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_D DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVRAX XGSYGDLEGA RAVVLAAGVA QXXXXXXXXQ 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 0.000 176.301 176.300 0.002 0.000 1.140 22 M CA 0.000 55.305 55.300 0.008 0.000 0.988 22 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 23 K N 1.767 122.161 120.400 -0.012 0.000 2.324 23 K HA 0.839 5.179 4.320 0.033 0.000 0.253 23 K C -1.975 174.602 176.600 -0.039 0.000 0.932 23 K CA -0.576 55.691 56.287 -0.032 0.000 0.799 23 K CB 2.179 34.653 32.500 -0.043 0.000 1.154 23 K HN 0.544 nan 8.250 nan 0.000 0.425 24 V N 2.175 122.058 119.914 -0.052 0.000 2.540 24 V HA 0.543 4.683 4.120 0.033 0.000 0.302 24 V C 0.233 176.287 176.094 -0.067 0.000 1.035 24 V CA -0.868 61.402 62.300 -0.050 0.000 0.873 24 V CB 1.713 33.511 31.823 -0.042 0.000 0.992 24 V HN 0.931 nan 8.190 nan 0.000 0.428 25 G N 3.723 112.486 108.800 -0.062 0.000 2.371 25 G HA2 0.768 4.748 3.960 0.033 0.000 0.326 25 G HA3 0.768 4.748 3.960 0.033 0.000 0.326 25 G C -0.955 173.903 174.900 -0.070 0.000 1.127 25 G CA -0.516 44.540 45.100 -0.074 0.000 0.885 25 G HN 0.623 nan 8.290 nan 0.000 0.477 26 I N 1.915 122.434 120.570 -0.085 0.000 2.476 26 I HA 0.191 4.381 4.170 0.033 0.000 0.281 26 I C -0.536 175.522 176.117 -0.098 0.000 1.040 26 I CA -0.801 60.451 61.300 -0.079 0.000 1.094 26 I CB 2.229 40.186 38.000 -0.073 0.000 1.219 26 I HN 0.051 nan 8.210 nan 0.000 0.450 27 V N 5.311 125.171 119.914 -0.090 0.000 2.406 27 V HA 0.762 4.902 4.120 0.033 0.000 0.272 27 V C 0.601 176.651 176.094 -0.074 0.000 1.043 27 V CA -0.276 61.965 62.300 -0.099 0.000 0.915 27 V CB 0.862 32.648 31.823 -0.062 0.000 0.988 27 V HN 1.038 nan 8.190 nan 0.000 0.466 28 G N 3.597 112.352 108.800 -0.075 0.000 3.445 28 G HA2 -0.089 3.891 3.960 0.033 0.000 0.686 28 G HA3 -0.089 3.891 3.960 0.033 0.000 0.686 28 G C -0.119 174.738 174.900 -0.072 0.000 1.113 28 G CA -0.108 44.962 45.100 -0.049 0.000 0.974 28 G HN 0.985 nan 8.290 nan 0.000 0.492 29 S N 1.784 117.442 115.700 -0.070 0.000 2.457 29 S HA 0.614 5.104 4.470 0.033 0.000 0.237 29 S C 1.395 175.909 174.600 -0.143 0.000 1.213 29 S CA 0.888 59.022 58.200 -0.109 0.000 1.218 29 S CB -0.547 62.632 63.200 -0.035 0.000 0.922 29 S HN 1.685 nan 8.310 nan 0.000 0.488 30 G N 1.596 110.313 108.800 -0.139 0.000 2.666 30 G HA2 0.296 4.276 3.960 0.033 0.000 0.207 30 G HA3 0.296 4.276 3.960 0.033 0.000 0.207 30 G C 1.033 175.760 174.900 -0.288 0.000 1.481 30 G CA -0.250 44.769 45.100 -0.136 0.000 1.071 30 G HN 0.385 nan 8.290 nan 0.000 0.572 31 M N -0.647 118.795 119.600 -0.263 0.000 2.236 31 M HA 0.026 4.526 4.480 0.033 0.000 0.266 31 M C 2.693 178.816 176.300 -0.295 0.000 1.070 31 M CA 0.638 55.667 55.300 -0.452 0.000 1.137 31 M CB -1.116 31.076 32.600 -0.679 0.000 1.378 31 M HN 0.202 nan 8.290 nan 0.000 0.426 32 V N 0.276 120.121 119.914 -0.115 0.000 2.270 32 V HA -0.149 3.991 4.120 0.033 0.000 0.245 32 V C 2.639 178.697 176.094 -0.060 0.000 1.043 32 V CA 2.123 64.410 62.300 -0.022 0.000 1.014 32 V CB -1.719 30.114 31.823 0.017 0.000 0.645 32 V HN 0.523 nan 8.190 nan 0.000 0.447 33 G N 0.095 108.836 108.800 -0.099 0.000 2.418 33 G HA2 -0.286 3.694 3.960 0.033 0.000 0.217 33 G HA3 -0.286 3.694 3.960 0.033 0.000 0.217 33 G C 1.892 176.704 174.900 -0.147 0.000 1.158 33 G CA 1.504 46.540 45.100 -0.106 0.000 0.771 33 G HN 0.639 nan 8.290 nan 0.000 0.545 34 S N 0.769 116.300 115.700 -0.281 0.000 2.414 34 S HA 0.324 4.814 4.470 0.033 0.000 0.227 34 S C 2.577 177.098 174.600 -0.132 0.000 1.022 34 S CA 1.238 59.230 58.200 -0.347 0.000 0.958 34 S CB -0.265 62.367 63.200 -0.946 0.000 0.797 34 S HN 0.532 nan 8.310 nan 0.000 0.493 35 A N 1.781 124.543 122.820 -0.097 0.000 1.930 35 A HA 0.018 4.358 4.320 0.033 0.000 0.217 35 A C 2.370 180.052 177.584 0.164 0.000 1.175 35 A CA 1.958 54.056 52.037 0.102 0.000 0.627 35 A CB -1.621 17.456 19.000 0.130 0.000 0.815 35 A HN 0.569 nan 8.150 nan 0.000 0.443 36 T N 0.484 115.081 114.554 0.071 0.000 2.708 36 T HA -0.071 4.299 4.350 0.033 0.000 0.266 36 T C 2.237 176.978 174.700 0.068 0.000 1.037 36 T CA 1.709 63.846 62.100 0.061 0.000 1.146 36 T CB -0.498 68.379 68.868 0.014 0.000 0.865 36 T HN 0.599 nan 8.240 nan 0.000 0.435 37 A N 0.392 123.244 122.820 0.055 0.000 1.933 37 A HA -0.113 4.227 4.320 0.033 0.000 0.218 37 A C 2.120 179.794 177.584 0.151 0.000 1.175 37 A CA 1.510 53.587 52.037 0.067 0.000 0.628 37 A CB -0.937 18.086 19.000 0.038 0.000 0.814 37 A HN 0.560 nan 8.150 nan 0.000 0.444 38 Y N 0.510 120.835 120.300 0.041 0.000 2.163 38 Y HA -0.015 4.553 4.550 0.030 0.000 0.288 38 Y C 2.710 178.661 175.900 0.086 0.000 1.136 38 Y CA 0.891 59.038 58.100 0.079 0.000 1.147 38 Y CB -0.800 37.722 38.460 0.104 0.000 0.987 38 Y HN 0.308 nan 8.280 nan 0.000 0.509 39 A N 0.363 123.250 122.820 0.111 0.000 1.883 39 A HA -0.212 4.128 4.320 0.033 0.000 0.217 39 A C 2.348 179.927 177.584 -0.008 0.000 1.186 39 A CA 2.077 54.121 52.037 0.013 0.000 0.624 39 A CB -1.293 17.750 19.000 0.072 0.000 0.822 39 A HN 0.534 nan 8.150 nan 0.000 0.444 40 L N -0.963 120.272 121.223 0.021 0.000 2.079 40 L HA -0.215 4.145 4.340 0.033 0.000 0.210 40 L C 3.050 179.929 176.870 0.015 0.000 1.081 40 L CA 1.075 55.920 54.840 0.009 0.000 0.752 40 L CB -0.476 41.589 42.059 0.011 0.000 0.896 40 L HN 0.470 nan 8.230 nan 0.000 0.433 41 A N -0.444 122.394 122.820 0.029 0.000 1.872 41 A HA -0.118 4.222 4.320 0.033 0.000 0.214 41 A C 2.091 179.715 177.584 0.066 0.000 1.187 41 A CA 1.132 53.204 52.037 0.058 0.000 0.614 41 A CB -0.523 18.534 19.000 0.094 0.000 0.826 41 A HN 0.234 nan 8.150 nan 0.000 0.442 42 L N -0.375 120.822 121.223 -0.044 0.000 2.141 42 L HA -0.013 4.347 4.340 0.033 0.000 0.209 42 L C 2.122 179.075 176.870 0.137 0.000 1.094 42 L CA 1.299 56.119 54.840 -0.035 0.000 0.763 42 L CB -0.523 41.388 42.059 -0.247 0.000 0.908 42 L HN 0.345 nan 8.230 nan 0.000 0.437 43 L N -1.037 120.229 121.223 0.072 0.000 2.558 43 L HA 0.204 4.564 4.340 0.033 0.000 0.225 43 L C 1.144 177.964 176.870 -0.083 0.000 1.128 43 L CA 0.421 55.293 54.840 0.054 0.000 0.868 43 L CB -0.588 41.470 42.059 -0.001 0.000 1.006 43 L HN 0.440 nan 8.230 nan 0.000 0.454 44 G N 0.392 109.156 108.800 -0.058 0.000 2.314 44 G HA2 -0.223 3.757 3.960 0.033 0.000 0.292 44 G HA3 -0.223 3.757 3.960 0.033 0.000 0.292 44 G C 0.564 175.340 174.900 -0.207 0.000 1.059 44 G CA 0.356 45.274 45.100 -0.303 0.000 0.982 44 G HN 0.136 nan 8.290 nan 0.000 0.505 45 V N -0.702 119.157 119.914 -0.092 0.000 2.500 45 V HA 0.500 4.640 4.120 0.033 0.000 0.243 45 V C 1.741 177.807 176.094 -0.046 0.000 1.039 45 V CA 2.304 64.565 62.300 -0.066 0.000 1.053 45 V CB -0.090 31.708 31.823 -0.041 0.000 0.695 45 V HN 1.472 nan 8.190 nan 0.000 0.463 46 A N -0.979 121.826 122.820 -0.026 0.000 2.469 46 A HA 0.728 5.068 4.320 0.033 0.000 0.299 46 A C 0.393 177.985 177.584 0.014 0.000 1.098 46 A CA -0.586 51.445 52.037 -0.010 0.000 0.737 46 A CB 1.549 20.541 19.000 -0.012 0.000 1.312 46 A HN 0.059 nan 8.150 nan 0.000 0.414 47 R N 0.059 120.578 120.500 0.030 0.000 2.210 47 R HA 0.160 4.520 4.340 0.033 0.000 0.203 47 R C -0.289 176.078 176.300 0.112 0.000 1.010 47 R CA 1.082 57.225 56.100 0.072 0.000 1.008 47 R CB 0.256 30.600 30.300 0.073 0.000 0.923 47 R HN 0.788 nan 8.270 nan 0.000 0.469 48 E N -0.142 120.093 120.200 0.057 0.000 2.224 48 E HA 0.337 4.706 4.350 0.033 0.000 0.265 48 E C -1.354 175.202 176.600 -0.073 0.000 0.878 48 E CA -0.606 55.793 56.400 -0.002 0.000 0.759 48 E CB 2.786 32.462 29.700 -0.040 0.000 1.164 48 E HN -0.208 nan 8.360 nan 0.000 0.414 49 V N 3.456 123.301 119.914 -0.115 0.000 2.409 49 V HA 0.324 4.464 4.120 0.033 0.000 0.291 49 V C -0.404 175.572 176.094 -0.197 0.000 1.020 49 V CA -0.799 61.433 62.300 -0.114 0.000 0.848 49 V CB 1.777 33.574 31.823 -0.045 0.000 0.990 49 V HN 0.416 nan 8.190 nan 0.000 0.430 50 V N 6.539 126.344 119.914 -0.182 0.000 2.409 50 V HA 0.491 4.631 4.120 0.033 0.000 0.291 50 V C -0.243 175.760 176.094 -0.151 0.000 1.020 50 V CA -0.501 61.674 62.300 -0.208 0.000 0.848 50 V CB 1.745 33.436 31.823 -0.220 0.000 0.990 50 V HN 0.644 nan 8.190 nan 0.000 0.430 51 L N 5.302 126.441 121.223 -0.139 0.000 2.295 51 L HA 0.657 5.017 4.340 0.033 0.000 0.285 51 L C -0.639 176.146 176.870 -0.142 0.000 1.035 51 L CA -0.572 54.199 54.840 -0.116 0.000 0.806 51 L CB 1.896 43.910 42.059 -0.074 0.000 1.214 51 L HN 0.380 nan 8.230 nan 0.000 0.426 52 V N 2.624 122.437 119.914 -0.167 0.000 2.487 52 V HA 0.531 4.671 4.120 0.033 0.000 0.298 52 V C -0.734 175.244 176.094 -0.195 0.000 1.028 52 V CA -0.545 61.612 62.300 -0.239 0.000 0.860 52 V CB 1.864 33.447 31.823 -0.401 0.000 0.991 52 V HN 0.709 nan 8.190 nan 0.000 0.427 53 D N 2.969 123.273 120.400 -0.161 0.000 2.736 53 D HA 0.231 4.891 4.640 0.033 0.000 0.223 53 D C 0.419 176.673 176.300 -0.077 0.000 1.231 53 D CA -0.629 53.311 54.000 -0.099 0.000 0.818 53 D CB 2.781 43.550 40.800 -0.051 0.000 1.587 53 D HN 0.361 nan 8.370 nan 0.000 0.463 54 L N 1.558 122.756 121.223 -0.041 0.000 1.989 54 L HA -0.086 4.274 4.340 0.033 0.000 0.211 54 L C 0.597 177.457 176.870 -0.016 0.000 1.071 54 L CA 1.899 56.729 54.840 -0.016 0.000 0.749 54 L CB -0.533 41.531 42.059 0.008 0.000 0.890 54 L HN 0.537 nan 8.230 nan 0.000 0.431 55 D N 0.592 120.985 120.400 -0.012 0.000 2.441 55 D HA -0.063 4.597 4.640 0.033 0.000 0.243 55 D C 1.484 177.774 176.300 -0.017 0.000 1.257 55 D CA 0.026 54.020 54.000 -0.010 0.000 1.027 55 D CB 0.432 41.230 40.800 -0.004 0.000 1.084 55 D HN -0.029 nan 8.370 nan 0.000 0.514 56 R N 2.942 123.430 120.500 -0.021 0.000 2.127 56 R HA -0.125 4.235 4.340 0.033 0.000 0.238 56 R C 1.510 177.799 176.300 -0.019 0.000 1.134 56 R CA 1.129 57.213 56.100 -0.027 0.000 0.975 56 R CB 0.026 30.312 30.300 -0.024 0.000 0.865 56 R HN 0.392 nan 8.270 nan 0.000 0.447 57 K N -0.236 120.153 120.400 -0.018 0.000 2.116 57 K HA -0.069 4.271 4.320 0.033 0.000 0.203 57 K C 1.950 178.531 176.600 -0.031 0.000 1.052 57 K CA 0.584 56.858 56.287 -0.022 0.000 0.952 57 K CB -0.197 32.288 32.500 -0.025 0.000 0.729 57 K HN -0.010 nan 8.250 