 68.421 68.868 0.205 0.000 0.869 57 T HN 0.060 nan 8.240 nan 0.000 0.466 58 Q N 1.049 120.932 119.800 0.138 0.000 2.119 58 Q HA 0.166 4.500 4.340 -0.011 0.000 0.201 58 Q C 2.111 178.142 176.000 0.051 0.000 0.972 58 Q CA 1.223 57.076 55.803 0.084 0.000 0.847 58 Q CB -0.756 28.023 28.738 0.067 0.000 0.903 58 Q HN 0.629 nan 8.270 nan 0.000 0.433 59 L N 0.010 121.240 121.223 0.013 0.000 2.093 59 L HA -0.158 4.175 4.340 -0.011 0.000 0.208 59 L C 2.402 179.249 176.870 -0.038 0.000 1.085 59 L CA 1.201 55.950 54.840 -0.152 0.000 0.755 59 L CB -0.310 41.465 42.059 -0.473 0.000 0.904 59 L HN 0.291 nan 8.230 nan 0.000 0.435 60 Q N 0.672 120.578 119.800 0.176 0.000 2.119 60 Q HA -0.230 4.103 4.340 -0.011 0.000 0.201 60 Q C 2.094 178.213 176.000 0.199 0.000 0.972 60 Q CA 1.684 57.661 55.803 0.290 0.000 0.847 60 Q CB -0.085 28.789 28.738 0.226 0.000 0.903 60 Q HN 0.264 nan 8.270 nan 0.000 0.433 61 K N -0.480 119.993 120.400 0.123 0.000 2.057 61 K HA -0.070 4.244 4.320 -0.011 0.000 0.206 61 K C 1.902 178.522 176.600 0.032 0.000 1.050 61 K CA 1.142 57.465 56.287 0.060 0.000 0.935 61 K CB -0.125 32.402 32.500 0.045 0.000 0.715 61 K HN 0.297 nan 8.250 nan 0.000 0.439 62 L N 0.181 121.459 121.223 0.092 0.000 2.201 62 L HA -0.155 4.179 4.340 -0.011 0.000 0.212 62 L C 2.353 179.392 176.870 0.281 0.000 1.105 62 L CA 0.742 55.674 54.840 0.153 0.000 0.775 62 L CB -0.414 41.750 42.059 0.176 0.000 0.913 62 L HN 0.266 nan 8.230 nan 0.000 0.440 63 Y N 1.183 121.596 120.300 0.189 0.000 2.220 63 Y HA -0.183 4.360 4.550 -0.011 0.000 0.291 63 Y C 2.380 178.243 175.900 -0.061 0.000 1.129 63 Y CA 1.403 59.546 58.100 0.072 0.000 1.161 63 Y CB -0.100 38.239 38.460 -0.202 0.000 0.997 63 Y HN 0.178 nan 8.280 nan 0.000 0.522 64 E N -0.213 119.870 120.200 -0.195 0.000 2.153 64 E HA -0.230 4.114 4.350 -0.011 0.000 0.194 64 E C 2.035 178.465 176.600 -0.282 0.000 0.988 64 E CA 1.418 57.651 56.400 -0.279 0.000 0.811 64 E CB -0.111 29.523 29.700 -0.110 0.000 0.746 64 E HN 0.678 nan 8.360 nan 0.000 0.466 65 Q N -0.447 119.175 119.800 -0.298 0.000 2.061 65 Q HA -0.067 4.267 4.340 -0.011 0.000 0.195 65 Q C 1.176 176.910 176.000 -0.443 0.000 0.967 65 Q CA 1.098 56.607 55.803 -0.490 0.000 0.829 65 Q CB 0.128 28.341 28.738 -0.876 0.000 0.900 65 Q HN 0.364 nan 8.270 nan 0.000 0.450 66 Y N -1.178 119.149 120.300 0.045 0.000 2.467 66 Y HA 0.308 4.851 4.550 -0.011 0.000 0.250 66 Y C 1.964 177.988 175.900 0.207 0.000 1.155 66 Y CA 0.057 58.237 58.100 0.133 0.000 1.249 66 Y CB -0.114 38.461 38.460 0.191 0.000 1.146 66 Y HN 0.109 nan 8.280 nan 0.000 0.524 67 G N 0.049 108.937 108.800 0.146 0.000 2.448 67 G HA2 -0.219 3.734 3.960 -0.011 0.000 0.219 67 G HA3 -0.219 3.734 3.960 -0.011 0.000 0.219 67 G C 1.169 176.128 174.900 0.099 0.000 1.127 67 G CA 1.159 46.285 45.100 0.043 0.000 0.766 67 G HN 0.219 nan 8.290 nan 0.000 0.552 68 D N 0.412 120.810 120.400 -0.003 0.000 2.347 68 D HA 0.052 4.685 4.640 -0.011 0.000 0.213 68 D C 0.904 177.305 176.300 0.169 0.000 0.985 68 D CA 0.108 54.143 54.000 0.059 0.000 0.879 68 D CB 0.109 40.888 40.800 -0.034 0.000 0.919 68 D HN 0.403 nan 8.370 nan 0.000 0.526 69 E N 1.543 121.877 120.200 0.223 0.000 2.324 69 E HA 0.123 4.466 4.350 -0.011 0.000 0.271 69 E C -2.245 174.462 176.600 0.178 0.000 1.028 69 E CA -1.519 54.976 56.400 0.158 0.000 0.890 69 E CB 0.767 30.545 29.700 0.130 0.000 1.004 69 E HN 0.067 nan 8.360 nan 0.000 0.431 70 P HA -0.039 nan 4.420 nan 0.000 0.269 70 P C 0.516 177.778 177.300 -0.064 0.000 1.215 70 P CA 0.149 63.284 63.100 0.058 0.000 0.780 70 P CB 0.575 32.294 31.700 0.031 0.000 0.898 71 I N 1.981 122.512 120.570 -0.066 0.000 2.286 71 I HA -0.291 3.872 4.170 -0.011 0.000 0.248 71 I C 2.128 178.338 176.117 0.154 0.000 1.115 71 I CA 1.565 62.883 61.300 0.030 0.000 1.392 71 I CB -0.703 37.281 38.000 -0.027 0.000 1.065 71 I HN 0.469 nan 8.210 nan 0.000 0.418 72 K N 1.843 122.295 120.400 0.087 0.000 2.211 72 K HA -0.227 4.086 4.320 -0.011 0.000 0.204 72 K C 2.076 178.729 176.600 0.088 0.000 1.047 72 K CA 1.457 57.809 56.287 0.108 0.000 0.935 72 K CB -0.352 32.148 32.500 0.001 0.000 0.728 72 K HN 0.269 nan 8.250 nan 0.000 0.452 73 K N 0.683 121.049 120.400 -0.056 0.000 2.097 73 K HA -0.167 4.146 4.320 -0.011 0.000 0.205 73 K C 1.688 178.201 176.600 -0.145 0.000 1.050 73 K CA 1.283 57.491 56.287 -0.131 0.000 0.938 73 K CB -0.084 32.283 32.500 -0.221 0.000 0.718 73 K HN 0.358 nan 8.250 nan 0.000 0.442 74 H N -0.775 118.269 119.070 -0.043 0.000 2.457 74 H HA -0.075 4.474 4.556 -0.011 0.000 0.294 74 H C 1.705 176.862 175.328 -0.286 0.000 1.064 74 H CA 1.103 57.020 56.048 -0.217 0.000 1.330 74 H CB -0.133 29.406 29.762 -0.371 0.000 1.395 74 H HN 0.232 nan 8.280 nan 0.000 0.541 75 F N 1.085 121.008 119.950 -0.045 0.000 2.416 75 F HA 0.009 4.530 4.527 -0.011 0.000 0.296 75 F C 2.305 178.068 175.800 -0.061 0.000 1.099 75 F CA 0.553 58.510 58.000 -0.071 0.000 1.427 75 F CB 0.200 39.153 39.000 -0.078 0.000 1.079 75 F HN 0.117 nan 8.300 nan 0.000 0.536 76 E N -0.795 119.477 120.200 0.119 0.000 2.216 76 E HA -0.093 4.251 4.350 -0.011 0.000 0.192 76 E C 1.930 178.539 176.600 0.015 0.000 0.988 76 E CA 1.412 57.842 56.400 0.049 0.000 0.834 76 E CB -0.158 29.555 29.700 0.022 0.000 0.772 76 E HN 0.247 nan 8.360 nan 0.000 0.479 77 T N 0.322 114.873 114.554 -0.005 0.000 2.894 77 T HA -0.069 4.274 4.350 -0.011 0.000 0.258 77 T C 0.428 175.109 174.700 -0.031 0.000 1.043 77 T CA 0.875 62.962 62.100 -0.021 0.000 1.141 77 T CB 0.062 68.913 68.868 -0.028 0.000 0.873 77 T HN -0.013 nan 8.240 nan 0.000 0.449 78 D N 0.714 121.080 120.400 -0.057 0.000 2.440 78 D HA 0.288 4.921 4.640 -0.011 0.000 0.239 78 D C 0.961 177.236 176.300 -0.042 0.000 1.084 78 D CA -0.342 53.615 54.000 -0.072 0.000 0.843 78 D CB 1.337 42.054 40.800 -0.139 0.000 1.097 78 D HN 0.106 nan 8.370 nan 0.000 0.531 79 S N 2.499 118.194 115.700 -0.008 0.000 2.522 79 S HA -0.017 4.446 4.470 -0.011 0.000 0.227 79 S C 0.899 175.513 174.600 0.024 0.000 0.986 79 S CA 0.368 58.582 58.200 0.022 0.000 0.929 79 S CB -0.032 63.176 63.200 0.014 0.000 0.769 79 S HN 0.550 nan 8.310 nan 0.000 0.529 80 E N 0.496 120.695 120.200 -0.002 0.000 2.501 80 E HA 0.243 4.586 4.350 -0.011 0.000 0.200 80 E C 1.611 178.205 176.600 -0.010 0.000 1.016 80 E CA -0.378 56.025 56.400 0.005 0.000 0.921 80 E CB 0.162 29.863 29.700 0.002 0.000 1.034 80 E HN 0.460 nan 8.360 nan 0.000 0.468 81 R N 0.784 121.235 120.500 -0.081 0.000 2.091 81 R HA -0.141 4.192 4.340 -0.011 0.000 0.238 81 R C 2.144 178.370 176.300 -0.122 0.000 1.136 81 R CA 1.775 57.731 56.100 -0.240 0.000 0.959 81 R CB -0.331 29.543 30.300 -0.711 0.000 0.856 81 R HN 0.240 nan 8.270 nan 0.000 0.437 82 G N -0.172 108.651 108.800 0.038 0.000 2.432 82 G HA2 -0.276 3.677 3.960 -0.011 0.000 0.219 82 G HA3 -0.276 3.677 3.960 -0.011 0.000 0.219 82 G C 1.166 176.130 174.900 0.105 0.000 1.135 82 G CA 0.639 45.815 45.100 0.126 0.000 0.767 82 G HN 0.429 nan 8.290 nan 0.000 0.550 83 Q N -0.413 119.435 119.800 0.081 0.000 2.089 83 Q HA 0.126 4.459 4.340 -0.011 0.000 0.195 83 Q C 2.771 178.803 176.000 0.052 0.000 0.963 83 Q CA 0.501 56.355 55.803 0.084 0.000 0.834 83 Q CB -0.036 28.733 28.738 0.053 0.000 0.906 83 Q HN 0.321 nan 8.270 nan 0.000 0.452 84 R N -0.395 120.130 120.500 0.042 0.000 2.148 84 R HA -0.077 4.256 4.340 -0.011 0.000 0.227 84 R C 0.355 176.602 176.300 -0.088 0.000 1.103 84 R CA 0.871 56.983 56.100 0.020 0.000 0.983 84 R CB 0.141 30.488 30.300 0.078 0.000 0.874 84 R HN 0.208 nan 8.270 nan 0.000 0.451 85 Y N 0.468 120.570 120.300 -0.329 0.000 2.839 85 Y HA 0.226 4.769 4.550 -0.011 0.000 0.361 85 Y C -0.182 175.203 175.900 -0.858 0.000 1.008 85 Y CA -0.682 56.967 58.100 -0.752 0.000 1.534 85 Y CB 0.428 38.400 38.460 -0.814 0.000 1.395 85 Y HN -0.082 nan 8.280 nan 0.000 0.534 86 S N -1.193 114.342 115.700 -0.275 0.000 2.535 86 S HA 0.818 5.281 4.470 -0.011 0.000 0.272 86 S C -1.509 173.094 174.600 0.005 0.000 1.149 86 S CA -0.802 57.283 58.200 -0.192 0.000 0.888 86 S CB 1.565 64.624 63.200 -0.234 0.000 1.110 86 S HN -0.131 nan 8.310 nan 0.000 0.463 87 V N 2.041 121.945 119.914 -0.016 0.000 2.638 87 V HA 0.593 4.707 4.120 -0.011 0.000 0.306 87 V C -0.451 175.762 176.094 0.199 0.000 1.052 87 V CA -0.698 61.676 62.300 0.123 0.000 0.885 87 V CB 1.931 33.846 31.823 0.152 0.000 0.999 87 V HN 1.000 nan 8.190 nan 0.000 0.424 88 K N 3.499 124.070 120.400 0.285 0.000 2.263 88 K HA 0.689 5.002 4.320 -0.011 0.000 0.272 88 K C -1.356 175.324 176.600 0.133 0.000 1.033 88 K CA -0.404 56.053 56.287 0.285 0.000 0.884 88 K CB 1.593 34.144 32.500 0.084 0.000 1.107 88 K HN 0.528 nan 8.250 nan 0.000 0.460 89 V N 3.421 123.406 119.914 0.118 0.000 2.347 89 V HA 0.151 4.264 4.120 -0.011 0.000 0.280 89 V C 0.155 176.310 176.094 0.101 0.000 1.021 89 V CA -0.798 61.499 62.300 -0.005 0.000 0.847 89 V CB 1.213 32.857 31.823 -0.298 0.000 0.990 89 V HN 0.845 nan 8.190 nan 0.000 0.444 90 S N 4.677 120.434 115.700 0.094 0.000 2.549 90 S HA 0.328 4.792 4.470 -0.011 0.000 0.279 90 S C 0.786 175.441 174.600 0.093 0.000 1.321 90 S CA -0.456 57.822 58.200 0.131 0.000 1.054 90 S CB 0.477 63.734 63.200 0.095 0.000 0.899 90 S HN 0.617 nan 8.310 nan 0.000 0.497 91 L N 4.359 125.643 121.223 0.102 0.000 2.591 91 L HA 0.258 4.591 4.340 -0.011 0.000 0.228 91 L C 1.939 178.839 176.870 0.050 0.000 1.133 91 L CA 0.335 55.211 54.840 0.059 0.000 0.880 91 L CB -0.809 41.273 42.059 0.038 0.000 1.033 91 L HN 1.077 nan 8.230 nan 0.000 0.450 92 G N 0.449 109.286 108.800 0.060 0.000 2.168 92 G HA2 -0.314 3.639 3.960 -0.011 0.000 0.257 92 G HA3 -0.314 3.639 3.960 -0.011 0.000 0.257 92 G C 0.356 175.282 174.900 0.044 0.000 0.997 92 G CA 0.530 45.662 45.100 0.052 0.000 0.708 92 G HN 0.496 nan 8.290 nan 0.000 0.520 93 S N -1.213 114.512 115.700 0.042 0.000 2.687 93 S HA 0.654 5.117 4.470 -0.011 0.000 0.283 93 S C 1.237 175.860 174.600 0.038 0.000 1.170 93 S CA 0.155 58.374 58.200 0.031 0.000 1.008 93 S CB 2.192 65.401 63.200 0.015 0.000 1.026 93 S HN 0.340 nan 8.310 nan 0.000 0.541 94 K N 0.712 121.131 120.400 0.032 0.000 2.103 94 K HA -0.196 4.118 4.320 -0.011 0.000 0.207 94 K C 1.139 177.764 176.600 0.041 0.000 1.048 94 K CA 2.039 58.347 56.287 0.035 0.000 0.930 94 K CB -0.577 31.942 32.500 0.031 0.000 0.716 94 K HN 0.860 nan 8.250 nan 0.000 0.444 95 D N 0.454 120.877 120.400 0.038 0.000 2.378 95 D HA -0.132 4.501 4.640 -0.011 0.000 0.227 95 D C -0.440 175.895 176.300 0.057 0.000 1.012 95 D CA 0.562 54.587 54.000 0.042 0.000 0.905 95 D CB -0.328 40.492 40.800 0.033 0.000 0.895 95 D HN 0.362 nan 8.370 nan 0.000 0.532 96 E N -0.954 119.289 120.200 0.071 0.000 2.513 96 E HA -0.217 4.127 4.350 -0.011 0.000 0.257 96 E C -0.394 176.304 176.600 0.164 0.000 1.098 96 E CA 0.210 56.679 56.400 0.116 0.000 0.752 96 E CB -1.651 28.123 29.700 0.123 0.000 1.324 96 E HN 0.304 nan 8.360 nan 0.000 0.403 97 N N 0.540 119.283 118.700 0.072 0.000 2.453 97 N HA 0.368 5.102 4.740 -0.011 0.000 0.253 97 N C -0.411 175.145 175.510 0.077 0.000 1.252 97 N CA 0.432 53.458 53.050 -0.040 0.000 0.917 97 N CB 0.446 38.890 38.487 -0.071 0.000 1.117 97 N HN 0.178 nan 8.380 nan 0.000 0.442 98 F N 0.098 120.081 119.950 0.054 0.000 2.726 98 F HA 0.667 5.187 4.527 -0.011 0.000 0.324 98 F C -1.506 174.348 175.800 0.090 0.000 1.140 98 F CA -1.345 56.693 58.000 0.063 0.000 0.964 98 F CB 0.808 39.851 39.000 0.072 0.000 1.399 98 F HN 0.156 nan 8.300 nan 0.000 0.491 99 L N 2.387 123.852 121.223 0.403 0.000 2.415 99 L HA 0.549 4.883 4.340 -0.011 0.000 0.268 99 L C -2.022 175.115 176.870 0.444 0.000 0.984 99 L CA -0.681 54.341 54.840 0.304 0.000 0.853 99 L CB 1.157 43.292 42.059 0.126 0.000 1.215 99 L HN 0.664 nan 8.230 nan 0.000 0.419 100 F N 6.332 126.511 119.950 0.382 0.000 2.361 100 F HA 0.586 5.106 4.527 -0.011 0.000 0.364 100 F C -1.108 174.841 175.800 0.248 0.000 1.117 100 F CA -0.853 57.327 58.000 0.299 0.000 1.071 100 F CB 1.286 40.502 39.000 0.359 0.000 1.188 100 F HN 0.456 nan 8.300 nan 0.000 0.464 101 L N 6.942 128.027 121.223 -0.230 0.000 2.264 101 L HA 0.421 4.755 4.340 -0.011 0.000 0.289 101 L C -1.019 175.592 176.870 -0.431 0.000 1.044 101 L CA 0.014 54.745 54.840 -0.182 0.000 0.807 101 L CB 0.784 42.850 42.059 0.011 0.000 1.192 101 L HN 0.568 nan 8.230 nan 0.000 0.425 102 D N 3.971 124.181 120.400 -0.317 0.000 2.441 102 D HA 0.156 4.789 4.640 -0.011 0.000 0.231 102 D C -0.476 175.833 176.300 0.016 0.000 1.073 102 D CA -0.252 53.588 54.000 -0.266 0.000 0.850 102 D CB 0.700 41.404 40.800 -0.159 0.000 1.062 102 D HN 0.571 nan 8.370 nan 0.000 0.524 103 Y N 1.672 121.971 120.300 -0.002 0.000 2.681 103 Y HA 0.219 4.763 4.550 -0.011 0.000 0.267 103 Y C 1.614 177.603 175.900 0.150 0.000 1.166 103 Y CA -0.262 57.891 58.100 0.088 0.000 1.209 103 Y CB -0.379 38.134 38.460 0.088 0.000 1.161 103 Y HN 0.190 nan 8.280 nan 0.000 0.534 104 S N 0.371 116.000 115.700 -0.119 0.000 2.423 104 S HA -0.079 4.384 4.470 -0.011 0.000 0.231 104 S C 0.822 175.428 174.600 0.010 0.000 1.014 104 S CA 0.352 58.454 58.200 -0.162 0.000 0.965 104 S CB -0.381 62.739 63.200 -0.134 0.000 0.785 104 S HN 0.460 nan 8.310 nan 0.000 0.495 105 K N 3.121 123.620 120.400 0.165 0.000 2.278 105 K HA 0.254 4.567 4.320 -0.011 0.000 0.237 105 K C -0.378 176.317 176.600 0.158 0.000 1.229 105 K CA -0.010 56.389 56.287 0.187 0.000 1.155 105 K CB -0.258 32.284 32.500 0.069 0.000 1.590 105 K HN 0.569 nan 8.250 nan 0.000 0.290 106 S N -0.584 115.218 115.700 0.169 0.000 2.570 106 S HA 0.248 4.711 4.470 -0.011 0.000 0.270 106 S C -0.583 174.169 174.600 0.254 0.000 1.149 106 S CA -1.116 57.281 58.200 0.329 0.000 0.837 106 S CB 0.681 64.144 63.200 0.437 0.000 1.124 106 S HN 0.490 nan 8.310 nan 0.000 0.465 107 H N 0.782 120.105 119.070 0.421 0.000 2.983 107 H HA 0.523 5.072 4.556 -0.011 0.000 0.222 107 H C -0.678 174.836 175.328 0.310 0.000 1.828 107 H CA -0.035 56.297 56.048 0.473 0.000 1.309 107 H CB -0.770 29.388 29.762 0.661 0.000 1.644 107 H HN 0.391 nan 8.280 nan 0.000 0.561 108 I N 2.084 122.636 120.570 -0.030 0.000 2.439 108 I HA 0.168 4.331 4.170 -0.011 0.000 0.285 108 I C -0.348 175.452 176.117 -0.528 0.000 1.021 108 I CA -1.043 60.097 61.300 -0.266 0.000 1.091 108 I CB 1.288 39.221 38.000 -0.112 0.000 1.242 108 I HN 0.391 nan 8.210 nan 0.000 0.439 109 N N 3.495 121.889 118.700 -0.509 0.000 2.530 109 N HA 0.272 5.006 4.740 -0.011 0.000 0.283 109 N C 0.303 175.708 175.510 -0.174 0.000 1.238 109 N CA -0.672 52.096 53.050 -0.470 0.000 0.971 109 N CB 0.539 38.748 38.487 -0.462 0.000 1.195 109 N HN 0.296 nan 8.380 nan 0.000 0.583 110 D N -0.386 119.953 120.400 -0.101 0.000 2.182 110 D HA -0.138 4.495 4.640 -0.011 0.000 0.201 110 D C 1.034 177.259 176.300 -0.126 0.000 0.986 110 D CA 1.296 55.260 54.000 -0.059 0.000 0.847 110 D CB -0.031 40.741 40.800 -0.048 0.000 0.942 110 D HN 0.676 nan 8.370 nan 0.000 0.467 111 E N 0.013 120.111 120.200 -0.171 0.000 2.072 111 E HA -0.059 4.284 4.350 -0.011 0.000 0.190 111 E C 2.292 178.793 176.600 -0.165 0.000 0.982 111 E CA 0.400 56.719 56.400 -0.135 0.000 0.803 111 E CB 0.072 29.711 29.700 -0.102 0.000 0.755 111 E HN 0.292 nan 8.360 nan 0.000 0.453 112 I N 1.215 121.632 120.570 -0.256 0.000 2.252 112 I HA -0.244 3.919 4.170 -0.011 0.000 0.245 112 I C 2.555 178.422 176.117 -0.417 0.000 1.102 112 I CA 0.995 62.029 61.300 -0.443 0.000 1.385 112 I CB -0.131 37.449 38.000 -0.701 0.000 1.064 112 I HN -0.005 nan 8.210 nan 0.000 0.414 113 K N 0.483 120.707 120.400 -0.294 0.000 2.032 113 K HA -0.283 4.030 4.320 -0.011 0.000 0.209 113 K C 2.423 178.905 176.600 -0.196 0.000 1.048 113 K CA 2.046 58.196 56.287 -0.229 0.000 0.927 113 K CB -0.360 32.024 32.500 -0.193 0.000 0.712 113 K HN 0.472 nan 8.250 nan 0.000 0.441 114 C N 0.458 119.659 119.300 -0.164 0.000 2.429 114 C HA -0.012 4.441 4.460 -0.011 0.000 0.277 114 C C 2.785 177.710 174.990 -0.109 0.000 1.262 114 C CA 1.318 60.263 59.018 -0.121 0.000 1.733 114 C CB -1.058 26.625 27.740 -0.096 0.000 2.010 114 C HN 0.588 nan 8.230 nan 0.000 0.483 115 A N 0.146 122.887 122.820 -0.132 0.000 1.969 115 A HA 0.040 4.353 4.320 -0.011 0.000 0.218 115 A C 2.233 179.755 177.584 -0.103 0.000 1.169 115 A CA 1.569 53.541 52.037 -0.108 0.000 0.635 115 A CB -0.616 18.303 19.000 -0.134 0.000 0.810 115 A HN 0.693 nan 8.150 nan 0.000 0.445 116 L N -0.795 120.329 121.223 -0.166 0.000 2.093 116 L HA -0.124 4.209 4.340 -0.011 0.000 0.208 116 L C 2.413 179.245 176.870 -0.063 0.000 1.085 116 L CA 0.899 55.668 54.840 -0.119 0.000 0.755 116 L CB -0.433 41.515 42.059 -0.185 0.000 0.904 116 L HN 0.365 nan 8.230 nan 0.000 0.435 117 L N -0.878 120.292 121.223 -0.088 0.000 2.156 117 L HA -0.140 4.193 4.340 -0.011 0.000 0.208 117 L C 2.662 179.507 176.870 -0.042 0.000 1.095 117 L CA 0.622 55.418 54.840 -0.072 0.000 0.770 117 L CB -0.341 41.662 42.059 -0.094 0.000 0.914 117 L HN 0.145 nan 8.230 nan 0.000 0.439 118 R N 0.182 120.663 120.500 -0.032 0.000 2.115 118 R HA -0.127 4.206 4.340 -0.011 0.000 0.230 118 R C 2.049 178.366 176.300 0.029 0.000 1.111 118 R CA 0.969 57.065 56.100 -0.006 0.000 0.976 118 R CB -0.376 29.922 30.300 -0.003 0.000 0.870 118 R HN 0.144 nan 8.270 nan 0.000 0.445 119 L N -0.097 121.158 121.223 0.054 0.000 2.056 119 L HA 0.043 4.376 4.340 -0.011 0.000 0.207 119 L C 1.961 178.878 176.870 0.079 0.000 1.078 119 L CA 2.136 57.047 54.840 0.120 0.000 0.749 119 L CB -0.888 41.290 42.059 0.199 0.000 0.901 119 L HN 0.201 nan 8.230 nan 0.000 0.433 120 A N -0.975 121.866 122.820 0.036 0.000 1.933 120 A HA -0.235 4.079 4.320 -0.011 0.000 0.218 120 A C 2.262 179.842 177.584 -0.007 0.000 1.175 120 A CA 1.738 53.778 52.037 0.006 0.000 0.628 120 A CB -0.598 18.391 19.000 -0.019 0.000 0.814 120 A HN 0.526 nan 8.150 nan 0.000 0.444 121 E N -0.286 119.908 120.200 -0.009 0.000 2.072 121 E HA -0.159 4.184 4.350 -0.011 0.000 0.190 121 E C 1.963 178.564 176.600 0.001 0.000 0.982 121 E CA 1.414 57.805 56.400 -0.015 0.000 0.803 121 E CB -0.139 29.549 29.700 -0.020 0.000 0.755 121 E HN 0.737 nan 8.360 nan 0.000 0.453 122 E N -0.435 119.778 120.200 0.021 0.000 2.152 122 E HA -0.129 4.215 4.350 -0.011 0.000 0.192 122 E C 1.465 178.079 176.600 0.024 0.000 0.983 122 E CA 0.636 57.054 56.400 0.031 0.000 0.818 122 E CB 0.170 29.905 29.700 0.058 0.000 0.758 122 E HN -0.026 nan 8.360 nan 0.000 0.467 123 R N -0.306 120.206 120.500 0.021 0.000 2.310 123 R HA 0.097 4.430 4.340 -0.011 0.000 0.202 123 R C 0.846 177.137 176.300 -0.015 0.000 0.933 123 R CA 0.740 56.837 56.100 -0.004 0.000 1.054 123 R CB 0.010 30.303 30.300 -0.012 0.000 0.985 123 R HN 0.309 nan 8.270 nan 0.000 0.489 124 G N 2.115 110.914 108.800 -0.001 0.000 2.295 124 G HA2 -0.224 3.729 3.960 -0.011 0.000 0.287 124 G HA3 -0.224 3.729 3.960 -0.011 0.000 0.287 124 G C 0.846 175.766 174.900 0.034 0.000 1.055 124 G CA 0.134 45.241 45.100 0.011 0.000 0.922 124 G HN 0.199 nan 8.290 nan 0.000 0.503 125 I N 0.059 120.635 120.570 0.010 0.000 2.208 125 I HA -0.144 4.019 4.170 -0.011 0.000 0.245 125 I C 2.722 178.837 176.117 -0.004 0.000 1.097 125 I CA 2.052 63.374 61.300 0.038 0.000 1.363 125 I CB -0.985 37.019 38.000 0.007 0.000 1.051 125 I HN 0.546 nan 8.210 nan 0.000 0.413 126 R N 0.817 121.262 120.500 -0.090 0.000 2.091 126 R HA -0.230 4.103 4.340 -0.011 0.000 0.238 126 R C 2.247 178.462 176.300 -0.141 0.000 1.136 126 R CA 1.726 57.718 56.100 -0.180 0.000 0.959 