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_A 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 0.000 176.311 176.300 0.018 0.000 1.140 22 M CA 0.000 55.311 55.300 0.018 0.000 0.988 22 M CB 0.000 32.604 32.600 0.007 0.000 1.302 23 K N 1.602 122.006 120.400 0.007 0.000 2.259 23 K HA 0.836 5.157 4.320 0.000 0.000 0.252 23 K C -1.872 174.715 176.600 -0.021 0.000 0.936 23 K CA -0.563 55.719 56.287 -0.008 0.000 0.810 23 K CB 2.049 34.541 32.500 -0.014 0.000 1.143 23 K HN 0.542 nan 8.250 nan 0.000 0.427 24 V N 2.159 122.053 119.914 -0.034 0.000 2.604 24 V HA 0.539 4.659 4.120 0.000 0.000 0.305 24 V C 0.255 176.317 176.094 -0.053 0.000 1.043 24 V CA -0.828 61.449 62.300 -0.037 0.000 0.888 24 V CB 1.745 33.549 31.823 -0.032 0.000 0.995 24 V HN 0.945 nan 8.190 nan 0.000 0.429 25 G N 3.544 112.315 108.800 -0.050 0.000 2.417 25 G HA2 0.809 4.769 3.960 0.000 0.000 0.334 25 G HA3 0.809 4.769 3.960 0.000 0.000 0.334 25 G C -1.122 173.745 174.900 -0.056 0.000 1.150 25 G CA -0.577 44.487 45.100 -0.060 0.000 0.923 25 G HN 0.599 nan 8.290 nan 0.000 0.485 26 I N 1.035 121.564 120.570 -0.068 0.000 2.500 26 I HA 0.230 4.400 4.170 0.000 0.000 0.286 26 I C -0.673 175.398 176.117 -0.075 0.000 1.063 26 I CA -0.850 60.412 61.300 -0.063 0.000 1.062 26 I CB 2.448 40.411 38.000 -0.061 0.000 1.223 26 I HN 0.081 nan 8.210 nan 0.000 0.435 27 V N 4.956 124.830 119.914 -0.067 0.000 2.370 27 V HA 0.822 4.943 4.120 0.000 0.000 0.279 27 V C 0.485 176.546 176.094 -0.055 0.000 1.029 27 V CA -0.434 61.823 62.300 -0.072 0.000 0.870 27 V CB 0.964 32.762 31.823 -0.042 0.000 0.984 27 V HN 1.047 nan 8.190 nan 0.000 0.451 28 G N 3.353 112.119 108.800 -0.058 0.000 3.380 28 G HA2 -0.095 3.865 3.960 0.000 0.000 0.685 28 G HA3 -0.095 3.865 3.960 0.000 0.000 0.685 28 G C -0.126 174.738 174.900 -0.059 0.000 1.136 28 G CA -0.116 44.963 45.100 -0.035 0.000 1.011 28 G HN 0.868 nan 8.290 nan 0.000 0.471 29 S N 1.452 117.116 115.700 -0.059 0.000 2.484 29 S HA 0.587 5.057 4.470 0.000 0.000 0.242 29 S C 1.439 175.973 174.600 -0.111 0.000 1.158 29 S CA 0.820 58.965 58.200 -0.091 0.000 1.162 29 S CB -0.572 62.617 63.200 -0.018 0.000 0.850 29 S HN 1.563 nan 8.310 nan 0.000 0.477 30 G N 1.455 110.186 108.800 -0.115 0.000 2.504 30 G HA2 0.273 4.233 3.960 0.000 0.000 0.257 30 G HA3 0.273 4.233 3.960 0.000 0.000 0.257 30 G C 1.088 175.823 174.900 -0.274 0.000 1.451 30 G CA -0.300 44.727 45.100 -0.122 0.000 1.059 30 G HN 0.368 nan 8.290 nan 0.000 0.550 31 M N -0.754 118.679 119.600 -0.277 0.000 2.175 31 M HA -0.021 4.460 4.480 0.000 0.000 0.264 31 M C 2.670 178.767 176.300 -0.338 0.000 1.063 31 M CA 0.666 55.669 55.300 -0.494 0.000 1.119 31 M CB -1.180 30.960 32.600 -0.766 0.000 1.377 31 M HN 0.212 nan 8.290 nan 0.000 0.415 32 V N 0.091 119.921 119.914 -0.141 0.000 2.270 32 V HA -0.142 3.978 4.120 0.000 0.000 0.245 32 V C 2.607 178.661 176.094 -0.067 0.000 1.043 32 V CA 2.088 64.366 62.300 -0.037 0.000 1.014 32 V CB -1.552 30.279 31.823 0.013 0.000 0.645 32 V HN 0.521 nan 8.190 nan 0.000 0.447 33 G N 0.033 108.772 108.800 -0.101 0.000 2.422 33 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 33 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 33 G C 1.893 176.707 174.900 -0.144 0.000 1.146 33 G CA 1.417 46.457 45.100 -0.101 0.000 0.769 33 G HN 0.631 nan 8.290 nan 0.000 0.547 34 S N 1.001 116.531 115.700 -0.284 0.000 2.387 34 S HA 0.256 4.726 4.470 0.000 0.000 0.226 34 S C 2.598 177.115 174.600 -0.139 0.000 1.026 34 S CA 1.315 59.303 58.200 -0.353 0.000 0.972 34 S CB -0.389 62.232 63.200 -0.965 0.000 0.814 34 S HN 0.538 nan 8.310 nan 0.000 0.477 35 A N 1.613 124.366 122.820 -0.111 0.000 1.972 35 A HA 0.012 4.332 4.320 0.000 0.000 0.219 35 A C 2.355 180.035 177.584 0.160 0.000 1.169 35 A CA 1.942 54.036 52.037 0.094 0.000 0.635 35 A CB -1.547 17.523 19.000 0.116 0.000 0.810 35 A HN 0.571 nan 8.150 nan 0.000 0.446 36 T N 0.267 114.861 114.554 0.067 0.000 2.737 36 T HA -0.010 4.340 4.350 0.000 0.000 0.265 36 T C 2.283 177.025 174.700 0.069 0.000 1.038 36 T CA 1.550 63.687 62.100 0.061 0.000 1.144 36 T CB -0.481 68.397 68.868 0.016 0.000 0.866 36 T HN 0.598 nan 8.240 nan 0.000 0.434 37 A N 0.645 123.496 122.820 0.051 0.000 1.917 37 A HA -0.167 4.154 4.320 0.000 0.000 0.219 37 A C 2.117 179.792 177.584 0.151 0.000 1.182 37 A CA 1.750 53.827 52.037 0.066 0.000 0.633 37 A CB -1.079 17.943 19.000 0.038 0.000 0.819 37 A HN 0.554 nan 8.150 nan 0.000 0.448 38 Y N 0.466 120.791 120.300 0.041 0.000 2.145 38 Y HA -0.094 4.457 4.550 0.001 0.000 0.286 38 Y C 2.750 178.701 175.900 0.086 0.000 1.145 38 Y CA 1.036 59.184 58.100 0.080 0.000 1.148 38 Y CB -0.773 37.752 38.460 0.108 0.000 0.981 38 Y HN 0.315 nan 8.280 nan 0.000 0.507 39 A N 0.007 122.898 122.820 0.118 0.000 1.902 39 A HA -0.153 4.167 4.320 0.000 0.000 0.217 39 A C 2.365 179.948 177.584 -0.003 0.000 1.181 39 A CA 1.746 53.794 52.037 0.018 0.000 0.623 39 A CB -1.166 17.879 19.000 0.074 0.000 0.818 39 A HN 0.519 nan 8.150 nan 0.000 0.443 40 L N -0.765 120.472 121.223 0.023 0.000 2.042 40 L HA -0.243 4.097 4.340 0.000 0.000 0.210 40 L C 3.110 179.988 176.870 0.013 0.000 1.076 40 L CA 1.240 56.085 54.840 0.010 0.000 0.749 40 L CB -0.580 41.486 42.059 0.012 0.000 0.893 40 L HN 0.456 nan 8.230 nan 0.000 0.432 41 A N -0.355 122.485 122.820 0.032 0.000 1.873 41 A HA -0.163 4.158 4.320 0.000 0.000 0.215 41 A C 2.118 179.739 177.584 0.062 0.000 1.186 41 A CA 1.350 53.422 52.037 0.058 0.000 0.616 41 A CB -0.612 18.445 19.000 0.096 0.000 0.823 41 A HN 0.253 nan 8.150 nan 0.000 0.442 42 L N -0.563 120.635 121.223 -0.041 0.000 2.141 42 L HA -0.014 4.326 4.340 0.000 0.000 0.209 42 L C 2.035 178.973 176.870 0.113 0.000 1.094 42 L CA 1.339 56.158 54.840 -0.035 0.000 0.763 42 L CB -0.505 41.398 42.059 -0.259 0.000 0.908 42 L HN 0.359 nan 8.230 nan 0.000 0.437 43 L N -1.263 119.985 121.223 0.041 0.000 2.592 43 L HA 0.256 4.597 4.340 0.000 0.000 0.227 43 L C 1.191 177.975 176.870 -0.143 0.000 1.127 43 L CA 0.398 55.244 54.840 0.010 0.000 0.884 43 L CB -0.439 41.609 42.059 -0.017 0.000 1.065 43 L HN 0.411 nan 8.230 nan 0.000 0.457 44 G N 0.331 109.059 108.800 -0.120 0.000 2.295 44 G HA2 -0.239 3.721 3.960 0.000 0.000 0.287 44 G HA3 -0.239 3.721 3.960 0.000 0.000 0.287 44 G C 0.646 175.430 174.900 -0.193 0.000 1.055 44 G CA 0.390 45.305 45.100 -0.309 0.000 0.922 44 G HN 0.142 nan 8.290 nan 0.000 0.503 45 V N -0.648 119.211 119.914 -0.092 0.000 2.407 45 V HA 0.395 4.516 4.120 0.000 0.000 0.245 45 V C 1.826 177.894 176.094 -0.042 0.000 1.041 45 V CA 2.450 64.712 62.300 -0.064 0.000 1.040 45 V CB -0.236 31.562 31.823 -0.041 0.000 0.671 45 V HN 1.435 nan 8.190 nan 0.000 0.455 46 A N -0.993 121.814 122.820 -0.022 0.000 2.423 46 A HA 0.687 5.007 4.320 0.000 0.000 0.304 46 A C 0.621 178.217 177.584 0.020 0.000 1.104 46 A CA -0.576 51.459 52.037 -0.004 0.000 0.757 46 A CB 1.486 20.484 19.000 -0.004 0.000 1.313 46 A HN 0.044 nan 8.150 nan 0.000 0.423 47 R N 0.214 120.736 120.500 0.036 0.000 2.189 47 R HA 0.047 4.387 4.340 0.000 0.000 0.218 47 R C 0.317 176.688 176.300 0.119 0.000 1.074 47 R CA 1.884 58.029 56.100 0.074 0.000 0.991 47 R CB 0.058 30.402 30.300 0.073 0.000 0.883 47 R HN 0.778 nan 8.270 nan 0.000 0.457 48 E N -0.698 119.550 120.200 0.080 0.000 2.290 48 E HA 0.375 4.725 4.350 0.000 0.000 0.274 48 E C -1.671 174.906 176.600 -0.039 0.000 0.889 48 E CA -0.824 55.608 56.400 0.054 0.000 0.760 48 E CB 1.895 31.638 29.700 0.072 0.000 1.206 48 E HN -0.094 nan 8.360 nan 0.000 0.419 49 V N 4.119 123.976 119.914 -0.094 0.000 2.531 49 V HA 0.417 4.538 4.120 0.000 0.000 0.301 49 V C -0.699 175.287 176.094 -0.180 0.000 1.034 49 V CA -0.798 61.443 62.300 -0.100 0.000 0.865 49 V CB 1.790 33.588 31.823 -0.042 0.000 0.995 49 V HN 0.533 nan 8.190 nan 0.000 0.424 50 V N 6.285 126.100 119.914 -0.165 0.000 2.378 50 V HA 0.471 4.591 4.120 0.000 0.000 0.288 50 V C -0.265 175.745 176.094 -0.141 0.000 1.016 50 V CA -0.479 61.703 62.300 -0.197 0.000 0.840 50 V CB 1.655 33.354 31.823 -0.207 0.000 0.994 50 V HN 0.656 nan 8.190 nan 0.000 0.431 51 L N 5.510 126.655 121.223 -0.131 0.000 2.265 51 L HA 0.558 4.898 4.340 0.000 0.000 0.288 51 L C -0.472 176.320 176.870 -0.130 0.000 1.058 51 L CA -0.441 54.335 54.840 -0.107 0.000 0.809 51 L CB 1.630 43.646 42.059 -0.072 0.000 1.179 51 L HN 0.383 nan 8.230 nan 0.000 0.429 52 V N 2.899 122.722 119.914 -0.152 0.000 2.378 52 V HA 0.440 4.560 4.120 0.000 0.000 0.288 52 V C -0.550 175.426 176.094 -0.196 0.000 1.016 52 V CA -0.518 61.648 62.300 -0.225 0.000 0.840 52 V CB 1.676 33.283 31.823 -0.360 0.000 0.994 52 V HN 0.665 nan 8.190 nan 0.000 0.431 53 D N 3.171 123.470 120.400 -0.168 0.000 2.934 53 D HA 0.367 5.008 4.640 0.000 0.000 0.230 53 D C 0.811 177.048 176.300 -0.104 0.000 1.204 53 D CA -0.560 53.373 54.000 -0.111 0.000 0.873 53 D CB 2.729 43.495 40.800 -0.057 0.000 1.645 53 D HN 0.308 nan 8.370 nan 0.000 0.502 54 L N 1.184 122.364 121.223 -0.072 0.000 2.081 54 L HA -0.161 4.180 4.340 0.000 0.000 0.212 54 L C 1.100 177.951 176.870 -0.032 0.000 1.080 54 L CA 1.162 55.977 54.840 -0.041 0.000 0.754 54 L CB -0.083 41.974 42.059 -0.003 0.000 0.893 54 L HN 0.386 nan 8.230 nan 0.000 0.433 55 D N 0.050 120.434 120.400 -0.026 0.000 2.508 55 D HA -0.005 4.635 4.640 0.000 0.000 0.224 55 D C 1.261 177.545 176.300 -0.028 0.000 1.171 55 D CA -0.021 53.967 54.000 -0.021 0.000 1.006 55 D CB 0.528 41.321 40.800 -0.012 0.000 1.073 55 D HN -0.040 nan 8.370 nan 0.000 0.513 56 R N 2.272 122.752 120.500 -0.033 0.000 2.120 56 R HA -0.063 4.277 4.340 0.000 0.000 0.234 56 R C 1.637 177.919 176.300 -0.030 0.000 1.123 56 R CA 0.695 56.772 56.100 -0.038 0.000 0.975 56 R CB 0.023 30.300 30.300 -0.038 0.000 0.866 56 R HN 0.440 nan 8.270 nan 0.000 0.446 57 K N 0.315 120.697 120.400 -0.029 0.000 2.155 57 K HA -0.067 4.253 4.320 0.000 0.000 0.203 57 K C 1.984 178.557 176.600 -0.045 0.000 1.052 57 K CA 0.423 56.690 56.287 -0.033 0.000 0.948 57 K CB -0.124 32.356 32.500 -0.034 0.000 0.728 57 K HN -0.024 nan 8.250 nan 0.000 0.448 58 L N 1.193 122.395 121.223 -0.036 0.000 2.017 58 L HA -0.123 4.217 4.340 0.000 0.000 0.208 58 L C 2.176 179.059 176.870 0.021 0.000 1.073 58 L CA 1.883 56.704 54.840 -0.032 0.000 0.745 58 L CB -0.725 41.338 42.059 0.006 0.000 0.894 58 L HN 0.074 nan 8.230 nan 0.000 0.432 59 A N -1.091 121.745 122.820 0.026 0.000 