nan 0.000 0.446 58 L N 0.902 122.110 121.223 -0.024 0.000 2.012 58 L HA -0.180 4.180 4.340 0.033 0.000 0.210 58 L C 2.049 178.949 176.870 0.049 0.000 1.073 58 L CA 2.171 57.002 54.840 -0.016 0.000 0.748 58 L CB -0.715 41.358 42.059 0.023 0.000 0.891 58 L HN 0.146 nan 8.230 nan 0.000 0.431 59 A N -1.239 121.607 122.820 0.044 0.000 1.898 59 A HA -0.239 4.101 4.320 0.033 0.000 0.216 59 A C 2.199 179.806 177.584 0.038 0.000 1.181 59 A CA 1.728 53.794 52.037 0.048 0.000 0.620 59 A CB -0.591 18.400 19.000 -0.015 0.000 0.819 59 A HN 0.668 nan 8.150 nan 0.000 0.442 60 Q N -0.660 119.146 119.800 0.009 0.000 2.124 60 Q HA -0.067 4.293 4.340 0.033 0.000 0.202 60 Q C 2.373 178.382 176.000 0.014 0.000 0.977 60 Q CA 1.324 57.134 55.803 0.012 0.000 0.850 60 Q CB -0.344 28.397 28.738 0.004 0.000 0.901 60 Q HN 0.698 nan 8.270 nan 0.000 0.429 61 A N 0.204 123.008 122.820 -0.027 0.000 1.854 61 A HA -0.184 4.156 4.320 0.033 0.000 0.214 61 A C 1.528 179.069 177.584 -0.072 0.000 1.192 61 A CA 1.442 53.432 52.037 -0.079 0.000 0.611 61 A CB -0.799 18.100 19.000 -0.168 0.000 0.832 61 A HN 0.369 nan 8.150 nan 0.000 0.442 62 H N -0.408 118.643 119.070 -0.032 0.000 2.352 62 H HA -0.068 4.508 4.556 0.033 0.000 0.299 62 H C 2.451 177.779 175.328 0.001 0.000 1.097 62 H CA 1.556 57.582 56.048 -0.037 0.000 1.311 62 H CB -0.008 29.722 29.762 -0.053 0.000 1.377 62 H HN 0.539 nan 8.280 nan 0.000 0.504 63 A N 0.592 123.495 122.820 0.137 0.000 1.902 63 A HA -0.235 4.105 4.320 0.033 0.000 0.217 63 A C 2.179 179.840 177.584 0.129 0.000 1.181 63 A CA 1.878 53.978 52.037 0.106 0.000 0.623 63 A CB -0.414 18.622 19.000 0.061 0.000 0.818 63 A HN 0.571 nan 8.150 nan 0.000 0.443 64 E N -0.588 119.682 120.200 0.117 0.000 2.152 64 E HA -0.209 4.161 4.350 0.033 0.000 0.192 64 E C 1.608 178.334 176.600 0.210 0.000 0.983 64 E CA 1.012 57.510 56.400 0.162 0.000 0.818 64 E CB -0.126 29.651 29.700 0.129 0.000 0.758 64 E HN 0.503 nan 8.360 nan 0.000 0.467 65 D N 0.506 120.973 120.400 0.112 0.000 2.123 65 D HA -0.162 4.498 4.640 0.033 0.000 0.196 65 D C 1.855 178.257 176.300 0.169 0.000 0.992 65 D CA 1.134 55.181 54.000 0.079 0.000 0.833 65 D CB -0.102 40.695 40.800 -0.004 0.000 0.954 65 D HN 0.296 nan 8.370 nan 0.000 0.455 66 I N 0.298 120.977 120.570 0.183 0.000 2.439 66 I HA -0.168 4.021 4.170 0.033 0.000 0.251 66 I C 2.374 178.652 176.117 0.268 0.000 1.139 66 I CA 0.142 61.597 61.300 0.258 0.000 1.438 66 I CB -0.035 38.121 38.000 0.260 0.000 1.085 66 I HN 0.159 nan 8.210 nan 0.000 0.427 67 L N 0.603 121.965 121.223 0.231 0.000 2.127 67 L HA -0.270 4.090 4.340 0.033 0.000 0.211 67 L C 2.459 179.423 176.870 0.156 0.000 1.089 67 L CA 2.073 57.024 54.840 0.185 0.000 0.757 67 L CB -1.119 41.038 42.059 0.164 0.000 0.899 67 L HN 0.414 nan 8.230 nan 0.000 0.434 68 H N -0.966 118.197 119.070 0.155 0.000 2.521 68 H HA -0.031 4.545 4.556 0.033 0.000 0.286 68 H C 1.933 177.435 175.328 0.289 0.000 1.034 68 H CA 1.027 57.185 56.048 0.183 0.000 1.278 68 H CB 0.411 30.263 29.762 0.150 0.000 1.386 68 H HN 0.422 nan 8.280 nan 0.000 0.567 69 A N 0.592 123.644 122.820 0.387 0.000 2.021 69 A HA -0.089 4.250 4.320 0.033 0.000 0.216 69 A C 2.571 180.362 177.584 0.345 0.000 1.163 69 A CA 1.204 53.495 52.037 0.423 0.000 0.676 69 A CB -0.508 18.758 19.000 0.444 0.000 0.818 69 A HN 0.482 nan 8.150 nan 0.000 0.453 70 T N -1.841 112.836 114.554 0.205 0.000 2.881 70 T HA -0.044 4.326 4.350 0.033 0.000 0.270 70 T C -0.453 174.243 174.700 -0.007 0.000 1.068 70 T CA 1.262 63.425 62.100 0.105 0.000 1.131 70 T CB -1.442 67.483 68.868 0.095 0.000 0.871 70 T HN 0.331 nan 8.240 nan 0.000 0.479 71 P HA 0.046 nan 4.420 nan 0.000 0.222 71 P C 0.435 177.419 177.300 -0.526 0.000 1.147 71 P CA 0.745 63.603 63.100 -0.403 0.000 0.790 71 P CB -0.317 30.996 31.700 -0.645 0.000 0.780 72 F N -2.409 117.529 119.950 -0.019 0.000 2.641 72 F HA 0.472 5.019 4.527 0.034 0.000 0.302 72 F C 1.546 177.289 175.800 -0.096 0.000 1.098 72 F CA -0.120 57.858 58.000 -0.038 0.000 1.318 72 F CB -0.094 38.905 39.000 -0.003 0.000 1.035 72 F HN -0.076 nan 8.300 nan 0.000 0.551 73 A N -1.098 121.697 122.820 -0.042 0.000 1.770 73 A HA 0.503 4.843 4.320 0.033 0.000 0.169 73 A C -0.789 176.498 177.584 -0.496 0.000 1.750 73 A CA -0.061 51.826 52.037 -0.251 0.000 1.687 73 A CB 0.480 19.413 19.000 -0.112 0.000 1.516 73 A HN 0.252 nan 8.150 nan 0.000 0.956 74 H N -0.667 118.411 119.070 0.013 0.000 2.821 74 H HA 0.518 5.093 4.556 0.032 0.000 0.373 74 H C -2.879 172.455 175.328 0.010 0.000 1.165 74 H CA -1.979 54.072 56.048 0.005 0.000 1.154 74 H CB 1.443 31.209 29.762 0.007 0.000 1.765 74 H HN 0.178 nan 8.280 nan 0.000 0.549 75 P HA 0.062 nan 4.420 nan 0.000 0.267 75 P C -1.026 176.338 177.300 0.108 0.000 1.328 75 P CA 0.203 63.351 63.100 0.082 0.000 0.990 75 P CB 0.095 31.826 31.700 0.052 0.000 1.168 76 V N 4.375 124.364 119.914 0.126 0.000 2.686 76 V HA 0.318 4.458 4.120 0.033 0.000 0.306 76 V C -0.995 175.236 176.094 0.229 0.000 1.065 76 V CA -0.646 61.745 62.300 0.153 0.000 0.894 76 V CB 2.433 34.333 31.823 0.128 0.000 1.004 76 V HN 0.440 nan 8.190 nan 0.000 0.424 77 W N 6.651 127.963 121.300 0.020 0.000 2.316 77 W HA 0.637 5.317 4.660 0.033 0.000 0.339 77 W C -0.742 175.790 176.519 0.023 0.000 1.002 77 W CA -1.049 56.306 57.345 0.017 0.000 1.465 77 W CB 0.759 30.224 29.460 0.007 0.000 1.300 77 W HN 0.346 nan 8.180 nan 0.000 0.378 78 V N 7.999 128.016 119.914 0.171 0.000 2.465 78 V HA 0.596 4.736 4.120 0.033 0.000 0.279 78 V C 0.204 176.264 176.094 -0.056 0.000 1.045 78 V CA -0.596 61.705 62.300 0.001 0.000 0.938 78 V CB 0.931 32.808 31.823 0.090 0.000 0.986 78 V HN 0.460 nan 8.190 nan 0.000 0.467 79 R N 3.457 123.838 120.500 -0.198 0.000 2.663 79 R HA 0.827 5.187 4.340 0.033 0.000 0.267 79 R C -0.674 175.543 176.300 -0.138 0.000 1.038 79 R CA -0.626 55.384 56.100 -0.150 0.000 0.886 79 R CB 1.650 31.780 30.300 -0.284 0.000 1.249 79 R HN 0.674 nan 8.270 nan 0.000 0.463 84 S N -1.152 114.464 115.700 -0.140 0.000 2.738 84 S HA 0.511 5.001 4.470 0.033 0.000 0.284 84 S C 0.954 175.443 174.600 -0.184 0.000 1.146 84 S CA -0.461 57.631 58.200 -0.181 0.000 0.997 84 S CB 0.883 64.044 63.200 -0.065 0.000 1.081 84 S HN 0.536 nan 8.310 nan 0.000 0.553 85 Y N 0.867 121.140 120.300 -0.045 0.000 2.256 85 Y HA 0.021 4.591 4.550 0.033 0.000 0.288 85 Y C 2.723 178.595 175.900 -0.047 0.000 1.155 85 Y CA 1.593 59.663 58.100 -0.051 0.000 1.203 85 Y CB -1.143 37.288 38.460 -0.047 0.000 0.980 85 Y HN 0.869 nan 8.280 nan 0.000 0.530 86 G N -0.428 108.434 108.800 0.104 0.000 2.432 86 G HA2 -0.213 3.767 3.960 0.033 0.000 0.219 86 G HA3 -0.213 3.767 3.960 0.033 0.000 0.219 86 G C 1.215 176.122 174.900 0.011 0.000 1.135 86 G CA 1.181 46.311 45.100 0.050 0.000 0.767 86 G HN 0.344 nan 8.290 nan 0.000 0.550 87 D N 0.304 120.691 120.400 -0.022 0.000 2.363 87 D HA 0.031 4.691 4.640 0.033 0.000 0.226 87 D C 1.979 178.238 176.300 -0.069 0.000 1.020 87 D CA 0.124 54.089 54.000 -0.058 0.000 0.892 87 D CB 0.225 40.965 40.800 -0.101 0.000 0.900 87 D HN 0.329 nan 8.370 nan 0.000 0.531 88 L N 0.796 121.998 121.223 -0.035 0.000 2.627 88 L HA 0.035 4.395 4.340 0.033 0.000 0.233 88 L C 0.835 177.693 176.870 -0.020 0.000 1.144 88 L CA -0.133 54.689 54.840 -0.031 0.000 0.892 88 L CB -0.295 41.769 42.059 0.008 0.000 1.039 88 L HN -0.161 nan 8.230 nan 0.000 0.442 89 E N 1.270 121.461 120.200 -0.015 0.000 2.493 89 E HA 0.132 4.502 4.350 0.033 0.000 0.255 89 E C 1.207 177.802 176.600 -0.010 0.000 0.999 89 E CA 1.003 57.398 56.400 -0.007 0.000 0.934 89 E CB 0.156 29.856 29.700 -0.001 0.000 0.940 89 E HN 0.324 nan 8.360 nan 0.000 0.473 90 G N 2.700 111.496 108.800 -0.007 0.000 2.159 90 G HA2 -0.266 3.714 3.960 0.033 0.000 0.256 90 G HA3 -0.266 3.714 3.960 0.033 0.000 0.256 90 G C 0.328 175.222 174.900 -0.010 0.000 0.977 90 G CA 0.017 45.114 45.100 -0.005 0.000 0.652 90 G HN 0.989 nan 8.290 nan 0.000 0.531 91 A N 0.060 122.869 122.820 -0.017 0.000 2.454 91 A HA 0.666 5.006 4.320 0.033 0.000 0.260 91 A C 1.286 178.859 177.584 -0.017 0.000 1.106 91 A CA 1.039 53.062 52.037 -0.023 0.000 0.780 91 A CB 0.283 19.265 19.000 -0.031 0.000 1.044 91 A HN 0.616 nan 8.150 nan 0.000 0.498 92 R N 1.754 122.244 120.500 -0.017 0.000 2.153 92 R HA 0.213 4.573 4.340 0.033 0.000 0.218 92 R C 0.444 176.734 176.300 -0.016 0.000 1.072 92 R CA 1.324 57.416 56.100 -0.013 0.000 0.990 92 R CB 0.048 30.342 30.300 -0.010 0.000 0.889 92 R HN 0.833 nan 8.270 nan 0.000 0.452 93 A N 0.317 123.124 122.820 -0.023 0.000 2.422 93 A HA 0.586 4.926 4.320 0.033 0.000 0.302 93 A C -1.470 176.095 177.584 -0.033 0.000 1.041 93 A CA -0.622 51.398 52.037 -0.027 0.000 0.708 93 A CB 2.298 21.279 19.000 -0.031 0.000 1.257 93 A HN 0.019 nan 8.150 nan 0.000 0.414 94 V N 2.532 122.426 119.914 -0.033 0.000 2.525 94 V HA 0.381 4.521 4.120 0.033 0.000 0.299 94 V C -0.332 175.735 176.094 -0.045 0.000 1.034 94 V CA -0.634 61.642 62.300 -0.040 0.000 0.863 94 V CB 1.642 33.443 31.823 -0.035 0.000 0.999 94 V HN 0.703 nan 8.190 nan 0.000 0.423 95 V N 6.365 126.251 119.914 -0.047 0.000 2.461 95 V HA 0.356 4.496 4.120 0.033 0.000 0.275 95 V C 0.070 176.130 176.094 -0.056 0.000 1.047 95 V CA -0.289 61.985 62.300 -0.043 0.000 0.955 95 V CB 1.393 33.194 31.823 -0.037 0.000 0.988 95 V HN 0.642 nan 8.190 nan 0.000 0.471 96 L N 5.220 126.410 121.223 -0.054 0.000 2.314 96 L HA 0.583 4.943 4.340 0.033 0.000 0.275 96 L C 0.546 177.430 176.870 0.022 0.000 1.068 96 L CA -0.213 54.572 54.840 -0.092 0.000 0.894 96 L CB 0.911 42.813 42.059 -0.262 0.000 1.275 96 L HN 0.718 nan 8.230 nan 0.000 0.432 97 A N 2.362 125.189 122.820 0.011 0.000 3.215 97 A HA 0.648 4.988 4.320 0.033 0.000 0.320 97 A C 0.937 178.550 177.584 0.049 0.000 1.084 97 A CA -0.055 52.008 52.037 0.044 0.000 0.969 97 A CB 0.370 19.375 19.000 0.007 0.000 1.064 97 A HN 0.708 nan 8.150 nan 0.000 0.513 98 A N 0.036 122.920 122.820 0.107 0.000 2.431 98 A HA 0.532 4.872 4.320 0.033 0.000 0.239 98 A C 1.273 178.947 177.584 0.149 0.000 1.230 98 A CA 0.404 52.502 52.037 0.102 0.000 0.928 98 A CB -0.373 18.673 19.000 0.077 0.000 1.006 98 A HN 1.255 