126 R CB -0.001 30.198 30.300 -0.169 0.000 0.856 126 R HN 0.344 nan 8.270 nan 0.000 0.437 127 Q N -0.702 119.068 119.800 -0.051 0.000 2.119 127 Q HA -0.116 4.217 4.340 -0.011 0.000 0.201 127 Q C 1.623 177.638 176.000 0.026 0.000 0.972 127 Q CA 1.534 57.324 55.803 -0.022 0.000 0.847 127 Q CB -0.266 28.480 28.738 0.013 0.000 0.903 127 Q HN 0.324 nan 8.270 nan 0.000 0.433 128 F N -0.266 119.646 119.950 -0.063 0.000 2.163 128 F HA -0.131 4.389 4.527 -0.011 0.000 0.297 128 F C 1.771 177.559 175.800 -0.020 0.000 1.094 128 F CA 0.730 58.723 58.000 -0.013 0.000 1.290 128 F CB -0.133 38.883 39.000 0.026 0.000 1.017 128 F HN -0.157 nan 8.300 nan 0.000 0.483 129 V N 0.460 120.336 119.914 -0.063 0.000 2.295 129 V HA -0.302 3.811 4.120 -0.011 0.000 0.246 129 V C 2.462 178.359 176.094 -0.327 0.000 1.049 129 V CA 1.954 64.102 62.300 -0.253 0.000 1.024 129 V CB -0.720 30.750 31.823 -0.589 0.000 0.648 129 V HN 0.329 nan 8.190 nan 0.000 0.447 130 Q N -0.273 119.346 119.800 -0.301 0.000 2.124 130 Q HA -0.135 4.198 4.340 -0.011 0.000 0.202 130 Q C 2.506 178.426 176.000 -0.134 0.000 0.977 130 Q CA 1.818 57.486 55.803 -0.224 0.000 0.850 130 Q CB -0.567 28.059 28.738 -0.185 0.000 0.901 130 Q HN 0.629 nan 8.270 nan 0.000 0.429 131 S N 0.250 115.849 115.700 -0.168 0.000 2.368 131 S HA -0.076 4.387 4.470 -0.011 0.000 0.224 131 S C 2.186 176.652 174.600 -0.224 0.000 1.029 131 S CA 0.970 59.062 58.200 -0.180 0.000 0.988 131 S CB -0.121 62.964 63.200 -0.192 0.000 0.838 131 S HN 0.136 nan 8.310 nan 0.000 0.462 132 V N 1.049 120.782 119.914 -0.301 0.000 2.307 132 V HA -0.127 3.986 4.120 -0.011 0.000 0.245 132 V C 1.950 177.962 176.094 -0.136 0.000 1.045 132 V CA 1.617 63.753 62.300 -0.273 0.000 1.024 132 V CB -0.772 30.910 31.823 -0.235 0.000 0.651 132 V HN 0.383 nan 8.190 nan 0.000 0.449 133 F N 1.112 120.887 119.950 -0.292 0.000 2.216 133 F HA -0.110 4.410 4.527 -0.011 0.000 0.300 133 F C 2.477 178.137 175.800 -0.233 0.000 1.085 133 F CA 1.677 59.528 58.000 -0.248 0.000 1.326 133 F CB -0.515 38.363 39.000 -0.203 0.000 1.027 133 F HN 0.218 nan 8.300 nan 0.000 0.497 134 R N 0.001 120.482 120.500 -0.032 0.000 2.297 134 R HA 0.308 4.642 4.340 -0.011 0.000 0.197 134 R C 1.270 177.489 176.300 -0.136 0.000 0.943 134 R CA 0.898 56.955 56.100 -0.072 0.000 1.038 134 R CB -0.299 29.977 30.300 -0.040 0.000 0.957 134 R HN 0.203 nan 8.270 nan 0.000 0.484 135 G N 0.826 109.505 108.800 -0.201 0.000 2.134 135 G HA2 -0.250 3.703 3.960 -0.011 0.000 0.209 135 G HA3 -0.250 3.703 3.960 -0.011 0.000 0.209 135 G C -0.550 174.250 174.900 -0.166 0.000 0.993 135 G CA -0.095 44.855 45.100 -0.250 0.000 0.669 135 G HN 0.479 nan 8.290 nan 0.000 0.519 136 E N -0.082 120.038 120.200 -0.133 0.000 2.383 136 E HA 0.287 4.630 4.350 -0.011 0.000 0.264 136 E C 0.668 177.226 176.600 -0.070 0.000 1.050 136 E CA -0.467 55.883 56.400 -0.084 0.000 0.896 136 E CB 0.553 30.208 29.700 -0.075 0.000 0.982 136 E HN 0.318 nan 8.360 nan 0.000 0.424 137 R N 1.763 122.256 120.500 -0.012 0.000 4.559 137 R HA -0.027 4.306 4.340 -0.011 0.000 0.177 137 R C 1.312 177.655 176.300 0.072 0.000 1.875 137 R CA -0.156 55.965 56.100 0.035 0.000 1.509 137 R CB -0.632 29.705 30.300 0.063 0.000 1.395 137 R HN 0.397 nan 8.270 nan 0.000 0.830 138 V N -1.893 118.045 119.914 0.040 0.000 2.759 138 V HA -0.126 3.987 4.120 -0.011 0.000 0.256 138 V C 0.986 177.246 176.094 0.278 0.000 1.080 138 V CA 1.039 63.416 62.300 0.129 0.000 1.101 138 V CB -0.393 31.381 31.823 -0.082 0.000 0.698 138 V HN 0.374 nan 8.190 nan 0.000 0.477 139 N N 2.292 121.132 118.700 0.234 0.000 2.807 139 N HA 0.060 4.793 4.740 -0.011 0.000 0.259 139 N C 1.256 176.917 175.510 0.251 0.000 1.149 139 N CA 0.796 54.030 53.050 0.306 0.000 1.042 139 N CB 0.480 39.132 38.487 0.275 0.000 1.367 139 N HN 0.682 nan 8.380 nan 0.000 0.516 140 T N -1.429 113.277 114.554 0.254 0.000 2.833 140 T HA -0.199 4.144 4.350 -0.011 0.000 0.269 140 T C 1.789 176.623 174.700 0.223 0.000 1.054 140 T CA 1.886 64.113 62.100 0.212 0.000 1.135 140 T CB -0.647 68.336 68.868 0.191 0.000 0.869 140 T HN 0.456 nan 8.240 nan 0.000 0.466 141 T N 0.351 115.080 114.554 0.292 0.000 2.904 141 T HA 0.031 4.374 4.350 -0.011 0.000 0.267 141 T C 1.696 176.660 174.700 0.440 0.000 1.059 141 T CA 0.972 63.292 62.100 0.366 0.000 1.137 141 T CB -0.318 68.901 68.868 0.585 0.000 0.879 141 T HN 0.592 nan 8.240 nan 0.000 0.467 142 E N 1.030 121.460 120.200 0.383 0.000 2.481 142 E HA 0.177 4.520 4.350 -0.011 0.000 0.198 142 E C 0.213 176.946 176.600 0.222 0.000 1.027 142 E CA -0.332 56.260 56.400 0.320 0.000 0.900 142 E CB -0.012 29.814 29.700 0.210 0.000 0.993 142 E HN 0.619 nan 8.360 nan 0.000 0.482 143 N N 1.532 120.353 118.700 0.201 0.000 2.714 143 N HA -0.206 4.528 4.740 -0.011 0.000 0.253 143 N C -0.960 174.637 175.510 0.145 0.000 1.024 143 N CA 0.173 53.316 53.050 0.155 0.000 0.726 143 N CB -0.272 38.295 38.487 0.132 0.000 0.908 143 N HN 0.083 nan 8.380 nan 0.000 0.542 144 R N 0.080 120.674 120.500 0.156 0.000 2.744 144 R HA 0.553 4.886 4.340 -0.011 0.000 0.279 144 R C -2.487 173.890 176.300 0.128 0.000 0.977 144 R CA -1.490 54.705 56.100 0.160 0.000 0.906 144 R CB 1.699 32.108 30.300 0.182 0.000 1.197 144 R HN 0.036 nan 8.270 nan 0.000 0.463 145 P HA 0.141 nan 4.420 nan 0.000 0.274 145 P C -1.056 176.250 177.300 0.010 0.000 1.256 145 P CA -0.424 62.676 63.100 0.000 0.000 0.795 145 P CB 0.680 32.318 31.700 -0.103 0.000 1.038 146 V N 2.305 122.109 119.914 -0.184 0.000 2.327 146 V HA 0.241 4.354 4.120 -0.011 0.000 0.272 146 V C 0.078 175.911 176.094 -0.435 0.000 1.019 146 V CA 0.024 62.131 62.300 -0.322 0.000 0.814 146 V CB 0.363 31.736 31.823 -0.750 0.000 1.040 146 V HN 0.416 nan 8.190 nan 0.000 0.440 147 L N 4.836 125.935 121.223 -0.207 0.000 3.096 147 L HA 0.334 4.667 4.340 -0.011 0.000 0.272 147 L C 1.733 178.552 176.870 -0.084 0.000 1.311 147 L CA -0.297 54.319 54.840 -0.373 0.000 0.943 147 L CB 0.071 41.659 42.059 -0.786 0.000 1.348 147 L HN 0.764 nan 8.230 nan 0.000 0.562 148 H N -0.073 119.006 119.070 0.016 0.000 2.491 148 H HA -0.102 4.448 4.556 -0.011 0.000 0.290 148 H C 1.988 177.257 175.328 -0.099 0.000 1.050 148 H CA 1.333 57.450 56.048 0.115 0.000 1.309 148 H CB -0.199 29.672 29.762 0.182 0.000 1.392 148 H HN 0.607 nan 8.280 nan 0.000 0.554 149 I N 0.104 120.423 120.570 -0.419 0.000 2.614 149 I HA 0.053 4.216 4.170 -0.011 0.000 0.258 149 I C 2.545 178.478 176.117 -0.306 0.000 1.189 149 I CA 1.178 62.206 61.300 -0.454 0.000 1.462 149 I CB -0.446 37.011 38.000 -0.905 0.000 1.092 149 I HN 0.145 nan 8.210 nan 0.000 0.442 150 A N 1.528 124.186 122.820 -0.271 0.000 1.968 150 A HA 0.088 4.402 4.320 -0.011 0.000 0.217 150 A C 2.241 179.811 177.584 -0.023 0.000 1.169 150 A CA 1.376 53.284 52.037 -0.214 0.000 0.638 150 A CB -0.951 17.802 19.000 -0.411 0.000 0.812 150 A HN 0.538 nan 8.150 nan 0.000 0.446 151 L N -0.232 121.072 121.223 0.135 0.000 2.191 151 L HA -0.127 4.206 4.340 -0.011 0.000 0.212 151 L C 2.385 179.346 176.870 0.151 0.000 1.103 151 L CA 1.462 56.459 54.840 0.261 0.000 0.769 151 L CB -0.332 41.983 42.059 0.427 0.000 0.908 151 L HN 0.530 nan 8.230 nan 0.000 0.438 152 R N -0.643 119.856 120.500 -0.002 0.000 2.509 152 R HA 0.095 4.428 4.340 -0.011 0.000 0.300 152 R C 0.209 176.425 176.300 -0.140 0.000 0.985 152 R CA -0.206 55.852 56.100 -0.070 0.000 1.092 152 R CB -0.652 29.518 30.300 -0.217 0.000 1.237 152 R HN 0.051 nan 8.270 nan 0.000 0.546 153 N N 2.355 120.965 118.700 -0.150 0.000 2.498 153 N HA -0.002 4.731 4.740 -0.011 0.000 0.277 153 N C 0.510 175.751 175.510 -0.448 0.000 1.208 153 N CA -0.142 52.740 53.050 -0.280 0.000 1.029 153 N CB 0.550 38.951 38.487 -0.143 0.000 1.403 153 N HN 0.053 nan 8.380 nan 0.000 0.500 154 R N 0.809 120.793 120.500 -0.860 0.000 2.189 154 R HA -0.058 4.275 4.340 -0.011 0.000 0.223 154 R C 1.739 177.843 176.300 -0.327 0.000 1.092 154 R CA 0.938 56.740 56.100 -0.497 0.000 0.989 154 R CB -0.988 29.077 30.300 -0.391 0.000 0.876 154 R HN 0.665 nan 8.270 nan 0.000 0.457 155 S N 0.727 116.212 115.700 -0.358 0.000 2.453 155 S HA -0.077 4.386 4.470 -0.011 0.000 0.231 155 S C 0.696 175.258 174.600 -0.064 0.000 1.005 155 S CA 0.318 58.479 58.200 -0.065 0.000 0.949 155 S CB -0.169 63.093 63.200 0.105 0.000 0.774 155 S HN 0.264 nan 8.310 nan 0.000 0.510 156 N N 1.425 120.059 118.700 -0.110 0.000 2.741 156 N HA -0.166 4.567 4.740 -0.011 0.000 0.251 156 N C -0.029 175.434 175.510 -0.079 0.000 1.112 156 N CA 1.155 54.152 53.050 -0.089 0.000 0.750 156 N CB -1.450 37.002 38.487 -0.059 0.000 1.119 156 N HN 0.893 nan 8.380 nan 0.000 0.561 157 R N 1.260 121.722 120.500 -0.062 0.000 2.522 157 R HA 0.161 4.494 4.340 -0.011 0.000 0.284 157 R C -2.306 173.917 176.300 -0.129 0.000 1.032 157 R CA -0.550 55.517 56.100 -0.055 0.000 1.049 157 R CB 0.202 30.496 30.300 -0.010 0.000 0.956 157 R HN -0.009 nan 8.270 nan 0.000 0.422 158 P HA 0.022 nan 4.420 nan 0.000 0.264 158 P C -0.670 176.340 177.300 -0.483 0.000 1.193 158 P CA 0.352 63.230 63.100 -0.371 0.000 0.763 158 P CB 0.560 32.062 31.700 -0.329 0.000 0.810 159 I N 4.450 124.643 120.570 -0.628 0.000 2.439 159 I HA 0.268 4.431 4.170 -0.011 0.000 0.285 159 I C -0.240 175.495 176.117 -0.637 0.000 1.021 159 I CA -0.976 60.017 61.300 -0.512 0.000 1.091 159 I CB 1.094 38.841 38.000 -0.423 0.000 1.242 159 I HN 0.248 nan 8.210 nan 0.000 0.439 160 Y N 5.320 125.501 120.300 -0.198 0.000 2.323 160 Y HA 0.607 5.151 4.550 -0.011 0.000 0.331 160 Y C 0.070 175.850 175.900 -0.201 0.000 1.092 160 Y CA -0.892 57.103 58.100 -0.175 0.000 1.150 160 Y CB 1.522 39.914 38.460 -0.113 0.000 1.200 160 Y HN 0.154 nan 8.280 nan 0.000 0.472 161 V N 3.340 123.240 119.914 -0.022 0.000 2.524 161 V HA 0.216 4.329 4.120 -0.011 0.000 0.297 161 V C -0.811 175.306 176.094 0.040 0.000 1.035 161 V CA -1.170 61.102 62.300 -0.046 0.000 0.867 161 V CB 1.439 33.185 31.823 -0.129 0.000 1.004 161 V HN 0.927 nan 8.190 nan 0.000 0.426 162 D N 4.033 124.460 120.400 0.044 0.000 2.907 162 D HA -0.180 4.454 4.640 -0.011 0.000 0.226 162 D C 1.331 177.660 176.300 0.048 0.000 1.141 162 D CA 1.779 55.808 54.000 0.048 0.000 0.779 162 D CB -1.114 39.724 40.800 0.064 0.000 1.095 162 D HN 1.481 nan 8.370 nan 0.000 0.430 163 G N -0.026 108.804 108.800 0.050 0.000 2.189 163 G HA2 -0.381 3.572 3.960 -0.011 0.000 0.267 163 G HA3 -0.381 3.572 3.960 -0.011 0.000 0.267 163 G C 0.301 175.288 174.900 0.146 0.000 0.975 163 G CA 0.980 46.092 45.100 0.021 0.000 0.644 163 G HN 0.608 nan 8.290 nan 0.000 0.537 164 K N 0.631 121.152 120.400 0.201 0.000 2.244 164 K HA 0.444 4.757 4.320 -0.011 0.000 0.260 164 K C -0.890 175.779 176.600 0.115 0.000 0.951 164 K CA -0.838 55.565 56.287 0.193 0.000 0.826 164 K CB 0.941 33.493 32.500 0.086 0.000 1.108 164 K HN 0.015 nan 8.250 nan 0.000 0.433 165 D N 3.180 123.571 120.400 -0.015 0.000 2.417 165 D HA -0.038 4.595 4.640 -0.011 0.000 0.250 165 D C 1.058 177.206 176.300 -0.253 0.000 1.166 165 D CA -0.151 53.607 54.000 -0.403 0.000 0.881 165 D CB 1.365 41.929 40.800 -0.393 0.000 1.164 165 D HN 0.329 nan 8.370 nan 0.000 0.467 166 V N 2.171 121.884 119.914 -0.336 0.000 3.406 166 V HA -0.076 4.037 4.120 -0.011 0.000 0.263 166 V C 1.959 177.901 176.094 -0.253 0.000 1.172 166 V CA 0.258 62.382 62.300 -0.293 0.000 1.140 166 V CB -0.434 31.133 31.823 -0.428 0.000 0.784 166 V HN 0.434 nan 8.190 nan 0.000 0.467 167 M N 0.821 120.278 119.600 -0.238 0.000 2.149 167 M HA -0.001 4.473 4.480 -0.011 0.000 0.261 167 M C 0.178 176.435 176.300 -0.071 0.000 1.064 167 M CA 1.579 56.788 55.300 -0.152 0.000 1.102 167 M CB -2.615 29.891 32.600 -0.157 0.000 1.369 167 M HN 0.339 nan 8.290 nan 0.000 0.408 168 P HA -0.056 nan 4.420 nan 0.000 0.216 168 P C 1.384 178.710 177.300 0.044 0.000 1.153 168 P CA 1.946 65.045 63.100 -0.001 0.000 0.848 168 P CB -0.131 31.568 31.700 -0.002 0.000 0.787 169 A N -0.745 122.088 122.820 0.022 0.000 1.930 169 A HA -0.140 4.174 4.320 -0.011 0.000 0.217 169 A C 2.319 180.047 177.584 0.239 0.000 1.175 169 A CA 1.621 53.734 52.037 0.126 0.000 0.627 169 A CB -1.669 17.350 19.000 0.030 0.000 0.815 169 A HN 0.004 nan 8.150 nan 0.000 0.443 170 V N 1.125 121.068 119.914 0.048 0.000 2.261 170 V HA -0.251 3.862 4.120 -0.011 0.000 0.246 170 V C 2.195 178.455 176.094 0.276 0.000 1.047 170 V CA 2.153 64.582 62.300 0.215 0.000 1.015 170 V CB -0.855 31.026 31.823 0.097 0.000 0.642 170 V HN 0.573 nan 8.190 nan 0.000 0.446 171 N N -0.041 118.760 118.700 0.169 0.000 2.331 171 N HA -0.144 4.589 4.740 -0.011 0.000 0.180 171 N C 1.813 177.425 175.510 0.170 0.000 1.019 171 N CA 1.033 54.181 53.050 0.164 0.000 0.881 171 N CB -0.230 38.319 38.487 0.103 0.000 0.972 171 N HN 0.520 nan 8.380 nan 0.000 0.435 172 K N 1.066 121.568 120.400 0.170 0.000 2.057 172 K HA -0.016 4.297 4.320 -0.011 0.000 0.206 172 K C 1.728 178.432 176.600 0.173 0.000 1.050 172 K CA 0.722 57.097 56.287 0.148 0.000 0.935 172 K CB 0.173 32.757 32.500 0.141 0.000 0.715 172 K HN -0.127 nan 8.250 nan 0.000 0.439 173 V N 1.642 121.709 119.914 0.255 0.000 2.358 173 V HA -0.211 3.903 4.120 -0.011 0.000 0.246 173 V C 2.239 178.490 176.094 0.262 0.000 1.047 173 V CA 1.372 63.831 62.300 0.265 0.000 1.035 173 V CB -0.297 31.731 31.823 0.342 0.000 0.658 173 V HN 0.314 nan 8.190 nan 0.000 0.452 174 L N 0.094 121.481 121.223 0.275 0.000 2.131 174 L HA -0.206 4.127 4.340 -0.011 0.000 0.210 174 L C 2.265 179.264 176.870 0.215 0.000 1.092 174 L CA 2.054 57.069 54.840 0.290 0.000 0.759 174 L CB -0.519 41.757 42.059 0.361 0.000 0.903 174 L HN 0.439 nan 8.230 nan 0.000 0.435 175 D N -0.728 119.758 120.400 0.144 0.000 2.149 175 D HA -0.239 4.394 4.640 -0.011 0.000 0.201 175 D C 2.251 178.584 176.300 0.054 0.000 0.972 175 D CA 0.811 54.833 54.000 0.036 0.000 0.835 175 D CB 0.152 40.979 40.800 0.044 0.000 0.966 175 D HN 0.205 nan 8.370 nan 0.000 0.476 176 Q N -0.496 119.376 119.800 0.120 0.000 2.119 176 Q HA -0.163 4.170 4.340 -0.011 0.000 0.201 176 Q C 2.079 178.278 176.000 0.332 0.000 0.972 176 Q CA 1.089 56.985 55.803 0.155 0.000 0.847 176 Q CB -0.017 28.761 28.738 0.066 0.000 0.903 176 Q HN 0.383 nan 8.270 nan 0.000 0.433 177 M N -0.354 119.432 119.600 0.310 0.000 2.175 177 M HA -0.149 4.324 4.480 -0.011 0.000 0.264 177 M C 2.352 178.709 176.300 0.095 0.000 1.063 177 M CA 1.411 56.823 55.300 0.188 0.000 1.119 177 M CB -0.193 32.417 32.600 0.016 0.000 1.377 177 M HN 0.131 nan 8.290 nan 0.000 0.415 178 R N -0.313 120.199 120.500 0.020 0.000 2.070 178 R HA -0.165 4.169 4.340 -0.011 0.000 0.233 178 R C 2.414 178.676 176.300 -0.063 0.000 1.137 178 R CA 2.027 58.036 56.100 -0.153 0.000 0.945 178 R CB -0.392 29.544 30.300 -0.607 0.000 0.845 178 R HN 0.244 nan 8.270 nan 0.000 0.430 179 S N -0.342 115.361 115.700 0.005 0.000 2.353 179 S HA -0.206 4.257 4.470 -0.011 0.000 0.222 179 S C 1.707 176.382 174.600 0.124 0.000 1.035 179 S CA 1.568 59.807 58.200 0.064 0.000 1.025 179 S CB -0.470 62.793 63.200 0.104 0.000 0.902 179 S HN 0.461 nan 8.310 nan 0.000 0.440 180 F N 2.518 122.497 119.950 0.048 0.000 2.113 180 F HA -0.060 4.460 4.527 -0.011 0.000 0.297 180 F C 2.718 178.459 175.800 -0.098 0.000 1.103 180 F CA 1.953 59.953 58.000 -0.000 0.000 1.248 180 F CB -0.867 38.189 39.000 0.093 0.000 0.999 180 F HN 0.401 nan 8.300 nan 0.000 0.475 181 S N -0.423 115.226 115.700 -0.085 0.000 2.370 181 S HA -0.244 4.219 4.470 -0.011 0.000 0.226 181 S C 1.874 176.365 174.600 -0.181 0.000 1.033 181 S CA 1.534 59.621 58.200 -0.187 0.000 1.011 181 S CB -0.882 62.261 63.200 -0.095 0.000 0.852 181 S HN 0.617 nan 8.310 nan 0.000 0.457 182 E N 1.365 121.503 120.200 -0.103 0.000 2.072 182 E HA -0.073 4.270 4.350 -0.011 0.000 0.191 182 E C 2.246 178.794 176.600 -0.086 0.000 0.985 182 E CA 1.058 57.416 56.400 -0.069 0.000 0.801 182 E CB -0.113 29.566 29.700 -0.034 0.000 0.750 182 E HN 0.587 nan 8.360 nan 0.000 0.452 183 K N 0.327 120.665 120.400 -0.103 0.000 2.097 183 K HA -0.124 4.189 4.320 -0.011 0.000 0.206 183 K C 2.118 178.665 176.600 -0.089 0.000 1.049 183 K CA 1.038 57.298 56.287 -0.045 0.000 0.933 183 K CB 0.020 32.563 32.500 0.072 0.000 0.717 183 K HN -0.009 nan 8.250 nan 0.000 0.442 184 V N 1.051 120.785 119.914 -0.299 0.000 2.283 184 V HA -0.200 3.914 4.120 -0.011 0.000 0.243 184 V C 2.180 178.176 176.094 -0.163 0.000 1.039 184 V CA 1.540 63.663 62.300 -0.296 0.000 1.016 184 V CB -0.416 31.077 31.823 -0.550 0.000 0.650 184 V HN 0.248 nan 8.190 nan 0.000 0.449 185 R N 0.615 121.023 120.500 -0.154 0.000 2.091 185 R HA -0.158 4.175 4.340 -0.011 0.000 0.238 185 R C 2.389 178.649 176.300 -0.065 0.000 1.136 185 R CA 2.026 58.067 56.100 -0.098 0.000 0.959 185 R CB -0.747 29.508 30.300 -0.076 0.000 0.856 185 R HN 0.738 nan 8.270 nan 0.000 0.437 186 T N -3.534 110.988 114.554 -0.053 0.000 3.055 186 T HA 0.120 4.463 4.350 -0.011 0.000 0.265 186 T C 1.474 176.157 174.700 -0.028 0.000 1.111 186 T CA 0.812 62.893 62.100 -0.033 0.000 1.118 186 T CB 0.476 69.331 68.868 -0.021 0.000 0.909 186 T HN 0.445 nan 8.240 nan 0.000 0.501 187 G N 0.894 109.676 108.800 -0.029 0.000 2.176 187 G HA2 -0.271 3.683 3.960 -0.011 0.000 0.232 187 G HA3 -0.271 3.683 3.960 -0.011 0.000 0.232 187 G C 0.608 175.508 174.900 -0.001 0.000 0.986 187 G CA 0.463 45.552 45.100 -0.018 0.000 0.643 187 G HN 0.543 nan 8.290 nan 0.000 0.522 188 E N -0.850 119.356 120.200 0.009 0.000 2.106 188 E HA -0.070 4.274 4.350 -0.011 0.000 0.192 188 E C 0.717 177.330 176.600 0.022 0.000 0.984 188 E CA 0.145 56.552 56.400 0.012 0.000 0.806 188 E CB -0.015 29.698 29.700 0.022 0.000 0.750 188 E HN 0.521 nan 8.360 nan 0.000 0.458 189 W N 2.982 124.212 121.300 -0.118 0.000 2.446 189 W HA 0.065 4.717 4.660 -0.013 0.000 0.316 189 W C -0.554 175.905 176.519 -0.101 0.000 1.376 189 W CA -0.099 57.175 57.345 -0.119 0.000 1.300 189 W CB 0.442 29.764 29.460 -0.229 0.000 1.351 189 W HN -0.164 nan 8.180 nan 0.000 0.530 190 K N 4.326 124.527 120.400 -0.333 0.000 2.118 190 K HA 0.497 4.811 4.320 -0.011 0.000 0.254 190 K C 0.526 176.988 176.600 -0.229 0.000 0.961 190 K CA -0.562 55.606 56.287 -0.197 0.000 0.876 190 K CB 1.318 33.715 32.500 -0.171 0.000 1.077 190 K HN 0.583 nan 8.250 nan 0.000 0.440 191 G N -0.215 108.528 108.800 -0.096 0.000 2.588 191 G HA2 -0.007 3.946 3.960 -0.011 0.000 0.281 191 G HA3 -0.007 3.946 3.960 -0.011 0.000 0.281 191 G C 0.717 175.669 174.900 0.085 0.000 1.236 191 G CA -0.025 44.983 45.100 -0.153 0.000 0.969 191 G HN 0.732 nan 8.290 nan 0.000 0.504 192 H N -0.793 118.458 119.070 0.301 0.000 2.457 192 H HA -0.117 4.433 4.556 -0.010 0.000 0.297 192 H C 2.516 177.933 175.328 0.148 0.000 1.092 192 H CA 2.129 58.325 56.048 0.247 0.000 1.309 192 H CB 0.062 30.034 29.762 0.350 0.000 1.382 192 H HN 0.443 nan 8.280 nan 0.000 0.535 193 T N -3.836 110.808 114.554 0.151 0.000 3.186 193 T HA 0.314 4.657 4.350 -0.011 0.000 0.257 193 T C 1.431 176.143 174.700 0.021 0.000 1.029 193 T CA 0.266 62.392 62.100 0.043 0.000 0.916 193 T CB -0.194 68.740 68.868 0.110 0.000 1.041 193 T HN 0.485 nan 8.240 nan 0.000 0.562 194 G N 1.568 110.372 108.800 0.007 0.000 2.136 194 G HA2 -0.233 3.721 3.960 -0.011 0.000 0.242 194 G HA3 -0.233 3.721 3.960 -0.011 0.000 0.242 194 G C -0.090 174.808 174.900 -0.003 0.000 0.989 194 G CA -0.121 44.968 45.100 -0.018 0.000 0.682 194 G HN 0.636 nan 8.290 nan 0.000 0.522 195 K N 0.402 120.818 120.400 0.027 0.000 2.118 195 K HA 0.681 4.994 