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 2v6m_1_C DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVRAX XGSYGDLEGA RAVVLAAGVA QRXPGETRLQ LLDRNAQVFA DATA SEQUENCE QVVPRVLEAA EAVLLVATNP VDVMTQVAYR LSGLPPGRVV GSGTILDTAR DATA SEQUENCE FRALLAEYLR VAPQSVHAYV LGEHGDSEVL VWSSAQVPLE FAEARGRALS DATA SEQUENCE PEDRARIDEG VRRAAYRIIE GKGATYYGIG AGLARLVRAI LTDEKGVYTV DATA SEQUENCE SAFTPEVEGV LEXVSLSLPR ILGAGGVEXG TVYPSLSPEE REALRRSAEI DATA SEQUENCE LKEAAFALGF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.310 176.300 0.017 0.000 1.140 22 M CA 0.000 55.311 55.300 0.018 0.000 0.988 22 M CB 0.000 32.605 32.600 0.009 0.000 1.302 23 K N 1.894 122.297 120.400 0.006 0.000 2.244 23 K HA 0.780 5.133 4.320 0.055 0.000 0.260 23 K C -1.669 174.919 176.600 -0.019 0.000 0.951 23 K CA -0.521 55.760 56.287 -0.010 0.000 0.826 23 K CB 1.710 34.198 32.500 -0.020 0.000 1.108 23 K HN 0.539 nan 8.250 nan 0.000 0.433 24 V N 2.621 122.518 119.914 -0.028 0.000 2.513 24 V HA 0.520 4.673 4.120 0.055 0.000 0.299 24 V C 0.483 176.549 176.094 -0.046 0.000 1.035 24 V CA -0.824 61.457 62.300 -0.030 0.000 0.889 24 V CB 1.585 33.394 31.823 -0.023 0.000 0.988 24 V HN 0.939 nan 8.190 nan 0.000 0.440 25 G N 3.610 112.385 108.800 -0.043 0.000 2.441 25 G HA2 0.806 4.799 3.960 0.055 0.000 0.334 25 G HA3 0.806 4.799 3.960 0.055 0.000 0.334 25 G C -1.090 173.780 174.900 -0.049 0.000 1.161 25 G CA -0.581 44.488 45.100 -0.053 0.000 0.935 25 G HN 0.611 nan 8.290 nan 0.000 0.488 26 I N 0.750 121.283 120.570 -0.061 0.000 2.548 26 I HA 0.229 4.432 4.170 0.055 0.000 0.287 26 I C -0.719 175.353 176.117 -0.074 0.000 1.103 26 I CA -0.836 60.429 61.300 -0.059 0.000 1.049 26 I CB 2.519 40.486 38.000 -0.055 0.000 1.232 26 I HN 0.103 nan 8.210 nan 0.000 0.429 27 V N 4.882 124.754 119.914 -0.069 0.000 2.370 27 V HA 0.855 5.008 4.120 0.055 0.000 0.279 27 V C 0.466 176.518 176.094 -0.070 0.000 1.029 27 V CA -0.415 61.837 62.300 -0.079 0.000 0.870 27 V CB 1.006 32.800 31.823 -0.049 0.000 0.984 27 V HN 1.048 nan 8.190 nan 0.000 0.451 28 G N 3.321 112.078 108.800 -0.071 0.000 3.373 28 G HA2 -0.072 3.921 3.960 0.055 0.000 0.685 28 G HA3 -0.072 3.921 3.960 0.055 0.000 0.685 28 G C -0.181 174.679 174.900 -0.067 0.000 1.166 28 G CA -0.138 44.933 45.100 -0.048 0.000 1.063 28 G HN 0.800 nan 8.290 nan 0.000 0.481 29 S N 1.283 116.944 115.700 -0.065 0.000 2.457 29 S HA 0.593 5.096 4.470 0.055 0.000 0.237 29 S C 1.376 175.907 174.600 -0.116 0.000 1.213 29 S CA 0.769 58.910 58.200 -0.098 0.000 1.218 29 S CB -0.506 62.674 63.200 -0.033 0.000 0.922 29 S HN 1.517 nan 8.310 nan 0.000 0.488 30 G N 1.474 110.203 108.800 -0.119 0.000 2.582 30 G HA2 0.287 4.280 3.960 0.055 0.000 0.232 30 G HA3 0.287 4.280 3.960 0.055 0.000 0.232 30 G C 1.118 175.853 174.900 -0.275 0.000 1.458 30 G CA -0.287 44.736 45.100 -0.128 0.000 1.062 30 G HN 0.347 nan 8.290 nan 0.000 0.566 31 M N -0.703 118.726 119.600 -0.285 0.000 2.159 31 M HA -0.048 4.465 4.480 0.055 0.000 0.263 31 M C 2.663 178.784 176.300 -0.299 0.000 1.063 31 M CA 0.781 55.791 55.300 -0.482 0.000 1.110 31 M CB -1.317 30.786 32.600 -0.828 0.000 1.374 31 M HN 0.204 nan 8.290 nan 0.000 0.411 32 V N -0.059 119.777 119.914 -0.130 0.000 2.323 32 V HA -0.127 4.026 4.120 0.055 0.000 0.244 32 V C 2.621 178.686 176.094 -0.047 0.000 1.041 32 V CA 1.998 64.287 62.300 -0.020 0.000 1.025 32 V CB -1.622 30.215 31.823 0.023 0.000 0.656 32 V HN 0.525 nan 8.190 nan 0.000 0.451 33 G N 0.317 109.063 108.800 -0.089 0.000 2.418 33 G HA2 -0.283 3.710 3.960 0.055 0.000 0.217 33 G HA3 -0.283 3.710 3.960 0.055 0.000 0.217 33 G C 1.889 176.707 174.900 -0.136 0.000 1.158 33 G CA 1.447 46.490 45.100 -0.095 0.000 0.771 33 G HN 0.634 nan 8.290 nan 0.000 0.545 34 S N 0.960 116.490 115.700 -0.283 0.000 2.402 34 S HA 0.235 4.738 4.470 0.055 0.000 0.229 34 S C 2.530 177.071 174.600 -0.097 0.000 1.021 34 S CA 1.353 59.351 58.200 -0.337 0.000 0.974 34 S CB -0.306 62.324 63.200 -0.950 0.000 0.800 34 S HN 0.554 nan 8.310 nan 0.000 0.484 35 A N 1.501 124.296 122.820 -0.043 0.000 2.014 35 A HA 0.080 4.433 4.320 0.055 0.000 0.218 35 A C 2.319 180.017 177.584 0.191 0.000 1.163 35 A CA 1.613 53.749 52.037 0.165 0.000 0.652 35 A CB -1.352 17.784 19.000 0.227 0.000 0.808 35 A HN 0.550 nan 8.150 nan 0.000 0.449 36 T N 0.376 114.986 114.554 0.094 0.000 2.777 36 T HA -0.020 4.363 4.350 0.055 0.000 0.266 36 T C 2.244 176.993 174.700 0.081 0.000 1.040 36 T CA 1.495 63.640 62.100 0.076 0.000 1.141 36 T CB -0.384 68.502 68.868 0.030 0.000 0.868 36 T HN 0.569 nan 8.240 nan 0.000 0.444 37 A N 0.501 123.364 122.820 0.071 0.000 1.902 37 A HA -0.096 4.257 4.320 0.055 0.000 0.217 37 A C 2.111 179.800 177.584 0.175 0.000 1.181 37 A CA 1.398 53.487 52.037 0.086 0.000 0.623 37 A CB -0.978 18.055 19.000 0.054 0.000 0.818 37 A HN 0.525 nan 8.150 nan 0.000 0.443 38 Y N 0.647 120.982 120.300 0.059 0.000 2.145 38 Y HA -0.107 4.471 4.550 0.046 0.000 0.286 38 Y C 2.745 178.703 175.900 0.097 0.000 1.145 38 Y CA 0.993 59.150 58.100 0.095 0.000 1.148 38 Y CB -0.815 37.722 38.460 0.128 0.000 0.981 38 Y HN 0.316 nan 8.280 nan 0.000 0.507 39 A N 0.209 123.104 122.820 0.125 0.000 1.883 39 A HA -0.205 4.148 4.320 0.055 0.000 0.217 39 A C 2.380 179.971 177.584 0.011 0.000 1.186 39 A CA 1.997 54.047 52.037 0.023 0.000 0.624 39 A CB -1.284 17.762 19.000 0.076 0.000 0.822 39 A HN 0.529 nan 8.150 nan 0.000 0.444 40 L N -0.849 120.399 121.223 0.040 0.000 2.043 40 L HA -0.268 4.105 4.340 0.055 0.000 0.212 40 L C 3.089 179.984 176.870 0.040 0.000 1.075 40 L CA 1.352 56.211 54.840 0.032 0.000 0.752 40 L CB -0.541 41.537 42.059 0.031 0.000 0.891 40 L HN 0.470 nan 8.230 nan 0.000 0.432 41 A N -0.201 122.650 122.820 0.052 0.000 1.872 41 A HA -0.099 4.254 4.320 0.055 0.000 0.214 41 A C 2.221 179.847 177.584 0.070 0.000 1.187 41 A CA 1.122 53.204 52.037 0.075 0.000 0.614 41 A CB -0.656 18.407 19.000 0.104 0.000 0.826 41 A HN 0.333 nan 8.150 nan 0.000 0.442 42 L N -0.647 120.546 121.223 -0.049 0.000 2.131 42 L HA -0.120 4.252 4.340 0.055 0.000 0.210 42 L C 2.066 178.994 176.870 0.097 0.000 1.092 42 L CA 0.927 55.724 54.840 -0.073 0.000 0.759 42 L CB -0.437 41.453 42.059 -0.282 0.000 0.903 42 L HN 0.357 nan 8.230 nan 0.000 0.435 43 L N -0.490 120.784 121.223 0.086 0.000 2.591 43 L HA 0.162 4.534 4.340 0.055 0.000 0.228 43 L C 1.234 178.132 176.870 0.046 0.000 1.133 43 L CA 0.258 55.159 54.840 0.103 0.000 0.880 43 L CB -0.387 41.691 42.059 0.032 0.000 1.033 43 L HN 0.415 nan 8.230 nan 0.000 0.450 44 G N 0.416 109.272 108.800 0.092 0.000 2.314 44 G HA2 -0.236 3.757 3.960 0.055 0.000 0.292 44 G HA3 -0.236 3.757 3.960 0.055 0.000 0.292 44 G C 0.661 175.497 174.900 -0.107 0.000 1.059 44 G CA 0.400 45.439 45.100 -0.100 0.000 0.982 44 G HN 0.151 nan 8.290 nan 0.000 0.505 45 V N -0.733 119.161 119.914 -0.033 0.000 2.488 45 V HA 0.425 4.577 4.120 0.055 0.000 0.246 45 V C 1.771 177.852 176.094 -0.023 0.000 1.046 45 V CA 2.462 64.744 62.300 -0.031 0.000 1.053 45 V CB -0.078 31.737 31.823 -0.013 0.000 0.679 45 V HN 1.460 nan 8.190 nan 0.000 0.458 46 A N -1.379 121.438 122.820 -0.005 0.000 2.515 46 A HA 0.588 4.941 4.320 0.055 0.000 0.296 46 A C 0.757 178.359 177.584 0.030 0.000 1.094 46 A CA -0.553 51.488 52.037 0.007 0.000 0.718 46 A CB 1.255 20.259 19.000 0.007 0.000 1.307 46 A HN 0.001 nan 8.150 nan 0.000 0.408 47 R N -0.396 120.129 120.500 0.043 0.000 2.193 47 R HA 0.054 4.426 4.340 0.055 0.000 0.213 47 R C -0.100 176.278 176.300 0.130 0.000 1.055 47 R CA 1.177 57.325 56.100 0.080 0.000 0.995 47 R CB 0.266 30.611 30.300 0.075 0.000 0.893 47 R HN 0.780 nan 8.270 nan 0.000 0.459 48 E N 0.030 120.280 120.200 0.084 0.000 2.263 48 E HA 0.270 4.653 4.350 0.055 0.000 0.268 48 E C -1.784 174.798 176.600 -0.029 0.000 0.884 48 E CA -0.552 55.878 56.400 0.051 0.000 0.766 48 E CB 2.196 31.921 29.700 0.042 0.000 1.196 48 E HN -0.169 nan 8.360 nan 0.000 0.416 49 V N 4.199 124.066 119.914 -0.079 0.000 2.588 49 V HA 0.441 4.594 4.120 0.055 0.000 0.304 49 V C -0.687 175.309 176.094 -0.164 0.000 1.042 49 V CA -0.809 61.439 62.300 -0.086 0.000 0.877 49 V CB 1.886 33.693 31.823 -0.028 0.000 0.996 49 V HN 0.518 nan 8.190 nan 0.000 0.425 50 V N 6.131 125.957 119.914 -0.146 0.000 2.407 50 V HA 0.463 4.616 4.120 0.055 0.000 0.291 50 V C -0.283 175.733 176.094 -0.129 0.000 1.018 50 V CA -0.456 61.737 62.300 -0.177 0.000 0.842 50 V CB 1.647 33.363 31.823 -0.179 0.000 0.996 50 V HN 0.647 nan 8.190 nan 0.000 0.426 51 L N 5.573 126.722 121.223 -0.124 0.000 2.265 51 L HA 0.596 4.969 4.340 0.055 0.000 0.288 51 L C -0.537 176.258 176.870 -0.126 0.000 1.058 51 L CA -0.447 54.332 54.840 -0.101 0.000 0.809 51 L CB 1.644 43.665 42.059 -0.064 0.000 1.179 51 L HN 0.371 nan 8.230 nan 0.000 0.429 52 V N 3.014 122.840 119.914 -0.147 0.000 2.487 52 V HA 0.526 4.679 4.120 0.055 0.000 0.298 52 V C -0.649 175.328 176.094 -0.194 0.000 1.028 52 V CA -0.523 61.646 62.300 -0.219 0.000 0.860 52 V CB 1.957 33.582 31.823 -0.330 0.000 0.991 52 V HN 0.708 nan 8.190 nan 0.000 0.427 53 D N 3.214 123.505 120.400 -0.182 0.000 2.803 53 D HA 0.228 4.901 4.640 0.055 0.000 0.218 53 D C 0.620 176.855 176.300 -0.108 0.000 1.245 53 D CA -0.623 53.304 54.000 -0.121 0.000 0.821 53 D CB 2.556 43.317 40.800 -0.065 0.000 1.626 53 D HN 0.291 nan 8.370 nan 0.000 0.487 54 L N 1.291 122.469 121.223 -0.074 0.000 2.010 54 L HA -0.172 4.201 4.340 0.055 0.000 0.219 54 L C 0.856 177.703 176.870 -0.038 0.000 1.077 54 L CA 1.867 56.681 54.840 -0.044 0.000 0.773 54 L CB -0.392 41.660 42.059 -0.012 0.000 0.892 54 L HN 0.548 nan 8.230 nan 0.000 0.436 55 D N -0.195 120.186 120.400 -0.031 0.000 2.455 55 D HA -0.009 4.664 4.640 0.055 0.000 0.234 55 D C 1.371 177.652 176.300 -0.032 0.000 1.224 55 D CA 0.016 54.001 54.000 -0.025 0.000 0.999 55 D CB 0.688 41.479 40.800 -0.015 0.000 1.072 55 D HN -0.073 nan 8.370 nan 0.000 0.514 56 R N 1.325 121.802 120.500 -0.038 0.000 2.133 56 R HA -0.156 4.217 4.340 0.055 0.000 0.247 56 R C 1.978 178.258 176.300 -0.032 0.000 1.151 56 R CA 1.350 57.425 56.100 -0.043 0.000 0.971 56 R CB 0.020 30.298 30.300 -0.037 0.000 0.866 56 R HN 0.100 nan 8.270 nan 0.000 0.447 57 K N -0.715 119.669 120.400 -0.027 0.000 2.352 57 K HA 0.157 4.510 4.320 0.055 0.000 0.194 57 K C 1.739 178.318 176.600 -0.034 0.000 1.038 57 K CA 0.519 56.790 56.287 -0.027 0.000 1.023 57 K CB -0.315 32.169 32.500 -0.026 0.000 0.840 57 K HN 0.164 