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 1l4l_1_A DATA FIRST_RESID 3 DATA SEQUENCE TLHALLRDIP APDAEAMART QQHIDGLLKP PGSLGRLETL AVQLAGMPGL DATA SEQUENCE NGTPQVGEKA VLVMCADHGV WDEGVAVSPK IVTAIQAANM TRGTTGVCVL DATA SEQUENCE AAQAGAKVHV IDVGIDAEPI PGVVNMRVAR GCGNIAVGPA MSRLQAEALL DATA SEQUENCE LEVSRYTcDL AQRGVTLFGV GELGMANTTP AAAMVSVFTG SDAKEVVGIG DATA SEQUENCE ANLPPSRIDN KVDVVRRAIA INQPNPRDGI DVLSKVGGFD LVGMTGVMLG DATA SEQUENCE AARcGLPVLL DGFLSYSAAL AACQIAPAVR PYLIPSHFSA EKGARIALAH DATA SEQUENCE LSMEPYLHMA MRLGEGSGAA LAMPIVEAAC AMFHNMGELA ASNIVLP 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.693 174.700 -0.011 0.000 1.109 3 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 3 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 4 L N 2.219 123.437 121.223 -0.009 0.000 2.217 4 L HA 0.237 4.578 4.340 0.001 0.000 0.211 4 L C 2.763 179.628 176.870 -0.009 0.000 1.107 4 L CA 3.251 58.085 54.840 -0.010 0.000 0.783 4 L CB -0.851 41.204 42.059 -0.007 0.000 0.919 4 L HN 0.727 nan 8.230 nan 0.000 0.442 5 H N -1.624 117.443 119.070 -0.006 0.000 2.395 5 H HA 0.251 4.807 4.556 0.001 0.000 0.299 5 H C 2.139 177.463 175.328 -0.007 0.000 1.070 5 H CA 1.500 57.545 56.048 -0.005 0.000 1.356 5 H CB -0.699 29.062 29.762 -0.002 0.000 1.401 5 H HN 0.565 nan 8.280 nan 0.000 0.524 6 A N 0.555 123.370 122.820 -0.009 0.000 1.873 6 A HA 0.089 4.410 4.320 0.001 0.000 0.215 6 A C 2.583 180.158 177.584 -0.015 0.000 1.186 6 A CA 1.707 53.738 52.037 -0.010 0.000 0.616 6 A CB -0.786 18.208 19.000 -0.011 0.000 0.823 6 A HN 0.658 nan 8.150 nan 0.000 0.442 7 L N 0.121 121.333 121.223 -0.019 0.000 1.971 7 L HA -0.202 4.139 4.340 0.001 0.000 0.215 7 L C 2.300 179.153 176.870 -0.027 0.000 1.072 7 L CA 2.179 57.002 54.840 -0.028 0.000 0.758 7 L CB -0.603 41.438 42.059 -0.031 0.000 0.889 7 L HN 0.414 nan 8.230 nan 0.000 0.433 8 L N -0.676 120.535 121.223 -0.020 0.000 2.131 8 L HA -0.187 4.153 4.340 0.001 0.000 0.210 8 L C 2.830 179.695 176.870 -0.008 0.000 1.092 8 L CA 1.566 56.397 54.840 -0.015 0.000 0.759 8 L CB -0.718 41.336 42.059 -0.008 0.000 0.903 8 L HN 0.402 nan 8.230 nan 0.000 0.435 9 R N 0.399 120.895 120.500 -0.007 0.000 2.092 9 R HA -0.142 4.199 4.340 0.001 0.000 0.231 9 R C 0.893 177.191 176.300 -0.003 0.000 1.119 9 R CA 1.527 57.626 56.100 -0.003 0.000 0.970 9 R CB -0.011 30.287 30.300 -0.003 0.000 0.864 9 R HN 0.299 nan 8.270 nan 0.000 0.440 10 D N 0.473 120.867 120.400 -0.010 0.000 2.319 10 D HA 0.096 4.737 4.640 0.001 0.000 0.230 10 D C 0.097 176.388 176.300 -0.016 0.000 1.094 10 D CA 0.208 54.200 54.000 -0.012 0.000 0.856 10 D CB 0.094 40.884 40.800 -0.018 0.000 0.915 10 D HN 0.260 nan 8.370 nan 0.000 0.517 11 I N 3.594 124.155 120.570 -0.014 0.000 2.517 11 I HA 0.047 4.218 4.170 0.001 0.000 0.285 11 I C -1.704 174.434 176.117 0.035 0.000 1.106 11 I CA -1.357 59.933 61.300 -0.017 0.000 1.402 11 I CB 0.511 38.509 38.000 -0.003 0.000 1.399 11 I HN -0.211 nan 8.210 nan 0.000 0.535 12 P HA 0.198 nan 4.420 nan 0.000 0.275 12 P C -0.679 176.730 177.300 0.181 0.000 1.228 12 P CA -0.434 62.727 63.100 0.101 0.000 0.786 12 P CB 1.062 32.817 31.700 0.091 0.000 0.927 13 A N 4.173 127.059 122.820 0.109 0.000 2.304 13 A HA 0.571 4.892 4.320 0.001 0.000 0.271 13 A C -2.119 175.503 177.584 0.062 0.000 1.091 13 A CA -1.390 50.693 52.037 0.076 0.000 0.812 13 A CB -1.213 17.808 19.000 0.035 0.000 1.056 13 A HN 0.420 nan 8.150 nan 0.000 0.489 14 P HA 0.142 nan 4.420 nan 0.000 0.272 14 P C -0.908 176.384 177.300 -0.014 0.000 1.223 14 P CA -0.140 62.928 63.100 -0.054 0.000 0.784 14 P CB 0.435 32.057 31.700 -0.131 0.000 0.923 15 D N 1.662 122.059 120.400 -0.005 0.000 2.422 15 D HA 0.198 4.839 4.640 0.001 0.000 0.227 15 D C 1.071 177.367 176.300 -0.007 0.000 1.190 15 D CA -0.214 53.788 54.000 0.003 0.000 0.905 15 D CB 0.396 41.203 40.800 0.011 0.000 1.034 15 D HN 0.268 nan 8.370 nan 0.000 0.507 16 A N 4.304 127.121 122.820 -0.005 0.000 1.972 16 A HA -0.167 4.154 4.320 0.001 0.000 0.219 16 A C 1.918 179.504 177.584 0.003 0.000 1.169 16 A CA 0.925 52.959 52.037 -0.005 0.000 0.635 16 A CB -0.274 18.724 19.000 -0.004 0.000 0.810 16 A HN 0.597 nan 8.150 nan 0.000 0.446 17 E N 0.456 120.660 120.200 0.007 0.000 2.072 17 E HA -0.125 4.226 4.350 0.001 0.000 0.191 17 E C 2.179 178.788 176.600 0.016 0.000 0.985 17 E CA 1.271 57.678 56.400 0.012 0.000 0.801 17 E CB -0.308 29.400 29.700 0.013 0.000 0.750 17 E HN 0.472 nan 8.360 nan 0.000 0.452 18 A N 0.775 123.601 122.820 0.010 0.000 1.930 18 A HA -0.115 4.206 4.320 0.001 0.000 0.217 18 A C 2.340 179.929 177.584 0.008 0.000 1.175 18 A CA 1.505 53.547 52.037 0.009 0.000 0.627 18 A CB -0.470 18.527 19.000 -0.005 0.000 0.815 18 A HN 0.272 nan 8.150 nan 0.000 0.443 19 M N -0.537 119.063 119.600 -0.000 0.000 2.175 19 M HA -0.114 4.366 4.480 0.001 0.000 0.264 19 M C 2.513 178.830 176.300 0.028 0.000 1.063 19 M CA 1.353 56.654 55.300 0.001 0.000 1.119 19 M CB -0.395 32.198 32.600 -0.011 0.000 1.377 19 M HN 0.467 nan 8.290 nan 0.000 0.415 20 A N 0.522 123.359 122.820 0.028 0.000 1.902 20 A HA -0.140 4.181 4.320 0.001 0.000 0.217 20 A C 2.179 179.798 177.584 0.059 0.000 1.181 20 A CA 1.475 53.534 52.037 0.036 0.000 0.623 20 A CB -0.572 18.444 19.000 0.026 0.000 0.818 20 A HN 0.412 nan 8.150 nan 0.000 0.443 21 R N -1.060 119.479 120.500 0.065 0.000 2.092 21 R HA -0.074 4.266 4.340 0.001 0.000 0.231 21 R C 2.252 178.650 176.300 0.164 0.000 1.119 21 R CA 1.700 57.855 56.100 0.093 0.000 0.970 21 R CB -0.611 29.736 30.300 0.079 0.000 0.864 21 R HN 0.525 nan 8.270 nan 0.000 0.440 22 T N 0.735 115.390 114.554 0.170 0.000 2.708 22 T HA -0.203 4.147 4.350 0.001 0.000 0.266 22 T C 1.711 176.588 174.700 0.296 0.000 1.037 22 T CA 1.489 63.775 62.100 0.308 0.000 1.146 22 T CB -0.180 68.752 68.868 0.107 0.000 0.865 22 T HN 0.167 nan 8.240 nan 0.000 0.435 23 Q N 1.294 121.187 119.800 0.155 0.000 2.061 23 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 23 Q C 2.620 178.675 176.000 0.091 0.000 0.984 23 Q CA 2.678 58.546 55.803 0.109 0.000 0.846 23 Q CB -0.889 27.886 28.738 0.063 0.000 0.902 23 Q HN 0.655 nan 8.270 nan 0.000 0.421 24 Q N -0.019 119.834 119.800 0.088 0.000 2.096 24 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 24 Q C 2.065 178.092 176.000 0.046 0.000 0.982 24 Q CA 1.940 57.777 55.803 0.057 0.000 0.850 24 Q CB -1.384 27.389 28.738 0.058 0.000 0.901 24 Q HN 0.804 nan 8.270 nan 0.000 0.422 25 H N -0.427 118.635 119.070 -0.014 0.000 2.357 25 H HA 0.020 4.577 4.556 0.001 0.000 0.301 25 H C 2.143 177.373 175.328 -0.164 0.000 1.082 25 H CA 1.533 57.505 56.048 -0.127 0.000 1.342 25 H CB 0.053 29.667 29.762 -0.247 0.000 1.389 25 H HN 0.528 nan 8.280 nan 0.000 0.511 26 I N 0.866 121.392 120.570 -0.073 0.000 2.226 26 I HA -0.243 3.927 4.170 0.001 0.000 0.245 26 I C 1.972 178.024 176.117 -0.108 0.000 1.100 26 I CA 1.228 62.477 61.300 -0.085 0.000 1.374 26 I CB -0.212 37.841 38.000 0.089 0.000 1.057 26 I HN 0.163 nan 8.210 nan 0.000 0.413 27 D N 0.799 121.160 120.400 -0.065 0.000 2.218 27 D HA -0.114 4.526 4.640 0.001 0.000 0.204 27 D C 2.047 178.290 176.300 -0.094 0.000 0.976 27 D CA 1.320 55.285 54.000 -0.057 0.000 0.853 27 D CB -0.308 40.476 40.800 -0.027 0.000 0.939 27 D HN 0.400 nan 8.370 nan 0.000 0.481 28 G N -0.277 108.431 108.800 -0.153 0.000 2.985 28 G HA2 0.144 4.105 3.960 0.001 0.000 0.209 28 G HA3 0.144 4.105 3.960 0.001 0.000 0.209 28 G C 0.711 175.486 174.900 -0.209 0.000 1.165 28 G CA -0.228 44.772 45.100 -0.167 0.000 0.776 28 G HN 0.159 nan 8.290 nan 0.000 0.541 29 L N 0.058 121.139 121.223 -0.238 0.000 2.472 29 L HA 0.222 4.562 4.340 0.001 0.000 0.260 29 L C 0.665 177.462 176.870 -0.122 0.000 1.209 29 L CA -1.094 53.618 54.840 -0.214 0.000 0.817 29 L CB 0.758 42.688 42.059 -0.214 0.000 1.106 29 L HN -0.089 nan 8.230 nan 0.000 0.479 30 L N 3.362 124.526 121.223 -0.098 0.000 2.450 30 L HA 0.057 4.398 4.340 0.001 0.000 0.256 30 L C 0.043 176.884 176.870 -0.048 0.000 1.374 30 L CA 0.860 55.662 54.840 -0.063 0.000 1.210 30 L CB -1.917 40.111 42.059 -0.051 0.000 1.394 30 L HN 0.621 nan 8.230 nan 0.000 0.438 31 K N 1.420 121.792 120.400 -0.047 0.000 2.685 31 K HA 0.526 4.846 4.320 0.001 0.000 0.290 31 K C -3.109 173.473 176.600 -0.031 0.000 1.018 31 K CA -1.662 54.605 56.287 -0.034 0.000 0.860 31 K CB 0.397 32.879 32.500 -0.031 0.000 1.498 31 K HN -0.234 nan 8.250 nan 0.000 0.390 32 P HA 0.209 nan 4.420 nan 0.000 0.271 32 P C -2.522 174.767 177.300 -0.018 0.000 1.216 32 P CA -0.894 62.194 63.100 -0.018 0.000 0.771 32 P CB -0.001 31.692 31.700 -0.012 0.000 0.864 33 P HA -0.015 nan 4.420 nan 0.000 0.262 33 P C 1.051 178.347 177.300 -0.007 0.000 1.182 33 P CA 1.452 64.542 63.100 -0.016 0.000 0.761 33 P CB 0.089 31.780 31.700 -0.015 0.000 0.795 34 G N 2.801 111.599 108.800 -0.003 0.000 2.189 34 G HA2 -0.340 3.621 3.960 0.001 0.000 0.267 34 G HA3 -0.340 3.621 3.960 0.001 0.000 0.267 34 G C 1.280 176.184 174.900 0.006 0.000 0.975 34 G CA 0.722 45.825 45.100 0.005 0.000 0.644 34 G HN 0.586 nan 8.290 nan 0.000 0.537 35 S N -0.562 115.138 115.700 0.000 0.000 2.442 35 S HA 0.145 4.616 4.470 0.001 0.000 0.236 35 S C 1.904 176.508 174.600 0.005 0.000 1.007 35 S CA 1.247 59.447 58.200 0.001 0.000 0.965 35 S CB -0.102 63.096 63.200 -0.004 0.000 0.773 35 S HN 0.509 nan 8.310 nan 0.000 0.504 36 L N 1.538 122.765 121.223 0.007 0.000 2.629 36 L HA 0.286 4.626 4.340 0.001 0.000 0.230 36 L C 1.959 178.841 176.870 0.019 0.000 1.151 36 L CA 0.008 54.855 54.840 0.011 0.000 0.924 36 L CB -1.074 40.991 42.059 0.010 0.000 1.137 36 L HN 0.562 nan 8.230 nan 0.000 0.457 37 G N 1.208 110.022 108.800 0.023 0.000 2.686 37 G HA2 -0.435 3.526 3.960 0.001 0.000 0.359 37 G HA3 -0.435 3.526 3.960 0.001 0.000 0.359 37 G C 1.197 176.126 174.900 0.049 0.000 1.222 37 G CA 0.735 45.856 45.100 0.035 0.000 0.956 37 G HN 0.386 nan 8.290 nan 0.000 0.565 38 R N -0.232 120.312 120.500 0.072 0.000 2.241 38 R HA 0.027 4.368 4.340 0.001 0.000 0.224 38 R C 2.623 178.960 176.300 0.061 0.000 1.101 38 R CA 1.165 57.334 56.100 0.115 0.000 0.995 38 R CB -0.407 30.029 30.300 0.227 0.000 0.870 38 R HN 0.364 nan 8.270 nan 0.000 0.463 39 L N 1.416 122.647 121.223 0.012 0.000 2.156 39 L HA -0.096 4.245 4.340 0.001 0.000 0.208 39 L C 1.878 178.757 176.870 0.016 0.000 1.095 39 L CA 1.678 56.505 54.840 -0.023 0.000 0.770 39 L CB -0.181 41.866 42.059 -0.020 0.000 0.914 39 L HN 0.107 nan 8.230 nan 0.000 0.439 40 E N -1.286 118.936 120.200 0.036 0.000 2.046 40 E HA -0.180 4.170 4.350 0.001 0.000 0.190 40 E C 1.994 178.625 176.600 0.051 0.000 0.982 40 E CA 1.666 58.098 56.400 0.053 0.000 0.800 40 E CB -0.302 29.426 29.700 0.047 0.000 0.756 40 E HN 0.625 nan 8.360 nan 0.000 0.449 41 T N 0.669 115.253 114.554 0.050 0.000 2.788 41 T HA -0.163 4.187 4.350 0.001 0.000 0.268 41 T C 2.004 176.732 174.700 0.047 0.000 1.044 41 T CA 0.877 63.007 62.100 0.049 0.000 1.139 41 T CB -0.287 68.617 68.868 0.061 0.000 0.867 41 T HN 0.022 nan 8.240 nan 0.000 0.454 42 L N 2.060 123.316 121.223 0.056 0.000 2.017 42 L HA 0.244 4.585 4.340 0.001 0.000 0.208 42 L C 2.862 179.732 176.870 0.001 0.000 1.073 42 L CA 1.834 56.701 54.840 0.046 0.000 0.745 42 L CB -1.409 40.655 42.059 0.007 0.000 0.894 42 L HN 0.356 nan 8.230 nan 0.000 0.432 43 A N -1.236 121.578 122.820 -0.009 0.000 1.933 43 A HA -0.136 4.184 4.320 0.001 0.000 0.218 43 A C 2.259 179.780 177.584 -0.105 0.000 1.175 43 A CA 1.948 53.947 52.037 -0.063 0.000 0.628 43 A CB -1.025 17.975 19.000 -0.000 0.000 0.814 43 A HN 0.331 nan 8.150 nan 0.000 0.444 44 V N -0.188 119.705 119.914 -0.035 0.000 2.379 44 V HA -0.276 3.845 4.120 0.001 0.000 0.245 44 V C 2.671 178.734 176.094 -0.052 0.000 1.044 44 V CA 2.128 64.407 62.300 -0.036 0.000 1.036 44 V CB -0.744 31.084 31.823 0.009 0.000 0.664 44 V HN 0.767 nan 8.190 nan 0.000 0.453 45 Q N -0.111 119.667 119.800 -0.036 0.000 2.061 45 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 45 Q C 2.281 178.245 176.000 -0.060 0.000 0.984 45 Q CA 2.028 57.803 55.803 -0.047 0.000 0.846 45 Q CB -0.199 28.528 28.738 -0.019 0.000 0.902 45 Q HN 0.602 nan 