4.320 -0.011 0.000 0.267 195 K C 0.739 177.348 176.600 0.014 0.000 0.991 195 K CA 0.021 56.324 56.287 0.027 0.000 0.916 195 K CB 1.595 34.128 32.500 0.055 0.000 1.041 195 K HN 0.453 nan 8.250 nan 0.000 0.455 196 A N 2.942 125.763 122.820 0.002 0.000 2.386 196 A HA 0.221 4.534 4.320 -0.011 0.000 0.248 196 A C 0.242 177.823 177.584 -0.005 0.000 1.082 196 A CA -0.521 51.514 52.037 -0.003 0.000 0.789 196 A CB 0.111 19.100 19.000 -0.019 0.000 1.025 196 A HN 0.557 nan 8.150 nan 0.000 0.490 197 I N 2.082 122.650 120.570 -0.004 0.000 2.533 197 I HA 0.122 4.285 4.170 -0.011 0.000 0.284 197 I C 1.158 177.211 176.117 -0.107 0.000 1.109 197 I CA 0.510 61.788 61.300 -0.037 0.000 1.412 197 I CB 0.349 38.321 38.000 -0.047 0.000 1.396 197 I HN 0.768 nan 8.210 nan 0.000 0.543 198 R N 4.239 124.640 120.500 -0.165 0.000 2.342 198 R HA 0.175 4.508 4.340 -0.011 0.000 0.204 198 R C -0.058 175.934 176.300 -0.513 0.000 0.882 198 R CA 0.255 56.151 56.100 -0.339 0.000 1.041 198 R CB 0.524 30.574 30.300 -0.417 0.000 1.188 198 R HN 0.581 nan 8.270 nan 0.000 0.598 199 H N 0.274 119.292 119.070 -0.086 0.000 2.547 199 H HA 0.373 4.923 4.556 -0.011 0.000 0.342 199 H C -0.752 174.471 175.328 -0.176 0.000 1.048 199 H CA -0.641 55.358 56.048 -0.082 0.000 1.204 199 H CB 2.632 32.309 29.762 -0.143 0.000 1.493 199 H HN -0.264 nan 8.280 nan 0.000 0.511 200 V N 4.357 124.243 119.914 -0.046 0.000 2.326 200 V HA 0.148 4.261 4.120 -0.011 0.000 0.281 200 V C 0.069 176.036 176.094 -0.212 0.000 1.015 200 V CA -0.732 61.463 62.300 -0.175 0.000 0.823 200 V CB 1.562 33.275 31.823 -0.183 0.000 1.009 200 V HN 0.450 nan 8.190 nan 0.000 0.436 201 V N 4.562 124.298 119.914 -0.296 0.000 2.311 201 V HA 0.328 4.441 4.120 -0.011 0.000 0.275 201 V C 0.186 176.191 176.094 -0.149 0.000 1.022 201 V CA -0.616 61.533 62.300 -0.252 0.000 0.830 201 V CB 1.307 32.944 31.823 -0.310 0.000 1.012 201 V HN 0.891 nan 8.190 nan 0.000 0.452 202 N N 4.658 123.252 118.700 -0.176 0.000 2.444 202 N HA 0.452 5.186 4.740 -0.011 0.000 0.271 202 N C -0.763 174.777 175.510 0.050 0.000 1.069 202 N CA -0.217 52.826 53.050 -0.012 0.000 0.965 202 N CB 0.710 39.284 38.487 0.145 0.000 1.092 202 N HN 0.631 nan 8.380 nan 0.000 0.476 203 I N 2.932 123.534 120.570 0.053 0.000 2.390 203 I HA 0.582 4.745 4.170 -0.011 0.000 0.283 203 I C 0.519 176.636 176.117 -0.001 0.000 1.016 203 I CA -0.516 60.803 61.300 0.032 0.000 1.151 203 I CB 1.252 39.276 38.000 0.039 0.000 1.293 203 I HN 0.603 nan 8.210 nan 0.000 0.458 204 G N 5.966 114.769 108.800 0.005 0.000 2.489 204 G HA2 0.567 4.521 3.960 -0.011 0.000 0.291 204 G HA3 0.567 4.521 3.960 -0.011 0.000 0.291 204 G C -2.098 172.799 174.900 -0.004 0.000 1.487 204 G CA -0.477 44.613 45.100 -0.016 0.000 0.795 204 G HN 0.446 nan 8.290 nan 0.000 0.513 205 I N 0.154 120.711 120.570 -0.021 0.000 2.828 205 I HA 0.642 4.805 4.170 -0.011 0.000 0.302 205 I C 1.162 177.256 176.117 -0.040 0.000 1.101 205 I CA 0.798 62.087 61.300 -0.018 0.000 1.031 205 I CB 2.005 39.998 38.000 -0.012 0.000 1.231 205 I HN 1.771 nan 8.210 nan 0.000 0.427 206 G N 4.160 112.927 108.800 -0.055 0.000 2.677 206 G HA2 -0.373 3.581 3.960 -0.011 0.000 0.321 206 G HA3 -0.373 3.581 3.960 -0.011 0.000 0.321 206 G C 0.981 175.814 174.900 -0.112 0.000 1.181 206 G CA 0.572 45.619 45.100 -0.089 0.000 0.965 206 G HN 1.237 nan 8.290 nan 0.000 0.548 207 G N -0.486 108.251 108.800 -0.104 0.000 2.498 207 G HA2 0.182 4.135 3.960 -0.011 0.000 0.219 207 G HA3 0.182 4.135 3.960 -0.011 0.000 0.219 207 G C 1.611 176.456 174.900 -0.092 0.000 1.119 207 G CA 1.891 46.925 45.100 -0.111 0.000 0.766 207 G HN 1.154 nan 8.290 nan 0.000 0.552 208 S N -0.708 114.954 115.700 -0.064 0.000 2.572 208 S HA 0.217 4.681 4.470 -0.011 0.000 0.228 208 S C 0.857 175.428 174.600 -0.049 0.000 0.963 208 S CA 0.378 58.547 58.200 -0.053 0.000 0.939 208 S CB 0.384 63.579 63.200 -0.008 0.000 0.804 208 S HN 0.578 nan 8.310 nan 0.000 0.480 209 D N 0.364 120.716 120.400 -0.080 0.000 2.829 209 D HA 0.188 4.821 4.640 -0.011 0.000 0.250 209 D C 1.542 177.714 176.300 -0.214 0.000 1.304 209 D CA -0.105 53.828 54.000 -0.111 0.000 1.197 209 D CB -0.375 40.388 40.800 -0.061 0.000 1.501 209 D HN 0.126 nan 8.370 nan 0.000 0.424 210 L N 0.793 121.923 121.223 -0.155 0.000 2.042 210 L HA 0.025 4.358 4.340 -0.011 0.000 0.210 210 L C 2.484 179.341 176.870 -0.021 0.000 1.076 210 L CA 1.729 56.497 54.840 -0.120 0.000 0.749 210 L CB -0.829 41.164 42.059 -0.111 0.000 0.893 210 L HN 0.254 nan 8.230 nan 0.000 0.432 211 G N 0.342 109.168 108.800 0.044 0.000 2.453 211 G HA2 -0.180 3.773 3.960 -0.011 0.000 0.215 211 G HA3 -0.180 3.773 3.960 -0.011 0.000 0.215 211 G C -0.672 174.049 174.900 -0.298 0.000 1.201 211 G CA 0.668 45.718 45.100 -0.083 0.000 0.784 211 G HN 0.291 nan 8.290 nan 0.000 0.545 212 P HA -0.071 nan 4.420 nan 0.000 0.215 212 P C 2.222 179.184 177.300 -0.563 0.000 1.157 212 P CA 1.048 63.986 63.100 -0.270 0.000 0.874 212 P CB -0.107 31.515 31.700 -0.131 0.000 0.790 213 V N -0.381 118.982 119.914 -0.918 0.000 2.237 213 V HA -0.260 3.854 4.120 -0.011 0.000 0.245 213 V C 2.456 178.219 176.094 -0.552 0.000 1.046 213 V CA 1.915 63.584 62.300 -1.051 0.000 1.007 213 V CB -1.141 30.176 31.823 -0.843 0.000 0.638 213 V HN 0.165 nan 8.190 nan 0.000 0.445 214 M N 0.531 119.849 119.600 -0.471 0.000 2.073 214 M HA -0.207 4.266 4.480 -0.011 0.000 0.258 214 M C 2.171 178.258 176.300 -0.355 0.000 1.070 214 M CA 2.831 57.874 55.300 -0.428 0.000 1.103 214 M CB -0.885 31.445 32.600 -0.450 0.000 1.321 214 M HN 0.340 nan 8.290 nan 0.000 0.405 215 A N -0.001 122.600 122.820 -0.365 0.000 1.898 215 A HA -0.158 4.155 4.320 -0.011 0.000 0.216 215 A C 2.157 179.651 177.584 -0.149 0.000 1.181 215 A CA 2.702 54.572 52.037 -0.277 0.000 0.620 215 A CB -1.419 17.396 19.000 -0.308 0.000 0.819 215 A HN 0.725 nan 8.150 nan 0.000 0.442 216 T N -2.310 112.184 114.554 -0.101 0.000 2.833 216 T HA -0.120 4.223 4.350 -0.011 0.000 0.269 216 T C 1.575 176.288 174.700 0.022 0.000 1.054 216 T CA 1.427 63.534 62.100 0.011 0.000 1.135 216 T CB -0.259 68.703 68.868 0.157 0.000 0.869 216 T HN 0.407 nan 8.240 nan 0.000 0.466 217 E N 1.687 121.885 120.200 -0.003 0.000 2.072 217 E HA 0.101 4.444 4.350 -0.011 0.000 0.190 217 E C 2.650 179.321 176.600 0.118 0.000 0.982 217 E CA 1.237 57.704 56.400 0.112 0.000 0.803 217 E CB -0.687 29.037 29.700 0.041 0.000 0.755 217 E HN 0.676 nan 8.360 nan 0.000 0.453 218 A N 0.869 123.693 122.820 0.006 0.000 1.930 218 A HA -0.077 4.236 4.320 -0.011 0.000 0.217 218 A C 1.916 179.475 177.584 -0.043 0.000 1.175 218 A CA 0.897 52.952 52.037 0.030 0.000 0.627 218 A CB -0.308 18.661 19.000 -0.053 0.000 0.815 218 A HN 0.180 nan 8.150 nan 0.000 0.443 219 L N -1.006 120.180 121.223 -0.061 0.000 2.984 219 L HA 0.218 4.551 4.340 -0.011 0.000 0.246 219 L C 1.518 178.389 176.870 0.002 0.000 1.268 219 L CA -0.148 54.712 54.840 0.033 0.000 1.054 219 L CB 0.053 42.113 42.059 0.002 0.000 1.393 219 L HN 0.311 nan 8.230 nan 0.000 0.532 220 K N 1.458 121.705 120.400 -0.255 0.000 2.152 220 K HA -0.125 4.188 4.320 -0.011 0.000 0.206 220 K C -0.689 175.731 176.600 -0.301 0.000 1.048 220 K CA 1.357 57.494 56.287 -0.250 0.000 0.933 220 K CB -0.234 32.145 32.500 -0.202 0.000 0.721 220 K HN 0.237 nan 8.250 nan 0.000 0.447 221 P HA -0.067 nan 4.420 nan 0.000 0.229 221 P C 0.099 177.024 177.300 -0.624 0.000 1.160 221 P CA 0.918 63.679 63.100 -0.566 0.000 0.777 221 P CB 0.158 31.388 31.700 -0.784 0.000 0.814 222 F N -1.027 118.835 119.950 -0.146 0.000 2.693 222 F HA 0.139 4.659 4.527 -0.012 0.000 0.303 222 F C 1.382 177.140 175.800 -0.070 0.000 1.097 222 F CA -0.258 57.688 58.000 -0.090 0.000 1.330 222 F CB -0.506 38.444 39.000 -0.084 0.000 1.067 222 F HN -0.168 nan 8.300 nan 0.000 0.565 223 S N -0.267 115.444 115.700 0.018 0.000 2.632 223 S HA 0.240 4.703 4.470 -0.011 0.000 0.271 223 S C -0.221 174.364 174.600 -0.023 0.000 1.260 223 S CA -0.796 57.407 58.200 0.005 0.000 1.010 223 S CB 1.421 64.612 63.200 -0.014 0.000 0.965 223 S HN 0.310 nan 8.310 nan 0.000 0.534 224 Q N 0.986 120.772 119.800 -0.024 0.000 2.361 224 Q HA 0.220 4.554 4.340 -0.011 0.000 0.250 224 Q C 0.779 176.748 176.000 -0.052 0.000 1.023 224 Q CA -0.840 54.940 55.803 -0.038 0.000 0.915 224 Q CB 0.470 29.184 28.738 -0.040 0.000 1.238 224 Q HN 0.604 nan 8.270 nan 0.000 0.451 225 R N 2.229 122.696 120.500 -0.054 0.000 2.200 225 R HA -0.139 4.195 4.340 -0.011 0.000 0.234 225 R C 0.661 176.922 176.300 -0.067 0.000 1.127 225 R CA 1.307 57.373 56.100 -0.057 0.000 0.989 225 R CB -0.193 30.076 30.300 -0.052 0.000 0.869 225 R HN 0.720 nan 8.270 nan 0.000 0.459 226 D N -0.439 119.918 120.400 -0.072 0.000 2.336 226 D HA -0.040 4.593 4.640 -0.011 0.000 0.229 226 D C 0.270 176.495 176.300 -0.126 0.000 1.061 226 D CA 0.173 54.120 54.000 -0.089 0.000 0.875 226 D CB -0.150 40.604 40.800 -0.077 0.000 0.904 226 D HN 0.092 nan 8.370 nan 0.000 0.525 227 L N 0.902 122.053 121.223 -0.119 0.000 2.301 227 L HA 0.311 4.645 4.340 -0.011 0.000 0.278 227 L C -0.304 176.481 176.870 -0.142 0.000 1.022 227 L CA -0.662 54.092 54.840 -0.143 0.000 0.854 227 L CB 1.577 43.563 42.059 -0.122 0.000 1.226 227 L HN -0.162 nan 8.230 nan 0.000 0.429 228 S N 4.512 120.114 115.700 -0.163 0.000 2.481 228 S HA 0.384 4.847 4.470 -0.011 0.000 0.276 228 S C 0.032 174.498 174.600 -0.224 0.000 1.247 228 S CA -0.471 57.640 58.200 -0.148 0.000 1.053 228 S CB 0.532 63.754 63.200 0.037 0.000 0.925 228 S HN 0.321 nan 8.310 nan 0.000 0.491 229 L N 5.535 126.550 121.223 -0.346 0.000 2.276 229 L HA 0.410 4.744 4.340 -0.011 0.000 0.286 229 L C 0.216 176.628 176.870 -0.763 0.000 1.061 229 L CA -0.118 54.437 54.840 -0.475 0.000 0.807 229 L CB 0.500 42.363 42.059 -0.327 0.000 1.177 229 L HN 0.649 nan 8.230 nan 0.000 0.429 230 H N 4.000 122.684 119.070 -0.645 0.000 2.637 230 H HA 0.419 4.969 4.556 -0.010 0.000 0.363 230 H C -1.299 173.544 175.328 -0.808 0.000 1.131 230 H CA -0.462 55.280 56.048 -0.510 0.000 1.183 230 H CB 2.265 31.860 29.762 -0.277 0.000 1.637 230 H HN 0.300 nan 8.280 nan 0.000 0.531 231 F N 1.402 121.358 119.950 0.011 0.000 2.500 231 F HA 0.217 4.737 4.527 -0.012 0.000 0.349 231 F C -0.030 175.589 175.800 -0.301 0.000 1.127 231 F CA -0.731 57.218 58.000 -0.085 0.000 0.998 231 F CB 1.433 40.402 39.000 -0.052 0.000 1.237 231 F HN 0.133 nan 8.300 nan 0.000 0.439 232 V N 3.209 123.032 119.914 -0.151 0.000 2.364 232 V HA 0.348 4.462 4.120 -0.011 0.000 0.272 232 V C 0.368 176.374 176.094 -0.146 0.000 1.036 232 V CA 0.209 62.297 62.300 -0.354 0.000 0.880 232 V CB 1.065 32.817 31.823 -0.119 0.000 0.991 232 V HN 0.932 nan 8.190 nan 0.000 0.460 233 S N 3.020 118.672 115.700 -0.080 0.000 3.171 233 S HA 0.154 4.618 4.470 -0.011 0.000 0.258 233 S C 0.725 175.436 174.600 0.186 0.000 1.083 233 S CA -0.252 58.017 58.200 0.115 0.000 0.801 233 S CB -0.097 63.191 63.200 0.146 0.000 0.831 233 S HN 0.544 nan 8.310 nan 0.000 0.462 234 N N 1.937 120.876 118.700 0.397 0.000 2.492 234 N HA 0.138 4.871 4.740 -0.011 0.000 0.260 234 N C 0.699 176.299 175.510 0.149 0.000 1.215 234 N CA 0.236 53.405 53.050 0.199 0.000 0.923 234 N CB 1.545 40.083 38.487 0.085 0.000 1.092 234 N HN 0.164 nan 8.380 nan 0.000 0.448 235 V N 1.995 121.953 119.914 0.072 0.000 3.380 235 V HA -0.063 4.050 4.120 -0.011 0.000 0.268 235 V C 0.340 176.468 176.094 0.058 0.000 1.168 235 V CA 0.451 62.784 62.300 0.054 0.000 1.156 235 V CB -0.764 31.074 31.823 0.025 0.000 0.785 235 V HN 0.646 nan 8.190 nan 0.000 0.487 236 D N 0.553 120.986 120.400 0.055 0.000 2.472 236 D HA 0.078 4.711 4.640 -0.011 0.000 0.248 236 D C 1.504 177.848 176.300 0.073 0.000 1.174 236 D CA 0.909 54.935 54.000 0.044 0.000 0.883 236 D CB 1.414 42.219 40.800 0.009 0.000 1.149 236 D HN 0.281 nan 8.370 nan 0.000 0.488 237 G N 3.298 112.137 108.800 0.065 0.000 2.517 237 G HA2 -0.315 3.638 3.960 -0.011 0.000 0.222 237 G HA3 -0.315 3.638 3.960 -0.011 0.000 0.222 237 G C 1.465 176.414 174.900 0.082 0.000 1.109 237 G CA 1.260 46.403 45.100 0.071 0.000 0.746 237 G HN 0.585 nan 8.290 nan 0.000 0.576 238 T N -0.464 114.134 114.554 0.074 0.000 2.720 238 T HA -0.146 4.197 4.350 -0.011 0.000 0.268 238 T C 1.903 176.686 174.700 0.138 0.000 1.037 238 T CA 1.441 63.586 62.100 0.075 0.000 1.144 238 T CB -0.402 68.487 68.868 0.035 0.000 0.864 238 T HN 0.589 nan 8.240 nan 0.000 0.444 239 H N -0.175 118.924 119.070 0.048 0.000 2.290 239 H HA -0.006 4.543 4.556 -0.012 0.000 0.298 239 H C 2.395 177.759 175.328 0.060 0.000 1.087 239 H CA 1.351 57.435 56.048 0.060 0.000 1.291 239 H CB -0.097 29.703 29.762 0.063 0.000 1.369 239 H HN 0.250 nan 8.280 nan 0.000 0.492 240 I N 0.146 120.815 120.570 0.166 0.000 2.353 240 I HA -0.184 3.979 4.170 -0.011 0.000 0.248 240 I C 2.481 178.642 176.117 0.073 0.000 1.119 240 I CA 1.025 62.377 61.300 0.087 0.000 1.417 240 I CB -0.194 37.848 38.000 0.069 0.000 1.078 240 I HN 0.301 nan 8.210 nan 0.000 0.421 241 A N 0.493 123.361 122.820 0.079 0.000 1.883 241 A HA -0.221 4.092 4.320 -0.011 0.000 0.217 241 A C 2.165 179.779 177.584 0.051 0.000 1.186 241 A CA 1.744 53.816 52.037 0.059 0.000 0.624 241 A CB -0.615 18.419 19.000 0.058 0.000 0.822 241 A HN 0.468 nan 8.150 nan 0.000 0.444 242 E N -0.269 119.975 120.200 0.074 0.000 2.150 242 E HA -0.083 4.260 4.350 -0.011 0.000 0.193 242 E C 2.142 178.767 176.600 0.042 0.000 0.985 242 E CA 1.118 57.560 56.400 0.069 0.000 0.814 242 E CB -0.377 29.388 29.700 0.108 0.000 0.752 242 E HN 0.414 nan 8.360 nan 0.000 0.466 243 V N 1.240 121.171 119.914 0.029 0.000 2.407 243 V HA -0.164 3.949 4.120 -0.011 0.000 0.245 243 V C 2.431 178.434 176.094 -0.152 0.000 1.041 243 V CA 0.946 63.201 62.300 -0.074 0.000 1.040 243 V CB -0.361 31.421 31.823 -0.070 0.000 0.671 243 V HN 0.199 nan 8.190 nan 0.000 0.455 244 L N -0.422 120.768 121.223 -0.055 0.000 2.191 244 L HA -0.165 4.168 4.340 -0.011 0.000 0.212 244 L C 2.449 179.277 176.870 -0.071 0.000 1.103 244 L CA 1.507 56.319 54.840 -0.047 0.000 0.769 244 L CB -0.504 41.563 42.059 0.014 0.000 0.908 244 L HN 0.300 nan 8.230 nan 0.000 0.438 245 K N -0.847 119.524 120.400 -0.048 0.000 2.296 245 K HA 0.016 4.330 4.320 -0.011 0.000 0.200 245 K C 1.893 178.454 176.600 -0.065 0.000 1.048 245 K CA 0.768 57.034 56.287 -0.035 0.000 0.966 245 K CB 0.204 32.703 32.500 -0.001 0.000 0.754 245 K HN 0.157 nan 8.250 nan 0.000 0.466 246 S N 0.832 116.465 115.700 -0.113 0.000 2.517 246 S HA 0.141 4.604 4.470 -0.011 0.000 0.214 246 S C 0.799 175.196 174.600 -0.339 0.000 0.991 246 S CA -0.255 57.869 58.200 -0.126 0.000 0.906 246 S CB -0.013 63.181 63.200 -0.012 0.000 0.789 246 S HN 0.278 nan 8.310 nan 0.000 0.513 247 I N -1.024 119.248 120.570 -0.497 0.000 2.982 247 I HA 0.652 4.815 4.170 -0.011 0.000 0.312 247 I C -1.000 174.841 176.117 -0.460 0.000 1.041 247 I CA -1.007 59.786 61.300 -0.846 0.000 1.053 247 I CB 1.220 38.716 38.000 -0.840 0.000 1.248 247 I HN -0.252 nan 8.210 nan 0.000 0.471 248 D N 3.224 123.411 120.400 -0.355 0.000 2.472 248 D HA 0.281 4.914 4.640 -0.011 0.000 0.234 248 D C 0.674 176.887 176.300 -0.145 0.000 1.088 248 D CA -0.382 53.541 54.000 -0.128 0.000 0.882 248 D CB 1.050 41.889 40.800 0.066 0.000 1.037 248 D HN 0.738 nan 8.370 nan 0.000 0.520 249 I N 2.764 123.157 120.570 -0.294 0.000 2.315 249 I HA -0.274 3.889 4.170 -0.011 0.000 0.251 249 I C 1.707 177.751 176.117 -0.122 0.000 1.125 249 I CA 1.336 62.493 61.300 -0.239 0.000 1.392 249 I CB 0.323 38.136 38.000 -0.311 0.000 1.065 249 I HN 0.465 nan 8.210 nan 0.000 0.424 250 E N 0.229 120.359 120.200 -0.117 0.000 2.204 250 E HA -0.120 4.223 4.350 -0.011 0.000 0.194 250 E C 1.375 178.127 176.600 0.254 0.000 0.989 250 E CA 0.987 57.461 56.400 0.123 0.000 0.824 250 E CB -0.066 29.696 29.700 0.104 0.000 0.756 250 E HN 0.545 nan 8.360 nan 0.000 0.477 251 A N 1.099 124.003 122.820 0.140 0.000 2.713 251 A HA 0.187 4.501 4.320 -0.011 0.000 0.296 251 A C -0.087 177.547 177.584 0.083 0.000 1.255 251 A CA -0.252 51.851 52.037 0.110 0.000 0.955 251 A CB 0.375 19.412 19.000 0.062 0.000 1.149 251 A HN -0.068 nan 8.150 nan 0.000 0.538 252 T N 0.558 115.168 114.554 0.094 0.000 2.807 252 T HA 0.526 4.869 4.350 -0.011 0.000 0.279 252 T C -0.938 173.680 174.700 -0.137 0.000 0.993 252 T CA -0.310 61.709 62.100 -0.136 0.000 0.970 252 T CB 1.571 70.155 68.868 -0.475 0.000 0.950 252 T HN 0.259 nan 8.240 nan 0.000 0.441 253 L N 3.842 124.895 121.223 -0.283 0.000 2.296 253 L HA 0.681 5.014 4.340 -0.011 0.000 0.286 253 L C -1.600 175.006 176.870 -0.440 0.000 1.023 253 L CA -0.512 54.203 54.840 -0.209 0.000 0.812 253 L CB 0.247 42.226 42.059 -0.133 0.000 1.223 253 L HN 0.511 nan 8.230 nan 0.000 0.421 254 F N 5.934 125.694 119.950 -0.317 0.000 2.415 254 F HA 0.509 5.032 4.527 -0.006 0.000 0.348 254 F C 0.118 175.754 175.800 -0.275 0.000 1.119 254 F CA -0.387 57.348 58.000 -0.442 0.000 1.069 254 F CB 1.150 39.542 39.000 -1.013 0.000 1.124 254 F HN 0.257 nan 8.300 nan 0.000 0.472 255 I N 4.667 125.245 120.570 0.015 0.000 2.328 255 I HA 0.265 4.428 4.170 -0.011 0.000 0.287 255 I C -0.821 175.342 176.117 0.077 0.000 1.012 255 I CA -0.805 60.510 61.300 0.026 0.000 1.195 255 I CB 1.201 39.174 38.000 -0.045 0.000 1.350 255 I HN 0.194 nan 8.210 nan 0.000 0.464 256 V N 6.259 126.259 119.914 0.144 0.000 2.339 256 V HA 0.423 4.536 4.120 -0.011 0.000 0.261 256 V C 0.652 176.830 176.094 0.140 0.000 1.058 256 V CA -0.426 61.932 62.300 0.096 0.000 0.897 256 V CB 0.815 32.675 31.823 0.063 0.000 1.052 256 V HN 0.799 nan 8.190 nan 0.000 0.480 257 A N 4.132 126.985 122.820 0.056 0.000 2.249 257 A HA 0.798 5.112 4.320 -0.011 0.000 0.314 257 A C 0.061 177.681 177.584 0.060 0.000 1.290 257 A CA -0.329 51.765 52.037 0.094 0.000 0.893 257 A CB 1.075 20.101 19.000 0.043 0.000 1.165 257 A HN 0.835 nan 8.150 nan 0.000 0.530 258 S N 2.108 117.916 115.700 0.181 0.000 2.590 258 S HA 0.248 4.711 4.470 -0.011 0.000 0.286 258 S C 0.530 175.278 174.600 0.247 0.000 1.147 258 S CA -0.502 57.771 58.200 0.123 0.000 0.963 258 S CB 1.015 64.128 63.200 -0.145 0.000 1.124 258 S HN 0.785 nan 8.310 nan 0.000 0.458 259 K N 1.962 122.512 120.400 0.250 0.000 1.987 259 K HA -0.141 4.172 4.320 -0.011 0.000 0.216 259 K C 1.894 178.448 176.600 -0.076 0.000 1.051 259 K CA 2.609 58.941 56.287 0.075 0.000 0.942 259 K CB -0.494 32.109 32.500 0.171 0.000 0.722 259 K HN 0.807 nan 8.250 nan 0.000 0.444 260 T N -2.777 111.780 114.554 0.006 0.000 3.043 260 T HA -0.057 4.287 4.350 -0.011 0.000 0.263 260 T C 0.904 175.672 174.700 0.113 0.000 1.094 260 T CA 0.551 62.658 62.100 0.012 0.000 1.127 260 T CB -0.246 68.628 68.868 0.009 0.000 0.905 260 T HN 0.369 nan 8.240 nan 0.000 0.490 261 F N 2.053 121.956 119.950 -0.077 0.000 3.057 261 F HA -0.285 4.234 4.527 -0.013 0.000 0.287 261 F C 1.050 176.814 175.800 -0.059 0.000 0.834 261 F CA 1.095 59.046 58.000 -0.081 0.000 1.147 261 F CB -1.728 37.212 39.000 -0.098 0.000 1.245 261 F HN 0.520 nan 8.300 nan 0.000 0.509 262 T N -4.953 109.601 114.554 0.000 0.000 3.058 262 T HA 0.193 4.536 4.350 -0.011 0.000 0.278 262 T C 0.583 175.255 174.700 -0.047 0.000 0.974 262 T CA 0.542 62.637 62.100 -0.007 0.000 0.893 262 T CB 0.078 68.964 68.868 0.029 0.000 1.138 262 T HN 0.132 nan 8.240 nan 0.000 0.529 263 T N 3.407 117.912 114.554 -0.081 0.000 2.758 263 T HA 0.058 4.401 4.350 -0.011 0.000 0.281 263 T C 1.319 175.970 174.700 -0.083 0.000 0.963 