1.883 59 A HA -0.284 4.036 4.320 0.000 0.000 0.217 59 A C 2.207 179.806 177.584 0.026 0.000 1.186 59 A CA 1.977 54.035 52.037 0.034 0.000 0.624 59 A CB -0.665 18.320 19.000 -0.025 0.000 0.822 59 A HN 0.659 nan 8.150 nan 0.000 0.444 60 Q N -0.690 119.107 119.800 -0.005 0.000 2.084 60 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 60 Q C 2.434 178.431 176.000 -0.006 0.000 0.978 60 Q CA 1.517 57.318 55.803 -0.003 0.000 0.844 60 Q CB -0.412 28.320 28.738 -0.010 0.000 0.898 60 Q HN 0.693 nan 8.270 nan 0.000 0.426 61 A N 0.295 123.083 122.820 -0.053 0.000 1.877 61 A HA -0.243 4.077 4.320 0.000 0.000 0.216 61 A C 1.582 179.105 177.584 -0.103 0.000 1.186 61 A CA 1.799 53.769 52.037 -0.112 0.000 0.620 61 A CB -0.864 18.013 19.000 -0.205 0.000 0.822 61 A HN 0.422 nan 8.150 nan 0.000 0.443 62 H N -0.746 118.300 119.070 -0.041 0.000 2.321 62 H HA 0.017 4.573 4.556 0.001 0.000 0.300 62 H C 2.507 177.832 175.328 -0.004 0.000 1.087 62 H CA 1.372 57.395 56.048 -0.041 0.000 1.319 62 H CB -0.034 29.694 29.762 -0.057 0.000 1.379 62 H HN 0.540 nan 8.280 nan 0.000 0.501 63 A N 0.692 123.589 122.820 0.128 0.000 1.902 63 A HA -0.247 4.073 4.320 0.000 0.000 0.217 63 A C 2.155 179.817 177.584 0.130 0.000 1.181 63 A CA 1.951 54.044 52.037 0.095 0.000 0.623 63 A CB -0.444 18.579 19.000 0.038 0.000 0.818 63 A HN 0.560 nan 8.150 nan 0.000 0.443 64 E N -0.687 119.585 120.200 0.119 0.000 2.152 64 E HA -0.209 4.141 4.350 0.000 0.000 0.192 64 E C 1.581 178.314 176.600 0.221 0.000 0.983 64 E CA 0.998 57.512 56.400 0.190 0.000 0.818 64 E CB -0.092 29.687 29.700 0.132 0.000 0.758 64 E HN 0.543 nan 8.360 nan 0.000 0.467 65 D N 0.438 120.887 120.400 0.081 0.000 2.097 65 D HA -0.143 4.498 4.640 0.000 0.000 0.195 65 D C 1.866 178.270 176.300 0.173 0.000 0.989 65 D CA 1.086 55.108 54.000 0.037 0.000 0.827 65 D CB -0.090 40.698 40.800 -0.020 0.000 0.966 65 D HN 0.271 nan 8.370 nan 0.000 0.456 66 I N -0.027 120.659 120.570 0.193 0.000 2.315 66 I HA -0.193 3.977 4.170 0.000 0.000 0.248 66 I C 2.266 178.553 176.117 0.283 0.000 1.117 66 I CA 0.234 61.697 61.300 0.271 0.000 1.404 66 I CB -0.128 38.029 38.000 0.261 0.000 1.071 66 I HN 0.087 nan 8.210 nan 0.000 0.419 67 L N 0.493 121.872 121.223 0.259 0.000 2.127 67 L HA -0.257 4.084 4.340 0.000 0.000 0.211 67 L C 2.494 179.466 176.870 0.170 0.000 1.089 67 L CA 1.994 56.961 54.840 0.211 0.000 0.757 67 L CB -0.933 41.244 42.059 0.197 0.000 0.899 67 L HN 0.311 nan 8.230 nan 0.000 0.434 68 H N -1.533 117.628 119.070 0.152 0.000 2.524 68 H HA 0.052 4.608 4.556 0.000 0.000 0.282 68 H C 1.978 177.468 175.328 0.271 0.000 1.016 68 H CA 0.798 56.950 56.048 0.174 0.000 1.270 68 H CB 0.227 30.080 29.762 0.151 0.000 1.394 68 H HN 0.497 nan 8.280 nan 0.000 0.568 69 A N 0.927 123.980 122.820 0.388 0.000 1.970 69 A HA -0.119 4.201 4.320 0.000 0.000 0.216 69 A C 2.631 180.422 177.584 0.346 0.000 1.170 69 A CA 1.406 53.699 52.037 0.427 0.000 0.645 69 A CB -0.643 18.628 19.000 0.452 0.000 0.816 69 A HN 0.497 nan 8.150 nan 0.000 0.447 70 T N -1.876 112.798 114.554 0.200 0.000 2.833 70 T HA -0.057 4.294 4.350 0.000 0.000 0.269 70 T C -0.397 174.293 174.700 -0.017 0.000 1.054 70 T CA 1.355 63.516 62.100 0.101 0.000 1.135 70 T CB -1.494 67.429 68.868 0.092 0.000 0.869 70 T HN 0.345 nan 8.240 nan 0.000 0.466 71 P HA 0.048 nan 4.420 nan 0.000 0.225 71 P C 0.456 177.462 177.300 -0.490 0.000 1.148 71 P CA 0.702 63.567 63.100 -0.392 0.000 0.779 71 P CB -0.353 30.981 31.700 -0.609 0.000 0.780 72 F N -2.158 117.781 119.950 -0.019 0.000 2.693 72 F HA 0.425 4.952 4.527 -0.000 0.000 0.303 72 F C 1.634 177.377 175.800 -0.096 0.000 1.097 72 F CA 0.015 57.992 58.000 -0.038 0.000 1.330 72 F CB -0.206 38.791 39.000 -0.005 0.000 1.067 72 F HN -0.061 nan 8.300 nan 0.000 0.565 73 A N -1.214 121.584 122.820 -0.037 0.000 1.721 73 A HA 0.469 4.789 4.320 0.000 0.000 0.162 73 A C -0.757 176.520 177.584 -0.510 0.000 1.771 73 A CA -0.046 51.844 52.037 -0.245 0.000 1.560 73 A CB 0.465 19.407 19.000 -0.096 0.000 1.297 73 A HN 0.255 nan 8.150 nan 0.000 0.965 74 H N -0.599 118.480 119.070 0.015 0.000 2.851 74 H HA 0.518 5.075 4.556 0.001 0.000 0.372 74 H C -2.933 172.402 175.328 0.012 0.000 1.158 74 H CA -1.868 54.185 56.048 0.008 0.000 1.159 74 H CB 1.568 31.336 29.762 0.010 0.000 1.757 74 H HN 0.183 nan 8.280 nan 0.000 0.546 75 P HA 0.074 nan 4.420 nan 0.000 0.269 75 P C -1.007 176.359 177.300 0.109 0.000 1.263 75 P CA 0.072 63.220 63.100 0.080 0.000 0.813 75 P CB 0.237 31.966 31.700 0.048 0.000 0.868 76 V N 4.495 124.485 119.914 0.126 0.000 2.623 76 V HA 0.279 4.399 4.120 0.000 0.000 0.304 76 V C -0.910 175.321 176.094 0.228 0.000 1.054 76 V CA -0.682 61.709 62.300 0.151 0.000 0.882 76 V CB 2.208 34.106 31.823 0.125 0.000 1.002 76 V HN 0.475 nan 8.190 nan 0.000 0.424 77 W N 6.481 127.793 121.300 0.020 0.000 2.433 77 W HA 0.609 5.268 4.660 -0.001 0.000 0.331 77 W C -0.698 175.836 176.519 0.026 0.000 1.110 77 W CA -0.893 56.463 57.345 0.017 0.000 1.450 77 W CB 0.773 30.238 29.460 0.009 0.000 1.348 77 W HN 0.354 nan 8.180 nan 0.000 0.415 78 V N 8.428 128.416 119.914 0.123 0.000 2.407 78 V HA 0.585 4.705 4.120 0.000 0.000 0.278 78 V C 0.147 176.164 176.094 -0.129 0.000 1.037 78 V CA -0.659 61.617 62.300 -0.040 0.000 0.900 78 V CB 0.962 32.827 31.823 0.070 0.000 0.983 78 V HN 0.474 nan 8.190 nan 0.000 0.459 79 R N 3.800 124.134 120.500 -0.277 0.000 2.680 79 R HA 0.882 5.222 4.340 0.000 0.000 0.269 79 R C -0.827 175.359 176.300 -0.190 0.000 1.026 79 R CA -0.662 55.289 56.100 -0.249 0.000 0.889 79 R CB 1.890 31.881 30.300 -0.515 0.000 1.241 79 R HN 0.638 nan 8.270 nan 0.000 0.463 84 S N -1.326 114.291 115.700 -0.137 0.000 2.758 84 S HA 0.533 5.003 4.470 0.000 0.000 0.292 84 S C 0.956 175.450 174.600 -0.176 0.000 1.131 84 S CA -0.417 57.678 58.200 -0.176 0.000 0.997 84 S CB 1.002 64.158 63.200 -0.072 0.000 1.111 84 S HN 0.525 nan 8.310 nan 0.000 0.552 85 Y N 1.096 121.369 120.300 -0.044 0.000 2.151 85 Y HA -0.030 4.520 4.550 -0.000 0.000 0.284 85 Y C 2.809 178.683 175.900 -0.043 0.000 1.166 85 Y CA 1.734 59.805 58.100 -0.048 0.000 1.163 85 Y CB -1.330 37.104 38.460 -0.044 0.000 0.974 85 Y HN 0.879 nan 8.280 nan 0.000 0.511 86 G N -0.321 108.548 108.800 0.116 0.000 2.469 86 G HA2 -0.244 3.716 3.960 0.000 0.000 0.220 86 G HA3 -0.244 3.716 3.960 0.000 0.000 0.220 86 G C 1.191 176.104 174.900 0.022 0.000 1.136 86 G CA 1.340 46.475 45.100 0.058 0.000 0.759 86 G HN 0.341 nan 8.290 nan 0.000 0.562 87 D N 0.166 120.561 120.400 -0.009 0.000 2.378 87 D HA 0.039 4.679 4.640 0.000 0.000 0.227 87 D C 2.010 178.281 176.300 -0.049 0.000 1.012 87 D CA 0.151 54.126 54.000 -0.042 0.000 0.905 87 D CB 0.206 40.953 40.800 -0.088 0.000 0.895 87 D HN 0.325 nan 8.370 nan 0.000 0.532 88 L N 0.850 122.064 121.223 -0.015 0.000 2.592 88 L HA 0.038 4.378 4.340 0.000 0.000 0.227 88 L C 0.744 177.610 176.870 -0.008 0.000 1.127 88 L CA -0.154 54.677 54.840 -0.015 0.000 0.884 88 L CB -0.110 41.961 42.059 0.020 0.000 1.065 88 L HN -0.082 nan 8.230 nan 0.000 0.457 89 E N 0.765 120.964 120.200 -0.001 0.000 2.415 89 E HA 0.225 4.576 4.350 0.000 0.000 0.263 89 E C 1.098 177.700 176.600 0.002 0.000 0.995 89 E CA 0.714 57.117 56.400 0.004 0.000 0.915 89 E CB 0.621 30.327 29.700 0.010 0.000 0.951 89 E HN 0.255 nan 8.360 nan 0.000 0.449 90 G N 2.069 110.870 108.800 0.002 0.000 2.176 90 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 90 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 90 G C 0.446 175.346 174.900 -0.001 0.000 0.979 90 G CA 0.012 45.114 45.100 0.004 0.000 0.641 90 G HN 1.180 nan 8.290 nan 0.000 0.530 91 A N -0.138 122.677 122.820 -0.007 0.000 2.511 91 A HA 0.650 4.970 4.320 0.000 0.000 0.242 91 A C 1.242 178.819 177.584 -0.011 0.000 1.069 91 A CA 0.958 52.987 52.037 -0.014 0.000 0.763 91 A CB 0.175 19.163 19.000 -0.021 0.000 1.001 91 A HN 0.491 nan 8.150 nan 0.000 0.498 92 R N 0.861 121.355 120.500 -0.011 0.000 2.290 92 R HA 0.357 4.698 4.340 0.000 0.000 0.197 92 R C 0.176 176.468 176.300 -0.014 0.000 0.913 92 R CA 0.877 56.971 56.100 -0.010 0.000 1.040 92 R CB 0.429 30.726 30.300 -0.006 0.000 0.992 92 R HN 0.788 nan 8.270 nan 0.000 0.500 93 A N 0.357 123.165 122.820 -0.019 0.000 2.517 93 A HA 0.561 4.881 4.320 0.000 0.000 0.297 93 A C -1.308 176.259 177.584 -0.029 0.000 1.050 93 A CA -0.537 51.485 52.037 -0.024 0.000 0.694 93 A CB 1.906 20.889 19.000 -0.028 0.000 1.277 93 A HN -0.048 nan 8.150 nan 0.000 0.400 94 V N 2.431 122.327 119.914 -0.031 0.000 2.483 94 V HA 0.411 4.531 4.120 0.000 0.000 0.297 94 V C -0.252 175.817 176.094 -0.041 0.000 1.027 94 V CA -0.646 61.633 62.300 -0.036 0.000 0.855 94 V CB 1.662 33.465 31.823 -0.034 0.000 0.995 94 V HN 0.722 nan 8.190 nan 0.000 0.424 95 V N 6.405 126.294 119.914 -0.041 0.000 2.461 95 V HA 0.327 4.447 4.120 0.000 0.000 0.275 95 V C 0.129 176.194 176.094 -0.047 0.000 1.047 95 V CA -0.300 61.978 62.300 -0.037 0.000 0.955 95 V CB 1.347 33.152 31.823 -0.030 0.000 0.988 95 V HN 0.626 nan 8.190 nan 0.000 0.471 96 L N 5.155 126.348 121.223 -0.049 0.000 2.288 96 L HA 0.516 4.856 4.340 0.000 0.000 0.283 96 L C 0.766 177.655 176.870 0.030 0.000 1.072 96 L CA -0.169 54.618 54.840 -0.088 0.000 0.862 96 L CB 0.854 42.759 42.059 -0.255 0.000 1.245 96 L HN 0.745 nan 8.230 nan 0.000 0.432 97 A N 2.750 125.584 122.820 0.023 0.000 2.827 97 A HA 0.657 4.977 4.320 0.000 0.000 0.300 97 A C 0.704 178.337 177.584 0.081 0.000 1.237 97 A CA -0.267 51.807 52.037 0.062 0.000 0.964 97 A CB 0.130 19.138 19.000 0.013 0.000 1.143 97 A HN 0.629 nan 8.150 nan 0.000 0.554 98 A N -0.269 122.632 122.820 0.135 0.000 2.316 98 A HA 0.831 5.152 4.320 0.000 0.000 0.284 98 A C 0.610 178.335 177.584 0.235 0.000 1.115 98 A CA 0.308 52.431 52.037 0.144 0.000 0.812 98 A CB 0.539 19.588 19.000 0.081 0.000 1.064 98 A HN 1.780 nan 8.150 nan 0.000 0.489 99 G N -1.207 107.679 108.800 0.144 0.000 2.324 99 G HA2 0.589 4.550 3.960 0.000 0.000 0.293 99 G HA3 0.589 4.550 3.960 0.000 0.000 0.293 99 G C -0.946 173.992 174.900 0.063 0.000 1.297 99 G CA 0.130 45.298 45.100 0.112 0.000 0.853 99 G HN 2.051 nan 8.290 nan 0.000 0.535 100 V N -2.539 117.400 119.914 0.043 0.000 3.001 100 V HA 0.963 5.083 4.120 0.000 0.000 0.314 100 V C 0.533 176.638 176.094 0.019 0.000 1.099 100 V CA -0.510 61.808 62.300 0.029 0.000 0.989 100 V CB 1.349 33.189 31.823 0.028 0.000 1.040 100 V HN 2.374 