nan 8.150 nan 0.000 0.520 99 G N 0.076 108.973 108.800 0.160 0.000 2.241 99 G HA2 0.260 4.240 3.960 0.033 0.000 0.235 99 G HA3 0.260 4.240 3.960 0.033 0.000 0.235 99 G C 0.081 175.023 174.900 0.070 0.000 1.127 99 G CA 0.898 46.059 45.100 0.101 0.000 0.867 99 G HN 0.956 nan 8.290 nan 0.000 0.473 100 V N 2.766 122.715 119.914 0.059 0.000 2.667 100 V HA 0.808 4.948 4.120 0.033 0.000 0.308 100 V C 0.743 176.856 176.094 0.031 0.000 1.048 100 V CA -0.342 61.984 62.300 0.044 0.000 0.928 100 V CB 1.491 33.343 31.823 0.048 0.000 1.004 100 V HN 1.437 nan 8.190 nan 0.000 0.444 101 A N 5.165 128.000 122.820 0.025 0.000 2.498 101 A HA 0.443 4.783 4.320 0.033 0.000 0.239 101 A C 0.280 177.875 177.584 0.019 0.000 1.068 101 A CA 0.287 52.336 52.037 0.020 0.000 0.766 101 A CB 0.018 19.028 19.000 0.016 0.000 1.003 101 A HN 1.137 nan 8.150 nan 0.000 0.497 112 L N 1.392 122.621 121.223 0.010 0.000 2.043 112 L HA -0.238 4.122 4.340 0.033 0.000 0.212 112 L C 2.000 178.868 176.870 -0.003 0.000 1.075 112 L CA 1.635 56.479 54.840 0.007 0.000 0.752 112 L CB -0.387 41.675 42.059 0.005 0.000 0.891 112 L HN 0.338 nan 8.230 nan 0.000 0.432 113 L N -0.633 120.585 121.223 -0.009 0.000 1.941 113 L HA -0.346 4.014 4.340 0.033 0.000 0.224 113 L C 2.268 179.129 176.870 -0.014 0.000 1.081 113 L CA 1.813 56.638 54.840 -0.026 0.000 0.784 113 L CB -0.918 41.135 42.059 -0.009 0.000 0.894 113 L HN 0.268 nan 8.230 nan 0.000 0.436 114 D N -0.278 120.133 120.400 0.018 0.000 2.230 114 D HA -0.234 4.426 4.640 0.033 0.000 0.189 114 D C 2.194 178.514 176.300 0.033 0.000 1.006 114 D CA 1.603 55.627 54.000 0.039 0.000 0.853 114 D CB -0.256 40.567 40.800 0.039 0.000 0.959 114 D HN 0.186 nan 8.370 nan 0.000 0.449 115 R N -0.033 120.482 120.500 0.026 0.000 2.179 115 R HA -0.206 4.154 4.340 0.033 0.000 0.238 115 R C 2.052 178.373 176.300 0.035 0.000 1.119 115 R CA 1.710 57.829 56.100 0.031 0.000 0.915 115 R CB -0.552 29.763 30.300 0.025 0.000 0.870 115 R HN 0.267 nan 8.270 nan 0.000 0.432 116 N N 0.134 118.839 118.700 0.009 0.000 2.205 116 N HA -0.133 4.627 4.740 0.033 0.000 0.186 116 N C 1.642 177.132 175.510 -0.032 0.000 1.015 116 N CA 1.396 54.445 53.050 -0.002 0.000 0.862 116 N CB -0.317 38.120 38.487 -0.082 0.000 0.986 116 N HN 0.314 nan 8.380 nan 0.000 0.429 117 A N 1.117 123.896 122.820 -0.068 0.000 1.978 117 A HA -0.185 4.155 4.320 0.033 0.000 0.220 117 A C 2.167 179.808 177.584 0.095 0.000 1.170 117 A CA 1.251 53.256 52.037 -0.054 0.000 0.636 117 A CB -0.396 18.625 19.000 0.035 0.000 0.810 117 A HN 0.383 nan 8.150 nan 0.000 0.448 118 Q N -0.678 119.182 119.800 0.100 0.000 2.049 118 Q HA -0.075 4.285 4.340 0.033 0.000 0.198 118 Q C 2.139 178.218 176.000 0.131 0.000 0.971 118 Q CA 1.376 57.244 55.803 0.109 0.000 0.833 118 Q CB -0.418 28.366 28.738 0.077 0.000 0.896 118 Q HN 0.437 nan 8.270 nan 0.000 0.434 119 V N 0.830 120.835 119.914 0.152 0.000 2.277 119 V HA -0.301 3.839 4.120 0.033 0.000 0.253 119 V C 2.001 178.223 176.094 0.214 0.000 1.067 119 V CA 2.008 64.416 62.300 0.181 0.000 1.047 119 V CB -0.634 31.326 31.823 0.228 0.000 0.649 119 V HN 0.281 nan 8.190 nan 0.000 0.447 120 F N 0.408 120.353 119.950 -0.007 0.000 2.293 120 F HA -0.055 4.492 4.527 0.032 0.000 0.300 120 F C 2.301 178.086 175.800 -0.025 0.000 1.086 120 F CA 0.909 58.893 58.000 -0.026 0.000 1.375 120 F CB -0.971 37.989 39.000 -0.067 0.000 1.045 120 F HN 0.107 nan 8.300 nan 0.000 0.516 121 A N -0.422 122.502 122.820 0.174 0.000 1.969 121 A HA -0.171 4.168 4.320 0.033 0.000 0.218 121 A C 2.136 179.729 177.584 0.014 0.000 1.169 121 A CA 1.348 53.442 52.037 0.096 0.000 0.635 121 A CB -0.459 18.607 19.000 0.110 0.000 0.810 121 A HN 0.467 nan 8.150 nan 0.000 0.445 122 Q N -0.460 119.342 119.800 0.002 0.000 2.061 122 Q HA -0.040 4.320 4.340 0.033 0.000 0.195 122 Q C 2.157 178.051 176.000 -0.176 0.000 0.967 122 Q CA 1.404 57.167 55.803 -0.067 0.000 0.829 122 Q CB -0.526 28.197 28.738 -0.025 0.000 0.900 122 Q HN 0.426 nan 8.270 nan 0.000 0.450 123 V N 1.323 121.147 119.914 -0.149 0.000 2.261 123 V HA -0.232 3.908 4.120 0.033 0.000 0.246 123 V C 2.452 178.383 176.094 -0.273 0.000 1.047 123 V CA 1.556 63.721 62.300 -0.226 0.000 1.015 123 V CB -0.636 31.070 31.823 -0.196 0.000 0.642 123 V HN 0.138 nan 8.190 nan 0.000 0.446 124 V N 1.140 120.927 119.914 -0.211 0.000 2.287 124 V HA -0.177 3.963 4.120 0.033 0.000 0.248 124 V C 0.402 176.405 176.094 -0.151 0.000 1.053 124 V CA 2.735 64.936 62.300 -0.166 0.000 1.027 124 V CB -1.980 29.784 31.823 -0.098 0.000 0.646 124 V HN 0.548 nan 8.190 nan 0.000 0.447 125 P HA -0.176 nan 4.420 nan 0.000 0.216 125 P C 1.541 178.730 177.300 -0.184 0.000 1.153 125 P CA 1.524 64.539 63.100 -0.141 0.000 0.848 125 P CB -0.160 31.467 31.700 -0.121 0.000 0.787 126 R N -0.238 120.075 120.500 -0.313 0.000 2.081 126 R HA -0.059 4.301 4.340 0.033 0.000 0.235 126 R C 2.448 178.610 176.300 -0.230 0.000 1.131 126 R CA 1.211 57.061 56.100 -0.417 0.000 0.960 126 R CB -1.384 28.260 30.300 -1.092 0.000 0.856 126 R HN 0.079 nan 8.270 nan 0.000 0.436 127 V N 1.134 120.942 119.914 -0.176 0.000 2.261 127 V HA -0.211 3.929 4.120 0.033 0.000 0.246 127 V C 2.070 178.144 176.094 -0.034 0.000 1.047 127 V CA 1.575 63.860 62.300 -0.025 0.000 1.015 127 V CB -0.389 31.419 31.823 -0.025 0.000 0.642 127 V HN 0.161 nan 8.190 nan 0.000 0.446 128 L N -0.156 121.031 121.223 -0.060 0.000 2.201 128 L HA -0.119 4.241 4.340 0.033 0.000 0.212 128 L C 2.369 179.214 176.870 -0.040 0.000 1.105 128 L CA 1.594 56.407 54.840 -0.046 0.000 0.775 128 L CB -1.073 40.954 42.059 -0.054 0.000 0.913 128 L HN 0.427 nan 8.230 nan 0.000 0.440 129 E N -0.342 119.827 120.200 -0.052 0.000 2.118 129 E HA -0.244 4.126 4.350 0.033 0.000 0.195 129 E C 2.092 178.680 176.600 -0.021 0.000 0.992 129 E CA 1.325 57.700 56.400 -0.041 0.000 0.804 129 E CB 0.098 29.764 29.700 -0.056 0.000 0.741 129 E HN 0.488 nan 8.360 nan 0.000 0.458 130 A N 0.089 122.903 122.820 -0.010 0.000 2.030 130 A HA 0.418 4.758 4.320 0.033 0.000 0.215 130 A C 0.871 178.453 177.584 -0.002 0.000 1.164 130 A CA 0.723 52.762 52.037 0.004 0.000 0.697 130 A CB 0.337 19.353 19.000 0.027 0.000 0.827 130 A HN 0.248 nan 8.150 nan 0.000 0.457 131 A N -0.804 122.012 122.820 -0.007 0.000 2.449 131 A HA 0.553 4.893 4.320 0.033 0.000 0.302 131 A C 0.319 177.896 177.584 -0.013 0.000 1.048 131 A CA -0.369 51.662 52.037 -0.009 0.000 0.708 131 A CB 0.711 19.706 19.000 -0.009 0.000 1.274 131 A HN 0.154 nan 8.150 nan 0.000 0.410 132 E N -0.303 119.892 120.200 -0.007 0.000 2.794 132 E HA -0.311 4.059 4.350 0.033 0.000 0.284 132 E C 0.838 177.435 176.600 -0.004 0.000 1.387 132 E CA 1.419 57.817 56.400 -0.003 0.000 0.786 132 E CB -1.686 28.013 29.700 -0.001 0.000 1.172 132 E HN 1.052 nan 8.360 nan 0.000 0.402 133 A N 1.140 123.955 122.820 -0.008 0.000 2.492 133 A HA 0.254 4.594 4.320 0.033 0.000 0.254 133 A C 0.570 178.150 177.584 -0.007 0.000 1.091 133 A CA -0.180 51.850 52.037 -0.010 0.000 0.768 133 A CB 0.545 19.536 19.000 -0.016 0.000 1.028 133 A HN 0.009 nan 8.150 nan 0.000 0.498 134 V N 4.614 124.525 119.914 -0.005 0.000 2.572 134 V HA 0.059 4.199 4.120 0.033 0.000 0.291 134 V C 0.490 176.580 176.094 -0.006 0.000 1.039 134 V CA 0.231 62.531 62.300 0.001 0.000 1.055 134 V CB 0.493 32.316 31.823 -0.001 0.000 0.969 134 V HN 0.660 nan 8.190 nan 0.000 0.482 135 L N 5.921 127.146 121.223 0.003 0.000 2.276 135 L HA 0.417 4.777 4.340 0.033 0.000 0.286 135 L C -0.421 176.453 176.870 0.006 0.000 1.061 135 L CA -0.497 54.340 54.840 -0.005 0.000 0.807 135 L CB 1.124 43.181 42.059 -0.003 0.000 1.177 135 L HN 0.428 nan 8.230 nan 0.000 0.429 136 L N 5.047 126.265 121.223 -0.008 0.000 2.324 136 L HA 0.382 4.742 4.340 0.033 0.000 0.274 136 L C -0.295 176.584 176.870 0.015 0.000 1.012 136 L CA -0.234 54.604 54.840 -0.004 0.000 0.859 136 L CB 1.552 43.596 42.059 -0.026 0.000 1.224 136 L HN 0.218 nan 8.230 nan 0.000 0.429 137 V N 4.792 124.738 119.914 0.053 0.000 2.461 137 V HA 0.460 4.600 4.120 0.033 0.000 0.275 137 V C 1.015 177.155 176.094 0.077 0.000 1.047 137 V CA 0.417 62.785 62.300 0.114 0.000 0.955 137 V CB 0.896 32.832 31.823 0.188 0.000 0.988 137 V HN 0.887 nan 8.190 nan 0.000 0.471 138 A N 3.362 126.236 122.820 0.090 0.000 2.259 138 A HA 0.226 4.566 4.320 0.033 0.000 0.213 138 A C 1.164 178.793 177.584 0.076 0.000 1.209 138 A CA 0.075 52.144 52.037 0.053 0.000 0.910 138 A CB 0.067 19.088 19.000 0.034 0.000 0.946 138 A HN 0.637 nan 8.150 nan 0.000 0.497 139 T N 2.359 116.995 114.554 0.136 0.000 2.867 139 T HA 0.118 4.488 4.350 0.033 0.000 0.297 139 T C 0.052 174.775 174.700 0.038 0.000 0.989 139 T CA 0.417 62.586 62.100 0.114 0.000 1.159 139 T CB -0.211 68.783 68.868 0.210 0.000 0.928 139 T HN 0.479 nan 8.240 nan 0.000 0.538 140 N N 3.808 122.529 118.700 0.036 0.000 2.524 140 N HA 0.349 5.109 4.740 0.033 0.000 0.283 140 N C -2.343 173.157 175.510 -0.017 0.000 1.142 140 N CA -1.415 51.654 53.050 0.030 0.000 0.984 140 N CB 0.655 39.178 38.487 0.061 0.000 1.155 140 N HN 0.394 nan 8.380 nan 0.000 0.467 141 P HA 0.000 nan 4.420 nan 0.000 0.276 141 P C 0.614 177.917 177.300 0.005 0.000 1.243 141 P CA -0.155 62.953 63.100 0.013 0.000 0.768 141 P CB 1.406 33.106 31.700 0.002 0.000 0.856 142 V N 3.118 123.065 119.914 0.055 0.000 2.490 142 V HA -0.189 3.951 4.120 0.033 0.000 0.250 142 V C 1.512 177.613 176.094 0.013 0.000 1.061 142 V CA 2.030 64.347 62.300 0.029 0.000 1.064 142 V CB -0.614 31.224 31.823 0.026 0.000 0.670 142 V HN 0.438 nan 8.190 nan 0.000 0.461 143 D N -0.209 120.207 120.400 0.027 0.000 2.123 143 D HA -0.103 4.557 4.640 0.033 0.000 0.200 143 D C 2.188 178.492 176.300 0.005 0.000 0.976 143 D CA 1.691 55.704 54.000 0.022 0.000 0.831 143 D CB -0.088 40.731 40.800 0.033 0.000 0.974 143 D HN 0.469 nan 8.370 nan 0.000 0.469 144 V N 1.682 121.585 119.914 -0.018 0.000 2.358 144 V HA -0.222 3.918 4.120 0.033 0.000 0.246 144 V C 2.518 178.530 176.094 -0.136 0.000 1.047 144 V CA 1.115 63.388 62.300 -0.046 0.000 1.035 144 V CB -0.369 31.423 31.823 -0.051 0.000 0.658 144 V HN 0.158 nan 8.190 nan 0.000 0.452 145 M N 0.064 119.549 119.600 -0.192 