263 T CA 0.097 62.153 62.100 -0.072 0.000 1.201 263 T CB 1.160 69.981 68.868 -0.079 0.000 0.906 263 T HN 0.442 nan 8.240 nan 0.000 0.528 264 Q N 2.827 122.599 119.800 -0.047 0.000 2.133 264 Q HA -0.270 4.063 4.340 -0.011 0.000 0.208 264 Q C 1.759 177.734 176.000 -0.040 0.000 0.991 264 Q CA 2.128 57.910 55.803 -0.035 0.000 0.867 264 Q CB 0.042 28.771 28.738 -0.015 0.000 0.911 264 Q HN 0.749 nan 8.270 nan 0.000 0.417 265 E N -0.649 119.528 120.200 -0.039 0.000 2.031 265 E HA -0.155 4.188 4.350 -0.011 0.000 0.193 265 E C 2.055 178.626 176.600 -0.049 0.000 0.994 265 E CA 1.995 58.379 56.400 -0.027 0.000 0.800 265 E CB -0.226 29.466 29.700 -0.014 0.000 0.752 265 E HN 0.360 nan 8.360 nan 0.000 0.447 266 T N 1.150 115.647 114.554 -0.095 0.000 2.746 266 T HA -0.099 4.244 4.350 -0.011 0.000 0.267 266 T C 1.753 176.321 174.700 -0.221 0.000 1.039 266 T CA 0.927 62.932 62.100 -0.158 0.000 1.142 266 T CB -0.100 68.639 68.868 -0.216 0.000 0.866 266 T HN 0.046 nan 8.240 nan 0.000 0.444 267 I N 1.748 122.179 120.570 -0.231 0.000 2.252 267 I HA -0.098 4.065 4.170 -0.011 0.000 0.245 267 I C 2.594 178.677 176.117 -0.057 0.000 1.102 267 I CA 1.367 62.540 61.300 -0.212 0.000 1.385 267 I CB -1.864 36.044 38.000 -0.153 0.000 1.064 267 I HN 0.262 nan 8.210 nan 0.000 0.414 268 T N 1.518 116.053 114.554 -0.032 0.000 2.746 268 T HA -0.119 4.224 4.350 -0.011 0.000 0.267 268 T C 1.772 176.484 174.700 0.020 0.000 1.039 268 T CA 1.323 63.429 62.100 0.010 0.000 1.142 268 T CB -0.235 68.639 68.868 0.011 0.000 0.866 268 T HN 0.269 nan 8.240 nan 0.000 0.444 269 N N 1.366 120.067 118.700 0.002 0.000 2.188 269 N HA 0.017 4.751 4.740 -0.011 0.000 0.184 269 N C 2.126 177.654 175.510 0.030 0.000 1.018 269 N CA 1.270 54.330 53.050 0.017 0.000 0.858 269 N CB -0.499 37.993 38.487 0.009 0.000 0.989 269 N HN 0.426 nan 8.380 nan 0.000 0.426 270 A N 1.182 124.008 122.820 0.011 0.000 1.898 270 A HA -0.016 4.297 4.320 -0.011 0.000 0.216 270 A C 2.386 180.151 177.584 0.302 0.000 1.181 270 A CA 0.796 52.891 52.037 0.098 0.000 0.620 270 A CB -0.664 18.187 19.000 -0.248 0.000 0.819 270 A HN 0.195 nan 8.150 nan 0.000 0.442 271 L N -0.459 120.913 121.223 0.249 0.000 2.093 271 L HA -0.141 4.193 4.340 -0.011 0.000 0.208 271 L C 2.741 179.635 176.870 0.040 0.000 1.085 271 L CA 1.425 56.367 54.840 0.171 0.000 0.755 271 L CB -0.320 41.813 42.059 0.123 0.000 0.904 271 L HN 0.318 nan 8.230 nan 0.000 0.435 272 S N -0.303 115.420 115.700 0.039 0.000 2.406 272 S HA -0.043 4.420 4.470 -0.011 0.000 0.228 272 S C 2.143 176.729 174.600 -0.024 0.000 1.020 272 S CA 0.946 59.151 58.200 0.009 0.000 0.965 272 S CB -0.075 63.138 63.200 0.022 0.000 0.798 272 S HN 0.473 nan 8.310 nan 0.000 0.488 273 A N 1.712 124.507 122.820 -0.042 0.000 1.929 273 A HA -0.018 4.295 4.320 -0.011 0.000 0.216 273 A C 2.066 179.560 177.584 -0.151 0.000 1.176 273 A CA 1.111 53.009 52.037 -0.232 0.000 0.628 273 A CB -0.396 18.353 19.000 -0.418 0.000 0.816 273 A HN 0.385 nan 8.150 nan 0.000 0.444 274 R N -0.711 119.763 120.500 -0.043 0.000 2.073 274 R HA -0.044 4.289 4.340 -0.011 0.000 0.229 274 R C 2.454 178.657 176.300 -0.161 0.000 1.120 274 R CA 1.200 57.142 56.100 -0.262 0.000 0.967 274 R CB -0.257 29.710 30.300 -0.555 0.000 0.862 274 R HN 0.491 nan 8.270 nan 0.000 0.436 275 R N -0.006 120.428 120.500 -0.109 0.000 2.096 275 R HA -0.109 4.224 4.340 -0.011 0.000 0.235 275 R C 2.041 178.325 176.300 -0.027 0.000 1.127 275 R CA 1.487 57.546 56.100 -0.068 0.000 0.968 275 R CB -0.213 30.061 30.300 -0.043 0.000 0.861 275 R HN 0.272 nan 8.270 nan 0.000 0.440 276 A N 0.945 123.754 122.820 -0.019 0.000 1.933 276 A HA -0.167 4.146 4.320 -0.011 0.000 0.218 276 A C 2.013 179.636 177.584 0.066 0.000 1.175 276 A CA 1.081 53.132 52.037 0.024 0.000 0.628 276 A CB -0.492 18.516 19.000 0.013 0.000 0.814 276 A HN 0.355 nan 8.150 nan 0.000 0.444 277 L N -0.013 121.236 121.223 0.042 0.000 1.994 277 L HA -0.104 4.229 4.340 -0.011 0.000 0.208 277 L C 2.293 179.214 176.870 0.085 0.000 1.071 277 L CA 1.781 56.669 54.840 0.080 0.000 0.745 277 L CB -0.453 41.682 42.059 0.128 0.000 0.892 277 L HN 0.411 nan 8.230 nan 0.000 0.431 278 L N -0.829 120.411 121.223 0.028 0.000 2.093 278 L HA -0.174 4.159 4.340 -0.011 0.000 0.208 278 L C 2.186 179.078 176.870 0.037 0.000 1.085 278 L CA 1.128 55.975 54.840 0.012 0.000 0.755 278 L CB -0.994 41.039 42.059 -0.044 0.000 0.904 278 L HN 0.273 nan 8.230 nan 0.000 0.435 279 D N -0.638 119.790 120.400 0.047 0.000 2.144 279 D HA -0.207 4.426 4.640 -0.011 0.000 0.200 279 D C 1.940 178.286 176.300 0.075 0.000 0.978 279 D CA 1.172 55.201 54.000 0.048 0.000 0.833 279 D CB -0.140 40.690 40.800 0.050 0.000 0.961 279 D HN 0.283 nan 8.370 nan 0.000 0.470 280 Y N 1.214 121.521 120.300 0.010 0.000 2.163 280 Y HA -0.106 4.436 4.550 -0.013 0.000 0.288 280 Y C 2.156 178.073 175.900 0.029 0.000 1.136 280 Y CA 1.279 59.392 58.100 0.021 0.000 1.147 280 Y CB -0.276 38.200 38.460 0.027 0.000 0.987 280 Y HN -0.096 nan 8.280 nan 0.000 0.509 281 L N -0.297 121.003 121.223 0.128 0.000 2.046 281 L HA -0.214 4.120 4.340 -0.011 0.000 0.208 281 L C 2.676 179.539 176.870 -0.011 0.000 1.077 281 L CA 1.624 56.510 54.840 0.076 0.000 0.747 281 L CB -0.565 41.591 42.059 0.160 0.000 0.896 281 L HN 0.117 nan 8.230 nan 0.000 0.432 282 R N 0.154 120.649 120.500 -0.008 0.000 2.148 282 R HA -0.132 4.201 4.340 -0.011 0.000 0.227 282 R C 2.566 178.832 176.300 -0.057 0.000 1.103 282 R CA 1.435 57.522 56.100 -0.022 0.000 0.983 282 R CB -0.031 30.261 30.300 -0.012 0.000 0.874 282 R HN 0.452 nan 8.270 nan 0.000 0.451 283 S N -0.254 115.386 115.700 -0.099 0.000 2.453 283 S HA -0.042 4.421 4.470 -0.011 0.000 0.231 283 S C 1.546 176.048 174.600 -0.164 0.000 1.005 283 S CA 0.461 58.584 58.200 -0.128 0.000 0.949 283 S CB 0.038 63.146 63.200 -0.154 0.000 0.774 283 S HN 0.327 nan 8.310 nan 0.000 0.510 284 R N 0.427 120.804 120.500 -0.206 0.000 2.432 284 R HA 0.296 4.630 4.340 -0.011 0.000 0.260 284 R C 1.249 177.496 176.300 -0.089 0.000 0.935 284 R CA 0.340 56.334 56.100 -0.178 0.000 1.080 284 R CB 0.142 30.282 30.300 -0.267 0.000 1.155 284 R HN 0.541 nan 8.270 nan 0.000 0.531 285 G N 2.099 110.861 108.800 -0.064 0.000 2.179 285 G HA2 -0.289 3.665 3.960 -0.011 0.000 0.257 285 G HA3 -0.289 3.665 3.960 -0.011 0.000 0.257 285 G C 0.154 175.049 174.900 -0.009 0.000 1.010 285 G CA 0.156 45.238 45.100 -0.031 0.000 0.736 285 G HN 0.264 nan 8.290 nan 0.000 0.513 286 I N 0.622 121.193 120.570 0.002 0.000 2.428 286 I HA 0.244 4.407 4.170 -0.011 0.000 0.289 286 I C 0.654 176.818 176.117 0.079 0.000 1.019 286 I CA -0.526 60.798 61.300 0.040 0.000 1.351 286 I CB 1.089 39.130 38.000 0.068 0.000 1.412 286 I HN 0.219 nan 8.210 nan 0.000 0.513 287 D N 4.453 124.905 120.400 0.086 0.000 2.434 287 D HA -0.035 4.598 4.640 -0.011 0.000 0.252 287 D C 0.995 177.438 176.300 0.238 0.000 1.185 287 D CA -0.076 53.993 54.000 0.115 0.000 0.886 287 D CB 0.853 41.706 40.800 0.089 0.000 1.148 287 D HN 0.644 nan 8.370 nan 0.000 0.483 288 E N 2.333 122.619 120.200 0.144 0.000 2.502 288 E HA -0.072 4.272 4.350 -0.011 0.000 0.194 288 E C 0.350 176.934 176.600 -0.027 0.000 1.062 288 E CA -0.173 56.266 56.400 0.064 0.000 0.867 288 E CB -0.047 29.656 29.700 0.004 0.000 0.888 288 E HN 0.248 nan 8.360 nan 0.000 0.510 289 K N 1.179 121.619 120.400 0.066 0.000 2.430 289 K HA 0.104 4.417 4.320 -0.011 0.000 0.280 289 K C 0.837 177.462 176.600 0.042 0.000 1.063 289 K CA 1.075 57.385 56.287 0.038 0.000 1.071 289 K CB -0.161 32.374 32.500 0.059 0.000 0.899 289 K HN 0.320 nan 8.250 nan 0.000 0.473 290 G N 2.682 111.469 108.800 -0.022 0.000 2.143 290 G HA2 -0.336 3.617 3.960 -0.011 0.000 0.249 290 G HA3 -0.336 3.617 3.960 -0.011 0.000 0.249 290 G C 0.810 175.662 174.900 -0.080 0.000 0.981 290 G CA 0.650 45.752 45.100 0.003 0.000 0.665 290 G HN 0.791 nan 8.290 nan 0.000 0.528 291 S N -0.831 114.669 115.700 -0.333 0.000 2.387 291 S HA 0.022 4.485 4.470 -0.011 0.000 0.226 291 S C 2.210 176.908 174.600 0.164 0.000 1.026 291 S CA 1.601 59.593 58.200 -0.346 0.000 0.972 291 S CB -0.241 62.648 63.200 -0.519 0.000 0.814 291 S HN 0.731 nan 8.310 nan 0.000 0.477 292 V N 2.660 122.642 119.914 0.114 0.000 2.407 292 V HA -0.104 4.009 4.120 -0.011 0.000 0.248 292 V C 3.011 179.328 176.094 0.371 0.000 1.055 292 V CA 1.628 64.068 62.300 0.233 0.000 1.049 292 V CB -1.405 30.385 31.823 -0.054 0.000 0.662 292 V HN 0.665 nan 8.190 nan 0.000 0.455 293 A N -0.584 122.385 122.820 0.249 0.000 2.172 293 A HA -0.142 4.171 4.320 -0.011 0.000 0.216 293 A C 2.213 180.050 177.584 0.422 0.000 1.154 293 A CA 1.435 53.643 52.037 0.285 0.000 0.701 293 A CB -0.245 18.859 19.000 0.173 0.000 0.789 293 A HN 0.611 nan 8.150 nan 0.000 0.465 294 K N -1.901 118.738 120.400 0.399 0.000 2.313 294 K HA 0.129 4.443 4.320 -0.011 0.000 0.197 294 K C 1.157 178.066 176.600 0.515 0.000 1.061 294 K CA 0.553 57.075 56.287 0.392 0.000 0.980 294 K CB 0.068 32.615 32.500 0.079 0.000 0.888 294 K HN 0.531 nan 8.250 nan 0.000 0.502 295 H N -1.033 118.366 119.070 0.548 0.000 2.622 295 H HA 0.193 4.743 4.556 -0.010 0.000 0.269 295 H C -0.466 175.033 175.328 0.284 0.000 0.977 295 H CA 0.287 56.605 56.048 0.450 0.000 1.179 295 H CB 0.547 30.592 29.762 0.472 0.000 1.458 295 H HN -0.042 nan 8.280 nan 0.000 0.531 296 F N 1.400 121.632 119.950 0.470 0.000 2.529 296 F HA 0.343 4.866 4.527 -0.007 0.000 0.320 296 F C 0.077 176.035 175.800 0.263 0.000 1.118 296 F CA -1.155 57.073 58.000 0.380 0.000 0.915 296 F CB 1.943 41.168 39.000 0.376 0.000 1.161 296 F HN -0.258 nan 8.300 nan 0.000 0.445 297 V N 0.207 120.306 119.914 0.307 0.000 3.040 297 V HA 1.019 5.132 4.120 -0.011 0.000 0.312 297 V C -1.028 175.196 176.094 0.216 0.000 1.115 297 V CA -1.135 61.266 62.300 0.167 0.000 0.998 297 V CB 1.498 33.276 31.823 -0.076 0.000 1.042 297 V HN 0.973 nan 8.190 nan 0.000 0.433 298 A N 3.797 126.737 122.820 0.199 0.000 2.371 298 A HA 0.896 5.209 4.320 -0.011 0.000 0.311 298 A C -0.851 176.863 177.584 0.216 0.000 1.068 298 A CA -0.751 51.411 52.037 0.209 0.000 0.744 298 A CB 1.402 20.423 19.000 0.036 0.000 1.239 298 A HN 1.113 nan 8.150 nan 0.000 0.435 299 L N 2.191 123.562 121.223 0.246 0.000 2.324 299 L HA 0.668 5.002 4.340 -0.011 0.000 0.274 299 L C 0.147 177.242 176.870 0.374 0.000 1.012 299 L CA -0.182 54.819 54.840 0.269 0.000 0.859 299 L CB 0.892 43.045 42.059 0.157 0.000 1.224 299 L HN 0.643 nan 8.230 nan 0.000 0.429 300 S N 0.042 115.833 115.700 0.151 0.000 2.688 300 S HA 0.554 5.018 4.470 -0.011 0.000 0.275 300 S C 0.559 174.766 174.600 -0.654 0.000 1.175 300 S CA 0.283 58.394 58.200 -0.150 0.000 0.818 300 S CB 1.947 65.080 63.200 -0.111 0.000 1.157 300 S HN 0.684 nan 8.310 nan 0.000 0.482 301 T N -0.981 113.131 114.554 -0.738 0.000 2.971 301 T HA 0.305 4.648 4.350 -0.011 0.000 0.252 301 T C 0.243 174.703 174.700 -0.399 0.000 1.022 301 T CA -0.021 61.652 62.100 -0.713 0.000 0.980 301 T CB -0.264 68.172 68.868 -0.720 0.000 1.044 301 T HN 0.325 nan 8.240 nan 0.000 0.501 302 N N 2.104 120.619 118.700 -0.309 0.000 2.602 302 N HA 0.292 5.025 4.740 -0.011 0.000 0.238 302 N C 0.029 175.380 175.510 -0.264 0.000 1.084 302 N CA -0.100 52.822 53.050 -0.213 0.000 0.952 302 N CB 0.503 38.928 38.487 -0.104 0.000 1.244 302 N HN 0.292 nan 8.380 nan 0.000 0.512 303 N N 1.701 120.268 118.700 -0.222 0.000 2.166 303 N HA -0.169 4.564 4.740 -0.011 0.000 0.186 303 N C 1.348 176.754 175.510 -0.173 0.000 1.019 303 N CA 1.078 54.003 53.050 -0.208 0.000 0.856 303 N CB 0.125 38.521 38.487 -0.151 0.000 0.993 303 N HN 0.484 nan 8.380 nan 0.000 0.426 304 Q N 0.906 120.632 119.800 -0.123 0.000 1.993 304 Q HA 0.011 4.344 4.340 -0.011 0.000 0.202 304 Q C 1.417 177.376 176.000 -0.068 0.000 0.984 304 Q CA 1.400 57.158 55.803 -0.076 0.000 0.837 304 Q CB 0.086 28.798 28.738 -0.043 0.000 0.902 304 Q HN 0.067 nan 8.270 nan 0.000 0.423 305 K N -0.451 119.910 120.400 -0.066 0.000 2.209 305 K HA -0.042 4.271 4.320 -0.011 0.000 0.204 305 K C 1.980 178.523 176.600 -0.095 0.000 1.048 305 K CA 0.692 56.988 56.287 0.016 0.000 0.940 305 K CB -0.374 32.217 32.500 0.151 0.000 0.729 305 K HN 0.140 nan 8.250 nan 0.000 0.451 306 V N 1.232 120.876 119.914 -0.449 0.000 2.379 306 V HA -0.182 3.931 4.120 -0.011 0.000 0.245 306 V C 2.500 178.497 176.094 -0.162 0.000 1.044 306 V CA 1.503 63.420 62.300 -0.639 0.000 1.036 306 V CB -0.294 31.103 31.823 -0.710 0.000 0.664 306 V HN 0.315 nan 8.190 nan 0.000 0.453 307 K N 0.134 120.464 120.400 -0.118 0.000 2.057 307 K HA -0.181 4.132 4.320 -0.011 0.000 0.206 307 K C 2.014 178.616 176.600 0.003 0.000 1.050 307 K CA 1.595 57.853 56.287 -0.047 0.000 0.935 307 K CB -0.075 32.391 32.500 -0.057 0.000 0.715 307 K HN 0.541 nan 8.250 nan 0.000 0.439 308 E N -0.654 119.564 120.200 0.029 0.000 2.338 308 E HA -0.163 4.180 4.350 -0.011 0.000 0.197 308 E C 1.441 178.103 176.600 0.102 0.000 1.007 308 E CA 0.555 56.989 56.400 0.056 0.000 0.849 308 E CB -0.013 29.729 29.700 0.069 0.000 0.774 308 E HN 0.293 nan 8.360 nan 0.000 0.506 309 F N -0.083 119.875 119.950 0.015 0.000 2.473 309 F HA 0.159 4.682 4.527 -0.008 0.000 0.294 309 F C 1.534 177.315 175.800 -0.031 0.000 1.103 309 F CA 1.343 59.368 58.000 0.042 0.000 1.442 309 F CB 0.722 39.845 39.000 0.206 0.000 1.097 309 F HN 0.047 nan 8.300 nan 0.000 0.547 310 G N 0.791 109.580 108.800 -0.019 0.000 2.192 310 G HA2 -0.184 3.769 3.960 -0.011 0.000 0.193 310 G HA3 -0.184 3.769 3.960 -0.011 0.000 0.193 310 G C 0.182 175.089 174.900 0.013 0.000 0.999 310 G CA -0.055 44.986 45.100 -0.098 0.000 0.659 310 G HN 0.245 nan 8.290 nan 0.000 0.503 311 I N 2.578 123.232 120.570 0.140 0.000 2.371 311 I HA 0.263 4.426 4.170 -0.011 0.000 0.290 311 I C -0.016 176.132 176.117 0.053 0.000 1.028 311 I CA -0.794 60.601 61.300 0.157 0.000 1.345 311 I CB 0.702 38.845 38.000 0.238 0.000 1.407 311 I HN 0.006 nan 8.210 nan 0.000 0.501 312 D N 5.461 125.892 120.400 0.053 0.000 2.361 312 D HA 0.012 4.645 4.640 -0.011 0.000 0.239 312 D C 1.064 177.340 176.300 -0.040 0.000 1.200 312 D CA -0.161 53.846 54.000 0.011 0.000 0.915 312 D CB 0.676 41.498 40.800 0.037 0.000 1.170 312 D HN 0.494 nan 8.370 nan 0.000 0.444 313 E N 0.277 120.442 120.200 -0.059 0.000 2.085 313 E HA -0.184 4.159 4.350 -0.011 0.000 0.194 313 E C 1.431 177.942 176.600 -0.148 0.000 0.994 313 E CA 0.924 57.264 56.400 -0.101 0.000 0.801 313 E CB 0.061 29.715 29.700 -0.077 0.000 0.743 313 E HN 0.490 nan 8.360 nan 0.000 0.453 314 E N 0.527 120.657 120.200 -0.115 0.000 2.482 314 E HA -0.079 4.264 4.350 -0.011 0.000 0.196 314 E C 0.707 177.138 176.600 -0.281 0.000 1.047 314 E CA 0.517 56.821 56.400 -0.161 0.000 0.869 314 E CB -0.081 29.585 29.700 -0.057 0.000 0.836 314 E HN 0.147 nan 8.360 nan 0.000 0.520 315 N N 0.287 118.851 118.700 -0.227 0.000 2.280 315 N HA 0.137 4.870 4.740 -0.011 0.000 0.192 315 N C -0.167 175.143 175.510 -0.335 0.000 1.109 315 N CA 0.086 52.982 53.050 -0.256 0.000 0.855 315 N CB 0.422 38.912 38.487 0.005 0.000 0.974 315 N HN 0.198 nan 8.380 nan 0.000 0.482 316 M N 0.634 119.984 119.600 -0.418 0.000 2.180 316 M HA 0.346 4.819 4.480 -0.011 0.000 0.350 316 M C -1.357 174.618 176.300 -0.542 0.000 1.125 316 M CA -0.590 54.515 55.300 -0.325 0.000 1.031 316 M CB 0.634 33.085 32.600 -0.248 0.000 1.623 316 M HN -0.172 nan 8.290 nan 0.000 0.451 317 F N 3.286 123.137 119.950 -0.165 0.000 2.332 317 F HA 0.361 4.881 4.527 -0.012 0.000 0.368 317 F C 0.217 175.933 175.800 -0.140 0.000 1.110 317 F CA -0.642 57.276 58.000 -0.137 0.000 1.087 317 F CB 1.080 40.001 39.000 -0.132 0.000 1.235 317 F HN 0.522 nan 8.300 nan 0.000 0.470 318 Q N 3.844 123.566 119.800 -0.130 0.000 2.327 318 Q HA 0.515 4.849 4.340 -0.011 0.000 0.254 318 Q C -0.983 174.605 176.000 -0.686 0.000 0.952 318 Q CA -0.042 55.528 55.803 -0.387 0.000 0.884 318 Q CB 0.747 29.251 28.738 -0.390 0.000 1.224 318 Q HN 0.537 nan 8.270 nan 0.000 0.422 319 F N 0.806 120.040 119.950 -1.194 0.000 2.662 319 F HA 0.774 5.294 4.527 -0.012 0.000 0.312 319 F C -1.650 173.300 175.800 -1.416 0.000 1.113 319 F CA -1.185 55.930 58.000 -1.476 0.000 0.951 319 F CB 1.068 39.729 39.000 -0.565 0.000 1.344 319 F HN 0.399 nan 8.300 nan 0.000 0.462 320 W N 1.473 122.511 121.300 -0.436 0.000 2.671 320 W HA 0.211 4.865 4.660 -0.010 0.000 0.360 320 W C 0.406 176.588 176.519 -0.561 0.000 1.128 320 W CA -0.198 56.713 57.345 -0.723 0.000 1.184 320 W CB 1.101 29.763 29.460 -1.330 0.000 1.415 320 W HN 0.746 nan 8.180 nan 0.000 0.604 321 D N -0.415 119.857 120.400 -0.214 0.000 2.263 321 D HA -0.200 4.433 4.640 -0.011 0.000 0.208 321 D C 1.450 177.818 176.300 0.112 0.000 0.971 321 D CA 1.200 55.176 54.000 -0.039 0.000 0.867 321 D CB -0.649 40.169 40.800 0.030 0.000 0.929 321 D HN 0.563 nan 8.370 nan 0.000 0.492 322 W N 0.585 122.018 121.300 0.221 0.000 3.180 322 W HA 0.367 5.022 4.660 -0.010 0.000 0.254 322 W C -0.516 176.124 176.519 0.202 0.000 1.318 322 W CA -0.640 56.795 57.345 0.149 0.000 1.608 322 W CB -0.326 29.173 29.460 0.064 0.000 1.124 322 W HN -0.262 nan 8.180 nan 0.000 0.694 323 V N 2.573 122.707 119.914 0.367 0.000 2.311 323 V HA 0.467 4.580 4.120 -0.011 0.000 0.275 323 V C 0.911 177.246 176.094 0.401 0.000 1.022 323 V CA -0.604 61.965 62.300 0.447 0.000 0.830 323 V CB 0.444 32.535 31.823 0.447 0.000 1.012 323 V HN 0.122 nan 8.190 nan 0.000 0.452 324 G N 3.157 112.211 108.800 0.424 0.000 2.483 324 G HA2 0.408 4.361 3.960 -0.011 0.000 0.248 324 G HA3 0.408 4.361 3.960 -0.011 0.000 0.248 324 G C 1.125 176.220 174.900 0.324 0.000 1.248 324 G CA 0.198 45.541 45.100 0.403 0.000 0.838 324 G HN 0.861 nan 8.290 nan 0.000 0.566 325 G N 1.363 110.285 108.800 0.203 0.000 2.476 325 G HA2 -0.272 3.681 3.960 -0.011 0.000 0.218 325 G HA3 -0.272 3.681 3.960 -0.011 0.000 0.218 325 G C 1.663 176.550 174.900 -0.022 0.000 1.164 325 G CA 0.937 46.088 45.100 0.085 0.000 0.768 325 G HN 0.776 nan 8.290 nan 0.000 0.560 326 R N -0.887 119.552 120.500 -0.102 0.000 2.339 326 R HA 0.118 4.452 4.340 -0.011 0.000 0.199 326 R C 0.366 176.365 176.300 -0.501 0.000 1.018 326 R CA 0.624 56.494 56.100 -0.384 0.000 1.036 326 R CB -0.271 29.720 30.300 -0.516 0.000 0.899 326 R HN 0.463 nan 8.270 nan 0.000 0.473 327 Y N 0.294 120.596 120.300 0.003 0.000 2.738 327 Y HA 0.184 4.727 4.550 -0.011 0.000 0.249 327 Y C 1.294 177.324 175.900 0.217 0.000 1.153 327 Y CA -0.359 57.788 58.100 0.078 0.000 1.165 327 Y CB 1.180 39.541 38.460 -0.164 0.000 1.235 327 Y HN 0.179 nan 8.280 nan 0.000 0.559 328 S N -0.883 114.903 115.700 0.143 0.000 2.524 328 S HA -0.050 4.413 4.470 -0.011 0.000 0.215 328 S C 1.713 176.226 174.600 -0.145 0.000 0.986 328 S CA 0.097 58.294 58.200 -0.005 0.000 0.911 328 S CB -0.458 62.608 63.200 -0.222 0.000 0.805 328 S HN 0.552 nan 8.310 nan 0.000 0.501 329 M N -0.986 118.437 119.600 -0.296 0.000 2.446 329 M HA 0.123 4.597 4.480 -0.011 0.000 0.263 329 M C 1.182 177.281 176.300 -0.334 0.000 1.066 329 M CA 1.104 56.151 55.300 -0.423 0.000 1.087 329 M CB -1.058 31.154 32.600 -0.647 0.000 1.406 329 M HN 0.404 nan 8.290 nan 0.000 0.459 330 W N 1.660 123.019 121.300 0.099 0.000 2.770 330 W HA 0.160 4.813 4.660 -0.011 0.000 0.256 330 W C 1.905 178.596 176.519 0.285 0.000 1.291 330 W CA 0.300 57.724 57.345 0.132 0.000 1.396 330 W CB -0.521 28.998 29.460 0.098 0.000 1.114 330 W HN 0.374 nan 8.180 nan 0.000 0.637 331 S N 0.679 116.583 115.700 0.341 0.000 2.397 331 S