nan 8.190 nan 0.000 0.434 101 A N 1.771 124.600 122.820 0.014 0.000 2.366 101 A HA 0.460 4.780 4.320 0.000 0.000 0.272 101 A C 0.228 177.818 177.584 0.009 0.000 1.135 101 A CA -0.267 51.776 52.037 0.011 0.000 0.804 101 A CB 0.248 19.253 19.000 0.008 0.000 1.064 101 A HN 1.046 nan 8.150 nan 0.000 0.499 102 Q N 1.573 121.378 119.800 0.008 0.000 2.315 102 Q HA 0.115 4.455 4.340 0.000 0.000 0.289 102 Q C 0.247 176.251 176.000 0.007 0.000 1.044 102 Q CA 0.608 56.416 55.803 0.007 0.000 0.920 102 Q CB 0.413 29.156 28.738 0.007 0.000 1.214 102 Q HN 0.758 nan 8.270 nan 0.000 0.392 106 G N 1.015 109.819 108.800 0.006 0.000 2.283 106 G HA2 -0.252 3.708 3.960 0.000 0.000 0.280 106 G HA3 -0.252 3.708 3.960 0.000 0.000 0.280 106 G C 0.058 174.961 174.900 0.006 0.000 1.029 106 G CA 0.677 45.781 45.100 0.006 0.000 0.840 106 G HN 0.897 nan 8.290 nan 0.000 0.505 107 E N 0.729 120.932 120.200 0.006 0.000 2.191 107 E HA 0.559 4.909 4.350 0.000 0.000 0.278 107 E C 1.040 177.643 176.600 0.006 0.000 0.972 107 E CA -0.113 56.290 56.400 0.006 0.000 0.804 107 E CB 0.819 30.522 29.700 0.006 0.000 1.110 107 E HN 0.340 nan 8.360 nan 0.000 0.394 108 T N 1.505 116.062 114.554 0.005 0.000 2.813 108 T HA 0.161 4.511 4.350 0.000 0.000 0.297 108 T C 1.173 175.875 174.700 0.004 0.000 1.036 108 T CA -0.513 61.590 62.100 0.005 0.000 1.044 108 T CB 1.293 70.164 68.868 0.006 0.000 0.993 108 T HN 0.656 nan 8.240 nan 0.000 0.535 109 R N -0.404 120.099 120.500 0.004 0.000 2.103 109 R HA -0.082 4.258 4.340 0.000 0.000 0.242 109 R C 2.017 178.316 176.300 -0.002 0.000 1.142 109 R CA 1.116 57.216 56.100 0.001 0.000 0.960 109 R CB -0.469 29.832 30.300 0.001 0.000 0.858 109 R HN 0.532 nan 8.270 nan 0.000 0.439 110 L N 0.761 121.985 121.223 0.002 0.000 2.217 110 L HA -0.088 4.252 4.340 0.000 0.000 0.211 110 L C 1.972 178.843 176.870 0.003 0.000 1.107 110 L CA 1.581 56.423 54.840 0.004 0.000 0.783 110 L CB -0.370 41.694 42.059 0.009 0.000 0.919 110 L HN 0.175 nan 8.230 nan 0.000 0.442 111 Q N -1.567 118.235 119.800 0.003 0.000 2.083 111 Q HA -0.192 4.148 4.340 0.000 0.000 0.198 111 Q C 2.084 178.085 176.000 0.002 0.000 0.969 111 Q CA 1.303 57.108 55.803 0.004 0.000 0.838 111 Q CB -0.236 28.504 28.738 0.005 0.000 0.900 111 Q HN 0.341 nan 8.270 nan 0.000 0.436 112 L N 0.500 121.722 121.223 -0.002 0.000 2.046 112 L HA -0.159 4.181 4.340 0.000 0.000 0.208 112 L C 1.997 178.856 176.870 -0.019 0.000 1.077 112 L CA 1.419 56.255 54.840 -0.006 0.000 0.747 112 L CB -0.634 41.421 42.059 -0.007 0.000 0.896 112 L HN 0.240 nan 8.230 nan 0.000 0.432 113 L N -0.306 120.903 121.223 -0.024 0.000 2.012 113 L HA -0.236 4.105 4.340 0.000 0.000 0.210 113 L C 2.068 178.918 176.870 -0.034 0.000 1.073 113 L CA 2.035 56.849 54.840 -0.044 0.000 0.748 113 L CB -0.987 41.052 42.059 -0.032 0.000 0.891 113 L HN 0.315 nan 8.230 nan 0.000 0.431 114 D N -0.474 119.924 120.400 -0.003 0.000 2.160 114 D HA -0.251 4.389 4.640 0.000 0.000 0.189 114 D C 2.363 178.671 176.300 0.014 0.000 1.003 114 D CA 1.843 55.852 54.000 0.016 0.000 0.846 114 D CB -0.076 40.734 40.800 0.017 0.000 0.949 114 D HN 0.297 nan 8.370 nan 0.000 0.446 115 R N -0.210 120.295 120.500 0.007 0.000 2.092 115 R HA -0.032 4.308 4.340 0.000 0.000 0.231 115 R C 1.908 178.219 176.300 0.018 0.000 1.119 115 R CA 0.931 57.042 56.100 0.017 0.000 0.970 115 R CB -0.115 30.194 30.300 0.015 0.000 0.864 115 R HN 0.184 nan 8.270 nan 0.000 0.440 116 N N 0.611 119.300 118.700 -0.018 0.000 2.216 116 N HA -0.080 4.660 4.740 0.000 0.000 0.183 116 N C 1.576 177.033 175.510 -0.089 0.000 1.017 116 N CA 1.331 54.350 53.050 -0.052 0.000 0.861 116 N CB -0.217 38.189 38.487 -0.136 0.000 0.986 116 N HN 0.195 nan 8.380 nan 0.000 0.428 117 A N 1.016 123.777 122.820 -0.098 0.000 1.933 117 A HA -0.142 4.178 4.320 0.000 0.000 0.218 117 A C 2.101 179.730 177.584 0.075 0.000 1.175 117 A CA 1.142 53.131 52.037 -0.081 0.000 0.628 117 A CB -0.321 18.675 19.000 -0.007 0.000 0.814 117 A HN 0.166 nan 8.150 nan 0.000 0.444 118 Q N -0.383 119.468 119.800 0.084 0.000 2.119 118 Q HA -0.075 4.265 4.340 0.000 0.000 0.201 118 Q C 2.307 178.380 176.000 0.121 0.000 0.972 118 Q CA 1.377 57.240 55.803 0.100 0.000 0.847 118 Q CB -0.694 28.086 28.738 0.070 0.000 0.903 118 Q HN 0.484 nan 8.270 nan 0.000 0.433 119 V N 0.477 120.478 119.914 0.146 0.000 2.343 119 V HA -0.224 3.896 4.120 0.000 0.000 0.247 119 V C 1.992 178.246 176.094 0.267 0.000 1.051 119 V CA 1.487 63.903 62.300 0.192 0.000 1.036 119 V CB -0.609 31.346 31.823 0.219 0.000 0.654 119 V HN 0.169 nan 8.190 nan 0.000 0.451 120 F N 0.729 120.676 119.950 -0.005 0.000 2.234 120 F HA -0.047 4.481 4.527 0.000 0.000 0.299 120 F C 2.384 178.172 175.800 -0.019 0.000 1.087 120 F CA 0.759 58.746 58.000 -0.022 0.000 1.340 120 F CB -1.196 37.766 39.000 -0.063 0.000 1.031 120 F HN 0.110 nan 8.300 nan 0.000 0.500 121 A N -0.517 122.411 122.820 0.179 0.000 1.978 121 A HA -0.204 4.116 4.320 0.000 0.000 0.220 121 A C 2.200 179.800 177.584 0.028 0.000 1.170 121 A CA 1.511 53.609 52.037 0.101 0.000 0.636 121 A CB -0.434 18.633 19.000 0.111 0.000 0.810 121 A HN 0.315 nan 8.150 nan 0.000 0.448 122 Q N -0.698 119.117 119.800 0.025 0.000 2.123 122 Q HA 0.002 4.342 4.340 0.000 0.000 0.196 122 Q C 2.363 178.293 176.000 -0.116 0.000 0.958 122 Q CA 1.333 57.120 55.803 -0.027 0.000 0.841 122 Q CB -0.767 27.984 28.738 0.021 0.000 0.915 122 Q HN 0.470 nan 8.270 nan 0.000 0.455 123 V N 0.704 120.564 119.914 -0.091 0.000 2.270 123 V HA -0.195 3.925 4.120 0.000 0.000 0.245 123 V C 2.510 178.449 176.094 -0.258 0.000 1.043 123 V CA 1.353 63.559 62.300 -0.157 0.000 1.014 123 V CB -0.617 31.102 31.823 -0.173 0.000 0.645 123 V HN 0.067 nan 8.190 nan 0.000 0.447 124 V N 1.125 120.909 119.914 -0.216 0.000 2.255 124 V HA -0.158 3.962 4.120 0.000 0.000 0.247 124 V C 0.294 176.283 176.094 -0.175 0.000 1.051 124 V CA 2.670 64.856 62.300 -0.190 0.000 1.018 124 V CB -1.997 29.752 31.823 -0.125 0.000 0.641 124 V HN 0.540 nan 8.190 nan 0.000 0.445 125 P HA -0.152 nan 4.420 nan 0.000 0.217 125 P C 1.439 178.606 177.300 -0.221 0.000 1.150 125 P CA 1.342 64.347 63.100 -0.157 0.000 0.832 125 P CB -0.168 31.457 31.700 -0.125 0.000 0.787 126 R N -0.194 120.082 120.500 -0.374 0.000 2.075 126 R HA -0.007 4.333 4.340 0.000 0.000 0.232 126 R C 2.417 178.476 176.300 -0.401 0.000 1.126 126 R CA 0.752 56.518 56.100 -0.557 0.000 0.963 126 R CB -1.804 27.723 30.300 -1.290 0.000 0.858 126 R HN 0.162 nan 8.270 nan 0.000 0.435 127 V N 2.052 121.777 119.914 -0.315 0.000 2.255 127 V HA -0.222 3.898 4.120 0.000 0.000 0.247 127 V C 2.533 178.582 176.094 -0.075 0.000 1.051 127 V CA 1.678 63.928 62.300 -0.084 0.000 1.018 127 V CB -0.505 31.283 31.823 -0.058 0.000 0.641 127 V HN 0.210 nan 8.190 nan 0.000 0.445 128 L N -0.536 120.628 121.223 -0.099 0.000 2.201 128 L HA -0.182 4.158 4.340 0.000 0.000 0.212 128 L C 2.506 179.338 176.870 -0.062 0.000 1.105 128 L CA 1.423 56.220 54.840 -0.071 0.000 0.775 128 L CB -0.591 41.424 42.059 -0.074 0.000 0.913 128 L HN 0.431 nan 8.230 nan 0.000 0.440 129 E N 0.245 120.396 120.200 -0.082 0.000 2.077 129 E HA -0.227 4.123 4.350 0.000 0.000 0.193 129 E C 2.151 178.729 176.600 -0.036 0.000 0.989 129 E CA 1.386 57.748 56.400 -0.064 0.000 0.800 129 E CB 0.040 29.689 29.700 -0.086 0.000 0.746 129 E HN 0.499 nan 8.360 nan 0.000 0.452 130 A N -0.039 122.765 122.820 -0.027 0.000 1.997 130 A HA 0.444 4.764 4.320 0.000 0.000 0.212 130 A C 0.844 178.427 177.584 -0.002 0.000 1.178 130 A CA 0.656 52.693 52.037 -0.000 0.000 0.698 130 A CB 0.432 19.451 19.000 0.032 0.000 0.842 130 A HN 0.226 nan 8.150 nan 0.000 0.458 131 A N -0.987 121.828 122.820 -0.009 0.000 2.454 131 A HA 0.566 4.886 4.320 0.000 0.000 0.302 131 A C 0.253 177.827 177.584 -0.016 0.000 1.079 131 A CA -0.379 51.652 52.037 -0.009 0.000 0.731 131 A CB 0.640 19.636 19.000 -0.007 0.000 1.299 131 A HN 0.142 nan 8.150 nan 0.000 0.413 132 E N -0.840 119.354 120.200 -0.010 0.000 2.671 132 E HA -0.295 4.055 4.350 0.000 0.000 0.267 132 E C 0.730 177.327 176.600 -0.005 0.000 1.448 132 E CA 1.369 57.766 56.400 -0.005 0.000 0.719 132 E CB -1.896 27.803 29.700 -0.002 0.000 1.241 132 E HN 0.981 nan 8.360 nan 0.000 0.410 133 A N 0.548 123.362 122.820 -0.010 0.000 2.388 133 A HA 0.359 4.679 4.320 0.000 0.000 0.257 133 A C 0.511 178.089 177.584 -0.008 0.000 1.095 133 A CA -0.420 51.610 52.037 -0.011 0.000 0.791 133 A CB 0.874 19.864 19.000 -0.017 0.000 1.029 133 A HN -0.003 nan 8.150 nan 0.000 0.489 134 V N 3.592 123.502 119.914 -0.007 0.000 2.572 134 V HA 0.097 4.218 4.120 0.000 0.000 0.291 134 V C 0.369 176.458 176.094 -0.009 0.000 1.039 134 V CA 0.189 62.487 62.300 -0.002 0.000 1.055 134 V CB 0.539 32.359 31.823 -0.005 0.000 0.969 134 V HN 0.658 nan 8.190 nan 0.000 0.482 135 L N 6.084 127.306 121.223 -0.001 0.000 2.292 135 L HA 0.492 4.833 4.340 0.000 0.000 0.284 135 L C -0.356 176.514 176.870 -0.001 0.000 1.065 135 L CA -0.301 54.532 54.840 -0.011 0.000 0.806 135 L CB 1.163 43.215 42.059 -0.011 0.000 1.175 135 L HN 0.462 nan 8.230 nan 0.000 0.431 136 L N 4.515 125.730 121.223 -0.013 0.000 2.318 136 L HA 0.406 4.746 4.340 0.000 0.000 0.277 136 L C -0.524 176.354 176.870 0.013 0.000 1.008 136 L CA -0.533 54.303 54.840 -0.007 0.000 0.846 136 L CB 1.808 43.851 42.059 -0.026 0.000 1.220 136 L HN 0.310 nan 8.230 nan 0.000 0.423 137 V N 3.255 123.198 119.914 0.048 0.000 2.465 137 V HA 0.380 4.500 4.120 0.000 0.000 0.279 137 V C 0.783 176.927 176.094 0.084 0.000 1.045 137 V CA 0.212 62.581 62.300 0.114 0.000 0.938 137 V CB 1.301 33.231 31.823 0.179 0.000 0.986 137 V HN 0.908 nan 8.190 nan 0.000 0.467 138 A N 3.166 126.050 122.820 0.107 0.000 2.138 138 A HA 0.245 4.565 4.320 0.000 0.000 0.203 138 A C 1.119 178.748 177.584 0.075 0.000 1.286 138 A CA 0.110 52.185 52.037 0.063 0.000 0.929 138 A CB 0.040 19.065 19.000 0.043 0.000 0.975 138 A HN 0.652 nan 8.150 nan 0.000 0.480 139 T N 2.923 117.552 114.554 0.124 0.000 2.934 139 T HA 0.109 4.460 4.350 0.000 0.000 0.306 139 T C -0.017 174.690 174.700 0.011 0.000 1.042 139 T CA 0.032 62.175 62.100 0.072 0.000 1.145 139 T CB 0.060 68.973 68.868 0.075 0.000 0.982 139 T HN 0.368 nan 8.240 nan 0.000 0.544 140 N N 4.029 122.739 118.700 0.018 0.000 2.524 140 N HA 0.270 5.010 4.740 0.000 0.000 0.283 140 N C -2.373 173.118 175.510 -0.031 0.000 1.142 140 N CA -1.407 51.657 53.050 0.023 0.000 