0.000 2.149 145 M HA -0.143 4.357 4.480 0.033 0.000 0.261 145 M C 2.235 178.458 176.300 -0.129 0.000 1.064 145 M CA 1.858 56.950 55.300 -0.345 0.000 1.102 145 M CB -1.882 30.472 32.600 -0.410 0.000 1.369 145 M HN 0.404 nan 8.290 nan 0.000 0.408 146 T N 0.022 114.570 114.554 -0.011 0.000 2.788 146 T HA -0.190 4.180 4.350 0.033 0.000 0.268 146 T C 1.822 176.587 174.700 0.108 0.000 1.044 146 T CA 1.606 63.752 62.100 0.076 0.000 1.139 146 T CB -0.154 68.753 68.868 0.065 0.000 0.867 146 T HN 0.392 nan 8.240 nan 0.000 0.454 147 Q N 0.823 120.670 119.800 0.077 0.000 2.046 147 Q HA -0.065 4.295 4.340 0.033 0.000 0.200 147 Q C 2.244 178.286 176.000 0.070 0.000 0.975 147 Q CA 1.312 57.218 55.803 0.171 0.000 0.836 147 Q CB -0.566 28.279 28.738 0.177 0.000 0.896 147 Q HN 0.311 nan 8.270 nan 0.000 0.428 148 V N 1.226 120.988 119.914 -0.253 0.000 2.220 148 V HA -0.377 3.763 4.120 0.033 0.000 0.250 148 V C 2.370 178.354 176.094 -0.184 0.000 1.056 148 V CA 2.201 64.085 62.300 -0.693 0.000 1.016 148 V CB -1.491 29.782 31.823 -0.917 0.000 0.639 148 V HN 0.601 nan 8.190 nan 0.000 0.446 149 A N -1.188 121.662 122.820 0.049 0.000 1.948 149 A HA -0.313 4.027 4.320 0.033 0.000 0.220 149 A C 2.148 179.803 177.584 0.119 0.000 1.177 149 A CA 2.439 54.591 52.037 0.192 0.000 0.636 149 A CB -0.829 18.344 19.000 0.288 0.000 0.815 149 A HN 0.742 nan 8.150 nan 0.000 0.449 150 Y N 0.449 120.757 120.300 0.013 0.000 2.163 150 Y HA -0.192 4.378 4.550 0.034 0.000 0.288 150 Y C 2.448 178.313 175.900 -0.058 0.000 1.136 150 Y CA 1.933 60.017 58.100 -0.028 0.000 1.147 150 Y CB -0.214 38.221 38.460 -0.042 0.000 0.987 150 Y HN 0.177 nan 8.280 nan 0.000 0.509 151 R N 0.601 121.021 120.500 -0.134 0.000 2.083 151 R HA -0.162 4.198 4.340 0.033 0.000 0.237 151 R C 2.356 178.563 176.300 -0.155 0.000 1.137 151 R CA 1.877 57.869 56.100 -0.180 0.000 0.951 151 R CB -1.387 29.049 30.300 0.227 0.000 0.851 151 R HN 0.455 nan 8.270 nan 0.000 0.434 152 L N 0.958 122.173 121.223 -0.015 0.000 2.201 152 L HA -0.116 4.244 4.340 0.033 0.000 0.212 152 L C 2.688 179.509 176.870 -0.082 0.000 1.105 152 L CA 1.283 56.119 54.840 -0.006 0.000 0.775 152 L CB -0.566 41.529 42.059 0.061 0.000 0.913 152 L HN 0.248 nan 8.230 nan 0.000 0.440 153 S N 0.554 116.179 115.700 -0.125 0.000 2.359 153 S HA -0.183 4.307 4.470 0.033 0.000 0.224 153 S C 1.796 176.306 174.600 -0.150 0.000 1.035 153 S CA 1.495 59.620 58.200 -0.125 0.000 1.018 153 S CB -0.635 62.499 63.200 -0.110 0.000 0.876 153 S HN 0.600 nan 8.310 nan 0.000 0.448 154 G N 0.536 109.195 108.800 -0.236 0.000 2.153 154 G HA2 -0.226 3.754 3.960 0.033 0.000 0.252 154 G HA3 -0.226 3.754 3.960 0.033 0.000 0.252 154 G C -0.018 174.792 174.900 -0.151 0.000 0.994 154 G CA 0.739 45.722 45.100 -0.195 0.000 0.698 154 G HN 0.628 nan 8.290 nan 0.000 0.521 155 L N -0.134 120.996 121.223 -0.155 0.000 2.365 155 L HA 0.578 4.938 4.340 0.033 0.000 0.267 155 L C -1.672 175.197 176.870 -0.002 0.000 1.033 155 L CA -2.607 52.200 54.840 -0.055 0.000 0.802 155 L CB 0.791 42.843 42.059 -0.011 0.000 1.267 155 L HN -0.156 nan 8.230 nan 0.000 0.457 156 P HA 0.039 nan 4.420 nan 0.000 0.268 156 P C -2.044 175.401 177.300 0.241 0.000 1.208 156 P CA -0.924 62.252 63.100 0.127 0.000 0.777 156 P CB -0.017 31.733 31.700 0.083 0.000 0.875 157 P HA -0.180 nan 4.420 nan 0.000 0.216 157 P C 1.448 178.828 177.300 0.133 0.000 1.150 157 P CA 1.891 65.130 63.100 0.232 0.000 0.837 157 P CB -0.480 31.280 31.700 0.099 0.000 0.786 158 G N 0.049 108.915 108.800 0.110 0.000 2.498 158 G HA2 -0.203 3.777 3.960 0.033 0.000 0.219 158 G HA3 -0.203 3.777 3.960 0.033 0.000 0.219 158 G C 1.705 176.652 174.900 0.077 0.000 1.119 158 G CA 0.125 45.272 45.100 0.077 0.000 0.766 158 G HN 0.187 nan 8.290 nan 0.000 0.552 159 R N -0.380 120.178 120.500 0.098 0.000 2.276 159 R HA 0.099 4.459 4.340 0.033 0.000 0.203 159 R C -0.054 176.294 176.300 0.080 0.000 1.017 159 R CA 0.166 56.311 56.100 0.075 0.000 1.010 159 R CB 0.079 30.418 30.300 0.066 0.000 0.900 159 R HN 0.263 nan 8.270 nan 0.000 0.469 160 V N 1.728 121.714 119.914 0.119 0.000 2.378 160 V HA 0.299 4.439 4.120 0.033 0.000 0.288 160 V C -0.295 175.851 176.094 0.088 0.000 1.016 160 V CA -0.678 61.692 62.300 0.117 0.000 0.840 160 V CB 2.115 34.056 31.823 0.196 0.000 0.994 160 V HN -0.255 nan 8.190 nan 0.000 0.431 161 V N 3.830 123.778 119.914 0.058 0.000 2.525 161 V HA 0.752 4.892 4.120 0.033 0.000 0.299 161 V C 0.555 176.664 176.094 0.026 0.000 1.034 161 V CA -0.443 61.877 62.300 0.034 0.000 0.863 161 V CB 1.948 33.778 31.823 0.012 0.000 0.999 161 V HN 0.892 nan 8.190 nan 0.000 0.423 162 G N 1.834 110.648 108.800 0.023 0.000 2.371 162 G HA2 0.461 4.441 3.960 0.033 0.000 0.326 162 G HA3 0.461 4.441 3.960 0.033 0.000 0.326 162 G C 0.986 175.872 174.900 -0.023 0.000 1.127 162 G CA 0.265 45.373 45.100 0.013 0.000 0.885 162 G HN 0.888 nan 8.290 nan 0.000 0.477 163 S N 1.502 117.175 115.700 -0.045 0.000 2.387 163 S HA 0.051 4.541 4.470 0.033 0.000 0.230 163 S C 2.066 176.596 174.600 -0.117 0.000 1.035 163 S CA 1.236 59.387 58.200 -0.082 0.000 1.014 163 S CB -0.858 62.286 63.200 -0.094 0.000 0.836 163 S HN 2.305 nan 8.310 nan 0.000 0.466 164 G N 1.500 110.211 108.800 -0.148 0.000 2.583 164 G HA2 -0.387 3.593 3.960 0.033 0.000 0.292 164 G HA3 -0.387 3.593 3.960 0.033 0.000 0.292 164 G C 0.681 175.434 174.900 -0.245 0.000 1.203 164 G CA 1.592 46.609 45.100 -0.138 0.000 0.987 164 G HN 1.413 nan 8.290 nan 0.000 0.554 165 T N -0.117 114.395 114.554 -0.070 0.000 3.223 165 T HA 0.497 4.867 4.350 0.033 0.000 0.259 165 T C 2.266 176.979 174.700 0.022 0.000 1.015 165 T CA 0.968 63.073 62.100 0.009 0.000 0.908 165 T CB -0.429 68.485 68.868 0.076 0.000 1.054 165 T HN 1.181 nan 8.240 nan 0.000 0.567 166 I N -1.435 119.131 120.570 -0.007 0.000 2.264 166 I HA -0.073 4.117 4.170 0.033 0.000 0.248 166 I C 1.931 178.081 176.117 0.055 0.000 1.111 166 I CA 1.039 62.370 61.300 0.052 0.000 1.382 166 I CB -0.729 37.300 38.000 0.048 0.000 1.060 166 I HN 0.119 nan 8.210 nan 0.000 0.418 167 L N 1.491 122.730 121.223 0.027 0.000 2.027 167 L HA -0.161 4.199 4.340 0.033 0.000 0.206 167 L C 2.292 179.207 176.870 0.076 0.000 1.074 167 L CA 1.843 56.715 54.840 0.052 0.000 0.745 167 L CB -1.088 41.003 42.059 0.054 0.000 0.898 167 L HN 0.312 nan 8.230 nan 0.000 0.433 168 D N -1.454 119.002 120.400 0.093 0.000 2.144 168 D HA -0.138 4.522 4.640 0.033 0.000 0.200 168 D C 2.000 178.362 176.300 0.103 0.000 0.978 168 D CA 1.601 55.654 54.000 0.089 0.000 0.833 168 D CB -0.162 40.691 40.800 0.088 0.000 0.961 168 D HN 0.294 nan 8.370 nan 0.000 0.470 169 T N 1.022 115.643 114.554 0.113 0.000 2.720 169 T HA -0.117 4.253 4.350 0.033 0.000 0.268 169 T C 2.037 176.795 174.700 0.097 0.000 1.037 169 T CA 1.471 63.658 62.100 0.145 0.000 1.144 169 T CB -0.148 68.808 68.868 0.147 0.000 0.864 169 T HN 0.207 nan 8.240 nan 0.000 0.444 170 A N 1.280 124.142 122.820 0.068 0.000 1.929 170 A HA 0.012 4.352 4.320 0.033 0.000 0.216 170 A C 2.254 179.860 177.584 0.037 0.000 1.176 170 A CA 1.460 53.515 52.037 0.029 0.000 0.628 170 A CB -0.418 18.605 19.000 0.038 0.000 0.816 170 A HN 0.262 nan 8.150 nan 0.000 0.444 171 R N -0.956 119.587 120.500 0.072 0.000 2.075 171 R HA -0.078 4.282 4.340 0.033 0.000 0.232 171 R C 1.737 178.115 176.300 0.130 0.000 1.126 171 R CA 1.477 57.626 56.100 0.082 0.000 0.963 171 R CB -0.957 29.391 30.300 0.080 0.000 0.858 171 R HN 0.444 nan 8.270 nan 0.000 0.435 172 F N 1.310 121.219 119.950 -0.069 0.000 2.095 172 F HA -0.135 4.403 4.527 0.017 0.000 0.298 172 F C 1.808 177.527 175.800 -0.135 0.000 1.104 172 F CA 1.714 59.637 58.000 -0.127 0.000 1.232 172 F CB -0.513 38.377 39.000 -0.184 0.000 0.987 172 F HN -0.015 nan 8.300 nan 0.000 0.475 173 R N -0.022 120.378 120.500 -0.168 0.000 2.105 173 R HA -0.132 4.227 4.340 0.033 0.000 0.239 173 R C 2.410 178.625 176.300 -0.142 0.000 1.135 173 R CA 1.357 57.294 56.100 -0.272 0.000 0.967 173 R CB -0.840 29.316 30.300 -0.240 0.000 0.861 173 R HN 0.362 nan 8.270 nan 0.000 0.442 174 A N 1.130 123.919 122.820 -0.051 0.000 1.898 174 A HA -0.104 4.236 4.320 0.033 0.000 0.216 174 A C 2.168 179.764 177.584 0.020 0.000 1.181 174 A CA 1.063 53.092 52.037 -0.013 0.000 0.620 174 A CB -0.455 18.553 19.000 0.012 0.000 0.819 174 A HN 0.171 nan 8.150 nan 0.000 0.442 175 L N -0.737 120.518 121.223 0.053 0.000 2.093 175 L HA -0.137 4.223 4.340 0.033 0.000 0.208 175 L C 2.520 179.460 176.870 0.116 0.000 1.085 175 L CA 0.859 55.760 54.840 0.101 0.000 0.755 175 L CB -0.443 41.702 42.059 0.143 0.000 0.904 175 L HN 0.370 nan 8.230 nan 0.000 0.435 176 L N -0.609 120.634 121.223 0.034 0.000 2.056 176 L HA -0.163 4.197 4.340 0.033 0.000 0.207 176 L C 2.861 179.770 176.870 0.066 0.000 1.078 176 L CA 1.069 55.932 54.840 0.038 0.000 0.749 176 L CB -0.679 41.257 42.059 -0.205 0.000 0.901 176 L HN 0.219 nan 8.230 nan 0.000 0.433 177 A N -0.173 122.641 122.820 -0.009 0.000 1.902 177 A HA -0.268 4.072 4.320 0.033 0.000 0.217 177 A C 2.265 179.879 177.584 0.050 0.000 1.181 177 A CA 1.908 53.941 52.037 -0.008 0.000 0.623 177 A CB -0.528 18.448 19.000 -0.040 0.000 0.818 177 A HN 0.471 nan 8.150 nan 0.000 0.443 178 E N -1.641 118.603 120.200 0.073 0.000 2.051 178 E HA -0.253 4.117 4.350 0.033 0.000 0.192 178 E C 1.883 178.558 176.600 0.124 0.000 0.991 178 E CA 1.570 58.023 56.400 0.089 0.000 0.799 178 E CB -0.347 29.412 29.700 0.099 0.000 0.748 178 E HN 0.678 nan 8.360 nan 0.000 0.449 179 Y N 0.847 121.183 120.300 0.060 0.000 2.181 179 Y HA -0.107 4.458 4.550 0.025 0.000 0.288 179 Y C 1.719 177.674 175.900 0.091 0.000 1.146 179 Y CA 1.515 59.662 58.100 0.079 0.000 1.164 179 Y CB 0.008 38.531 38.460 0.105 0.000 0.982 179 Y HN 0.040 nan 8.280 nan 0.000 0.515 180 L N 0.259 121.510 121.223 0.047 0.000 2.592 180 L HA 0.138 4.498 4.340 0.033 0.000 0.227 180 L C 0.195 177.113 176.870 0.079 0.000 1.127 180 L CA 0.147 55.020 54.840 0.056 0.000 0.884 180 L CB -0.281 41.958 42.059 0.301 0.000 1.065 180 L HN 0.036 nan 8.230 nan 0.000 0.457 181 R N -0.001 120.517 120.500 0.030 0.000 3.146 181 R HA -0.136 4.224 4.340 0.033 0.000 0.250 181 R