8.270 nan 0.000 0.421 46 L N 0.209 121.401 121.223 -0.053 0.000 2.079 46 L HA -0.190 4.150 4.340 0.001 0.000 0.210 46 L C 2.581 179.405 176.870 -0.076 0.000 1.081 46 L CA 1.035 55.845 54.840 -0.050 0.000 0.752 46 L CB -0.634 41.388 42.059 -0.061 0.000 0.896 46 L HN 0.303 nan 8.230 nan 0.000 0.433 47 A N 0.185 122.928 122.820 -0.128 0.000 2.019 47 A HA -0.112 4.208 4.320 0.001 0.000 0.219 47 A C 2.274 179.817 177.584 -0.068 0.000 1.164 47 A CA 1.622 53.576 52.037 -0.138 0.000 0.644 47 A CB -0.980 17.908 19.000 -0.187 0.000 0.805 47 A HN 0.463 nan 8.150 nan 0.000 0.449 48 G N -1.298 107.467 108.800 -0.060 0.000 2.813 48 G HA2 0.244 4.204 3.960 0.001 0.000 0.209 48 G HA3 0.244 4.204 3.960 0.001 0.000 0.209 48 G C 0.622 175.509 174.900 -0.021 0.000 1.150 48 G CA -0.216 44.857 45.100 -0.046 0.000 0.785 48 G HN 0.469 nan 8.290 nan 0.000 0.535 49 M N 1.106 120.713 119.600 0.011 0.000 2.156 49 M HA 0.205 4.686 4.480 0.001 0.000 0.345 49 M C -1.662 174.719 176.300 0.135 0.000 1.398 49 M CA -1.662 53.724 55.300 0.143 0.000 1.148 49 M CB 1.816 34.535 32.600 0.200 0.000 1.663 49 M HN -0.156 nan 8.290 nan 0.000 0.464 50 P HA -0.187 nan 4.420 nan 0.000 0.218 50 P C 1.361 178.699 177.300 0.064 0.000 1.152 50 P CA 1.464 64.618 63.100 0.090 0.000 0.857 50 P CB 0.059 31.815 31.700 0.092 0.000 0.787 51 G N -1.053 107.792 108.800 0.075 0.000 2.559 51 G HA2 -0.154 3.806 3.960 0.001 0.000 0.216 51 G HA3 -0.154 3.806 3.960 0.001 0.000 0.216 51 G C 1.114 176.036 174.900 0.037 0.000 1.126 51 G CA 0.210 45.338 45.100 0.047 0.000 0.778 51 G HN 0.275 nan 8.290 nan 0.000 0.543 52 L N 0.066 121.314 121.223 0.042 0.000 2.628 52 L HA 0.162 4.503 4.340 0.001 0.000 0.229 52 L C 0.271 177.145 176.870 0.007 0.000 1.137 52 L CA -0.310 54.542 54.840 0.019 0.000 0.909 52 L CB -0.280 41.787 42.059 0.014 0.000 1.137 52 L HN 0.110 nan 8.230 nan 0.000 0.470 53 N N 0.968 119.675 118.700 0.013 0.000 2.738 53 N HA -0.193 4.547 4.740 0.001 0.000 0.249 53 N C 1.083 176.597 175.510 0.006 0.000 1.047 53 N CA 0.958 54.014 53.050 0.010 0.000 0.707 53 N CB -1.721 36.770 38.487 0.007 0.000 0.937 53 N HN 0.573 nan 8.380 nan 0.000 0.545 54 G N -1.681 107.119 108.800 0.000 0.000 2.187 54 G HA2 -0.318 3.643 3.960 0.001 0.000 0.261 54 G HA3 -0.318 3.643 3.960 0.001 0.000 0.261 54 G C 0.137 175.012 174.900 -0.041 0.000 1.000 54 G CA 1.356 46.450 45.100 -0.011 0.000 0.718 54 G HN 1.053 nan 8.290 nan 0.000 0.519 55 T N 0.071 114.587 114.554 -0.064 0.000 2.932 55 T HA 0.619 4.970 4.350 0.001 0.000 0.318 55 T C -3.068 171.524 174.700 -0.179 0.000 1.265 55 T CA -0.888 61.124 62.100 -0.146 0.000 1.036 55 T CB 2.651 71.541 68.868 0.037 0.000 1.209 55 T HN -0.008 nan 8.240 nan 0.000 0.484 56 P HA 0.261 nan 4.420 nan 0.000 0.276 56 P C -1.210 176.105 177.300 0.026 0.000 1.264 56 P CA 0.021 62.977 63.100 -0.240 0.000 0.769 56 P CB 0.231 31.670 31.700 -0.436 0.000 0.840 57 Q N 1.613 121.427 119.800 0.023 0.000 2.482 57 Q HA 0.705 5.045 4.340 0.001 0.000 0.286 57 Q C -1.941 174.059 176.000 -0.001 0.000 1.007 57 Q CA -1.174 54.652 55.803 0.038 0.000 0.801 57 Q CB 1.629 30.370 28.738 0.005 0.000 1.455 57 Q HN 0.099 nan 8.270 nan 0.000 0.398 58 V N 1.318 121.224 119.914 -0.013 0.000 2.569 58 V HA 0.651 4.772 4.120 0.001 0.000 0.301 58 V C 0.084 176.152 176.094 -0.042 0.000 1.044 58 V CA 0.151 62.434 62.300 -0.029 0.000 0.874 58 V CB 1.239 33.051 31.823 -0.019 0.000 1.002 58 V HN 0.995 nan 8.190 nan 0.000 0.424 59 G N 3.223 111.987 108.800 -0.059 0.000 3.387 59 G HA2 0.313 4.273 3.960 0.001 0.000 0.195 59 G HA3 0.313 4.273 3.960 0.001 0.000 0.195 59 G C -0.042 174.817 174.900 -0.068 0.000 1.853 59 G CA -0.128 44.936 45.100 -0.060 0.000 0.879 59 G HN 0.541 nan 8.290 nan 0.000 0.651 60 E N 0.737 120.887 120.200 -0.084 0.000 2.349 60 E HA 0.435 4.786 4.350 0.001 0.000 0.265 60 E C -0.675 175.848 176.600 -0.130 0.000 1.064 60 E CA 0.118 56.468 56.400 -0.083 0.000 0.886 60 E CB 1.565 31.221 29.700 -0.073 0.000 1.036 60 E HN 0.227 nan 8.360 nan 0.000 0.413 61 K N 0.242 120.584 120.400 -0.097 0.000 2.316 61 K HA 0.726 5.046 4.320 0.001 0.000 0.251 61 K C -1.066 175.499 176.600 -0.058 0.000 0.934 61 K CA -0.673 55.547 56.287 -0.112 0.000 0.802 61 K CB 2.277 34.745 32.500 -0.052 0.000 1.171 61 K HN 0.498 nan 8.250 nan 0.000 0.426 62 A N 1.689 124.466 122.820 -0.071 0.000 2.449 62 A HA 0.638 4.959 4.320 0.001 0.000 0.302 62 A C -1.320 176.364 177.584 0.166 0.000 1.048 62 A CA -0.712 51.383 52.037 0.098 0.000 0.708 62 A CB 1.402 20.468 19.000 0.110 0.000 1.274 62 A HN 0.383 nan 8.150 nan 0.000 0.410 63 V N 2.757 122.800 119.914 0.215 0.000 2.384 63 V HA 0.395 4.515 4.120 0.001 0.000 0.287 63 V C -0.912 175.326 176.094 0.240 0.000 1.020 63 V CA -0.395 62.023 62.300 0.196 0.000 0.850 63 V CB 1.116 33.021 31.823 0.137 0.000 0.987 63 V HN 0.697 nan 8.190 nan 0.000 0.436 64 L N 6.210 127.566 121.223 0.221 0.000 2.265 64 L HA 0.487 4.827 4.340 0.001 0.000 0.289 64 L C -0.086 176.865 176.870 0.136 0.000 1.033 64 L CA 0.087 55.049 54.840 0.203 0.000 0.814 64 L CB 1.661 43.825 42.059 0.175 0.000 1.203 64 L HN 0.414 nan 8.230 nan 0.000 0.423 65 V N 4.757 124.743 119.914 0.120 0.000 2.328 65 V HA 0.419 4.540 4.120 0.001 0.000 0.278 65 V C 0.173 176.301 176.094 0.057 0.000 1.021 65 V CA -0.699 61.650 62.300 0.082 0.000 0.838 65 V CB 1.257 33.125 31.823 0.075 0.000 0.999 65 V HN 0.564 nan 8.190 nan 0.000 0.447 66 M N 4.480 124.111 119.600 0.051 0.000 2.120 66 M HA 0.359 4.840 4.480 0.001 0.000 0.354 66 M C -0.456 175.875 176.300 0.050 0.000 1.287 66 M CA -0.088 55.235 55.300 0.038 0.000 1.103 66 M CB 0.469 33.094 32.600 0.041 0.000 1.623 66 M HN 0.539 nan 8.290 nan 0.000 0.471 67 C N 3.125 122.448 119.300 0.037 0.000 2.351 67 C HA 0.997 5.457 4.460 0.001 0.000 0.326 67 C C 0.353 175.372 174.990 0.047 0.000 1.272 67 C CA -0.656 58.389 59.018 0.045 0.000 1.650 67 C CB 0.645 28.402 27.740 0.028 0.000 2.257 67 C HN 0.980 nan 8.230 nan 0.000 0.505 68 A N 2.607 125.462 122.820 0.058 0.000 2.608 68 A HA 0.746 5.066 4.320 0.001 0.000 0.292 68 A C -1.766 175.799 177.584 -0.033 0.000 1.066 68 A CA -0.448 51.603 52.037 0.024 0.000 0.676 68 A CB 1.035 20.061 19.000 0.042 0.000 1.277 68 A HN 0.739 nan 8.150 nan 0.000 0.413 69 D N 0.408 120.756 120.400 -0.086 0.000 2.326 69 D HA 0.545 5.185 4.640 0.001 0.000 0.248 69 D C -0.942 175.198 176.300 -0.267 0.000 1.001 69 D CA 0.037 54.006 54.000 -0.052 0.000 0.961 69 D CB 1.001 41.781 40.800 -0.033 0.000 1.183 69 D HN 0.561 nan 8.370 nan 0.000 0.502 70 H N -0.631 118.441 119.070 0.003 0.000 2.600 70 H HA 0.256 4.813 4.556 0.001 0.000 0.357 70 H C 0.841 176.201 175.328 0.053 0.000 1.106 70 H CA -0.663 55.380 56.048 -0.009 0.000 1.193 70 H CB 2.190 31.964 29.762 0.020 0.000 1.594 70 H HN 0.575 nan 8.280 nan 0.000 0.526 71 G N 1.455 110.317 108.800 0.103 0.000 2.443 71 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 71 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 71 G C 1.415 176.404 174.900 0.150 0.000 1.131 71 G CA 0.560 45.724 45.100 0.106 0.000 0.775 71 G HN 0.453 nan 8.290 nan 0.000 0.547 72 V N -0.164 119.834 119.914 0.139 0.000 3.078 72 V HA -0.044 4.076 4.120 0.001 0.000 0.265 72 V C 2.043 178.200 176.094 0.105 0.000 1.122 72 V CA 1.350 63.704 62.300 0.090 0.000 1.141 72 V CB -0.411 31.438 31.823 0.043 0.000 0.735 72 V HN 0.636 nan 8.190 nan 0.000 0.498 73 W N 0.899 122.212 121.300 0.022 0.000 2.350 73 W HA -0.185 4.476 4.660 0.001 0.000 0.289 73 W C 1.883 178.406 176.519 0.007 0.000 1.215 73 W CA 1.758 59.111 57.345 0.014 0.000 1.236 73 W CB -0.017 29.462 29.460 0.032 0.000 1.130 73 W HN 0.349 nan 8.180 nan 0.000 0.541 74 D N 0.174 120.718 120.400 0.240 0.000 2.350 74 D HA -0.140 4.501 4.640 0.001 0.000 0.216 74 D C 1.412 177.673 176.300 -0.064 0.000 0.968 74 D CA 1.004 55.077 54.000 0.122 0.000 0.894 74 D CB -0.245 40.654 40.800 0.165 0.000 0.909 74 D HN 0.333 nan 8.370 nan 0.000 0.520 75 E N 0.038 120.179 120.200 -0.098 0.000 2.494 75 E HA 0.111 4.462 4.350 0.001 0.000 0.193 75 E C 1.201 177.688 176.600 -0.188 0.000 1.074 75 E CA 0.053 56.386 56.400 -0.111 0.000 0.867 75 E CB 0.075 29.732 29.700 -0.073 0.000 0.924 75 E HN 0.248 nan 8.360 nan 0.000 0.502 76 G N 1.699 110.297 108.800 -0.336 0.000 2.246 76 G HA2 -0.302 3.658 3.960 0.001 0.000 0.273 76 G HA3 -0.302 3.658 3.960 0.001 0.000 0.273 76 G C 0.909 175.623 174.900 -0.310 0.000 1.055 76 G CA 0.538 45.406 45.100 -0.387 0.000 0.851 76 G HN 0.335 nan 8.290 nan 0.000 0.500 77 V N -3.924 115.801 119.914 -0.315 0.000 3.647 77 V HA 0.761 4.882 4.120 0.001 0.000 0.279 77 V C 0.972 176.947 176.094 -0.199 0.000 1.314 77 V CA 0.904 63.082 62.300 -0.204 0.000 1.125 77 V CB 0.104 31.845 31.823 -0.138 0.000 0.907 77 V HN 1.871 nan 8.190 nan 0.000 0.434 78 A N 0.163 122.795 122.820 -0.314 0.000 2.455 78 A HA 0.708 5.029 4.320 0.001 0.000 0.300 78 A C 0.290 177.781 177.584 -0.155 0.000 1.040 78 A CA 0.178 52.109 52.037 -0.176 0.000 0.697 78 A CB 2.096 21.070 19.000 -0.043 0.000 1.265 78 A HN 0.939 nan 8.150 nan 0.000 0.407 79 V N -0.416 119.484 119.914 -0.023 0.000 3.354 79 V HA 0.145 4.265 4.120 0.001 0.000 0.258 79 V C 0.734 176.906 176.094 0.129 0.000 1.159 79 V CA 1.034 63.346 62.300 0.020 0.000 1.125 79 V CB -0.558 31.270 31.823 0.008 0.000 0.774 79 V HN 0.557 nan 8.190 nan 0.000 0.464 80 S N 2.526 118.339 115.700 0.188 0.000 2.548 80 S HA 0.421 4.892 4.470 0.001 0.000 0.277 80 S C -2.269 172.541 174.600 0.349 0.000 1.315 80 S CA -0.401 57.927 58.200 0.212 0.000 1.050 80 S CB 0.737 64.037 63.200 0.167 0.000 0.918 80 S HN 0.360 nan 8.310 nan 0.000 0.497 81 P HA 0.106 nan 4.420 nan 0.000 0.266 81 P C 0.602 177.847 177.300 -0.091 0.000 1.195 81 P CA -0.218 62.964 63.100 0.136 0.000 0.768 81 P CB 0.491 32.221 31.700 0.051 0.000 0.838 82 K N 2.941 123.005 120.400 -0.560 0.000 2.209 82 K HA -0.121 4.199 4.320 0.001 0.000 0.204 82 K C 1.619 178.010 176.600 -0.348 0.000 1.048 82 K CA 0.977 56.797 56.287 -0.777 0.000 0.940 82 K CB -0.347 31.380 32.500 -1.288 0.000 0.729 82 K HN 0.415 nan 8.250 nan 0.000 0.451 83 I N 0.405 120.831 120.570 -0.239 0.000 2.756 83 I HA -0.197 3.974 4.170 0.001 0.000 0.262 83 I C 1.359 177.429 176.117 -0.077 0.000 1.225 83 I CA 0.489 61.709 61.300 -0.135 0.000 1.472 83 I CB 0.217 38.158 38.000 -0.099 0.000 1.094 83 I HN -0.031 nan 8.210 nan 0.000 0.454 84 V N 0.934 120.813 119.914 -0.059 0.000 2.469 84 V HA -0.320 3.801 4.120 0.001 0.000 0.251 84 V C 2.385 178.472 176.094 -0.011 0.000 1.064 84 V CA 2.446 64.737 62.300 -0.016 0.000 1.066 84 V CB -1.099 30.733 31.823 0.015 0.000 0.667 84 V HN 0.521 nan 8.190 nan 0.000 0.461 85 T N 0.498 115.038 114.554 -0.023 0.000 2.652 85 T HA -0.226 4.125 4.350 0.001 0.000 0.267 85 T C 2.071 176.766 174.700 -0.008 0.000 1.039 85 T CA 1.853 63.951 62.100 -0.003 0.000 1.153 85 T CB -0.474 68.391 68.868 -0.005 0.000 0.863 85 T HN 0.602 nan 8.240 nan 0.000 0.428 86 A N 0.809 123.613 122.820 -0.027 0.000 1.902 86 A HA 0.011 4.331 4.320 0.001 0.000 0.217 86 A C 2.326 179.901 177.584 -0.016 0.000 1.181 86 A CA 1.151 53.174 52.037 -0.023 0.000 0.623 86 A CB -0.756 18.223 19.000 -0.035 0.000 0.818 86 A HN 0.528 nan 8.150 nan 0.000 0.443 87 I N -0.878 119.682 120.570 -0.017 0.000 2.202 87 I HA -0.245 3.925 4.170 0.001 0.000 0.242 87 I C 2.729 178.845 176.117 -0.002 0.000 1.091 87 I CA 1.171 62.465 61.300 -0.010 0.000 1.368 87 I CB -0.347 37.648 38.000 -0.009 0.000 1.058 87 I HN 0.306 nan 8.210 nan 0.000 0.410 88 Q N 0.582 120.384 119.800 0.003 0.000 2.170 88 Q HA -0.133 4.208 4.340 0.001 0.000 0.203 88 Q C 2.385 178.391 176.000 0.010 0.000 0.976 88 Q CA 1.701 57.510 55.803 0.010 0.000 0.858 88 Q CB -0.322 28.427 28.738 0.018 0.000 0.907 88 Q HN 0.560 nan 8.270 nan 0.000 0.433 89 A N 0.734 123.558 122.820 0.007 0.000 1.902 89 A HA -0.095 4.226 4.320 0.001 0.000 0.217 89 A C 2.293 179.879 177.584 0.002 0.000 1.181 89 A CA 1.834 53.875 52.037 0.007 0.000 0.623 89 A CB -0.598 18.404 19.000 0.003 0.000 0.818 89 A HN 0.365 nan 8.150 nan 0.000 0.443 90 A N 0.285 123.104 122.820 -0.001 0.000 1.902 90 A HA -0.184 4.136 4.320 