nan 8.250 nan 0.000 0.519 58 L N 1.372 122.578 121.223 -0.028 0.000 2.012 58 L HA -0.068 4.305 4.340 0.055 0.000 0.210 58 L C 2.314 179.203 176.870 0.033 0.000 1.073 58 L CA 2.350 57.178 54.840 -0.020 0.000 0.748 58 L CB -0.793 41.275 42.059 0.015 0.000 0.891 58 L HN 0.251 nan 8.230 nan 0.000 0.431 59 A N -1.354 121.482 122.820 0.026 0.000 1.933 59 A HA -0.247 4.106 4.320 0.055 0.000 0.218 59 A C 2.231 179.833 177.584 0.031 0.000 1.175 59 A CA 1.808 53.866 52.037 0.035 0.000 0.628 59 A CB -0.544 18.440 19.000 -0.027 0.000 0.814 59 A HN 0.655 nan 8.150 nan 0.000 0.444 60 Q N -0.809 118.992 119.800 0.002 0.000 2.079 60 Q HA -0.023 4.350 4.340 0.055 0.000 0.200 60 Q C 2.449 178.453 176.000 0.007 0.000 0.974 60 Q CA 1.249 57.054 55.803 0.004 0.000 0.840 60 Q CB -0.343 28.393 28.738 -0.004 0.000 0.898 60 Q HN 0.682 nan 8.270 nan 0.000 0.430 61 A N 0.294 123.091 122.820 -0.037 0.000 1.858 61 A HA -0.247 4.106 4.320 0.055 0.000 0.216 61 A C 1.565 179.096 177.584 -0.089 0.000 1.190 61 A CA 1.821 53.805 52.037 -0.088 0.000 0.617 61 A CB -0.938 17.956 19.000 -0.175 0.000 0.827 61 A HN 0.415 nan 8.150 nan 0.000 0.443 62 H N -0.581 118.476 119.070 -0.022 0.000 2.290 62 H HA -0.047 4.539 4.556 0.050 0.000 0.298 62 H C 2.503 177.839 175.328 0.013 0.000 1.087 62 H CA 1.702 57.736 56.048 -0.022 0.000 1.291 62 H CB -0.095 29.642 29.762 -0.042 0.000 1.369 62 H HN 0.535 nan 8.280 nan 0.000 0.492 63 A N 0.609 123.513 122.820 0.141 0.000 1.940 63 A HA -0.245 4.108 4.320 0.055 0.000 0.219 63 A C 2.165 179.824 177.584 0.125 0.000 1.176 63 A CA 1.960 54.058 52.037 0.102 0.000 0.631 63 A CB -0.387 18.639 19.000 0.043 0.000 0.814 63 A HN 0.557 nan 8.150 nan 0.000 0.446 64 E N -0.843 119.429 120.200 0.121 0.000 2.158 64 E HA -0.176 4.207 4.350 0.055 0.000 0.191 64 E C 1.521 178.292 176.600 0.284 0.000 0.982 64 E CA 0.837 57.342 56.400 0.175 0.000 0.823 64 E CB -0.057 29.733 29.700 0.150 0.000 0.766 64 E HN 0.566 nan 8.360 nan 0.000 0.468 65 D N 0.550 121.055 120.400 0.176 0.000 2.097 65 D HA -0.134 4.539 4.640 0.055 0.000 0.195 65 D C 1.861 178.294 176.300 0.221 0.000 0.989 65 D CA 1.005 55.092 54.000 0.144 0.000 0.827 65 D CB -0.073 40.743 40.800 0.026 0.000 0.966 65 D HN 0.213 nan 8.370 nan 0.000 0.456 66 I N -0.165 120.529 120.570 0.206 0.000 2.353 66 I HA -0.182 4.021 4.170 0.055 0.000 0.248 66 I C 2.167 178.440 176.117 0.259 0.000 1.119 66 I CA 0.200 61.658 61.300 0.264 0.000 1.417 66 I CB -0.036 38.118 38.000 0.257 0.000 1.078 66 I HN 0.091 nan 8.210 nan 0.000 0.421 67 L N 0.333 121.679 121.223 0.206 0.000 2.127 67 L HA -0.252 4.121 4.340 0.055 0.000 0.211 67 L C 2.486 179.399 176.870 0.071 0.000 1.089 67 L CA 1.947 56.866 54.840 0.132 0.000 0.757 67 L CB -0.949 41.165 42.059 0.091 0.000 0.899 67 L HN 0.309 nan 8.230 nan 0.000 0.434 68 H N -1.455 117.702 119.070 0.145 0.000 2.543 68 H HA 0.028 4.653 4.556 0.114 0.000 0.286 68 H C 1.882 177.373 175.328 0.273 0.000 1.037 68 H CA 0.987 57.137 56.048 0.169 0.000 1.250 68 H CB 0.198 30.053 29.762 0.155 0.000 1.373 68 H HN 0.474 nan 8.280 nan 0.000 0.580 69 A N 0.541 123.587 122.820 0.378 0.000 2.044 69 A HA -0.066 4.287 4.320 0.055 0.000 0.213 69 A C 2.562 180.334 177.584 0.314 0.000 1.169 69 A CA 0.942 53.246 52.037 0.445 0.000 0.724 69 A CB -0.425 18.860 19.000 0.473 0.000 0.840 69 A HN 0.456 nan 8.150 nan 0.000 0.463 70 T N -1.534 113.120 114.554 0.166 0.000 2.833 70 T HA -0.060 4.323 4.350 0.055 0.000 0.269 70 T C -0.456 174.214 174.700 -0.050 0.000 1.054 70 T CA 1.396 63.539 62.100 0.072 0.000 1.135 70 T CB -1.486 67.426 68.868 0.074 0.000 0.869 70 T HN 0.326 nan 8.240 nan 0.000 0.466 71 P HA 0.047 nan 4.420 nan 0.000 0.222 71 P C 0.468 177.467 177.300 -0.501 0.000 1.147 71 P CA 0.690 63.537 63.100 -0.422 0.000 0.790 71 P CB -0.358 30.948 31.700 -0.658 0.000 0.780 72 F N -2.025 117.917 119.950 -0.013 0.000 2.660 72 F HA 0.443 5.003 4.527 0.055 0.000 0.302 72 F C 1.575 177.317 175.800 -0.097 0.000 1.103 72 F CA -0.058 57.921 58.000 -0.034 0.000 1.340 72 F CB -0.315 38.684 39.000 -0.002 0.000 1.048 72 F HN -0.054 nan 8.300 nan 0.000 0.551 73 A N -1.198 121.591 122.820 -0.053 0.000 1.681 73 A HA 0.474 4.827 4.320 0.055 0.000 0.160 73 A C -0.790 176.505 177.584 -0.481 0.000 1.621 73 A CA -0.146 51.728 52.037 -0.271 0.000 1.937 73 A CB 0.506 19.402 19.000 -0.174 0.000 1.902 73 A HN 0.254 nan 8.150 nan 0.000 1.132 74 H N -0.471 118.606 119.070 0.013 0.000 2.821 74 H HA 0.512 5.099 4.556 0.052 0.000 0.373 74 H C -2.833 172.500 175.328 0.007 0.000 1.165 74 H CA -2.086 53.966 56.048 0.006 0.000 1.154 74 H CB 1.610 31.377 29.762 0.009 0.000 1.765 74 H HN 0.195 nan 8.280 nan 0.000 0.549 75 P HA 0.044 nan 4.420 nan 0.000 0.267 75 P C -1.057 176.304 177.300 0.102 0.000 1.328 75 P CA 0.218 63.364 63.100 0.076 0.000 0.990 75 P CB 0.064 31.792 31.700 0.046 0.000 1.168 76 V N 4.636 124.623 119.914 0.122 0.000 2.569 76 V HA 0.257 4.410 4.120 0.055 0.000 0.301 76 V C -0.934 175.300 176.094 0.234 0.000 1.044 76 V CA -0.657 61.737 62.300 0.156 0.000 0.874 76 V CB 2.140 34.045 31.823 0.136 0.000 1.002 76 V HN 0.444 nan 8.190 nan 0.000 0.424 77 W N 6.836 128.146 121.300 0.016 0.000 2.433 77 W HA 0.601 5.232 4.660 -0.049 0.000 0.331 77 W C -0.657 175.873 176.519 0.019 0.000 1.110 77 W CA -0.877 56.475 57.345 0.011 0.000 1.450 77 W CB 0.883 30.344 29.460 0.003 0.000 1.348 77 W HN 0.338 nan 8.180 nan 0.000 0.415 78 V N 8.493 128.513 119.914 0.176 0.000 2.407 78 V HA 0.573 4.726 4.120 0.055 0.000 0.278 78 V C 0.248 176.256 176.094 -0.144 0.000 1.037 78 V CA -0.667 61.620 62.300 -0.022 0.000 0.900 78 V CB 0.944 32.818 31.823 0.084 0.000 0.983 78 V HN 0.468 nan 8.190 nan 0.000 0.459 79 R N 3.786 124.105 120.500 -0.301 0.000 2.764 79 R HA 0.912 5.285 4.340 0.055 0.000 0.270 79 R C -0.643 175.550 176.300 -0.177 0.000 1.014 79 R CA -0.732 55.215 56.100 -0.255 0.000 0.904 79 R CB 1.995 31.997 30.300 -0.498 0.000 1.236 79 R HN 0.607 nan 8.270 nan 0.000 0.466 84 S N -1.099 114.512 115.700 -0.148 0.000 2.758 84 S HA 0.543 5.046 4.470 0.055 0.000 0.292 84 S C 0.906 175.402 174.600 -0.174 0.000 1.131 84 S CA -0.539 57.545 58.200 -0.194 0.000 0.997 84 S CB 1.012 64.158 63.200 -0.090 0.000 1.111 84 S HN 0.543 nan 8.310 nan 0.000 0.552 85 Y N 0.916 121.186 120.300 -0.050 0.000 2.207 85 Y HA 0.016 4.602 4.550 0.060 0.000 0.287 85 Y C 2.749 178.620 175.900 -0.048 0.000 1.156 85 Y CA 1.551 59.619 58.100 -0.054 0.000 1.182 85 Y CB -1.231 37.198 38.460 -0.051 0.000 0.979 85 Y HN 0.871 nan 8.280 nan 0.000 0.521 86 G N -0.297 108.568 108.800 0.108 0.000 2.450 86 G HA2 -0.226 3.767 3.960 0.055 0.000 0.220 86 G HA3 -0.226 3.767 3.960 0.055 0.000 0.220 86 G C 1.208 176.115 174.900 0.013 0.000 1.130 86 G CA 1.277 46.407 45.100 0.050 0.000 0.760 86 G HN 0.348 nan 8.290 nan 0.000 0.557 87 D N 0.213 120.603 120.400 -0.017 0.000 2.363 87 D HA 0.036 4.709 4.640 0.055 0.000 0.226 87 D C 1.989 178.255 176.300 -0.057 0.000 1.020 87 D CA 0.131 54.100 54.000 -0.052 0.000 0.892 87 D CB 0.226 40.969 40.800 -0.096 0.000 0.900 87 D HN 0.327 nan 8.370 nan 0.000 0.531 88 L N 0.680 121.889 121.223 -0.022 0.000 2.612 88 L HA 0.040 4.413 4.340 0.055 0.000 0.230 88 L C 1.089 177.954 176.870 -0.009 0.000 1.140 88 L CA -0.046 54.785 54.840 -0.016 0.000 0.896 88 L CB -0.097 41.976 42.059 0.023 0.000 1.065 88 L HN -0.157 nan 8.230 nan 0.000 0.447 89 E N 1.471 121.667 120.200 -0.007 0.000 2.652 89 E HA -0.085 4.298 4.350 0.055 0.000 0.255 89 E C 1.198 177.796 176.600 -0.004 0.000 0.952 89 E CA 1.062 57.461 56.400 -0.002 0.000 0.947 89 E CB 0.584 30.285 29.700 0.001 0.000 0.912 89 E HN 0.432 nan 8.360 nan 0.000 0.489 90 G N 3.182 111.981 108.800 -0.001 0.000 2.175 90 G HA2 -0.348 3.645 3.960 0.055 0.000 0.265 90 G HA3 -0.348 3.645 3.960 0.055 0.000 0.265 90 G C 0.463 175.361 174.900 -0.003 0.000 0.979 90 G CA 0.515 45.615 45.100 0.000 0.000 0.663 90 G HN 0.881 nan 8.290 nan 0.000 0.533 91 A N -0.180 122.634 122.820 -0.009 0.000 2.524 91 A HA 0.553 4.906 4.320 0.055 0.000 0.250 91 A C 1.355 178.934 177.584 -0.009 0.000 1.078 91 A CA 0.974 53.003 52.037 -0.013 0.000 0.761 91 A CB 0.082 19.070 19.000 -0.019 0.000 1.012 91 A HN 0.531 nan 8.150 nan 0.000 0.500 92 R N 1.350 121.845 120.500 -0.008 0.000 2.240 92 R HA 0.238 4.611 4.340 0.055 0.000 0.203 92 R C 0.390 176.684 176.300 -0.009 0.000 1.011 92 R CA 1.041 57.137 56.100 -0.006 0.000 1.007 92 R CB 0.161 30.459 30.300 -0.003 0.000 0.911 92 R HN 0.789 nan 8.270 nan 0.000 0.468 93 A N 0.259 123.070 122.820 -0.014 0.000 2.517 93 A HA 0.523 4.876 4.320 0.055 0.000 0.297 93 A C -1.262 176.309 177.584 -0.022 0.000 1.050 93 A CA -0.566 51.461 52.037 -0.017 0.000 0.694 93 A CB 1.929 20.916 19.000 -0.021 0.000 1.277 93 A HN -0.049 nan 8.150 nan 0.000 0.400 94 V N 2.804 122.704 119.914 -0.023 0.000 2.407 94 V HA 0.367 4.520 4.120 0.055 0.000 0.291 94 V C -0.127 175.948 176.094 -0.032 0.000 1.018 94 V CA -0.626 61.658 62.300 -0.028 0.000 0.842 94 V CB 1.572 33.379 31.823 -0.026 0.000 0.996 94 V HN 0.716 nan 8.190 nan 0.000 0.426 95 V N 6.697 126.591 119.914 -0.033 0.000 2.488 95 V HA 0.293 4.446 4.120 0.055 0.000 0.277 95 V C 0.114 176.182 176.094 -0.042 0.000 1.046 95 V CA -0.191 62.092 62.300 -0.028 0.000 0.986 95 V CB 1.197 33.007 31.823 -0.023 0.000 0.989 95 V HN 0.624 nan 8.190 nan 0.000 0.475 96 L N 5.098 126.299 121.223 -0.037 0.000 2.283 96 L HA 0.602 4.975 4.340 0.055 0.000 0.281 96 L C 0.604 177.499 176.870 0.040 0.000 1.033 96 L CA -0.192 54.599 54.840 -0.081 0.000 0.848 96 L CB 1.014 42.923 42.059 -0.250 0.000 1.226 96 L HN 0.726 nan 8.230 nan 0.000 0.429 97 A N 2.439 125.271 122.820 0.019 0.000 2.749 97 A HA 0.719 5.072 4.320 0.055 0.000 0.299 97 A C 0.702 178.323 177.584 0.060 0.000 1.105 97 A CA -0.121 51.952 52.037 0.059 0.000 0.987 97 A CB 0.203 19.212 19.000 0.015 0.000 1.180 97 A HN 0.666 nan 8.150 nan 0.000 0.528 98 A N -0.343 122.527 122.820 0.083 0.000 2.275 98 A HA 0.882 5.235 4.320 0.055 0.000 0.282 98 A C 1.014 178.707 177.584 0.183 0.000 1.275 98 A CA 0.342 52.428 52.037 0.081 0.000 0.842 98 A CB -0.126 18.864 19.000 -0.016 0.000 1.280 98 A HN 2.230 nan 8.150 nan 0.000 0.508 99 G N -3.181 105.715 108.800 0.159 0.000 2.362 99 G HA2 0.461 4.454 3.960 0.055 0.000 0.517 99 G HA3 0.461 4.454 3.960 0.055 0.000 0.517 99 G C -0.470 174.474 174.900 0.074 0.000 1.256 99 G CA 0.190 45.373 45.100 0.138 0.000 1.027 99 G HN 