HA 0.571 5.035 4.470 -0.011 0.000 0.261 331 S C 1.701 176.356 174.600 0.092 0.000 1.187 331 S CA 0.013 58.353 58.200 0.234 0.000 1.023 331 S CB 0.102 63.317 63.200 0.025 0.000 1.103 331 S HN 0.038 nan 8.310 nan 0.000 0.474 332 A N 0.167 122.976 122.820 -0.018 0.000 2.024 332 A HA 0.023 4.336 4.320 -0.011 0.000 0.220 332 A C 2.092 179.571 177.584 -0.176 0.000 1.164 332 A CA 1.123 53.135 52.037 -0.042 0.000 0.643 332 A CB -1.086 17.977 19.000 0.105 0.000 0.806 332 A HN 0.694 nan 8.150 nan 0.000 0.451 333 I N 0.042 120.424 120.570 -0.313 0.000 2.423 333 I HA -0.186 3.977 4.170 -0.011 0.000 0.254 333 I C 2.312 178.328 176.117 -0.169 0.000 1.151 333 I CA 1.434 62.564 61.300 -0.284 0.000 1.421 333 I CB -1.607 36.139 38.000 -0.424 0.000 1.079 333 I HN 0.373 nan 8.210 nan 0.000 0.431 334 G N 0.243 108.978 108.800 -0.108 0.000 2.956 334 G HA2 -0.056 3.898 3.960 -0.011 0.000 0.207 334 G HA3 -0.056 3.898 3.960 -0.011 0.000 0.207 334 G C 1.576 176.309 174.900 -0.279 0.000 1.162 334 G CA -0.147 44.939 45.100 -0.024 0.000 0.796 334 G HN 0.267 nan 8.290 nan 0.000 0.527 335 L N 2.020 123.046 121.223 -0.328 0.000 2.013 335 L HA -0.016 4.317 4.340 -0.011 0.000 0.212 335 L C 0.253 176.964 176.870 -0.264 0.000 1.073 335 L CA 2.160 56.756 54.840 -0.406 0.000 0.753 335 L CB -0.785 40.944 42.059 -0.550 0.000 0.890 335 L HN 0.083 nan 8.230 nan 0.000 0.432 336 P HA -0.166 nan 4.420 nan 0.000 0.220 336 P C 1.982 179.271 177.300 -0.018 0.000 1.148 336 P CA 1.713 64.776 63.100 -0.060 0.000 0.803 336 P CB -0.059 31.679 31.700 0.063 0.000 0.782 337 I N -1.025 119.540 120.570 -0.009 0.000 2.233 337 I HA -0.162 4.002 4.170 -0.011 0.000 0.243 337 I C 2.898 179.040 176.117 0.041 0.000 1.093 337 I CA 1.247 62.585 61.300 0.063 0.000 1.380 337 I CB -0.629 37.479 38.000 0.179 0.000 1.067 337 I HN -0.133 nan 8.210 nan 0.000 0.413 338 M N 0.910 120.425 119.600 -0.142 0.000 2.159 338 M HA -0.190 4.283 4.480 -0.011 0.000 0.263 338 M C 2.354 178.596 176.300 -0.096 0.000 1.063 338 M CA 1.955 57.139 55.300 -0.193 0.000 1.110 338 M CB -0.034 32.243 32.600 -0.537 0.000 1.374 338 M HN 0.148 nan 8.290 nan 0.000 0.411 339 I N -0.895 119.599 120.570 -0.127 0.000 2.286 339 I HA -0.283 3.880 4.170 -0.011 0.000 0.248 339 I C 2.614 178.687 176.117 -0.074 0.000 1.115 339 I CA 1.292 62.521 61.300 -0.119 0.000 1.392 339 I CB -0.408 37.500 38.000 -0.153 0.000 1.065 339 I HN 0.363 nan 8.210 nan 0.000 0.418 340 S N 1.236 116.910 115.700 -0.043 0.000 2.345 340 S HA -0.092 4.371 4.470 -0.011 0.000 0.219 340 S C 1.940 176.547 174.600 0.012 0.000 1.031 340 S CA 1.386 59.576 58.200 -0.017 0.000 0.984 340 S CB -0.167 63.040 63.200 0.012 0.000 0.874 340 S HN 0.518 nan 8.310 nan 0.000 0.451 341 I N -1.816 118.781 120.570 0.045 0.000 3.783 341 I HA 0.458 4.621 4.170 -0.011 0.000 0.310 341 I C 0.915 177.083 176.117 0.086 0.000 1.274 341 I CA 0.280 61.628 61.300 0.080 0.000 1.294 341 I CB -0.568 37.490 38.000 0.097 0.000 1.051 341 I HN 0.433 nan 8.210 nan 0.000 0.435 342 G N 1.250 110.093 108.800 0.073 0.000 2.690 342 G HA2 -0.335 3.619 3.960 -0.011 0.000 0.686 342 G HA3 -0.335 3.619 3.960 -0.011 0.000 0.686 342 G C -0.205 174.791 174.900 0.159 0.000 1.277 342 G CA 0.047 45.205 45.100 0.096 0.000 0.799 342 G HN 0.352 nan 8.290 nan 0.000 0.613 343 Y N 1.052 121.382 120.300 0.050 0.000 2.128 343 Y HA -0.139 4.404 4.550 -0.011 0.000 0.284 343 Y C 2.687 178.668 175.900 0.135 0.000 1.154 343 Y CA 3.024 61.179 58.100 0.091 0.000 1.149 343 Y CB -0.157 38.338 38.460 0.059 0.000 0.976 343 Y HN 0.733 nan 8.280 nan 0.000 0.505 344 E N 0.333 120.578 120.200 0.075 0.000 2.085 344 E HA -0.211 4.132 4.350 -0.011 0.000 0.194 344 E C 1.894 178.452 176.600 -0.070 0.000 0.994 344 E CA 1.664 58.045 56.400 -0.032 0.000 0.801 344 E CB -0.392 29.349 29.700 0.070 0.000 0.743 344 E HN 0.477 nan 8.360 nan 0.000 0.453 345 N N -0.615 118.081 118.700 -0.005 0.000 2.300 345 N HA -0.078 4.656 4.740 -0.011 0.000 0.179 345 N C 1.474 176.957 175.510 -0.045 0.000 1.016 345 N CA 0.475 53.498 53.050 -0.044 0.000 0.876 345 N CB -0.226 38.256 38.487 -0.007 0.000 0.979 345 N HN 0.141 nan 8.380 nan 0.000 0.432 346 F N 1.358 121.227 119.950 -0.136 0.000 2.206 346 F HA -0.052 4.468 4.527 -0.011 0.000 0.298 346 F C 2.104 177.816 175.800 -0.147 0.000 1.090 346 F CA 0.653 58.584 58.000 -0.115 0.000 1.323 346 F CB -0.071 38.890 39.000 -0.065 0.000 1.028 346 F HN -0.239 nan 8.300 nan 0.000 0.492 347 V N 0.105 119.922 119.914 -0.162 0.000 2.427 347 V HA -0.228 3.886 4.120 -0.011 0.000 0.248 347 V C 2.373 178.363 176.094 -0.174 0.000 1.051 347 V CA 1.862 64.018 62.300 -0.239 0.000 1.048 347 V CB -0.495 31.076 31.823 -0.420 0.000 0.666 347 V HN 0.258 nan 8.190 nan 0.000 0.456 348 E N -0.227 119.875 120.200 -0.162 0.000 2.106 348 E HA -0.191 4.152 4.350 -0.011 0.000 0.192 348 E C 2.104 178.617 176.600 -0.145 0.000 0.984 348 E CA 1.074 57.391 56.400 -0.138 0.000 0.806 348 E CB -0.320 29.289 29.700 -0.152 0.000 0.750 348 E HN 0.478 nan 8.360 nan 0.000 0.458 349 L N 0.808 121.910 121.223 -0.200 0.000 2.046 349 L HA -0.138 4.195 4.340 -0.011 0.000 0.208 349 L C 2.218 179.057 176.870 -0.052 0.000 1.077 349 L CA 1.475 56.207 54.840 -0.180 0.000 0.747 349 L CB -0.579 41.261 42.059 -0.365 0.000 0.896 349 L HN 0.065 nan 8.230 nan 0.000 0.432 350 L N -1.149 119.982 121.223 -0.153 0.000 2.093 350 L HA -0.176 4.157 4.340 -0.011 0.000 0.208 350 L C 2.303 179.134 176.870 -0.064 0.000 1.085 350 L CA 1.646 56.440 54.840 -0.076 0.000 0.755 350 L CB -1.048 40.960 42.059 -0.085 0.000 0.904 350 L HN 0.288 nan 8.230 nan 0.000 0.435 351 T N -0.475 114.048 114.554 -0.052 0.000 2.821 351 T HA -0.101 4.242 4.350 -0.011 0.000 0.267 351 T C 1.873 176.589 174.700 0.028 0.000 1.046 351 T CA 1.206 63.310 62.100 0.007 0.000 1.139 351 T CB -0.510 68.352 68.868 -0.011 0.000 0.871 351 T HN 0.541 nan 8.240 nan 0.000 0.454 352 G N 1.164 109.959 108.800 -0.009 0.000 2.422 352 G HA2 -0.030 3.923 3.960 -0.011 0.000 0.218 352 G HA3 -0.030 3.923 3.960 -0.011 0.000 0.218 352 G C 1.806 176.700 174.900 -0.010 0.000 1.146 352 G CA 0.831 45.930 45.100 -0.002 0.000 0.769 352 G HN 0.579 nan 8.290 nan 0.000 0.547 353 A N 0.281 123.056 122.820 -0.075 0.000 1.898 353 A HA -0.043 4.271 4.320 -0.011 0.000 0.216 353 A C 2.103 179.622 177.584 -0.108 0.000 1.181 353 A CA 1.996 53.894 52.037 -0.231 0.000 0.620 353 A CB -0.737 17.797 19.000 -0.776 0.000 0.819 353 A HN 0.486 nan 8.150 nan 0.000 0.442 354 H N -0.234 118.751 119.070 -0.142 0.000 2.353 354 H HA -0.079 4.470 4.556 -0.011 0.000 0.300 354 H C 1.862 177.208 175.328 0.031 0.000 1.090 354 H CA 1.937 57.950 56.048 -0.058 0.000 1.327 354 H CB -0.294 29.434 29.762 -0.057 0.000 1.383 354 H HN 0.113 nan 8.280 nan 0.000 0.508 355 V N 0.537 120.446 119.914 -0.008 0.000 2.332 355 V HA -0.234 3.879 4.120 -0.011 0.000 0.248 355 V C 2.348 178.466 176.094 0.039 0.000 1.055 355 V CA 1.634 63.925 62.300 -0.014 0.000 1.038 355 V CB -0.430 31.412 31.823 0.031 0.000 0.651 355 V HN 0.465 nan 8.190 nan 0.000 0.450 356 I N -0.123 120.492 120.570 0.074 0.000 2.617 356 I HA -0.103 4.060 4.170 -0.011 0.000 0.256 356 I C 2.122 178.437 176.117 0.330 0.000 1.167 356 I CA 1.195 62.605 61.300 0.183 0.000 1.469 356 I CB -1.113 36.962 38.000 0.124 0.000 1.098 356 I HN 0.350 nan 8.210 nan 0.000 0.436 357 D N 0.847 121.407 120.400 0.266 0.000 2.117 357 D HA -0.146 4.487 4.640 -0.011 0.000 0.198 357 D C 2.062 178.544 176.300 0.304 0.000 0.982 357 D CA 0.966 55.237 54.000 0.451 0.000 0.828 357 D CB 0.023 40.992 40.800 0.281 0.000 0.967 357 D HN 0.240 nan 8.370 nan 0.000 0.464 358 E N 0.062 120.291 120.200 0.049 0.000 2.106 358 E HA -0.172 4.172 4.350 -0.011 0.000 0.192 358 E C 2.017 178.631 176.600 0.024 0.000 0.984 358 E CA 0.774 57.154 56.400 -0.033 0.000 0.806 358 E CB -0.433 29.174 29.700 -0.155 0.000 0.750 358 E HN 0.526 nan 8.360 nan 0.000 0.458 359 H N -0.197 118.884 119.070 0.018 0.000 2.357 359 H HA -0.115 4.434 4.556 -0.011 0.000 0.301 359 H C 1.885 177.251 175.328 0.063 0.000 1.082 359 H CA 1.575 57.647 56.048 0.040 0.000 1.342 359 H CB -0.338 29.470 29.762 0.076 0.000 1.389 359 H HN 0.103 nan 8.280 nan 0.000 0.511 360 F N 1.073 120.951 119.950 -0.119 0.000 2.146 360 F HA -0.015 4.505 4.527 -0.011 0.000 0.298 360 F C 2.441 178.005 175.800 -0.394 0.000 1.096 360 F CA 1.501 59.349 58.000 -0.254 0.000 1.275 360 F CB -1.018 37.880 39.000 -0.170 0.000 1.008 360 F HN 0.286 nan 8.300 nan 0.000 0.480 361 A N -0.067 122.411 122.820 -0.570 0.000 2.014 361 A HA -0.084 4.229 4.320 -0.011 0.000 0.218 361 A C 1.814 179.091 177.584 -0.512 0.000 1.163 361 A CA 1.644 53.199 52.037 -0.804 0.000 0.652 361 A CB -0.494 17.984 19.000 -0.870 0.000 0.808 361 A HN 0.532 nan 8.150 nan 0.000 0.449 362 N N -0.439 118.053 118.700 -0.347 0.000 2.397 362 N HA 0.199 4.932 4.740 -0.011 0.000 0.190 362 N C 0.672 176.046 175.510 -0.227 0.000 1.099 362 N CA 0.681 53.582 53.050 -0.248 0.000 0.876 362 N CB -0.235 38.158 38.487 -0.158 0.000 1.143 362 N HN 0.344 nan 8.380 nan 0.000 0.468 363 A N 3.600 126.251 122.820 -0.282 0.000 2.477 363 A HA 0.279 4.592 4.320 -0.011 0.000 0.246 363 A C -2.013 175.434 177.584 -0.228 0.000 1.078 363 A CA -0.766 51.115 52.037 -0.260 0.000 0.770 363 A CB -0.327 18.397 19.000 -0.460 0.000 1.011 363 A HN 0.018 nan 8.150 nan 0.000 0.494 364 P HA 0.085 nan 4.420 nan 0.000 0.266 364 P C -2.169 175.051 177.300 -0.133 0.000 1.195 364 P CA -1.049 61.974 63.100 -0.129 0.000 0.768 364 P CB 0.116 31.763 31.700 -0.088 0.000 0.838 365 P HA -0.250 nan 4.420 nan 0.000 0.219 365 P C 1.449 178.683 177.300 -0.111 0.000 1.158 365 P CA 1.936 64.962 63.100 -0.123 0.000 0.895 365 P CB -0.155 31.479 31.700 -0.110 0.000 0.792 366 E N -1.138 119.002 120.200 -0.099 0.000 2.418 366 E HA -0.142 4.201 4.350 -0.011 0.000 0.197 366 E C 0.934 177.501 176.600 -0.055 0.000 1.026 366 E CA 1.042 57.386 56.400 -0.093 0.000 0.862 366 E CB -0.640 29.004 29.700 -0.094 0.000 0.799 366 E HN 0.334 nan 8.360 nan 0.000 0.518 367 Q N 0.597 120.373 119.800 -0.041 0.000 2.135 367 Q HA 0.188 4.521 4.340 -0.011 0.000 0.231 367 Q C -0.387 175.637 176.000 0.040 0.000 0.817 367 Q CA -0.128 55.688 55.803 0.022 0.000 1.073 367 Q CB 0.360 29.117 28.738 0.032 0.000 1.176 367 Q HN 0.132 nan 8.270 nan 0.000 0.478 368 N N 1.173 119.851 118.700 -0.036 0.000 2.527 368 N HA 0.097 4.830 4.740 -0.011 0.000 0.236 368 N C 1.082 176.639 175.510 0.079 0.000 0.999 368 N CA 0.053 53.063 53.050 -0.066 0.000 0.935 368 N CB 1.326 39.736 38.487 -0.128 0.000 1.132 368 N HN -0.167 nan 8.380 nan 0.000 0.511 369 V N 5.972 126.080 119.914 0.324 0.000 2.252 369 V HA -0.183 3.930 4.120 -0.011 0.000 0.249 369 V C -0.829 175.300 176.094 0.059 0.000 1.056 369 V CA 1.908 64.316 62.300 0.179 0.000 1.022 369 V CB -1.096 30.837 31.823 0.183 0.000 0.641 369 V HN 0.588 nan 8.190 nan 0.000 0.445 370 P HA -0.095 nan 4.420 nan 0.000 0.219 370 P C 1.851 179.156 177.300 0.008 0.000 1.150 370 P CA 0.947 64.026 63.100 -0.035 0.000 0.814 370 P CB -0.027 31.546 31.700 -0.211 0.000 0.787 371 L N -1.024 120.279 121.223 0.132 0.000 2.056 371 L HA -0.107 4.226 4.340 -0.011 0.000 0.207 371 L C 2.123 178.964 176.870 -0.047 0.000 1.078 371 L CA 1.749 56.651 54.840 0.103 0.000 0.749 371 L CB -1.178 40.938 42.059 0.096 0.000 0.901 371 L HN -0.148 nan 8.230 nan 0.000 0.433 372 L N -1.378 119.760 121.223 -0.141 0.000 2.056 372 L HA -0.200 4.133 4.340 -0.011 0.000 0.207 372 L C 2.440 179.144 176.870 -0.277 0.000 1.078 372 L CA 0.742 55.375 54.840 -0.344 0.000 0.749 372 L CB -0.611 41.056 42.059 -0.654 0.000 0.901 372 L HN 0.302 nan 8.230 nan 0.000 0.433 373 L N -0.063 121.059 121.223 -0.167 0.000 2.083 373 L HA -0.169 4.164 4.340 -0.011 0.000 0.209 373 L C 2.610 179.475 176.870 -0.008 0.000 1.083 373 L CA 2.001 56.800 54.840 -0.068 0.000 0.752 373 L CB -0.783 41.219 42.059 -0.094 0.000 0.899 373 L HN 0.181 nan 8.230 nan 0.000 0.433 374 A N -1.110 121.692 122.820 -0.031 0.000 1.898 374 A HA -0.118 4.196 4.320 -0.011 0.000 0.216 374 A C 2.234 179.829 177.584 0.017 0.000 1.181 374 A CA 1.582 53.608 52.037 -0.018 0.000 0.620 374 A CB -0.679 18.300 19.000 -0.035 0.000 0.819 374 A HN 0.427 nan 8.150 nan 0.000 0.442 375 L N -0.550 120.675 121.223 0.004 0.000 2.141 375 L HA -0.113 4.220 4.340 -0.011 0.000 0.209 375 L C 2.435 179.379 176.870 0.123 0.000 1.094 375 L CA 0.680 55.544 54.840 0.040 0.000 0.763 375 L CB -0.414 41.620 42.059 -0.041 0.000 0.908 375 L HN 0.226 nan 8.230 nan 0.000 0.437 376 V N 0.115 120.097 119.914 0.114 0.000 2.427 376 V HA -0.177 3.936 4.120 -0.011 0.000 0.248 376 V C 2.578 178.933 176.094 0.435 0.000 1.051 376 V CA 1.948 64.409 62.300 0.268 0.000 1.048 376 V CB -1.079 30.907 31.823 0.272 0.000 0.666 376 V HN 0.556 nan 8.190 nan 0.000 0.456 377 G N -0.432 108.567 108.800 0.331 0.000 2.404 377 G HA2 -0.182 3.772 3.960 -0.011 0.000 0.215 377 G HA3 -0.182 3.772 3.960 -0.011 0.000 0.215 377 G C 1.680 176.829 174.900 0.414 0.000 1.174 377 G CA 1.086 46.402 45.100 0.359 0.000 0.780 377 G HN 0.361 nan 8.290 nan 0.000 0.537 378 V N 0.101 120.232 119.914 0.362 0.000 2.407 378 V HA -0.140 3.974 4.120 -0.011 0.000 0.248 378 V C 2.223 178.662 176.094 0.574 0.000 1.055 378 V CA 1.575 64.164 62.300 0.481 0.000 1.049 378 V CB -0.483 31.560 31.823 0.367 0.000 0.662 378 V HN 0.661 nan 8.190 nan 0.000 0.455 379 W N -0.527 120.916 121.300 0.237 0.000 2.363 379 W HA -0.228 4.425 4.660 -0.011 0.000 0.296 379 W C 2.249 178.854 176.519 0.144 0.000 1.212 379 W CA 1.454 58.866 57.345 0.111 0.000 1.260 379 W CB -0.190 29.166 29.460 -0.174 0.000 1.131 379 W HN 0.322 nan 8.180 nan 0.000 0.530 380 Y N 0.286 120.754 120.300 0.281 0.000 2.314 380 Y HA -0.061 4.482 4.550 -0.011 0.000 0.294 380 Y C 2.424 178.422 175.900 0.162 0.000 1.119 380 Y CA 1.489 59.653 58.100 0.106 0.000 1.179 380 Y CB -0.876 37.638 38.460 0.091 0.000 1.025 380 Y HN -0.179 nan 8.280 nan 0.000 0.541 381 I N -0.005 120.789 120.570 0.372 0.000 2.193 381 I HA -0.291 3.872 4.170 -0.011 0.000 0.240 381 I C 1.262 177.458 176.117 0.130 0.000 1.084 381 I CA 1.805 63.266 61.300 0.267 0.000 1.365 381 I CB -0.378 37.829 38.000 0.346 0.000 1.064 381 I HN 0.174 nan 8.210 nan 0.000 0.410 382 N N -0.359 118.428 118.700 0.144 0.000 2.424 382 N HA 0.026 4.759 4.740 -0.011 0.000 0.178 382 N C 1.191 176.343 175.510 -0.596 0.000 1.060 382 N CA 0.834 53.805 53.050 -0.132 0.000 0.901 382 N CB 0.129 38.637 38.487 0.035 0.000 0.979 382 N HN 0.225 nan 8.380 nan 0.000 0.451 383 F N -1.725 117.975 119.950 -0.417 0.000 2.619 383 F HA 0.322 4.842 4.527 -0.011 0.000 0.281 383 F C 0.983 175.988 175.800 -1.326 0.000 1.065 383 F CA -0.145 57.266 58.000 -0.981 0.000 1.304 383 F CB 0.109 38.334 39.000 -1.291 0.000 1.059 383 F HN -0.105 nan 8.300 nan 0.000 0.648 384 F N 0.353 119.903 119.950 -0.667 0.000 2.569 384 F HA 0.314 4.834 4.527 -0.011 0.000 0.295 384 F C 1.934 177.646 175.800 -0.146 0.000 1.115 384 F CA 0.841 58.626 58.000 -0.359 0.000 1.450 384 F CB -0.363 38.579 39.000 -0.097 0.000 1.107 384 F HN 0.062 nan 8.300 nan 0.000 0.563 385 G N 0.624 109.435 108.800 0.018 0.000 2.147 385 G HA2 -0.142 3.811 3.960 -0.011 0.000 0.244 385 G HA3 -0.142 3.811 3.960 -0.011 0.000 0.244 385 G C 0.203 175.157 174.900 0.089 0.000 1.005 385 G CA -0.034 45.077 45.100 0.019 0.000 0.713 385 G HN 0.628 nan 8.290 nan 0.000 0.515 386 A N 0.241 123.159 122.820 0.165 0.000 2.376 386 A HA 0.661 4.974 4.320 -0.011 0.000 0.298 386 A C 1.490 179.163 177.584 0.148 0.000 1.271 386 A CA 0.436 52.572 52.037 0.165 0.000 0.926 386 A CB 0.567 19.689 19.000 0.204 0.000 1.141 386 A HN 1.666 nan 8.150 nan 0.000 0.539 387 V N 1.323 121.298 119.914 0.102 0.000 3.649 387 V HA 0.182 4.295 4.120 -0.011 0.000 0.275 387 V C 0.691 176.854 176.094 0.114 0.000 1.281 387 V CA 1.004 63.354 62.300 0.083 0.000 1.143 387 V CB -1.422 30.419 31.823 0.031 0.000 0.892 387 V HN 0.875 nan 8.190 nan 0.000 0.441 388 T N -1.425 113.224 114.554 0.158 0.000 2.924 388 T HA 0.693 5.036 4.350 -0.011 0.000 0.291 388 T C -0.970 173.916 174.700 0.310 0.000 1.045 388 T CA -0.470 61.770 62.100 0.234 0.000 1.015 388 T CB 2.319 71.322 68.868 0.226 0.000 1.103 388 T HN 0.557 nan 8.240 nan 0.000 0.496 389 H N 0.024 119.221 119.070 0.212 0.000 3.017 389 H HA 0.608 5.157 4.556 -0.011 0.000 0.340 389 H C -0.973 174.287 175.328 -0.114 0.000 1.014 389 H CA -0.283 55.816 56.048 0.085 0.000 1.341 389 H CB 1.252 31.079 29.762 0.109 0.000 1.739 389 H HN 1.105 nan 8.280 nan 0.000 0.506 390 A N 5.736 128.216 122.820 -0.566 0.000 2.290 390 A HA 0.504 4.817 4.320 -0.011 0.000 0.310 390 A C -0.704 176.578 177.584 -0.504 0.000 1.202 390 A CA -0.647 50.877 52.037 -0.855 0.000 0.837 390 A CB 0.330 18.763 19.000 -0.945 0.000 1.139 390 A HN 0.593 nan 8.150 nan 0.000 0.509 391 I N 3.961 124.317 120.570 -0.356 0.000 2.330 391 I HA 0.231 4.394 4.170 -0.011 0.000 0.286 391 I C -0.604 175.427 176.117 -0.144 0.000 1.025 391 I CA -0.086 61.120 61.300 -0.157 0.000 1.197 391 I CB 0.709 38.637 38.000 -0.121 0.000 1.358 391 I HN 0.514 nan 8.210 nan 0.000 0.467 392 L N 8.783 129.922 121.223 -0.139 0.000 2.435 392 L HA 0.353 4.687 4.340 -0.011 0.000 0.253 392 L C -2.314 174.610 176.870 0.091 0.000 1.087 392 L CA -1.507 53.276 54.840 -0.096 0.000 0.950 392 L CB 1.152 42.982 42.059 -0.381 0.000 1.304 392 L HN 0.296 nan 8.230 nan 0.000 0.453 393 P HA 0.059 nan 4.420 nan 0.000 0.287 393 P C -0.955 176.472 177.300 0.212 0.000 1.307 393 P CA -0.226 62.996 63.100 0.204 0.000 0.777 393 P CB 0.557 32.340 31.700 0.139 0.000 0.883 394 Y N 2.950 123.327 120.300 0.128 0.000 2.667 394 Y HA 0.290 4.833 4.550 -0.011 0.000 0.340 394 Y C 0.680 176.739 175.900 0.265 0.000 1.303 394 Y CA 0.501 58.664 58.100 0.105 0.000 1.769 394 Y CB -0.147 38.141 38.460 -0.287 0.000 1.804 394 Y HN 0.350 nan 8.280 nan 0.000 0.451 395 D N 1.139 121.797 120.400 0.430 0.000 2.521 395 D HA -0.013 4.621 4.640 -0.011 0.000 0.195 395 D C 0.386 176.791 176.300 0.176 0.000 1.286 395 D CA -0.189 54.012 54.000 0.335 0.000 0.854 395 D CB 1.313 42.275 40.800 0.270 0.000 1.723 395 D HN 0.291 nan 8.370 nan 0.000 0.550 396 Q N 2.597 122.385 119.800 -0.021 0.000 2.170 396 Q HA -0.144 4.189 4.340 -0.011 0.000 0.203 396 Q C 0.914 176.976 176.000 0.103 0.000 0.976 396 Q CA 1.790 57.541 55.803 -0.086 0.000 0.858 396 Q CB -0.147 28.391 28.738 -0.333 0.000 0.907 396 Q HN 0.590 nan 8.270 nan 0.000 0.433 397 Y N -0.314 120.088 120.300 0.169 0.000 2.352 397 Y HA -0.045 4.498 4.550 -0.011 0.000 0.292 397 Y C 1.311 177.334 175.900 0.206 0.000 1.136 397 Y CA 0.659 58.888 58.100 0.216 0.000 1.227 397 Y CB -0.076 38.462 38.460 0.129 0.000 0.991 397 Y HN 0.094 nan 8.280 nan 0.000 0.545 398 L N 0.821 122.223 121.223 0.299 0.000 2.672 398 L HA -0.052 4.281 4.340 -0.011 0.000 0.236 398 L C 1.654 178.588 176.870 0.107 0.000 1.186 398 L CA -0.255 54.669 54.840 0.140 0.000 0.977 398 L CB -0.594 41.542 42.059 0.129 0.000 1.203 398 L HN 0.520 nan 8.230 nan 0.000 0.448 399 W N -0.040 121.279 121.300 0.030 0.000 2.468 399 W HA -0.106 4.547 4.660 -0.012 0.000 0.262 399 W C 1.120 177.643 176.519 0.006 0.000 1.241 399 W CA 0.123 57.474 57.345 0.010 0.000 1.232 399 W CB -0.613 28.846 29.460 -0.001 0.000 1.124 399 W HN 0.112 nan 8.180 nan 0.000 0.597 400 R N 0.780 120.872 120.500 -0.680 0.000 2.393 400 R HA 0.089 4.422 4.340 -0.011 0.000 0.244 400 R C 1.863 177.975 176.300 -0.313 0.000 0.920 400 R CA -0.099 55.602 56.100 -0.665 0.000 1.076 400 R CB -0.856 28.878 30.300 -0.943 0.000 1.119 400 R HN 0.240 nan 8.270 nan 0.000 0.524 401 L N 1.848 122.951 121.223 -0.199 0.000 2.056 401 L HA 0.019 4.352 4.340 -0.011 0.000 0.207 401 L C -1.017 175.804 176.870 -0.082 0.000 1.078 401 L CA 1.954 56.721 54.840 -0.121 0.000 0.749 401 L CB -0.908 41.100 42.059 -0.085 0.000 0.901 401 L HN 0.009 nan 8.230 nan 0.000 0.433 402 P HA -0.132 nan 4.420 nan 0.000 0.216 402 P C 1.540 178.795 177.300 -0.075 0.000 1.153 402 P CA 1.950 65.005 63.100 -0.076 0.000 0.848 402 P CB -0.162 31.515 31.700 -0.039 0.000 0.787 403 A N -1.561 121.211 122.820 -0.080 0.000 1.933 403 A HA -0.228 4.085 4.320 -0.011 0.000 0.218 403 A C 2.271 179.790 177.584 -0.109 0.000 1.175 403 A CA 1.429 53.410 52.037 -0.092 0.000 0.628 403 A CB -1.862 17.067 19.000 -0.119 0.000 0.814 403 A HN 0.179 nan 8.150 nan 0.000 0.444 404 Y N 0.426 120.595 120.300 -0.218 0.000 2.163 404 Y HA -0.075 4.468 4.550 -0.011 0.000 0.288 404 Y C 1.892 177.662 175.900 -0.218 0.000 1.136 404 Y CA 1.766 59.727 58.100 -0.231 0.000 1.147 404 Y CB -0.182 38.124 38.460 -0.257 0.000 0.987 404 Y HN 0.192 nan 8.280 nan 0.000 0.509 405 L N 0.105 121.274 121.223 -0.090 0.000 2.275 405 L HA -0.203 4.130 4.340 -0.011 0.000 0.215 405 L C 2.396 179.150 176.870 -0.193 0.000 1.119 405 L CA 0.985 55.711 54.840 -0.190 0.000 0.790 405 L CB -0.552 41.338 42.059 -0.282 0.000 0.919 405 L HN 0.372 nan 8.230 nan 0.000 0.443 406 Q N -0.157 119.545 119.800 -0.163 0.000 2.050 406 Q HA -0.286 4.047 4.340 -0.011 0.000 0.202 406 Q C 2.228 178.128 176.000 -0.166 0.000 0.980 406 Q CA 1.917 57.647 55.803 -0.122 0.000 0.840 406 Q CB -0.055 28.628 28.738 -0.092 0.000 0.898 406 Q HN 0.521 nan 8.270 nan 0.000 0.424 407 Q N 0.321 119.968 119.800 -0.254 0.000 2.016 407 Q HA -0.197 4.136 4.340 -0.011 0.000 0.200 407 Q C 2.151 177.952 176.000 -0.332 0.000 0.978 407 Q CA 1.091 56.720 55.803 -0.290 0.000 0.833 407 Q CB -0.144 28.369 28.738 -0.376 0.000 0.895 407 Q HN 0.280 nan 8.270 nan 0.000 0.427 408 L N 1.438 122.380 121.223 -0.467 0.000 1.997 408 L HA -0.249 4.084 4.340 -0.011 0.000 0.216 408 L C 1.997 178.731 176.870 -0.227 0.000 1.074 408 L CA 2.487 57.051 54.840 -0.460 0.000 0.763 408 L CB -0.846 40.964 42.059 -0.416 0.000 0.890 408 L HN 0.389 nan 8.230 nan 0.000 0.434 409 D N -1.249 119.069 120.400 -0.136 0.000 2.106 409 D HA -0.132 4.502 4.640 -0.011 0.000 0.203 409 D C 2.175 178.470 176.300 -0.009 0.000 0.977 409 D CA 1.546 55.530 54.000 -0.026 0.000 0.844 409 D CB 0.038 40.837 40.800 -0.002 0.000 1.002 409 D HN 0.374 nan 8.370 nan 0.000 0.461 410 M N 0.370 119.947 119.600 -0.037 0.000 2.117 410 M HA -0.118 4.356 4.480 -0.011 0.000 0.262 410 M C 2.204 178.478 176.300 -0.045 0.000 1.065 410 M CA 1.248 56.531 55.300 -0.028 0.000 1.114 410 M CB -0.236 32.340 32.600 -0.040 0.000 1.361 410 M HN 0.020 nan 8.290 nan 0.000 0.408 411 E N -0.387 119.767 120.200 -0.076 0.000 2.274 411 E HA -0.094 4.250 4.350 -0.011 0.000 0.194 411 E C 1.762 178.337 176.600 -0.042 0.000 0.996 411 E CA 0.786 57.142 56.400 -0.073 0.000 0.840 411 E CB 0.299 29.937 29.700 -0.104 0.000 0.772 411 E HN 0.345 nan 8.360 nan 0.000 0.491 412 S N 0.535 116.218 115.700 -0.029 0.000 2.356 412 S HA 0.023 4.487 4.470 -0.011 0.000 0.219 412 S C 1.249 175.861 174.600 0.020 0.000 1.036 412 S CA 0.581 58.784 58.200 0.005 0.000 0.965 412 S CB 0.097 63.318 63.200 0.035 0.000 0.864 412 S HN 0.256 nan 8.310 nan 0.000 0.471 413 N N 0.867 119.609 118.700 0.069 0.000 2.203 413 N HA 0.185 4.918 4.740 -0.011 0.000 0.207 413 N C 0.452 176.012 175.510 0.084 0.000 1.130 413 N CA 0.024 53.172 53.050 0.163 0.000 0.861 413 N CB 0.506 39.211 38.487 0.365 0.000 1.005 413 N HN 0.297 nan 8.380 nan 0.000 0.507 414 G N 0.972 109.777 108.800 0.008 0.000 3.458 414 G HA2 0.095 4.048 3.960 -0.011 0.000 0.256 414 G HA3 0.095 4.048 3.960 -0.011 0.000 0.256 414 G C 0.176 175.007 174.900 -0.116 0.000 0.938 414 G CA -0.132 44.932 45.100 -0.060 0.000 1.890 414 G HN -0.101 nan 8.290 nan 0.000 0.639 415 K N 0.652 120.999 120.400 -0.087 0.000 2.385 415 K HA 0.354 4.668 4.320 -0.011 0.000 0.248 415 K C -0.669 175.905 176.600 -0.044 0.000 0.955 415 K CA -1.021 55.206 56.287 -0.100 0.000 0.816 415 K CB 1.933 34.449 32.500 0.028 0.000 1.250 415 K HN 0.286 nan 8.250 nan 0.000 0.434 416 Y N -1.999 118.298 120.300 -0.004 0.000 2.707 416 Y HA 0.328 4.871 4.550 -0.011 0.000 0.249 416 Y C -0.054 175.835 175.900 -0.019 0.000 1.166 416 Y CA -1.583 56.495 58.100 -0.036 0.000 1.184 416 Y CB -0.666 37.767 38.460 -0.045 0.000 1.240 416 Y HN 0.111 nan 8.280 nan 0.000 0.547 417 V N -0.909 119.176 119.914 0.286 0.000 2.709 417 V HA 0.821 4.935 4.120 -0.011 0.000 0.308 417 V C 0.196 176.364 176.094 0.124 0.000 1.062 417 V CA -0.518 61.888 62.300 0.177 0.000 0.901 417 V CB 1.220 33.160 31.823 0.195 0.000 1.003 417 V HN 0.347 nan 8.190 nan 0.000 0.425 418 T N 1.066 115.670 114.554 0.082 0.000 2.816 418 T HA 0.414 4.758 4.350 -0.011 0.000 0.282 418 T C 0.999 175.749 174.700 0.084 0.000 0.993 418 T CA -0.317 61.826 62.100 0.072 0.000 0.994 418 T CB 1.046 69.936 68.868 0.037 0.000 1.025 418 T HN 0.715 nan 8.240 nan 0.000 0.529 419 R N 0.362 120.914 120.500 0.087 0.000 2.152 419 R HA -0.051 4.283 4.340 -0.011 0.000 0.232 419 R C 2.550 178.899 176.300 0.081 0.000 1.117 419 R CA 1.399 57.563 56.100 0.107 0.000 0.981 419 R CB -0.402 29.971 30.300 0.120 0.000 0.870 419 R HN 0.837 nan 8.270 nan 0.000 0.451 420 S N -0.744 114.990 115.700 0.056 0.000 2.607 420 S HA 0.098 4.562 4.470 -0.011 0.000 0.224 420 S C 1.333 175.950 174.600 0.029 0.000 0.969 420 S CA 0.344 58.568 58.200 0.039 0.000 0.927 420 S CB 0.549 63.763 63.200 0.024 0.000 0.772 420 S HN 0.498 nan 8.310 nan 0.000 0.533 421 G N 1.040 109.862 108.800 0.036 0.000 2.137 421 G HA2 -0.196 3.757 3.960 -0.011 0.000 0.237 421 G HA3 -0.196 3.757 3.960 -0.011 0.000 0.237 421 G C -0.162 174.743 174.900 0.009 0.000 1.002 421 G CA -0.058 45.056 45.100 0.023 0.000 0.702 421 G HN 0.431 nan 8.290 nan 0.000 0.515 422 K N 0.392 120.798 120.400 0.010 0.000 2.156 422 K HA 0.589 4.902 4.320 -0.011 0.000 0.250 422 K C 0.398 176.993 176.600 -0.008 0.000 0.955 422 K CA -0.499 55.782 56.287 -0.009 0.000 0.855 422 K CB 1.226 33.716 32.500 -0.015 0.000 1.101 422 K HN 0.079 nan 8.250 nan 0.000 0.434 423 T N 1.512 116.045 114.554 -0.036 0.000 2.901 423 T HA 0.110 4.454 4.350 -0.011 0.000 0.301 423 T C 0.429 175.101 174.700 -0.046 0.000 1.012 423 T CA -0.520 61.547 62.100 -0.054 0.000 1.135 423 T CB 0.368 69.174 68.868 -0.104 0.000 0.936 423 T HN 0.372 nan 8.240 nan 0.000 0.539 424 V N 2.404 122.300 119.914 -0.029 0.000 2.715 424 V HA 0.306 4.420 4.120 -0.011 0.000 0.299 424 V C 0.774 176.815 176.094 -0.088 0.000 1.054 424 V CA -0.110 62.157 62.300 -0.056 0.000 1.077 424 V CB 1.254 33.044 31.823 -0.055 0.000 0.972 424 V HN 0.850 nan 8.190 nan 0.000 0.484 425 S N 1.885 117.516 115.700 -0.115 0.000 2.539 425 S HA 0.201 4.665 4.470 -0.011 0.000 0.221 425 S C 0.701 175.225 174.600 -0.127 0.000 0.987 425 S CA 0.331 58.463 58.200 -0.114 0.000 0.929 425 S CB -0.104 63.026 63.200 -0.117 0.000 0.832 425 S HN 1.168 nan 8.310 nan 0.000 0.492 426 T N -0.766 113.689 114.554 -0.166 0.000 2.916 426 T HA 0.683 5.026 4.350 -0.011 0.000 0.292 426 T C -0.288 174.254 174.700 -0.265 0.000 1.064 426 T CA -0.893 61.104 62.100 -0.172 0.000 1.011 426 T CB 0.815 69.577 68.868 -0.178 0.000 1.152 426 T HN 0.005 nan 8.240 nan 0.000 0.510 427 L N 2.239 123.299 121.223 -0.273 0.000 2.439 427 L HA 0.382 4.715 4.340 -0.011 0.000 0.269 427 L C 1.526 177.907 176.870 -0.815 0.000 1.179 427 L CA -0.370 54.254 54.840 -0.360 0.000 0.828 427 L CB 0.883 42.805 42.059 -0.228 0.000 1.106 427 L HN 1.118 nan 8.230 nan 0.000 0.467 428 T N -1.044 113.013 114.554 -0.828 0.000 2.747 428 T HA 0.342 4.685 4.350 -0.011 0.000 0.236 428 T C 0.629 174.714 174.700 -1.025 0.000 1.046 428 T CA -0.110 61.112 62.100 -1.464 0.000 1.054 428 T CB -0.131 68.338 68.868 -0.665 0.000 2.287 428 T HN 0.609 nan 8.240 nan 0.000 0.523 429 G N 3.527 112.095 108.800 -0.387 0.000 2.178 429 G HA2 0.431 4.384 3.960 -0.011 0.000 0.244 429 G HA3 0.431 4.384 3.960 -0.011 0.000 0.244 429 G C -2.369 172.538 174.900 0.012 0.000 1.213 429 G CA -0.593 44.542 45.100 0.059 0.000 0.912 429 G HN 0.573 nan 8.290 nan 0.000 0.474 430 P HA 0.300 nan 4.420 nan 0.000 0.277 430 P C -0.170 177.185 177.300 0.092 0.000 1.271 430 P CA -0.801 62.361 63.100 0.104 0.000 0.795 430 P CB 0.883 32.693 31.700 0.183 0.000 1.101 431 I N 0.749 121.380 120.570 0.102 0.000 2.352 431 I HA 0.122 4.285 4.170 -0.011 0.000 0.290 431 I C 0.343 176.576 176.117 0.194 0.000 1.036 431 I CA 0.042 61.401 61.300 0.099 0.000 1.336 431 I CB -0.164 37.868 38.000 0.053 0.000 1.407 431 I HN 0.071 nan 8.210 nan 0.000 0.497 432 I N 7.847 128.509 120.570 0.153 0.000 2.385 432 I HA 0.420 4.584 4.170 -0.011 0.000 0.294 432 I C -0.128 176.111 176.117 0.202 0.000 0.988 432 I CA -0.390 61.008 61.300 0.163 0.000 1.265 432 I CB 0.721 38.756 38.000 0.060 0.000 1.388 432 I HN 0.483 nan 8.210 nan 0.000 0.480 433 F N 2.650 122.563 119.950 -0.062 0.000 2.745 433 F HA 0.931 5.451 4.527 -0.012 0.000 0.316 433 F C -0.304 175.415 175.800 -0.135 0.000 1.155 433 F CA -0.888 57.033 58.000 -0.133 0.000 0.937 433 F CB 1.632 40.501 39.000 -0.218 0.000 1.361 433 F HN 0.720 nan 8.300 nan 0.000 0.472 434 G N 0.729 109.392 108.800 -0.228 0.000 2.333 434 G HA2 0.449 4.403 3.960 -0.011 0.000 0.330 434 G HA3 0.449 4.403 3.960 -0.011 0.000 0.330 434 G C -2.328 172.659 174.900 0.144 0.000 1.465 434 G CA -0.910 44.086 45.100 -0.173 0.000 0.996 434 G HN 0.800 nan 8.290 nan 0.000 0.655 435 E N -1.026 119.393 120.200 0.365 0.000 2.429 435 E HA 0.705 5.048 4.350 -0.011 0.000 0.276 435 E C 0.201 176.900 176.600 0.165 0.000 0.953 435 E CA -0.303 56.277 56.400 0.300 0.000 0.787 435 E CB 2.144 32.092 29.700 0.412 0.000 1.307 435 E HN 1.271 nan 8.360 nan 0.000 0.458 436 A N 0.701 123.585 122.820 0.107 0.000 2.477 436 A HA 0.510 4.823 4.320 -0.011 0.000 0.246 436 A C 0.676 178.142 177.584 -0.196 0.000 1.078 436 A CA 0.547 52.586 52.037 0.002 0.000 0.770 436 A CB -0.023 19.020 19.000 0.072 0.000 1.011 436 A HN 0.486 nan 8.150 nan 0.000 0.494 437 G N 0.847 109.312 108.800 -0.558 0.000 2.491 437 G HA2 0.354 4.307 3.960 -0.011 0.000 0.242 437 G HA3 0.354 4.307 3.960 -0.011 0.000 0.242 437 G C 1.056 175.712 174.900 -0.408 0.000 1.266 437 G CA 0.398 44.754 45.100 -1.240 0.000 0.844 437 G HN 1.161 nan 8.290 nan 0.000 0.571 438 T N -0.659 113.846 114.554 -0.082 0.000 2.985 438 T HA -0.114 4.229 4.350 -0.011 0.000 0.266 438 T C 1.913 176.497 174.700 -0.193 0.000 1.076 438 T CA 0.850 62.885 62.100 -0.108 0.000 1.135 438 T CB -0.223 68.751 68.868 0.178 0.000 0.890 438 T HN 0.532 nan 8.240 nan 0.000 0.480 439 N N 2.241 120.854 118.700 -0.145 0.000 2.171 439 N HA -0.226 4.507 4.740 -0.011 0.000 0.200 439 N C 2.095 177.468 175.510 -0.229 0.000 0.991 439 N CA 2.096 55.071 53.050 -0.126 0.000 0.906 439 N CB -1.003 37.424 38.487 -0.100 0.000 1.060 439 N HN 0.656 nan 8.380 nan 0.000 0.510 440 G N 0.877 109.418 108.800 -0.431 0.000 2.450 440 G HA2 -0.265 3.688 3.960 -0.011 0.000 0.220 440 G HA3 -0.265 3.688 3.960 -0.011 0.000 0.220 440 G C 1.478 175.659 174.900 -1.198 0.000 1.130 440 G CA 0.633 45.210 45.100 -0.871 0.000 0.760 440 G HN 0.470 nan 8.290 nan 0.000 0.557 441 Q N -0.569 118.481 119.800 -1.250 0.000 2.170 441 Q HA -0.069 4.265 4.340 -0.011 0.000 0.203 441 Q C 1.609 177.270 176.000 -0.565 0.000 0.976 441 Q CA 0.990 56.154 55.803 -1.066 0.000 0.858 441 Q CB -0.061 28.261 28.738 -0.693 0.000 0.907 441 Q HN 0.641 nan 8.270 nan 0.000 0.433 442 H N -2.014 116.876 119.070 -0.299 0.000 2.520 442 H HA 0.358 4.907 4.556 -0.011 0.000 0.284 442 H C 0.770 176.041 175.328 -0.095 0.000 1.037 442 H CA 0.487 56.455 56.048 -0.134 0.000 1.168 442 H CB 0.821 30.520 29.762 -0.105 0.000 1.497 442 H HN 0.242 nan 8.280 nan 0.000 0.547 443 A N 0.562 123.331 122.820 -0.085 0.000 2.008 443 A HA 0.154 4.467 4.320 -0.011 0.000 0.201 443 A C 0.917 178.599 177.584 0.163 0.000 1.794 443 A CA 0.082 52.137 52.037 0.030 0.000 0.952 443 A CB -0.062 18.964 19.000 0.043 0.000 1.147 443 A HN 0.230 nan 8.150 nan 0.000 0.589 444 F N -4.075 116.025 119.950 0.250 0.000 2.899 444 F HA 0.485 5.005 4.527 -0.011 0.000 0.337 444 F C 0.908 176.938 175.800 0.384 0.000 1.129 444 F CA -0.768 57.401 58.000 0.282 0.000 1.128 444 F CB -0.075 39.101 39.000 0.292 0.000 1.154 444 F HN 0.047 nan 8.300 nan 0.000 0.531 445 Y N 1.785 122.083 120.300 -0.003 0.000 2.421 445 Y HA -0.120 4.423 4.550 -0.011 0.000 0.292 445 Y C 2.661 178.716 175.900 0.257 0.000 1.136 445 Y CA 1.376 59.558 58.100 0.137 0.000 1.255 445 Y CB -0.714 37.815 38.460 0.115 0.000 0.991 445 Y HN 0.348 nan 8.280 nan 0.000 0.552 446 Q N 0.585 120.600 119.800 0.358 0.000 2.096 446 Q HA -0.201 4.132 4.340 -0.011 0.000 0.204 446 Q C 2.131 178.261 176.000 0.216 0.000 0.982 446 Q CA 1.855 57.814 55.803 0.259 0.000 0.850 446 Q CB -0.721 28.119 28.738 0.170 0.000 0.901 446 Q HN 0.592 nan 8.270 nan 0.000 0.422 447 L N -0.651 120.707 121.223 0.224 0.000 2.109 447 L HA 0.021 4.355 4.340 -0.011 0.000 0.207 447 L C 2.098 179.057 176.870 0.149 0.000 1.086 447 L CA 0.961 55.900 54.840 0.165 0.000 0.760 447 L CB -0.116 42.041 42.059 0.163 0.000 0.910 447 L HN 0.330 nan 8.230 nan 0.000 0.437 448 I N -1.241 119.431 120.570 0.169 0.000 2.394 448 I HA -0.258 3.905 4.170 -0.011 0.000 0.251 448 I C 2.222 178.331 176.117 -0.013 0.000 1.136 448 I CA 0.763 62.091 61.300 0.046 0.000 1.425 448 I CB -0.540 37.413 38.000 -0.078 0.000 1.079 448 I HN 0.361 nan 8.210 nan 0.000 0.425 449 H N 0.467 119.623 119.070 0.143 0.000 2.399 449 H HA 0.124 4.674 4.556 -0.011 0.000 0.300 449 H C 1.173 176.520 175.328 0.032 0.000 1.048 449 H CA 1.021 57.169 56.048 0.166 0.000 1.370 449 H CB 0.363 30.311 29.762 0.311 0.000 1.428 449 H HN 0.403 nan 8.280 nan 0.000 0.534 450 Q N 0.296 120.152 119.800 0.093 0.000 2.110 450 Q HA 0.253 4.586 4.340 -0.011 0.000 0.232 450 Q C 0.443 176.447 176.000 0.006 0.000 0.810 450 Q CA -0.393 55.384 55.803 -0.044 0.000 1.083 450 Q CB 1.864 30.494 28.738 -0.180 0.000 1.193 450 Q HN 0.191 nan 8.270 nan 0.000 0.471 451 G N 0.069 108.898 108.800 0.047 0.000 2.522 451 G HA2 0.215 4.168 3.960 -0.011 0.000 0.304 451 G HA3 0.215 4.168 3.960 -0.011 0.000 0.304 451 G C 0.733 175.657 174.900 0.040 0.000 1.210 451 G CA -0.252 44.875 45.100 0.045 0.000 0.960 451 G HN 0.171 nan 8.290 nan 0.000 0.497 452 T N -2.285 112.290 114.554 0.034 0.000 3.188 452 T HA 0.185 4.528 4.350 -0.011 0.000 0.250 452 T C 0.285 175.013 174.700 0.046 0.000 1.077 452 T CA -0.386 61.736 62.100 0.037 0.000 0.967 452 T CB -0.514 68.369 68.868 0.026 0.000 1.006 452 T HN 0.365 nan 8.240 nan 0.000 0.552 453 N N 0.904 119.633 118.700 0.049 0.000 2.284 453 N HA 0.565 5.299 4.740 -0.011 0.000 0.300 453 N C -1.628 173.924 175.510 0.071 0.000 1.047 453 N CA -0.889 52.195 53.050 0.056 0.000 0.821 453 N CB 1.924 40.432 38.487 0.035 0.000 1.337 453 N HN 0.063 nan 8.380 nan 0.000 0.482 454 L N 2.769 124.045 121.223 0.087 0.000 2.278 454 L HA 0.465 4.798 4.340 -0.011 0.000 0.287 454 L C -1.196 175.702 176.870 0.047 0.000 1.072 454 L CA 0.063 54.949 54.840 0.078 0.000 0.819 454 L CB -0.032 42.103 42.059 0.127 0.000 1.176 454 L HN 0.571 nan 8.230 nan 0.000 0.435 455 I N 7.905 128.485 120.570 0.017 0.000 2.464 455 I HA 0.326 4.489 4.170 -0.011 0.000 0.277 455 I C -2.075 173.988 176.117 -0.090 0.000 1.040 455 I CA -1.912 59.405 61.300 0.028 0.000 1.153 455 I CB 1.094 39.171 38.000 0.128 0.000 1.274 455 I HN 0.480 nan 8.210 nan 0.000 0.469 456 P HA 0.023 nan 4.420 nan 0.000 0.264 456 P C -0.719 176.369 177.300 -0.352 0.000 1.193 456 P CA -0.054 62.886 63.100 -0.267 0.000 0.763 456 P CB 0.427 32.015 31.700 -0.186 0.000 0.810 457 C N 3.070 122.220 119.300 -0.250 0.000 2.507 457 C HA 0.404 4.857 4.460 -0.011 0.000 0.319 457 C C -0.083 174.885 174.990 -0.037 0.000 1.208 457 C CA -0.198 58.688 59.018 -0.219 0.000 1.619 457 C CB 1.300 29.055 27.740 0.027 0.000 2.230 457 C HN 0.486 nan 8.230 nan 0.000 0.492 458 D N 1.757 122.110 120.400 -0.079 0.000 2.460 458 D HA 0.405 5.038 4.640 -0.011 0.000 0.232 458 D C -0.890 175.521 176.300 0.185 0.000 1.079 458 D CA -0.062 54.043 54.000 0.174 0.000 0.864 458 D CB 0.496 41.487 40.800 0.319 0.000 1.048 458 D HN 0.279 nan 8.370 nan 0.000 0.523 459 F N 2.645 122.677 119.950 0.137 0.000 2.375 459 F HA 0.387 4.908 4.527 -0.011 0.000 0.362 459 F C 0.589 176.671 175.800 0.469 0.000 1.129 459 F CA -0.570 57.573 58.000 0.239 0.000 1.154 459 F CB 0.495 39.407 39.000 -0.147 0.000 1.205 459 F HN 0.134 nan 8.300 nan 0.000 0.513 460 I N 3.101 124.040 120.570 0.614 0.000 2.354 460 I HA 0.705 4.868 4.170 -0.011 0.000 0.292 460 I C 0.434 176.713 176.117 0.270 0.000 0.989 460 I CA -0.322 61.255 61.300 0.461 0.000 1.188 460 I CB 1.466 39.661 38.000 0.325 0.000 1.342 460 I HN 0.637 nan 8.210 nan 0.000 0.457 461 G N 3.823 112.594 108.800 -0.048 0.000 2.690 461 G HA2 0.799 4.752 3.960 -0.011 0.000 0.291 461 G HA3 0.799 4.752 3.960 -0.011 0.000 0.291 461 G C -1.903 172.858 174.900 -0.231 0.000 1.403 461 G CA -0.705 44.042 45.100 -0.589 0.000 0.864 461 G HN 0.742 nan 8.290 nan 0.000 0.480 462 A N 0.069 122.807 122.820 -0.138 0.000 2.350 462 A HA 0.717 5.030 4.320 -0.011 0.000 0.324 462 A C 0.862 178.528 177.584 0.136 0.000 1.118 462 A CA -0.755 51.298 52.037 0.027 0.000 0.783 462 A CB 1.012 20.071 19.000 0.098 0.000 1.236 462 A HN 0.595 nan 8.150 nan 0.000 0.457 463 I N 0.087 120.737 120.570 0.133 0.000 2.353 463 I HA -0.135 4.029 4.170 -0.011 0.000 0.248 463 I C 0.837 177.136 176.117 0.303 0.000 1.119 463 I CA 1.170 62.609 61.300 0.231 0.000 1.417 463 I CB 0.057 38.159 38.000 0.170 0.000 1.078 463 I HN 0.638 nan 8.210 nan 0.000 0.421 464 Q N 0.521 120.392 119.800 0.119 0.000 2.316 464 Q HA 0.334 4.667 4.340 -0.011 0.000 0.264 464 Q C -0.479 175.402 176.000 -0.199 0.000 0.987 464 Q CA -0.308 55.477 55.803 -0.030 0.000 0.852 464 Q CB 2.497 31.235 28.738 0.001 0.000 1.287 464 Q HN 0.084 nan 8.270 nan 0.000 0.448 465 S N 1.098 116.497 115.700 -0.502 0.000 2.610 465 S HA 0.094 4.557 4.470 -0.011 0.000 0.273 465 S C 0.673 175.192 174.600 -0.136 0.000 1.274 465 S CA -0.375 57.584 58.200 -0.401 0.000 1.023 465 S CB 0.815 63.673 63.200 -0.570 0.000 0.962 465 S HN 0.569 nan 8.310 nan 0.000 0.523 466 Q N 1.696 121.482 119.800 -0.024 0.000 2.425 466 Q HA 0.224 4.557 4.340 -0.011 0.000 0.204 466 Q C -0.477 175.500 176.000 -0.040 0.000 0.933 466 Q CA 0.503 56.296 55.803 -0.017 0.000 0.939 466 Q CB -0.105 28.641 28.738 0.014 0.000 1.044 466 Q HN 0.517 nan 8.270 nan 0.000 0.513 467 N N 1.386 120.057 118.700 -0.048 0.000 2.491 467 N HA 0.133 4.866 4.740 -0.011 0.000 0.274 467 N C -0.774 174.689 175.510 -0.078 0.000 1.023 467 N CA -0.328 52.681 53.050 -0.068 0.000 0.902 467 N CB 1.392 39.827 38.487 -0.086 0.000 1.267 467 N HN -0.182 nan 8.380 nan 0.000 0.503 468 K N 2.711 123.077 120.400 -0.057 0.000 2.180 468 K HA 0.322 4.635 4.320 -0.011 0.000 0.250 468 K C -0.119 176.467 176.600 -0.023 0.000 1.135 468 K CA -0.315 55.956 56.287 -0.027 0.000 1.037 468 K CB 0.353 32.844 32.500 -0.015 0.000 1.624 468 K HN 0.453 nan 8.250 nan 0.000 0.382 469 I N 1.638 122.190 120.570 -0.030 0.000 2.359 469 I HA 0.168 4.332 4.170 -0.011 0.000 0.284 469 I C 1.412 177.597 176.117 0.113 0.000 1.018 469 I CA -0.126 61.148 61.300 -0.042 0.000 1.173 469 I CB 0.238 38.087 38.000 -0.252 0.000 1.326 469 I HN 0.705 nan 8.210 nan 0.000 0.462 470 G N 7.381 116.249 108.800 0.113 0.000 2.685 470 G HA2 -0.306 3.647 3.960 -0.011 0.000 0.329 470 G HA3 -0.306 3.647 3.960 -0.011 0.000 0.329 470 G C 0.429 175.413 174.900 0.140 0.000 1.271 470 G CA 0.596 45.779 45.100 0.139 0.000 1.003 470 G HN 0.569 nan 8.290 nan 0.000 0.549 471 D N -0.045 120.434 120.400 0.132 0.000 2.462 471 D HA 0.207 4.840 4.640 -0.011 0.000 0.221 471 D C 1.611 177.978 176.300 0.111 0.000 1.173 471 D CA -0.059 54.001 54.000 0.100 0.000 0.831 471 D CB -0.188 40.638 40.800 0.043 0.000 1.001 471 D HN 0.555 nan 8.370 nan 0.000 0.499 472 H N 0.081 119.198 119.070 0.080 0.000 2.319 472 H HA -0.140 4.409 4.556 -0.011 0.000 0.299 472 H C 1.829 177.270 175.328 0.188 0.000 1.092 472 H CA 1.293 57.392 56.048 0.084 0.000 1.302 472 H CB 0.265 30.038 29.762 0.018 0.000 1.373 472 H HN 0.418 nan 8.280 nan 0.000 0.497 473 H N 1.372 120.583 119.070 0.236 0.000 2.389 473 H HA -0.094 4.455 4.556 -0.011 0.000 0.299 473 H C 2.321 177.794 175.328 0.242 0.000 1.081 473 H CA 1.493 57.703 56.048 0.270 0.000 1.345 473 H CB 0.403 30.284 29.762 0.198 0.000 1.393 473 H HN 0.438 nan 8.280 nan 0.000 0.520 474 K N 0.333 120.839 120.400 0.178 0.000 2.103 474 K HA -0.050 4.263 4.320 -0.011 0.000 0.204 474 K C 2.049 178.701 176.600 0.087 0.000 1.052 474 K CA 1.359 57.707 56.287 0.102 0.000 0.945 474 K CB -0.202 32.366 32.500 0.114 0.000 0.722 474 K HN 0.225 nan 8.250 nan 0.000 0.443 475 I N 0.669 121.301 120.570 0.103 0.000 2.315 475 I HA -0.196 3.968 4.170 -0.011 0.000 0.248 475 I C 2.366 178.577 176.117 0.157 0.000 1.117 475 I CA 0.881 62.235 61.300 0.090 0.000 1.404 475 I CB -0.256 37.762 38.000 0.030 0.000 1.071 475 I HN 0.113 nan 8.210 nan 0.000 0.419 476 F N 1.466 121.417 119.950 0.001 0.000 2.084 476 F HA -0.198 4.322 4.527 -0.011 0.000 0.296 476 F C 2.388 178.184 175.800 -0.005 0.000 1.111 476 F CA 1.666 59.680 58.000 0.023 0.000 1.224 476 F CB -0.295 38.719 39.000 0.023 0.000 0.991 476 F HN -0.061 nan 8.300 nan 0.000 0.471 477 M N 0.398 119.827 119.600 -0.285 0.000 2.476 477 M HA -0.067 4.406 4.480 -0.011 0.000 0.262 477 M C 2.428 178.548 176.300 -0.299 0.000 1.079 477 M CA 1.292 56.271 55.300 -0.535 0.000 1.104 477 M CB -1.701 30.579 32.600 -0.534 0.000 1.409 477 M HN 0.400 nan 8.290 nan 0.000 0.467 478 S N 0.555 116.234 115.700 -0.036 0.000 2.399 478 S HA -0.104 4.359 4.470 -0.011 0.000 0.231 478 S C 1.639 176.256 174.600 0.028 0.000 1.022 478 S CA 1.076 59.327 58.200 0.084 0.000 0.983 478 S CB -0.455 62.796 63.200 0.085 0.000 0.803 478 S HN 0.487 nan 8.310 nan 0.000 0.480 479 N N 0.648 119.350 118.700 0.004 0.000 2.171 479 N HA -0.008 4.726 4.740 -0.011 0.000 0.184 479 N C 1.447 176.896 175.510 -0.103 0.000 1.021 479 N CA 1.266 54.348 53.050 0.054 0.000 0.854 479 N CB -0.483 38.144 38.487 0.233 0.000 0.994 479 N HN 0.505 nan 8.380 nan 0.000 0.426 480 F N 1.585 121.185 119.950 -0.583 0.000 2.095 480 F HA -0.159 4.361 4.527 -0.011 0.000 0.298 480 F C 1.750 177.148 175.800 -0.670 0.000 1.104 480 F CA 1.424 58.810 58.000 -1.024 0.000 1.232 480 F CB -0.368 37.894 39.000 -1.229 0.000 0.987 480 F HN -0.138 nan 8.300 nan 0.000 0.475 481 F N 0.187 119.959 119.950 -0.298 0.000 2.293 481 F HA 0.144 4.664 4.527 -0.011 0.000 0.297 481 F C 2.517 178.121 175.800 -0.325 0.000 1.089 481 F CA 0.743 58.536 58.000 -0.345 0.000 1.377 481 F CB -1.623 37.298 39.000 -0.131 0.000 1.051 481 F HN 0.055 nan 8.300 nan 0.000 0.511 482 A N -0.342 122.442 122.820 -0.061 0.000 1.897 482 A HA -0.129 4.184 4.320 -0.011 0.000 0.215 482 A C 2.228 179.739 177.584 -0.120 0.000 1.181 482 A CA 1.064 53.057 52.037 -0.073 0.000 0.620 482 A CB -0.514 18.471 19.000 -0.024 0.000 0.821 482 A HN 0.232 nan 8.150 nan 0.000 0.443 483 Q N -0.109 119.611 119.800 -0.133 0.000 2.084 483 Q HA -0.147 4.186 4.340 -0.011 0.000 0.202 483 Q C 2.407 178.233 176.000 -0.290 0.000 0.978 483 Q CA 2.261 58.048 55.803 -0.027 0.000 0.844 483 Q CB -0.979 27.917 28.738 0.262 0.000 0.898 483 Q HN 0.874 nan 8.270 nan 0.000 0.426 484 T N -1.538 112.603 114.554 -0.689 0.000 2.821 484 T HA -0.136 4.208 4.350 -0.011 0.000 0.267 484 T C 1.734 176.229 174.700 -0.342 0.000 1.046 484 T CA 1.336 63.023 62.100 -0.689 0.000 1.139 484 T CB -0.139 68.241 68.868 -0.813 0.000 0.871 484 T HN 0.348 nan 8.240 nan 0.000 0.454 485 E N 1.573 121.604 120.200 -0.281 0.000 2.077 485 E HA -0.089 4.254 4.350 -0.011 0.000 0.193 485 E C 2.469 178.976 176.600 -0.154 0.000 0.989 485 E CA 1.005 57.276 56.400 -0.215 0.000 0.800 485 E CB -0.438 29.150 29.700 -0.187 0.000 0.746 485 E HN 0.624 nan 8.360 nan 0.000 0.452 486 A N 1.266 124.022 122.820 -0.107 0.000 1.877 486 A HA -0.157 4.157 4.320 -0.011 0.000 0.216 486 A C 2.240 179.883 177.584 0.098 0.000 1.186 486 A CA 1.164 53.170 52.037 -0.051 0.000 0.620 486 A CB -0.765 18.222 19.000 -0.021 0.000 0.822 486 A HN 0.331 nan 8.150 nan 0.000 0.443 487 L N -1.493 119.818 121.223 0.148 0.000 2.127 487 L HA -0.218 4.115 4.340 -0.011 0.000 0.211 487 L C 2.780 179.680 176.870 0.051 0.000 1.089 487 L CA 1.881 56.782 54.840 0.103 0.000 0.757 487 L CB -0.316 41.694 42.059 -0.083 0.000 0.899 487 L HN 0.644 nan 8.230 nan 0.000 0.434 488 M N 0.280 119.863 119.600 -0.028 0.000 2.155 488 M HA -0.110 4.363 4.480 -0.011 0.000 0.258 488 M C 2.235 178.514 176.300 -0.036 0.000 1.092 488 M CA 1.621 56.892 55.300 -0.049 0.000 1.153 488 M CB 0.006 32.532 32.600 -0.124 0.000 1.316 488 M HN 0.184 nan 8.290 nan 0.000 0.431 489 I N -1.328 119.196 120.570 -0.077 0.000 2.439 489 I HA 0.256 4.420 4.170 -0.011 0.000 0.251 489 I C 1.379 177.483 176.117 -0.021 0.000 1.139 489 I CA 0.594 61.852 61.300 -0.070 0.000 1.438 489 I CB -1.475 36.456 38.000 -0.116 0.000 1.085 489 I HN 0.548 nan 8.210 nan 0.000 0.427 490 G N 1.746 110.542 108.800 -0.006 0.000 2.569 490 G HA2 -0.323 3.631 3.960 -0.011 0.000 0.259 490 G HA3 -0.323 3.631 3.960 -0.011 0.000 0.259 490 G C -0.214 174.668 174.900 -0.030 0.000 1.263 490 G CA 0.420 45.554 45.100 0.056 0.000 0.928 490 G HN 0.689 nan 8.290 nan 0.000 0.572 491 K N -0.208 120.235 120.400 0.071 0.000 2.616 491 K HA 0.512 4.825 4.320 -0.011 0.000 0.255 491 K C 0.256 176.918 176.600 0.104 0.000 0.995 491 K CA 0.134 56.446 56.287 0.041 0.000 0.860 491 K CB 1.122 33.617 32.500 -0.008 0.000 1.264 491 K HN 1.161 nan 8.250 nan 0.000 0.451 492 S N 2.699 118.432 115.700 0.056 0.000 2.593 492 S HA 0.289 4.753 4.470 -0.011 0.000 0.269 492 S C -1.680 172.952 174.600 0.053 0.000 1.334 492 S CA -0.943 57.289 58.200 0.053 0.000 1.015 492 S CB 0.780 63.998 63.200 0.030 0.000 0.912 492 S HN 0.443 nan 8.310 nan 0.000 0.541 493 P HA -0.006 nan 4.420 nan 0.000 0.222 493 P C 1.237 178.556 177.300 0.031 0.000 1.147 493 P CA 0.908 64.031 63.100 0.038 0.000 0.790 493 P CB -0.150 31.565 31.700 0.026 0.000 0.780 494 S N -0.167 115.548 115.700 0.024 0.000 2.371 494 S HA -0.113 4.350 4.470 -0.011 0.000 0.224 494 S C 1.879 176.487 174.600 0.014 0.000 1.029 494 S CA 1.027 59.237 58.200 0.016 0.000 0.978 494 S CB -0.598 62.609 63.200 0.011 0.000 0.833 494 S HN 0.276 nan 8.310 nan 0.000 0.466 495 E N 0.312 120.521 120.200 0.015 0.000 2.274 495 E HA -0.052 4.291 4.350 -0.011 0.000 0.194 495 E C 1.761 178.368 176.600 0.013 0.000 0.996 495 E CA 0.496 56.900 56.400 0.006 0.000 0.840 495 E CB 0.118 29.816 29.700 -0.003 0.000 0.772 495 E HN 0.230 nan 8.360 nan 0.000 0.491 496 V N 0.365 120.297 119.914 0.030 0.000 2.407 496 V HA -0.154 3.959 4.120 -0.011 0.000 0.245 496 V C 2.302 178.415 176.094 0.032 0.000 1.041 496 V CA 1.436 63.761 62.300 0.042 0.000 1.040 496 V CB -0.343 31.520 31.823 0.067 0.000 0.671 496 V HN 0.183 nan 8.190 nan 0.000 0.455 497 R N 0.360 120.876 120.500 0.027 0.000 2.083 497 R HA -0.168 4.166 4.340 -0.011 0.000 0.237 497 R C 2.540 178.849 176.300 0.015 0.000 1.137 497 R CA 1.785 57.898 56.100 0.022 0.000 0.951 497 R CB -0.158 30.153 30.300 0.018 0.000 0.851 497 R HN 0.414 nan 8.270 nan 0.000 0.434 498 R N -0.176 120.330 120.500 0.011 0.000 2.115 498 R HA -0.126 4.207 4.340 -0.011 0.000 0.230 498 R C 2.174 178.476 176.300 0.004 0.000 1.111 498 R CA 1.506 57.610 56.100 0.005 0.000 0.976 498 R CB -0.136 30.164 30.300 0.001 0.000 0.870 498 R HN 0.399 nan 8.270 nan 0.000 0.445 499 E N 0.619 120.822 120.200 0.006 0.000 2.216 499 E HA -0.070 4.274 4.350 -0.011 0.000 0.192 499 E C 1.683 178.289 176.600 0.009 0.000 0.988 499 E CA 0.476 56.878 56.400 0.004 0.000 0.834 499 E CB 0.230 29.932 29.700 0.002 0.000 0.772 499 E HN 0.272 nan 8.360 nan 0.000 0.479 500 L N 0.170 121.402 121.223 0.015 0.000 2.168 500 L HA -0.010 4.323 4.340 -0.011 0.000 0.203 500 L C 2.160 179.037 176.870 0.012 0.000 1.078 500 L CA 0.773 55.623 54.840 0.017 0.000 0.780 500 L CB -0.087 41.986 42.059 0.024 0.000 0.939 500 L HN 0.094 nan 8.230 nan 0.000 0.451 501 E N 0.380 120.587 120.200 0.011 0.000 2.150 501 E HA -0.113 4.231 4.350 -0.011 0.000 0.193 501 E C 1.383 177.986 176.600 0.006 0.000 0.985 501 E CA 0.920 57.325 56.400 0.008 0.000 0.814 501 E CB -0.008 29.696 29.700 0.007 0.000 0.752 501 E HN 0.386 nan 8.360 nan 0.000 0.466 502 A N 0.004 122.827 122.820 0.004 0.000 2.734 502 A HA 0.483 4.796 4.320 -0.011 0.000 0.279 502 A C 1.010 178.595 177.584 0.002 0.000 1.386 502 A CA 0.498 52.536 52.037 0.002 0.000 0.987 502 A CB -0.034 18.966 19.000 -0.001 0.000 1.041 502 A HN 0.206 nan 8.150 nan 0.000 0.569 503 A N -2.465 120.357 122.820 0.004 0.000 2.710 503 A HA 0.517 4.830 4.320 -0.011 0.000 0.212 503 A C 1.265 178.852 177.584 0.005 0.000 1.358 503 A CA 0.911 52.950 52.037 0.004 0.000 1.048 503 A CB 0.015 19.019 19.000 0.006 0.000 1.345 503 A HN 1.745 nan 8.150 nan 0.000 0.583 504 G N -0.450 108.353 108.800 0.005 0.000 2.318 504 G HA2 -0.086 3.867 3.960 -0.011 0.000 0.172 504 G HA3 -0.086 3.867 3.960 -0.011 0.000 0.172 504 G C -0.137 174.767 174.900 0.006 0.000 1.002 504 G CA 0.191 45.294 45.100 0.005 0.000 0.697 504 G HN 0.417 nan 8.290 nan 0.000 0.483 505 E N 1.219 121.424 120.200 0.008 0.000 2.180 505 E HA 0.610 4.953 4.350 -0.011 0.000 0.283 505 E C 1.430 178.035 176.600 0.009 0.000 1.061 505 E CA -0.421 55.984 56.400 0.009 0.000 0.861 505 E CB 0.359 30.066 29.700 0.012 0.000 1.056 505 E HN 0.491 nan 8.360 nan 0.000 0.407 506 R N 2.137 122.642 120.500 0.008 0.000 2.307 506 R HA 0.148 4.481 4.340 -0.011 0.000 0.200 506 R C 0.433 176.738 176.300 0.008 0.000 0.893 506 R CA -0.016 56.089 56.100 0.007 0.000 1.042 506 R CB 0.442 30.745 30.300 0.006 0.000 1.059 506 R HN 0.350 nan 8.270 nan 0.000 0.530 507 S N 0.990 116.695 115.700 0.009 0.000 2.455 507 S HA 0.287 4.750 4.470 -0.011 0.000 0.278 507 S C 1.214 175.821 174.600 0.012 0.000 1.216 507 S CA -0.289 57.917 58.200 0.010 0.000 1.055 507 S CB 1.329 64.535 63.200 0.009 0.000 0.939 507 S HN 0.347 nan 8.310 nan 0.000 0.494 508 A N 4.140 126.967 122.820 0.011 0.000 2.019 508 A HA -0.035 4.278 4.320 -0.011 0.000 0.219 508 A C 1.959 179.552 177.584 0.016 0.000 1.164 508 A CA 1.713 53.758 52.037 0.013 0.000 0.644 508 A CB -0.632 18.375 19.000 0.011 0.000 0.805 508 A HN 0.921 nan 8.150 nan 0.000 0.449 509 E N 0.022 120.231 120.200 0.015 0.000 2.051 509 E HA -0.112 4.231 4.350 -0.011 0.000 0.189 509 E C 1.907 178.521 176.600 0.023 0.000 0.979 509 E CA 1.530 57.940 56.400 0.018 0.000 0.803 509 E CB -0.215 29.494 29.700 0.015 0.000 0.761 509 E HN 0.440 nan 8.360 nan 0.000 0.451 510 K N 0.002 120.414 120.400 0.020 0.000 2.147 510 K HA -0.032 4.281 4.320 -0.011 0.000 0.205 510 K C 1.875 178.492 176.600 0.029 0.000 1.049 510 K CA 1.291 57.590 56.287 0.021 0.000 0.936 510 K CB -0.057 32.452 32.500 0.015 0.000 0.722 510 K HN 0.231 nan 8.250 nan 0.000 0.446 511 I N 0.771 121.358 120.570 0.027 0.000 2.277 511 I HA -0.219 3.944 4.170 -0.011 0.000 0.243 511 I C 1.629 177.770 176.117 0.040 0.000 1.094 511 I CA 1.048 62.367 61.300 0.032 0.000 1.393 511 I CB -0.509 37.505 38.000 0.025 0.000 1.078 511 I HN 0.261 nan 8.210 nan 0.000 0.417 512 N N 1.058 119.779 118.700 0.035 0.000 2.459 512 N HA -0.035 4.699 4.740 -0.011 0.000 0.181 512 N C 1.743 177.284 175.510 0.051 0.000 1.046 512 N CA 1.068 54.139 53.050 0.036 0.000 0.904 512 N CB 0.270 38.772 38.487 0.026 0.000 0.964 512 N HN 0.300 nan 8.380 nan 0.000 0.444 513 A N 0.417 123.275 122.820 0.063 0.000 1.975 513 A HA 0.072 4.385 4.320 -0.011 0.000 0.215 513 A C 2.044 179.734 177.584 0.177 0.000 1.170 513 A CA 0.431 52.524 52.037 0.094 0.000 0.656 513 A CB -0.136 18.902 19.000 0.064 0.000 0.821 513 A HN 0.163 nan 8.150 nan 0.000 0.449 514 L N -0.289 121.014 121.223 0.134 0.000 2.477 514 L HA 0.136 4.470 4.340 -0.011 0.000 0.220 514 L C 2.080 179.050 176.870 0.166 0.000 1.106 514 L CA 0.547 55.484 54.840 0.163 0.000 0.851 514 L CB -0.404 41.702 42.059 0.079 0.000 0.994 514 L HN 0.392 nan 8.230 nan 0.000 0.462 515 L N 0.876 122.160 121.223 0.103 0.000 1.956 515 L HA -0.189 4.145 4.340 -0.011 0.000 0.216 515 L C -0.190 176.699 176.870 0.030 0.000 1.073 515 L CA 1.803 56.680 54.840 0.062 0.000 0.762 515 L CB -1.977 40.105 42.059 0.038 0.000 0.889 515 L HN 0.217 nan 8.230 nan 0.000 0.433 516 P HA -0.155 nan 4.420 nan 0.000 0.220 516 P C 1.274 178.458 177.300 -0.193 0.000 1.148 516 P CA 1.481 64.497 63.100 -0.140 0.000 0.803 516 P CB -0.278 31.290 31.700 -0.221 0.000 0.782 517 H N 0.090 119.152 119.070 -0.014 0.000 2.462 517 H HA 0.094 4.643 4.556 -0.011 0.000 0.292 517 H C 1.308 176.604 175.328 -0.054 0.000 1.049 517 H CA 1.022 57.049 56.048 -0.035 0.000 1.334 517 H CB 0.041 29.794 29.762 -0.015 0.000 1.404 517 H HN 0.285 nan 8.280 nan 0.000 0.544 518 K N 0.891 121.357 120.400 0.109 0.000 2.387 518 K HA 0.117 4.430 4.320 -0.011 0.000 0.198 518 K C 0.223 176.938 176.600 0.192 0.000 1.022 518 K CA 0.029 56.400 56.287 0.140 0.000 1.128 518 K CB 0.700 33.296 32.500 0.160 0.000 0.853 518 K HN -0.052 nan 8.250 nan 0.000 0.523 519 T N 1.526 116.120 114.554 0.067 0.000 2.817 519 T HA 0.304 4.648 4.350 -0.011 0.000 0.293 519 T C -0.581 174.136 174.700 0.028 0.000 0.964 519 T CA -0.120 62.051 62.100 0.119 0.000 1.085 519 T CB 0.275 69.168 68.868 0.041 0.000 0.921 519 T HN -0.092 nan 8.240 nan 0.000 0.502 520 F N 3.295 123.257 119.950 0.020 0.000 2.402 520 F HA 0.363 4.883 4.527 -0.011 0.000 0.355 520 F C 1.491 177.318 175.800 0.045 0.000 1.123 520 F CA -1.657 56.367 58.000 0.040 0.000 1.021 520 F CB 0.500 39.515 39.000 0.025 0.000 1.160 520 F HN 0.537 nan 8.300 nan 0.000 0.451 521 I N 1.042 121.715 120.570 0.172 0.000 2.454 521 I HA 0.182 4.345 4.170 -0.011 0.000 0.254 521 I C 1.374 177.583 176.117 0.153 0.000 1.156 521 I CA 0.877 62.257 61.300 0.134 0.000 1.433 521 I CB -0.941 37.121 38.000 0.104 0.000 1.082 521 I HN 0.686 nan 8.210 nan 0.000 0.432 522 G N 1.084 110.003 108.800 0.198 0.000 2.601 522 G HA2 -0.061 3.892 3.960 -0.011 0.000 0.252 522 G HA3 -0.061 3.892 3.960 -0.011 0.000 0.252 522 G C 0.725 175.712 174.900 0.145 0.000 1.294 522 G CA 0.161 45.361 45.100 0.167 0.000 0.912 522 G HN 1.631 nan 8.290 nan 0.000 0.574 523 G N -1.332 107.529 108.800 0.101 0.000 2.249 523 G HA2 -0.171 3.782 3.960 -0.011 0.000 0.273 523 G HA3 -0.171 3.782 3.960 -0.011 0.000 0.273 523 G C 0.341 175.335 174.900 0.157 0.000 1.036 523 G CA 1.592 46.749 45.100 0.096 0.000 0.824 523 G HN 1.015 nan 8.290 nan 0.000 0.504 524 R N 0.737 121.298 120.500 0.102 0.000 2.294 524 R HA 0.462 4.795 4.340 -0.011 0.000 0.319 524 R C -2.253 174.047 176.300 -0.001 0.000 0.984 524 R CA -1.910 54.239 56.100 0.081 0.000 0.861 524 R CB 1.540 31.871 30.300 0.051 0.000 1.104 524 R HN 0.117 nan 8.270 nan 0.000 0.451 525 P HA 0.063 nan 4.420 nan 0.000 0.272 525 P C -0.858 176.384 177.300 -0.096 0.000 1.230 525 P CA -0.324 62.718 63.100 -0.096 0.000 0.788 525 P CB 1.104 32.560 31.700 -0.407 0.000 0.949 526 S N -0.006 115.676 115.700 -0.029 0.000 2.558 526 S HA 0.433 4.897 4.470 -0.011 0.000 0.277 526 S C -1.330 173.315 174.600 0.076 0.000 1.143 526 S CA -0.961 57.245 58.200 0.011 0.000 0.865 526 S CB 0.744 63.878 63.200 -0.110 0.000 1.102 526 S HN 0.270 nan 8.310 nan 0.000 0.454 527 N N 1.232 120.021 118.700 0.149 0.000 2.362 527 N HA 0.615 5.349 4.740 -0.011 0.000 0.298 527 N C -1.288 174.332 175.510 0.184 0.000 1.048 527 N CA -0.272 52.888 53.050 0.183 0.000 0.858 527 N CB 2.014 40.642 38.487 0.235 0.000 1.218 527 N HN 0.728 nan 8.380 nan 0.000 0.488 528 T N 2.107 116.742 114.554 0.135 0.000 2.791 528 T HA 0.440 4.783 4.350 -0.011 0.000 0.288 528 T C 0.133 174.989 174.700 0.260 0.000 0.999 528 T CA -0.437 61.764 62.100 0.169 0.000 0.952 528 T CB 0.539 69.425 68.868 0.030 0.000 0.938 528 T HN 0.155 nan 8.240 nan 0.000 0.444 529 L N 4.350 125.801 121.223 0.380 0.000 2.276 529 L HA 0.550 4.883 4.340 -0.011 0.000 0.286 529 L C -0.776 176.372 176.870 0.462 0.000 1.024 529 L CA -0.817 54.236 54.840 0.355 0.000 0.826 529 L CB 1.090 43.326 42.059 0.295 0.000 1.211 529 L HN 0.354 nan 8.230 nan 0.000 0.422 530 L N 6.240 127.771 121.223 0.514 0.000 2.325 530 L HA 0.633 4.966 4.340 -0.011 0.000 0.281 530 L C -0.282 176.810 176.870 0.371 0.000 1.004 530 L CA -0.270 54.873 54.840 0.504 0.000 0.823 530 L CB 1.368 43.864 42.059 0.728 0.000 1.236 530 L HN 0.437 nan 8.230 nan 0.000 0.415 531 I N 0.588 121.218 120.570 0.099 0.000 2.750 531 I HA 0.522 4.685 4.170 -0.011 0.000 0.308 531 I C 0.721 176.603 176.117 -0.392 0.000 1.016 531 I CA -0.901 60.277 61.300 -0.204 0.000 1.098 531 I CB 1.717 39.666 38.000 -0.085 0.000 1.279 531 I HN 0.615 nan 8.210 nan 0.000 0.454 532 K N 1.781 121.731 120.400 -0.751 0.000 2.057 532 K HA -0.024 4.289 4.320 -0.011 0.000 0.206 532 K C 0.363 176.868 176.600 -0.158 0.000 1.050 532 K CA 1.555 57.557 56.287 -0.476 0.000 0.935 532 K CB 0.133 32.352 32.500 -0.469 0.000 0.715 532 K HN 0.911 nan 8.250 nan 0.000 0.439 533 S N -0.904 114.719 115.700 -0.129 0.000 2.552 533 S HA 0.222 4.686 4.470 -0.011 0.000 0.272 533 S C -1.217 173.386 174.600 0.005 0.000 1.150 533 S CA -1.115 57.076 58.200 -0.016 0.000 0.849 533 S CB 1.168 64.380 63.200 0.020 0.000 1.113 533 S HN 0.068 nan 8.310 nan 0.000 0.458 534 L N 3.565 124.834 121.223 0.076 0.000 2.399 534 L HA 0.420 4.753 4.340 -0.011 0.000 0.257 534 L C 0.539 177.451 176.870 0.069 0.000 1.236 534 L CA 0.497 55.384 54.840 0.079 0.000 1.144 534 L CB -0.557 41.591 42.059 0.148 0.000 1.379 534 L HN 0.951 nan 8.230 nan 0.000 0.414 535 T N 0.852 115.357 114.554 -0.081 0.000 2.902 535 T HA 0.465 4.809 4.350 -0.011 0.000 0.280 535 T C -1.732 172.678 174.700 -0.484 0.000 0.992 535 T CA -1.820 60.049 62.100 -0.385 0.000 1.015 535 T CB 1.039 69.769 68.868 -0.231 0.000 1.044 535 T HN 0.230 nan 8.240 nan 0.000 0.520 536 P HA -0.118 nan 4.420 nan 0.000 0.217 536 P C 1.473 178.624 177.300 -0.247 0.000 1.148 536 P CA 0.974 63.813 63.100 -0.436 0.000 0.828 536 P CB 0.068 31.500 31.700 -0.447 0.000 0.783 537 R N -0.132 120.238 120.500 -0.216 0.000 2.075 537 R HA -0.037 4.296 4.340 -0.011 0.000 0.232 537 R C 2.186 178.444 176.300 -0.070 0.000 1.126 537 R CA 1.455 57.487 56.100 -0.114 0.000 0.963 537 R CB -0.718 29.528 30.300 -0.090 0.000 0.858 537 R HN 0.075 nan 8.270 nan 0.000 0.435 538 A N 0.900 123.668 122.820 -0.087 0.000 1.898 538 A HA -0.146 4.167 4.320 -0.011 0.000 0.216 