0.001 0.000 0.217 90 A C 1.878 179.461 177.584 -0.001 0.000 1.181 90 A CA 1.708 53.743 52.037 -0.003 0.000 0.623 90 A CB -0.631 18.366 19.000 -0.006 0.000 0.818 90 A HN 0.526 nan 8.150 nan 0.000 0.443 91 N N -0.200 118.500 118.700 0.002 0.000 2.289 91 N HA -0.119 4.622 4.740 0.001 0.000 0.184 91 N C 1.610 177.123 175.510 0.004 0.000 1.016 91 N CA 1.316 54.368 53.050 0.003 0.000 0.872 91 N CB -0.389 38.101 38.487 0.006 0.000 0.973 91 N HN 0.426 nan 8.380 nan 0.000 0.433 92 M N 0.318 119.921 119.600 0.006 0.000 2.159 92 M HA -0.090 4.391 4.480 0.001 0.000 0.263 92 M C 1.969 178.269 176.300 -0.001 0.000 1.063 92 M CA 1.397 56.702 55.300 0.007 0.000 1.110 92 M CB -1.395 31.212 32.600 0.013 0.000 1.374 92 M HN 0.250 nan 8.290 nan 0.000 0.411 93 T N -2.240 112.312 114.554 -0.004 0.000 3.072 93 T HA -0.036 4.314 4.350 0.001 0.000 0.266 93 T C 1.692 176.386 174.700 -0.009 0.000 1.127 93 T CA 0.673 62.768 62.100 -0.010 0.000 1.107 93 T CB -0.213 68.650 68.868 -0.009 0.000 0.910 93 T HN 0.404 nan 8.240 nan 0.000 0.513 94 R N 0.294 120.791 120.500 -0.005 0.000 2.334 94 R HA 0.395 4.735 4.340 0.001 0.000 0.216 94 R C 1.742 178.040 176.300 -0.003 0.000 0.905 94 R CA 0.334 56.431 56.100 -0.004 0.000 1.064 94 R CB 0.186 30.485 30.300 -0.002 0.000 1.046 94 R HN 0.482 nan 8.270 nan 0.000 0.508 95 G N 1.228 110.026 108.800 -0.003 0.000 2.153 95 G HA2 -0.321 3.639 3.960 0.001 0.000 0.252 95 G HA3 -0.321 3.639 3.960 0.001 0.000 0.252 95 G C 0.783 175.684 174.900 0.002 0.000 0.994 95 G CA 0.918 46.017 45.100 -0.001 0.000 0.698 95 G HN 0.461 nan 8.290 nan 0.000 0.521 96 T N -2.072 112.484 114.554 0.004 0.000 3.086 96 T HA 0.379 4.730 4.350 0.001 0.000 0.250 96 T C 1.368 176.073 174.700 0.008 0.000 1.074 96 T CA 1.212 63.315 62.100 0.006 0.000 0.988 96 T CB 0.306 69.177 68.868 0.005 0.000 0.988 96 T HN 1.257 nan 8.240 nan 0.000 0.530 97 T N -1.329 113.231 114.554 0.010 0.000 2.816 97 T HA 0.561 4.912 4.350 0.001 0.000 0.282 97 T C 1.814 176.523 174.700 0.014 0.000 0.993 97 T CA -0.056 62.052 62.100 0.013 0.000 0.994 97 T CB 0.968 69.846 68.868 0.017 0.000 1.025 97 T HN 0.087 nan 8.240 nan 0.000 0.529 98 G N 0.041 108.850 108.800 0.015 0.000 2.491 98 G HA2 -0.216 3.744 3.960 0.001 0.000 0.218 98 G HA3 -0.216 3.744 3.960 0.001 0.000 0.218 98 G C 1.584 176.493 174.900 0.014 0.000 1.180 98 G CA 1.460 46.568 45.100 0.013 0.000 0.774 98 G HN 1.095 nan 8.290 nan 0.000 0.562 99 V N -1.077 118.850 119.914 0.020 0.000 2.515 99 V HA -0.174 3.946 4.120 0.001 0.000 0.250 99 V C 2.733 178.842 176.094 0.025 0.000 1.058 99 V CA 1.621 63.937 62.300 0.026 0.000 1.064 99 V CB -1.427 30.419 31.823 0.038 0.000 0.675 99 V HN 0.392 nan 8.190 nan 0.000 0.461 100 C N 0.119 119.431 119.300 0.020 0.000 2.429 100 C HA -0.068 4.393 4.460 0.001 0.000 0.277 100 C C 2.898 177.895 174.990 0.012 0.000 1.262 100 C CA 1.169 60.196 59.018 0.015 0.000 1.733 100 C CB -0.999 26.746 27.740 0.009 0.000 2.010 100 C HN 0.496 nan 8.230 nan 0.000 0.483 101 V N 0.854 120.775 119.914 0.011 0.000 2.358 101 V HA -0.178 3.942 4.120 0.001 0.000 0.246 101 V C 2.296 178.396 176.094 0.011 0.000 1.047 101 V CA 1.761 64.067 62.300 0.010 0.000 1.035 101 V CB -0.550 31.279 31.823 0.009 0.000 0.658 101 V HN 0.549 nan 8.190 nan 0.000 0.452 102 L N -0.094 121.136 121.223 0.013 0.000 2.156 102 L HA -0.060 4.281 4.340 0.001 0.000 0.208 102 L C 2.690 179.571 176.870 0.019 0.000 1.095 102 L CA 1.280 56.128 54.840 0.014 0.000 0.770 102 L CB -0.749 41.317 42.059 0.011 0.000 0.914 102 L HN 0.347 nan 8.230 nan 0.000 0.439 103 A N 0.262 123.096 122.820 0.022 0.000 1.898 103 A HA -0.125 4.196 4.320 0.001 0.000 0.216 103 A C 2.557 180.152 177.584 0.018 0.000 1.181 103 A CA 1.559 53.612 52.037 0.026 0.000 0.620 103 A CB -0.610 18.410 19.000 0.033 0.000 0.819 103 A HN 0.369 nan 8.150 nan 0.000 0.442 104 A N -1.016 121.811 122.820 0.013 0.000 1.940 104 A HA -0.222 4.098 4.320 0.001 0.000 0.219 104 A C 2.131 179.720 177.584 0.008 0.000 1.176 104 A CA 2.120 54.162 52.037 0.008 0.000 0.631 104 A CB -0.508 18.496 19.000 0.006 0.000 0.814 104 A HN 0.514 nan 8.150 nan 0.000 0.446 105 Q N -0.467 119.340 119.800 0.010 0.000 2.124 105 Q HA 0.018 4.358 4.340 0.001 0.000 0.202 105 Q C 1.853 177.860 176.000 0.011 0.000 0.977 105 Q CA 1.809 57.618 55.803 0.010 0.000 0.850 105 Q CB -0.456 28.288 28.738 0.012 0.000 0.901 105 Q HN 0.597 nan 8.270 nan 0.000 0.429 106 A N -1.307 121.521 122.820 0.014 0.000 2.251 106 A HA 0.417 4.738 4.320 0.001 0.000 0.209 106 A C 1.304 178.893 177.584 0.009 0.000 1.187 106 A CA 0.627 52.672 52.037 0.014 0.000 0.823 106 A CB -0.502 18.510 19.000 0.020 0.000 0.846 106 A HN 0.513 nan 8.150 nan 0.000 0.486 107 G N -1.600 107.204 108.800 0.007 0.000 2.176 107 G HA2 0.110 4.071 3.960 0.001 0.000 0.252 107 G HA3 0.110 4.071 3.960 0.001 0.000 0.252 107 G C 0.269 175.171 174.900 0.003 0.000 1.024 107 G CA 0.472 45.574 45.100 0.003 0.000 0.755 107 G HN 1.569 nan 8.290 nan 0.000 0.507 108 A N -1.103 121.724 122.820 0.011 0.000 2.320 108 A HA 1.040 5.360 4.320 0.001 0.000 0.334 108 A C 0.253 177.853 177.584 0.027 0.000 1.147 108 A CA 0.669 52.717 52.037 0.019 0.000 0.820 108 A CB 1.186 20.203 19.000 0.030 0.000 1.218 108 A HN 1.706 nan 8.150 nan 0.000 0.482 109 K N 0.373 120.801 120.400 0.046 0.000 2.138 109 K HA 0.667 4.987 4.320 0.001 0.000 0.263 109 K C -0.749 175.887 176.600 0.061 0.000 0.965 109 K CA -0.537 55.764 56.287 0.023 0.000 0.868 109 K CB 1.303 33.806 32.500 0.006 0.000 1.083 109 K HN 0.909 nan 8.250 nan 0.000 0.443 110 V N 3.998 123.906 119.914 -0.011 0.000 2.407 110 V HA 0.313 4.433 4.120 0.001 0.000 0.278 110 V C -0.231 175.823 176.094 -0.066 0.000 1.037 110 V CA -0.797 61.525 62.300 0.038 0.000 0.900 110 V CB 0.940 32.779 31.823 0.027 0.000 0.983 110 V HN 0.894 nan 8.190 nan 0.000 0.459 111 H N 3.424 122.553 119.070 0.098 0.000 2.541 111 H HA 0.414 4.971 4.556 0.001 0.000 0.316 111 H C -0.830 174.542 175.328 0.073 0.000 1.043 111 H CA -0.474 55.643 56.048 0.115 0.000 1.232 111 H CB 2.036 31.924 29.762 0.211 0.000 1.406 111 H HN 0.410 nan 8.280 nan 0.000 0.469 112 V N 6.523 126.495 119.914 0.097 0.000 2.364 112 V HA 0.243 4.364 4.120 0.001 0.000 0.272 112 V C 0.538 176.645 176.094 0.022 0.000 1.036 112 V CA -0.378 61.954 62.300 0.053 0.000 0.880 112 V CB 0.719 32.556 31.823 0.023 0.000 0.991 112 V HN 0.569 nan 8.190 nan 0.000 0.460 113 I N 3.775 124.345 120.570 -0.000 0.000 2.389 113 I HA 0.358 4.528 4.170 0.001 0.000 0.288 113 I C -0.497 175.590 176.117 -0.050 0.000 0.999 113 I CA -0.471 60.790 61.300 -0.064 0.000 1.129 113 I CB 1.928 39.850 38.000 -0.129 0.000 1.288 113 I HN 0.503 nan 8.210 nan 0.000 0.444 114 D N 6.478 126.841 120.400 -0.061 0.000 2.365 114 D HA 0.178 4.819 4.640 0.001 0.000 0.237 114 D C 0.648 176.903 176.300 -0.076 0.000 1.190 114 D CA -0.296 53.674 54.000 -0.049 0.000 0.867 114 D CB 1.514 42.286 40.800 -0.046 0.000 1.050 114 D HN 0.366 nan 8.370 nan 0.000 0.491 115 V N 1.558 121.438 119.914 -0.057 0.000 3.578 115 V HA 0.565 4.685 4.120 0.001 0.000 0.290 115 V C 0.979 176.992 176.094 -0.135 0.000 1.376 115 V CA 0.323 62.560 62.300 -0.104 0.000 1.083 115 V CB 0.252 32.042 31.823 -0.054 0.000 0.911 115 V HN 0.623 nan 8.190 nan 0.000 0.433 116 G N 0.655 109.443 108.800 -0.020 0.000 4.154 116 G HA2 0.197 4.157 3.960 0.001 0.000 0.228 116 G HA3 0.197 4.157 3.960 0.001 0.000 0.228 116 G C -0.421 174.535 174.900 0.093 0.000 2.157 116 G CA -0.597 44.553 45.100 0.083 0.000 1.088 116 G HN 0.318 nan 8.290 nan 0.000 0.506 117 I N 0.930 121.513 120.570 0.022 0.000 2.529 117 I HA 0.149 4.320 4.170 0.001 0.000 0.284 117 I C 0.061 176.176 176.117 -0.004 0.000 1.082 117 I CA -0.223 61.079 61.300 0.004 0.000 1.406 117 I CB 1.185 39.179 38.000 -0.010 0.000 1.405 117 I HN 0.042 nan 8.210 nan 0.000 0.548 118 D N 6.456 126.845 120.400 -0.019 0.000 2.619 118 D HA 0.544 5.184 4.640 0.001 0.000 0.224 118 D C -0.453 175.821 176.300 -0.043 0.000 1.133 118 D CA 0.195 54.178 54.000 -0.028 0.000 1.017 118 D CB 0.033 40.806 40.800 -0.046 0.000 1.077 118 D HN 0.650 nan 8.370 nan 0.000 0.503 119 A N 2.193 124.994 122.820 -0.032 0.000 2.515 119 A HA 0.377 4.697 4.320 0.001 0.000 0.292 119 A C -0.525 177.043 177.584 -0.027 0.000 1.065 119 A CA -0.858 51.158 52.037 -0.034 0.000 0.641 119 A CB 0.617 19.593 19.000 -0.039 0.000 1.306 119 A HN 0.240 nan 8.150 nan 0.000 0.441 120 E N 0.618 120.803 120.200 -0.025 0.000 2.408 120 E HA 0.325 4.675 4.350 0.001 0.000 0.259 120 E C -2.182 174.404 176.600 -0.023 0.000 1.110 120 E CA -1.203 55.184 56.400 -0.022 0.000 0.929 120 E CB 0.006 29.694 29.700 -0.020 0.000 0.971 120 E HN 0.333 nan 8.360 nan 0.000 0.438 121 P HA -0.013 nan 4.420 nan 0.000 0.266 121 P C -0.747 176.540 177.300 -0.020 0.000 1.195 121 P CA 0.633 63.718 63.100 -0.024 0.000 0.768 121 P CB 0.351 32.036 31.700 -0.024 0.000 0.838 122 I N 5.022 125.580 120.570 -0.020 0.000 2.330 122 I HA 0.269 4.439 4.170 0.001 0.000 0.289 122 I C -2.052 174.057 176.117 -0.014 0.000 1.001 122 I CA -2.557 58.733 61.300 -0.016 0.000 1.193 122 I CB 1.366 39.357 38.000 -0.015 0.000 1.345 122 I HN 0.159 nan 8.210 nan 0.000 0.461 123 P HA 0.108 nan 4.420 nan 0.000 0.266 123 P C 0.888 178.183 177.300 -0.008 0.000 1.195 123 P CA 0.585 63.680 63.100 -0.009 0.000 0.768 123 P CB 0.708 32.404 31.700 -0.008 0.000 0.838 124 G N 0.786 109.583 108.800 -0.005 0.000 2.241 124 G HA2 -0.214 3.747 3.960 0.001 0.000 0.244 124 G HA3 -0.214 3.747 3.960 0.001 0.000 0.244 124 G C 0.068 174.966 174.900 -0.004 0.000 0.998 124 G CA -0.061 45.037 45.100 -0.004 0.000 0.621 124 G HN 0.552 nan 8.290 nan 0.000 0.519 125 V N 1.878 121.788 119.914 -0.007 0.000 2.509 125 V HA 0.527 4.648 4.120 0.001 0.000 0.284 125 V C 1.154 177.237 176.094 -0.018 0.000 1.047 125 V CA -0.662 61.632 62.300 -0.010 0.000 0.952 125 V CB 1.817 33.632 31.823 -0.015 0.000 0.988 125 V HN 0.308 nan 8.190 nan 0.000 0.469 126 V N 4.549 124.448 119.914 -0.025 0.000 2.529 126 V HA 0.058 4.179 4.120 0.001 0.000 0.292 126 V C 0.599 176.640 176.094 -0.088 0.000 1.028 126 V CA -0.048 62.216 62.300 -0.059 0.000 1.074 126 V CB 0.582 32.326 31.823 -0.130 0.000 0.958 126 V HN 0.883 nan 8.190 nan 0.000 0.481 127 N N 5.921 124.575 118.700 -0.076 0.000 2.420 127 N HA 0.404 5.144 4.740 0.001 0.000 0.249 127 N C -0.218 175.229 175.510 -0.106 0.000 1.033 127 N CA -0.149 52.852 53.050 -0.081 0.000 0.944 127 N CB 0.940 39.393 38.487 -0.057 0.000 1.113 127 N HN 0.685 nan 8.380 nan 0.000 0.502 128 M N 3.027 122.551 119.600 -0.127 0.000 3.017 128 M HA 0.149 4.630 4.480 0.001 0.000 0.423 128 M C -0.264 175.936 176.300 -0.168 0.000 1.395 128 M CA -0.471 54.742 55.300 -0.144 0.000 0.816 128 M CB 0.617 33.115 32.600 -0.170 0.000 1.440 128 M HN 0.287 nan 8.290 nan 0.000 0.506 129 R N -0.358 120.049 120.500 -0.155 0.000 2.449 129 R HA 0.250 4.590 4.340 0.001 0.000 0.296 129 R C 0.540 176.673 176.300 -0.277 0.000 1.047 129 R CA -0.377 55.603 56.100 -0.200 0.000 1.018 129 R CB 0.575 30.796 30.300 -0.132 0.000 0.962 129 R HN 0.000 nan 8.270 nan 0.000 0.428 130 V N 1.762 121.374 119.914 -0.503 0.000 2.446 130 V HA 0.076 4.197 4.120 0.001 0.000 0.244 130 V C 1.031 176.889 176.094 -0.393 0.000 1.039 130 V CA 1.909 63.854 62.300 -0.592 0.000 1.045 130 V CB -0.543 30.563 31.823 -1.194 0.000 0.681 130 V HN 1.004 nan 8.190 nan 0.000 0.459 131 A N -1.177 121.443 122.820 -0.334 0.000 2.511 131 A HA 0.575 4.896 4.320 0.001 0.000 0.293 131 A C -0.596 177.024 177.584 0.060 0.000 1.098 131 A CA -0.755 51.257 52.037 -0.042 0.000 0.643 131 A CB 0.717 19.779 19.000 0.103 0.000 1.302 131 A HN 0.075 nan 8.150 nan 0.000 0.446 132 R N 0.788 121.327 120.500 0.065 0.000 3.268 132 R HA 0.432 4.772 4.340 0.001 0.000 0.217 132 R C 0.473 176.823 176.300 0.084 0.000 1.568 132 R CA 1.099 57.231 56.100 0.053 0.000 1.322 132 R CB -0.362 29.948 30.300 0.018 0.000 1.280 132 R HN 1.901 nan 8.270 nan 0.000 0.667 133 G N 0.989 109.878 108.800 0.147 0.000 2.705 133 G HA2 -0.239 3.721 3.960 0.001 0.000 0.686 133 G HA3 -0.239 3.721 3.960 0.001 0.000 0.686 133 G C 0.108 175.025 174.900 0.029 0.000 