2.273 nan 8.290 nan 0.000 0.491 100 V N -2.888 117.058 119.914 0.053 0.000 3.001 100 V HA 0.967 5.120 4.120 0.055 0.000 0.314 100 V C 0.632 176.739 176.094 0.023 0.000 1.099 100 V CA -0.253 62.067 62.300 0.034 0.000 0.989 100 V CB 1.486 33.328 31.823 0.032 0.000 1.040 100 V HN 2.660 nan 8.190 nan 0.000 0.434 101 A N 2.077 124.906 122.820 0.014 0.000 2.410 101 A HA 0.375 4.728 4.320 0.055 0.000 0.292 101 A C 0.405 177.995 177.584 0.010 0.000 1.232 101 A CA -0.039 52.003 52.037 0.008 0.000 0.893 101 A CB -0.322 18.680 19.000 0.002 0.000 1.131 101 A HN 1.074 nan 8.150 nan 0.000 0.530 102 Q N 1.907 121.713 119.800 0.011 0.000 2.427 102 Q HA 0.021 4.394 4.340 0.055 0.000 0.310 102 Q C 0.155 176.160 176.000 0.008 0.000 1.167 102 Q CA 0.991 56.800 55.803 0.010 0.000 0.991 102 Q CB 0.411 29.156 28.738 0.011 0.000 1.287 102 Q HN 0.795 nan 8.270 nan 0.000 0.443 106 G N 1.232 110.037 108.800 0.009 0.000 2.189 106 G HA2 -0.296 3.697 3.960 0.055 0.000 0.267 106 G HA3 -0.296 3.697 3.960 0.055 0.000 0.267 106 G C 0.241 175.147 174.900 0.010 0.000 0.975 106 G CA 0.630 45.735 45.100 0.010 0.000 0.644 106 G HN 0.885 nan 8.290 nan 0.000 0.537 107 E N 1.201 121.407 120.200 0.010 0.000 2.265 107 E HA 0.417 4.799 4.350 0.055 0.000 0.272 107 E C 0.969 177.576 176.600 0.011 0.000 1.067 107 E CA 0.282 56.688 56.400 0.010 0.000 0.900 107 E CB 0.269 29.975 29.700 0.010 0.000 1.017 107 E HN 0.191 nan 8.360 nan 0.000 0.431 108 T N 2.614 117.176 114.554 0.012 0.000 2.726 108 T HA 0.210 4.593 4.350 0.055 0.000 0.294 108 T C 1.547 176.254 174.700 0.012 0.000 1.013 108 T CA 0.556 62.663 62.100 0.013 0.000 0.996 108 T CB 0.931 69.807 68.868 0.013 0.000 1.016 108 T HN 0.686 nan 8.240 nan 0.000 0.529 109 R N 0.862 121.370 120.500 0.013 0.000 2.070 109 R HA 0.020 4.393 4.340 0.055 0.000 0.232 109 R C 2.453 178.758 176.300 0.009 0.000 1.138 109 R CA 2.124 58.231 56.100 0.011 0.000 0.936 109 R CB -1.786 nan 30.300 nan 0.000 0.839 109 R HN 0.666 nan 8.270 nan 0.000 0.429 110 L N 0.892 122.123 121.223 0.013 0.000 2.131 110 L HA -0.111 4.262 4.340 0.055 0.000 0.210 110 L C 2.431 179.309 176.870 0.013 0.000 1.092 110 L CA 2.112 56.962 54.840 0.016 0.000 0.759 110 L CB -0.413 41.659 42.059 0.022 0.000 0.903 110 L HN 0.571 nan 8.230 nan 0.000 0.435 111 Q N -1.190 118.618 119.800 0.012 0.000 2.079 111 Q HA -0.193 4.180 4.340 0.055 0.000 0.200 111 Q C 2.133 178.139 176.000 0.010 0.000 0.974 111 Q CA 1.719 57.529 55.803 0.012 0.000 0.840 111 Q CB -0.276 28.469 28.738 0.012 0.000 0.898 111 Q HN 0.496 nan 8.270 nan 0.000 0.430 112 L N 0.376 121.604 121.223 0.007 0.000 2.109 112 L HA -0.106 4.267 4.340 0.055 0.000 0.207 112 L C 1.952 178.820 176.870 -0.004 0.000 1.086 112 L CA 1.265 56.108 54.840 0.005 0.000 0.760 112 L CB -0.593 41.469 42.059 0.005 0.000 0.910 112 L HN 0.201 nan 8.230 nan 0.000 0.437 113 L N -0.232 120.986 121.223 -0.009 0.000 2.017 113 L HA -0.203 4.169 4.340 0.055 0.000 0.208 113 L C 2.059 178.916 176.870 -0.022 0.000 1.073 113 L CA 1.930 56.753 54.840 -0.028 0.000 0.745 113 L CB -0.938 41.112 42.059 -0.016 0.000 0.894 113 L HN 0.303 nan 8.230 nan 0.000 0.432 114 D N -0.682 119.721 120.400 0.005 0.000 2.144 114 D HA -0.165 4.507 4.640 0.055 0.000 0.199 114 D C 2.319 178.634 176.300 0.025 0.000 0.984 114 D CA 1.167 55.181 54.000 0.025 0.000 0.834 114 D CB -0.108 40.707 40.800 0.025 0.000 0.955 114 D HN 0.374 nan 8.370 nan 0.000 0.465 115 R N 0.383 120.894 120.500 0.018 0.000 2.073 115 R HA -0.047 4.326 4.340 0.055 0.000 0.234 115 R C 2.050 178.371 176.300 0.035 0.000 1.134 115 R CA 1.258 57.375 56.100 0.028 0.000 0.952 115 R CB -0.342 29.972 30.300 0.024 0.000 0.850 115 R HN 0.268 nan 8.270 nan 0.000 0.433 116 N N 0.392 119.097 118.700 0.008 0.000 2.188 116 N HA -0.115 4.658 4.740 0.055 0.000 0.184 116 N C 1.796 177.288 175.510 -0.031 0.000 1.018 116 N CA 0.822 53.875 53.050 0.005 0.000 0.858 116 N CB -0.085 38.360 38.487 -0.070 0.000 0.989 116 N HN 0.217 nan 8.380 nan 0.000 0.426 117 A N 1.069 123.836 122.820 -0.089 0.000 1.948 117 A HA -0.209 4.144 4.320 0.055 0.000 0.220 117 A C 2.037 179.658 177.584 0.061 0.000 1.177 117 A CA 1.364 53.345 52.037 -0.092 0.000 0.636 117 A CB -0.263 18.734 19.000 -0.005 0.000 0.815 117 A HN 0.234 nan 8.150 nan 0.000 0.449 118 Q N -0.674 119.177 119.800 0.086 0.000 2.269 118 Q HA 0.018 4.391 4.340 0.055 0.000 0.201 118 Q C 2.257 178.327 176.000 0.117 0.000 0.946 118 Q CA 1.086 56.951 55.803 0.102 0.000 0.877 118 Q CB -0.732 28.050 28.738 0.074 0.000 0.963 118 Q HN 0.483 nan 8.270 nan 0.000 0.472 119 V N 0.717 120.718 119.914 0.145 0.000 2.295 119 V HA -0.226 3.927 4.120 0.055 0.000 0.246 119 V C 1.997 178.215 176.094 0.206 0.000 1.049 119 V CA 1.597 63.999 62.300 0.169 0.000 1.024 119 V CB -0.633 31.309 31.823 0.200 0.000 0.648 119 V HN 0.139 nan 8.190 nan 0.000 0.447 120 F N 0.808 120.745 119.950 -0.022 0.000 2.171 120 F HA -0.139 4.422 4.527 0.056 0.000 0.300 120 F C 2.400 178.174 175.800 -0.043 0.000 1.090 120 F CA 1.092 59.065 58.000 -0.045 0.000 1.293 120 F CB -1.129 37.814 39.000 -0.096 0.000 1.013 120 F HN 0.112 nan 8.300 nan 0.000 0.486 121 A N -0.519 122.399 122.820 0.164 0.000 2.024 121 A HA -0.197 4.156 4.320 0.055 0.000 0.220 121 A C 2.111 179.711 177.584 0.027 0.000 1.164 121 A CA 1.553 53.648 52.037 0.096 0.000 0.643 121 A CB -0.392 18.677 19.000 0.116 0.000 0.806 121 A HN 0.379 nan 8.150 nan 0.000 0.451 122 Q N -0.857 118.955 119.800 0.019 0.000 2.259 122 Q HA 0.068 4.441 4.340 0.055 0.000 0.201 122 Q C 2.222 178.151 176.000 -0.118 0.000 0.938 122 Q CA 1.171 56.956 55.803 -0.031 0.000 0.872 122 Q CB -0.845 27.900 28.738 0.012 0.000 0.971 122 Q HN 0.450 nan 8.270 nan 0.000 0.494 123 V N 0.953 120.801 119.914 -0.111 0.000 2.283 123 V HA -0.176 3.976 4.120 0.055 0.000 0.243 123 V C 2.502 178.424 176.094 -0.286 0.000 1.039 123 V CA 1.265 63.448 62.300 -0.195 0.000 1.016 123 V CB -0.576 31.113 31.823 -0.224 0.000 0.650 123 V HN 0.053 nan 8.190 nan 0.000 0.449 124 V N 0.710 120.487 119.914 -0.227 0.000 2.252 124 V HA -0.191 3.962 4.120 0.055 0.000 0.249 124 V C 0.154 176.139 176.094 -0.182 0.000 1.056 124 V CA 2.804 64.993 62.300 -0.186 0.000 1.022 124 V CB -1.994 29.767 31.823 -0.104 0.000 0.641 124 V HN 0.535 nan 8.190 nan 0.000 0.445 125 P HA -0.127 nan 4.420 nan 0.000 0.216 125 P C 1.597 178.762 177.300 -0.225 0.000 1.153 125 P CA 1.286 64.290 63.100 -0.159 0.000 0.848 125 P CB -0.162 31.461 31.700 -0.128 0.000 0.787 126 R N -0.376 119.896 120.500 -0.380 0.000 2.066 126 R HA -0.035 4.338 4.340 0.055 0.000 0.232 126 R C 2.241 178.279 176.300 -0.437 0.000 1.131 126 R CA 1.043 56.804 56.100 -0.565 0.000 0.955 126 R CB -1.826 27.690 30.300 -1.307 0.000 0.851 126 R HN 0.163 nan 8.270 nan 0.000 0.432 127 V N 1.744 121.433 119.914 -0.376 0.000 2.255 127 V HA -0.225 3.928 4.120 0.055 0.000 0.247 127 V C 2.399 178.439 176.094 -0.090 0.000 1.051 127 V CA 1.539 63.765 62.300 -0.124 0.000 1.018 127 V CB -0.480 31.296 31.823 -0.079 0.000 0.641 127 V HN 0.124 nan 8.190 nan 0.000 0.445 128 L N -0.287 120.873 121.223 -0.106 0.000 2.265 128 L HA -0.134 4.239 4.340 0.055 0.000 0.215 128 L C 2.332 179.164 176.870 -0.063 0.000 1.117 128 L CA 1.580 56.377 54.840 -0.071 0.000 0.782 128 L CB -1.131 40.886 42.059 -0.070 0.000 0.914 128 L HN 0.450 nan 8.230 nan 0.000 0.441 129 E N -1.037 119.112 120.200 -0.084 0.000 2.072 129 E HA -0.153 4.230 4.350 0.055 0.000 0.190 129 E C 2.155 178.732 176.600 -0.038 0.000 0.982 129 E CA 1.029 57.390 56.400 -0.065 0.000 0.803 129 E CB 0.130 29.779 29.700 -0.086 0.000 0.755 129 E HN 0.480 nan 8.360 nan 0.000 0.453 130 A N 0.633 123.435 122.820 -0.030 0.000 1.935 130 A HA 0.295 4.648 4.320 0.055 0.000 0.214 130 A C 1.057 178.638 177.584 -0.005 0.000 1.178 130 A CA 0.970 53.006 52.037 -0.002 0.000 0.640 130 A CB 0.116 19.135 19.000 0.032 0.000 0.825 130 A HN 0.248 nan 8.150 nan 0.000 0.447 131 A N -1.313 121.500 122.820 -0.011 0.000 2.413 131 A HA 0.563 4.916 4.320 0.055 0.000 0.307 131 A C 0.253 177.827 177.584 -0.016 0.000 1.087 131 A CA -0.462 51.569 52.037 -0.010 0.000 0.750 131 A CB 0.597 19.593 19.000 -0.007 0.000 1.296 131 A HN 0.150 nan 8.150 nan 0.000 0.423 132 E N -0.477 119.719 120.200 -0.006 0.000 2.418 132 E HA -0.275 4.108 4.350 0.055 0.000 0.256 132 E C 0.733 177.332 176.600 -0.001 0.000 1.575 132 E CA 1.203 57.602 56.400 -0.002 0.000 0.845 132 E CB -1.492 28.209 29.700 0.001 0.000 1.088 132 E HN 0.805 nan 8.360 nan 0.000 0.476 133 A N 0.341 123.158 122.820 -0.005 0.000 2.363 133 A HA 0.335 4.688 4.320 0.055 0.000 0.270 133 A C 0.488 178.071 177.584 -0.002 0.000 1.121 133 A CA -0.459 51.575 52.037 -0.006 0.000 0.800 133 A CB 0.887 19.880 19.000 -0.011 0.000 1.052 133 A HN -0.004 nan 8.150 nan 0.000 0.493 134 V N 3.501 123.415 119.914 -0.000 0.000 2.637 134 V HA 0.100 4.253 4.120 0.055 0.000 0.296 134 V C 0.298 176.391 176.094 -0.001 0.000 1.046 134 V CA 0.282 62.585 62.300 0.004 0.000 1.066 134 V CB 0.521 32.345 31.823 0.002 0.000 0.968 134 V HN 0.651 nan 8.190 nan 0.000 0.483 135 L N 5.820 127.048 121.223 0.008 0.000 2.282 135 L HA 0.473 4.846 4.340 0.055 0.000 0.288 135 L C -0.396 176.483 176.870 0.014 0.000 1.033 135 L CA -0.372 54.470 54.840 0.003 0.000 0.807 135 L CB 1.344 43.407 42.059 0.006 0.000 1.209 135 L HN 0.400 nan 8.230 nan 0.000 0.423 136 L N 5.433 126.658 121.223 0.003 0.000 2.318 136 L HA 0.462 4.835 4.340 0.055 0.000 0.277 136 L C -0.555 176.330 176.870 0.025 0.000 1.008 136 L CA -0.405 54.437 54.840 0.004 0.000 0.846 136 L CB 1.801 43.849 42.059 -0.019 0.000 1.220 136 L HN 0.266 nan 8.230 nan 0.000 0.423 137 V N 5.106 125.055 119.914 0.058 0.000 2.465 137 V HA 0.468 4.621 4.120 0.055 0.000 0.279 137 V C 0.978 177.124 176.094 0.087 0.000 1.045 137 V CA 0.130 62.502 62.300 0.120 0.000 0.938 137 V CB 1.252 33.187 31.823 0.187 0.000 0.986 137 V HN 0.921 nan 8.190 nan 0.000 0.467 138 A N 3.182 126.068 122.820 0.110 0.000 2.070 138 A HA 0.222 4.574 4.320 0.055 0.000 0.202 138 A C 1.161 178.799 177.584 0.090 0.000 1.277 138 A CA 0.155 52.234 52.037 0.071 0.000 0.872 138 A CB -0.013 19.019 19.000 0.053 0.000 0.933 138 A HN 0.656 nan 8.150 nan 0.000 0.475 139 T N 2.819 117.460 114.554 0.144 0.000 2.871 139 T HA 0.070 4.452 4.350 0.055 0.000 0.296 139 T C 0.040 174.761 174.700 0.035 0.000 0.998 139 T CA 0.084 62.249 62.100 0.109 0.000 1.162 139 T CB -0.041 68.935 68.868 0.179 0.000 