C -0.765 175.586 176.300 0.084 0.000 0.912 181 R CA 0.208 56.329 56.100 0.035 0.000 0.633 181 R CB -1.725 28.572 30.300 -0.004 0.000 1.180 181 R HN 0.191 nan 8.270 nan 0.000 0.464 182 V N -0.421 119.540 119.914 0.078 0.000 3.178 182 V HA 0.734 4.874 4.120 0.033 0.000 0.302 182 V C -0.645 175.454 176.094 0.008 0.000 1.262 182 V CA -0.188 62.156 62.300 0.075 0.000 1.030 182 V CB 2.242 34.129 31.823 0.106 0.000 1.074 182 V HN 0.499 nan 8.190 nan 0.000 0.438 183 A N 5.579 128.396 122.820 -0.004 0.000 2.511 183 A HA 0.483 4.823 4.320 0.033 0.000 0.242 183 A C -1.692 175.855 177.584 -0.062 0.000 1.069 183 A CA -0.409 51.613 52.037 -0.025 0.000 0.763 183 A CB -0.063 18.925 19.000 -0.019 0.000 1.001 183 A HN 0.778 nan 8.150 nan 0.000 0.498 184 P HA -0.267 nan 4.420 nan 0.000 0.216 184 P C 1.496 178.716 177.300 -0.133 0.000 1.150 184 P CA 1.892 64.933 63.100 -0.099 0.000 0.843 184 P CB 0.006 31.663 31.700 -0.073 0.000 0.787 185 Q N -1.165 118.575 119.800 -0.100 0.000 2.234 185 Q HA -0.109 4.251 4.340 0.033 0.000 0.206 185 Q C 1.691 177.632 176.000 -0.098 0.000 0.980 185 Q CA 1.722 57.462 55.803 -0.106 0.000 0.869 185 Q CB -0.989 27.715 28.738 -0.056 0.000 0.912 185 Q HN 0.091 nan 8.270 nan 0.000 0.436 186 S N 0.182 115.830 115.700 -0.087 0.000 2.496 186 S HA 0.109 4.599 4.470 0.033 0.000 0.224 186 S C 0.392 174.942 174.600 -0.083 0.000 0.996 186 S CA -0.041 58.122 58.200 -0.061 0.000 0.927 186 S CB 0.421 63.560 63.200 -0.102 0.000 0.774 186 S HN 0.194 nan 8.310 nan 0.000 0.524 187 V N 2.943 122.743 119.914 -0.190 0.000 2.432 187 V HA 0.215 4.355 4.120 0.033 0.000 0.271 187 V C -0.612 175.288 176.094 -0.323 0.000 1.046 187 V CA -0.318 61.826 62.300 -0.260 0.000 0.945 187 V CB 0.356 31.995 31.823 -0.306 0.000 0.992 187 V HN 0.307 nan 8.190 nan 0.000 0.471 188 H N 3.618 122.469 119.070 -0.365 0.000 2.700 188 H HA 0.722 5.300 4.556 0.036 0.000 0.269 188 H C 0.181 175.174 175.328 -0.559 0.000 1.222 188 H CA 0.298 56.085 56.048 -0.434 0.000 1.254 188 H CB 1.031 30.584 29.762 -0.349 0.000 1.413 188 H HN 0.856 nan 8.280 nan 0.000 0.507 189 A N 2.685 125.141 122.820 -0.607 0.000 2.414 189 A HA 0.650 4.990 4.320 0.033 0.000 0.306 189 A C -1.641 175.666 177.584 -0.462 0.000 1.054 189 A CA -0.683 50.997 52.037 -0.595 0.000 0.724 189 A CB 1.134 19.608 19.000 -0.876 0.000 1.267 189 A HN 0.426 nan 8.150 nan 0.000 0.418 190 Y N 0.355 120.649 120.300 -0.010 0.000 2.429 190 Y HA 0.560 5.130 4.550 0.033 0.000 0.342 190 Y C 0.047 176.008 175.900 0.102 0.000 1.004 190 Y CA -1.065 57.054 58.100 0.032 0.000 1.075 190 Y CB 2.161 40.604 38.460 -0.028 0.000 1.214 190 Y HN 0.408 nan 8.280 nan 0.000 0.455 191 V N 5.028 125.085 119.914 0.238 0.000 2.398 191 V HA 0.534 4.674 4.120 0.033 0.000 0.286 191 V C -0.229 175.894 176.094 0.048 0.000 1.026 191 V CA -0.724 61.618 62.300 0.071 0.000 0.868 191 V CB 1.124 32.955 31.823 0.013 0.000 0.982 191 V HN 0.590 nan 8.190 nan 0.000 0.443 192 L N 3.389 124.611 121.223 -0.001 0.000 2.257 192 L HA 1.008 5.368 4.340 0.033 0.000 0.257 192 L C 0.829 177.686 176.870 -0.023 0.000 1.033 192 L CA -0.160 54.657 54.840 -0.038 0.000 0.835 192 L CB 1.964 43.964 42.059 -0.099 0.000 1.398 192 L HN 0.875 nan 8.230 nan 0.000 0.429 193 G N 0.809 109.595 108.800 -0.024 0.000 2.481 193 G HA2 -0.215 3.765 3.960 0.033 0.000 0.230 193 G HA3 -0.215 3.765 3.960 0.033 0.000 0.230 193 G C -0.508 174.401 174.900 0.015 0.000 1.210 193 G CA 0.059 45.156 45.100 -0.006 0.000 0.936 193 G HN 0.854 nan 8.290 nan 0.000 0.583 194 E N 0.728 120.939 120.200 0.019 0.000 2.290 194 E HA 0.279 4.649 4.350 0.033 0.000 0.277 194 E C 0.408 177.049 176.600 0.068 0.000 1.035 194 E CA -0.466 55.956 56.400 0.037 0.000 0.873 194 E CB 0.141 29.850 29.700 0.016 0.000 1.029 194 E HN 0.613 nan 8.360 nan 0.000 0.419 195 H N 3.800 122.865 119.070 -0.009 0.000 3.004 195 H HA 0.238 4.811 4.556 0.028 0.000 0.316 195 H C 0.268 175.592 175.328 -0.006 0.000 1.014 195 H CA 1.211 57.255 56.048 -0.006 0.000 1.454 195 H CB 0.273 30.035 29.762 0.001 0.000 1.472 195 H HN 0.828 nan 8.280 nan 0.000 0.571 196 G N 4.581 113.189 108.800 -0.321 0.000 2.250 196 G HA2 -0.219 3.761 3.960 0.033 0.000 0.252 196 G HA3 -0.219 3.761 3.960 0.033 0.000 0.252 196 G C 0.048 174.862 174.900 -0.143 0.000 1.325 196 G CA 0.020 44.950 45.100 -0.283 0.000 1.091 196 G HN 0.531 nan 8.290 nan 0.000 0.476 197 D N 0.385 120.722 120.400 -0.105 0.000 2.269 197 D HA 0.055 4.715 4.640 0.033 0.000 0.208 197 D C 2.412 178.677 176.300 -0.058 0.000 0.963 197 D CA 1.734 55.688 54.000 -0.078 0.000 0.864 197 D CB 0.055 40.812 40.800 -0.071 0.000 0.936 197 D HN 0.587 nan 8.370 nan 0.000 0.505 198 S N 0.069 115.739 115.700 -0.049 0.000 2.575 198 S HA 0.046 4.536 4.470 0.033 0.000 0.237 198 S C 0.476 175.060 174.600 -0.028 0.000 0.975 198 S CA -0.695 57.485 58.200 -0.033 0.000 0.960 198 S CB -0.265 62.921 63.200 -0.023 0.000 0.822 198 S HN 0.227 nan 8.310 nan 0.000 0.472 199 E N 0.863 121.042 120.200 -0.036 0.000 2.404 199 E HA 0.304 4.674 4.350 0.033 0.000 0.261 199 E C -0.904 175.672 176.600 -0.041 0.000 1.074 199 E CA -0.704 55.679 56.400 -0.028 0.000 0.917 199 E CB 0.677 30.365 29.700 -0.021 0.000 0.965 199 E HN 0.109 nan 8.360 nan 0.000 0.433 200 V N 3.077 122.969 119.914 -0.037 0.000 2.347 200 V HA 0.131 4.271 4.120 0.033 0.000 0.280 200 V C -0.243 175.800 176.094 -0.084 0.000 1.021 200 V CA -0.885 61.392 62.300 -0.038 0.000 0.847 200 V CB 0.806 32.623 31.823 -0.011 0.000 0.990 200 V HN 0.510 nan 8.190 nan 0.000 0.444 201 L N 5.728 126.854 121.223 -0.161 0.000 2.315 201 L HA 0.253 4.613 4.340 0.033 0.000 0.283 201 L C 0.311 177.102 176.870 -0.131 0.000 1.089 201 L CA 0.452 55.071 54.840 -0.368 0.000 0.833 201 L CB 1.307 42.878 42.059 -0.812 0.000 1.170 201 L HN 0.448 nan 8.230 nan 0.000 0.442 202 V N 4.749 124.664 119.914 0.001 0.000 2.223 202 V HA -0.002 4.137 4.120 0.033 0.000 0.249 202 V C 0.627 176.805 176.094 0.141 0.000 1.233 202 V CA -0.181 62.181 62.300 0.104 0.000 1.131 202 V CB -0.632 31.267 31.823 0.127 0.000 1.298 202 V HN 0.824 nan 8.190 nan 0.000 0.498 203 W N 2.079 123.491 121.300 0.187 0.000 2.381 203 W HA -0.178 4.500 4.660 0.029 0.000 0.301 203 W C 2.731 179.310 176.519 0.100 0.000 1.205 203 W CA 1.423 58.873 57.345 0.175 0.000 1.285 203 W CB -0.262 29.279 29.460 0.135 0.000 1.133 203 W HN 0.668 nan 8.180 nan 0.000 0.521 204 S N -0.072 115.817 115.700 0.315 0.000 2.359 204 S HA -0.218 4.272 4.470 0.033 0.000 0.224 204 S C 1.682 176.368 174.600 0.143 0.000 1.035 204 S CA 1.690 60.009 58.200 0.197 0.000 1.018 204 S CB -1.097 62.191 63.200 0.147 0.000 0.876 204 S HN 0.185 nan 8.310 nan 0.000 0.448 205 S N 0.865 116.637 115.700 0.120 0.000 2.554 205 S HA 0.690 5.180 4.470 0.033 0.000 0.226 205 S C 0.544 175.170 174.600 0.044 0.000 0.980 205 S CA -0.146 58.102 58.200 0.081 0.000 0.939 205 S CB -0.177 63.072 63.200 0.081 0.000 0.832 205 S HN 0.790 nan 8.310 nan 0.000 0.486 206 A N 2.044 124.885 122.820 0.034 0.000 2.520 206 A HA 0.442 4.782 4.320 0.033 0.000 0.235 206 A C 0.261 177.807 177.584 -0.062 0.000 1.065 206 A CA 0.119 52.116 52.037 -0.066 0.000 0.764 206 A CB 0.164 19.093 19.000 -0.118 0.000 1.002 206 A HN 0.573 nan 8.150 nan 0.000 0.502 207 Q N 1.302 121.031 119.800 -0.119 0.000 2.347 207 Q HA 0.469 4.829 4.340 0.033 0.000 0.271 207 Q C -0.362 175.533 176.000 -0.174 0.000 1.064 207 Q CA -0.691 55.044 55.803 -0.112 0.000 0.800 207 Q CB 1.907 30.573 28.738 -0.120 0.000 1.304 207 Q HN 0.438 nan 8.270 nan 0.000 0.438 208 V N 0.768 120.542 119.914 -0.234 0.000 3.572 208 V HA 0.080 4.220 4.120 0.033 0.000 0.260 208 V C -1.601 174.300 176.094 -0.322 0.000 1.324 208 V CA -0.040 61.996 62.300 -0.440 0.000 1.068 208 V CB -0.201 31.001 31.823 -1.035 0.000 0.837 208 V HN 0.542 nan 8.190 nan 0.000 0.450 209 P HA -0.051 nan 4.420 nan 0.000 0.303 209 P C 1.287 178.646 177.300 0.099 0.000 1.403 209 P CA 0.155 63.292 63.100 0.062 0.000 0.887 209 P CB -0.037 31.703 31.700 0.067 0.000 1.583 210 L N -1.488 119.842 121.223 0.178 0.000 3.071 210 L HA -0.343 4.016 4.340 0.033 0.000 0.214 210 L C 2.042 178.994 176.870 0.136 0.000 1.083 210 L CA 2.014 56.949 54.840 0.157 0.000 0.829 210 L CB -1.837 40.289 42.059 0.112 0.000 0.927 210 L HN 0.459 nan 8.230 nan 0.000 0.464 211 E N -2.083 118.194 120.200 0.129 0.000 2.051 211 E HA -0.234 4.136 4.350 0.033 0.000 0.192 211 E C 2.052 178.719 176.600 0.112 0.000 0.991 211 E CA 1.380 57.840 56.400 0.100 0.000 0.799 211 E CB -0.206 29.549 29.700 0.092 0.000 0.748 211 E HN 0.533 nan 8.360 nan 0.000 0.449 212 F N 1.071 121.036 119.950 0.026 0.000 2.216 212 F HA -0.165 4.382 4.527 0.032 0.000 0.300 212 F C 2.013 177.826 175.800 0.021 0.000 1.085 212 F CA 1.305 59.315 58.000 0.017 0.000 1.326 212 F CB -0.186 38.822 39.000 0.014 0.000 1.027 212 F HN -0.027 nan 8.300 nan 0.000 0.497 213 A N 0.111 123.071 122.820 0.234 0.000 1.902 213 A HA -0.191 4.149 4.320 0.033 0.000 0.217 213 A C 2.187 179.770 177.584 -0.001 0.000 1.181 213 A CA 1.777 53.902 52.037 0.148 0.000 0.623 213 A CB -0.893 18.243 19.000 0.227 0.000 0.818 213 A HN 0.511 nan 8.150 nan 0.000 0.443 214 E N -0.376 119.826 120.200 0.004 0.000 2.021 214 E HA -0.234 4.136 4.350 0.033 0.000 0.200 214 E C 2.369 178.908 176.600 -0.102 0.000 1.015 214 E CA 1.233 57.614 56.400 -0.033 0.000 0.824 214 E CB -0.368 29.324 29.700 -0.013 0.000 0.762 214 E HN 0.586 nan 8.360 nan 0.000 0.454 215 A N 1.274 123.998 122.820 -0.160 0.000 1.997 215 A HA -0.207 4.132 4.320 0.033 0.000 0.221 215 A C 1.991 179.410 177.584 -0.275 0.000 1.172 215 A CA 1.362 53.265 52.037 -0.224 0.000 0.645 215 A CB -0.352 18.465 19.000 -0.305 0.000 0.813 215 A HN 0.035 nan 8.150 nan 0.000 0.454 216 R N -1.270 119.028 120.500 -0.336 0.000 2.299 216 R HA 0.104 4.464 4.340 0.033 0.000 0.197 216 R C 1.335 177.538 176.300 -0.163 0.000 0.971 216 R CA 0.507 56.440 56.100 -0.279 0.000 1.030 216 R CB -1.159 28.965 30.300 -0.294 0.000 0.932 216 R HN 0.860 nan 8.270 nan 0.000 0.477 217 G N 1.666 110.392 108.800 -0.123 0.000 2.273 217 G HA2 -0.326 3.654 3.960 0.033 0.000 0.280 217 G HA3 -0.326 3.654 3.960 0.033 0.000 0.280 