1.285 133 G CA -0.615 44.518 45.100 0.056 0.000 0.800 133 G HN 0.695 nan 8.290 nan 0.000 0.611 134 C N 1.142 120.214 119.300 -0.380 0.000 2.396 134 C HA 0.975 5.436 4.460 0.001 0.000 0.359 134 C C 1.593 176.450 174.990 -0.223 0.000 1.307 134 C CA 0.075 58.730 59.018 -0.604 0.000 2.392 134 C CB 0.779 27.812 27.740 -1.179 0.000 2.245 134 C HN 2.273 nan 8.230 nan 0.000 0.615 135 G N 0.979 109.685 108.800 -0.156 0.000 2.594 135 G HA2 0.244 4.204 3.960 0.001 0.000 0.243 135 G HA3 0.244 4.204 3.960 0.001 0.000 0.243 135 G C 0.016 174.888 174.900 -0.046 0.000 1.229 135 G CA -0.197 44.866 45.100 -0.061 0.000 0.843 135 G HN 1.010 nan 8.290 nan 0.000 0.578 136 N N 1.091 119.788 118.700 -0.006 0.000 2.406 136 N HA -0.024 4.716 4.740 0.001 0.000 0.265 136 N C 1.828 177.337 175.510 -0.002 0.000 1.203 136 N CA -0.521 52.537 53.050 0.013 0.000 0.945 136 N CB 0.251 38.754 38.487 0.026 0.000 1.165 136 N HN 0.482 nan 8.380 nan 0.000 0.485 137 I N 1.120 121.687 120.570 -0.005 0.000 2.850 137 I HA -0.104 4.067 4.170 0.001 0.000 0.266 137 I C 1.504 177.612 176.117 -0.015 0.000 1.257 137 I CA 0.911 62.202 61.300 -0.015 0.000 1.465 137 I CB -0.262 37.728 38.000 -0.017 0.000 1.091 137 I HN 0.370 nan 8.210 nan 0.000 0.467 138 A N 1.640 124.454 122.820 -0.010 0.000 2.066 138 A HA 0.002 4.323 4.320 0.001 0.000 0.218 138 A C 2.197 179.774 177.584 -0.012 0.000 1.157 138 A CA 1.764 53.794 52.037 -0.013 0.000 0.670 138 A CB -0.511 18.481 19.000 -0.013 0.000 0.804 138 A HN 0.584 nan 8.150 nan 0.000 0.453 139 V N -5.439 114.470 119.914 -0.008 0.000 3.432 139 V HA 0.659 4.779 4.120 0.001 0.000 0.298 139 V C 0.596 176.686 176.094 -0.007 0.000 1.464 139 V CA 0.542 62.838 62.300 -0.007 0.000 1.046 139 V CB -0.314 31.508 31.823 -0.002 0.000 0.887 139 V HN 0.912 nan 8.190 nan 0.000 0.441 140 G N 0.554 109.348 108.800 -0.010 0.000 2.341 140 G HA2 0.464 4.425 3.960 0.001 0.000 0.299 140 G HA3 0.464 4.425 3.960 0.001 0.000 0.299 140 G C -3.531 171.359 174.900 -0.016 0.000 1.274 140 G CA -0.258 44.836 45.100 -0.011 0.000 0.853 140 G HN 0.092 nan 8.290 nan 0.000 0.493 141 P HA 0.400 nan 4.420 nan 0.000 0.277 141 P C 0.717 177.997 177.300 -0.033 0.000 1.240 141 P CA 0.595 63.682 63.100 -0.021 0.000 0.798 141 P CB 1.907 33.601 31.700 -0.010 0.000 0.979 142 A N 3.422 126.209 122.820 -0.054 0.000 1.930 142 A HA 0.040 4.361 4.320 0.001 0.000 0.217 142 A C 1.365 178.881 177.584 -0.113 0.000 1.175 142 A CA 1.624 53.589 52.037 -0.120 0.000 0.627 142 A CB -0.680 18.228 19.000 -0.153 0.000 0.815 142 A HN 0.773 nan 8.150 nan 0.000 0.443 143 M N -3.281 116.309 119.600 -0.017 0.000 3.084 143 M HA 0.473 4.954 4.480 0.001 0.000 0.273 143 M C -0.571 175.767 176.300 0.063 0.000 1.242 143 M CA -0.349 54.998 55.300 0.078 0.000 0.819 143 M CB 1.366 34.100 32.600 0.225 0.000 1.625 143 M HN 0.140 nan 8.290 nan 0.000 0.493 144 S N 0.034 115.779 115.700 0.076 0.000 2.632 144 S HA 0.427 4.898 4.470 0.001 0.000 0.271 144 S C 0.673 175.301 174.600 0.047 0.000 1.260 144 S CA -0.518 57.710 58.200 0.047 0.000 1.010 144 S CB 1.924 65.148 63.200 0.039 0.000 0.965 144 S HN 0.927 nan 8.310 nan 0.000 0.534 145 R N 0.189 120.709 120.500 0.032 0.000 2.096 145 R HA -0.016 4.324 4.340 0.001 0.000 0.235 145 R C 1.871 178.188 176.300 0.028 0.000 1.127 145 R CA 1.402 57.520 56.100 0.030 0.000 0.968 145 R CB -0.661 29.652 30.300 0.021 0.000 0.861 145 R HN 0.826 nan 8.270 nan 0.000 0.440 146 L N 0.235 121.472 121.223 0.022 0.000 2.093 146 L HA -0.180 4.160 4.340 0.001 0.000 0.208 146 L C 2.514 179.392 176.870 0.013 0.000 1.085 146 L CA 1.353 56.201 54.840 0.014 0.000 0.755 146 L CB -0.371 41.693 42.059 0.008 0.000 0.904 146 L HN 0.284 nan 8.230 nan 0.000 0.435 147 Q N -0.290 119.526 119.800 0.026 0.000 2.119 147 Q HA -0.154 4.186 4.340 0.001 0.000 0.201 147 Q C 2.456 178.476 176.000 0.033 0.000 0.972 147 Q CA 1.468 57.284 55.803 0.021 0.000 0.847 147 Q CB -0.178 28.597 28.738 0.062 0.000 0.903 147 Q HN 0.561 nan 8.270 nan 0.000 0.433 148 A N 1.280 124.137 122.820 0.062 0.000 1.873 148 A HA -0.211 4.109 4.320 0.001 0.000 0.215 148 A C 1.820 179.424 177.584 0.033 0.000 1.186 148 A CA 1.360 53.437 52.037 0.067 0.000 0.616 148 A CB -0.375 18.667 19.000 0.069 0.000 0.823 148 A HN 0.297 nan 8.150 nan 0.000 0.442 149 E N -0.246 119.968 120.200 0.023 0.000 2.110 149 E HA -0.126 4.224 4.350 0.001 0.000 0.193 149 E C 2.285 178.884 176.600 -0.002 0.000 0.988 149 E CA 0.926 57.332 56.400 0.010 0.000 0.804 149 E CB -0.267 29.438 29.700 0.009 0.000 0.745 149 E HN 0.617 nan 8.360 nan 0.000 0.458 150 A N 1.092 123.907 122.820 -0.009 0.000 1.898 150 A HA -0.150 4.171 4.320 0.001 0.000 0.216 150 A C 2.137 179.701 177.584 -0.034 0.000 1.181 150 A CA 0.913 52.935 52.037 -0.024 0.000 0.620 150 A CB -0.433 18.547 19.000 -0.033 0.000 0.819 150 A HN 0.205 nan 8.150 nan 0.000 0.442 151 L N -0.208 120.993 121.223 -0.037 0.000 2.056 151 L HA -0.049 4.292 4.340 0.001 0.000 0.207 151 L C 2.282 179.135 176.870 -0.028 0.000 1.078 151 L CA 1.436 56.247 54.840 -0.048 0.000 0.749 151 L CB -0.485 41.545 42.059 -0.050 0.000 0.901 151 L HN 0.402 nan 8.230 nan 0.000 0.433 152 L N -1.391 119.826 121.223 -0.011 0.000 2.013 152 L HA -0.265 4.075 4.340 0.001 0.000 0.212 152 L C 2.495 179.353 176.870 -0.020 0.000 1.073 152 L CA 1.038 55.871 54.840 -0.011 0.000 0.753 152 L CB -0.729 41.328 42.059 -0.002 0.000 0.890 152 L HN 0.323 nan 8.230 nan 0.000 0.432 153 L N 0.116 121.328 121.223 -0.019 0.000 2.017 153 L HA -0.238 4.103 4.340 0.001 0.000 0.208 153 L C 2.531 179.391 176.870 -0.017 0.000 1.073 153 L CA 1.964 56.792 54.840 -0.020 0.000 0.745 153 L CB -0.831 41.217 42.059 -0.017 0.000 0.894 153 L HN 0.318 nan 8.230 nan 0.000 0.432 154 E N -0.574 119.613 120.200 -0.021 0.000 2.038 154 E HA -0.178 4.172 4.350 0.001 0.000 0.195 154 E C 2.126 178.727 176.600 0.003 0.000 1.000 154 E CA 1.821 58.212 56.400 -0.016 0.000 0.803 154 E CB -0.209 29.466 29.700 -0.042 0.000 0.750 154 E HN 0.274 nan 8.360 nan 0.000 0.448 155 V N 0.133 120.037 119.914 -0.017 0.000 2.427 155 V HA -0.216 3.905 4.120 0.001 0.000 0.248 155 V C 2.426 178.529 176.094 0.014 0.000 1.051 155 V CA 1.780 64.079 62.300 -0.003 0.000 1.048 155 V CB -0.626 31.178 31.823 -0.031 0.000 0.666 155 V HN 0.247 nan 8.190 nan 0.000 0.456 156 S N -0.330 115.356 115.700 -0.023 0.000 2.370 156 S HA -0.263 4.208 4.470 0.001 0.000 0.226 156 S C 2.459 177.028 174.600 -0.053 0.000 1.033 156 S CA 2.176 60.342 58.200 -0.058 0.000 1.011 156 S CB -0.376 62.791 63.200 -0.055 0.000 0.852 156 S HN 0.724 nan 8.310 nan 0.000 0.457 157 R N 0.113 120.604 120.500 -0.013 0.000 2.075 157 R HA -0.029 4.312 4.340 0.001 0.000 0.232 157 R C 1.976 178.279 176.300 0.005 0.000 1.126 157 R CA 1.902 57.996 56.100 -0.009 0.000 0.963 157 R CB -1.818 28.486 30.300 0.007 0.000 0.858 157 R HN 0.652 nan 8.270 nan 0.000 0.435 158 Y N 1.931 122.187 120.300 -0.073 0.000 2.128 158 Y HA -0.212 4.338 4.550 0.001 0.000 0.284 158 Y C 2.586 178.430 175.900 -0.093 0.000 1.154 158 Y CA 2.533 60.593 58.100 -0.067 0.000 1.149 158 Y CB -0.342 38.081 38.460 -0.061 0.000 0.976 158 Y HN 0.314 nan 8.280 nan 0.000 0.505 159 T N -0.963 113.552 114.554 -0.064 0.000 2.652 159 T HA -0.285 4.066 4.350 0.001 0.000 0.267 159 T C 2.023 176.561 174.700 -0.270 0.000 1.039 159 T CA 1.653 63.592 62.100 -0.269 0.000 1.153 159 T CB -1.166 67.467 68.868 -0.392 0.000 0.863 159 T HN 0.575 nan 8.240 nan 0.000 0.428 160 c N 1.941 120.425 118.600 -0.194 0.000 2.446 160 c HA 0.028 4.599 4.570 0.001 0.000 0.279 160 c C 2.909 176.957 174.090 -0.070 0.000 1.366 160 c CA 0.984 57.247 56.329 -0.109 0.000 1.763 160 c CB -1.548 40.899 42.510 -0.105 0.000 1.929 160 c HN 0.760 nan 8.230 nan 0.000 0.509 161 D N -0.060 120.269 120.400 -0.118 0.000 2.144 161 D HA -0.073 4.567 4.640 0.001 0.000 0.200 161 D C 1.949 178.170 176.300 -0.131 0.000 0.978 161 D CA 1.357 55.283 54.000 -0.123 0.000 0.833 161 D CB -0.510 40.196 40.800 -0.157 0.000 0.961 161 D HN 0.589 nan 8.370 nan 0.000 0.470 162 L N -0.119 121.001 121.223 -0.171 0.000 2.131 162 L HA -0.032 4.308 4.340 0.001 0.000 0.210 162 L C 3.346 180.213 176.870 -0.005 0.000 1.092 162 L CA 1.053 55.824 54.840 -0.115 0.000 0.759 162 L CB -0.324 41.685 42.059 -0.084 0.000 0.903 162 L HN 0.370 nan 8.230 nan 0.000 0.435 163 A N -0.695 122.178 122.820 0.088 0.000 1.978 163 A HA -0.286 4.035 4.320 0.001 0.000 0.220 163 A C 2.210 179.795 177.584 0.003 0.000 1.170 163 A CA 1.621 53.703 52.037 0.075 0.000 0.636 163 A CB -0.484 18.585 19.000 0.115 0.000 0.810 163 A HN 0.478 nan 8.150 nan 0.000 0.448 164 Q N -1.473 118.319 119.800 -0.014 0.000 2.364 164 Q HA -0.103 4.237 4.340 0.001 0.000 0.207 164 Q C 1.889 177.873 176.000 -0.027 0.000 0.970 164 Q CA 1.107 56.896 55.803 -0.023 0.000 0.888 164 Q CB -0.130 28.590 28.738 -0.029 0.000 0.951 164 Q HN 0.690 nan 8.270 nan 0.000 0.469 165 R N -0.490 119.989 120.500 -0.034 0.000 2.466 165 R HA 0.290 4.631 4.340 0.001 0.000 0.279 165 R C 1.094 177.373 176.300 -0.035 0.000 0.976 165 R CA 0.811 56.892 56.100 -0.031 0.000 1.081 165 R CB -0.256 30.025 30.300 -0.031 0.000 1.215 165 R HN 0.407 nan 8.270 nan 0.000 0.546 166 G N -1.074 107.701 108.800 -0.042 0.000 2.213 166 G HA2 -0.209 3.752 3.960 0.001 0.000 0.226 166 G HA3 -0.209 3.752 3.960 0.001 0.000 0.226 166 G C 0.356 175.202 174.900 -0.089 0.000 0.992 166 G CA 0.027 45.096 45.100 -0.053 0.000 0.632 166 G HN 0.692 nan 8.290 nan 0.000 0.511 167 V N 2.199 122.038 119.914 -0.124 0.000 2.585 167 V HA 0.452 4.573 4.120 0.001 0.000 0.296 167 V C 1.636 177.552 176.094 -0.296 0.000 1.035 167 V CA 1.557 63.702 62.300 -0.257 0.000 1.084 167 V CB 1.236 32.829 31.823 -0.383 0.000 0.953 167 V HN 0.847 nan 8.190 nan 0.000 0.483 168 T N 1.761 116.131 114.554 -0.306 0.000 3.004 168 T HA 0.333 4.683 4.350 0.001 0.000 0.266 168 T C -0.244 174.314 174.700 -0.237 0.000 0.986 168 T CA -0.089 61.888 62.100 -0.205 0.000 0.902 168 T CB 0.262 69.072 68.868 -0.097 0.000 1.118 168 T HN 0.305 nan 8.240 nan 0.000 0.522 169 L N 1.298 122.285 121.223 -0.393 0.000 2.439 169 L HA 0.763 5.104 4.340 0.001 0.000 0.270 169 L C -1.949 174.683 176.870 -0.397 0.000 0.972 169 L CA -1.299 53.392 54.840 -0.249 0.000 0.836 169 L CB 1.396 43.395 42.059 -0.100 0.000 1.255 169 L HN 0.111 nan 8.230 nan 0.000 0.404 170 F N 2.446 122.417 119.950 0.034 0.000 2.483 170 F HA 0.877 5.405 4.527 0.001 0.000 0.329 170 F C 0.966 176.800 175.800 0.057 0.000 1.064 170 F CA -0.386 57.636 58.000 0.036 0.000 0.986 170 F CB 2.270 41.283 39.000 0.021 0.000 1.218 170 F HN 0.579 nan 8.300 nan 0.000 0.484 171 G N 0.347 109.308 108.800 0.269 0.000 2.591 171 G HA2 0.603 4.563 3.960 0.001 0.000 0.306 171 G HA3 0.603 4.563 3.960 0.001 0.000 0.306 171 G C -1.701 173.306 174.900 0.179 0.000 1.334 171 G CA -0.886 44.326 45.100 0.188 0.000 0.981 171 G HN 0.677 nan 8.290 nan 0.000 0.491 172 V N -0.038 119.960 119.914 0.140 0.000 2.667 172 V HA 1.049 5.170 4.120 0.001 0.000 0.308 172 V C 0.383 176.533 176.094 0.093 0.000 1.048 172 V CA -0.202 62.163 62.300 0.108 0.000 0.928 172 V CB 1.326 33.196 31.823 0.077 0.000 1.004 172 V HN 1.362 nan 8.190 nan 0.000 0.444 173 G N 2.727 111.577 108.800 0.082 0.000 2.649 173 G HA2 0.796 4.757 3.960 0.001 0.000 0.290 173 G HA3 0.796 4.757 3.960 0.001 0.000 0.290 173 G C -1.517 173.421 174.900 0.063 0.000 1.426 173 G CA -0.348 44.795 45.100 0.072 0.000 0.794 173 G HN 1.182 nan 8.290 nan 0.000 0.483 174 E N -1.411 118.825 120.200 0.060 0.000 2.458 174 E HA 0.811 5.162 4.350 0.001 0.000 0.278 174 E C -1.678 174.962 176.600 0.067 0.000 1.004 174 E CA -1.159 55.280 56.400 0.065 0.000 0.823 174 E CB 2.252 31.993 29.700 0.068 0.000 1.396 174 E HN 0.984 nan 8.360 nan 0.000 0.463 175 L N -0.282 120.988 121.223 0.078 0.000 2.639 175 L HA 0.804 5.145 4.340 0.001 0.000 0.264 175 L C -1.281 175.652 176.870 0.106 0.000 0.948 175 L CA 0.544 55.430 54.840 0.076 0.000 0.912 175 L CB 1.881 43.974 42.059 0.057 0.000 1.294 175 L HN 0.938 nan 8.230 nan 0.000 0.412 176 G N 5.493 114.368 108.800 0.125 0.000 2.378 176 G HA2 0.418 4.378 3.960 0.001 0.000 0.306 176 G HA3 