0.947 139 T HN 0.334 nan 8.240 nan 0.000 0.536 140 N N 3.816 122.539 118.700 0.040 0.000 2.530 140 N HA 0.255 5.027 4.740 0.055 0.000 0.277 140 N C -2.461 173.038 175.510 -0.019 0.000 1.168 140 N CA -1.395 51.676 53.050 0.034 0.000 0.979 140 N CB 0.848 39.372 38.487 0.061 0.000 1.141 140 N HN 0.320 nan 8.380 nan 0.000 0.459 141 P HA 0.045 nan 4.420 nan 0.000 0.276 141 P C 0.983 178.289 177.300 0.009 0.000 1.235 141 P CA -0.252 62.854 63.100 0.009 0.000 0.772 141 P CB 1.026 32.723 31.700 -0.004 0.000 0.871 142 V N 2.981 122.942 119.914 0.077 0.000 2.548 142 V HA -0.167 3.986 4.120 0.055 0.000 0.249 142 V C 1.327 177.437 176.094 0.026 0.000 1.055 142 V CA 1.926 64.256 62.300 0.050 0.000 1.065 142 V CB -0.526 31.335 31.823 0.064 0.000 0.681 142 V HN 0.494 nan 8.190 nan 0.000 0.462 143 D N -0.472 119.954 120.400 0.043 0.000 2.117 143 D HA -0.129 4.544 4.640 0.055 0.000 0.198 143 D C 2.057 178.369 176.300 0.019 0.000 0.982 143 D CA 1.670 55.691 54.000 0.036 0.000 0.828 143 D CB -0.043 40.785 40.800 0.045 0.000 0.967 143 D HN 0.454 nan 8.370 nan 0.000 0.464 144 V N 1.031 120.940 119.914 -0.008 0.000 2.407 144 V HA -0.173 3.980 4.120 0.055 0.000 0.245 144 V C 2.118 178.135 176.094 -0.128 0.000 1.041 144 V CA 1.026 63.306 62.300 -0.033 0.000 1.040 144 V CB -0.162 31.642 31.823 -0.032 0.000 0.671 144 V HN 0.035 nan 8.190 nan 0.000 0.455 145 M N -0.268 119.214 119.600 -0.198 0.000 2.213 145 M HA -0.101 4.412 4.480 0.055 0.000 0.263 145 M C 2.142 178.331 176.300 -0.184 0.000 1.062 145 M CA 2.007 57.071 55.300 -0.394 0.000 1.105 145 M CB -2.013 30.280 32.600 -0.513 0.000 1.385 145 M HN 0.379 nan 8.290 nan 0.000 0.417 146 T N 0.225 114.760 114.554 -0.031 0.000 2.674 146 T HA -0.216 4.167 4.350 0.055 0.000 0.265 146 T C 1.826 176.591 174.700 0.109 0.000 1.039 146 T CA 1.797 63.939 62.100 0.070 0.000 1.150 146 T CB -0.198 68.712 68.868 0.069 0.000 0.864 146 T HN 0.446 nan 8.240 nan 0.000 0.427 147 Q N 0.512 120.375 119.800 0.103 0.000 2.096 147 Q HA -0.112 4.261 4.340 0.055 0.000 0.204 147 Q C 2.229 178.279 176.000 0.083 0.000 0.982 147 Q CA 1.425 57.349 55.803 0.201 0.000 0.850 147 Q CB -0.365 28.506 28.738 0.221 0.000 0.901 147 Q HN 0.334 nan 8.270 nan 0.000 0.422 148 V N 0.773 120.573 119.914 -0.189 0.000 2.295 148 V HA -0.289 3.864 4.120 0.055 0.000 0.246 148 V C 2.320 178.282 176.094 -0.220 0.000 1.049 148 V CA 1.893 63.842 62.300 -0.586 0.000 1.024 148 V CB -1.101 30.179 31.823 -0.905 0.000 0.648 148 V HN 0.573 nan 8.190 nan 0.000 0.447 149 A N -1.132 121.699 122.820 0.017 0.000 1.969 149 A HA -0.221 4.132 4.320 0.055 0.000 0.218 149 A C 2.140 179.776 177.584 0.086 0.000 1.169 149 A CA 1.739 53.863 52.037 0.145 0.000 0.635 149 A CB -0.687 18.479 19.000 0.278 0.000 0.810 149 A HN 0.658 nan 8.150 nan 0.000 0.445 150 Y N 0.834 121.133 120.300 -0.002 0.000 2.114 150 Y HA -0.208 4.374 4.550 0.054 0.000 0.284 150 Y C 2.382 178.236 175.900 -0.078 0.000 1.143 150 Y CA 2.020 60.093 58.100 -0.045 0.000 1.135 150 Y CB -0.267 38.153 38.460 -0.067 0.000 0.980 150 Y HN 0.173 nan 8.280 nan 0.000 0.499 151 R N 0.421 120.704 120.500 -0.362 0.000 2.081 151 R HA -0.109 4.264 4.340 0.055 0.000 0.235 151 R C 2.413 178.579 176.300 -0.224 0.000 1.131 151 R CA 1.616 57.480 56.100 -0.393 0.000 0.960 151 R CB -1.188 29.146 30.300 0.057 0.000 0.856 151 R HN 0.450 nan 8.270 nan 0.000 0.436 152 L N 1.117 122.296 121.223 -0.074 0.000 2.141 152 L HA -0.132 4.241 4.340 0.055 0.000 0.209 152 L C 2.572 179.390 176.870 -0.086 0.000 1.094 152 L CA 1.482 56.305 54.840 -0.028 0.000 0.763 152 L CB -0.589 41.485 42.059 0.024 0.000 0.908 152 L HN 0.244 nan 8.230 nan 0.000 0.437 153 S N -0.076 115.556 115.700 -0.115 0.000 2.402 153 S HA -0.088 4.415 4.470 0.055 0.000 0.229 153 S C 1.771 176.301 174.600 -0.116 0.000 1.021 153 S CA 0.694 58.839 58.200 -0.092 0.000 0.974 153 S CB -0.657 62.514 63.200 -0.048 0.000 0.800 153 S HN 0.531 nan 8.310 nan 0.000 0.484 154 G N 1.138 109.820 108.800 -0.198 0.000 2.203 154 G HA2 -0.245 3.748 3.960 0.055 0.000 0.263 154 G HA3 -0.245 3.748 3.960 0.055 0.000 0.263 154 G C -0.026 174.811 174.900 -0.105 0.000 1.012 154 G CA 0.763 45.758 45.100 -0.176 0.000 0.749 154 G HN 0.577 nan 8.290 nan 0.000 0.512 155 L N -0.362 120.819 121.223 -0.071 0.000 2.448 155 L HA 0.518 4.891 4.340 0.055 0.000 0.258 155 L C -1.557 175.382 176.870 0.116 0.000 1.104 155 L CA -2.467 52.388 54.840 0.024 0.000 0.800 155 L CB 0.562 42.651 42.059 0.049 0.000 1.241 155 L HN -0.128 nan 8.230 nan 0.000 0.472 156 P HA 0.059 nan 4.420 nan 0.000 0.269 156 P C -2.102 175.310 177.300 0.186 0.000 1.209 156 P CA -0.975 62.212 63.100 0.147 0.000 0.776 156 P CB 0.027 31.778 31.700 0.084 0.000 0.876 157 P HA -0.101 nan 4.420 nan 0.000 0.226 157 P C 1.331 178.632 177.300 0.002 0.000 1.153 157 P CA 1.335 64.399 63.100 -0.061 0.000 0.777 157 P CB -0.276 31.315 31.700 -0.181 0.000 0.794 158 G N 0.338 109.162 108.800 0.040 0.000 2.534 158 G HA2 -0.162 3.830 3.960 0.055 0.000 0.217 158 G HA3 -0.162 3.830 3.960 0.055 0.000 0.217 158 G C 1.661 176.588 174.900 0.044 0.000 1.128 158 G CA 0.032 45.154 45.100 0.036 0.000 0.784 158 G HN 0.175 nan 8.290 nan 0.000 0.542 159 R N -0.225 120.313 120.500 0.063 0.000 2.313 159 R HA 0.131 4.504 4.340 0.055 0.000 0.199 159 R C -0.262 176.075 176.300 0.063 0.000 0.958 159 R CA 0.169 56.303 56.100 0.056 0.000 1.047 159 R CB 0.309 30.644 30.300 0.058 0.000 0.955 159 R HN 0.250 nan 8.270 nan 0.000 0.481 160 V N 1.615 121.579 119.914 0.083 0.000 2.409 160 V HA 0.306 4.459 4.120 0.055 0.000 0.290 160 V C -0.327 175.809 176.094 0.069 0.000 1.017 160 V CA -0.748 61.607 62.300 0.093 0.000 0.841 160 V CB 2.138 34.061 31.823 0.167 0.000 1.003 160 V HN -0.262 nan 8.190 nan 0.000 0.426 161 V N 3.406 123.349 119.914 0.047 0.000 2.540 161 V HA 0.839 4.992 4.120 0.055 0.000 0.302 161 V C 0.614 176.722 176.094 0.024 0.000 1.035 161 V CA -0.397 61.918 62.300 0.025 0.000 0.873 161 V CB 2.074 33.898 31.823 0.002 0.000 0.992 161 V HN 0.878 nan 8.190 nan 0.000 0.428 162 G N 1.457 110.267 108.800 0.016 0.000 2.400 162 G HA2 0.477 4.470 3.960 0.055 0.000 0.333 162 G HA3 0.477 4.470 3.960 0.055 0.000 0.333 162 G C 0.887 175.770 174.900 -0.030 0.000 1.143 162 G CA 0.236 45.341 45.100 0.009 0.000 0.914 162 G HN 0.858 nan 8.290 nan 0.000 0.480 163 S N 1.038 116.709 115.700 -0.048 0.000 2.382 163 S HA 0.145 4.648 4.470 0.055 0.000 0.228 163 S C 1.960 176.481 174.600 -0.132 0.000 1.027 163 S CA 1.129 59.275 58.200 -0.089 0.000 0.991 163 S CB -0.786 62.359 63.200 -0.092 0.000 0.823 163 S HN 2.323 nan 8.310 nan 0.000 0.469 164 G N 1.456 110.159 108.800 -0.162 0.000 2.556 164 G HA2 -0.359 3.634 3.960 0.055 0.000 0.283 164 G HA3 -0.359 3.634 3.960 0.055 0.000 0.283 164 G C 0.660 175.378 174.900 -0.303 0.000 1.177 164 G CA 1.240 46.245 45.100 -0.158 0.000 0.978 164 G HN 1.275 nan 8.290 nan 0.000 0.554 165 T N 0.118 114.599 114.554 -0.122 0.000 3.235 165 T HA 0.452 4.835 4.350 0.055 0.000 0.251 165 T C 2.346 177.027 174.700 -0.031 0.000 1.060 165 T CA 1.084 63.153 62.100 -0.053 0.000 0.949 165 T CB -0.448 68.433 68.868 0.022 0.000 1.020 165 T HN 1.262 nan 8.240 nan 0.000 0.564 166 I N -0.804 119.734 120.570 -0.053 0.000 2.264 166 I HA -0.095 4.107 4.170 0.055 0.000 0.248 166 I C 2.131 178.270 176.117 0.036 0.000 1.111 166 I CA 1.290 62.604 61.300 0.022 0.000 1.382 166 I CB -0.749 37.270 38.000 0.032 0.000 1.060 166 I HN 0.175 nan 8.210 nan 0.000 0.418 167 L N 0.936 122.164 121.223 0.008 0.000 2.141 167 L HA -0.127 4.246 4.340 0.055 0.000 0.209 167 L C 2.268 179.177 176.870 0.066 0.000 1.094 167 L CA 1.156 56.022 54.840 0.043 0.000 0.763 167 L CB -0.845 41.241 42.059 0.046 0.000 0.908 167 L HN 0.310 nan 8.230 nan 0.000 0.437 168 D N -0.552 119.892 120.400 0.073 0.000 2.123 168 D HA -0.122 4.551 4.640 0.055 0.000 0.200 168 D C 2.151 178.499 176.300 0.081 0.000 0.976 168 D CA 1.470 55.514 54.000 0.072 0.000 0.831 168 D CB -0.178 40.663 40.800 0.069 0.000 0.974 168 D HN 0.209 nan 8.370 nan 0.000 0.469 169 T N 1.204 115.811 114.554 0.088 0.000 2.665 169 T HA -0.174 4.209 4.350 0.055 0.000 0.268 169 T C 2.039 176.809 174.700 0.116 0.000 1.035 169 T CA 1.818 63.997 62.100 0.131 0.000 1.151 169 T CB -0.267 68.681 68.868 0.134 0.000 0.862 169 T HN 0.205 nan 8.240 nan 0.000 0.438 170 A N 1.180 124.050 122.820 0.084 0.000 1.930 170 A HA -0.033 4.320 4.320 0.055 0.000 0.217 170 A C 2.251 179.870 177.584 0.059 0.000 1.175 170 A CA 1.750 53.821 52.037 0.057 0.000 0.627 170 A CB -0.482 18.553 19.000 0.059 0.000 0.815 170 A HN 0.300 nan 8.150 nan 0.000 0.443 171 R N -1.104 119.445 120.500 0.082 0.000 2.081 171 R HA -0.100 4.273 4.340 0.055 0.000 0.235 171 R C 1.740 178.121 176.300 0.134 0.000 1.131 171 R CA 1.557 57.711 56.100 0.089 0.000 0.960 171 R CB -0.888 29.463 30.300 0.085 0.000 0.856 171 R HN 0.446 nan 8.270 nan 0.000 0.436 172 F N 1.096 121.007 119.950 -0.064 0.000 2.095 172 F HA -0.132 4.427 4.527 0.054 0.000 0.298 172 F C 1.978 177.697 175.800 -0.135 0.000 1.104 172 F CA 1.706 59.628 58.000 -0.130 0.000 1.232 172 F CB -0.485 38.400 39.000 -0.192 0.000 0.987 172 F HN -0.022 nan 8.300 nan 0.000 0.475 173 R N -0.158 120.272 120.500 -0.116 0.000 2.083 173 R HA -0.163 4.210 4.340 0.055 0.000 0.237 173 R C 2.456 178.683 176.300 -0.123 0.000 1.137 173 R CA 1.474 57.444 56.100 -0.217 0.000 0.951 173 R CB -0.854 29.359 30.300 -0.145 0.000 0.851 173 R HN 0.368 nan 8.270 nan 0.000 0.434 174 A N 1.024 123.821 122.820 -0.038 0.000 1.865 174 A HA -0.166 4.187 4.320 0.055 0.000 0.217 174 A C 2.171 179.762 177.584 0.012 0.000 1.191 174 A CA 1.316 53.350 52.037 -0.005 0.000 0.623 174 A CB -0.654 18.359 19.000 0.021 0.000 0.826 174 A HN 0.215 nan 8.150 nan 0.000 0.444 175 L N -0.685 120.560 121.223 0.036 0.000 2.083 175 L HA -0.163 4.209 4.340 0.055 0.000 0.209 175 L C 2.552 179.460 176.870 0.064 0.000 1.083 175 L CA 0.878 55.763 54.840 0.075 0.000 0.752 175 L CB -0.464 41.669 42.059 0.123 0.000 0.899 175 L HN 0.381 nan 8.230 nan 0.000 0.433 176 L N -0.595 120.602 121.223 -0.045 0.000 2.056 176 L HA -0.179 4.194 4.340 0.055 0.000 0.207 176 L C 2.846 179.735 176.870 0.032 0.000 1.078 176 L CA 1.136 55.938 54.840 -0.062 0.000 0.749 176 L CB -0.686 41.175 42.059 -0.331 0.000 0.901 176 L HN 0.237 nan 8.230 nan 0.000 0.433 177 A N -0.660 122.152 122.820 -0.012 0.000 1.930 177 A HA -0.220 4.133 4.320 0.055 0.000 0.217 177 