0.984 140 N CB 0.746 39.267 38.487 0.056 0.000 1.155 140 N HN 0.404 nan 8.380 nan 0.000 0.467 141 P HA 0.047 nan 4.420 nan 0.000 0.282 141 P C 0.948 178.253 177.300 0.009 0.000 1.274 141 P CA -0.235 62.871 63.100 0.009 0.000 0.770 141 P CB 1.173 32.870 31.700 -0.004 0.000 0.867 142 V N 3.279 123.234 119.914 0.069 0.000 2.490 142 V HA -0.205 3.916 4.120 0.000 0.000 0.250 142 V C 1.596 177.706 176.094 0.027 0.000 1.061 142 V CA 2.061 64.386 62.300 0.042 0.000 1.064 142 V CB -0.569 31.278 31.823 0.040 0.000 0.670 142 V HN 0.457 nan 8.190 nan 0.000 0.461 143 D N -0.321 120.104 120.400 0.042 0.000 2.097 143 D HA -0.116 4.524 4.640 0.000 0.000 0.197 143 D C 2.187 178.499 176.300 0.020 0.000 0.984 143 D CA 1.709 55.730 54.000 0.035 0.000 0.826 143 D CB -0.206 40.620 40.800 0.042 0.000 0.973 143 D HN 0.438 nan 8.370 nan 0.000 0.460 144 V N 1.672 121.585 119.914 -0.003 0.000 2.343 144 V HA -0.230 3.890 4.120 0.000 0.000 0.247 144 V C 2.491 178.522 176.094 -0.105 0.000 1.051 144 V CA 1.180 63.463 62.300 -0.029 0.000 1.036 144 V CB -0.345 31.454 31.823 -0.040 0.000 0.654 144 V HN 0.183 nan 8.190 nan 0.000 0.451 145 M N -0.317 119.194 119.600 -0.148 0.000 2.229 145 M HA -0.113 4.367 4.480 0.000 0.000 0.264 145 M C 2.225 178.479 176.300 -0.078 0.000 1.063 145 M CA 1.660 56.797 55.300 -0.272 0.000 1.114 145 M CB -1.717 30.665 32.600 -0.364 0.000 1.387 145 M HN 0.390 nan 8.290 nan 0.000 0.420 146 T N 0.070 114.633 114.554 0.016 0.000 2.746 146 T HA -0.192 4.158 4.350 0.000 0.000 0.267 146 T C 1.810 176.586 174.700 0.127 0.000 1.039 146 T CA 1.595 63.752 62.100 0.094 0.000 1.142 146 T CB -0.141 68.775 68.868 0.080 0.000 0.866 146 T HN 0.363 nan 8.240 nan 0.000 0.444 147 Q N 0.730 120.591 119.800 0.101 0.000 2.050 147 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 147 Q C 2.231 178.271 176.000 0.067 0.000 0.980 147 Q CA 1.433 57.348 55.803 0.188 0.000 0.840 147 Q CB -0.554 28.296 28.738 0.186 0.000 0.898 147 Q HN 0.325 nan 8.270 nan 0.000 0.424 148 V N 0.839 120.616 119.914 -0.228 0.000 2.255 148 V HA -0.327 3.793 4.120 0.000 0.000 0.247 148 V C 2.330 178.337 176.094 -0.144 0.000 1.051 148 V CA 1.967 63.906 62.300 -0.602 0.000 1.018 148 V CB -1.327 30.022 31.823 -0.789 0.000 0.641 148 V HN 0.579 nan 8.190 nan 0.000 0.445 149 A N -0.961 121.912 122.820 0.089 0.000 1.908 149 A HA -0.297 4.023 4.320 0.000 0.000 0.218 149 A C 2.171 179.813 177.584 0.096 0.000 1.181 149 A CA 2.291 54.429 52.037 0.167 0.000 0.627 149 A CB -0.815 18.322 19.000 0.228 0.000 0.818 149 A HN 0.701 nan 8.150 nan 0.000 0.445 150 Y N 0.491 120.798 120.300 0.012 0.000 2.181 150 Y HA -0.185 4.365 4.550 0.000 0.000 0.288 150 Y C 2.445 178.309 175.900 -0.061 0.000 1.146 150 Y CA 1.946 60.028 58.100 -0.031 0.000 1.164 150 Y CB -0.171 38.265 38.460 -0.040 0.000 0.982 150 Y HN 0.168 nan 8.280 nan 0.000 0.515 151 R N 0.416 120.808 120.500 -0.179 0.000 2.081 151 R HA -0.113 4.227 4.340 0.000 0.000 0.235 151 R C 2.344 178.565 176.300 -0.132 0.000 1.131 151 R CA 1.664 57.650 56.100 -0.190 0.000 0.960 151 R CB -1.142 29.323 30.300 0.275 0.000 0.856 151 R HN 0.444 nan 8.270 nan 0.000 0.436 152 L N 1.110 122.330 121.223 -0.006 0.000 2.093 152 L HA -0.140 4.200 4.340 0.000 0.000 0.208 152 L C 2.644 179.466 176.870 -0.079 0.000 1.085 152 L CA 1.543 56.388 54.840 0.007 0.000 0.755 152 L CB -0.649 41.444 42.059 0.058 0.000 0.904 152 L HN 0.246 nan 8.230 nan 0.000 0.435 153 S N -0.140 115.486 115.700 -0.123 0.000 2.383 153 S HA -0.083 4.388 4.470 0.000 0.000 0.227 153 S C 1.806 176.319 174.600 -0.145 0.000 1.026 153 S CA 0.861 58.989 58.200 -0.120 0.000 0.981 153 S CB -0.505 62.638 63.200 -0.095 0.000 0.818 153 S HN 0.555 nan 8.310 nan 0.000 0.472 154 G N 0.819 109.481 108.800 -0.231 0.000 2.162 154 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 154 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 154 G C -0.005 174.795 174.900 -0.167 0.000 0.976 154 G CA 0.569 45.546 45.100 -0.205 0.000 0.655 154 G HN 0.577 nan 8.290 nan 0.000 0.533 155 L N 0.462 121.590 121.223 -0.159 0.000 2.454 155 L HA 0.508 4.848 4.340 0.000 0.000 0.256 155 L C -1.530 175.358 176.870 0.031 0.000 1.136 155 L CA -2.378 52.434 54.840 -0.046 0.000 0.804 155 L CB 0.537 42.594 42.059 -0.003 0.000 1.181 155 L HN -0.126 nan 8.230 nan 0.000 0.469 156 P HA 0.076 nan 4.420 nan 0.000 0.269 156 P C -2.183 175.274 177.300 0.262 0.000 1.215 156 P CA -0.972 62.223 63.100 0.158 0.000 0.780 156 P CB -0.006 31.752 31.700 0.096 0.000 0.898 157 P HA -0.140 nan 4.420 nan 0.000 0.218 157 P C 1.485 178.843 177.300 0.098 0.000 1.148 157 P CA 1.768 64.942 63.100 0.124 0.000 0.822 157 P CB -0.339 31.396 31.700 0.058 0.000 0.784 158 G N -0.321 108.535 108.800 0.093 0.000 2.470 158 G HA2 -0.210 3.751 3.960 0.000 0.000 0.220 158 G HA3 -0.210 3.751 3.960 0.000 0.000 0.220 158 G C 1.601 176.539 174.900 0.064 0.000 1.121 158 G CA 0.294 45.431 45.100 0.063 0.000 0.766 158 G HN 0.195 nan 8.290 nan 0.000 0.553 159 R N -0.419 120.133 120.500 0.087 0.000 2.240 159 R HA 0.114 4.454 4.340 0.000 0.000 0.203 159 R C 0.026 176.369 176.300 0.072 0.000 1.011 159 R CA 0.158 56.298 56.100 0.067 0.000 1.007 159 R CB 0.154 30.490 30.300 0.061 0.000 0.911 159 R HN 0.258 nan 8.270 nan 0.000 0.468 160 V N 2.166 122.147 119.914 0.111 0.000 2.334 160 V HA 0.280 4.400 4.120 0.000 0.000 0.281 160 V C -0.247 175.898 176.094 0.084 0.000 1.016 160 V CA -0.637 61.731 62.300 0.113 0.000 0.832 160 V CB 1.893 33.836 31.823 0.200 0.000 0.999 160 V HN -0.236 nan 8.190 nan 0.000 0.439 161 V N 3.849 123.794 119.914 0.052 0.000 2.531 161 V HA 0.746 4.866 4.120 0.000 0.000 0.301 161 V C 0.639 176.747 176.094 0.024 0.000 1.034 161 V CA -0.475 61.842 62.300 0.029 0.000 0.865 161 V CB 1.874 33.699 31.823 0.002 0.000 0.995 161 V HN 0.861 nan 8.190 nan 0.000 0.424 162 G N 1.841 110.654 108.800 0.022 0.000 2.367 162 G HA2 0.446 4.406 3.960 0.000 0.000 0.314 162 G HA3 0.446 4.406 3.960 0.000 0.000 0.314 162 G C 0.991 175.877 174.900 -0.024 0.000 1.130 162 G CA 0.275 45.382 45.100 0.013 0.000 0.864 162 G HN 0.904 nan 8.290 nan 0.000 0.486 163 S N 1.530 117.202 115.700 -0.045 0.000 2.400 163 S HA 0.067 4.538 4.470 0.000 0.000 0.232 163 S C 2.087 176.618 174.600 -0.116 0.000 1.025 163 S CA 1.187 59.337 58.200 -0.083 0.000 0.993 163 S CB -0.817 62.326 63.200 -0.094 0.000 0.808 163 S HN 2.253 nan 8.310 nan 0.000 0.478 164 G N 1.628 110.347 108.800 -0.136 0.000 2.622 164 G HA2 -0.414 3.546 3.960 0.000 0.000 0.307 164 G HA3 -0.414 3.546 3.960 0.000 0.000 0.307 164 G C 0.773 175.524 174.900 -0.248 0.000 1.226 164 G CA 1.787 46.810 45.100 -0.128 0.000 0.997 164 G HN 1.410 nan 8.290 nan 0.000 0.551 165 T N -0.062 114.452 114.554 -0.067 0.000 3.206 165 T HA 0.470 4.820 4.350 0.000 0.000 0.253 165 T C 2.337 177.048 174.700 0.019 0.000 1.042 165 T CA 1.023 63.130 62.100 0.010 0.000 0.931 165 T CB -0.366 68.553 68.868 0.085 0.000 1.029 165 T HN 1.258 nan 8.240 nan 0.000 0.564 166 I N -1.341 119.225 120.570 -0.008 0.000 2.264 166 I HA -0.106 4.064 4.170 0.000 0.000 0.248 166 I C 1.914 178.062 176.117 0.051 0.000 1.111 166 I CA 1.179 62.510 61.300 0.052 0.000 1.382 166 I CB -0.692 37.338 38.000 0.050 0.000 1.060 166 I HN 0.110 nan 8.210 nan 0.000 0.418 167 L N 1.525 122.760 121.223 0.021 0.000 2.046 167 L HA -0.173 4.167 4.340 0.000 0.000 0.208 167 L C 2.261 179.175 176.870 0.073 0.000 1.077 167 L CA 1.853 56.723 54.840 0.049 0.000 0.747 167 L CB -1.098 40.991 42.059 0.051 0.000 0.896 167 L HN 0.321 nan 8.230 nan 0.000 0.432 168 D N -1.524 118.929 120.400 0.088 0.000 2.123 168 D HA -0.125 4.515 4.640 0.000 0.000 0.200 168 D C 2.042 178.396 176.300 0.090 0.000 0.976 168 D CA 1.565 55.615 54.000 0.084 0.000 0.831 168 D CB -0.096 40.759 40.800 0.091 0.000 0.974 168 D HN 0.284 nan 8.370 nan 0.000 0.469 169 T N 1.070 115.684 114.554 0.100 0.000 2.708 169 T HA -0.122 4.228 4.350 0.000 0.000 0.266 169 T C 2.053 176.802 174.700 0.080 0.000 1.037 169 T CA 1.523 63.695 62.100 0.119 0.000 1.146 169 T CB -0.227 68.713 68.868 0.121 0.000 0.865 169 T HN 0.185 nan 8.240 nan 0.000 0.435 170 A N 1.507 124.366 122.820 0.065 0.000 1.902 170 A HA -0.110 4.210 4.320 0.000 0.000 0.217 170 A C 2.277 179.889 177.584 0.047 0.000 1.181 170 A CA 1.843 53.905 52.037 0.041 0.000 0.623 170 A CB -0.496 18.535 19.000 0.051 0.000 0.818 170 A HN 0.272 nan 8.150 nan 0.000 0.443 171 R N -1.167 119.377 120.500 0.074 0.000 2.075 171 R HA -0.072 4.268 4.340 0.000 0.000 0.232 171 R C 1.785 178.163 176.300 0.130 0.000 1.126 171 R CA 1.403 57.553 56.100 0.083 0.000 0.963 171 R CB -1.015 29.332 30.300 0.078 0.000 0.858 171 R HN 0.441 nan 8.270 nan 0.000 0.435 172 F N 1.429 121.334 119.950 -0.076 0.000 2.063 172 F HA -0.233 4.294 4.527 0.001 0.000 0.298 172 F C 1.862 177.569 175.800 -0.154 0.000 1.109 172 F CA 1.886 59.798 58.000 -0.147 0.000 1.212 172 F CB -0.527 38.343 39.000 -0.217 0.000 0.973 172 F HN 0.015 nan 8.300 nan 0.000 0.480 173 R N -0.186 120.249 120.500 -0.108 0.000 2.081 173 R HA -0.097 4.243 4.340 0.000 0.000 0.235 173 R C 2.436 178.673 176.300 -0.106 0.000 1.131 173 R CA 1.313 57.278 56.100 -0.225 0.000 0.960 173 R CB -0.869 29.312 30.300 -0.199 0.000 0.856 173 R HN 0.342 nan 8.270 nan 0.000 0.436 174 A N 1.364 124.169 122.820 -0.026 0.000 1.883 174 A HA -0.153 4.167 4.320 0.000 0.000 0.217 174 A C 2.199 179.805 177.584 0.036 0.000 1.186 174 A CA 1.250 53.291 52.037 0.007 0.000 0.624 174 A CB -0.611 18.405 19.000 0.028 0.000 0.822 174 A HN 0.181 nan 8.150 nan 0.000 0.444 175 L N -0.738 120.524 121.223 0.065 0.000 2.046 175 L HA -0.179 4.161 4.340 0.000 0.000 0.208 175 L C 2.619 179.558 176.870 0.116 0.000 1.077 175 L CA 1.063 55.969 54.840 0.110 0.000 0.747 175 L CB -0.501 41.647 42.059 0.149 0.000 0.896 175 L HN 0.389 nan 8.230 nan 0.000 0.432 176 L N -0.543 120.696 121.223 0.027 0.000 2.046 176 L HA -0.216 4.124 4.340 0.000 0.000 0.208 176 L C 2.906 179.827 176.870 0.085 0.000 1.077 176 L CA 1.165 56.005 54.840 0.001 0.000 0.747 176 L CB -0.743 41.172 42.059 -0.240 0.000 0.896 176 L HN 0.260 nan 8.230 nan 0.000 0.432 177 A N 0.050 122.884 122.820 0.024 0.000 1.917 177 A HA -0.292 4.028 4.320 0.000 0.000 0.219 177 A C 2.292 179.936 177.584 0.099 0.000 1.182 177 A CA 2.222 54.286 52.037 0.045 0.000 0.633 177 A CB -0.577 18.423 19.000 0.001 0.000 0.819 177 A HN 0.580 nan 8.150 nan 0.000 0.448 