0.418 4.378 3.960 0.001 0.000 0.306 176 G C -1.128 173.870 174.900 0.164 0.000 1.413 176 G CA -0.874 44.343 45.100 0.195 0.000 1.123 176 G HN 0.308 nan 8.290 nan 0.000 0.587 177 M N 1.711 121.406 119.600 0.159 0.000 2.248 177 M HA 0.408 4.889 4.480 0.001 0.000 0.345 177 M C 1.376 177.809 176.300 0.221 0.000 1.243 177 M CA 1.003 56.416 55.300 0.187 0.000 1.090 177 M CB 0.286 33.003 32.600 0.195 0.000 1.683 177 M HN 1.948 nan 8.290 nan 0.000 0.450 178 A N 3.169 126.071 122.820 0.138 0.000 3.384 178 A HA -0.235 4.085 4.320 0.001 0.000 0.260 178 A C 1.094 178.538 177.584 -0.234 0.000 1.168 178 A CA 1.161 53.207 52.037 0.014 0.000 1.253 178 A CB -2.402 16.686 19.000 0.146 0.000 1.122 178 A HN 0.917 nan 8.150 nan 0.000 0.934 179 N N 0.913 119.407 118.700 -0.343 0.000 2.573 179 N HA -0.067 4.673 4.740 0.001 0.000 0.187 179 N C 1.131 176.551 175.510 -0.150 0.000 1.107 179 N CA 2.090 54.857 53.050 -0.472 0.000 0.918 179 N CB -1.429 36.875 38.487 -0.304 0.000 0.966 179 N HN 1.084 nan 8.380 nan 0.000 0.448 180 T N -5.192 109.338 114.554 -0.039 0.000 3.085 180 T HA 0.043 4.394 4.350 0.001 0.000 0.263 180 T C 1.515 176.265 174.700 0.082 0.000 1.127 180 T CA 0.893 63.049 62.100 0.094 0.000 1.103 180 T CB -0.559 68.370 68.868 0.101 0.000 0.921 180 T HN 0.080 nan 8.240 nan 0.000 0.510 181 T N 2.838 117.383 114.554 -0.016 0.000 2.770 181 T HA 0.057 4.407 4.350 0.001 0.000 0.258 181 T C -0.467 174.229 174.700 -0.007 0.000 1.039 181 T CA 1.040 63.133 62.100 -0.012 0.000 1.143 181 T CB -0.942 67.899 68.868 -0.046 0.000 0.866 181 T HN 0.403 nan 8.240 nan 0.000 0.428 182 P HA 0.043 nan 4.420 nan 0.000 0.219 182 P C 1.374 178.664 177.300 -0.017 0.000 1.150 182 P CA 1.087 64.173 63.100 -0.023 0.000 0.814 182 P CB -0.146 31.552 31.700 -0.005 0.000 0.787 183 A N 0.887 123.697 122.820 -0.016 0.000 1.908 183 A HA -0.102 4.218 4.320 0.001 0.000 0.218 183 A C 2.511 180.079 177.584 -0.027 0.000 1.181 183 A CA 2.310 54.300 52.037 -0.078 0.000 0.627 183 A CB -1.547 17.376 19.000 -0.129 0.000 0.818 183 A HN 0.235 nan 8.150 nan 0.000 0.445 184 A N -0.249 122.672 122.820 0.168 0.000 1.930 184 A HA 0.195 4.516 4.320 0.001 0.000 0.217 184 A C 2.504 180.137 177.584 0.082 0.000 1.175 184 A CA 1.985 54.164 52.037 0.237 0.000 0.627 184 A CB -1.001 18.124 19.000 0.209 0.000 0.815 184 A HN 1.050 nan 8.150 nan 0.000 0.443 185 A N -0.146 122.686 122.820 0.020 0.000 1.883 185 A HA -0.183 4.138 4.320 0.001 0.000 0.217 185 A C 2.282 179.816 177.584 -0.084 0.000 1.186 185 A CA 1.961 53.979 52.037 -0.033 0.000 0.624 185 A CB -0.606 18.367 19.000 -0.046 0.000 0.822 185 A HN 0.531 nan 8.150 nan 0.000 0.444 186 M N -0.763 118.782 119.600 -0.092 0.000 2.117 186 M HA -0.135 4.346 4.480 0.001 0.000 0.262 186 M C 2.175 178.428 176.300 -0.078 0.000 1.065 186 M CA 1.433 56.636 55.300 -0.162 0.000 1.114 186 M CB -0.712 31.871 32.600 -0.029 0.000 1.361 186 M HN 0.260 nan 8.290 nan 0.000 0.408 187 V N -0.140 119.778 119.914 0.006 0.000 2.343 187 V HA -0.256 3.865 4.120 0.001 0.000 0.247 187 V C 2.607 178.708 176.094 0.012 0.000 1.051 187 V CA 2.185 64.518 62.300 0.054 0.000 1.036 187 V CB -0.685 31.183 31.823 0.075 0.000 0.654 187 V HN 0.541 nan 8.190 nan 0.000 0.451 188 S N -0.373 115.324 115.700 -0.006 0.000 2.359 188 S HA -0.187 4.284 4.470 0.001 0.000 0.224 188 S C 1.994 176.549 174.600 -0.075 0.000 1.035 188 S CA 2.099 60.282 58.200 -0.029 0.000 1.018 188 S CB -0.245 62.943 63.200 -0.021 0.000 0.876 188 S HN 0.322 nan 8.310 nan 0.000 0.448 189 V N 0.963 120.789 119.914 -0.146 0.000 2.295 189 V HA -0.093 4.028 4.120 0.001 0.000 0.246 189 V C 2.210 178.193 176.094 -0.184 0.000 1.049 189 V CA 1.950 64.118 62.300 -0.220 0.000 1.024 189 V CB -0.924 30.669 31.823 -0.383 0.000 0.648 189 V HN 0.489 nan 8.190 nan 0.000 0.447 190 F N 1.123 121.028 119.950 -0.076 0.000 2.206 190 F HA -0.104 4.424 4.527 0.001 0.000 0.298 190 F C 2.627 178.336 175.800 -0.152 0.000 1.090 190 F CA 1.670 59.617 58.000 -0.088 0.000 1.323 190 F CB -1.148 37.802 39.000 -0.084 0.000 1.028 190 F HN 0.336 nan 8.300 nan 0.000 0.492 191 T N -3.811 110.696 114.554 -0.080 0.000 3.044 191 T HA 0.360 4.711 4.350 0.001 0.000 0.250 191 T C 1.699 176.299 174.700 -0.166 0.000 1.081 191 T CA 0.511 62.359 62.100 -0.420 0.000 1.040 191 T CB -0.062 68.320 68.868 -0.810 0.000 0.962 191 T HN 0.414 nan 8.240 nan 0.000 0.506 192 G N 1.106 109.867 108.800 -0.066 0.000 2.160 192 G HA2 -0.233 3.727 3.960 0.001 0.000 0.251 192 G HA3 -0.233 3.727 3.960 0.001 0.000 0.251 192 G C 0.044 174.938 174.900 -0.010 0.000 1.008 192 G CA 0.174 45.262 45.100 -0.019 0.000 0.724 192 G HN 0.729 nan 8.290 nan 0.000 0.514 193 S N -0.385 115.300 115.700 -0.025 0.000 2.585 193 S HA 0.493 4.963 4.470 0.001 0.000 0.277 193 S C 0.097 174.699 174.600 0.004 0.000 1.241 193 S CA -0.334 57.868 58.200 0.004 0.000 1.041 193 S CB 1.709 64.917 63.200 0.013 0.000 0.987 193 S HN 0.490 nan 8.310 nan 0.000 0.512 194 D N 1.072 121.479 120.400 0.011 0.000 2.414 194 D HA 0.354 4.994 4.640 0.001 0.000 0.242 194 D C 1.107 177.413 176.300 0.009 0.000 1.129 194 D CA 0.146 54.150 54.000 0.006 0.000 0.885 194 D CB 0.771 41.575 40.800 0.007 0.000 1.198 194 D HN 0.465 nan 8.370 nan 0.000 0.437 195 A N 3.652 126.473 122.820 0.003 0.000 1.948 195 A HA -0.226 4.095 4.320 0.001 0.000 0.220 195 A C 2.221 179.809 177.584 0.008 0.000 1.177 195 A CA 2.678 54.719 52.037 0.007 0.000 0.636 195 A CB -1.322 17.677 19.000 -0.003 0.000 0.815 195 A HN 0.695 nan 8.150 nan 0.000 0.449 196 K N 0.085 120.486 120.400 0.002 0.000 2.152 196 K HA -0.157 4.164 4.320 0.001 0.000 0.206 196 K C 1.661 178.263 176.600 0.002 0.000 1.048 196 K CA 1.825 58.111 56.287 -0.002 0.000 0.933 196 K CB -0.785 31.714 32.500 -0.003 0.000 0.721 196 K HN 0.803 nan 8.250 nan 0.000 0.447 197 E N -0.057 120.151 120.200 0.013 0.000 2.285 197 E HA -0.033 4.318 4.350 0.001 0.000 0.194 197 E C 1.601 178.219 176.600 0.029 0.000 0.997 197 E CA 1.191 57.604 56.400 0.022 0.000 0.845 197 E CB 0.298 30.018 29.700 0.034 0.000 0.782 197 E HN 0.541 nan 8.360 nan 0.000 0.491 198 V N -2.598 117.339 119.914 0.038 0.000 3.477 198 V HA 0.214 4.334 4.120 0.001 0.000 0.297 198 V C 0.517 176.620 176.094 0.016 0.000 1.433 198 V CA -0.462 61.877 62.300 0.066 0.000 1.052 198 V CB 0.506 32.427 31.823 0.163 0.000 0.895 198 V HN -0.180 nan 8.190 nan 0.000 0.438 199 V N 2.546 122.452 119.914 -0.013 0.000 2.432 199 V HA 0.782 4.903 4.120 0.001 0.000 0.271 199 V C 1.069 177.105 176.094 -0.098 0.000 1.046 199 V CA 0.752 63.028 62.300 -0.039 0.000 0.945 199 V CB 0.573 32.384 31.823 -0.020 0.000 0.992 199 V HN 0.537 nan 8.190 nan 0.000 0.471 200 G N 3.463 112.168 108.800 -0.159 0.000 2.887 200 G HA2 0.540 4.500 3.960 0.001 0.000 0.277 200 G HA3 0.540 4.500 3.960 0.001 0.000 0.277 200 G C 0.613 175.449 174.900 -0.107 0.000 1.346 200 G CA -0.565 44.437 45.100 -0.163 0.000 1.058 200 G HN 0.824 nan 8.290 nan 0.000 0.535 201 I N -1.637 118.879 120.570 -0.090 0.000 3.564 201 I HA 0.333 4.504 4.170 0.001 0.000 0.294 201 I C 1.438 177.526 176.117 -0.048 0.000 1.289 201 I CA 0.456 61.721 61.300 -0.059 0.000 1.325 201 I CB -0.656 37.317 38.000 -0.044 0.000 1.039 201 I HN 0.836 nan 8.210 nan 0.000 0.474 202 G N 2.218 110.982 108.800 -0.059 0.000 2.672 202 G HA2 -0.401 3.560 3.960 0.001 0.000 0.324 202 G HA3 -0.401 3.560 3.960 0.001 0.000 0.324 202 G C 0.437 175.332 174.900 -0.007 0.000 1.286 202 G CA 0.575 45.658 45.100 -0.027 0.000 1.004 202 G HN 1.052 nan 8.290 nan 0.000 0.548 203 A N 0.534 123.359 122.820 0.009 0.000 3.015 203 A HA 0.546 4.867 4.320 0.001 0.000 0.293 203 A C 0.965 178.556 177.584 0.013 0.000 1.572 203 A CA 0.844 52.893 52.037 0.020 0.000 1.274 203 A CB -0.801 18.222 19.000 0.039 0.000 1.156 203 A HN 1.475 nan 8.150 nan 0.000 0.562 204 N N -0.487 118.215 118.700 0.003 0.000 2.727 204 N HA -0.162 4.579 4.740 0.001 0.000 0.249 204 N C -0.367 175.138 175.510 -0.009 0.000 1.048 204 N CA 0.743 53.792 53.050 -0.001 0.000 0.714 204 N CB -1.274 37.217 38.487 0.007 0.000 0.959 204 N HN 0.641 nan 8.380 nan 0.000 0.544 205 L N 0.973 122.184 121.223 -0.019 0.000 2.410 205 L HA 0.325 4.666 4.340 0.001 0.000 0.273 205 L C -1.673 175.179 176.870 -0.029 0.000 1.152 205 L CA -0.913 53.909 54.840 -0.031 0.000 0.855 205 L CB 0.216 42.249 42.059 -0.043 0.000 1.129 205 L HN -0.032 nan 8.230 nan 0.000 0.463 206 P HA 0.134 nan 4.420 nan 0.000 0.266 206 P C -2.163 175.119 177.300 -0.029 0.000 1.195 206 P CA -0.431 62.654 63.100 -0.026 0.000 0.768 206 P CB 0.128 31.812 31.700 -0.026 0.000 0.838 207 P HA -0.196 nan 4.420 nan 0.000 0.221 207 P C 1.491 178.775 177.300 -0.026 0.000 1.145 207 P CA 1.790 64.875 63.100 -0.025 0.000 0.795 207 P CB -0.367 31.321 31.700 -0.021 0.000 0.775 208 S N -1.758 113.927 115.700 -0.026 0.000 2.489 208 S HA 0.087 4.558 4.470 0.001 0.000 0.228 208 S C 2.038 176.618 174.600 -0.033 0.000 0.995 208 S CA 1.268 59.452 58.200 -0.026 0.000 0.934 208 S CB -0.567 62.619 63.200 -0.024 0.000 0.771 208 S HN 0.440 nan 8.310 nan 0.000 0.522 209 R N 0.891 121.368 120.500 -0.039 0.000 2.334 209 R HA 0.569 4.910 4.340 0.001 0.000 0.216 209 R C 1.679 177.949 176.300 -0.050 0.000 0.905 209 R CA 0.499 56.570 56.100 -0.049 0.000 1.064 209 R CB -1.282 28.982 30.300 -0.061 0.000 1.046 209 R HN 0.662 nan 8.270 nan 0.000 0.508 210 I N 0.779 121.324 120.570 -0.042 0.000 2.315 210 I HA -0.209 3.962 4.170 0.001 0.000 0.248 210 I C 1.300 177.394 176.117 -0.038 0.000 1.117 210 I CA 1.278 62.553 61.300 -0.042 0.000 1.404 210 I CB -0.054 37.924 38.000 -0.037 0.000 1.071 210 I HN 0.249 nan 8.210 nan 0.000 0.419 211 D N 0.728 121.108 120.400 -0.034 0.000 2.123 211 D HA -0.224 4.417 4.640 0.001 0.000 0.196 211 D C 1.916 178.196 176.300 -0.034 0.000 0.992 211 D CA 1.142 55.124 54.000 -0.030 0.000 0.833 211 D CB -0.545 40.239 40.800 -0.027 0.000 0.954 211 D HN 0.361 nan 8.370 nan 0.000 0.455 212 N N 0.907 119.582 118.700 -0.041 0.000 2.120 212 N HA -0.195 4.545 4.740 0.001 0.000 0.188 212 N C 1.715 177.195 175.510 -0.049 0.000 1.024 212 N CA 1.007 54.029 53.050 -0.047 0.000 0.852 212 N CB 0.048 38.499 38.487 -0.059 0.000 1.003 212 N HN 0.095 nan 8.380 nan 0.000 0.424 213 K N 0.579 120.947 120.400 -0.053 0.000 2.057 213 K HA -0.075 4.246 4.320 0.001 0.000 0.207 213 K C 2.050 178.628 176.600 -0.037 0.000 1.049 213 K CA 1.078 57.335 56.287 -0.051 0.000 0.931 213 K CB 0.023 32.491 32.500 -0.053 0.000 0.714 213 K HN -0.003 nan 8.250 nan 0.000 0.440 214 V N 1.540 121.436 119.914 -0.031 0.000 2.343 214 V HA -0.269 3.851 4.120 0.001 0.000 0.247 214 V C 2.462 178.543 176.094 -0.023 0.000 1.051 214 V CA 2.526 64.812 62.300 -0.023 0.000 1.036 214 V CB -1.043 30.768 31.823 -0.021 0.000 0.654 214 V HN 0.669 nan 8.190 nan 0.000 0.451 215 D N -0.624 119.760 120.400 -0.026 0.000 2.117 215 D HA -0.166 4.474 4.640 0.001 0.000 0.197 215 D C 2.140 178.424 176.300 -0.026 0.000 0.987 215 D CA 1.728 55.713 54.000 -0.025 0.000 0.829 215 D CB -0.476 40.308 40.800 -0.026 0.000 0.961 215 D HN 0.270 nan 8.370 nan 0.000 0.460 216 V N 0.514 120.409 119.914 -0.031 0.000 2.343 216 V HA -0.203 3.918 4.120 0.001 0.000 0.247 216 V C 2.962 179.040 176.094 -0.027 0.000 1.051 216 V CA 1.568 63.849 62.300 -0.032 0.000 1.036 216 V CB -0.176 31.622 31.823 -0.041 0.000 0.654 216 V HN 0.518 nan 8.190 nan 0.000 0.451 217 V N -0.211 119.688 119.914 -0.025 0.000 2.343 217 V HA -0.257 3.863 4.120 0.001 0.000 0.247 217 V C 2.579 178.658 176.094 -0.024 0.000 1.051 217 V CA 2.086 64.373 62.300 -0.021 0.000 1.036 217 V CB -0.770 31.047 31.823 -0.011 0.000 0.654 217 V HN 0.471 nan 8.190 nan 0.000 0.451 218 R N -0.378 120.109 120.500 -0.022 0.000 2.081 218 R HA -0.133 4.208 4.340 0.001 0.000 0.235 218 R C 2.551 178.837 176.300 -0.024 0.000 1.131 218 R CA 1.499 57.585 56.100 -0.023 0.000 0.960 218 R CB -0.336 29.953 30.300 -0.019 0.000 0.856 218 R HN 0.437 nan 8.270 nan 0.000 0.436 219 R N 0.257 120.743 120.500 -0.023 0.000 2.081 219 R HA -0.087 4.253 4.340 0.001 0.000 0.235 219 R C 2.356 178.641 176.300 -0.024 0.000 1.131 219 R CA 1.450 57.537 56.100 -0.022 0.000 0.960 219 R