A C 2.286 179.899 177.584 0.048 0.000 1.175 177 A CA 1.482 53.524 52.037 0.009 0.000 0.627 177 A CB -0.424 18.564 19.000 -0.020 0.000 0.815 177 A HN 0.417 nan 8.150 nan 0.000 0.443 178 E N -1.200 119.038 120.200 0.064 0.000 2.051 178 E HA -0.240 4.143 4.350 0.055 0.000 0.192 178 E C 1.856 178.516 176.600 0.100 0.000 0.991 178 E CA 1.685 58.130 56.400 0.074 0.000 0.799 178 E CB -0.309 29.441 29.700 0.083 0.000 0.748 178 E HN 0.754 nan 8.360 nan 0.000 0.449 179 Y N 0.379 120.702 120.300 0.038 0.000 2.293 179 Y HA -0.154 4.429 4.550 0.055 0.000 0.291 179 Y C 1.798 177.728 175.900 0.050 0.000 1.137 179 Y CA 0.980 59.110 58.100 0.050 0.000 1.202 179 Y CB 0.055 38.559 38.460 0.073 0.000 0.990 179 Y HN 0.040 nan 8.280 nan 0.000 0.537 180 L N 0.384 121.663 121.223 0.092 0.000 2.446 180 L HA 0.123 4.496 4.340 0.055 0.000 0.219 180 L C 0.823 177.697 176.870 0.007 0.000 1.116 180 L CA 0.819 55.686 54.840 0.044 0.000 0.844 180 L CB -0.599 41.577 42.059 0.196 0.000 0.970 180 L HN 0.114 nan 8.230 nan 0.000 0.457 181 R N -1.028 119.472 120.500 0.001 0.000 3.322 181 R HA -0.112 4.260 4.340 0.055 0.000 0.266 181 R C -0.739 175.579 176.300 0.030 0.000 1.072 181 R CA 0.806 56.907 56.100 0.002 0.000 0.715 181 R CB -1.854 28.430 30.300 -0.027 0.000 1.199 181 R HN 0.227 nan 8.270 nan 0.000 0.421 182 V N -3.992 115.943 119.914 0.036 0.000 3.102 182 V HA 0.953 5.106 4.120 0.055 0.000 0.312 182 V C 0.408 176.502 176.094 -0.000 0.000 1.135 182 V CA -0.879 61.436 62.300 0.024 0.000 1.022 182 V CB 2.181 34.019 31.823 0.025 0.000 1.056 182 V HN 0.222 nan 8.190 nan 0.000 0.436 183 A N 1.895 124.708 122.820 -0.012 0.000 2.511 183 A HA 0.502 4.855 4.320 0.055 0.000 0.242 183 A C -1.300 176.264 177.584 -0.034 0.000 1.069 183 A CA -0.506 51.519 52.037 -0.019 0.000 0.763 183 A CB -0.363 18.624 19.000 -0.022 0.000 1.001 183 A HN 0.845 nan 8.150 nan 0.000 0.498 184 P HA -0.239 nan 4.420 nan 0.000 0.216 184 P C 1.421 178.686 177.300 -0.058 0.000 1.150 184 P CA 1.692 64.765 63.100 -0.046 0.000 0.843 184 P CB 0.082 31.765 31.700 -0.030 0.000 0.787 185 Q N -0.213 119.560 119.800 -0.045 0.000 2.436 185 Q HA -0.057 4.316 4.340 0.055 0.000 0.209 185 Q C 1.691 177.653 176.000 -0.063 0.000 0.965 185 Q CA 1.758 57.532 55.803 -0.048 0.000 0.910 185 Q CB -1.108 27.610 28.738 -0.034 0.000 0.980 185 Q HN 0.333 nan 8.270 nan 0.000 0.491 186 S N -0.194 115.463 115.700 -0.072 0.000 2.470 186 S HA 0.082 4.585 4.470 0.055 0.000 0.225 186 S C 0.898 175.427 174.600 -0.119 0.000 1.006 186 S CA -0.198 57.944 58.200 -0.097 0.000 0.934 186 S CB -0.042 63.095 63.200 -0.105 0.000 0.778 186 S HN 0.128 nan 8.310 nan 0.000 0.517 187 V N 3.640 123.484 119.914 -0.117 0.000 2.461 187 V HA 0.284 4.437 4.120 0.055 0.000 0.275 187 V C 0.024 176.024 176.094 -0.157 0.000 1.047 187 V CA -0.538 61.672 62.300 -0.151 0.000 0.955 187 V CB 0.687 32.402 31.823 -0.180 0.000 0.988 187 V HN 0.562 nan 8.190 nan 0.000 0.471 188 H N 4.919 123.820 119.070 -0.282 0.000 2.595 188 H HA 0.748 5.337 4.556 0.055 0.000 0.313 188 H C -0.587 174.455 175.328 -0.477 0.000 1.023 188 H CA -0.078 55.755 56.048 -0.359 0.000 1.218 188 H CB 1.436 31.012 29.762 -0.309 0.000 1.403 188 H HN 0.790 nan 8.280 nan 0.000 0.477 189 A N 5.338 127.578 122.820 -0.968 0.000 2.555 189 A HA 0.463 4.816 4.320 0.055 0.000 0.297 189 A C -2.258 174.996 177.584 -0.549 0.000 1.060 189 A CA -0.662 50.912 52.037 -0.773 0.000 0.710 189 A CB 1.061 19.610 19.000 -0.751 0.000 1.282 189 A HN 0.533 nan 8.150 nan 0.000 0.399 190 Y N 0.192 120.439 120.300 -0.089 0.000 2.509 190 Y HA 0.636 5.219 4.550 0.054 0.000 0.341 190 Y C 0.081 175.986 175.900 0.009 0.000 1.038 190 Y CA -1.315 56.753 58.100 -0.053 0.000 1.089 190 Y CB 2.229 40.611 38.460 -0.130 0.000 1.241 190 Y HN 0.452 nan 8.280 nan 0.000 0.468 191 V N 4.820 124.824 119.914 0.151 0.000 2.409 191 V HA 0.495 4.648 4.120 0.055 0.000 0.291 191 V C -0.345 175.733 176.094 -0.026 0.000 1.020 191 V CA -0.773 61.517 62.300 -0.018 0.000 0.848 191 V CB 1.195 32.979 31.823 -0.065 0.000 0.990 191 V HN 0.567 nan 8.190 nan 0.000 0.430 192 L N 3.684 124.873 121.223 -0.056 0.000 2.303 192 L HA 1.002 5.375 4.340 0.055 0.000 0.266 192 L C 0.949 177.788 176.870 -0.052 0.000 1.011 192 L CA -0.051 54.738 54.840 -0.085 0.000 0.818 192 L CB 1.885 43.865 42.059 -0.131 0.000 1.326 192 L HN 0.872 nan 8.230 nan 0.000 0.435 193 G N 0.783 109.554 108.800 -0.048 0.000 2.481 193 G HA2 -0.220 3.773 3.960 0.055 0.000 0.230 193 G HA3 -0.220 3.773 3.960 0.055 0.000 0.230 193 G C -0.401 174.502 174.900 0.005 0.000 1.210 193 G CA -0.101 44.987 45.100 -0.020 0.000 0.936 193 G HN 0.776 nan 8.290 nan 0.000 0.583 194 E N 0.661 120.869 120.200 0.013 0.000 2.376 194 E HA 0.251 4.634 4.350 0.055 0.000 0.266 194 E C 0.048 176.690 176.600 0.070 0.000 1.009 194 E CA -0.311 56.110 56.400 0.035 0.000 0.902 194 E CB 0.243 29.951 29.700 0.014 0.000 0.972 194 E HN 0.616 nan 8.360 nan 0.000 0.439 195 H N 4.011 123.073 119.070 -0.013 0.000 3.432 195 H HA 0.294 4.883 4.556 0.055 0.000 0.252 195 H C 0.019 175.344 175.328 -0.005 0.000 1.397 195 H CA 1.209 57.251 56.048 -0.009 0.000 1.549 195 H CB -0.415 29.346 29.762 -0.003 0.000 1.699 195 H HN 0.677 nan 8.280 nan 0.000 0.523 196 G N 3.312 112.020 108.800 -0.154 0.000 2.455 196 G HA2 -0.139 3.854 3.960 0.055 0.000 0.223 196 G HA3 -0.139 3.854 3.960 0.055 0.000 0.223 196 G C 0.146 174.989 174.900 -0.095 0.000 1.226 196 G CA -0.038 44.952 45.100 -0.184 0.000 0.948 196 G HN 0.360 nan 8.290 nan 0.000 0.478 197 D N 0.613 120.968 120.400 -0.074 0.000 2.149 197 D HA -0.083 4.590 4.640 0.055 0.000 0.198 197 D C 2.608 178.882 176.300 -0.043 0.000 0.990 197 D CA 2.126 56.092 54.000 -0.057 0.000 0.839 197 D CB -0.172 40.597 40.800 -0.052 0.000 0.948 197 D HN 0.463 nan 8.370 nan 0.000 0.460 198 S N 0.249 115.929 115.700 -0.034 0.000 2.605 198 S HA 0.002 4.504 4.470 0.055 0.000 0.217 198 S C 0.592 175.179 174.600 -0.022 0.000 0.958 198 S CA -0.530 57.656 58.200 -0.023 0.000 0.919 198 S CB -0.478 62.713 63.200 -0.014 0.000 0.780 198 S HN 0.346 nan 8.310 nan 0.000 0.507 199 E N 1.026 121.208 120.200 -0.029 0.000 2.436 199 E HA 0.239 4.622 4.350 0.055 0.000 0.262 199 E C -0.928 175.644 176.600 -0.047 0.000 1.063 199 E CA -0.576 55.806 56.400 -0.030 0.000 0.944 199 E CB 0.551 30.236 29.700 -0.025 0.000 0.950 199 E HN 0.100 nan 8.360 nan 0.000 0.444 200 V N 3.145 123.027 119.914 -0.053 0.000 2.384 200 V HA 0.147 4.300 4.120 0.055 0.000 0.287 200 V C -0.316 175.704 176.094 -0.124 0.000 1.020 200 V CA -0.952 61.315 62.300 -0.055 0.000 0.850 200 V CB 1.049 32.861 31.823 -0.019 0.000 0.987 200 V HN 0.524 nan 8.190 nan 0.000 0.436 201 L N 5.655 126.759 121.223 -0.198 0.000 2.325 201 L HA 0.279 4.652 4.340 0.055 0.000 0.284 201 L C 0.350 177.117 176.870 -0.171 0.000 1.089 201 L CA 0.342 54.899 54.840 -0.472 0.000 0.836 201 L CB 1.372 42.894 42.059 -0.896 0.000 1.184 201 L HN 0.483 nan 8.230 nan 0.000 0.444 202 V N 4.695 124.589 119.914 -0.032 0.000 2.149 202 V HA -0.040 4.112 4.120 0.055 0.000 0.245 202 V C 0.787 176.976 176.094 0.158 0.000 1.349 202 V CA -0.176 62.189 62.300 0.108 0.000 1.289 202 V CB -1.052 30.852 31.823 0.136 0.000 1.401 202 V HN 0.827 nan 8.190 nan 0.000 0.501 203 W N 1.974 123.395 121.300 0.203 0.000 2.374 203 W HA -0.197 4.496 4.660 0.056 0.000 0.288 203 W C 2.674 179.259 176.519 0.110 0.000 1.218 203 W CA 1.498 58.960 57.345 0.195 0.000 1.245 203 W CB -0.220 29.326 29.460 0.145 0.000 1.126 203 W HN 0.664 nan 8.180 nan 0.000 0.545 204 S N -0.974 114.907 115.700 0.302 0.000 2.406 204 S HA -0.075 4.427 4.470 0.055 0.000 0.224 204 S C 1.557 176.246 174.600 0.150 0.000 1.030 204 S CA 0.970 59.295 58.200 0.208 0.000 0.958 204 S CB -0.767 62.532 63.200 0.165 0.000 0.811 204 S HN 0.108 nan 8.310 nan 0.000 0.489 205 S N 1.075 116.856 115.700 0.136 0.000 2.575 205 S HA 0.697 5.200 4.470 0.055 0.000 0.237 205 S C 0.536 175.194 174.600 0.097 0.000 0.975 205 S CA -0.201 58.066 58.200 0.112 0.000 0.960 205 S CB -0.091 63.184 63.200 0.125 0.000 0.822 205 S HN 0.727 nan 8.310 nan 0.000 0.472 206 A N 1.564 124.420 122.820 0.061 0.000 2.520 206 A HA 0.464 4.817 4.320 0.055 0.000 0.235 206 A C 0.275 177.863 177.584 0.007 0.000 1.065 206 A CA 0.090 52.111 52.037 -0.027 0.000 0.764 206 A CB 0.192 19.110 19.000 -0.137 0.000 1.002 206 A HN 0.621 nan 8.150 nan 0.000 0.502 207 Q N 0.335 120.131 119.800 -0.007 0.000 2.484 207 Q HA 0.576 4.949 4.340 0.055 0.000 0.285 207 Q C -0.304 175.624 176.000 -0.120 0.000 1.097 207 Q CA -0.904 54.868 55.803 -0.050 0.000 0.802 207 Q CB 2.228 30.917 28.738 -0.082 0.000 1.444 207 Q HN 0.423 nan 8.270 nan 0.000 0.429 208 V N -0.841 118.951 119.914 -0.203 0.000 3.480 208 V HA 0.125 4.278 4.120 0.055 0.000 0.263 208 V C -1.832 174.039 176.094 -0.371 0.000 1.442 208 V CA -0.248 61.860 62.300 -0.321 0.000 1.053 208 V CB -0.098 31.416 31.823 -0.514 0.000 0.846 208 V HN 0.625 nan 8.190 nan 0.000 0.440 209 P HA -0.037 nan 4.420 nan 0.000 0.276 209 P C 1.381 178.739 177.300 0.097 0.000 1.286 209 P CA 0.403 63.537 63.100 0.057 0.000 0.883 209 P CB 0.141 31.885 31.700 0.074 0.000 1.125 210 L N -1.769 119.562 121.223 0.179 0.000 2.819 210 L HA -0.394 3.979 4.340 0.055 0.000 0.202 210 L C 2.118 179.077 176.870 0.148 0.000 1.100 210 L CA 1.927 56.870 54.840 0.172 0.000 0.847 210 L CB -1.062 41.087 42.059 0.150 0.000 0.916 210 L HN 0.518 nan 8.230 nan 0.000 0.453 211 E N -0.836 119.451 120.200 0.145 0.000 2.072 211 E HA -0.177 4.206 4.350 0.055 0.000 0.190 211 E C 1.892 178.575 176.600 0.139 0.000 0.982 211 E CA 1.503 57.975 56.400 0.119 0.000 0.803 211 E CB -0.330 29.436 29.700 0.110 0.000 0.755 211 E HN 0.567 nan 8.360 nan 0.000 0.453 212 F N 2.186 122.161 119.950 0.042 0.000 2.102 212 F HA -0.171 4.389 4.527 0.055 0.000 0.298 212 F C 2.394 178.223 175.800 0.048 0.000 1.105 212 F CA 1.433 59.454 58.000 0.034 0.000 1.239 212 F CB -0.456 38.560 39.000 0.026 0.000 0.991 212 F HN -0.010 nan 8.300 nan 0.000 0.474 213 A N 0.102 123.035 122.820 0.188 0.000 1.869 213 A HA -0.358 3.994 4.320 0.055 0.000 0.218 213 A C 2.213 179.803 177.584 0.010 0.000 1.203 213 A CA 2.247 54.360 52.037 0.128 0.000 0.638 213 A CB -1.410 17.755 19.000 0.275 0.000 0.831 213 A HN 0.587 nan 8.150 nan 0.000 0.450 214 E N -0.363 119.860 120.200 0.038 0.000 2.065 214 E HA -0.203 4.180 4.350 0.055 0.000 0.201 214 E C 1.958 178.524 176.600 -0.055 0.000 