178 E N -2.172 118.095 120.200 0.113 0.000 2.158 178 E HA -0.181 4.169 4.350 0.000 0.000 0.191 178 E C 1.810 178.486 176.600 0.128 0.000 0.982 178 E CA 1.059 57.520 56.400 0.102 0.000 0.823 178 E CB -0.299 29.457 29.700 0.093 0.000 0.766 178 E HN 0.718 nan 8.360 nan 0.000 0.468 179 Y N 1.103 121.443 120.300 0.067 0.000 2.286 179 Y HA 0.054 4.604 4.550 -0.000 0.000 0.293 179 Y C 1.824 177.777 175.900 0.088 0.000 1.124 179 Y CA 1.135 59.283 58.100 0.080 0.000 1.178 179 Y CB 0.055 38.578 38.460 0.104 0.000 1.010 179 Y HN -0.014 nan 8.280 nan 0.000 0.536 180 L N 0.239 121.643 121.223 0.301 0.000 2.554 180 L HA 0.075 4.415 4.340 0.000 0.000 0.226 180 L C 0.340 177.299 176.870 0.148 0.000 1.137 180 L CA 0.358 55.361 54.840 0.271 0.000 0.863 180 L CB -0.279 42.070 42.059 0.484 0.000 0.985 180 L HN 0.063 nan 8.230 nan 0.000 0.451 181 R N -0.114 120.438 120.500 0.088 0.000 3.146 181 R HA -0.141 4.199 4.340 0.000 0.000 0.250 181 R C -0.731 175.634 176.300 0.109 0.000 0.912 181 R CA 0.279 56.417 56.100 0.065 0.000 0.633 181 R CB -1.666 28.643 30.300 0.016 0.000 1.180 181 R HN 0.186 nan 8.270 nan 0.000 0.464 182 V N -0.480 119.504 119.914 0.117 0.000 3.114 182 V HA 0.793 4.913 4.120 0.000 0.000 0.308 182 V C -0.543 175.573 176.094 0.038 0.000 1.168 182 V CA -0.202 62.163 62.300 0.108 0.000 1.015 182 V CB 2.218 34.143 31.823 0.170 0.000 1.050 182 V HN 0.449 nan 8.190 nan 0.000 0.433 183 A N 5.538 128.366 122.820 0.014 0.000 2.511 183 A HA 0.499 4.819 4.320 0.000 0.000 0.242 183 A C -1.704 175.858 177.584 -0.037 0.000 1.069 183 A CA -0.465 51.567 52.037 -0.008 0.000 0.763 183 A CB -0.061 18.932 19.000 -0.011 0.000 1.001 183 A HN 0.797 nan 8.150 nan 0.000 0.498 184 P HA -0.136 nan 4.420 nan 0.000 0.216 184 P C 1.813 179.064 177.300 -0.082 0.000 1.150 184 P CA 2.277 65.342 63.100 -0.059 0.000 0.843 184 P CB 0.147 31.825 31.700 -0.037 0.000 0.787 185 Q N -0.651 119.110 119.800 -0.064 0.000 2.488 185 Q HA 0.025 4.365 4.340 0.000 0.000 0.211 185 Q C 2.069 178.015 176.000 -0.089 0.000 0.967 185 Q CA 1.457 57.217 55.803 -0.071 0.000 0.926 185 Q CB -1.442 27.266 28.738 -0.049 0.000 0.992 185 Q HN 0.179 nan 8.270 nan 0.000 0.506 186 S N -0.748 114.891 115.700 -0.103 0.000 2.524 186 S HA 0.221 4.691 4.470 0.000 0.000 0.216 186 S C 0.472 174.956 174.600 -0.193 0.000 0.987 186 S CA 0.089 58.208 58.200 -0.135 0.000 0.909 186 S CB 0.416 63.538 63.200 -0.130 0.000 0.781 186 S HN 0.507 nan 8.310 nan 0.000 0.521 187 V N 2.399 122.196 119.914 -0.194 0.000 2.407 187 V HA 0.303 4.423 4.120 0.000 0.000 0.278 187 V C -0.371 175.579 176.094 -0.240 0.000 1.037 187 V CA -0.679 61.473 62.300 -0.247 0.000 0.900 187 V CB 0.854 32.520 31.823 -0.262 0.000 0.983 187 V HN 0.398 nan 8.190 nan 0.000 0.459 188 H N 4.134 122.985 119.070 -0.365 0.000 2.673 188 H HA 0.754 5.311 4.556 0.001 0.000 0.293 188 H C -0.344 174.657 175.328 -0.546 0.000 1.065 188 H CA 0.078 55.859 56.048 -0.444 0.000 1.236 188 H CB 0.844 30.384 29.762 -0.371 0.000 1.389 188 H HN 0.857 nan 8.280 nan 0.000 0.481 189 A N 4.467 126.705 122.820 -0.970 0.000 2.475 189 A HA 0.567 4.887 4.320 0.000 0.000 0.301 189 A C -1.957 175.178 177.584 -0.749 0.000 1.059 189 A CA -0.661 50.830 52.037 -0.910 0.000 0.710 189 A CB 0.997 19.287 19.000 -1.183 0.000 1.288 189 A HN 0.593 nan 8.150 nan 0.000 0.408 190 Y N 0.153 120.320 120.300 -0.223 0.000 2.468 190 Y HA 0.566 5.115 4.550 -0.001 0.000 0.342 190 Y C -0.051 175.888 175.900 0.065 0.000 1.021 190 Y CA -1.032 57.016 58.100 -0.087 0.000 1.079 190 Y CB 2.325 40.713 38.460 -0.120 0.000 1.226 190 Y HN 0.403 nan 8.280 nan 0.000 0.460 191 V N 5.187 125.233 119.914 0.220 0.000 2.384 191 V HA 0.489 4.610 4.120 0.000 0.000 0.287 191 V C -0.303 175.830 176.094 0.066 0.000 1.020 191 V CA -0.703 61.645 62.300 0.080 0.000 0.850 191 V CB 0.987 32.830 31.823 0.033 0.000 0.987 191 V HN 0.579 nan 8.190 nan 0.000 0.436 192 L N 3.676 124.918 121.223 0.032 0.000 2.279 192 L HA 1.003 5.343 4.340 0.000 0.000 0.262 192 L C 0.908 177.783 176.870 0.010 0.000 1.019 192 L CA -0.114 54.729 54.840 0.006 0.000 0.823 192 L CB 1.955 44.006 42.059 -0.013 0.000 1.358 192 L HN 0.854 nan 8.230 nan 0.000 0.432 193 G N 0.751 109.553 108.800 0.003 0.000 2.481 193 G HA2 -0.211 3.750 3.960 0.000 0.000 0.230 193 G HA3 -0.211 3.750 3.960 0.000 0.000 0.230 193 G C -0.503 174.411 174.900 0.024 0.000 1.210 193 G CA -0.170 44.935 45.100 0.008 0.000 0.936 193 G HN 0.756 nan 8.290 nan 0.000 0.583 194 E N 0.821 121.036 120.200 0.025 0.000 2.316 194 E HA 0.213 4.563 4.350 0.000 0.000 0.275 194 E C 0.364 177.007 176.600 0.071 0.000 1.029 194 E CA -0.425 55.999 56.400 0.041 0.000 0.871 194 E CB 0.117 29.828 29.700 0.018 0.000 1.022 194 E HN 0.588 nan 8.360 nan 0.000 0.418 195 H N 3.973 123.041 119.070 -0.003 0.000 3.091 195 H HA 0.233 4.790 4.556 0.001 0.000 0.289 195 H C 0.138 175.465 175.328 -0.001 0.000 0.995 195 H CA 1.056 57.104 56.048 -0.001 0.000 1.461 195 H CB 0.042 29.807 29.762 0.005 0.000 1.510 195 H HN 0.794 nan 8.280 nan 0.000 0.546 196 G N 4.402 113.036 108.800 -0.278 0.000 2.293 196 G HA2 -0.220 3.740 3.960 0.000 0.000 0.282 196 G HA3 -0.220 3.740 3.960 0.000 0.000 0.282 196 G C 0.256 175.080 174.900 -0.126 0.000 1.299 196 G CA -0.057 44.885 45.100 -0.264 0.000 1.018 196 G HN 0.528 nan 8.290 nan 0.000 0.478 197 D N -0.030 120.310 120.400 -0.101 0.000 2.203 197 D HA -0.135 4.505 4.640 0.000 0.000 0.199 197 D C 2.277 178.545 176.300 -0.053 0.000 0.997 197 D CA 1.909 55.865 54.000 -0.072 0.000 0.863 197 D CB -0.078 40.682 40.800 -0.067 0.000 0.928 197 D HN 0.443 nan 8.370 nan 0.000 0.458 198 S N 0.345 116.018 115.700 -0.045 0.000 2.603 198 S HA -0.067 4.403 4.470 0.000 0.000 0.220 198 S C 0.595 175.183 174.600 -0.020 0.000 0.967 198 S CA -0.372 57.812 58.200 -0.027 0.000 0.920 198 S CB -0.214 62.974 63.200 -0.019 0.000 0.773 198 S HN 0.340 nan 8.310 nan 0.000 0.529 199 E N 0.785 120.969 120.200 -0.027 0.000 2.418 199 E HA 0.190 4.540 4.350 0.000 0.000 0.261 199 E C -0.875 175.711 176.600 -0.023 0.000 1.070 199 E CA -0.445 55.945 56.400 -0.016 0.000 0.931 199 E CB 0.672 30.365 29.700 -0.013 0.000 0.954 199 E HN 0.088 nan 8.360 nan 0.000 0.439 200 V N 3.584 123.490 119.914 -0.014 0.000 2.328 200 V HA 0.127 4.247 4.120 0.000 0.000 0.278 200 V C -0.216 175.854 176.094 -0.040 0.000 1.021 200 V CA -0.834 61.462 62.300 -0.007 0.000 0.838 200 V CB 0.689 32.524 31.823 0.021 0.000 0.999 200 V HN 0.534 nan 8.190 nan 0.000 0.447 201 L N 5.760 126.921 121.223 -0.104 0.000 2.369 201 L HA 0.226 4.566 4.340 0.000 0.000 0.279 201 L C 0.318 177.143 176.870 -0.075 0.000 1.108 201 L CA 0.540 55.196 54.840 -0.306 0.000 0.852 201 L CB 1.297 42.953 42.059 -0.671 0.000 1.169 201 L HN 0.453 nan 8.230 nan 0.000 0.452 202 V N 4.917 124.857 119.914 0.044 0.000 2.276 202 V HA -0.005 4.115 4.120 0.000 0.000 0.249 202 V C 0.557 176.752 176.094 0.168 0.000 1.160 202 V CA -0.185 62.203 62.300 0.146 0.000 1.042 202 V CB -0.561 31.366 31.823 0.173 0.000 1.224 202 V HN 0.827 nan 8.190 nan 0.000 0.496 203 W N 2.101 123.525 121.300 0.206 0.000 2.409 203 W HA -0.154 4.507 4.660 0.001 0.000 0.299 203 W C 2.753 179.339 176.519 0.112 0.000 1.203 203 W CA 1.424 58.883 57.345 0.191 0.000 1.298 203 W CB -0.310 29.235 29.460 0.142 0.000 1.127 203 W HN 0.661 nan 8.180 nan 0.000 0.528 204 S N 0.053 115.947 115.700 0.324 0.000 2.359 204 S HA -0.218 4.252 4.470 0.000 0.000 0.224 204 S C 1.699 176.397 174.600 0.163 0.000 1.035 204 S CA 1.790 60.116 58.200 0.209 0.000 1.018 204 S CB -1.078 62.218 63.200 0.160 0.000 0.876 204 S HN 0.180 nan 8.310 nan 0.000 0.448 205 S N 0.914 116.709 115.700 0.157 0.000 2.539 205 S HA 0.668 5.138 4.470 0.000 0.000 0.221 205 S C 0.581 175.259 174.600 0.131 0.000 0.987 205 S CA -0.097 58.186 58.200 0.138 0.000 0.929 205 S CB -0.198 63.096 63.200 0.156 0.000 0.832 205 S HN 0.803 nan 8.310 nan 0.000 0.492 206 A N 2.751 125.622 122.820 0.086 0.000 2.546 206 A HA 0.416 4.736 4.320 0.000 0.000 0.243 206 A C 0.465 178.054 177.584 0.008 0.000 1.063 206 A CA -0.221 51.805 52.037 -0.018 0.000 0.757 206 A CB 0.010 18.899 19.000 -0.186 0.000 0.991 206 A HN 0.701 nan 8.150 nan 0.000 0.503 207 Q N 1.228 121.039 119.800 0.018 0.000 2.433 207 Q HA 0.706 5.046 4.340 0.000 0.000 0.279 207 Q C -0.954 174.948 176.000 -0.163 0.000 1.105 207 Q CA -0.961 54.808 55.803 -0.057 0.000 0.815 207 Q CB 1.830 30.528 28.738 -0.066 0.000 1.403 207 Q HN 0.311 nan 8.270 nan 0.000 0.435 208 V N -0.152 119.606 119.914 -0.260 0.000 3.408 208 V HA 0.126 4.246 4.120 0.000 0.000 0.263 208 V C -1.670 174.171 176.094 -0.421 0.000 1.503 208 V CA -0.173 61.842 62.300 -0.475 0.000 1.046 208 V CB 0.335 31.573 31.823 -0.975 0.000 0.851 208 V HN 0.691 nan 8.190 nan 0.000 0.435 209 P HA 0.007 nan 4.420 nan 0.000 0.303 209 P C 1.242 178.598 177.300 0.094 0.000 1.403 209 P CA 0.062 63.197 63.100 0.058 0.000 0.887 209 P CB -0.042 31.699 31.700 0.068 0.000 1.583 210 L N -1.985 119.334 121.223 0.162 0.000 2.885 210 L HA -0.375 3.965 4.340 0.000 0.000 0.207 210 L C 2.315 179.265 176.870 0.134 0.000 1.080 210 L CA 2.663 57.593 54.840 0.149 0.000 0.847 210 L CB -2.837 39.292 42.059 0.116 0.000 0.906 210 L HN 0.605 nan 8.230 nan 0.000 0.462 211 E N -0.803 119.473 120.200 0.127 0.000 2.046 211 E HA -0.204 4.146 4.350 0.000 0.000 0.190 211 E C 1.935 178.609 176.600 0.123 0.000 0.982 211 E CA 1.188 57.650 56.400 0.103 0.000 0.800 211 E CB -0.916 28.833 29.700 0.083 0.000 0.756 211 E HN 0.522 nan 8.360 nan 0.000 0.449 212 F N 1.756 121.728 119.950 0.037 0.000 2.085 212 F HA -0.208 4.319 4.527 0.001 0.000 0.299 212 F C 2.621 178.451 175.800 0.050 0.000 1.096 212 F CA 2.434 60.455 58.000 0.035 0.000 1.227 212 F CB -0.565 38.453 39.000 0.029 0.000 0.983 212 F HN 0.279 nan 8.300 nan 0.000 0.482 213 A N 0.095 123.028 122.820 0.187 0.000 1.883 213 A HA -0.203 4.117 4.320 0.000 0.000 0.217 213 A C 2.189 179.771 177.584 -0.003 0.000 1.186 213 A CA 1.779 53.887 52.037 0.117 0.000 0.624 213 A CB -0.904 18.243 19.000 0.245 0.000 0.822 213 A HN 0.492 nan 8.150 nan 0.000 0.444 214 E N 0.017 120.230 120.200 0.021 0.000 2.035 214 E HA -0.198 4.152 4.350 0.000 0.000 0.204 214 E C 1.802 178.365 176.600 -0.063 0.000 1.025 214 E CA 1.461 57.858 56.400 -0.005 0.000 0.835 214 E CB -0.679 29.029 29.700 0.013 0.000 0.764 214 E HN 0.510 nan 8.360 nan 0.000 0.457 215 A N 0.847 123.611 122.820 -0.095 0.000 2.478 215 A HA 0.053 4.373 4.320 0.000 0.000 0.239 215 A C 1.422 178.856 177.584 -0.251 0.000 1.480 215 A CA 0.540 52.497 52.037 -0.134 0.000 1.308 215 A CB -0.498 18.440 19.000 -0.104 0.000 0.899 215 A HN 0.094 nan 8.150 nan 0.000 0.600 216 R N -1.346 119.014 120.500 -0.234 0.000 2.580 216 R HA 0.261 4.601 4.340 0.000 0.000 0.285 216 R C 0.905 177.113 176.300 -0.154 0.000 0.947 216 R CA 1.004 56.938 56.100 -0.277 0.000 1.102 216 R CB 0.179 30.180 30.300 -0.498 0.000 1.696 216 R HN 0.956 nan 8.270 nan 0.000 0.506 217 G N 1.714 110.452 108.800 -0.104 0.000 2.256 217 G HA2 -0.295 3.665 3.960 0.000 0.000 0.272 217 G HA3 -0.295 3.665 3.960 0.000 0.000 0.272 217 G C -0.646 174.216 174.900 -0.064 0.000 1.076 217 G CA 0.580 45.639 45.100 -0.068 0.000 0.882 217 G HN 0.225 nan 8.290 nan 0.000 0.497 218 R N -0.951 119.529 120.500 -0.034 0.000 2.518 218 R HA 0.640 4.980 4.340 0.000 0.000 0.296 218 R C 0.996 177.382 176.300 0.143 0.000 1.080 218 R CA 0.155 56.275 56.100 0.032 0.000 0.922 218 R CB 1.179 31.445 30.300 -0.056 0.000 1.184 218 R HN 0.461 nan 8.270 nan 0.000 0.445 219 A N 3.028 125.926 122.820 0.129 0.000 2.067 219 A HA 0.134 4.454 4.320 0.000 0.000 0.217 219 A C 0.667 178.328 177.584 0.129 0.000 1.156 219 A CA 0.396 52.500 52.037 0.112 0.000 0.683 219 A CB -0.108 18.931 19.000 0.065 0.000 0.808 219 A HN 0.742 nan 8.150 nan 0.000 0.455 220 L N 0.733 122.079 121.223 0.204 0.000 3.453 220 L HA -0.166 4.174 4.340 0.000 0.000 0.650 220 L C 0.731 177.599 176.870 -0.003 0.000 1.276 220 L CA -0.143 54.740 54.840 0.072 0.000 1.063 220 L CB -2.173 39.893 42.059 0.012 0.000 1.664 220 L HN 0.699 nan 8.230 nan 0.000 0.878 221 S N 0.591 116.305 115.700 0.024 0.000 2.589 221 S HA 0.182 4.652 4.470 0.000 0.000 0.256 221 S C -0.738 173.814 174.600 -0.080 0.000 1.383 221 S CA -0.361 57.829 58.200 -0.016 0.000 0.983 221 S CB 0.471 63.676 63.200 0.008 0.000 0.908 221 S HN 0.471 nan 8.310 nan 0.000 0.572 222 P HA -0.016 nan 4.420 nan 0.000 0.226 222 P C 0.827 178.058 177.300 -0.115 0.000 1.153 222 P CA 1.031 64.047 63.100 -0.139 0.000 0.777 222 P CB -0.036 31.599 31.700 -0.107 0.000 0.794 223 E N -0.166 119.997 120.200 -0.062 0.000 2.158 223 E HA -0.100 4.250 4.350 0.000 0.000 0.191 223 E C 1.509 178.096 176.600 -0.020 0.000 0.982 223 E CA 0.600 56.981 56.400 -0.032 0.000 0.823 223 E CB -0.223 29.474 29.700 -0.004 0.000 0.766 223 E HN 0.288 nan 8.360 nan 0.000 0.468 224 D N 0.810 121.195 120.400 -0.025 0.000 2.117 224 D HA -0.097 4.544 4.640 0.000 0.000 0.198 224 D C 1.898 178.164 176.300 -0.057 0.000 0.982 224 D CA 0.802 54.791 54.000 -0.018 0.000 0.828 224 D CB -0.075 40.697 40.800 -0.046 0.000 0.967 224 D HN 0.104 nan 8.370 nan 0.000 0.464 225 R N 0.707 121.106 120.500 -0.169 0.000 2.115 225 R HA 0.015 4.355 4.340 0.000 0.000 0.230 225 R C 2.227 178.484 176.300 -0.071 0.000 1.111 225 R CA 0.919 56.856 56.100 -0.272 0.000 0.976 225 R CB -0.100 29.702 30.300 -0.829 0.000 0.870 225 R HN 0.075 nan 8.270 nan 0.000 0.445 226 A N 1.183 123.958 122.820 -0.076 0.000 1.872 226 A HA -0.107 4.213 4.320 0.000 0.000 0.214 226 A C 2.081 179.682 177.584 0.028 0.000 1.187 226 A CA 0.787 52.808 52.037 -0.025 0.000 0.614 226 A CB -0.295 18.682 19.000 -0.039 0.000 0.826 226 A HN 0.152 nan 8.150 nan 0.000 0.442 227 R N -0.497 120.026 120.500 0.037 0.000 2.094 227 R HA -0.142 4.198 4.340 0.000 0.000 0.239 227 R C 1.976 178.333 176.300 0.094 0.000 1.137 227 R CA 1.948 58.086 56.100 0.063 0.000 0.943 227 R CB -0.564 29.781 30.300 0.075 0.000 0.850 227 R HN 0.585 nan 8.270 nan 0.000 0.433 228 I N 0.649 121.303 120.570 0.141 0.000 2.493 228 I HA -0.238 3.932 4.170 0.000 0.000 0.254 228 I C 2.351 178.569 176.117 0.169 0.000 1.160 228 I CA 1.025 62.444 61.300 0.199 0.000 1.445 228 I CB -0.356 37.848 38.000 0.339 0.000 1.086 228 I HN 0.267 nan 8.210 nan 0.000 0.433 229 D N 1.477 121.978 120.400 0.167 0.000 2.149 229 D HA -0.181 4.459 4.640 0.000 0.000 0.201 229 D C 2.065 178.384 176.300 0.031 0.000 0.972 229 D CA 1.714 55.770 54.000 0.093 0.000 0.835 229 D CB 0.391 41.269 40.800 0.129 0.000 0.966 229 D HN 0.403 nan 8.370 nan 0.000 0.476 230 E N 0.527 120.752 120.200 0.042 0.000 2.106 230 E HA -0.055 4.295 4.350 0.000 0.000 0.192 230 E C 2.205 178.828 176.600 0.038 0.000 0.984 230 E CA 1.371 57.788 56.400 0.028 0.000 0.806 230 E CB -1.547 28.171 29.700 0.030 0.000 0.750 230 E HN 0.459 nan 8.360 nan 0.000 0.458 231 G N 0.276 109.108 108.800 0.054 0.000 2.440 231 G HA2 -0.156 3.804 3.960 0.000 0.000 0.218 231 G HA3 -0.156 3.804 3.960 0.000 0.000 0.218 231 G C 1.929 176.856 174.900 0.046 0.000 1.154 231 G CA 1.550 46.686 45.100 0.060 0.000 0.767 231 G HN 0.462 nan 8.290 nan 0.000 0.552 232 V N 0.293 120.220 119.914 0.021 0.000 2.273 232 V HA -0.011 4.110 4.120 0.000 0.000 0.242 232 V C 2.691 178.781 176.094 -0.008 0.000 1.035 232 V CA 1.807 64.104 62.300 -0.005 0.000 1.013 232 V CB -0.508 31.259 31.823 -0.093 0.000 0.652 232 V HN 0.342 nan 8.190 nan 0.000 0.452 233 R N 0.005 120.488 120.500 -0.028 0.000 2.105 233 R HA -0.112 4.228 4.340 0.000 0.000 0.239 233 R C 2.019 178.315 176.300 -0.006 0.000 1.135 233 R CA 1.278 57.360 56.100 -0.030 0.000 0.967 233 R CB 0.031 30.306 30.300 -0.041 0.000 0.861 233 R HN 0.267 nan 8.270 nan 0.000 0.442 234 R N -0.479 120.033 120.500 0.020 0.000 2.393 234 R HA 0.201 4.541 4.340 0.000 0.000 0.244 234 R C 1.361 177.727 176.300 0.109 0.000 0.920 234 R CA 0.534 56.671 56.100 0.061 0.000 1.076 234 R CB 0.621 30.952 30.300 0.052 0.000 1.119 234 R HN 0.232 nan 8.270 nan 0.000 0.524 235 A N 1.398 124.262 122.820 0.073 0.000 1.845 235 A HA -0.133 4.187 4.320 0.000 0.000 0.215 235 A C 2.318 179.941 177.584 0.065 0.000 1.195 235 A CA 1.907 53.984 52.037 0.066 0.000 0.616 235 A CB -0.559 18.473 19.000 0.055 0.000 0.832 235 A HN 0.286 nan 8.150 nan 0.000 0.443 236 A N -1.388 121.471 122.820 0.066 0.000 1.892 236 A HA -0.214 4.106 4.320 0.000 0.000 0.218 236 A C 2.182 179.806 177.584 0.065 0.000 1.188 236 A CA 2.015 54.085 52.037 0.055 0.000 0.631 236 A CB -1.003 18.021 19.000 0.040 0.000 0.822 236 A HN 0.850 nan 8.150 nan 0.000 0.447 237 Y N 0.529 120.818 120.300 -0.019 0.000 2.128 237 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 237 Y C 2.522 178.417 175.900 -0.008 0.000 1.154 237 Y CA 2.185 60.275 58.100 -0.016 0.000 1.149 237 Y CB -0.353 38.096 38.460 -0.017 0.000 0.976 237 Y HN 0.263 nan 8.280 nan 0.000 0.505 238 R N 0.016 120.504 120.500 -0.019 0.000 2.091 238 R HA -0.177 4.163 4.340 0.000 0.000 0.238 238 R C 2.275 178.492 176.300 -0.138 0.000 1.136 238 R CA 2.066 58.101 56.100 -0.108 0.000 0.959 238 R CB -0.518 29.795 30.300 0.022 0.000 0.856 238 R HN 0.439 nan 8.270 nan 0.000 0.437 239 I N 0.352 120.872 120.570 -0.084 0.000 2.233 239 I HA -0.245 3.926 4.170 0.000 0.000 0.243 239 I C 2.229 178.280 176.117 -0.110 0.000 1.093 239 I CA 1.212 62.464 61.300 -0.081 0.000 1.380 239 I CB -0.202 37.761 38.000 -0.062 0.000 1.067 239 I HN 0.096 nan 8.210 nan 0.000 0.413 240 I N 0.596 121.092 120.570 -0.122 0.000 2.286 240 I HA -0.271 3.899 4.170 0.000 0.000 0.248 240 I C 2.454 178.472 176.117 -0.165 0.000 1.115 240 I CA 1.284 62.514 61.300 -0.117 0.000 1.392 240 I CB -0.225 37.723 38.000 -0.087 0.000 1.065 240 I HN 0.164 nan 8.210 nan 0.000 0.418 241 E N 0.748 120.772 120.200 -0.294 0.000 2.150 241 E HA -0.132 4.218 4.350 0.000 0.000 0.193 241 E C 2.117 178.625 176.600 -0.154 0.000 0.985 241 E CA 1.298 57.527 56.400 -0.286 0.000 0.814 241 E CB -0.311 29.100 29.700 -0.481 0.000 0.752 241 E HN 0.459 nan 8.360 nan 0.000 0.466 242 G N 0.044 108.770 108.800 -0.124 0.000 2.595 242 G HA2 -0.126 3.834 3.960 0.000 0.000 0.213 242 G HA3 -0.126 3.834 3.960 0.000 0.000 0.213 242 G C 1.186 176.060 174.900 -0.043 0.000 1.141 242 G CA 0.724 45.782 45.100 -0.070 0.000 0.806 242 G HN 0.335 nan 8.290 nan 0.000 0.530 243 K N -1.923 118.449 120.400 -0.046 0.000 2.554 243 K HA 0.432 4.752 4.320 0.000 0.000 0.211 243 K C 1.323 177.924 176.600 0.001 0.000 1.226 243 K CA 0.777 57.056 56.287 -0.014 0.000 1.025 243 K CB 0.647 33.141 32.500 -0.009 0.000 1.021 243 K HN 0.394 nan 8.250 nan 0.000 0.600 244 G N 0.923 109.710 108.800 -0.022 0.000 2.420 244 G HA2 -0.201 3.759 3.960 0.000 0.000 0.221 244 G HA3 -0.201 3.759 3.960 0.000 0.000 0.221 244 G C 0.191 175.098 174.900 0.013 0.000 1.117 244 G CA -0.064 45.035 45.100 -0.002 0.000 0.657 244 G HN 0.830 nan 8.290 nan 0.000 0.512 245 A N -0.610 122.230 122.820 0.034 0.000 2.587 245 A HA 0.926 5.246 4.320 0.000 0.000 0.293 245 A C -0.097 177.460 177.584 -0.046 0.000 1.087 245 A CA 0.771 52.842 52.037 0.056 0.000 0.692 245 A CB 1.167 20.262 19.000 0.158 0.000 1.291 245 A HN 1.737 nan 8.150 nan 0.000 0.407 246 T N -1.303 113.224 114.554 -0.044 0.000 2.895 246 T HA 0.678 5.028 4.350 0.000 0.000 0.283 246 T C -0.008 174.638 174.700 -0.089 0.000 1.014 246 T CA 0.326 62.317 62.100 -0.182 0.000 1.037 246 T CB 0.949 69.780 68.868 -0.061 0.000 1.006 246 T HN 1.531 nan 8.240 nan 0.000 0.468 247 Y N -1.777 118.466 120.300 -0.095 0.000 2.508 247 Y HA 0.240 4.790 4.550 -0.000 0.000 0.292 247 Y C 1.428 177.285 175.900 -0.072 0.000 1.038 247 Y CA -0.779 57.243 58.100 -0.129 0.000 0.969 247 Y CB -0.506 37.810 38.460 -0.240 0.000 1.388 247 Y HN 0.477 nan 8.280 nan 0.000 0.570 248 Y N 2.428 122.738 120.300 0.017 0.000 2.128 248 Y HA 0.023 4.573 4.550 0.000 0.000 0.284 248 Y C 2.713 178.646 175.900 0.055 0.000 1.154 248 Y CA 1.752 59.909 58.100 0.095 0.000 1.149 248 Y CB -1.027 37.443 38.460 0.017 0.000 0.976 248 Y HN 0.362 nan 8.280 nan 0.000 0.505 249 G N -0.035 108.861 108.800 0.161 0.000 2.480 249 G HA2 -0.287 3.673 3.960 0.000 0.000 0.216 249 G HA3 -0.287 3.673 3.960 0.000 0.000 0.216 249 G C 1.813 176.763 174.900 0.084 0.000 1.200 249 G CA 1.104 46.265 45.100 0.102 0.000 0.782 249 G HN 0.470 nan 8.290 nan 0.000 0.554 250 I N 1.144 121.756 120.570 0.070 0.000 2.493 250 I HA -0.009 4.161 4.170 0.000 0.000 0.254 250 I C 2.721 178.873 176.117 0.059 0.000 1.160 250 I CA 1.129 62.457 61.300 0.046 0.000 1.445 250 I CB -0.277 37.741 38.000 0.031 0.000 1.086 250 I HN 0.221 nan 8.210 nan 0.000 0.433 251 G N 0.396 109.258 108.800 0.105 0.000 2.440 251 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 251 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 251 G C 1.682 176.637 174.900 0.091 0.000 1.154 251 G CA 