CB -0.371 29.916 30.300 -0.021 0.000 0.856 219 R HN 0.218 nan 8.270 nan 0.000 0.436 220 A N 0.963 123.767 122.820 -0.027 0.000 1.908 220 A HA -0.187 4.133 4.320 0.001 0.000 0.218 220 A C 2.125 179.687 177.584 -0.037 0.000 1.181 220 A CA 1.463 53.482 52.037 -0.030 0.000 0.627 220 A CB -0.534 18.447 19.000 -0.031 0.000 0.818 220 A HN 0.222 nan 8.150 nan 0.000 0.445 221 I N -0.529 120.016 120.570 -0.041 0.000 2.202 221 I HA -0.221 3.950 4.170 0.001 0.000 0.242 221 I C 2.998 179.092 176.117 -0.040 0.000 1.091 221 I CA 0.959 62.229 61.300 -0.049 0.000 1.368 221 I CB -0.404 37.564 38.000 -0.053 0.000 1.058 221 I HN 0.344 nan 8.210 nan 0.000 0.410 222 A N 1.076 123.878 122.820 -0.031 0.000 1.883 222 A HA -0.196 4.125 4.320 0.001 0.000 0.217 222 A C 2.315 179.885 177.584 -0.023 0.000 1.186 222 A CA 1.693 53.715 52.037 -0.025 0.000 0.624 222 A CB -0.884 18.104 19.000 -0.021 0.000 0.822 222 A HN 0.394 nan 8.150 nan 0.000 0.444 223 I N -0.290 120.267 120.570 -0.023 0.000 2.353 223 I HA -0.193 3.978 4.170 0.001 0.000 0.248 223 I C 1.916 178.020 176.117 -0.021 0.000 1.119 223 I CA 1.061 62.349 61.300 -0.019 0.000 1.417 223 I CB -0.281 37.709 38.000 -0.017 0.000 1.078 223 I HN 0.365 nan 8.210 nan 0.000 0.421 224 N N 0.095 118.779 118.700 -0.027 0.000 2.409 224 N HA -0.052 4.689 4.740 0.001 0.000 0.174 224 N C -0.032 175.458 175.510 -0.032 0.000 1.037 224 N CA 0.301 53.334 53.050 -0.029 0.000 0.898 224 N CB 0.197 38.663 38.487 -0.036 0.000 1.010 224 N HN 0.194 nan 8.380 nan 0.000 0.445 225 Q N 0.421 120.199 119.800 -0.036 0.000 2.443 225 Q HA -0.125 4.216 4.340 0.001 0.000 0.337 225 Q C -2.393 173.580 176.000 -0.045 0.000 1.401 225 Q CA 0.469 56.249 55.803 -0.037 0.000 0.943 225 Q CB -1.551 27.171 28.738 -0.026 0.000 1.177 225 Q HN 0.431 nan 8.270 nan 0.000 0.394 226 P HA 0.062 nan 4.420 nan 0.000 0.275 226 P C 0.038 177.291 177.300 -0.078 0.000 1.227 226 P CA -0.231 62.822 63.100 -0.079 0.000 0.781 226 P CB 0.654 32.280 31.700 -0.123 0.000 0.906 227 N N 3.885 122.552 118.700 -0.054 0.000 2.406 227 N HA 0.144 4.885 4.740 0.001 0.000 0.251 227 N C -1.736 173.756 175.510 -0.029 0.000 1.069 227 N CA -2.418 50.614 53.050 -0.030 0.000 0.947 227 N CB 0.314 38.798 38.487 -0.005 0.000 1.111 227 N HN 0.132 nan 8.380 nan 0.000 0.497 228 P HA -0.127 nan 4.420 nan 0.000 0.219 228 P C 0.889 178.279 177.300 0.150 0.000 1.146 228 P CA 1.467 64.574 63.100 0.011 0.000 0.808 228 P CB 0.261 31.971 31.700 0.016 0.000 0.779 229 R N -0.418 120.139 120.500 0.095 0.000 2.310 229 R HA 0.068 4.408 4.340 0.001 0.000 0.202 229 R C 0.635 176.993 176.300 0.098 0.000 0.933 229 R CA 0.723 56.882 56.100 0.097 0.000 1.054 229 R CB -1.084 29.251 30.300 0.058 0.000 0.985 229 R HN 0.099 nan 8.270 nan 0.000 0.489 230 D N -0.910 119.554 120.400 0.106 0.000 2.438 230 D HA 0.297 4.938 4.640 0.001 0.000 0.257 230 D C 1.272 177.659 176.300 0.146 0.000 1.148 230 D CA -0.055 54.001 54.000 0.092 0.000 0.902 230 D CB 0.935 41.766 40.800 0.051 0.000 1.062 230 D HN 0.075 nan 8.370 nan 0.000 0.518 231 G N 2.893 111.809 108.800 0.192 0.000 2.469 231 G HA2 -0.232 3.729 3.960 0.001 0.000 0.220 231 G HA3 -0.232 3.729 3.960 0.001 0.000 0.220 231 G C 1.557 176.571 174.900 0.189 0.000 1.136 231 G CA 0.548 45.817 45.100 0.282 0.000 0.759 231 G HN 0.599 nan 8.290 nan 0.000 0.562 232 I N 0.436 121.069 120.570 0.105 0.000 2.353 232 I HA -0.074 4.097 4.170 0.001 0.000 0.248 232 I C 2.351 178.501 176.117 0.055 0.000 1.119 232 I CA 1.245 62.588 61.300 0.072 0.000 1.417 232 I CB -0.181 37.847 38.000 0.048 0.000 1.078 232 I HN 0.123 nan 8.210 nan 0.000 0.421 233 D N 0.796 121.223 120.400 0.045 0.000 2.117 233 D HA -0.152 4.489 4.640 0.001 0.000 0.197 233 D C 2.176 178.471 176.300 -0.007 0.000 0.987 233 D CA 1.214 55.224 54.000 0.016 0.000 0.829 233 D CB 0.174 40.979 40.800 0.009 0.000 0.961 233 D HN 0.045 nan 8.370 nan 0.000 0.460 234 V N 0.417 120.319 119.914 -0.020 0.000 2.295 234 V HA -0.221 3.900 4.120 0.001 0.000 0.246 234 V C 2.668 178.735 176.094 -0.046 0.000 1.049 234 V CA 1.331 63.566 62.300 -0.107 0.000 1.024 234 V CB -0.600 31.035 31.823 -0.314 0.000 0.648 234 V HN 0.302 nan 8.190 nan 0.000 0.447 235 L N 0.941 122.186 121.223 0.037 0.000 2.012 235 L HA -0.211 4.129 4.340 0.001 0.000 0.210 235 L C 2.735 179.621 176.870 0.025 0.000 1.073 235 L CA 2.141 57.011 54.840 0.050 0.000 0.748 235 L CB -0.690 41.419 42.059 0.083 0.000 0.891 235 L HN 0.579 nan 8.230 nan 0.000 0.431 236 S N -1.081 114.634 115.700 0.026 0.000 2.428 236 S HA -0.134 4.336 4.470 0.001 0.000 0.230 236 S C 1.893 176.490 174.600 -0.004 0.000 1.014 236 S CA 0.667 58.881 58.200 0.024 0.000 0.957 236 S CB -0.103 63.118 63.200 0.034 0.000 0.784 236 S HN 0.373 nan 8.310 nan 0.000 0.499 237 K N 0.723 121.112 120.400 -0.018 0.000 2.078 237 K HA 0.133 4.453 4.320 0.001 0.000 0.203 237 K C 1.611 178.186 176.600 -0.042 0.000 1.043 237 K CA 1.363 57.632 56.287 -0.031 0.000 0.960 237 K CB 0.007 32.484 32.500 -0.039 0.000 0.761 237 K HN 0.436 nan 8.250 nan 0.000 0.448 238 V N -2.482 117.401 119.914 -0.053 0.000 3.176 238 V HA 0.388 4.509 4.120 0.001 0.000 0.332 238 V C 0.456 176.527 176.094 -0.037 0.000 1.414 238 V CA -0.322 61.947 62.300 -0.052 0.000 1.133 238 V CB 0.275 32.053 31.823 -0.074 0.000 1.088 238 V HN 0.205 nan 8.190 nan 0.000 0.473 239 G N 0.178 108.963 108.800 -0.025 0.000 2.945 239 G HA2 0.790 4.750 3.960 0.001 0.000 0.156 239 G HA3 0.790 4.750 3.960 0.001 0.000 0.156 239 G C 0.021 174.924 174.900 0.005 0.000 1.375 239 G CA -0.332 44.771 45.100 0.004 0.000 1.039 239 G HN 1.110 nan 8.290 nan 0.000 0.586 240 G N -2.574 106.230 108.800 0.006 0.000 2.623 240 G HA2 0.438 4.399 3.960 0.001 0.000 0.290 240 G HA3 0.438 4.399 3.960 0.001 0.000 0.290 240 G C 0.120 174.983 174.900 -0.061 0.000 1.437 240 G CA -0.635 44.392 45.100 -0.121 0.000 0.798 240 G HN 0.312 nan 8.290 nan 0.000 0.488 241 F N 0.332 120.228 119.950 -0.091 0.000 2.126 241 F HA -0.118 4.410 4.527 0.001 0.000 0.299 241 F C 2.753 178.529 175.800 -0.040 0.000 1.096 241 F CA 1.450 59.407 58.000 -0.072 0.000 1.255 241 F CB 0.140 39.077 39.000 -0.106 0.000 0.997 241 F HN 0.542 nan 8.300 nan 0.000 0.479 242 D N 0.676 121.163 120.400 0.145 0.000 2.097 242 D HA -0.175 4.466 4.640 0.001 0.000 0.195 242 D C 1.929 178.290 176.300 0.100 0.000 0.989 242 D CA 1.074 55.145 54.000 0.118 0.000 0.827 242 D CB -0.962 39.923 40.800 0.141 0.000 0.966 242 D HN 0.114 nan 8.370 nan 0.000 0.456 243 L N 0.537 121.824 121.223 0.108 0.000 2.046 243 L HA -0.083 4.258 4.340 0.001 0.000 0.208 243 L C 2.704 179.614 176.870 0.067 0.000 1.077 243 L CA 0.764 55.648 54.840 0.074 0.000 0.747 243 L CB -0.828 41.274 42.059 0.071 0.000 0.896 243 L HN 0.007 nan 8.230 nan 0.000 0.432 244 V N -0.332 119.634 119.914 0.087 0.000 2.295 244 V HA -0.222 3.899 4.120 0.001 0.000 0.246 244 V C 2.577 178.702 176.094 0.051 0.000 1.049 244 V CA 1.839 64.186 62.300 0.078 0.000 1.024 244 V CB -1.387 30.505 31.823 0.115 0.000 0.648 244 V HN 0.564 nan 8.190 nan 0.000 0.447 245 G N -0.717 108.115 108.800 0.054 0.000 2.440 245 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 245 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 245 G C 1.623 176.531 174.900 0.013 0.000 1.154 245 G CA 1.242 46.355 45.100 0.021 0.000 0.767 245 G HN 0.433 nan 8.290 nan 0.000 0.552 246 M N 0.343 119.958 119.600 0.025 0.000 2.117 246 M HA -0.069 4.412 4.480 0.001 0.000 0.262 246 M C 2.789 179.091 176.300 0.003 0.000 1.065 246 M CA 1.694 57.004 55.300 0.017 0.000 1.114 246 M CB -0.584 32.029 32.600 0.023 0.000 1.361 246 M HN 0.143 nan 8.290 nan 0.000 0.408 247 T N 0.261 114.820 114.554 0.008 0.000 2.788 247 T HA -0.108 4.242 4.350 0.001 0.000 0.268 247 T C 1.795 176.484 174.700 -0.019 0.000 1.044 247 T CA 1.581 63.680 62.100 -0.002 0.000 1.139 247 T CB -0.738 68.138 68.868 0.013 0.000 0.867 247 T HN 0.651 nan 8.240 nan 0.000 0.454 248 G N 0.857 109.647 108.800 -0.017 0.000 2.432 248 G HA2 -0.148 3.812 3.960 0.001 0.000 0.219 248 G HA3 -0.148 3.812 3.960 0.001 0.000 0.219 248 G C 1.673 176.532 174.900 -0.069 0.000 1.135 248 G CA 0.702 45.781 45.100 -0.036 0.000 0.767 248 G HN 0.442 nan 8.290 nan 0.000 0.550 249 V N 1.013 120.884 119.914 -0.071 0.000 2.358 249 V HA -0.184 3.936 4.120 0.001 0.000 0.246 249 V C 2.880 178.873 176.094 -0.168 0.000 1.047 249 V CA 2.011 64.229 62.300 -0.136 0.000 1.035 249 V CB -0.381 31.390 31.823 -0.087 0.000 0.658 249 V HN 0.380 nan 8.190 nan 0.000 0.452 250 M N -0.780 118.767 119.600 -0.090 0.000 2.159 250 M HA -0.145 4.335 4.480 0.001 0.000 0.263 250 M C 2.118 178.364 176.300 -0.090 0.000 1.063 250 M CA 1.873 57.134 55.300 -0.066 0.000 1.110 250 M CB -0.415 32.172 32.600 -0.022 0.000 1.374 250 M HN 0.262 nan 8.290 nan 0.000 0.411 251 L N -0.823 120.348 121.223 -0.088 0.000 2.109 251 L HA -0.044 4.297 4.340 0.001 0.000 0.207 251 L C 2.693 179.480 176.870 -0.138 0.000 1.086 251 L CA 1.108 55.894 54.840 -0.091 0.000 0.760 251 L CB -1.165 40.857 42.059 -0.063 0.000 0.910 251 L HN 0.388 nan 8.230 nan 0.000 0.437 252 G N -0.223 108.478 108.800 -0.164 0.000 2.404 252 G HA2 -0.222 3.739 3.960 0.001 0.000 0.215 252 G HA3 -0.222 3.739 3.960 0.001 0.000 0.215 252 G C 1.779 176.513 174.900 -0.275 0.000 1.174 252 G CA 0.783 45.760 45.100 -0.204 0.000 0.780 252 G HN 0.437 nan 8.290 nan 0.000 0.537 253 A N 1.100 123.710 122.820 -0.351 0.000 1.930 253 A HA 0.313 4.633 4.320 0.001 0.000 0.217 253 A C 2.796 180.180 177.584 -0.334 0.000 1.175 253 A CA 2.160 53.996 52.037 -0.334 0.000 0.627 253 A CB -0.725 18.103 19.000 -0.287 0.000 0.815 253 A HN 0.740 nan 8.150 nan 0.000 0.443 254 A N -0.007 122.585 122.820 -0.381 0.000 1.902 254 A HA -0.143 4.177 4.320 0.001 0.000 0.217 254 A C 2.167 179.385 177.584 -0.610 0.000 1.181 254 A CA 2.090 53.686 52.037 -0.734 0.000 0.623 254 A CB -0.449 18.356 19.000 -0.324 0.000 0.818 254 A HN 0.467 nan 8.150 nan 0.000 0.443 255 R N -0.323 119.990 120.500 -0.312 0.000 2.127 255 R HA -0.114 4.226 4.340 0.001 0.000 0.238 255 R C 1.769 177.954 176.300 -0.193 0.000 1.134 255 R CA 2.094 58.072 56.100 -0.202 0.000 0.975 255 R CB -1.521 28.698 30.300 -0.135 0.000 0.865 255 R HN 0.456 nan 8.270 nan 0.000 0.447 256 c N -0.047 118.427 118.600 -0.209 0.000 2.562 256 c HA 0.325 4.896 4.570 0.001 0.000 0.266 256 c C 1.250 175.259 174.090 -0.134 0.000 1.382 256 c CA 0.732 56.984 56.329 -0.130 0.000 1.742 256 c CB -1.424 41.039 42.510 -0.079 0.000 1.812 256 c HN 0.789 nan 8.230 nan 0.000 0.559 257 G N 0.994 109.605 108.800 -0.314 0.000 2.221 257 G HA2 -0.237 3.723 3.960 0.001 0.000 0.265 257 G HA3 -0.237 3.723 3.960 0.001 0.000 0.265 257 G C -0.214 174.674 174.900 -0.020 0.000 1.041 257 G CA 0.365 45.308 45.100 -0.262 0.000 0.807 257 G HN 0.540 nan 8.290 nan 0.000 0.502 258 L N 0.343 121.528 121.223 -0.064 0.000 2.323 258 L HA 0.639 4.980 4.340 0.001 0.000 0.265 258 L C -1.858 175.170 176.870 0.263 0.000 1.012 258 L CA -2.711 52.226 54.840 0.162 0.000 0.820 258 L CB 2.478 44.682 42.059 0.242 0.000 1.334 258 L HN -0.076 nan 8.230 nan 0.000 0.427 259 P HA 0.184 nan 4.420 nan 0.000 0.278 259 P C -1.248 176.219 177.300 0.278 0.000 1.238 259 P CA -0.232 63.023 63.100 0.259 0.000 0.794 259 P CB 1.685 33.487 31.700 0.169 0.000 0.955 260 V N 3.896 123.951 119.914 0.235 0.000 2.577 260 V HA 0.302 4.423 4.120 0.001 0.000 0.303 260 V C 0.338 176.537 176.094 0.175 0.000 1.042 260 V CA -0.736 61.697 62.300 0.222 0.000 0.872 260 V CB 1.753 33.669 31.823 0.156 0.000 0.998 260 V HN 0.412 nan 8.190 nan 0.000 0.423 261 L N 5.276 126.604 121.223 0.175 0.000 2.276 261 L HA 0.474 4.814 4.340 0.001 0.000 0.286 261 L C 0.033 176.994 176.870 0.152 0.000 1.061 261 L CA -0.157 54.780 54.840 0.162 0.000 0.807 261 L CB 1.104 43.259 42.059 0.161 0.000 1.177 261 L HN 0.476 nan 8.230 nan 0.000 0.429 262 L N 2.276 123.587 121.223 0.146 0.000 2.475 262 L HA 0.187 4.528 4.340 0.001 0.000 0.253 262 L C 0.339 177.312 176.870 0.171 0.000 1.198 262 L CA 0.075 55.002 54.840 0.144 0.000 0.814 262 L CB 0.642 42.797 42.059 0.161 0.000 1.134 262 L HN 0.655 nan 8.230 nan 0.000 0.478 263 D N -0.788 