1.016 214 E CA 1.357 57.760 56.400 0.006 0.000 0.818 214 E CB -0.341 29.372 29.700 0.022 0.000 0.749 214 E HN 0.566 nan 8.360 nan 0.000 0.453 215 A N 0.487 123.245 122.820 -0.103 0.000 2.272 215 A HA -0.138 4.215 4.320 0.055 0.000 0.213 215 A C 1.112 178.582 177.584 -0.189 0.000 1.183 215 A CA 0.975 52.926 52.037 -0.143 0.000 0.719 215 A CB -0.279 18.627 19.000 -0.157 0.000 0.771 215 A HN 0.150 nan 8.150 nan 0.000 0.484 216 R N -3.063 117.318 120.500 -0.198 0.000 3.378 216 R HA 0.501 4.874 4.340 0.055 0.000 0.224 216 R C 1.916 178.148 176.300 -0.113 0.000 1.689 216 R CA -0.337 55.650 56.100 -0.189 0.000 0.985 216 R CB -0.539 29.602 30.300 -0.265 0.000 1.957 216 R HN 0.087 nan 8.270 nan 0.000 0.541 217 G N 0.970 109.701 108.800 -0.115 0.000 2.839 217 G HA2 -0.283 3.710 3.960 0.055 0.000 0.221 217 G HA3 -0.283 3.710 3.960 0.055 0.000 0.221 217 G C 0.087 174.960 174.900 -0.046 0.000 1.271 217 G CA 1.132 46.179 45.100 -0.088 0.000 0.789 217 G HN 0.316 nan 8.290 nan 0.000 0.659 218 R N -1.254 119.236 120.500 -0.017 0.000 2.668 218 R HA 0.574 4.947 4.340 0.055 0.000 0.272 218 R C -0.486 175.906 176.300 0.153 0.000 1.019 218 R CA -0.462 55.674 56.100 0.060 0.000 0.894 218 R CB 1.894 32.247 30.300 0.088 0.000 1.228 218 R HN 0.454 nan 8.270 nan 0.000 0.460 219 A N 2.548 125.437 122.820 0.115 0.000 2.406 219 A HA 0.296 4.649 4.320 0.055 0.000 0.243 219 A C 0.154 177.821 177.584 0.139 0.000 1.082 219 A CA -0.325 51.786 52.037 0.124 0.000 0.786 219 A CB 0.181 19.214 19.000 0.055 0.000 1.029 219 A HN 0.638 nan 8.150 nan 0.000 0.495 220 L N 2.197 123.452 121.223 0.054 0.000 2.534 220 L HA 0.107 4.479 4.340 0.055 0.000 0.271 220 L C 1.216 178.004 176.870 -0.135 0.000 1.178 220 L CA -0.124 54.617 54.840 -0.165 0.000 0.907 220 L CB 0.042 41.980 42.059 -0.203 0.000 1.164 220 L HN 0.903 nan 8.230 nan 0.000 0.482 221 S N 3.592 119.216 115.700 -0.127 0.000 2.645 221 S HA 0.364 4.867 4.470 0.055 0.000 0.266 221 S C -1.831 172.683 174.600 -0.143 0.000 1.258 221 S CA -1.257 56.888 58.200 -0.092 0.000 0.990 221 S CB 1.393 64.573 63.200 -0.033 0.000 0.967 221 S HN 0.358 nan 8.310 nan 0.000 0.556 222 P HA -0.081 nan 4.420 nan 0.000 0.215 222 P C 1.411 178.645 177.300 -0.110 0.000 1.153 222 P CA 1.375 64.396 63.100 -0.132 0.000 0.853 222 P CB 0.015 31.660 31.700 -0.093 0.000 0.788 223 E N -0.423 119.735 120.200 -0.070 0.000 2.110 223 E HA -0.199 4.184 4.350 0.055 0.000 0.193 223 E C 1.452 178.027 176.600 -0.043 0.000 0.988 223 E CA 1.440 57.815 56.400 -0.042 0.000 0.804 223 E CB -0.481 29.209 29.700 -0.017 0.000 0.745 223 E HN 0.136 nan 8.360 nan 0.000 0.458 224 D N -0.060 120.294 120.400 -0.076 0.000 2.103 224 D HA -0.079 4.594 4.640 0.055 0.000 0.199 224 D C 1.994 178.259 176.300 -0.059 0.000 0.978 224 D CA 0.738 54.687 54.000 -0.086 0.000 0.829 224 D CB -0.247 40.411 40.800 -0.236 0.000 0.981 224 D HN 0.169 nan 8.370 nan 0.000 0.464 225 R N 0.634 121.039 120.500 -0.158 0.000 2.117 225 R HA -0.113 4.260 4.340 0.055 0.000 0.243 225 R C 2.005 178.306 176.300 0.002 0.000 1.143 225 R CA 1.504 57.469 56.100 -0.224 0.000 0.968 225 R CB -0.173 29.758 30.300 -0.615 0.000 0.863 225 R HN 0.112 nan 8.270 nan 0.000 0.444 226 A N 0.290 123.092 122.820 -0.029 0.000 2.095 226 A HA 0.021 4.374 4.320 0.055 0.000 0.212 226 A C 1.999 179.611 177.584 0.048 0.000 1.162 226 A CA -0.016 52.031 52.037 0.016 0.000 0.753 226 A CB -0.078 18.908 19.000 -0.024 0.000 0.840 226 A HN 0.050 nan 8.150 nan 0.000 0.468 227 R N 0.458 120.985 120.500 0.045 0.000 2.096 227 R HA -0.041 4.332 4.340 0.055 0.000 0.235 227 R C 1.629 177.991 176.300 0.103 0.000 1.127 227 R CA 1.591 57.728 56.100 0.062 0.000 0.968 227 R CB -0.406 29.925 30.300 0.053 0.000 0.861 227 R HN 0.570 nan 8.270 nan 0.000 0.440 228 I N 0.754 121.420 120.570 0.160 0.000 2.233 228 I HA -0.241 3.962 4.170 0.055 0.000 0.243 228 I C 2.450 178.693 176.117 0.211 0.000 1.093 228 I CA 1.360 62.799 61.300 0.232 0.000 1.380 228 I CB -0.544 37.694 38.000 0.397 0.000 1.067 228 I HN 0.256 nan 8.210 nan 0.000 0.413 229 D N 1.180 121.726 120.400 0.243 0.000 2.116 229 D HA -0.308 4.365 4.640 0.055 0.000 0.193 229 D C 1.974 178.311 176.300 0.062 0.000 0.998 229 D CA 1.993 56.077 54.000 0.140 0.000 0.836 229 D CB 0.107 40.998 40.800 0.151 0.000 0.951 229 D HN 0.437 nan 8.370 nan 0.000 0.449 230 E N -0.258 119.981 120.200 0.065 0.000 2.152 230 E HA -0.070 4.313 4.350 0.055 0.000 0.192 230 E C 2.117 178.749 176.600 0.053 0.000 0.983 230 E CA 1.417 57.844 56.400 0.044 0.000 0.818 230 E CB -0.527 29.196 29.700 0.038 0.000 0.758 230 E HN 0.298 nan 8.360 nan 0.000 0.467 231 G N 0.390 109.232 108.800 0.071 0.000 2.440 231 G HA2 -0.235 3.758 3.960 0.055 0.000 0.218 231 G HA3 -0.235 3.758 3.960 0.055 0.000 0.218 231 G C 1.620 176.557 174.900 0.062 0.000 1.154 231 G CA 1.082 46.226 45.100 0.073 0.000 0.767 231 G HN 0.243 nan 8.290 nan 0.000 0.552 232 V N 0.184 120.129 119.914 0.051 0.000 2.302 232 V HA -0.026 4.127 4.120 0.055 0.000 0.243 232 V C 2.720 178.819 176.094 0.008 0.000 1.036 232 V CA 1.929 64.241 62.300 0.020 0.000 1.020 232 V CB -0.414 31.374 31.823 -0.059 0.000 0.657 232 V HN 0.328 nan 8.190 nan 0.000 0.453 233 R N -0.217 120.279 120.500 -0.005 0.000 2.093 233 R HA -0.007 4.366 4.340 0.055 0.000 0.224 233 R C 1.818 178.122 176.300 0.006 0.000 1.101 233 R CA 0.830 56.921 56.100 -0.015 0.000 0.979 233 R CB 0.123 30.406 30.300 -0.027 0.000 0.877 233 R HN 0.252 nan 8.270 nan 0.000 0.441 234 R N -0.221 120.297 120.500 0.030 0.000 2.552 234 R HA 0.222 4.595 4.340 0.055 0.000 0.314 234 R C 1.098 177.462 176.300 0.106 0.000 1.041 234 R CA 0.366 56.506 56.100 0.068 0.000 1.076 234 R CB 0.837 31.169 30.300 0.054 0.000 1.290 234 R HN 0.197 nan 8.270 nan 0.000 0.563 235 A N 1.271 124.135 122.820 0.073 0.000 1.858 235 A HA -0.136 4.217 4.320 0.055 0.000 0.216 235 A C 2.287 179.909 177.584 0.064 0.000 1.190 235 A CA 1.903 53.980 52.037 0.066 0.000 0.617 235 A CB -0.462 18.573 19.000 0.058 0.000 0.827 235 A HN 0.310 nan 8.150 nan 0.000 0.443 236 A N -1.704 121.155 122.820 0.064 0.000 1.908 236 A HA -0.173 4.180 4.320 0.055 0.000 0.218 236 A C 2.169 179.783 177.584 0.049 0.000 1.181 236 A CA 1.860 53.926 52.037 0.047 0.000 0.627 236 A CB -0.886 18.134 19.000 0.032 0.000 0.818 236 A HN 0.758 nan 8.150 nan 0.000 0.445 237 Y N 0.432 120.723 120.300 -0.016 0.000 2.181 237 Y HA -0.207 4.376 4.550 0.055 0.000 0.288 237 Y C 2.547 178.445 175.900 -0.003 0.000 1.146 237 Y CA 2.069 60.163 58.100 -0.012 0.000 1.164 237 Y CB -0.253 38.198 38.460 -0.014 0.000 0.982 237 Y HN 0.252 nan 8.280 nan 0.000 0.515 238 R N -0.142 120.377 120.500 0.032 0.000 2.081 238 R HA -0.165 4.207 4.340 0.055 0.000 0.235 238 R C 2.258 178.501 176.300 -0.096 0.000 1.131 238 R CA 1.985 58.066 56.100 -0.033 0.000 0.960 238 R CB -0.474 29.851 30.300 0.043 0.000 0.856 238 R HN 0.416 nan 8.270 nan 0.000 0.436 239 I N 0.375 120.905 120.570 -0.067 0.000 2.252 239 I HA -0.257 3.946 4.170 0.055 0.000 0.245 239 I C 2.187 178.243 176.117 -0.101 0.000 1.102 239 I CA 1.289 62.548 61.300 -0.069 0.000 1.385 239 I CB -0.174 37.795 38.000 -0.053 0.000 1.064 239 I HN 0.110 nan 8.210 nan 0.000 0.414 240 I N 0.422 120.912 120.570 -0.133 0.000 2.315 240 I HA -0.248 3.955 4.170 0.055 0.000 0.248 240 I C 2.517 178.521 176.117 -0.189 0.000 1.117 240 I CA 1.064 62.282 61.300 -0.137 0.000 1.404 240 I CB -0.252 37.671 38.000 -0.129 0.000 1.071 240 I HN 0.154 nan 8.210 nan 0.000 0.419 241 E N 1.132 121.136 120.200 -0.326 0.000 2.097 241 E HA -0.191 4.192 4.350 0.055 0.000 0.196 241 E C 2.143 178.656 176.600 -0.145 0.000 1.000 241 E CA 1.738 57.956 56.400 -0.303 0.000 0.804 241 E CB -0.450 28.992 29.700 -0.430 0.000 0.740 241 E HN 0.443 nan 8.360 nan 0.000 0.454 242 G N -0.328 108.406 108.800 -0.110 0.000 2.595 242 G HA2 -0.121 3.872 3.960 0.055 0.000 0.213 242 G HA3 -0.121 3.872 3.960 0.055 0.000 0.213 242 G C 1.250 176.130 174.900 -0.034 0.000 1.141 242 G CA 0.734 45.800 45.100 -0.056 0.000 0.806 242 G HN 0.375 nan 8.290 nan 0.000 0.530 243 K N -1.993 118.385 120.400 -0.036 0.000 2.521 243 K HA 0.445 4.798 4.320 0.055 0.000 0.213 243 K C 1.295 177.903 176.600 0.014 0.000 1.223 243 K CA 0.775 57.060 56.287 -0.003 0.000 1.013 243 K CB 0.780 33.282 32.500 0.004 0.000 1.017 243 K HN 0.374 nan 8.250 nan 0.000 0.591 244 G N 0.597 109.391 108.800 -0.011 0.000 2.253 244 G HA2 -0.004 3.989 3.960 0.055 0.000 0.209 244 G HA3 -0.004 3.989 3.960 0.055 0.000 0.209 244 G C 0.099 175.011 174.900 0.021 0.000 0.997 244 G CA -0.194 44.907 45.100 0.003 0.000 0.640 244 G HN 0.893 nan 8.290 nan 0.000 0.496 245 A N -1.199 121.646 122.820 0.040 0.000 2.569 245 A HA 0.828 5.180 4.320 0.055 0.000 0.292 245 A C -0.206 177.393 177.584 0.025 0.000 1.032 245 A CA 0.754 52.830 52.037 0.066 0.000 0.669 245 A CB 0.189 19.268 19.000 0.131 0.000 1.290 245 A HN 1.890 nan 8.150 nan 0.000 0.422 246 T N -0.867 113.694 114.554 0.011 0.000 2.875 246 T HA 0.674 5.057 4.350 0.055 0.000 0.284 246 T C 0.166 174.871 174.700 0.009 0.000 0.995 246 T CA 0.566 62.610 62.100 -0.092 0.000 1.060 246 T CB 0.769 69.624 68.868 -0.022 0.000 0.967 246 T HN 1.724 nan 8.240 nan 0.000 0.476 247 Y N -1.170 119.083 120.300 -0.079 0.000 2.510 247 Y HA 0.267 4.851 4.550 0.056 0.000 0.285 247 Y C 1.511 177.394 175.900 -0.029 0.000 1.089 247 Y CA -0.779 57.261 58.100 -0.100 0.000 1.007 247 Y CB -0.374 37.964 38.460 -0.202 0.000 1.372 247 Y HN 0.481 nan 8.280 nan 0.000 0.563 248 Y N 2.427 122.660 120.300 -0.112 0.000 2.181 248 Y HA 0.022 4.603 4.550 0.052 0.000 0.288 248 Y C 2.669 178.582 175.900 0.022 0.000 1.146 248 Y CA 1.624 59.735 58.100 0.018 0.000 1.164 248 Y CB -1.002 37.417 38.460 -0.068 0.000 0.982 248 Y HN 0.365 nan 8.280 nan 0.000 0.515 249 G N -0.229 108.656 108.800 0.141 0.000 2.433 249 G HA2 -0.276 3.717 3.960 0.055 0.000 0.216 249 G HA3 -0.276 3.717 3.960 0.055 0.000 0.216 249 G C 1.714 176.665 174.900 0.085 0.000 1.186 249 G CA 1.154 46.311 45.100 0.095 0.000 0.779 249 G HN 0.380 nan 8.290 nan 0.000 0.543 250 I N 1.810 122.427 120.570 0.079 0.000 2.394 250 I HA 0.096 4.299 4.170 0.055 0.000 0.251 250 I C 2.715 178.873 176.117 0.068 0.000 1.136 250 I CA 1.301 62.636 61.300 0.057 0.000 1.425 250 I CB -0.686 37.346 38.000 0.053 0.000 1.079 250 I HN 0.104 nan 8.210 nan 0.000 0.425 251 G N 0.268 109.136 108.800 0.113 0.000 2.513 251 G HA2 -0.335 3.658 3.960 0.055 0.000 0.219 