0.777 45.946 45.100 0.114 0.000 0.767 251 G HN 0.542 nan 8.290 nan 0.000 0.552 252 A N 0.601 123.480 122.820 0.098 0.000 1.930 252 A HA 0.313 4.634 4.320 0.000 0.000 0.215 252 A C 2.680 180.283 177.584 0.033 0.000 1.176 252 A CA 1.699 53.775 52.037 0.065 0.000 0.632 252 A CB -0.890 18.154 19.000 0.072 0.000 0.819 252 A HN 0.489 nan 8.150 nan 0.000 0.445 253 G N 0.280 109.098 108.800 0.029 0.000 2.446 253 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 253 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 253 G C 1.542 176.419 174.900 -0.038 0.000 1.168 253 G CA 1.158 46.258 45.100 0.000 0.000 0.771 253 G HN 0.417 nan 8.290 nan 0.000 0.551 254 L N 0.652 121.859 121.223 -0.027 0.000 2.083 254 L HA -0.070 4.270 4.340 0.000 0.000 0.209 254 L C 3.400 180.240 176.870 -0.050 0.000 1.083 254 L CA 0.959 55.772 54.840 -0.044 0.000 0.752 254 L CB -0.339 41.708 42.059 -0.020 0.000 0.899 254 L HN 0.326 nan 8.230 nan 0.000 0.433 255 A N -0.077 122.729 122.820 -0.024 0.000 1.930 255 A HA -0.234 4.086 4.320 0.000 0.000 0.217 255 A C 2.333 179.891 177.584 -0.044 0.000 1.175 255 A CA 1.652 53.675 52.037 -0.024 0.000 0.627 255 A CB -0.411 18.589 19.000 -0.000 0.000 0.815 255 A HN 0.265 nan 8.150 nan 0.000 0.443 256 R N 0.141 120.610 120.500 -0.051 0.000 2.075 256 R HA 0.032 4.372 4.340 0.000 0.000 0.232 256 R C 1.878 178.076 176.300 -0.170 0.000 1.126 256 R CA 1.473 57.532 56.100 -0.067 0.000 0.963 256 R CB -0.831 29.453 30.300 -0.027 0.000 0.858 256 R HN 0.519 nan 8.270 nan 0.000 0.435 257 L N -0.481 120.597 121.223 -0.242 0.000 2.042 257 L HA -0.176 4.164 4.340 0.000 0.000 0.210 257 L C 2.283 179.042 176.870 -0.184 0.000 1.076 257 L CA 1.184 55.827 54.840 -0.328 0.000 0.749 257 L CB -0.580 41.318 42.059 -0.270 0.000 0.893 257 L HN 0.046 nan 8.230 nan 0.000 0.432 258 V N 0.034 119.880 119.914 -0.114 0.000 2.295 258 V HA -0.316 3.804 4.120 0.000 0.000 0.246 258 V C 2.723 178.782 176.094 -0.058 0.000 1.049 258 V CA 2.089 64.346 62.300 -0.072 0.000 1.024 258 V CB -0.687 31.106 31.823 -0.050 0.000 0.648 258 V HN 0.493 nan 8.190 nan 0.000 0.447 259 R N 0.406 120.873 120.500 -0.055 0.000 2.091 259 R HA -0.201 4.139 4.340 0.000 0.000 0.238 259 R C 2.249 178.536 176.300 -0.021 0.000 1.136 259 R CA 1.845 57.925 56.100 -0.033 0.000 0.959 259 R CB -0.482 29.805 30.300 -0.023 0.000 0.856 259 R HN 0.474 nan 8.270 nan 0.000 0.437 260 A N 1.051 123.849 122.820 -0.037 0.000 1.940 260 A HA -0.139 4.181 4.320 0.000 0.000 0.219 260 A C 2.158 179.741 177.584 -0.002 0.000 1.176 260 A CA 1.540 53.578 52.037 0.003 0.000 0.631 260 A CB -0.433 18.544 19.000 -0.037 0.000 0.814 260 A HN 0.400 nan 8.150 nan 0.000 0.446 261 I N -1.074 119.477 120.570 -0.031 0.000 2.233 261 I HA -0.179 3.991 4.170 0.000 0.000 0.243 261 I C 2.075 178.187 176.117 -0.009 0.000 1.093 261 I CA 0.697 61.986 61.300 -0.019 0.000 1.380 261 I CB -0.260 37.721 38.000 -0.031 0.000 1.067 261 I HN 0.191 nan 8.210 nan 0.000 0.413 262 L N 0.451 121.665 121.223 -0.014 0.000 2.201 262 L HA -0.139 4.201 4.340 0.000 0.000 0.212 262 L C 2.397 179.266 176.870 -0.002 0.000 1.105 262 L CA 1.993 56.828 54.840 -0.009 0.000 0.775 262 L CB -1.192 40.859 42.059 -0.014 0.000 0.913 262 L HN 0.404 nan 8.230 nan 0.000 0.440 263 T N -5.058 109.497 114.554 0.002 0.000 3.145 263 T HA 0.103 4.453 4.350 0.000 0.000 0.255 263 T C 0.635 175.343 174.700 0.014 0.000 1.039 263 T CA 0.001 62.105 62.100 0.008 0.000 0.928 263 T CB -0.449 68.425 68.868 0.010 0.000 1.029 263 T HN 0.200 nan 8.240 nan 0.000 0.554 264 D N 1.864 122.272 120.400 0.015 0.000 2.810 264 D HA -0.214 4.426 4.640 0.000 0.000 0.224 264 D C 0.792 177.109 176.300 0.029 0.000 1.222 264 D CA 0.915 54.927 54.000 0.020 0.000 0.698 264 D CB -1.063 39.747 40.800 0.015 0.000 0.961 264 D HN 0.771 nan 8.370 nan 0.000 0.403 265 E N 1.231 121.457 120.200 0.043 0.000 2.152 265 E HA -0.156 4.195 4.350 0.000 0.000 0.192 265 E C 0.583 177.219 176.600 0.060 0.000 0.983 265 E CA 0.927 57.361 56.400 0.058 0.000 0.818 265 E CB 0.062 29.817 29.700 0.092 0.000 0.758 265 E HN 0.478 nan 8.360 nan 0.000 0.467 266 K N 0.074 120.515 120.400 0.069 0.000 3.035 266 K HA -0.171 4.150 4.320 0.000 0.000 0.262 266 K C 0.107 176.742 176.600 0.058 0.000 1.024 266 K CA 0.179 56.502 56.287 0.060 0.000 0.748 266 K CB -2.016 30.503 32.500 0.032 0.000 1.247 266 K HN 0.318 nan 8.250 nan 0.000 0.482 267 G N 0.062 108.930 108.800 0.112 0.000 2.572 267 G HA2 0.444 4.404 3.960 0.000 0.000 0.261 267 G HA3 0.444 4.404 3.960 0.000 0.000 0.261 267 G C -0.100 174.772 174.900 -0.048 0.000 1.197 267 G CA -0.665 44.445 45.100 0.017 0.000 0.870 267 G HN 0.064 nan 8.290 nan 0.000 0.548 268 V N 0.976 120.722 119.914 -0.279 0.000 2.394 268 V HA 0.462 4.582 4.120 0.000 0.000 0.282 268 V C -0.936 174.913 176.094 -0.409 0.000 1.031 268 V CA -0.256 61.930 62.300 -0.190 0.000 0.881 268 V CB 0.298 32.080 31.823 -0.069 0.000 0.982 268 V HN 0.591 nan 8.190 nan 0.000 0.451 269 Y N 1.085 121.401 120.300 0.027 0.000 2.534 269 Y HA 0.419 4.969 4.550 -0.000 0.000 0.345 269 Y C 0.627 176.524 175.900 -0.005 0.000 1.031 269 Y CA -1.100 57.017 58.100 0.029 0.000 1.022 269 Y CB 2.162 40.627 38.460 0.008 0.000 1.292 269 Y HN 0.606 nan 8.280 nan 0.000 0.459 270 T N 0.513 115.170 114.554 0.171 0.000 3.414 270 T HA 0.507 4.857 4.350 0.000 0.000 0.304 270 T C -0.246 174.486 174.700 0.053 0.000 1.241 270 T CA -0.482 61.653 62.100 0.058 0.000 1.076 270 T CB -1.453 67.458 68.868 0.073 0.000 1.134 270 T HN 0.503 nan 8.240 nan 0.000 0.759 271 V N -0.334 119.601 119.914 0.035 0.000 3.019 271 V HA 0.824 4.944 4.120 0.000 0.000 0.317 271 V C 0.196 176.284 176.094 -0.009 0.000 1.094 271 V CA -1.203 61.101 62.300 0.007 0.000 1.000 271 V CB 1.709 33.532 31.823 0.001 0.000 1.060 271 V HN 0.559 nan 8.190 nan 0.000 0.443 272 S N 0.992 116.687 115.700 -0.009 0.000 2.525 272 S HA 0.838 5.308 4.470 0.000 0.000 0.278 272 S C -0.176 174.426 174.600 0.004 0.000 1.234 272 S CA 0.325 58.524 58.200 -0.003 0.000 1.058 272 S CB 0.475 63.681 63.200 0.009 0.000 0.983 272 S HN 1.873 nan 8.310 nan 0.000 0.495 273 A N 3.592 126.408 122.820 -0.006 0.000 2.606 273 A HA 0.641 4.961 4.320 0.000 0.000 0.293 273 A C -1.056 176.515 177.584 -0.022 0.000 1.082 273 A CA -0.801 51.237 52.037 0.002 0.000 0.685 273 A CB 0.594 19.590 19.000 -0.006 0.000 1.284 273 A HN 0.866 nan 8.150 nan 0.000 0.408 274 F N 1.975 121.788 119.950 -0.227 0.000 2.571 274 F HA 0.425 4.952 4.527 -0.000 0.000 0.384 274 F C 0.276 175.938 175.800 -0.230 0.000 1.058 274 F CA 1.210 59.009 58.000 -0.334 0.000 1.200 274 F CB 0.514 38.968 39.000 -0.909 0.000 1.077 274 F HN 0.426 nan 8.300 nan 0.000 0.558 275 T N 8.712 122.853 114.554 -0.689 0.000 2.812 275 T HA 0.256 4.606 4.350 0.000 0.000 0.282 275 T C -1.875 172.484 174.700 -0.569 0.000 0.990 275 T CA -1.101 60.740 62.100 -0.431 0.000 0.960 275 T CB 1.877 70.609 68.868 -0.226 0.000 0.948 275 T HN 0.318 nan 8.240 nan 0.000 0.438 276 P HA -0.067 nan 4.420 nan 0.000 0.215 276 P C 0.289 177.487 177.300 -0.170 0.000 1.157 276 P CA 1.145 64.124 63.100 -0.202 0.000 0.868 276 P CB 0.396 32.069 31.700 -0.045 0.000 0.788 277 E N -0.759 119.365 120.200 -0.126 0.000 2.321 277 E HA 0.359 4.709 4.350 0.000 0.000 0.281 277 E C -2.034 174.520 176.600 -0.077 0.000 0.910 277 E CA -0.821 55.520 56.400 -0.098 0.000 0.770 277 E CB 2.293 31.951 29.700 -0.072 0.000 1.225 277 E HN -0.185 nan 8.360 nan 0.000 0.417 278 V N 4.343 124.215 119.914 -0.070 0.000 2.482 278 V HA 0.373 4.493 4.120 0.000 0.000 0.295 278 V C -0.449 175.620 176.094 -0.042 0.000 1.026 278 V CA -0.254 62.020 62.300 -0.043 0.000 0.856 278 V CB 1.262 33.068 31.823 -0.030 0.000 1.001 278 V HN 0.824 nan 8.190 nan 0.000 0.424 279 E N 4.554 124.728 120.200 -0.043 0.000 2.440 279 E HA -0.256 4.095 4.350 0.000 0.000 0.246 279 E C 1.180 177.757 176.600 -0.039 0.000 1.165 279 E CA 1.500 57.878 56.400 -0.037 0.000 0.726 279 E CB -1.553 28.134 29.700 -0.022 0.000 1.271 279 E HN 1.963 nan 8.360 nan 0.000 0.397 280 G N -2.156 106.616 108.800 -0.048 0.000 2.268 280 G HA2 -0.383 3.578 3.960 0.000 0.000 0.240 280 G HA3 -0.383 3.578 3.960 0.000 0.000 0.240 280 G C 0.469 175.342 174.900 -0.045 0.000 1.010 280 G CA 0.086 45.160 45.100 -0.044 0.000 0.618 280 G HN 0.437 nan 8.290 nan 0.000 0.516 281 V N 2.260 122.146 119.914 -0.046 0.000 2.637 281 V HA 0.516 4.636 4.120 0.000 0.000 0.296 281 V C 0.918 176.973 176.094 -0.066 0.000 1.046 281 V CA 0.140 62.411 62.300 -0.049 0.000 1.066 281 V CB 1.351 33.148 31.823 -0.043 0.000 0.968 281 V HN 0.386 nan 8.190 nan 0.000 0.483 282 L N 4.135 125.320 121.223 -0.062 0.000 2.325 282 L HA 0.565 4.906 4.340 0.000 0.000 0.278 282 L C 0.391 177.201 176.870 -0.100 0.000 1.023 282 L CA -0.468 54.328 54.840 -0.075 0.000 0.811 282 L CB 1.134 43.171 42.059 -0.036 0.000 1.249 282 L HN 0.774 nan 8.230 nan 0.000 0.431 286 S N 5.812 121.487 115.700 -0.043 0.000 2.437 286 S HA 0.958 5.428 4.470 0.000 0.000 0.305 286 S C -0.807 173.786 174.600 -0.012 0.000 1.109 286 S CA -0.502 57.687 58.200 -0.018 0.000 1.099 286 S CB 1.155 64.399 63.200 0.073 0.000 1.004 286 S HN 1.232 nan 8.310 nan 0.000 0.475 287 L N -0.300 120.908 121.223 -0.025 0.000 2.999 287 L HA 0.676 5.016 4.340 0.000 0.000 0.274 287 L C -0.603 176.256 176.870 -0.018 0.000 1.044 287 L CA -0.866 53.969 54.840 -0.009 0.000 0.943 287 L CB 0.745 42.797 42.059 -0.012 0.000 1.522 287 L HN 0.327 nan 8.230 nan 0.000 0.400 288 S N 1.145 116.839 115.700 -0.009 0.000 2.499 288 S HA 0.848 5.318 4.470 0.000 0.000 0.275 288 S C -0.287 174.280 174.600 -0.054 0.000 1.257 288 S CA -0.372 57.814 58.200 -0.023 0.000 1.050 288 S CB -0.057 63.141 63.200 -0.002 0.000 0.937 288 S HN 0.484 nan 8.310 nan 0.000 0.490 289 L N 3.446 124.614 121.223 -0.092 0.000 2.327 289 L HA 0.549 4.889 4.340 0.000 0.000 0.258 289 L C -2.652 174.081 176.870 -0.227 0.000 1.024 289 L CA -3.075 51.666 54.840 -0.165 0.000 0.825 289 L CB 1.682 43.646 42.059 -0.159 0.000 1.386 289 L HN 0.291 nan 8.230 nan 0.000 0.417 290 P HA 0.202 nan 4.420 nan 0.000 0.266 290 P C -1.275 175.880 177.300 -0.241 0.000 1.215 290 P CA 0.115 62.978 63.100 -0.394 0.000 0.763 290 P CB 0.383 31.670 31.700 -0.689 0.000 0.806 291 R N 2.930 123.364 120.500 -0.110 0.000 2.725 291 R HA 0.534 4.874 4.340 0.000 0.000 0.277 291 R C -0.398 175.907 176.300 0.008 0.000 0.987 291 R CA -1.008 55.050 56.100 -0.070 0.000 0.901 291 R CB 1.981 32.255 30.300 -0.043 0.000 1.207 291 R HN 0.399 nan 8.270 nan 0.000 0.463 292 I N 3.289 123.857 120.570 -0.004 0.000 2.337 292 I HA 0.121 4.291 4.170 0.000 0.000 0.291 292 I C -0.531 175.627 176.117 0.067 0.000 1.046 292 I CA -0.495 60.824 61.300 0.032 0.000 1.324 292 I CB 0.766 38.770 38.000 0.005 0.000 1.409 292 I HN 0.203 nan 8.210 nan 0.000 0.494 293 L N 7.572 128.875 121.223 0.132 0.000 2.280 293 L HA 0.786 5.126 4.340 0.000 0.000 0.287 293 L C 0.067 176.988 176.870 0.085 0.000 1.023 293 L CA 0.349 55.256 54.840 0.111 0.000 0.819 293 L CB 0.966 43.106 42.059 0.135 0.000 1.212 293 L HN 0.629 nan 8.230 nan 0.000 0.420 294 G N 2.448 111.275 108.800 0.046 0.000 3.135 294 G HA2 0.548 4.508 3.960 0.000 0.000 0.278 294 G HA3 0.548 4.508 3.960 0.000 0.000 0.278 294 G C 0.319 175.231 174.900 0.019 0.000 1.302 294 G CA -0.085 45.036 45.100 0.035 0.000 0.880 294 G HN 0.746 nan 8.290 nan 0.000 0.574 295 A N -0.995 121.834 122.820 0.016 0.000 2.024 295 A HA 0.181 4.501 4.320 0.000 0.000 0.220 295 A C 2.143 179.733 177.584 0.010 0.000 1.164 295 A CA 2.337 54.380 52.037 0.010 0.000 0.643 295 A CB -0.635 18.371 19.000 0.010 0.000 0.806 295 A HN 1.370 nan 8.150 nan 0.000 0.451 296 G N -1.997 106.811 108.800 0.014 0.000 3.284 296 G HA2 0.478 4.438 3.960 0.000 0.000 0.236 296 G HA3 0.478 4.438 3.960 0.000 0.000 0.236 296 G C 0.883 175.794 174.900 0.019 0.000 1.158 296 G CA 0.575 45.684 45.100 0.016 0.000 0.774 296 G HN 1.536 nan 8.290 nan 0.000 0.545 297 G N -0.530 108.279 108.800 0.015 0.000 2.484 297 G HA2 -0.005 3.955 3.960 0.000 0.000 0.225 297 G HA3 -0.005 3.955 3.960 0.000 0.000 0.225 297 G C 0.165 175.078 174.900 0.022 0.000 1.250 297 G CA 0.056 45.165 45.100 0.016 0.000 0.926 297 G HN 1.349 nan 8.290 nan 0.000 0.581 298 V N -0.236 119.692 119.914 0.023 0.000 2.614 298 V HA 0.679 4.799 4.120 0.000 0.000 0.291 298 V C 0.354 176.460 176.094 0.020 0.000 1.049 298 V CA 0.807 63.119 62.300 0.021 0.000 1.038 298 V CB 0.771 32.601 31.823 0.011 0.000 0.980 298 V HN 1.378 nan 8.190 nan 0.000 0.481 302 T N 0.261 114.702 114.554 -0.188 0.000 2.848 302 T HA 0.582 4.932 4.350 0.000 0.000 0.285 302 T C -0.567 173.777 174.700 -0.594 0.000 0.995 302 T CA -0.503 61.355 62.100 -0.404 0.000 0.970 302 T CB 1.978 70.540 68.868 -0.510 0.000 0.976 302 T HN 0.610 nan 8.240 nan 0.000 0.441 303 V N 4.112 123.709 119.914 -0.528 0.000 2.313 303 V HA 0.326 4.446 4.120 0.000 0.000 0.278 303 V C -1.116 174.731 176.094 -0.411 0.000 1.017 303 V CA -0.956 61.118 62.300 -0.377 0.000 0.823 303 V CB -0.043 31.685 31.823 -0.158 0.000 1.010 303 V HN 0.822 nan 8.190 nan 0.000 0.443 304 Y N 6.546 126.820 120.300 -0.043 0.000 2.452 304 Y HA 0.478 5.028 4.550 0.001 0.000 0.348 304 Y C -1.338 174.559 175.900 -0.005 0.000 0.985 304 Y CA -2.576 55.498 58.100 -0.042 0.000 1.214 304 Y CB 0.158 38.599 38.460 -0.031 0.000 1.136 304 Y HN 0.471 nan 8.280 nan 0.000 0.523 305 P HA 0.187 nan 4.420 nan 0.000 0.277 305 P C -0.540 176.845 177.300 0.141 0.000 1.240 305 P CA -0.556 62.640 63.100 0.160 0.000 0.798 305 P CB 1.251 33.090 31.700 0.231 0.000 0.979 306 S N 1.122 116.897 115.700 0.126 0.000 2.573 306 S HA 0.114 4.584 4.470 0.000 0.000 0.297 306 S C 0.413 175.076 174.600 0.105 0.000 1.280 306 S CA -0.012 58.247 58.200 0.098 0.000 1.061 306 S CB -0.314 62.938 63.200 0.085 0.000 0.812 306 S HN 0.290 nan 8.310 nan 0.000 0.500 307 L N 2.203 123.476 121.223 0.083 0.000 2.370 307 L HA 0.498 4.838 4.340 0.000 0.000 0.266 307 L C 0.371 177.283 176.870 0.070 0.000 1.002 307 L CA -0.778 54.112 54.840 0.083 0.000 0.818 307 L CB 2.192 44.293 42.059 0.070 0.000 1.325 307 L HN 0.734 nan 8.230 nan 0.000 0.418 308 S N 1.039 116.786 115.700 0.078 0.000 2.610 308 S HA 0.369 4.839 4.470 0.000 0.000 0.273 308 S C -1.991 172.639 174.600 0.049 0.000 1.274 308 S CA -1.114 57.125 58.200 0.065 0.000 1.023 308 S CB 1.506 64.752 63.200 0.078 0.000 0.962 308 S HN 0.409 nan 8.310 nan 0.000 0.523 309 P HA -0.172 nan 4.420 nan 0.000 0.218 309 P C 0.929 178.245 177.300 0.027 0.000 1.152 309 P CA 1.555 64.670 63.100 0.025 0.000 0.857 309 P CB 0.042 31.754 31.700 0.019 0.000 0.787 310 E N -0.572 119.648 120.200 0.034 0.000 2.046 310 E HA -0.140 4.210 4.350 0.000 0.000 0.190 310 E C 1.998 178.623 176.600 0.041 0.000 0.982 310 E CA 1.141 57.560 56.400 0.033 0.000 0.800 310 E CB -0.762 28.959 29.700 0.035 0.000 0.756 310 E HN 0.388 nan 8.360 nan 0.000 0.449 311 E N 0.311 120.546 120.200 0.059 0.000 2.077 311 E HA -0.143 4.207 4.350 0.000 0.000 0.193 311 E C 2.141 178.769 176.600 0.046 0.000 0.989 311 E CA 0.753 57.193 56.400 0.066 0.000 0.800 311 E CB -0.055 29.701 29.700 0.093 0.000 0.746 311 E HN 0.051 nan 8.360 nan 0.000 0.452 312 R N 0.772 121.296 120.500 0.040 0.000 2.096 312 R HA -0.201 4.139 4.340 0.000 0.000 0.235 312 R C 2.174 178.484 176.300 0.017 0.000 1.127 312 R CA 1.610 57.727 56.100 0.027 0.000 0.968 312 R CB 0.049 30.363 30.300 0.022 0.000 0.861 312 R HN 0.009 nan 8.270 nan 0.000 0.440 313 E N 0.036 120.246 120.200 0.016 0.000 2.158 313 E HA -0.034 4.316 4.350 0.000 0.000 0.191 313 E C 1.553 178.158 176.600 0.009 0.000 0.982 313 E CA 1.320 57.725 56.400 0.009 0.000 0.823 313 E CB -0.051 29.654 29.700 0.008 0.000 0.766 313 E HN 0.375 nan 8.360 nan 0.000 0.468 314 A N 0.514 123.343 122.820 0.015 0.000 1.930 314 A HA -0.079 4.241 4.320 0.000 0.000 0.217 314 A C 2.126 179.717 177.584 0.011 0.000 1.175 314 A CA 1.388 53.433 52.037 0.013 0.000 0.627 314 A CB -0.675 18.337 19.000 0.022 0.000 0.815 314 A HN 0.384 nan 8.150 nan 0.000 0.443 315 L N -0.006 121.226 121.223 0.014 0.000 2.027 315 L HA -0.071 4.269 4.340 0.000 0.000 0.206 315 L C 2.444 179.315 176.870 0.002 0.000 1.074 315 L CA 2.283 57.129 54.840 0.010 0.000 0.745 315 L CB -0.693 41.376 42.059 0.016 0.000 0.898 315 L HN 0.479 nan 8.230 nan 0.000 0.433 316 R N -0.443 120.057 120.500 0.000 0.000 2.096 316 R HA -0.227 4.113 4.340 0.000 0.000 0.240 316 R C 2.522 178.817 176.300 -0.007 0.000 1.139 316 R CA 1.830 57.925 56.100 -0.007 0.000 0.952 316 R CB -0.462 29.834 30.300 -0.008 0.000 0.854 316 R HN 0.344 nan 8.270 nan 0.000 0.436 317 R N 0.136 120.634 120.500 -0.004 0.000 2.115 317 R HA -0.053 4.287 4.340 0.000 0.000 0.226 317 R C 2.196 178.495 176.300 -0.002 0.000 1.100 317 R CA 1.591 57.689 56.100 -0.004 0.000 0.980 317 R CB -0.444 29.855 30.300 -0.002 0.000 0.875 317 R HN 0.218 nan 8.270 nan 0.000 0.445 318 S N 0.237 115.937 115.700 -0.001 0.000 2.348 318 S HA -0.123 4.348 4.470 0.000 0.000 0.221 318 S C 2.014 176.614 174.600 -0.000 0.000 1.033 318 S CA 1.398 59.598 58.200 -0.000 0.000 1.010 318 S CB -0.254 62.947 63.200 0.001 0.000 0.891 318 S HN 0.522 nan 8.310 nan 0.000 0.442 319 A N 0.956 123.773 122.820 -0.005 0.000 1.892 319 A HA -0.189 4.132 4.320 0.000 0.000 0.218 319 A C 2.014 179.595 177.584 -0.006 0.000 1.188 319 A CA 2.288 54.319 52.037 -0.011 0.000 0.631 319 A CB -0.973 18.014 19.000 -0.021 0.000 0.822 319 A HN 0.612 nan 8.150 nan 0.000 0.447 320 E N -0.336 119.860 120.200 -0.006 0.000 2.274 320 E HA 0.005 4.355 4.350 0.000 0.000 0.194 320 E C 1.713 178.318 176.600 0.009 0.000 0.996 320 E CA 1.169 57.567 56.400 -0.003 0.000 0.840 320 E CB -0.549 29.144 29.700 -0.011 0.000 0.772 320 E HN 0.585 nan 8.360 nan 0.000 0.491 321 I N -0.316 120.261 120.570 0.011 0.000 2.500 321 I HA 0.008 4.178 4.170 0.000 0.000 0.252 321 I C 2.322 178.458 176.117 0.032 0.000 1.142 321 I CA 1.046 62.357 61.300 0.019 0.000 1.451 321 I CB -0.907 37.100 38.000 0.012 0.000 1.093 321 I HN 0.184 nan 8.210 nan 0.000 0.430 322 L N -0.259 120.981 121.223 0.029 0.000 2.056 322 L HA -0.158 4.182 4.340 0.000 0.000 0.207 322 L C 2.772 179.682 176.870 0.066 0.000 1.078 322 L CA 1.851 56.716 54.840 0.042 0.000 0.749 322 L CB -0.498 41.579 42.059 0.030 0.000 0.901 322 L HN 0.495 nan 8.230 nan 0.000 0.433 323 K N 0.819 121.251 120.400 0.054 0.000 2.032 323 K HA -0.208 4.112 4.320 0.000 0.000 0.209 323 K C 1.866 178.539 176.600 0.122 0.000 1.048 323 K CA 1.686 58.018 56.287 0.075 0.000 0.927 323 K CB -0.166 32.350 32.500 0.027 0.000 0.712 323 K HN 0.302 nan 8.250 nan 0.000 0.441 324 E N -0.356 119.899 120.200 0.093 0.000 2.031 324 E HA -0.181 4.169 4.350 0.000 0.000 0.193 324 E C 2.023 178.726 176.600 0.171 0.000 0.994 324 E CA 1.190 57.668 56.400 0.130 0.000 0.800 324 E CB -0.297 29.451 29.700 0.080 0.000 0.752 324 E HN 0.437 nan 8.360 nan 0.000 0.447 325 A N 1.571 124.462 122.820 0.118 0.000 1.940 325 A HA -0.162 4.159 4.320 0.000 0.000 0.219 325 A C 2.373 180.037 177.584 0.133 0.000 1.176 325 A CA 1.902 54.000 52.037 0.103 0.000 0.631 325 A CB -0.571 18.468 19.000 0.066 0.000 0.814 325 A HN 0.301 nan 8.150 nan 0.000 0.446 326 A N -1.322 121.600 122.820 0.169 0.000 1.872 326 A HA 0.058 4.378 4.320 0.000 0.000 0.214 326 A C 2.046 179.792 177.584 0.270 0.000 1.187 326 A CA 1.429 53.601 52.037 0.224 0.000 0.614 326 A CB -0.723 18.420 19.000 0.239 0.000 0.826 326 A HN 0.673 nan 8.150 nan 0.000 0.442 327 F N 1.280 121.306 119.950 0.127 0.000 2.126 327 F HA -0.110 4.417 4.527 0.000 0.000 0.299 327 F C 2.446 178.284 175.800 0.064 0.000 1.096 327 F CA 1.299 59.353 58.000 0.091 0.000 1.255 327 F CB -0.380 38.658 39.000 0.064 0.000 0.997 327 F HN 0.233 nan 8.300 nan 0.000 0.479 328 A N -0.039 122.853 122.820 0.119 0.000 2.019 328 A HA -0.162 4.158 4.320 0.000 0.000 0.219 328 A C 2.036 179.588 177.584 -0.055 0.000 1.164 328 A CA 1.684 53.726 52.037 0.008 0.000 0.644 328 A CB -1.077 17.981 19.000 0.096 0.000 0.805 328 A HN 0.508 nan 8.150 nan 0.000 0.449 329 L N -1.643 119.597 121.223 0.028 0.000 2.341 329 L HA 0.304 4.644 4.340 0.000 0.000 0.214 329 L C 1.417 178.298 176.870 0.019 0.000 1.115 329 L CA 1.687 56.582 54.840 0.091 0.000 0.820 329 L CB 0.070 42.261 42.059 0.221 0.000 0.944 329 L HN 0.674 nan 8.230 nan 0.000 0.452 330 G N -2.406 106.295 108.800 -0.165 0.000 2.143 330 G HA2 -0.215 3.745 3.960 0.000 0.000 0.175 330 G HA3 -0.215 3.745 3.960 0.000 0.000 0.175 330 G C 0.011 174.509 174.900 -0.671 0.000 1.004 330 G CA -0.008 44.814 45.100 -0.464 0.000 0.671 330 G HN 0.226 nan 8.290 nan 0.000 0.512 331 F N 0.000 119.936 119.950 -0.024 0.000 2.286 331 F HA 0.000 4.527 4.527 0.000 0.000 0.279 331 F CA 0.000 58.044 58.000 0.073 0.000 1.383 331 F CB 0.000 39.047 39.000 0.079 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574