217 G C 0.271 175.127 174.900 -0.074 0.000 1.047 217 G CA 0.400 45.453 45.100 -0.078 0.000 0.869 217 G HN 0.337 nan 8.290 nan 0.000 0.502 218 R N -0.148 120.309 120.500 -0.072 0.000 2.795 218 R HA 0.523 4.883 4.340 0.033 0.000 0.320 218 R C 1.061 177.426 176.300 0.110 0.000 1.223 218 R CA -0.008 56.040 56.100 -0.087 0.000 1.305 218 R CB 0.418 30.508 30.300 -0.349 0.000 1.318 218 R HN 0.858 nan 8.270 nan 0.000 0.636 219 A N 1.429 124.314 122.820 0.109 0.000 2.591 219 A HA -0.143 4.197 4.320 0.033 0.000 0.265 219 A C 0.357 178.081 177.584 0.233 0.000 0.946 219 A CA 0.478 52.598 52.037 0.139 0.000 0.928 219 A CB 0.013 19.061 19.000 0.081 0.000 0.816 219 A HN 0.360 nan 8.150 nan 0.000 0.466 220 L N 4.539 125.873 121.223 0.184 0.000 2.375 220 L HA 0.179 4.539 4.340 0.033 0.000 0.276 220 L C 1.130 177.970 176.870 -0.049 0.000 1.162 220 L CA 0.636 55.527 54.840 0.085 0.000 0.991 220 L CB -0.630 41.481 42.059 0.086 0.000 1.315 220 L HN 0.934 nan 8.230 nan 0.000 0.431 221 S N 3.449 119.118 115.700 -0.053 0.000 2.632 221 S HA 0.403 4.893 4.470 0.033 0.000 0.267 221 S C -1.630 172.876 174.600 -0.157 0.000 1.276 221 S CA -1.076 57.075 58.200 -0.081 0.000 0.998 221 S CB 0.998 64.175 63.200 -0.038 0.000 0.953 221 S HN 0.313 nan 8.310 nan 0.000 0.547 222 P HA -0.132 nan 4.420 nan 0.000 0.217 222 P C 0.979 178.191 177.300 -0.146 0.000 1.151 222 P CA 1.446 64.444 63.100 -0.170 0.000 0.849 222 P CB -0.042 31.587 31.700 -0.118 0.000 0.787 223 E N -0.668 119.471 120.200 -0.101 0.000 2.077 223 E HA -0.165 4.205 4.350 0.033 0.000 0.193 223 E C 1.796 178.339 176.600 -0.095 0.000 0.989 223 E CA 1.195 57.549 56.400 -0.076 0.000 0.800 223 E CB -0.939 28.734 29.700 -0.045 0.000 0.746 223 E HN 0.328 nan 8.360 nan 0.000 0.452 224 D N 0.253 120.571 120.400 -0.136 0.000 2.144 224 D HA -0.080 4.580 4.640 0.033 0.000 0.200 224 D C 1.910 178.102 176.300 -0.179 0.000 0.978 224 D CA 0.737 54.611 54.000 -0.209 0.000 0.833 224 D CB -0.066 40.518 40.800 -0.360 0.000 0.961 224 D HN 0.158 nan 8.370 nan 0.000 0.470 225 R N 0.909 121.266 120.500 -0.238 0.000 2.075 225 R HA -0.006 4.354 4.340 0.033 0.000 0.232 225 R C 2.367 178.652 176.300 -0.026 0.000 1.126 225 R CA 1.023 56.961 56.100 -0.270 0.000 0.963 225 R CB -0.262 29.566 30.300 -0.786 0.000 0.858 225 R HN 0.057 nan 8.270 nan 0.000 0.435 226 A N 1.733 124.508 122.820 -0.074 0.000 1.877 226 A HA -0.215 4.125 4.320 0.033 0.000 0.216 226 A C 2.205 179.798 177.584 0.015 0.000 1.186 226 A CA 1.523 53.547 52.037 -0.021 0.000 0.620 226 A CB -0.536 18.439 19.000 -0.042 0.000 0.822 226 A HN 0.271 nan 8.150 nan 0.000 0.443 227 R N -0.241 120.260 120.500 0.002 0.000 2.091 227 R HA -0.108 4.252 4.340 0.033 0.000 0.238 227 R C 1.927 178.262 176.300 0.058 0.000 1.136 227 R CA 1.949 58.061 56.100 0.019 0.000 0.959 227 R CB -0.409 29.889 30.300 -0.002 0.000 0.856 227 R HN 0.538 nan 8.270 nan 0.000 0.437 228 I N 1.040 121.671 120.570 0.102 0.000 2.252 228 I HA -0.255 3.935 4.170 0.033 0.000 0.245 228 I C 2.409 178.615 176.117 0.149 0.000 1.102 228 I CA 1.433 62.840 61.300 0.179 0.000 1.385 228 I CB -0.541 37.673 38.000 0.357 0.000 1.064 228 I HN 0.409 nan 8.210 nan 0.000 0.414 229 D N 1.095 121.593 120.400 0.164 0.000 2.104 229 D HA -0.295 4.365 4.640 0.033 0.000 0.194 229 D C 1.985 178.296 176.300 0.018 0.000 0.994 229 D CA 1.814 55.854 54.000 0.066 0.000 0.830 229 D CB 0.069 40.927 40.800 0.097 0.000 0.959 229 D HN 0.410 nan 8.370 nan 0.000 0.452 230 E N -0.283 119.936 120.200 0.033 0.000 2.077 230 E HA -0.138 4.231 4.350 0.033 0.000 0.193 230 E C 2.169 178.792 176.600 0.039 0.000 0.989 230 E CA 1.450 57.866 56.400 0.027 0.000 0.800 230 E CB -0.514 29.203 29.700 0.029 0.000 0.746 230 E HN 0.353 nan 8.360 nan 0.000 0.452 231 G N 0.315 109.144 108.800 0.049 0.000 2.469 231 G HA2 -0.282 3.698 3.960 0.033 0.000 0.219 231 G HA3 -0.282 3.698 3.960 0.033 0.000 0.219 231 G C 1.594 176.521 174.900 0.046 0.000 1.150 231 G CA 1.274 46.408 45.100 0.056 0.000 0.763 231 G HN 0.255 nan 8.290 nan 0.000 0.561 232 V N 0.244 120.171 119.914 0.023 0.000 2.273 232 V HA -0.012 4.128 4.120 0.033 0.000 0.242 232 V C 2.695 178.784 176.094 -0.009 0.000 1.035 232 V CA 1.850 64.148 62.300 -0.004 0.000 1.013 232 V CB -0.512 31.252 31.823 -0.099 0.000 0.652 232 V HN 0.352 nan 8.190 nan 0.000 0.452 233 R N 0.054 120.536 120.500 -0.030 0.000 2.096 233 R HA -0.108 4.252 4.340 0.033 0.000 0.235 233 R C 1.836 178.137 176.300 0.002 0.000 1.127 233 R CA 1.170 57.251 56.100 -0.032 0.000 0.968 233 R CB 0.047 30.320 30.300 -0.046 0.000 0.861 233 R HN 0.258 nan 8.270 nan 0.000 0.440 234 R N -0.182 120.341 120.500 0.038 0.000 2.426 234 R HA 0.207 4.567 4.340 0.033 0.000 0.263 234 R C 1.198 177.590 176.300 0.154 0.000 0.961 234 R CA 0.462 56.628 56.100 0.110 0.000 1.086 234 R CB 0.240 30.618 30.300 0.130 0.000 1.186 234 R HN 0.245 nan 8.270 nan 0.000 0.537 235 A N 1.188 124.057 122.820 0.083 0.000 1.858 235 A HA -0.119 4.221 4.320 0.033 0.000 0.216 235 A C 2.248 179.859 177.584 0.045 0.000 1.190 235 A CA 1.903 53.975 52.037 0.059 0.000 0.617 235 A CB -0.503 18.525 19.000 0.048 0.000 0.827 235 A HN 0.305 nan 8.150 nan 0.000 0.443 236 A N -1.368 121.484 122.820 0.054 0.000 1.933 236 A HA -0.084 4.256 4.320 0.033 0.000 0.218 236 A C 2.133 179.742 177.584 0.041 0.000 1.175 236 A CA 1.770 53.830 52.037 0.038 0.000 0.628 236 A CB -0.893 18.129 19.000 0.037 0.000 0.814 236 A HN 0.897 nan 8.150 nan 0.000 0.444 237 Y N 0.787 121.073 120.300 -0.022 0.000 2.081 237 Y HA -0.263 4.306 4.550 0.031 0.000 0.280 237 Y C 2.368 178.261 175.900 -0.012 0.000 1.163 237 Y CA 2.193 60.282 58.100 -0.019 0.000 1.135 237 Y CB -0.520 37.928 38.460 -0.021 0.000 0.970 237 Y HN 0.248 nan 8.280 nan 0.000 0.498 238 R N 0.201 120.442 120.500 -0.432 0.000 2.091 238 R HA -0.142 4.218 4.340 0.033 0.000 0.238 238 R C 2.365 178.484 176.300 -0.302 0.000 1.136 238 R CA 2.073 57.869 56.100 -0.506 0.000 0.959 238 R CB -0.511 29.680 30.300 -0.181 0.000 0.856 238 R HN 0.451 nan 8.270 nan 0.000 0.437 239 I N 0.534 121.002 120.570 -0.169 0.000 2.315 239 I HA -0.238 3.951 4.170 0.033 0.000 0.248 239 I C 2.122 178.165 176.117 -0.122 0.000 1.117 239 I CA 0.800 62.027 61.300 -0.121 0.000 1.404 239 I CB -0.167 37.782 38.000 -0.085 0.000 1.071 239 I HN 0.118 nan 8.210 nan 0.000 0.419 240 I N 0.770 121.269 120.570 -0.118 0.000 2.252 240 I HA -0.254 3.936 4.170 0.033 0.000 0.245 240 I C 2.774 178.833 176.117 -0.096 0.000 1.102 240 I CA 1.424 62.679 61.300 -0.076 0.000 1.385 240 I CB -1.164 36.819 38.000 -0.029 0.000 1.064 240 I HN 0.247 nan 8.210 nan 0.000 0.414 241 E N 0.958 121.048 120.200 -0.184 0.000 2.110 241 E HA -0.141 4.229 4.350 0.033 0.000 0.193 241 E C 2.205 178.737 176.600 -0.113 0.000 0.988 241 E CA 1.223 57.520 56.400 -0.170 0.000 0.804 241 E CB -0.600 28.904 29.700 -0.326 0.000 0.745 241 E HN 0.649 nan 8.360 nan 0.000 0.458 242 G N 0.134 108.863 108.800 -0.119 0.000 2.603 242 G HA2 -0.062 3.918 3.960 0.033 0.000 0.214 242 G HA3 -0.062 3.918 3.960 0.033 0.000 0.214 242 G C 1.518 176.392 174.900 -0.043 0.000 1.140 242 G CA 0.861 45.917 45.100 -0.073 0.000 0.800 242 G HN 0.571 nan 8.290 nan 0.000 0.533 243 K N -2.241 118.132 120.400 -0.045 0.000 2.562 243 K HA 0.409 4.749 4.320 0.033 0.000 0.218 243 K C 1.377 177.979 176.600 0.003 0.000 1.374 243 K CA 0.818 57.095 56.287 -0.016 0.000 0.996 243 K CB 0.577 33.060 32.500 -0.030 0.000 1.127 243 K HN 0.419 nan 8.250 nan 0.000 0.603 244 G N 0.835 109.628 108.800 -0.012 0.000 2.258 244 G HA2 -0.135 3.845 3.960 0.033 0.000 0.233 244 G HA3 -0.135 3.845 3.960 0.033 0.000 0.233 244 G C 0.169 175.083 174.900 0.024 0.000 1.006 244 G CA -0.036 45.070 45.100 0.010 0.000 0.620 244 G HN 0.905 nan 8.290 nan 0.000 0.511 245 A N -1.686 121.149 122.820 0.024 0.000 2.601 245 A HA 0.835 5.175 4.320 0.033 0.000 0.291 245 A C -0.584 176.969 177.584 -0.052 0.000 1.075 245 A CA 0.802 52.866 52.037 0.045 0.000 0.671 245 A CB 1.110 20.193 19.000 0.137 0.000 1.277 245 A HN 1.353 nan 8.150 nan 0.000 0.417 246 T N 0.021 114.552 114.554 -0.040 0.000 2.823 246 T HA 0.651 5.021 4.350 0.033 0.000 0.279 246 T C -0.126 174.530 174.700 -0.074 0.000 0.998 246 T CA 0.470 62.471 62.100 -0.165 0.000 0.994 246 T CB 0.489 69.325 68.868 -0.054 0.000 0.960 246 T HN 1.338 nan 8.240 nan 0.000 0.448 247 Y N 2.129 122.372 120.300 -0.094 0.000 2.466 247 Y HA 0.300 4.878 4.550 0.047 0.000 0.285 247 Y C 1.285 177.148 175.900 -0.062 0.000 1.088 247 Y CA -0.463 57.564 58.100 -0.122 0.000 1.039 247 Y CB -0.322 38.003 38.460 -0.225 0.000 1.363 247 Y HN 0.503 nan 8.280 nan 0.000 0.570 248 Y N 2.391 122.703 120.300 0.021 0.000 2.128 248 Y HA 0.012 4.579 4.550 0.028 0.000 0.284 248 Y C 2.676 178.612 175.900 0.060 0.000 1.154 248 Y CA 1.742 59.903 58.100 0.101 0.000 1.149 248 Y CB -0.991 37.479 38.460 0.016 0.000 0.976 248 Y HN 0.362 nan 8.280 nan 0.000 0.505 249 G N -0.430 108.470 108.800 0.166 0.000 2.414 249 G HA2 -0.254 3.726 3.960 0.033 0.000 0.215 249 G HA3 -0.254 3.726 3.960 0.033 0.000 0.215 249 G C 1.687 176.639 174.900 0.086 0.000 1.188 249 G CA 1.006 46.169 45.100 0.106 0.000 0.783 249 G HN 0.376 nan 8.290 nan 0.000 0.537 250 I N 1.878 122.493 120.570 0.075 0.000 2.493 250 I HA 0.078 4.268 4.170 0.033 0.000 0.254 250 I C 2.614 178.766 176.117 0.059 0.000 1.160 250 I CA 1.229 62.559 61.300 0.049 0.000 1.445 250 I CB -0.510 37.515 38.000 0.041 0.000 1.086 250 I HN 0.084 nan 8.210 nan 0.000 0.433 251 G N -0.043 108.820 108.800 0.105 0.000 2.418 251 G HA2 -0.210 3.770 3.960 0.033 0.000 0.217 251 G HA3 -0.210 3.770 3.960 0.033 0.000 0.217 251 G C 1.688 176.641 174.900 0.087 0.000 1.158 251 G CA 0.657 45.824 45.100 0.111 0.000 0.771 251 G HN 0.555 nan 8.290 nan 0.000 0.545 252 A N 0.571 123.447 122.820 0.094 0.000 1.970 252 A HA 0.321 4.661 4.320 0.033 0.000 0.216 252 A C 2.625 180.227 177.584 0.029 0.000 1.170 252 A CA 1.672 53.745 52.037 0.060 0.000 0.645 252 A CB -0.707 18.333 19.000 0.066 0.000 0.816 252 A HN 0.449 nan 8.150 nan 0.000 0.447 253 G N 0.044 108.860 108.800 0.027 0.000 2.402 253 G HA2 -0.137 3.843 3.960 0.033 0.000 0.216 253 G