251 G HA3 -0.335 3.658 3.960 0.055 0.000 0.219 251 G C 1.711 176.666 174.900 0.092 0.000 1.160 251 G CA 0.951 46.124 45.100 0.122 0.000 0.767 251 G HN 0.590 nan 8.290 nan 0.000 0.571 252 A N 0.537 123.414 122.820 0.094 0.000 1.930 252 A HA 0.293 4.646 4.320 0.055 0.000 0.215 252 A C 2.713 180.317 177.584 0.033 0.000 1.176 252 A CA 1.805 53.879 52.037 0.062 0.000 0.632 252 A CB -0.928 18.110 19.000 0.063 0.000 0.819 252 A HN 0.545 nan 8.150 nan 0.000 0.445 253 G N 0.086 108.904 108.800 0.030 0.000 2.440 253 G HA2 -0.191 3.802 3.960 0.055 0.000 0.218 253 G HA3 -0.191 3.802 3.960 0.055 0.000 0.218 253 G C 1.548 176.427 174.900 -0.035 0.000 1.154 253 G CA 1.083 46.184 45.100 0.002 0.000 0.767 253 G HN 0.416 nan 8.290 nan 0.000 0.552 254 L N 0.624 121.833 121.223 -0.022 0.000 2.083 254 L HA -0.064 4.309 4.340 0.055 0.000 0.209 254 L C 3.414 180.258 176.870 -0.043 0.000 1.083 254 L CA 0.973 55.790 54.840 -0.038 0.000 0.752 254 L CB -0.359 41.692 42.059 -0.012 0.000 0.899 254 L HN 0.315 nan 8.230 nan 0.000 0.433 255 A N 0.068 122.879 122.820 -0.016 0.000 1.902 255 A HA -0.262 4.091 4.320 0.055 0.000 0.217 255 A C 2.330 179.894 177.584 -0.034 0.000 1.181 255 A CA 1.867 53.896 52.037 -0.013 0.000 0.623 255 A CB -0.473 18.533 19.000 0.009 0.000 0.818 255 A HN 0.287 nan 8.150 nan 0.000 0.443 256 R N 0.060 120.535 120.500 -0.040 0.000 2.081 256 R HA -0.004 4.369 4.340 0.055 0.000 0.235 256 R C 1.866 178.075 176.300 -0.152 0.000 1.131 256 R CA 1.585 57.654 56.100 -0.053 0.000 0.960 256 R CB -0.746 29.544 30.300 -0.016 0.000 0.856 256 R HN 0.535 nan 8.270 nan 0.000 0.436 257 L N -0.720 120.368 121.223 -0.226 0.000 2.027 257 L HA -0.122 4.251 4.340 0.055 0.000 0.206 257 L C 2.289 179.053 176.870 -0.176 0.000 1.074 257 L CA 1.008 55.653 54.840 -0.325 0.000 0.745 257 L CB -0.586 41.303 42.059 -0.284 0.000 0.898 257 L HN 0.020 nan 8.230 nan 0.000 0.433 258 V N 0.009 119.859 119.914 -0.106 0.000 2.317 258 V HA -0.346 3.807 4.120 0.055 0.000 0.251 258 V C 2.779 178.843 176.094 -0.049 0.000 1.065 258 V CA 1.860 64.123 62.300 -0.062 0.000 1.049 258 V CB -0.712 31.087 31.823 -0.040 0.000 0.651 258 V HN 0.458 nan 8.190 nan 0.000 0.450 259 R N -0.139 120.332 120.500 -0.048 0.000 2.081 259 R HA -0.137 4.236 4.340 0.055 0.000 0.235 259 R C 2.353 178.646 176.300 -0.011 0.000 1.131 259 R CA 1.676 57.762 56.100 -0.024 0.000 0.960 259 R CB -0.537 29.756 30.300 -0.012 0.000 0.856 259 R HN 0.511 nan 8.270 nan 0.000 0.436 260 A N 0.969 123.773 122.820 -0.026 0.000 1.940 260 A HA -0.158 4.194 4.320 0.055 0.000 0.219 260 A C 2.219 179.809 177.584 0.010 0.000 1.176 260 A CA 1.385 53.434 52.037 0.019 0.000 0.631 260 A CB -0.439 18.559 19.000 -0.003 0.000 0.814 260 A HN 0.325 nan 8.150 nan 0.000 0.446 261 I N -0.529 120.027 120.570 -0.023 0.000 2.286 261 I HA -0.196 4.007 4.170 0.055 0.000 0.245 261 I C 2.250 178.366 176.117 -0.002 0.000 1.104 261 I CA 0.905 62.199 61.300 -0.011 0.000 1.397 261 I CB -0.243 37.742 38.000 -0.024 0.000 1.072 261 I HN 0.267 nan 8.210 nan 0.000 0.417 262 L N 0.187 121.406 121.223 -0.006 0.000 2.141 262 L HA -0.147 4.226 4.340 0.055 0.000 0.209 262 L C 2.388 179.260 176.870 0.004 0.000 1.094 262 L CA 1.741 56.579 54.840 -0.002 0.000 0.763 262 L CB -0.876 41.179 42.059 -0.006 0.000 0.908 262 L HN 0.429 nan 8.230 nan 0.000 0.437 263 T N -5.449 109.110 114.554 0.009 0.000 3.086 263 T HA 0.028 4.411 4.350 0.055 0.000 0.250 263 T C 0.632 175.344 174.700 0.020 0.000 1.074 263 T CA 0.001 62.109 62.100 0.013 0.000 0.988 263 T CB -0.061 68.816 68.868 0.016 0.000 0.988 263 T HN 0.213 nan 8.240 nan 0.000 0.530 264 D N 1.604 122.018 120.400 0.023 0.000 2.697 264 D HA -0.192 4.481 4.640 0.055 0.000 0.235 264 D C 0.703 177.026 176.300 0.039 0.000 1.167 264 D CA 0.923 54.940 54.000 0.029 0.000 0.656 264 D CB -1.310 39.503 40.800 0.022 0.000 1.025 264 D HN 0.768 nan 8.370 nan 0.000 0.419 265 E N 1.063 121.297 120.200 0.055 0.000 2.072 265 E HA -0.180 4.203 4.350 0.055 0.000 0.191 265 E C 0.612 177.253 176.600 0.070 0.000 0.985 265 E CA 1.285 57.726 56.400 0.069 0.000 0.801 265 E CB 0.061 29.825 29.700 0.107 0.000 0.750 265 E HN 0.470 nan 8.360 nan 0.000 0.452 266 K N -0.335 120.116 120.400 0.086 0.000 3.129 266 K HA -0.146 4.207 4.320 0.055 0.000 0.273 266 K C 0.116 176.758 176.600 0.071 0.000 1.123 266 K CA 0.172 56.504 56.287 0.076 0.000 0.800 266 K CB -2.155 30.372 32.500 0.046 0.000 1.238 266 K HN 0.338 nan 8.250 nan 0.000 0.492 267 G N 0.233 109.102 108.800 0.115 0.000 2.599 267 G HA2 0.434 4.427 3.960 0.055 0.000 0.264 267 G HA3 0.434 4.427 3.960 0.055 0.000 0.264 267 G C -0.017 174.838 174.900 -0.074 0.000 1.200 267 G CA -0.608 44.483 45.100 -0.014 0.000 0.896 267 G HN 0.054 nan 8.290 nan 0.000 0.536 268 V N 0.870 120.621 119.914 -0.272 0.000 2.370 268 V HA 0.444 4.597 4.120 0.055 0.000 0.279 268 V C -0.977 174.880 176.094 -0.395 0.000 1.029 268 V CA -0.333 61.864 62.300 -0.171 0.000 0.870 268 V CB 0.288 32.089 31.823 -0.038 0.000 0.984 268 V HN 0.575 nan 8.190 nan 0.000 0.451 269 Y N 1.172 121.483 120.300 0.019 0.000 2.492 269 Y HA 0.435 5.019 4.550 0.056 0.000 0.346 269 Y C 0.705 176.575 175.900 -0.049 0.000 0.997 269 Y CA -1.094 57.011 58.100 0.008 0.000 1.025 269 Y CB 2.158 40.618 38.460 0.000 0.000 1.263 269 Y HN 0.621 nan 8.280 nan 0.000 0.454 270 T N 0.556 115.172 114.554 0.102 0.000 3.455 270 T HA 0.494 4.877 4.350 0.055 0.000 0.286 270 T C -0.251 174.450 174.700 0.001 0.000 1.157 270 T CA -0.506 61.576 62.100 -0.030 0.000 1.090 270 T CB -1.514 67.321 68.868 -0.055 0.000 1.112 270 T HN 0.477 nan 8.240 nan 0.000 0.779 271 V N -0.024 119.892 119.914 0.003 0.000 2.881 271 V HA 0.799 4.952 4.120 0.055 0.000 0.316 271 V C 0.311 176.390 176.094 -0.024 0.000 1.070 271 V CA -1.211 61.082 62.300 -0.012 0.000 0.976 271 V CB 1.652 33.472 31.823 -0.005 0.000 1.038 271 V HN 0.594 nan 8.190 nan 0.000 0.446 272 S N 1.207 116.894 115.700 -0.020 0.000 2.537 272 S HA 0.829 5.331 4.470 0.055 0.000 0.275 272 S C -0.135 174.467 174.600 0.004 0.000 1.272 272 S CA 0.377 58.572 58.200 -0.009 0.000 1.050 272 S CB 0.446 63.648 63.200 0.003 0.000 0.961 272 S HN 1.870 nan 8.310 nan 0.000 0.496 273 A N 3.541 126.362 122.820 0.001 0.000 2.602 273 A HA 0.657 5.010 4.320 0.055 0.000 0.290 273 A C -1.211 176.374 177.584 0.003 0.000 1.114 273 A CA -0.804 51.240 52.037 0.012 0.000 0.683 273 A CB 0.485 19.486 19.000 0.001 0.000 1.281 273 A HN 0.830 nan 8.150 nan 0.000 0.416 274 F N 1.776 121.604 119.950 -0.203 0.000 2.541 274 F HA 0.473 5.033 4.527 0.055 0.000 0.378 274 F C 0.863 176.545 175.800 -0.197 0.000 1.068 274 F CA 1.415 59.249 58.000 -0.277 0.000 1.199 274 F CB 0.757 39.308 39.000 -0.749 0.000 1.091 274 F HN 0.589 nan 8.300 nan 0.000 0.555 275 T N 6.900 121.071 114.554 -0.637 0.000 2.840 275 T HA 0.406 4.789 4.350 0.055 0.000 0.287 275 T C -1.998 172.391 174.700 -0.518 0.000 0.991 275 T CA -2.066 59.793 62.100 -0.402 0.000 0.964 275 T CB 1.806 70.558 68.868 -0.193 0.000 0.954 275 T HN 0.353 nan 8.240 nan 0.000 0.438 276 P HA -0.101 nan 4.420 nan 0.000 0.217 276 P C -0.202 176.990 177.300 -0.181 0.000 1.158 276 P CA 1.470 64.441 63.100 -0.215 0.000 0.887 276 P CB 0.128 31.788 31.700 -0.066 0.000 0.792 277 E N -2.584 117.530 120.200 -0.143 0.000 2.363 277 E HA 0.511 4.893 4.350 0.055 0.000 0.281 277 E C -1.776 174.769 176.600 -0.093 0.000 0.953 277 E CA -1.210 55.124 56.400 -0.110 0.000 0.778 277 E CB 1.465 31.118 29.700 -0.078 0.000 1.220 277 E HN -0.144 nan 8.360 nan 0.000 0.431 278 V N 2.447 122.322 119.914 -0.066 0.000 2.623 278 V HA 0.491 4.644 4.120 0.055 0.000 0.304 278 V C -0.702 175.386 176.094 -0.011 0.000 1.054 278 V CA -0.408 61.879 62.300 -0.022 0.000 0.882 278 V CB 1.398 33.250 31.823 0.049 0.000 1.002 278 V HN 0.809 nan 8.190 nan 0.000 0.424 279 E N 4.486 124.674 120.200 -0.020 0.000 2.328 279 E HA -0.252 4.131 4.350 0.055 0.000 0.233 279 E C 1.165 177.756 176.600 -0.015 0.000 1.219 279 E CA 1.513 57.910 56.400 -0.005 0.000 0.717 279 E CB -1.522 28.201 29.700 0.039 0.000 1.210 279 E HN 2.000 nan 8.360 nan 0.000 0.381 280 G N -2.329 106.451 108.800 -0.033 0.000 2.284 280 G HA2 -0.381 3.612 3.960 0.055 0.000 0.247 280 G HA3 -0.381 3.612 3.960 0.055 0.000 0.247 280 G C 0.469 175.354 174.900 -0.026 0.000 1.012 280 G CA 0.142 45.226 45.100 -0.027 0.000 0.618 280 G HN 0.412 nan 8.290 nan 0.000 0.521 281 V N 2.195 122.094 119.914 -0.025 0.000 2.649 281 V HA 0.628 4.781 4.120 0.055 0.000 0.292 281 V C 0.814 176.882 176.094 -0.044 0.000 1.055 281 V CA -0.255 62.029 62.300 -0.025 0.000 1.023 281 V CB 1.636 33.448 31.823 -0.018 0.000 0.992 281 V HN 0.348 nan 8.190 nan 0.000 0.480 282 L N 3.534 124.735 121.223 -0.038 0.000 2.346 282 L HA 0.554 4.927 4.340 0.055 0.000 0.274 282 L C 0.327 177.152 176.870 -0.075 0.000 1.007 282 L CA -0.539 54.270 54.840 -0.053 0.000 0.818 282 L CB 1.584 43.635 42.059 -0.014 0.000 1.284 282 L HN 0.802 nan 8.230 nan 0.000 0.424 286 S N 5.642 121.340 115.700 -0.004 0.000 2.457 286 S HA 0.879 5.382 4.470 0.055 0.000 0.289 286 S C -0.450 174.152 174.600 0.004 0.000 1.163 286 S CA -0.324 57.885 58.200 0.015 0.000 1.078 286 S CB 0.723 63.986 63.200 0.105 0.000 0.987 286 S HN 1.079 nan 8.310 nan 0.000 0.482 287 L N -0.193 121.020 121.223 -0.017 0.000 2.765 287 L HA 0.687 5.060 4.340 0.055 0.000 0.263 287 L C -0.941 175.913 176.870 -0.026 0.000 1.068 287 L CA -1.040 53.794 54.840 -0.011 0.000 0.903 287 L CB 1.487 43.538 42.059 -0.014 0.000 1.512 287 L HN 0.336 nan 8.230 nan 0.000 0.404 288 S N 1.515 117.197 115.700 -0.031 0.000 2.474 288 S HA 0.727 5.230 4.470 0.055 0.000 0.276 288 S C -0.227 174.308 174.600 -0.108 0.000 1.227 288 S CA -0.378 57.787 58.200 -0.058 0.000 1.050 288 S CB 0.236 63.406 63.200 -0.049 0.000 0.939 288 S HN 0.387 nan 8.310 nan 0.000 0.490 289 L N 3.685 124.829 121.223 -0.132 0.000 2.303 289 L HA 0.569 4.942 4.340 0.055 0.000 0.256 289 L C -2.665 174.050 176.870 -0.257 0.000 1.034 289 L CA -3.032 51.670 54.840 -0.229 0.000 0.832 289 L CB 1.810 43.765 42.059 -0.174 0.000 1.403 289 L HN 0.292 nan 8.230 nan 0.000 0.419 290 P HA 0.281 nan 4.420 nan 0.000 0.276 290 P C -1.388 175.828 177.300 -0.139 0.000 1.253 290 P CA -0.150 62.733 63.100 -0.363 0.000 0.766 290 P CB 0.518 31.857 31.700 -0.602 0.000 0.845 291 R N 2.900 123.371 120.500 -0.047 0.000 2.837 291 R HA 0.596 4.968 4.340 0.055 0.000 0.271 291 R C -0.411 175.923 176.300 