119.695 120.400 0.138 0.000 3.435 263 D HA 0.316 4.957 4.640 0.001 0.000 0.209 263 D C 0.295 176.645 176.300 0.082 0.000 1.157 263 D CA 0.409 54.521 54.000 0.186 0.000 1.322 263 D CB 0.233 41.111 40.800 0.131 0.000 0.924 263 D HN 0.505 nan 8.370 nan 0.000 0.180 264 G N -1.014 107.740 108.800 -0.075 0.000 2.940 264 G HA2 0.203 4.164 3.960 0.001 0.000 0.164 264 G HA3 0.203 4.164 3.960 0.001 0.000 0.164 264 G C 0.534 174.794 174.900 -1.067 0.000 1.326 264 G CA -0.246 44.577 45.100 -0.461 0.000 1.020 264 G HN 0.366 nan 8.290 nan 0.000 0.586 265 F N -0.078 119.339 119.950 -0.888 0.000 2.120 265 F HA -0.155 4.373 4.527 0.001 0.000 0.300 265 F C 2.457 178.015 175.800 -0.403 0.000 1.095 265 F CA 1.238 58.819 58.000 -0.699 0.000 1.249 265 F CB 0.158 39.017 39.000 -0.236 0.000 0.995 265 F HN 0.003 nan 8.300 nan 0.000 0.480 266 L N 0.185 121.254 121.223 -0.256 0.000 2.046 266 L HA -0.205 4.136 4.340 0.001 0.000 0.208 266 L C 2.828 179.561 176.870 -0.228 0.000 1.077 266 L CA 2.081 56.787 54.840 -0.223 0.000 0.747 266 L CB -2.222 39.799 42.059 -0.063 0.000 0.896 266 L HN 0.376 nan 8.230 nan 0.000 0.432 267 S N -1.122 114.445 115.700 -0.222 0.000 2.402 267 S HA -0.195 4.276 4.470 0.001 0.000 0.229 267 S C 2.117 176.686 174.600 -0.052 0.000 1.021 267 S CA 0.723 58.856 58.200 -0.111 0.000 0.974 267 S CB -0.776 62.393 63.200 -0.051 0.000 0.800 267 S HN 0.510 nan 8.310 nan 0.000 0.484 268 Y N 2.640 122.845 120.300 -0.159 0.000 2.181 268 Y HA -0.136 4.414 4.550 0.001 0.000 0.288 268 Y C 3.343 179.119 175.900 -0.207 0.000 1.146 268 Y CA 0.708 58.698 58.100 -0.184 0.000 1.164 268 Y CB -0.490 37.848 38.460 -0.204 0.000 0.982 268 Y HN 0.553 nan 8.280 nan 0.000 0.515 269 S N 0.583 116.184 115.700 -0.165 0.000 2.368 269 S HA -0.198 4.272 4.470 0.001 0.000 0.224 269 S C 2.144 176.730 174.600 -0.024 0.000 1.029 269 S CA 0.783 58.911 58.200 -0.120 0.000 0.988 269 S CB -0.675 62.389 63.200 -0.228 0.000 0.838 269 S HN 0.370 nan 8.310 nan 0.000 0.462 270 A N 1.898 124.694 122.820 -0.039 0.000 1.930 270 A HA 0.377 4.698 4.320 0.001 0.000 0.217 270 A C 2.501 180.066 177.584 -0.032 0.000 1.175 270 A CA 1.584 53.615 52.037 -0.009 0.000 0.627 270 A CB -1.359 17.638 19.000 -0.005 0.000 0.815 270 A HN 0.897 nan 8.150 nan 0.000 0.443 271 A N -0.353 122.448 122.820 -0.032 0.000 1.969 271 A HA 0.057 4.378 4.320 0.001 0.000 0.218 271 A C 2.115 179.619 177.584 -0.134 0.000 1.169 271 A CA 1.242 53.249 52.037 -0.049 0.000 0.635 271 A CB -0.494 18.502 19.000 -0.008 0.000 0.810 271 A HN 0.461 nan 8.150 nan 0.000 0.445 272 L N -0.788 120.323 121.223 -0.187 0.000 2.046 272 L HA -0.197 4.144 4.340 0.001 0.000 0.208 272 L C 3.119 179.556 176.870 -0.721 0.000 1.077 272 L CA 1.084 55.674 54.840 -0.415 0.000 0.747 272 L CB -0.538 41.294 42.059 -0.378 0.000 0.896 272 L HN 0.437 nan 8.230 nan 0.000 0.432 273 A N 0.034 122.549 122.820 -0.509 0.000 1.877 273 A HA -0.199 4.121 4.320 0.001 0.000 0.216 273 A C 2.534 180.007 177.584 -0.186 0.000 1.186 273 A CA 1.829 53.682 52.037 -0.306 0.000 0.620 273 A CB -0.826 18.227 19.000 0.088 0.000 0.822 273 A HN 0.402 nan 8.150 nan 0.000 0.443 274 A N -1.041 121.705 122.820 -0.123 0.000 1.908 274 A HA -0.206 4.115 4.320 0.001 0.000 0.218 274 A C 2.273 179.804 177.584 -0.090 0.000 1.181 274 A CA 1.803 53.794 52.037 -0.076 0.000 0.627 274 A CB -1.298 17.673 19.000 -0.048 0.000 0.818 274 A HN 0.623 nan 8.150 nan 0.000 0.445 275 C N -1.340 117.881 119.300 -0.132 0.000 2.446 275 C HA -0.008 4.453 4.460 0.001 0.000 0.279 275 C C 2.764 177.680 174.990 -0.122 0.000 1.366 275 C CA 1.247 60.198 59.018 -0.111 0.000 1.763 275 C CB -0.898 26.771 27.740 -0.119 0.000 1.929 275 C HN 0.764 nan 8.230 nan 0.000 0.509 276 Q N 1.142 120.826 119.800 -0.194 0.000 2.096 276 Q HA 0.031 4.372 4.340 0.001 0.000 0.197 276 Q C 1.855 177.825 176.000 -0.050 0.000 0.964 276 Q CA 1.650 57.369 55.803 -0.141 0.000 0.838 276 Q CB -0.357 28.249 28.738 -0.220 0.000 0.906 276 Q HN 0.651 nan 8.270 nan 0.000 0.444 277 I N -0.160 120.384 120.570 -0.044 0.000 2.252 277 I HA -0.055 4.116 4.170 0.001 0.000 0.245 277 I C 0.375 176.485 176.117 -0.011 0.000 1.102 277 I CA 0.879 62.174 61.300 -0.009 0.000 1.385 277 I CB 0.021 38.019 38.000 -0.003 0.000 1.064 277 I HN 0.173 nan 8.210 nan 0.000 0.414 278 A N -0.138 122.670 122.820 -0.020 0.000 2.611 278 A HA 0.472 4.792 4.320 0.001 0.000 0.282 278 A C -2.176 175.405 177.584 -0.006 0.000 1.114 278 A CA -0.860 51.172 52.037 -0.008 0.000 0.800 278 A CB 0.413 19.412 19.000 -0.003 0.000 1.325 278 A HN -0.107 nan 8.150 nan 0.000 0.411 279 P HA -0.151 nan 4.420 nan 0.000 0.219 279 P C 1.630 178.937 177.300 0.012 0.000 1.146 279 P CA 1.840 64.935 63.100 -0.008 0.000 0.808 279 P CB 0.330 32.024 31.700 -0.010 0.000 0.779 280 A N -0.833 122.007 122.820 0.032 0.000 2.178 280 A HA -0.101 4.219 4.320 0.001 0.000 0.218 280 A C 2.095 179.767 177.584 0.145 0.000 1.157 280 A CA 1.150 53.230 52.037 0.071 0.000 0.689 280 A CB -1.426 17.620 19.000 0.076 0.000 0.787 280 A HN 0.072 nan 8.150 nan 0.000 0.465 281 V N -0.450 119.530 119.914 0.110 0.000 2.719 281 V HA -0.163 3.958 4.120 0.001 0.000 0.252 281 V C 2.517 178.712 176.094 0.168 0.000 1.065 281 V CA 1.831 64.233 62.300 0.169 0.000 1.086 281 V CB -0.711 31.150 31.823 0.064 0.000 0.700 281 V HN 0.620 nan 8.190 nan 0.000 0.467 282 R N 1.804 122.338 120.500 0.057 0.000 2.134 282 R HA -0.164 4.177 4.340 0.001 0.000 0.248 282 R C -0.170 176.108 176.300 -0.037 0.000 1.143 282 R CA 2.492 58.594 56.100 0.002 0.000 0.957 282 R CB -1.825 28.458 30.300 -0.029 0.000 0.867 282 R HN 0.461 nan 8.270 nan 0.000 0.441 283 P HA -0.128 nan 4.420 nan 0.000 0.228 283 P C 0.320 177.401 177.300 -0.365 0.000 1.151 283 P CA 1.218 64.156 63.100 -0.270 0.000 0.770 283 P CB -0.090 31.383 31.700 -0.380 0.000 0.786 284 Y N -0.505 119.800 120.300 0.009 0.000 2.500 284 Y HA 0.181 4.732 4.550 0.001 0.000 0.270 284 Y C 1.587 177.508 175.900 0.036 0.000 1.134 284 Y CA -0.173 57.942 58.100 0.024 0.000 1.293 284 Y CB -0.311 38.162 38.460 0.022 0.000 1.063 284 Y HN -0.177 nan 8.280 nan 0.000 0.534 285 L N 1.812 123.105 121.223 0.118 0.000 2.349 285 L HA 0.320 4.661 4.340 0.001 0.000 0.275 285 L C -0.482 176.429 176.870 0.068 0.000 1.115 285 L CA -0.085 54.809 54.840 0.089 0.000 0.820 285 L CB 0.886 42.973 42.059 0.047 0.000 1.135 285 L HN 0.004 nan 8.230 nan 0.000 0.445 286 I N 4.808 125.436 120.570 0.096 0.000 2.466 286 I HA 0.357 4.528 4.170 0.001 0.000 0.289 286 I C -2.224 173.955 176.117 0.103 0.000 1.026 286 I CA -2.009 59.360 61.300 0.116 0.000 1.078 286 I CB 2.504 40.611 38.000 0.178 0.000 1.249 286 I HN 0.373 nan 8.210 nan 0.000 0.429 287 P HA 0.186 nan 4.420 nan 0.000 0.276 287 P C -0.143 177.218 177.300 0.102 0.000 1.244 287 P CA -0.213 62.873 63.100 -0.024 0.000 0.801 287 P CB 1.855 33.424 31.700 -0.218 0.000 1.006 288 S N 0.607 116.411 115.700 0.174 0.000 3.036 288 S HA 0.137 4.607 4.470 0.001 0.000 0.194 288 S C 0.852 175.648 174.600 0.328 0.000 0.797 288 S CA -0.048 58.334 58.200 0.303 0.000 0.822 288 S CB -0.676 62.718 63.200 0.323 0.000 0.810 288 S HN 0.757 nan 8.310 nan 0.000 0.629 289 H N -0.233 118.936 119.070 0.166 0.000 2.812 289 H HA 0.631 5.187 4.556 0.001 0.000 0.355 289 H C -1.894 173.536 175.328 0.171 0.000 1.207 289 H CA -1.354 54.798 56.048 0.174 0.000 1.217 289 H CB 0.774 30.637 29.762 0.169 0.000 1.874 289 H HN 0.347 nan 8.280 nan 0.000 0.581 290 F N 1.911 121.798 119.950 -0.104 0.000 2.313 290 F HA 0.251 4.778 4.527 0.001 0.000 0.369 290 F C 0.654 176.391 175.800 -0.105 0.000 1.109 290 F CA -0.444 57.436 58.000 -0.199 0.000 1.132 290 F CB 0.691 39.418 39.000 -0.455 0.000 1.291 290 F HN 0.600 nan 8.300 nan 0.000 0.496 291 S N 3.850 119.620 115.700 0.117 0.000 2.558 291 S HA 0.276 4.746 4.470 0.001 0.000 0.288 291 S C 1.291 176.053 174.600 0.270 0.000 1.318 291 S CA 0.153 58.450 58.200 0.161 0.000 1.056 291 S CB 0.765 63.993 63.200 0.046 0.000 0.853 291 S HN 0.831 nan 8.310 nan 0.000 0.505 292 A N 3.330 126.254 122.820 0.174 0.000 2.235 292 A HA 0.163 4.484 4.320 0.001 0.000 0.208 292 A C 0.778 178.379 177.584 0.028 0.000 1.172 292 A CA 0.327 52.422 52.037 0.098 0.000 0.786 292 A CB -0.418 18.623 19.000 0.069 0.000 0.804 292 A HN 0.867 nan 8.150 nan 0.000 0.479 293 E N 0.431 120.620 120.200 -0.018 0.000 2.414 293 E HA 0.100 4.451 4.350 0.001 0.000 0.263 293 E C 1.137 177.618 176.600 -0.199 0.000 1.000 293 E CA 0.142 56.418 56.400 -0.207 0.000 0.914 293 E CB 0.633 30.052 29.700 -0.469 0.000 0.948 293 E HN 0.312 nan 8.360 nan 0.000 0.444 294 K N 2.754 123.020 120.400 -0.222 0.000 2.074 294 K HA -0.165 4.155 4.320 0.001 0.000 0.209 294 K C 1.393 177.935 176.600 -0.095 0.000 1.048 294 K CA 1.728 57.937 56.287 -0.129 0.000 0.926 294 K CB -0.363 32.066 32.500 -0.118 0.000 0.713 294 K HN 0.644 nan 8.250 nan 0.000 0.444 295 G N -0.672 107.983 108.800 -0.243 0.000 3.026 295 G HA2 0.053 4.014 3.960 0.001 0.000 0.208 295 G HA3 0.053 4.014 3.960 0.001 0.000 0.208 295 G C 1.232 176.308 174.900 0.293 0.000 1.169 295 G CA 0.465 45.582 45.100 0.028 0.000 0.788 295 G HN 0.397 nan 8.290 nan 0.000 0.533 296 A N 1.112 124.074 122.820 0.237 0.000 1.883 296 A HA 0.025 4.346 4.320 0.001 0.000 0.217 296 A C 2.721 180.390 177.584 0.142 0.000 1.186 296 A CA 2.499 54.777 52.037 0.402 0.000 0.624 296 A CB -0.732 18.513 19.000 0.408 0.000 0.822 296 A HN 0.509 nan 8.150 nan 0.000 0.444 297 R N -0.041 120.606 120.500 0.245 0.000 2.091 297 R HA -0.065 4.276 4.340 0.001 0.000 0.238 297 R C 2.084 178.452 176.300 0.113 0.000 1.136 297 R CA 1.871 58.108 56.100 0.230 0.000 0.959 297 R CB -1.461 29.018 30.300 0.299 0.000 0.856 297 R HN 0.660 nan 8.270 nan 0.000 0.437 298 I N 0.436 121.098 120.570 0.153 0.000 2.202 298 I HA -0.183 3.988 4.170 0.001 0.000 0.242 298 I C 3.123 179.361 176.117 0.201 0.000 1.091 298 I CA 1.251 62.664 61.300 0.188 0.000 1.368 298 I CB -0.386 37.717 38.000 0.171 0.000 1.058 298 I HN 0.481 nan 8.210 nan 0.000 0.410 299 A N 0.975 123.884 122.820 0.148 0.000 1.883 299 A HA -0.180 4.140 4.320 0.001 0.000 0.217 299 A C 2.291 179.825 177.584 -0.083 0.000 1.186 299 A CA 1.522 53.604 52.037 0.075 0.000 0.624 299 A CB -0.942 18.158 19.000 0.167 0.000 0.822 299 A HN 0.379 nan 8.150 nan 0.000 0.444 300 L N -0.825 120.227 121.223 -0.285 0.000 2.083 300 L HA -0.188 4.152 4.340 0.001 0.000 0.209 300 L C 3.074 179.817 176.870 -0.210 0.000 1.083 300 L CA 0.960 55.542 54.840 -0.430 0.000 0.752 300 L CB -0.508 41.142 42.059 -0.681 0.000 0.899 300 L HN 0.448 nan 8.230 nan 0.000 0.433 301 A N -0.963 121.799 122.820 -0.097 0.000 1.933 301 A HA -0.226 4.095 4.320 0.001 0.000 0.218 301 A C 2.095 179.590 177.584 -0.148 0.000 1.175 301 A CA 1.384 53.365 52.037 -0.094 0.000 0.628 301 A CB -0.759 18.209 19.000 -0.055 0.000 0.814 301 A HN 0.454 nan 8.150 nan 0.000 0.444 302 H N -1.029 117.998 119.070 -0.072 0.000 2.502 302 H HA 0.117 4.674 4.556 0.001 0.000 0.283 302 H C 1.469 176.743 175.328 -0.089 0.000 1.015 302 H CA 1.089 57.101 56.048 -0.060 0.000 1.298 302 H CB 0.120 29.864 29.762 -0.030 0.000 1.411 302 H HN 0.399 nan 8.280 nan 0.000 0.556 303 L N -0.181 121.019 121.223 -0.038 0.000 2.567 303 L HA 0.022 4.362 4.340 0.001 0.000 0.225 303 L C 1.071 177.876 176.870 -0.108 0.000 1.119 303 L CA -0.040 54.746 54.840 -0.089 0.000 0.871 303 L CB 0.350 42.325 42.059 -0.139 0.000 1.036 303 L HN 0.030 nan 8.230 nan 0.000 0.459 304 S N 0.735 116.365 115.700 -0.117 0.000 3.706 304 S HA -0.198 4.272 4.470 0.001 0.000 0.363 304 S C 0.038 174.563 174.600 -0.125 0.000 0.999 304 S CA 0.577 58.709 58.200 -0.113 0.000 1.143 304 S CB -0.859 62.287 63.200 -0.090 0.000 0.902 304 S HN 0.342 nan 8.310 nan 0.000 0.476 305 M N 1.207 120.704 119.600 -0.172 0.000 2.535 305 M HA 0.617 5.097 4.480 0.001 0.000 0.314 305 M C -0.048 176.117 176.300 -0.225 0.000 1.153 305 M CA 0.058 55.235 55.300 -0.205 0.000 0.924 305 M CB 2.293 34.738 32.600 -0.258 0.000 1.710 305 M HN 0.389 nan 8.290 nan 0.000 0.451 306 E N 2.716 122.791 120.200 -0.207 0.000 2.235 306 E HA 0.581 4.932 4.350 0.001 0.000 0.252 306 E C -2.984 173.477 