538 A C 1.997 179.574 177.584 -0.013 0.000 1.181 538 A CA 1.084 53.094 52.037 -0.044 0.000 0.620 538 A CB -0.525 18.443 19.000 -0.053 0.000 0.819 538 A HN 0.374 nan 8.150 nan 0.000 0.442 539 L N 0.131 121.326 121.223 -0.046 0.000 2.046 539 L HA 0.000 4.334 4.340 -0.011 0.000 0.208 539 L C 2.395 179.288 176.870 0.038 0.000 1.077 539 L CA 2.275 57.096 54.840 -0.031 0.000 0.747 539 L CB -1.011 40.983 42.059 -0.107 0.000 0.896 539 L HN 0.296 nan 8.230 nan 0.000 0.432 540 G N -1.002 107.835 108.800 0.062 0.000 2.440 540 G HA2 -0.290 3.663 3.960 -0.011 0.000 0.218 540 G HA3 -0.290 3.663 3.960 -0.011 0.000 0.218 540 G C 1.599 176.598 174.900 0.165 0.000 1.154 540 G CA 0.890 46.135 45.100 0.241 0.000 0.767 540 G HN 0.643 nan 8.290 nan 0.000 0.552 541 A N 0.721 123.586 122.820 0.075 0.000 1.877 541 A HA 0.049 4.362 4.320 -0.011 0.000 0.216 541 A C 2.420 180.054 177.584 0.083 0.000 1.186 541 A CA 1.360 53.429 52.037 0.054 0.000 0.620 541 A CB -0.366 18.655 19.000 0.035 0.000 0.822 541 A HN 0.373 nan 8.150 nan 0.000 0.443 542 I N -0.011 120.626 120.570 0.112 0.000 2.179 542 I HA -0.223 3.941 4.170 -0.011 0.000 0.242 542 I C 2.157 178.436 176.117 0.269 0.000 1.088 542 I CA 0.870 62.274 61.300 0.172 0.000 1.357 542 I CB -0.260 37.852 38.000 0.187 0.000 1.051 542 I HN 0.246 nan 8.210 nan 0.000 0.409 543 I N 1.092 121.815 120.570 0.255 0.000 2.202 543 I HA -0.226 3.937 4.170 -0.011 0.000 0.242 543 I C 2.876 179.177 176.117 0.305 0.000 1.091 543 I CA 1.647 63.144 61.300 0.330 0.000 1.368 543 I CB -1.783 36.407 38.000 0.317 0.000 1.058 543 I HN 0.161 nan 8.210 nan 0.000 0.410 544 A N 0.703 123.628 122.820 0.175 0.000 1.940 544 A HA -0.258 4.055 4.320 -0.011 0.000 0.219 544 A C 2.464 179.921 177.584 -0.211 0.000 1.176 544 A CA 1.987 53.944 52.037 -0.133 0.000 0.631 544 A CB -0.699 18.181 19.000 -0.200 0.000 0.814 544 A HN 0.462 nan 8.150 nan 0.000 0.446 545 M N -1.954 117.623 119.600 -0.039 0.000 2.080 545 M HA -0.197 4.276 4.480 -0.011 0.000 0.260 545 M C 1.991 178.211 176.300 -0.133 0.000 1.068 545 M CA 1.966 57.217 55.300 -0.082 0.000 1.109 545 M CB -0.270 32.266 32.600 -0.107 0.000 1.342 545 M HN 0.480 nan 8.290 nan 0.000 0.405 546 Y N 0.896 121.212 120.300 0.026 0.000 2.263 546 Y HA -0.139 4.404 4.550 -0.011 0.000 0.292 546 Y C 2.261 178.191 175.900 0.049 0.000 1.130 546 Y CA 1.665 59.793 58.100 0.047 0.000 1.179 546 Y CB -0.345 38.165 38.460 0.084 0.000 0.998 546 Y HN 0.375 nan 8.280 nan 0.000 0.532 547 E N -1.038 119.276 120.200 0.190 0.000 2.077 547 E HA -0.220 4.124 4.350 -0.011 0.000 0.193 547 E C 1.742 178.476 176.600 0.222 0.000 0.989 547 E CA 1.314 57.861 56.400 0.245 0.000 0.800 547 E CB -0.155 29.665 29.700 0.199 0.000 0.746 547 E HN 0.550 nan 8.360 nan 0.000 0.452 548 H N 0.407 119.477 119.070 0.000 0.000 2.470 548 H HA 0.018 4.568 4.556 -0.011 0.000 0.289 548 H C 1.922 177.067 175.328 -0.305 0.000 1.033 548 H CA 0.816 56.631 56.048 -0.389 0.000 1.331 548 H CB -0.007 29.080 29.762 -1.125 0.000 1.414 548 H HN 0.072 nan 8.280 nan 0.000 0.545 549 K N 1.027 121.397 120.400 -0.051 0.000 2.057 549 K HA -0.085 4.228 4.320 -0.011 0.000 0.207 549 K C 1.938 178.557 176.600 0.033 0.000 1.049 549 K CA 1.181 57.452 56.287 -0.027 0.000 0.931 549 K CB -0.016 32.465 32.500 -0.032 0.000 0.714 549 K HN 0.023 nan 8.250 nan 0.000 0.440 550 V N 2.136 122.116 119.914 0.110 0.000 2.427 550 V HA -0.238 3.876 4.120 -0.011 0.000 0.248 550 V C 2.359 178.534 176.094 0.135 0.000 1.051 550 V CA 1.538 63.913 62.300 0.125 0.000 1.048 550 V CB -0.357 31.583 31.823 0.194 0.000 0.666 550 V HN 0.391 nan 8.190 nan 0.000 0.456 551 L N -0.299 121.081 121.223 0.263 0.000 1.994 551 L HA -0.159 4.174 4.340 -0.011 0.000 0.208 551 L C 2.404 179.432 176.870 0.264 0.000 1.071 551 L CA 1.776 56.857 54.840 0.402 0.000 0.745 551 L CB -0.199 42.224 42.059 0.607 0.000 0.892 551 L HN 0.148 nan 8.230 nan 0.000 0.431 552 V N -0.084 119.948 119.914 0.198 0.000 2.295 552 V HA -0.322 3.792 4.120 -0.011 0.000 0.246 552 V C 2.518 178.520 176.094 -0.153 0.000 1.049 552 V CA 2.147 64.501 62.300 0.090 0.000 1.024 552 V CB -0.758 31.137 31.823 0.119 0.000 0.648 552 V HN 0.548 nan 8.190 nan 0.000 0.447 553 Q N 0.043 119.678 119.800 -0.276 0.000 2.096 553 Q HA -0.162 4.171 4.340 -0.011 0.000 0.204 553 Q C 2.400 177.894 176.000 -0.844 0.000 0.982 553 Q CA 1.758 57.102 55.803 -0.764 0.000 0.850 553 Q CB -0.567 27.710 28.738 -0.768 0.000 0.901 553 Q HN 0.736 nan 8.270 nan 0.000 0.422 554 G N 0.655 109.268 108.800 -0.312 0.000 2.418 554 G HA2 -0.210 3.743 3.960 -0.011 0.000 0.217 554 G HA3 -0.210 3.743 3.960 -0.011 0.000 0.217 554 G C 1.474 176.280 174.900 -0.158 0.000 1.158 554 G CA 0.839 45.886 45.100 -0.090 0.000 0.771 554 G HN 0.422 nan 8.290 nan 0.000 0.545 555 A N 0.323 122.975 122.820 -0.280 0.000 2.014 555 A HA 0.187 4.501 4.320 -0.011 0.000 0.218 555 A C 2.354 179.755 177.584 -0.305 0.000 1.163 555 A CA 0.859 52.601 52.037 -0.492 0.000 0.652 555 A CB -0.243 18.323 19.000 -0.722 0.000 0.808 555 A HN 0.381 nan 8.150 nan 0.000 0.449 556 I N -1.730 118.672 120.570 -0.281 0.000 2.252 556 I HA -0.228 3.936 4.170 -0.011 0.000 0.245 556 I C 2.088 178.144 176.117 -0.100 0.000 1.102 556 I CA 0.845 62.022 61.300 -0.206 0.000 1.385 556 I CB -0.235 37.606 38.000 -0.264 0.000 1.064 556 I HN 0.491 nan 8.210 nan 0.000 0.414 557 W N 0.725 121.992 121.300 -0.055 0.000 2.800 557 W HA 0.169 4.822 4.660 -0.012 0.000 0.249 557 W C 1.809 178.263 176.519 -0.108 0.000 1.294 557 W CA 1.044 58.337 57.345 -0.086 0.000 1.402 557 W CB -1.281 28.158 29.460 -0.036 0.000 1.126 557 W HN 0.382 nan 8.180 nan 0.000 0.652 558 G N 1.103 109.934 108.800 0.052 0.000 2.148 558 G HA2 -0.306 3.647 3.960 -0.011 0.000 0.254 558 G HA3 -0.306 3.647 3.960 -0.011 0.000 0.254 558 G C 0.290 175.209 174.900 0.032 0.000 0.981 558 G CA 0.321 45.413 45.100 -0.014 0.000 0.670 558 G HN 0.348 nan 8.290 nan 0.000 0.528 559 I N -2.905 117.716 120.570 0.085 0.000 3.078 559 I HA 0.737 4.901 4.170 -0.011 0.000 0.318 559 I C -0.222 175.952 176.117 0.094 0.000 1.016 559 I CA -1.061 60.304 61.300 0.110 0.000 1.130 559 I CB 1.201 39.296 38.000 0.158 0.000 1.397 559 I HN -0.060 nan 8.210 nan 0.000 0.570 560 D N 1.890 122.365 120.400 0.126 0.000 2.428 560 D HA 0.231 4.864 4.640 -0.011 0.000 0.221 560 D C 0.176 176.495 176.300 0.032 0.000 1.123 560 D CA -0.192 53.899 54.000 0.152 0.000 0.869 560 D CB 1.190 42.127 40.800 0.228 0.000 1.032 560 D HN 0.567 nan 8.370 nan 0.000 0.506 561 S N 2.780 118.363 115.700 -0.195 0.000 2.660 561 S HA -0.030 4.434 4.470 -0.011 0.000 0.223 561 S C 0.371 174.602 174.600 -0.615 0.000 0.963 561 S CA 0.059 57.989 58.200 -0.449 0.000 0.932 561 S CB -0.089 62.722 63.200 -0.648 0.000 0.775 561 S HN 0.531 nan 8.310 nan 0.000 0.531 562 Y N 0.991 121.424 120.300 0.221 0.000 2.527 562 Y HA 0.269 4.813 4.550 -0.012 0.000 0.247 562 Y C 0.303 176.272 175.900 0.115 0.000 1.138 562 Y CA -1.570 56.652 58.100 0.202 0.000 1.228 562 Y CB 0.020 38.586 38.460 0.177 0.000 1.252 562 Y HN 0.227 nan 8.280 nan 0.000 0.531 563 D N -0.417 120.060 120.400 0.127 0.000 2.442 563 D HA 0.359 4.992 4.640 -0.011 0.000 0.254 563 D C -0.003 176.209 176.300 -0.147 0.000 1.069 563 D CA -0.841 53.108 54.000 -0.085 0.000 1.017 563 D CB 0.879 41.614 40.800 -0.107 0.000 1.172 563 D HN 0.009 nan 8.370 nan 0.000 0.561 564 Q N -0.332 119.251 119.800 -0.362 0.000 3.112 564 Q HA 0.126 4.459 4.340 -0.011 0.000 0.300 564 Q C -0.735 175.143 176.000 -0.203 0.000 0.760 564 Q CA -0.558 55.123 55.803 -0.204 0.000 0.979 564 Q CB -1.275 27.387 28.738 -0.127 0.000 1.512 564 Q HN 0.753 nan 8.270 nan 0.000 0.378 565 W N 0.809 122.126 121.300 0.028 0.000 2.525 565 W HA 0.108 4.761 4.660 -0.012 0.000 0.259 565 W C 1.927 178.448 176.519 0.004 0.000 1.253 565 W CA 0.916 58.276 57.345 0.025 0.000 1.262 565 W CB 0.172 29.654 29.460 0.037 0.000 1.122 565 W HN 0.580 nan 8.180 nan 0.000 0.607 566 G N 0.464 109.354 108.800 0.150 0.000 2.559 566 G HA2 -0.153 3.800 3.960 -0.011 0.000 0.216 566 G HA3 -0.153 3.800 3.960 -0.011 0.000 0.216 566 G C 1.306 176.228 174.900 0.037 0.000 1.126 566 G CA 1.223 46.359 45.100 0.059 0.000 0.778 566 G HN 0.306 nan 8.290 nan 0.000 0.543 567 V N -2.899 117.036 119.914 0.034 0.000 3.608 567 V HA 0.238 4.352 4.120 -0.011 0.000 0.269 567 V C 1.843 177.960 176.094 0.039 0.000 1.245 567 V CA 0.865 63.175 62.300 0.016 0.000 1.138 567 V CB 0.075 31.890 31.823 -0.013 0.000 0.841 567 V HN 0.329 nan 8.190 nan 0.000 0.451 568 E N 0.730 120.979 120.200 0.083 0.000 2.072 568 E HA -0.140 4.204 4.350 -0.011 0.000 0.191 568 E C 2.038 178.684 176.600 0.077 0.000 0.985 568 E CA 1.446 57.906 56.400 0.100 0.000 0.801 568 E CB -0.152 29.656 29.700 0.180 0.000 0.750 568 E HN 0.542 nan 8.360 nan 0.000 0.452 569 L N 1.070 122.337 121.223 0.073 0.000 2.046 569 L HA -0.058 4.275 4.340 -0.011 0.000 0.208 569 L C 2.227 179.121 176.870 0.040 0.000 1.077 569 L CA 2.177 57.051 54.840 0.057 0.000 0.747 569 L CB -0.880 41.213 42.059 0.055 0.000 0.896 569 L HN 0.090 nan 8.230 nan 0.000 0.432 570 G N -0.901 107.917 108.800 0.029 0.000 2.422 570 G HA2 -0.264 3.689 3.960 -0.011 0.000 0.218 570 G HA3 -0.264 3.689 3.960 -0.011 0.000 0.218 570 G C 1.695 176.601 174.900 0.011 0.000 1.146 570 G CA 0.885 45.993 45.100 0.013 0.000 0.769 570 G HN 0.422 nan 8.290 nan 0.000 0.547 571 K N -0.201 120.211 120.400 0.019 0.000 2.057 571 K HA 0.044 4.357 4.320 -0.011 0.000 0.206 571 K C 2.573 179.188 176.600 0.025 0.000 1.050 571 K CA 0.885 57.183 56.287 0.018 0.000 0.935 571 K CB -0.237 32.277 32.500 0.023 0.000 0.715 571 K HN 0.190 nan 8.250 nan 0.000 0.439 572 V N 1.837 121.773 119.914 0.036 0.000 2.358 572 V HA -0.201 3.913 4.120 -0.011 0.000 0.246 572 V C 2.116 178.233 176.094 0.039 0.000 1.047 572 V CA 1.520 63.843 62.300 0.039 0.000 1.035 572 V CB -0.339 31.512 31.823 0.046 0.000 0.658 572 V HN 0.275 nan 8.190 nan 0.000 0.452 573 L N -0.126 121.121 121.223 0.039 0.000 2.217 573 L HA -0.059 4.275 4.340 -0.011 0.000 0.211 573 L C 2.615 179.506 176.870 0.036 0.000 1.107 573 L CA 1.155 56.025 54.840 0.049 0.000 0.783 573 L CB -0.672 41.416 42.059 0.048 0.000 0.919 573 L HN 0.351 nan 8.230 nan 0.000 0.442 574 A N 0.165 122.993 122.820 0.013 0.000 1.929 574 A HA -0.160 4.153 4.320 -0.011 0.000 0.216 574 A C 2.312 179.900 177.584 0.005 0.000 1.176 574 A CA 1.229 53.262 52.037 -0.006 0.000 0.628 574 A CB -0.209 18.782 19.000 -0.016 0.000 0.816 574 A HN 0.260 nan 8.150 nan 0.000 0.444 575 K N -0.438 119.973 120.400 0.018 0.000 2.148 575 K HA -0.071 4.242 4.320 -0.011 0.000 0.204 575 K C 2.277 178.896 176.600 0.032 0.000 1.050 575 K CA 1.259 57.560 56.287 0.022 0.000 0.942 575 K CB -0.122 32.392 32.500 0.025 0.000 0.724 575 K HN 0.428 nan 8.250 nan 0.000 0.446 576 S N 0.704 116.431 115.700 0.044 0.000 2.414 576 S HA 0.037 4.500 4.470 -0.011 0.000 0.227 576 S C 1.786 176.438 174.600 0.088 0.000 1.022 576 S CA 0.541 58.778 58.200 0.062 0.000 0.958 576 S CB 0.029 63.273 63.200 0.073 0.000 0.797 576 S HN 0.175 nan 8.310 nan 0.000 0.493 577 I N 0.992 121.607 120.570 0.076 0.000 2.584 577 I HA -0.045 4.118 4.170 -0.011 0.000 0.255 577 I C 2.148 178.279 176.117 0.022 0.000 1.145 577 I CA 0.300 61.632 61.300 0.053 0.000 1.462 577 I CB -0.227 37.751 38.000 -0.038 0.000 1.102 577 I HN 0.301 nan 8.210 nan 0.000 0.433 578 L N 3.080 124.310 121.223 0.013 0.000 1.997 578 L HA -0.154 4.179 4.340 -0.011 0.000 0.216 578 L C -0.455 176.439 176.870 0.040 0.000 1.074 578 L CA 2.457 57.306 54.840 0.015 0.000 0.763 578 L CB -1.682 40.386 42.059 0.014 0.000 0.890 578 L HN 0.131 nan 8.230 nan 0.000 0.434 579 P HA -0.141 nan 4.420 nan 0.000 0.237 579 P C 0.937 178.275 177.300 0.062 0.000 1.178 579 P CA 1.103 64.233 63.100 0.050 0.000 0.766 579 P CB -0.007 31.717 31.700 0.040 0.000 0.876 580 Q N -0.531 119.313 119.800 0.072 0.000 2.408 580 Q HA 0.168 4.501 4.340 -0.011 0.000 0.205 580 Q C 0.878 176.945 176.000 0.111 0.000 0.919 580 Q CA 0.123 55.980 55.803 0.090 0.000 0.932 580 Q CB 0.106 28.912 28.738 0.113 0.000 1.058 580 Q HN 0.327 nan 8.270 nan 0.000 0.517 581 L N 2.497 123.790 121.223 0.117 0.000 2.423 581 L HA 0.273 4.607 4.340 -0.011 0.000 0.249 581 L C -0.247 176.760 176.870 0.230 0.000 1.276 581 L CA 0.105 55.073 54.840 0.214 0.000 1.199 581 L CB -0.192 41.965 42.059 0.164 0.000 1.407 581 L HN 0.002 nan 8.230 nan 0.000 0.410 582 R N 1.771 122.379 120.500 0.179 0.000 2.686 582 R HA 0.448 4.781 4.340 -0.011 0.000 0.286 582 R C -2.624 173.742 176.300 0.110 0.000 0.969 582 R CA -2.120 54.056 56.100 0.127 0.000 0.898 582 R CB 1.841 32.189 30.300 0.080 0.000 1.183 582 R HN 0.006 nan 8.270 nan 0.000 0.456 583 P HA -0.054 nan 4.420 nan 0.000 0.260 583 P C 0.622 177.945 177.300 0.039 0.000 1.185 583 P CA 1.234 64.370 63.100 0.060 0.000 0.763 583 P CB 0.492 32.226 31.700 0.058 0.000 0.776 584 G N 2.771 111.589 108.800 0.031 0.000 2.205 584 G HA2 -0.342 3.611 3.960 -0.011 0.000 0.261 584 G HA3 -0.342 3.611 3.960 -0.011 0.000 0.261 584 G C 0.265 175.188 174.900 0.039 0.000 0.980 584 G CA 0.102 45.218 45.100 0.027 0.000 0.632 584 G HN 0.573 nan 8.290 nan 0.000 0.533 585 M N 1.362 120.995 119.600 0.055 0.000 2.228 585 M HA 0.486 4.959 4.480 -0.011 0.000 0.351 585 M C 0.597 176.937 176.300 0.067 0.000 1.233 585 M CA 0.057 55.394 55.300 0.061 0.000 1.129 585 M CB 0.292 32.936 32.600 0.074 0.000 1.604 585 M HN 0.264 nan 8.290 nan 0.000 0.457 586 R N 3.931 124.466 120.500 0.057 0.000 2.514 586 R HA 0.676 5.009 4.340 -0.011 0.000 0.301 586 R C -1.045 175.294 176.300 0.066 0.000 0.962 586 R CA -0.928 55.207 56.100 0.059 0.000 0.882 586 R CB 1.670 31.996 30.300 0.044 0.000 1.143 586 R HN 0.653 nan 8.270 nan 0.000 0.452 587 V N -0.106 119.857 119.914 0.082 0.000 2.864 587 V HA 0.521 4.635 4.120 -0.011 0.000 0.314 587 V C -0.232 175.918 176.094 0.094 0.000 1.073 587 V CA -0.791 61.570 62.300 0.102 0.000 0.956 587 V CB 2.028 33.957 31.823 0.177 0.000 1.023 587 V HN 1.001 nan 8.190 nan 0.000 0.435 588 N N 0.682 119.424 118.700 0.070 0.000 2.036 588 N HA 0.001 4.734 4.740 -0.011 0.000 0.228 588 N C 0.806 176.324 175.510 0.013 0.000 1.368 588 N CA 0.376 53.455 53.050 0.048 0.000 0.846 588 N CB -0.566 37.937 38.487 0.027 0.000 1.145 588 N HN 0.741 nan 8.380 nan 0.000 0.502 589 N N 0.157 118.826 118.700 -0.051 0.000 2.457 589 N HA -0.101 4.633 4.740 -0.011 0.000 0.180 589 N C -0.100 175.274 175.510 -0.228 0.000 1.050 589 N CA 0.511 53.458 53.050 -0.172 0.000 0.906 589 N CB -0.290 38.038 38.487 -0.264 0.000 0.968 589 N HN 0.352 nan 8.380 nan 0.000 0.445 590 H N 0.755 119.829 119.070 0.007 0.000 2.760 590 H HA 0.165 4.713 4.556 -0.012 0.000 0.301 590 H C -0.385 174.946 175.328 0.005 0.000 1.498 590 H CA -0.511 55.541 56.048 0.005 0.000 1.525 590 H CB 0.382 30.146 29.762 0.004 0.000 1.771 590 H HN 0.227 nan 8.280 nan 0.000 0.827 591 D N -0.972 119.526 120.400 0.162 0.000 2.357 591 D HA -0.021 4.613 4.640 -0.011 0.000 0.242 591 D C 1.214 177.557 176.300 0.072 0.000 1.153 591 D CA -0.011 54.038 54.000 0.082 0.000 0.918 591 D CB 0.749 41.583 40.800 0.056 0.000 1.181 591 D HN 0.449 nan 8.370 nan 0.000 0.435 592 S N 0.585 116.313 115.700 0.046 0.000 2.420 592 S HA -0.301 4.162 4.470 -0.011 0.000 0.237 592 S C 1.916 176.532 174.600 0.026 0.000 1.023 592 S CA 1.159 59.381 58.200 0.036 0.000 0.991 592 S CB -0.732 62.483 63.200 0.026 0.000 0.792 592 S HN 0.526 nan 8.310 nan 0.000 0.488 593 S N 1.560 117.270 115.700 0.017 0.000 2.338 593 S HA -0.109 4.355 4.470 -0.011 0.000 0.218 593 S C 2.007 176.599 174.600 -0.014 0.000 1.032 593 S CA 1.813 60.014 58.200 0.003 0.000 0.999 593 S CB -1.301 61.898 63.200 -0.002 0.000 0.905 593 S HN 0.693 nan 8.310 nan 0.000 0.439 594 T N 2.878 117.414 114.554 -0.030 0.000 2.759 594 T HA -0.068 4.276 4.350 -0.011 0.000 0.269 594 T C 1.750 176.388 174.700 -0.103 0.000 1.042 594 T CA 1.481 63.517 62.100 -0.107 0.000 1.140 594 T CB -0.598 68.163 68.868 -0.178 0.000 0.864 594 T HN 0.393 nan 8.240 nan 0.000 0.455 595 N N 1.136 119.834 118.700 -0.003 0.000 2.058 595 N HA -0.042 4.691 4.740 -0.011 0.000 0.191 595 N C 2.261 177.790 175.510 0.033 0.000 1.037 595 N CA 1.464 54.545 53.050 0.051 0.000 0.848 595 N CB -0.970 37.570 38.487 0.088 0.000 1.021 595 N HN 0.496 nan 8.380 nan 0.000 0.422 596 G N 1.102 109.917 108.800 0.025 0.000 2.422 596 G HA2 -0.147 3.807 3.960 -0.011 0.000 0.218 596 G HA3 -0.147 3.807 3.960 -0.011 0.000 0.218 596 G C 1.718 176.635 174.900 0.028 0.000 1.146 596 G CA 0.370 45.486 45.100 0.026 0.000 0.769 596 G HN 0.219 nan 8.290 nan 0.000 0.547 597 L N -0.123 121.107 121.223 0.010 0.000 2.072 597 L HA 0.070 4.404 4.340 -0.011 0.000 0.205 597 L C 2.804 179.702 176.870 0.047 0.000 1.079 597 L CA 0.601 55.450 54.840 0.015 0.000 0.752 597 L CB -0.263 41.782 42.059 -0.024 0.000 0.906 597 L HN 0.180 nan 8.230 nan 0.000 0.436 598 I N -0.199 120.379 120.570 0.013 0.000 2.252 598 I HA -0.249 3.914 4.170 -0.011 0.000 0.245 598 I C 2.131 178.333 176.117 0.141 0.000 1.102 598 I CA 0.917 62.248 61.300 0.053 0.000 1.385 598 I CB -0.375 37.615 38.000 -0.015 0.000 1.064 598 I HN 0.307 nan 8.210 nan 0.000 0.414 599 N N 0.666 119.422 118.700 0.093 0.000 2.120 599 N HA -0.208 4.525 4.740 -0.011 0.000 0.188 599 N C 1.819 177.378 175.510 0.082 0.000 1.024 599 N CA 1.409 54.510 53.050 0.085 0.000 0.852 599 N CB -0.331 38.192 38.487 0.059 0.000 1.003 599 N HN 0.357 nan 8.380 nan 0.000 0.424 600 M N -0.822 118.828 119.600 0.084 0.000 2.254 600 M HA -0.079 4.394 4.480 -0.011 0.000 0.265 600 M C 1.807 178.153 176.300 0.077 0.000 1.066 600 M CA 1.063 56.401 55.300 0.064 0.000 1.123 600 M CB -0.061 32.573 32.600 0.057 0.000 1.388 600 M HN 0.046 nan 8.290 nan 0.000 0.425 601 F N 1.666 121.610 119.950 -0.009 0.000 2.075 601 F HA -0.233 4.286 4.527 -0.014 0.000 0.297 601 F C 1.799 177.597 175.800 -0.003 0.000 1.113 601 F CA 1.876 59.868 58.000 -0.013 0.000 1.218 601 F CB -0.522 38.469 39.000 -0.016 0.000 0.984 601 F HN 0.240 nan 8.300 nan 0.000 0.472 602 N N 0.608 119.360 118.700 0.086 0.000 2.309 602 N HA -0.144 4.589 4.740 -0.011 0.000 0.182 602 N C 1.708 177.191 175.510 -0.045 0.000 1.018 602 N CA 1.330 54.390 53.050 0.017 0.000 0.876 602 N CB -0.418 38.144 38.487 0.125 0.000 0.972 602 N HN 0.522 nan 8.380 nan 0.000 0.434 603 E N -0.023 120.157 120.200 -0.033 0.000 2.107 603 E HA -0.002 4.341 4.350 -0.011 0.000 0.191 603 E C 0.841 177.399 176.600 -0.070 0.000 0.982 603 E CA 0.738 57.118 56.400 -0.032 0.000 0.809 603 E CB 0.130 29.823 29.700 -0.012 0.000 0.756 603 E HN 0.338 nan 8.360 nan 0.000 0.459 604 L N -0.344 120.800 121.223 -0.130 0.000 2.906 604 L HA 0.214 4.547 4.340 -0.011 0.000 0.255 604 L C 1.955 178.658 176.870 -0.278 0.000 1.166 604 L CA -0.133 54.612 54.840 -0.158 0.000 0.977 604 L CB 0.457 42.444 42.059 -0.120 0.000 1.313 604 L HN -0.008 nan 8.230 nan 0.000 0.549 605 S N -1.097 114.353 115.700 -0.417 0.000 2.368 605 S HA -0.045 4.418 4.470 -0.011 0.000 0.225 605 S C 0.919 175.160 174.600 -0.597 0.000 1.030 605 S CA 0.753 58.569 58.200 -0.639 0.000 0.999 605 S CB -0.268 62.481 63.200 -0.752 0.000 0.844 605 S HN 0.460 nan 8.310 nan 0.000 0.459 606 H N 0.000 118.971 119.070 -0.165 0.000 2.539 606 H HA 0.000 4.552 4.556 -0.006 0.000 0.296 606 H CA 0.000 55.991 56.048 -0.096 0.000 1.023 606 H CB 0.000 29.721 29.762 -0.068 0.000 1.292 606 H HN 0.000 nan 8.280 nan 0.000 0.496