HA3 -0.137 3.843 3.960 0.033 0.000 0.216 253 G C 1.535 176.412 174.900 -0.039 0.000 1.162 253 G CA 0.999 46.099 45.100 0.000 0.000 0.777 253 G HN 0.407 nan 8.290 nan 0.000 0.539 254 L N 0.683 121.890 121.223 -0.027 0.000 2.046 254 L HA -0.033 4.327 4.340 0.033 0.000 0.208 254 L C 3.394 180.233 176.870 -0.052 0.000 1.077 254 L CA 0.986 55.799 54.840 -0.045 0.000 0.747 254 L CB -0.329 41.717 42.059 -0.021 0.000 0.896 254 L HN 0.299 nan 8.230 nan 0.000 0.432 255 A N -0.071 122.734 122.820 -0.025 0.000 1.933 255 A HA -0.251 4.089 4.320 0.033 0.000 0.218 255 A C 2.332 179.888 177.584 -0.047 0.000 1.175 255 A CA 1.811 53.833 52.037 -0.026 0.000 0.628 255 A CB -0.445 18.553 19.000 -0.002 0.000 0.814 255 A HN 0.277 nan 8.150 nan 0.000 0.444 256 R N -0.003 120.463 120.500 -0.055 0.000 2.075 256 R HA 0.060 4.420 4.340 0.033 0.000 0.232 256 R C 1.890 178.081 176.300 -0.181 0.000 1.126 256 R CA 1.357 57.413 56.100 -0.074 0.000 0.963 256 R CB -0.726 29.555 30.300 -0.033 0.000 0.858 256 R HN 0.520 nan 8.270 nan 0.000 0.435 257 L N -0.531 120.542 121.223 -0.250 0.000 2.046 257 L HA -0.169 4.191 4.340 0.033 0.000 0.208 257 L C 2.265 179.021 176.870 -0.190 0.000 1.077 257 L CA 1.176 55.816 54.840 -0.334 0.000 0.747 257 L CB -0.581 41.317 42.059 -0.267 0.000 0.896 257 L HN 0.049 nan 8.230 nan 0.000 0.432 258 V N 0.102 119.945 119.914 -0.119 0.000 2.287 258 V HA -0.327 3.813 4.120 0.033 0.000 0.248 258 V C 2.730 178.786 176.094 -0.064 0.000 1.053 258 V CA 2.138 64.392 62.300 -0.076 0.000 1.027 258 V CB -0.678 31.113 31.823 -0.054 0.000 0.646 258 V HN 0.494 nan 8.190 nan 0.000 0.447 259 R N 0.253 120.715 120.500 -0.063 0.000 2.096 259 R HA -0.165 4.195 4.340 0.033 0.000 0.235 259 R C 2.261 178.543 176.300 -0.029 0.000 1.127 259 R CA 1.713 57.789 56.100 -0.040 0.000 0.968 259 R CB -0.450 29.831 30.300 -0.031 0.000 0.861 259 R HN 0.471 nan 8.270 nan 0.000 0.440 260 A N 1.203 123.993 122.820 -0.050 0.000 1.902 260 A HA -0.143 4.197 4.320 0.033 0.000 0.217 260 A C 2.166 179.746 177.584 -0.006 0.000 1.181 260 A CA 1.535 53.567 52.037 -0.008 0.000 0.623 260 A CB -0.491 18.475 19.000 -0.057 0.000 0.818 260 A HN 0.383 nan 8.150 nan 0.000 0.443 261 I N -0.958 119.590 120.570 -0.036 0.000 2.179 261 I HA -0.232 3.958 4.170 0.033 0.000 0.242 261 I C 2.144 178.255 176.117 -0.010 0.000 1.088 261 I CA 0.947 62.235 61.300 -0.020 0.000 1.357 261 I CB -0.277 37.704 38.000 -0.032 0.000 1.051 261 I HN 0.209 nan 8.210 nan 0.000 0.409 262 L N 0.262 121.476 121.223 -0.016 0.000 2.201 262 L HA -0.137 4.223 4.340 0.033 0.000 0.212 262 L C 2.405 179.273 176.870 -0.003 0.000 1.105 262 L CA 1.966 56.800 54.840 -0.011 0.000 0.775 262 L CB -1.034 41.015 42.059 -0.016 0.000 0.913 262 L HN 0.416 nan 8.230 nan 0.000 0.440 263 T N -5.744 108.810 114.554 0.001 0.000 3.069 263 T HA 0.110 4.480 4.350 0.033 0.000 0.252 263 T C 0.668 175.378 174.700 0.017 0.000 1.053 263 T CA 0.098 62.203 62.100 0.008 0.000 0.964 263 T CB -0.184 68.690 68.868 0.010 0.000 1.005 263 T HN 0.162 nan 8.240 nan 0.000 0.532 264 D N 1.686 122.097 120.400 0.018 0.000 2.697 264 D HA -0.191 4.469 4.640 0.033 0.000 0.235 264 D C 0.734 177.056 176.300 0.037 0.000 1.167 264 D CA 0.878 54.894 54.000 0.025 0.000 0.656 264 D CB -1.290 39.523 40.800 0.020 0.000 1.025 264 D HN 0.756 nan 8.370 nan 0.000 0.419 265 E N 0.960 121.191 120.200 0.051 0.000 2.106 265 E HA -0.192 4.178 4.350 0.033 0.000 0.192 265 E C 0.590 177.233 176.600 0.071 0.000 0.984 265 E CA 1.290 57.730 56.400 0.068 0.000 0.806 265 E CB 0.052 29.815 29.700 0.106 0.000 0.750 265 E HN 0.470 nan 8.360 nan 0.000 0.458 266 K N -0.222 120.228 120.400 0.082 0.000 3.096 266 K HA -0.171 4.169 4.320 0.033 0.000 0.266 266 K C 0.015 176.663 176.600 0.081 0.000 1.043 266 K CA 0.148 56.482 56.287 0.078 0.000 0.758 266 K CB -2.038 30.493 32.500 0.051 0.000 1.260 266 K HN 0.316 nan 8.250 nan 0.000 0.481 267 G N -0.032 108.847 108.800 0.132 0.000 2.528 267 G HA2 0.506 4.485 3.960 0.033 0.000 0.289 267 G HA3 0.506 4.485 3.960 0.033 0.000 0.289 267 G C -0.201 174.690 174.900 -0.015 0.000 1.192 267 G CA -0.685 44.441 45.100 0.043 0.000 0.921 267 G HN 0.059 nan 8.290 nan 0.000 0.512 268 V N 0.748 120.512 119.914 -0.250 0.000 2.394 268 V HA 0.464 4.604 4.120 0.033 0.000 0.282 268 V C -1.031 174.809 176.094 -0.423 0.000 1.031 268 V CA -0.333 61.864 62.300 -0.172 0.000 0.881 268 V CB 0.296 32.094 31.823 -0.043 0.000 0.982 268 V HN 0.584 nan 8.190 nan 0.000 0.451 269 Y N 1.142 121.461 120.300 0.031 0.000 2.492 269 Y HA 0.434 5.001 4.550 0.029 0.000 0.346 269 Y C 0.636 176.528 175.900 -0.013 0.000 0.997 269 Y CA -1.094 57.021 58.100 0.026 0.000 1.025 269 Y CB 2.142 40.608 38.460 0.009 0.000 1.263 269 Y HN 0.620 nan 8.280 nan 0.000 0.454 270 T N 0.675 115.316 114.554 0.146 0.000 3.185 270 T HA 0.509 4.879 4.350 0.033 0.000 0.287 270 T C -0.308 174.419 174.700 0.044 0.000 1.051 270 T CA -0.467 61.654 62.100 0.034 0.000 1.051 270 T CB -1.414 67.479 68.868 0.041 0.000 1.034 270 T HN 0.525 nan 8.240 nan 0.000 0.685 271 V N 0.161 120.095 119.914 0.032 0.000 2.919 271 V HA 0.805 4.945 4.120 0.033 0.000 0.316 271 V C 0.239 176.331 176.094 -0.004 0.000 1.077 271 V CA -1.214 61.093 62.300 0.011 0.000 0.977 271 V CB 1.659 33.491 31.823 0.014 0.000 1.039 271 V HN 0.617 nan 8.190 nan 0.000 0.441 272 S N 1.279 116.976 115.700 -0.006 0.000 2.513 272 S HA 0.808 5.298 4.470 0.033 0.000 0.276 272 S C -0.122 174.483 174.600 0.008 0.000 1.254 272 S CA 0.363 58.562 58.200 -0.001 0.000 1.053 272 S CB 0.279 63.482 63.200 0.005 0.000 0.958 272 S HN 1.922 nan 8.310 nan 0.000 0.491 273 A N 3.821 126.640 122.820 -0.001 0.000 2.606 273 A HA 0.636 4.976 4.320 0.033 0.000 0.293 273 A C -1.034 176.534 177.584 -0.026 0.000 1.082 273 A CA -0.805 51.235 52.037 0.005 0.000 0.685 273 A CB 0.594 19.598 19.000 0.006 0.000 1.284 273 A HN 0.862 nan 8.150 nan 0.000 0.408 274 F N 1.828 121.639 119.950 -0.232 0.000 2.578 274 F HA 0.458 5.005 4.527 0.033 0.000 0.381 274 F C 0.237 175.899 175.800 -0.229 0.000 1.069 274 F CA 1.202 58.998 58.000 -0.340 0.000 1.231 274 F CB 0.642 39.100 39.000 -0.903 0.000 1.086 274 F HN 0.423 nan 8.300 nan 0.000 0.564 275 T N 8.981 123.056 114.554 -0.799 0.000 2.840 275 T HA 0.239 4.609 4.350 0.033 0.000 0.287 275 T C -1.779 172.545 174.700 -0.627 0.000 0.991 275 T CA -1.063 60.739 62.100 -0.497 0.000 0.964 275 T CB 1.811 70.524 68.868 -0.257 0.000 0.954 275 T HN 0.364 nan 8.240 nan 0.000 0.438 276 P HA -0.165 nan 4.420 nan 0.000 0.214 276 P C 0.164 177.357 177.300 -0.178 0.000 1.169 276 P CA 1.583 64.559 63.100 -0.206 0.000 0.908 276 P CB 0.200 31.865 31.700 -0.058 0.000 0.791 277 E N -1.780 118.331 120.200 -0.149 0.000 2.335 277 E HA 0.517 4.887 4.350 0.033 0.000 0.280 277 E C -1.742 174.787 176.600 -0.117 0.000 0.918 277 E CA -1.096 55.231 56.400 -0.121 0.000 0.765 277 E CB 1.599 31.247 29.700 -0.087 0.000 1.218 277 E HN -0.232 nan 8.360 nan 0.000 0.425 278 V N 3.354 123.217 119.914 -0.086 0.000 2.447 278 V HA 0.362 4.502 4.120 0.033 0.000 0.292 278 V C -0.376 175.705 176.094 -0.022 0.000 1.021 278 V CA -0.824 61.451 62.300 -0.041 0.000 0.850 278 V CB 1.159 32.988 31.823 0.010 0.000 1.005 278 V HN 0.850 nan 8.190 nan 0.000 0.426 279 E N 3.702 123.881 120.200 -0.034 0.000 2.440 279 E HA -0.284 4.086 4.350 0.033 0.000 0.246 279 E C 1.338 177.924 176.600 -0.023 0.000 1.165 279 E CA 1.403 57.796 56.400 -0.012 0.000 0.726 279 E CB -1.453 28.267 29.700 0.033 0.000 1.271 279 E HN 1.607 nan 8.360 nan 0.000 0.397 280 G N -2.227 106.547 108.800 -0.043 0.000 2.299 280 G HA2 -0.375 3.604 3.960 0.033 0.000 0.237 280 G HA3 -0.375 3.604 3.960 0.033 0.000 0.237 280 G C 0.463 175.344 174.900 -0.032 0.000 1.027 280 G CA 0.054 45.133 45.100 -0.035 0.000 0.619 280 G HN 0.430 nan 8.290 nan 0.000 0.513 281 V N 2.471 122.367 119.914 -0.030 0.000 2.637 281 V HA 0.510 4.650 4.120 0.033 0.000 0.296 281 V C 0.971 177.036 176.094 -0.048 0.000 1.046 281 V CA 0.179 62.461 62.300 -0.030 0.000 1.066 281 V CB 1.378 33.187 31.823 -0.024 0.000 0.968 281 V HN 0.387 nan 8.190 nan 0.000 0.483 282 L N 4.235 125.435 121.223 -0.038 0.000 2.330 282 L HA 0.626 4.986 4.340 0.033 0.000 0.271 282 L C 0.146 176.976 176.870 -0.067 0.000 1.013 282 L CA -0.694 54.116 54.840 -0.051 0.000 0.816 282 L CB 1.451 43.505 42.059 -0.008 0.000 1.287 282 L HN 0.711 nan 8.230 nan 0.000 0.435 286 S N 5.400 121.050 115.700 -0.083 0.000 2.456 286 S HA 0.928 5.418 4.470 0.033 0.000 0.316 286 S C -0.836 173.750 174.600 -0.024 0.000 1.089 286 S CA -0.482 57.686 58.200 -0.052 0.000 1.101 286 S CB 1.078 64.303 63.200 0.042 0.000 0.995 286 S HN 1.194 nan 8.310 nan 0.000 0.468 287 L N 0.140 121.343 121.223 -0.033 0.000 2.765 287 L HA 0.731 5.091 4.340 0.033 0.000 0.263 287 L C -0.455 176.404 176.870 -0.019 0.000 1.068 287 L CA -0.851 53.981 54.840 -0.013 0.000 0.903 287 L CB 0.750 42.801 42.059 -0.012 0.000 1.512 287 L HN 0.297 nan 8.230 nan 0.000 0.404 288 S N 0.997 116.688 115.700 -0.014 0.000 2.499 288 S HA 0.846 5.336 4.470 0.033 0.000 0.275 288 S C -0.313 174.247 174.600 -0.067 0.000 1.257 288 S CA -0.323 57.860 58.200 -0.028 0.000 1.050 288 S CB -0.192 63.000 63.200 -0.013 0.000 0.937 288 S HN 0.480 nan 8.310 nan 0.000 0.490 289 L N 3.620 124.790 121.223 -0.089 0.000 2.341 289 L HA 0.543 4.903 4.340 0.033 0.000 0.254 289 L C -2.702 174.041 176.870 -0.212 0.000 1.040 289 L CA -2.991 51.745 54.840 -0.173 0.000 0.837 289 L CB 1.867 43.863 42.059 -0.106 0.000 1.425 289 L HN 0.292 nan 8.230 nan 0.000 0.414 290 P HA 0.235 nan 4.420 nan 0.000 0.270 290 P C -1.325 175.893 177.300 -0.137 0.000 1.242 290 P CA -0.015 62.868 63.100 -0.362 0.000 0.768 290 P CB 0.398 31.674 31.700 -0.708 0.000 0.820 291 R N 3.188 123.665 120.500 -0.037 0.000 2.686 291 R HA 0.531 4.891 4.340 0.033 0.000 0.286 291 R C -0.193 176.148 176.300 0.068 0.000 0.969 291 R CA -1.089 55.022 56.100 0.018 0.000 0.898 291 R CB 1.903 32.220 30.300 0.029 0.000 1.183 291 R HN 0.405 nan 8.270 nan 0.000 0.456 292 I N 3.250 123.856 120.570 0.061 0.000 2.471 292 I HA 0.066 4.256 4.170 0.033 0.000 0.286 292 I C -0.401 175.776 176.117 