176.600 -0.232 0.000 0.886 306 E CA -1.940 54.372 56.400 -0.146 0.000 0.767 306 E CB 0.677 30.345 29.700 -0.053 0.000 1.205 306 E HN 0.364 nan 8.360 nan 0.000 0.421 307 P HA 0.096 nan 4.420 nan 0.000 0.268 307 P C -0.013 177.271 177.300 -0.028 0.000 1.208 307 P CA 0.008 63.004 63.100 -0.174 0.000 0.777 307 P CB 0.488 32.145 31.700 -0.073 0.000 0.875 308 Y N 0.246 120.664 120.300 0.196 0.000 2.314 308 Y HA 0.101 4.651 4.550 0.001 0.000 0.294 308 Y C 0.862 176.925 175.900 0.271 0.000 1.119 308 Y CA 0.723 58.940 58.100 0.195 0.000 1.179 308 Y CB -0.245 38.297 38.460 0.136 0.000 1.025 308 Y HN 0.141 nan 8.280 nan 0.000 0.541 309 L N 0.480 121.978 121.223 0.459 0.000 2.307 309 L HA 0.285 4.626 4.340 0.001 0.000 0.284 309 L C -1.096 176.071 176.870 0.496 0.000 1.023 309 L CA -0.986 54.109 54.840 0.425 0.000 0.810 309 L CB 0.748 43.002 42.059 0.326 0.000 1.231 309 L HN 0.085 nan 8.230 nan 0.000 0.423 310 H N 5.115 124.303 119.070 0.198 0.000 2.643 310 H HA 0.385 4.942 4.556 0.001 0.000 0.259 310 H C 0.300 175.709 175.328 0.135 0.000 1.298 310 H CA -0.317 55.832 56.048 0.168 0.000 1.301 310 H CB 0.806 30.615 29.762 0.079 0.000 1.422 310 H HN 0.377 nan 8.280 nan 0.000 0.521 311 M N 0.777 120.519 119.600 0.236 0.000 2.313 311 M HA 0.300 4.780 4.480 0.001 0.000 0.273 311 M C 1.159 177.537 176.300 0.130 0.000 1.049 311 M CA 0.083 55.477 55.300 0.157 0.000 1.004 311 M CB -0.304 32.363 32.600 0.112 0.000 1.461 311 M HN 0.632 nan 8.290 nan 0.000 0.514 312 A N 1.054 123.962 122.820 0.147 0.000 2.798 312 A HA -0.232 4.089 4.320 0.001 0.000 0.282 312 A C 0.411 178.070 177.584 0.126 0.000 1.464 312 A CA 0.834 52.940 52.037 0.114 0.000 0.844 312 A CB -2.214 16.825 19.000 0.065 0.000 1.006 312 A HN 0.547 nan 8.150 nan 0.000 0.577 313 M N -0.886 118.822 119.600 0.181 0.000 2.255 313 M HA 0.457 4.938 4.480 0.001 0.000 0.336 313 M C 1.331 177.745 176.300 0.191 0.000 1.135 313 M CA 0.723 56.099 55.300 0.128 0.000 1.145 313 M CB 0.678 33.266 32.600 -0.020 0.000 1.473 313 M HN 0.503 nan 8.290 nan 0.000 0.462 314 R N 1.714 122.285 120.500 0.119 0.000 2.481 314 R HA 0.161 4.502 4.340 0.001 0.000 0.396 314 R C -0.292 176.053 176.300 0.074 0.000 0.950 314 R CA -0.254 55.911 56.100 0.108 0.000 1.095 314 R CB -0.429 29.912 30.300 0.068 0.000 1.472 314 R HN 0.627 nan 8.270 nan 0.000 0.628 315 L N 0.526 121.789 121.223 0.066 0.000 2.168 315 L HA 0.449 4.789 4.340 0.001 0.000 0.203 315 L C 0.961 177.864 176.870 0.054 0.000 1.078 315 L CA 2.287 57.155 54.840 0.047 0.000 0.780 315 L CB 0.012 42.088 42.059 0.028 0.000 0.939 315 L HN 0.594 nan 8.230 nan 0.000 0.451 316 G N -0.585 108.255 108.800 0.066 0.000 2.508 316 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 316 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 316 G C 0.262 175.195 174.900 0.055 0.000 1.287 316 G CA 0.021 45.161 45.100 0.067 0.000 0.916 316 G HN 0.459 nan 8.290 nan 0.000 0.574 317 E N -1.727 118.507 120.200 0.055 0.000 3.975 317 E HA -0.231 4.119 4.350 0.001 0.000 0.342 317 E C 1.567 178.203 176.600 0.060 0.000 0.677 317 E CA 1.968 58.400 56.400 0.053 0.000 1.238 317 E CB -1.586 28.140 29.700 0.043 0.000 1.665 317 E HN 2.786 nan 8.360 nan 0.000 0.429 318 G N -0.071 108.770 108.800 0.067 0.000 2.131 318 G HA2 -0.355 3.606 3.960 0.001 0.000 0.223 318 G HA3 -0.355 3.606 3.960 0.001 0.000 0.223 318 G C 0.826 175.764 174.900 0.062 0.000 0.990 318 G CA 1.140 46.287 45.100 0.079 0.000 0.671 318 G HN 0.757 nan 8.290 nan 0.000 0.521 319 S N -0.609 115.112 115.700 0.034 0.000 2.382 319 S HA 0.101 4.571 4.470 0.001 0.000 0.228 319 S C 2.463 177.038 174.600 -0.041 0.000 1.027 319 S CA 1.709 59.908 58.200 -0.002 0.000 0.991 319 S CB -0.558 62.630 63.200 -0.020 0.000 0.823 319 S HN 1.495 nan 8.310 nan 0.000 0.469 320 G N 1.414 110.160 108.800 -0.090 0.000 2.403 320 G HA2 0.157 4.118 3.960 0.001 0.000 0.216 320 G HA3 0.157 4.118 3.960 0.001 0.000 0.216 320 G C 1.637 176.584 174.900 0.079 0.000 1.154 320 G CA 0.653 45.653 45.100 -0.167 0.000 0.784 320 G HN 0.735 nan 8.290 nan 0.000 0.538 321 A N 1.316 124.212 122.820 0.126 0.000 1.902 321 A HA 0.249 4.570 4.320 0.001 0.000 0.217 321 A C 2.810 180.456 177.584 0.103 0.000 1.181 321 A CA 2.266 54.387 52.037 0.140 0.000 0.623 321 A CB -0.813 18.269 19.000 0.136 0.000 0.818 321 A HN 0.749 nan 8.150 nan 0.000 0.443 322 A N -0.757 122.108 122.820 0.074 0.000 1.933 322 A HA -0.027 4.294 4.320 0.001 0.000 0.218 322 A C 2.094 179.707 177.584 0.048 0.000 1.175 322 A CA 1.663 53.734 52.037 0.057 0.000 0.628 322 A CB -0.558 18.468 19.000 0.044 0.000 0.814 322 A HN 0.620 nan 8.150 nan 0.000 0.444 323 L N -0.661 120.586 121.223 0.040 0.000 2.201 323 L HA 0.009 4.350 4.340 0.001 0.000 0.212 323 L C 2.411 179.319 176.870 0.064 0.000 1.105 323 L CA 1.845 56.708 54.840 0.038 0.000 0.775 323 L CB -0.357 41.709 42.059 0.013 0.000 0.913 323 L HN 0.322 nan 8.230 nan 0.000 0.440 324 A N -1.679 121.197 122.820 0.093 0.000 2.238 324 A HA 0.032 4.352 4.320 0.001 0.000 0.210 324 A C 2.118 179.746 177.584 0.073 0.000 1.179 324 A CA 0.492 52.596 52.037 0.112 0.000 0.827 324 A CB -0.438 18.679 19.000 0.195 0.000 0.856 324 A HN 0.436 nan 8.150 nan 0.000 0.488 325 M N -0.119 119.519 119.600 0.062 0.000 2.149 325 M HA -0.114 4.367 4.480 0.001 0.000 0.261 325 M C -0.774 175.539 176.300 0.022 0.000 1.064 325 M CA 1.729 57.054 55.300 0.042 0.000 1.102 325 M CB -1.185 31.437 32.600 0.036 0.000 1.369 325 M HN 0.154 nan 8.290 nan 0.000 0.408 326 P HA -0.089 nan 4.420 nan 0.000 0.220 326 P C 1.258 178.554 177.300 -0.006 0.000 1.148 326 P CA 1.173 64.278 63.100 0.009 0.000 0.803 326 P CB -0.134 31.575 31.700 0.014 0.000 0.782 327 I N -1.531 119.027 120.570 -0.019 0.000 2.286 327 I HA -0.172 3.999 4.170 0.001 0.000 0.245 327 I C 2.094 178.160 176.117 -0.085 0.000 1.104 327 I CA 1.162 62.416 61.300 -0.076 0.000 1.397 327 I CB -0.677 37.237 38.000 -0.143 0.000 1.072 327 I HN -0.170 nan 8.210 nan 0.000 0.417 328 V N 1.005 120.890 119.914 -0.048 0.000 2.295 328 V HA -0.258 3.863 4.120 0.001 0.000 0.246 328 V C 2.333 178.421 176.094 -0.009 0.000 1.049 328 V CA 1.880 64.163 62.300 -0.028 0.000 1.024 328 V CB -0.712 31.116 31.823 0.008 0.000 0.648 328 V HN 0.444 nan 8.190 nan 0.000 0.447 329 E N 0.439 120.639 120.200 0.001 0.000 2.153 329 E HA -0.180 4.171 4.350 0.001 0.000 0.194 329 E C 2.294 178.909 176.600 0.025 0.000 0.988 329 E CA 1.202 57.611 56.400 0.015 0.000 0.811 329 E CB -0.304 29.403 29.700 0.012 0.000 0.746 329 E HN 0.620 nan 8.360 nan 0.000 0.466 330 A N 1.665 124.489 122.820 0.007 0.000 1.898 330 A HA -0.065 4.256 4.320 0.001 0.000 0.216 330 A C 2.421 180.020 177.584 0.025 0.000 1.181 330 A CA 1.520 53.564 52.037 0.012 0.000 0.620 330 A CB -0.498 18.495 19.000 -0.011 0.000 0.819 330 A HN 0.284 nan 8.150 nan 0.000 0.442 331 A N -1.121 121.703 122.820 0.006 0.000 1.969 331 A HA -0.133 4.188 4.320 0.001 0.000 0.218 331 A C 2.246 179.875 177.584 0.075 0.000 1.169 331 A CA 1.631 53.681 52.037 0.022 0.000 0.635 331 A CB -1.107 17.883 19.000 -0.017 0.000 0.810 331 A HN 0.597 nan 8.150 nan 0.000 0.445 332 C N -1.213 118.137 119.300 0.082 0.000 2.466 332 C HA 0.160 4.621 4.460 0.001 0.000 0.278 332 C C 3.294 178.448 174.990 0.272 0.000 1.288 332 C CA 0.571 59.689 59.018 0.167 0.000 1.722 332 C CB -1.205 26.623 27.740 0.147 0.000 2.017 332 C HN 0.708 nan 8.230 nan 0.000 0.488 333 A N 0.506 123.430 122.820 0.174 0.000 1.902 333 A HA -0.221 4.099 4.320 0.001 0.000 0.217 333 A C 2.215 179.889 177.584 0.151 0.000 1.181 333 A CA 1.956 54.087 52.037 0.158 0.000 0.623 333 A CB -0.738 18.315 19.000 0.088 0.000 0.818 333 A HN 0.647 nan 8.150 nan 0.000 0.443 334 M N -1.665 118.009 119.600 0.122 0.000 2.065 334 M HA -0.164 4.317 4.480 0.001 0.000 0.259 334 M C 2.106 178.476 176.300 0.116 0.000 1.069 334 M CA 2.403 57.759 55.300 0.094 0.000 1.110 334 M CB -0.363 32.283 32.600 0.076 0.000 1.328 334 M HN 0.409 nan 8.290 nan 0.000 0.405 335 F N 0.645 120.590 119.950 -0.009 0.000 2.095 335 F HA -0.285 4.242 4.527 0.000 0.000 0.298 335 F C 2.313 178.076 175.800 -0.063 0.000 1.104 335 F CA 2.059 60.021 58.000 -0.064 0.000 1.232 335 F CB -0.371 38.491 39.000 -0.229 0.000 0.987 335 F HN 0.321 nan 8.300 nan 0.000 0.475 336 H N -1.078 118.158 119.070 0.277 0.000 2.497 336 H HA 0.132 4.689 4.556 0.001 0.000 0.282 336 H C 1.284 176.657 175.328 0.074 0.000 1.003 336 H CA 1.339 57.481 56.048 0.158 0.000 1.307 336 H CB -0.300 29.568 29.762 0.176 0.000 1.437 336 H HN 0.460 nan 8.280 nan 0.000 0.544 337 N N -0.196 118.607 118.700 0.172 0.000 2.322 337 N HA 0.095 4.835 4.740 0.001 0.000 0.181 337 N C 0.259 175.796 175.510 0.045 0.000 1.088 337 N CA -0.189 52.919 53.050 0.097 0.000 0.885 337 N CB 0.805 39.345 38.487 0.087 0.000 1.013 337 N HN 0.034 nan 8.380 nan 0.000 0.472 338 M N 1.127 120.739 119.600 0.020 0.000 2.240 338 M HA 0.155 4.636 4.480 0.001 0.000 0.333 338 M C 1.058 177.334 176.300 -0.039 0.000 1.110 338 M CA -0.224 55.065 55.300 -0.018 0.000 1.173 338 M CB 0.679 33.252 32.600 -0.044 0.000 1.458 338 M HN 0.073 nan 8.290 nan 0.000 0.458 339 G N 1.429 110.204 108.800 -0.041 0.000 2.588 339 G HA2 0.359 4.320 3.960 0.001 0.000 0.281 339 G HA3 0.359 4.320 3.960 0.001 0.000 0.281 339 G C -0.844 174.005 174.900 -0.084 0.000 1.236 339 G CA -0.569 44.503 45.100 -0.046 0.000 0.969 339 G HN 0.745 nan 8.290 nan 0.000 0.504 340 E N -0.623 119.530 120.200 -0.079 0.000 2.227 340 E HA 0.296 4.646 4.350 0.001 0.000 0.268 340 E C 1.037 177.594 176.600 -0.072 0.000 0.907 340 E CA -0.710 55.629 56.400 -0.103 0.000 0.786 340 E CB 2.549 32.186 29.700 -0.106 0.000 1.191 340 E HN 0.280 nan 8.360 nan 0.000 0.411 341 L N 1.396 122.573 121.223 -0.076 0.000 2.013 341 L HA -0.274 4.067 4.340 0.001 0.000 0.212 341 L C 2.371 179.216 176.870 -0.042 0.000 1.073 341 L CA 1.832 56.639 54.840 -0.054 0.000 0.753 341 L CB -0.496 41.531 42.059 -0.054 0.000 0.890 341 L HN 0.709 nan 8.230 nan 0.000 0.432 342 A N -0.104 122.690 122.820 -0.044 0.000 1.940 342 A HA -0.195 4.125 4.320 0.001 0.000 0.219 342 A C 2.467 180.036 177.584 -0.026 0.000 1.176 342 A CA 1.793 53.811 52.037 -0.032 0.000 0.631 342 A CB -0.708 18.274 19.000 -0.030 0.000 0.814 342 A HN 0.436 nan 8.150 nan 0.000 0.446 343 A N -1.186 121.617 122.820 -0.028 0.000 2.067 343 A HA 0.077 4.398 4.320 0.001 0.000 0.219 343 A C 2.040 179.613 177.584 -0.019 0.000 1.158 343 A CA 1.637 53.662 52.037 -0.021 0.000 0.661 343 A CB -0.333 18.654 19.000 -0.021 0.000 0.801 343 A HN 0.393 nan 8.150 nan 0.000 0.452 344 S N -0.611 115.076 115.700 -0.022 0.000 2.557 344 S HA 0.135 4.605 4.470 0.001 0.000 0.223 344 S C 0.268 174.858 174.600 -0.017 0.000 0.969 344 S CA -0.021 58.168 58.200 -0.018 0.000 0.927 344 S CB -0.420 62.768 63.200 -0.020 0.000 0.806 344 S HN 0.763 nan 8.310 nan 0.000 0.489 345 N N 0.899 119.589 118.700 -0.017 0.000 2.747 345 N HA -0.150 4.590 4.740 0.001 0.000 0.249 345 N C -0.837 174.664 175.510 -0.016 0.000 1.107 345 N CA 0.282 53.323 53.050 -0.015 0.000 0.707 345 N CB -1.147 37.333 38.487 -0.012 0.000 1.054 345 N HN 0.425 nan 8.380 nan 0.000 0.555 346 I N 1.016 121.575 120.570 -0.019 0.000 2.353 346 I HA 0.345 4.515 4.170 0.001 0.000 0.293 346 I C 0.246 176.351 176.117 -0.020 0.000 0.992 346 I CA -0.823 60.466 61.300 -0.019 0.000 1.268 346 I CB 1.432 39.419 38.000 -0.022 0.000 1.387 346 I HN -0.214 nan 8.210 nan 0.000 0.478 347 V N 7.600 127.504 119.914 -0.017 0.000 2.444 347 V HA 0.467 4.588 4.120 0.001 0.000 0.294 347 V C -0.197 175.889 176.094 -0.015 0.000 1.022 347 V CA -0.535 61.755 62.300 -0.016 0.000 0.850 347 V CB 1.781 33.596 31.823 -0.013 0.000 0.992 347 V HN 0.480 nan 8.190 nan 0.000 0.426 348 L N 6.246 127.459 121.223 -0.016 0.000 2.346 348 L HA 0.628 4.969 4.340 0.001 0.000 0.276 348 L C -1.330 175.532 176.870 -0.012 0.000 1.006 348 L CA -1.440 53.392 54.840 -0.014 0.000 0.817 348 L CB 1.801 43.850 42.059 -0.016 0.000 1.272 348 L HN 0.561 nan 8.230 nan 0.000 0.421 349 P HA 0.000 nan 4.420 nan 0.000 0.216 349 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 349 P CB 0.000 31.696 31.700 -0.007 0.000 0.726