0.057 0.000 0.993 291 R CA -1.106 54.999 56.100 0.009 0.000 0.931 291 R CB 1.924 32.234 30.300 0.018 0.000 1.206 291 R HN 0.370 nan 8.270 nan 0.000 0.474 292 I N 2.695 123.298 120.570 0.055 0.000 2.312 292 I HA 0.168 4.371 4.170 0.055 0.000 0.291 292 I C -0.568 175.605 176.117 0.094 0.000 1.031 292 I CA -0.733 60.611 61.300 0.073 0.000 1.293 292 I CB 1.058 39.087 38.000 0.048 0.000 1.403 292 I HN 0.204 nan 8.210 nan 0.000 0.484 293 L N 7.327 128.640 121.223 0.150 0.000 2.287 293 L HA 0.813 5.186 4.340 0.055 0.000 0.287 293 L C 0.049 176.979 176.870 0.099 0.000 1.022 293 L CA 0.357 55.272 54.840 0.125 0.000 0.814 293 L CB 1.125 43.273 42.059 0.149 0.000 1.217 293 L HN 0.641 nan 8.230 nan 0.000 0.420 294 G N 2.370 111.205 108.800 0.058 0.000 3.135 294 G HA2 0.533 4.526 3.960 0.055 0.000 0.278 294 G HA3 0.533 4.526 3.960 0.055 0.000 0.278 294 G C 0.321 175.237 174.900 0.027 0.000 1.302 294 G CA -0.083 45.044 45.100 0.045 0.000 0.880 294 G HN 0.760 nan 8.290 nan 0.000 0.574 295 A N -1.028 121.806 122.820 0.023 0.000 2.032 295 A HA 0.179 4.532 4.320 0.055 0.000 0.221 295 A C 2.055 179.648 177.584 0.015 0.000 1.165 295 A CA 2.407 54.453 52.037 0.016 0.000 0.645 295 A CB -0.594 18.415 19.000 0.015 0.000 0.807 295 A HN 1.469 nan 8.150 nan 0.000 0.453 296 G N -2.075 106.737 108.800 0.019 0.000 3.502 296 G HA2 0.507 4.500 3.960 0.055 0.000 0.267 296 G HA3 0.507 4.500 3.960 0.055 0.000 0.267 296 G C 0.777 175.691 174.900 0.023 0.000 1.090 296 G CA 0.543 45.655 45.100 0.020 0.000 0.795 296 G HN 1.550 nan 8.290 nan 0.000 0.535 297 G N -0.527 108.286 108.800 0.021 0.000 2.512 297 G HA2 0.061 4.054 3.960 0.055 0.000 0.210 297 G HA3 0.061 4.054 3.960 0.055 0.000 0.210 297 G C 0.089 175.006 174.900 0.030 0.000 1.295 297 G CA -0.075 45.038 45.100 0.022 0.000 0.934 297 G HN 1.386 nan 8.290 nan 0.000 0.554 298 V N -0.482 119.450 119.914 0.030 0.000 2.555 298 V HA 0.665 4.818 4.120 0.055 0.000 0.286 298 V C 0.406 176.520 176.094 0.033 0.000 1.044 298 V CA 0.775 63.096 62.300 0.036 0.000 1.026 298 V CB 0.718 32.558 31.823 0.029 0.000 0.981 298 V HN 1.323 nan 8.190 nan 0.000 0.480 302 T N 0.179 114.753 114.554 0.033 0.000 2.888 302 T HA 0.601 4.984 4.350 0.055 0.000 0.284 302 T C -0.342 174.389 174.700 0.051 0.000 1.017 302 T CA -0.512 61.610 62.100 0.037 0.000 1.022 302 T CB 2.020 70.924 68.868 0.060 0.000 1.013 302 T HN 0.560 nan 8.240 nan 0.000 0.465 303 V N 3.332 123.263 119.914 0.028 0.000 2.266 303 V HA 0.257 4.410 4.120 0.055 0.000 0.271 303 V C -1.049 175.070 176.094 0.042 0.000 1.032 303 V CA -0.867 61.463 62.300 0.049 0.000 0.806 303 V CB -0.095 31.755 31.823 0.045 0.000 1.052 303 V HN 0.828 nan 8.190 nan 0.000 0.449 304 Y N 7.508 127.804 120.300 -0.006 0.000 2.393 304 Y HA 0.498 5.081 4.550 0.055 0.000 0.338 304 Y C -1.436 174.488 175.900 0.040 0.000 1.029 304 Y CA -1.537 56.560 58.100 -0.004 0.000 1.239 304 Y CB 1.267 39.723 38.460 -0.008 0.000 1.170 304 Y HN 0.475 nan 8.280 nan 0.000 0.515 305 P HA 0.174 nan 4.420 nan 0.000 0.285 305 P C -0.806 176.594 177.300 0.166 0.000 1.269 305 P CA -0.720 62.462 63.100 0.137 0.000 0.844 305 P CB 1.609 33.427 31.700 0.196 0.000 1.094 306 S N 0.896 116.691 115.700 0.157 0.000 2.563 306 S HA 0.151 4.654 4.470 0.055 0.000 0.294 306 S C -0.047 174.634 174.600 0.135 0.000 1.279 306 S CA -0.141 58.145 58.200 0.143 0.000 1.069 306 S CB -0.863 62.403 63.200 0.110 0.000 0.828 306 S HN 0.286 nan 8.310 nan 0.000 0.497 307 L N 4.044 125.351 121.223 0.139 0.000 2.333 307 L HA 0.515 4.888 4.340 0.055 0.000 0.269 307 L C 0.538 177.471 176.870 0.106 0.000 1.010 307 L CA -0.887 54.026 54.840 0.122 0.000 0.818 307 L CB 2.207 44.343 42.059 0.128 0.000 1.306 307 L HN 0.789 nan 8.230 nan 0.000 0.430 308 S N 0.851 116.612 115.700 0.101 0.000 2.645 308 S HA 0.359 4.862 4.470 0.055 0.000 0.266 308 S C -2.054 172.589 174.600 0.073 0.000 1.258 308 S CA -0.992 57.259 58.200 0.084 0.000 0.990 308 S CB 1.158 64.411 63.200 0.088 0.000 0.967 308 S HN 0.426 nan 8.310 nan 0.000 0.556 309 P HA -0.073 nan 4.420 nan 0.000 0.219 309 P C 1.326 178.652 177.300 0.044 0.000 1.150 309 P CA 1.018 64.146 63.100 0.046 0.000 0.814 309 P CB -0.053 31.667 31.700 0.034 0.000 0.787 310 E N 0.429 120.656 120.200 0.046 0.000 2.216 310 E HA -0.137 4.246 4.350 0.055 0.000 0.192 310 E C 1.576 178.207 176.600 0.052 0.000 0.988 310 E CA 1.021 57.445 56.400 0.041 0.000 0.834 310 E CB -0.723 28.997 29.700 0.033 0.000 0.772 310 E HN 0.355 nan 8.360 nan 0.000 0.479 311 E N 1.170 121.412 120.200 0.069 0.000 2.051 311 E HA -0.051 4.331 4.350 0.055 0.000 0.189 311 E C 2.225 178.863 176.600 0.063 0.000 0.979 311 E CA 0.529 56.973 56.400 0.074 0.000 0.803 311 E CB -0.071 29.686 29.700 0.096 0.000 0.761 311 E HN 0.092 nan 8.360 nan 0.000 0.451 312 R N 0.961 121.505 120.500 0.072 0.000 2.103 312 R HA -0.251 4.122 4.340 0.055 0.000 0.242 312 R C 2.194 178.528 176.300 0.056 0.000 1.142 312 R CA 1.905 58.052 56.100 0.077 0.000 0.960 312 R CB 0.005 30.351 30.300 0.077 0.000 0.858 312 R HN 0.020 nan 8.270 nan 0.000 0.439 313 E N -0.099 120.127 120.200 0.043 0.000 2.112 313 E HA -0.019 4.364 4.350 0.055 0.000 0.190 313 E C 1.563 178.177 176.600 0.025 0.000 0.979 313 E CA 1.388 57.806 56.400 0.029 0.000 0.814 313 E CB -0.133 29.581 29.700 0.024 0.000 0.762 313 E HN 0.384 nan 8.360 nan 0.000 0.460 314 A N 0.379 123.216 122.820 0.028 0.000 2.067 314 A HA -0.032 4.321 4.320 0.055 0.000 0.219 314 A C 2.062 179.657 177.584 0.018 0.000 1.158 314 A CA 1.246 53.295 52.037 0.020 0.000 0.661 314 A CB -0.518 18.496 19.000 0.023 0.000 0.801 314 A HN 0.380 nan 8.150 nan 0.000 0.452 315 L N -0.347 120.892 121.223 0.027 0.000 2.127 315 L HA 0.065 4.438 4.340 0.055 0.000 0.203 315 L C 2.345 179.231 176.870 0.027 0.000 1.080 315 L CA 1.918 56.773 54.840 0.026 0.000 0.768 315 L CB -0.619 41.465 42.059 0.042 0.000 0.924 315 L HN 0.452 nan 8.230 nan 0.000 0.444 316 R N -0.432 120.086 120.500 0.030 0.000 2.091 316 R HA -0.252 4.121 4.340 0.055 0.000 0.238 316 R C 2.464 178.771 176.300 0.011 0.000 1.136 316 R CA 1.981 58.094 56.100 0.021 0.000 0.959 316 R CB -0.223 30.087 30.300 0.017 0.000 0.856 316 R HN 0.308 nan 8.270 nan 0.000 0.437 317 R N -0.248 120.258 120.500 0.010 0.000 2.090 317 R HA -0.005 4.367 4.340 0.055 0.000 0.228 317 R C 2.361 178.663 176.300 0.004 0.000 1.110 317 R CA 1.682 57.784 56.100 0.005 0.000 0.973 317 R CB -0.341 29.961 30.300 0.004 0.000 0.869 317 R HN 0.115 nan 8.270 nan 0.000 0.440 318 S N -0.363 115.340 115.700 0.005 0.000 2.355 318 S HA -0.068 4.434 4.470 0.055 0.000 0.222 318 S C 1.898 176.502 174.600 0.006 0.000 1.031 318 S CA 1.081 59.283 58.200 0.003 0.000 0.993 318 S CB -0.337 62.864 63.200 0.001 0.000 0.859 318 S HN 0.535 nan 8.310 nan 0.000 0.453 319 A N 1.747 124.571 122.820 0.007 0.000 1.873 319 A HA -0.152 4.200 4.320 0.055 0.000 0.218 319 A C 2.104 179.692 177.584 0.008 0.000 1.193 319 A CA 1.720 53.760 52.037 0.005 0.000 0.629 319 A CB -0.750 18.252 19.000 0.002 0.000 0.826 319 A HN 0.531 nan 8.150 nan 0.000 0.447 320 E N -0.218 119.985 120.200 0.006 0.000 2.051 320 E HA -0.161 4.222 4.350 0.055 0.000 0.192 320 E C 2.016 178.623 176.600 0.012 0.000 0.991 320 E CA 1.149 57.552 56.400 0.005 0.000 0.799 320 E CB -0.453 29.245 29.700 -0.003 0.000 0.748 320 E HN 0.720 nan 8.360 nan 0.000 0.449 321 I N 0.980 121.556 120.570 0.011 0.000 2.236 321 I HA -0.319 3.884 4.170 0.055 0.000 0.249 321 I C 2.420 178.555 176.117 0.030 0.000 1.102 321 I CA 1.103 62.412 61.300 0.016 0.000 1.365 321 I CB -0.206 37.799 38.000 0.009 0.000 1.051 321 I HN 0.082 nan 8.210 nan 0.000 0.420 322 L N -0.238 121.003 121.223 0.030 0.000 2.162 322 L HA -0.121 4.252 4.340 0.055 0.000 0.205 322 L C 2.521 179.430 176.870 0.065 0.000 1.086 322 L CA 0.616 55.481 54.840 0.042 0.000 0.778 322 L CB -0.360 41.718 42.059 0.031 0.000 0.928 322 L HN 0.088 nan 8.230 nan 0.000 0.446 323 K N 1.069 121.504 120.400 0.059 0.000 2.063 323 K HA -0.260 4.093 4.320 0.055 0.000 0.208 323 K C 1.918 178.591 176.600 0.121 0.000 1.048 323 K CA 1.858 58.195 56.287 0.083 0.000 0.928 323 K CB -0.126 32.404 32.500 0.050 0.000 0.713 323 K HN 0.173 nan 8.250 nan 0.000 0.442 324 E N -0.346 119.908 120.200 0.090 0.000 2.204 324 E HA -0.043 4.340 4.350 0.055 0.000 0.194 324 E C 1.527 178.236 176.600 0.181 0.000 0.989 324 E CA 1.333 57.802 56.400 0.115 0.000 0.824 324 E CB -0.309 29.418 29.700 0.044 0.000 0.756 324 E HN 0.310 nan 8.360 nan 0.000 0.477 325 A N 0.497 123.395 122.820 0.129 0.000 2.016 325 A HA 0.189 4.541 4.320 0.055 0.000 0.217 325 A C 2.359 180.029 177.584 0.143 0.000 1.162 325 A CA 1.310 53.419 52.037 0.119 0.000 0.662 325 A CB -0.639 18.405 19.000 0.073 0.000 0.812 325 A HN 0.390 nan 8.150 nan 0.000 0.450 326 A N -0.934 121.986 122.820 0.167 0.000 1.929 326 A HA 0.025 4.378 4.320 0.055 0.000 0.216 326 A C 1.959 179.669 177.584 0.209 0.000 1.176 326 A CA 1.353 53.510 52.037 0.200 0.000 0.628 326 A CB -0.702 18.427 19.000 0.215 0.000 0.816 326 A HN 0.665 nan 8.150 nan 0.000 0.444 327 F N 1.355 121.357 119.950 0.087 0.000 2.091 327 F HA -0.178 4.382 4.527 0.055 0.000 0.299 327 F C 2.381 178.210 175.800 0.047 0.000 1.103 327 F CA 1.532 59.566 58.000 0.057 0.000 1.228 327 F CB -0.369 38.654 39.000 0.039 0.000 0.984 327 F HN 0.227 nan 8.300 nan 0.000 0.477 328 A N -0.057 122.810 122.820 0.079 0.000 2.067 328 A HA -0.041 4.312 4.320 0.055 0.000 0.219 328 A C 2.208 179.735 177.584 -0.094 0.000 1.158 328 A CA 1.380 53.402 52.037 -0.025 0.000 0.661 328 A CB -0.862 18.209 19.000 0.118 0.000 0.801 328 A HN 0.537 nan 8.150 nan 0.000 0.452 329 L N -1.959 119.259 121.223 -0.009 0.000 2.513 329 L HA 0.207 4.580 4.340 0.055 0.000 0.222 329 L C 1.490 178.320 176.870 -0.067 0.000 1.096 329 L CA 0.681 55.570 54.840 0.082 0.000 0.857 329 L CB 0.112 42.353 42.059 0.304 0.000 1.026 329 L HN 0.575 nan 8.230 nan 0.000 0.469 330 G N 0.027 108.695 108.800 -0.219 0.000 2.165 330 G HA2 -0.266 3.727 3.960 0.055 0.000 0.226 330 G HA3 -0.266 3.727 3.960 0.055 0.000 0.226 330 G C -0.261 174.306 174.900 -0.554 0.000 1.035 330 G CA -0.229 44.615 45.100 -0.427 0.000 0.744 330 G HN 0.160 nan 8.290 nan 0.000 0.501 331 F N 0.000 119.936 119.950 -0.023 0.000 2.286 331 F HA 0.000 4.560 4.527 0.056 0.000 0.279 331 F CA 0.000 58.014 58.000 0.024 0.000 1.383 331 F CB 0.000 39.014 39.000 0.023 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574