0.101 0.000 1.079 292 I CA -0.303 61.045 61.300 0.080 0.000 1.398 292 I CB 0.579 38.612 38.000 0.055 0.000 1.403 292 I HN 0.209 nan 8.210 nan 0.000 0.530 293 L N 7.306 128.620 121.223 0.151 0.000 2.325 293 L HA 0.838 5.198 4.340 0.033 0.000 0.281 293 L C -0.022 176.904 176.870 0.093 0.000 1.004 293 L CA 0.305 55.218 54.840 0.122 0.000 0.823 293 L CB 1.186 43.330 42.059 0.140 0.000 1.236 293 L HN 0.647 nan 8.230 nan 0.000 0.415 294 G N 2.380 111.213 108.800 0.055 0.000 3.021 294 G HA2 0.541 4.521 3.960 0.033 0.000 0.290 294 G HA3 0.541 4.521 3.960 0.033 0.000 0.290 294 G C 0.185 175.100 174.900 0.025 0.000 1.291 294 G CA -0.077 45.049 45.100 0.042 0.000 0.834 294 G HN 0.772 nan 8.290 nan 0.000 0.564 295 A N -1.047 121.786 122.820 0.021 0.000 2.070 295 A HA 0.239 4.579 4.320 0.033 0.000 0.220 295 A C 2.041 179.633 177.584 0.014 0.000 1.159 295 A CA 2.259 54.303 52.037 0.013 0.000 0.656 295 A CB -0.489 18.518 19.000 0.013 0.000 0.800 295 A HN 1.410 nan 8.150 nan 0.000 0.453 296 G N -2.060 106.752 108.800 0.020 0.000 3.393 296 G HA2 0.490 4.470 3.960 0.033 0.000 0.255 296 G HA3 0.490 4.470 3.960 0.033 0.000 0.255 296 G C 0.812 175.729 174.900 0.028 0.000 1.097 296 G CA 0.542 45.655 45.100 0.022 0.000 0.780 296 G HN 1.516 nan 8.290 nan 0.000 0.540 297 G N -0.536 108.279 108.800 0.025 0.000 2.482 297 G HA2 0.059 4.039 3.960 0.033 0.000 0.214 297 G HA3 0.059 4.039 3.960 0.033 0.000 0.214 297 G C 0.077 174.999 174.900 0.037 0.000 1.271 297 G CA 0.000 45.117 45.100 0.028 0.000 0.944 297 G HN 1.377 nan 8.290 nan 0.000 0.568 298 V N -0.468 119.471 119.914 0.042 0.000 2.530 298 V HA 0.726 4.866 4.120 0.033 0.000 0.282 298 V C 0.318 176.440 176.094 0.046 0.000 1.048 298 V CA 0.716 63.044 62.300 0.047 0.000 0.997 298 V CB 0.816 32.665 31.823 0.043 0.000 0.987 298 V HN 1.384 nan 8.190 nan 0.000 0.477 302 T N 0.565 115.139 114.554 0.033 0.000 2.824 302 T HA 0.561 4.931 4.350 0.033 0.000 0.282 302 T C -0.359 174.370 174.700 0.048 0.000 0.993 302 T CA -0.421 61.701 62.100 0.037 0.000 0.967 302 T CB 1.820 70.723 68.868 0.059 0.000 0.960 302 T HN 0.569 nan 8.240 nan 0.000 0.441 303 V N 4.191 124.115 119.914 0.017 0.000 2.293 303 V HA 0.289 4.429 4.120 0.033 0.000 0.275 303 V C -0.952 175.147 176.094 0.008 0.000 1.021 303 V CA -0.866 61.449 62.300 0.025 0.000 0.815 303 V CB 0.092 31.920 31.823 0.008 0.000 1.025 303 V HN 0.823 nan 8.190 nan 0.000 0.448 304 Y N 7.959 128.234 120.300 -0.042 0.000 2.425 304 Y HA 0.500 5.071 4.550 0.036 0.000 0.347 304 Y C -1.344 174.552 175.900 -0.005 0.000 0.976 304 Y CA -2.084 55.990 58.100 -0.042 0.000 1.190 304 Y CB 1.141 39.583 38.460 -0.031 0.000 1.136 304 Y HN 0.522 nan 8.280 nan 0.000 0.517 305 P HA 0.130 nan 4.420 nan 0.000 0.276 305 P C -0.557 176.765 177.300 0.036 0.000 1.252 305 P CA -0.559 62.540 63.100 -0.000 0.000 0.802 305 P CB 1.343 33.066 31.700 0.039 0.000 1.035 306 S N 0.270 116.017 115.700 0.078 0.000 2.549 306 S HA 0.271 4.761 4.470 0.033 0.000 0.286 306 S C -0.181 174.463 174.600 0.074 0.000 1.314 306 S CA -0.350 57.903 58.200 0.088 0.000 1.062 306 S CB -0.741 62.505 63.200 0.078 0.000 0.865 306 S HN 0.280 nan 8.310 nan 0.000 0.498 307 L N 4.063 125.337 121.223 0.085 0.000 2.386 307 L HA 0.456 4.816 4.340 0.033 0.000 0.271 307 L C 0.443 177.361 176.870 0.079 0.000 0.993 307 L CA -0.849 54.036 54.840 0.076 0.000 0.819 307 L CB 2.248 44.350 42.059 0.071 0.000 1.294 307 L HN 0.773 nan 8.230 nan 0.000 0.414 308 S N 1.533 117.282 115.700 0.081 0.000 2.589 308 S HA 0.268 4.758 4.470 0.033 0.000 0.265 308 S C -1.973 172.664 174.600 0.061 0.000 1.342 308 S CA -0.853 57.390 58.200 0.072 0.000 1.005 308 S CB 0.841 64.088 63.200 0.080 0.000 0.909 308 S HN 0.431 nan 8.310 nan 0.000 0.555 309 P HA -0.064 nan 4.420 nan 0.000 0.216 309 P C 1.119 178.443 177.300 0.040 0.000 1.150 309 P CA 1.234 64.358 63.100 0.041 0.000 0.837 309 P CB -0.007 31.712 31.700 0.031 0.000 0.786 310 E N -0.134 120.091 120.200 0.041 0.000 2.031 310 E HA -0.193 4.177 4.350 0.033 0.000 0.193 310 E C 1.971 178.597 176.600 0.044 0.000 0.994 310 E CA 1.370 57.793 56.400 0.038 0.000 0.800 310 E CB -0.748 28.976 29.700 0.039 0.000 0.752 310 E HN 0.399 nan 8.360 nan 0.000 0.447 311 E N 0.166 120.401 120.200 0.058 0.000 2.031 311 E HA -0.183 4.187 4.350 0.033 0.000 0.193 311 E C 2.215 178.843 176.600 0.047 0.000 0.994 311 E CA 0.991 57.426 56.400 0.058 0.000 0.800 311 E CB -0.138 29.607 29.700 0.074 0.000 0.752 311 E HN 0.071 nan 8.360 nan 0.000 0.447 312 R N 0.952 121.485 120.500 0.056 0.000 2.103 312 R HA -0.244 4.116 4.340 0.033 0.000 0.242 312 R C 2.238 178.567 176.300 0.048 0.000 1.142 312 R CA 1.853 57.992 56.100 0.064 0.000 0.960 312 R CB -0.025 30.319 30.300 0.073 0.000 0.858 312 R HN 0.021 nan 8.270 nan 0.000 0.439 313 E N 0.136 120.359 120.200 0.038 0.000 2.072 313 E HA -0.070 4.300 4.350 0.033 0.000 0.190 313 E C 1.648 178.261 176.600 0.022 0.000 0.982 313 E CA 1.560 57.976 56.400 0.026 0.000 0.803 313 E CB -0.188 29.525 29.700 0.021 0.000 0.755 313 E HN 0.419 nan 8.360 nan 0.000 0.453 314 A N 0.512 123.346 122.820 0.023 0.000 1.930 314 A HA -0.096 4.244 4.320 0.033 0.000 0.217 314 A C 2.183 179.776 177.584 0.014 0.000 1.175 314 A CA 1.453 53.500 52.037 0.016 0.000 0.627 314 A CB -0.746 18.265 19.000 0.018 0.000 0.815 314 A HN 0.389 nan 8.150 nan 0.000 0.443 315 L N -0.472 120.763 121.223 0.021 0.000 2.056 315 L HA -0.083 4.277 4.340 0.033 0.000 0.207 315 L C 2.405 179.289 176.870 0.024 0.000 1.078 315 L CA 1.949 56.802 54.840 0.021 0.000 0.749 315 L CB -0.576 41.501 42.059 0.031 0.000 0.901 315 L HN 0.329 nan 8.230 nan 0.000 0.433 316 R N 0.243 120.760 120.500 0.028 0.000 2.083 316 R HA -0.166 4.194 4.340 0.033 0.000 0.237 316 R C 2.371 178.677 176.300 0.010 0.000 1.137 316 R CA 1.932 58.045 56.100 0.020 0.000 0.951 316 R CB -0.370 29.941 30.300 0.019 0.000 0.851 316 R HN 0.442 nan 8.270 nan 0.000 0.434 317 R N -0.291 120.213 120.500 0.008 0.000 2.073 317 R HA -0.036 4.324 4.340 0.033 0.000 0.234 317 R C 2.465 178.766 176.300 0.002 0.000 1.134 317 R CA 1.702 57.803 56.100 0.003 0.000 0.952 317 R CB -0.311 29.989 30.300 0.002 0.000 0.850 317 R HN 0.196 nan 8.270 nan 0.000 0.433 318 S N 1.124 116.826 115.700 0.003 0.000 2.374 318 S HA -0.194 4.295 4.470 0.033 0.000 0.227 318 S C 2.131 176.733 174.600 0.004 0.000 1.037 318 S CA 1.447 59.648 58.200 0.002 0.000 1.024 318 S CB -0.258 62.943 63.200 0.002 0.000 0.861 318 S HN 0.499 nan 8.310 nan 0.000 0.456 319 A N 1.208 124.030 122.820 0.004 0.000 1.969 319 A HA -0.112 4.228 4.320 0.033 0.000 0.218 319 A C 2.025 179.609 177.584 -0.000 0.000 1.169 319 A CA 1.263 53.300 52.037 -0.001 0.000 0.635 319 A CB -0.426 18.572 19.000 -0.004 0.000 0.810 319 A HN 0.539 nan 8.150 nan 0.000 0.445 320 E N -0.193 120.007 120.200 0.000 0.000 2.017 320 E HA -0.148 4.222 4.350 0.033 0.000 0.193 320 E C 1.876 178.480 176.600 0.006 0.000 0.997 320 E CA 1.279 57.678 56.400 -0.001 0.000 0.804 320 E CB -0.296 29.401 29.700 -0.005 0.000 0.757 320 E HN 0.649 nan 8.360 nan 0.000 0.448 321 I N 1.254 121.828 120.570 0.006 0.000 2.248 321 I HA -0.323 3.867 4.170 0.033 0.000 0.248 321 I C 2.344 178.476 176.117 0.025 0.000 1.107 321 I CA 1.058 62.365 61.300 0.012 0.000 1.373 321 I CB -0.254 37.750 38.000 0.007 0.000 1.055 321 I HN 0.174 nan 8.210 nan 0.000 0.418 322 L N 0.366 121.603 121.223 0.024 0.000 2.023 322 L HA -0.203 4.157 4.340 0.033 0.000 0.205 322 L C 2.643 179.550 176.870 0.061 0.000 1.073 322 L CA 1.340 56.202 54.840 0.036 0.000 0.745 322 L CB -0.640 41.433 42.059 0.023 0.000 0.900 322 L HN 0.208 nan 8.230 nan 0.000 0.435 323 K N 0.384 120.816 120.400 0.053 0.000 2.147 323 K HA -0.260 4.080 4.320 0.033 0.000 0.205 323 K C 1.985 178.662 176.600 0.129 0.000 1.049 323 K CA 1.655 57.993 56.287 0.086 0.000 0.936 323 K CB 0.149 32.680 32.500 0.051 0.000 0.722 323 K HN 0.126 nan 8.250 nan 0.000 0.446 324 E N 0.566 120.816 120.200 0.084 0.000 2.028 324 E HA -0.107 4.263 4.350 0.033 0.000 0.191 324 E C 1.711 178.400 176.600 0.149 0.000 0.988 324 E CA 1.580 58.032 56.400 0.087 0.000 0.799 324 E CB -0.292 29.425 29.700 0.028 0.000 0.755 324 E HN 0.350 nan 8.360 nan 0.000 0.447 325 A N 1.020 123.906 122.820 0.109 0.000 1.908 325 A HA -0.140 4.200 4.320 0.033 0.000 0.218 325 A C 2.464 180.141 177.584 0.155 0.000 1.181 325 A CA 2.379 54.482 52.037 0.110 0.000 0.627 325 A CB -1.205 17.836 19.000 0.069 0.000 0.818 325 A HN 0.415 nan 8.150 nan 0.000 0.445 326 A N -1.113 121.809 122.820 0.171 0.000 1.865 326 A HA -0.094 4.246 4.320 0.033 0.000 0.217 326 A C 2.084 179.831 177.584 0.272 0.000 1.191 326 A CA 1.800 53.971 52.037 0.224 0.000 0.623 326 A CB -0.788 18.346 19.000 0.223 0.000 0.826 326 A HN 0.752 nan 8.150 nan 0.000 0.444 327 F N 0.930 120.949 119.950 0.115 0.000 2.146 327 F HA -0.002 4.545 4.527 0.033 0.000 0.298 327 F C 2.465 178.300 175.800 0.057 0.000 1.096 327 F CA 1.092 59.142 58.000 0.083 0.000 1.275 327 F CB -0.502 38.533 39.000 0.058 0.000 1.008 327 F HN 0.230 nan 8.300 nan 0.000 0.480 328 A N -0.116 122.963 122.820 0.432 0.000 1.969 328 A HA -0.108 4.232 4.320 0.033 0.000 0.218 328 A C 2.014 179.678 177.584 0.133 0.000 1.169 328 A CA 1.466 53.682 52.037 0.297 0.000 0.635 328 A CB -1.057 18.069 19.000 0.210 0.000 0.810 328 A HN 0.453 nan 8.150 nan 0.000 0.445 329 L N -1.373 119.934 121.223 0.140 0.000 2.395 329 L HA 0.262 4.622 4.340 0.033 0.000 0.218 329 L C 1.414 178.331 176.870 0.078 0.000 1.130 329 L CA 1.578 56.507 54.840 0.147 0.000 0.826 329 L CB 0.051 42.244 42.059 0.224 0.000 0.941 329 L HN 0.658 nan 8.230 nan 0.000 0.451 330 G N -2.638 106.113 108.800 -0.082 0.000 2.148 330 G HA2 -0.213 3.767 3.960 0.033 0.000 0.157 330 G HA3 -0.213 3.767 3.960 0.033 0.000 0.157 330 G C 0.025 174.486 174.900 -0.732 0.000 1.012 330 G CA -0.058 44.779 45.100 -0.439 0.000 0.677 330 G HN 0.205 nan 8.290 nan 0.000 0.506 331 F N 0.000 119.890 119.950 -0.100 0.000 2.286 331 F HA 0.000 4.548 4.527 0.035 0.000 0.279 331 F CA 0.000 57.984 58.000 -0.026 0.000 1.383 331 F CB 0.000 39.015 39.000 0.024 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574