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 2gc7_1_M DATA FIRST_RESID 5 DATA SEQUENCE EAETQAQETQ GQAAARAAAA DLAAGQDDEP RILEAPAPDA RRVYVNDPAH DATA SEQUENCE FAAVTQQFVI DGEAGRVIGM IDGGFLPNPV VADDGSFIAH ASTVFSRIAR DATA SEQUENCE GERTDYVEVF DPVTLLPTAD IELPDAPRFL VGTYPWMTSL TPDGKTLLFY DATA SEQUENCE QFSPAPAVGV VDLEGKAFKR MLDVPDcYHI FPTAPDTFFM HcRDGSLAKV DATA SEQUENCE AFGTEGTPEI THTEVFHPED EFLINHPAYS QKAGRLVWPT YTGKIHQIDL DATA SEQUENCE SSGDAKFLPA VEALTEAERA DGWRPGGWQQ VAYHRALDRI YLLVDQRDEW DATA SEQUENCE RHKTASRFVV VLDAKTGERL AKFEMGHEID SINVSQDEKP LLYALSTGDK DATA SEQUENCE TLYIHDAESG EELRSVNQLG HGPQVITTAD MG 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.586 176.600 -0.023 0.000 1.382 5 E CA 0.000 56.387 56.400 -0.021 0.000 0.976 5 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 6 A N 1.502 124.304 122.820 -0.030 0.000 2.337 6 A HA 0.632 4.951 4.320 -0.000 0.000 0.329 6 A C -0.827 176.734 177.584 -0.037 0.000 1.146 6 A CA -0.319 51.701 52.037 -0.028 0.000 0.800 6 A CB 0.980 19.965 19.000 -0.026 0.000 1.220 6 A HN 0.056 nan 8.150 nan 0.000 0.472 7 E N 1.125 121.307 120.200 -0.031 0.000 2.166 7 E HA 0.436 4.786 4.350 -0.000 0.000 0.275 7 E C 0.005 176.584 176.600 -0.036 0.000 0.941 7 E CA -0.555 55.823 56.400 -0.037 0.000 0.784 7 E CB 1.716 31.398 29.700 -0.029 0.000 1.115 7 E HN 0.779 nan 8.360 nan 0.000 0.399 8 T N -0.699 113.825 114.554 -0.049 0.000 2.849 8 T HA 0.007 4.357 4.350 -0.000 0.000 0.284 8 T C 1.164 175.843 174.700 -0.035 0.000 1.004 8 T CA -0.478 61.594 62.100 -0.046 0.000 1.021 8 T CB 1.639 70.463 68.868 -0.073 0.000 1.013 8 T HN 0.587 nan 8.240 nan 0.000 0.527 9 Q N 0.966 120.751 119.800 -0.026 0.000 2.045 9 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 9 Q C 2.437 178.420 176.000 -0.029 0.000 0.991 9 Q CA 2.031 57.820 55.803 -0.023 0.000 0.851 9 Q CB -0.923 27.804 28.738 -0.019 0.000 0.911 9 Q HN 0.930 nan 8.270 nan 0.000 0.418 10 A N 0.869 123.668 122.820 -0.035 0.000 1.892 10 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 10 A C 2.042 179.604 177.584 -0.037 0.000 1.188 10 A CA 2.025 54.040 52.037 -0.036 0.000 0.631 10 A CB -1.024 17.950 19.000 -0.043 0.000 0.822 10 A HN 0.711 nan 8.150 nan 0.000 0.447 11 Q N -0.525 119.248 119.800 -0.044 0.000 2.096 11 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 11 Q C 2.073 178.054 176.000 -0.033 0.000 0.982 11 Q CA 2.063 57.840 55.803 -0.043 0.000 0.850 11 Q CB -0.227 28.479 28.738 -0.053 0.000 0.901 11 Q HN 0.806 nan 8.270 nan 0.000 0.422 12 E N -0.902 119.280 120.200 -0.029 0.000 2.150 12 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 12 E C 1.625 178.213 176.600 -0.020 0.000 0.985 12 E CA 1.571 57.958 56.400 -0.023 0.000 0.814 12 E CB 0.081 29.768 29.700 -0.020 0.000 0.752 12 E HN 0.388 nan 8.360 nan 0.000 0.466 13 T N 0.802 115.343 114.554 -0.021 0.000 2.777 13 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 13 T C 1.759 176.448 174.700 -0.019 0.000 1.040 13 T CA 1.433 63.522 62.100 -0.019 0.000 1.141 13 T CB -0.140 68.717 68.868 -0.020 0.000 0.868 13 T HN 0.282 nan 8.240 nan 0.000 0.444 14 Q N 0.411 120.198 119.800 -0.021 0.000 2.050 14 Q HA -0.003 4.337 4.340 -0.000 0.000 0.202 14 Q C 2.785 178.774 176.000 -0.018 0.000 0.980 14 Q CA 1.386 57.177 55.803 -0.020 0.000 0.840 14 Q CB -0.524 28.200 28.738 -0.024 0.000 0.898 14 Q HN 0.569 nan 8.270 nan 0.000 0.424 15 G N 0.881 109.669 108.800 -0.019 0.000 2.440 15 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 15 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 15 G C 1.276 176.168 174.900 -0.014 0.000 1.154 15 G CA 0.749 45.839 45.100 -0.017 0.000 0.767 15 G HN 0.288 nan 8.290 nan 0.000 0.552 16 Q N 0.109 119.901 119.800 -0.014 0.000 2.079 16 Q HA 0.081 4.421 4.340 -0.000 0.000 0.200 16 Q C 3.015 179.009 176.000 -0.011 0.000 0.974 16 Q CA 1.143 56.939 55.803 -0.012 0.000 0.840 16 Q CB -0.241 28.490 28.738 -0.012 0.000 0.898 16 Q HN 0.472 nan 8.270 nan 0.000 0.430 17 A N 1.119 123.932 122.820 -0.012 0.000 1.902 17 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 17 A C 2.287 179.865 177.584 -0.010 0.000 1.181 17 A CA 1.597 53.628 52.037 -0.011 0.000 0.623 17 A CB -0.783 18.210 19.000 -0.011 0.000 0.818 17 A HN 0.395 nan 8.150 nan 0.000 0.443 18 A N -0.166 122.648 122.820 -0.011 0.000 1.898 18 A HA 0.184 4.504 4.320 -0.000 0.000 0.216 18 A C 2.498 180.077 177.584 -0.008 0.000 1.181 18 A CA 2.004 54.035 52.037 -0.010 0.000 0.620 18 A CB -0.981 18.012 19.000 -0.011 0.000 0.819 18 A HN 1.034 nan 8.150 nan 0.000 0.442 19 A N -0.243 122.572 122.820 -0.009 0.000 1.902 19 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 19 A C 2.237 179.817 177.584 -0.007 0.000 1.181 19 A CA 1.819 53.851 52.037 -0.008 0.000 0.623 19 A CB -0.486 18.509 19.000 -0.008 0.000 0.818 19 A HN 0.556 nan 8.150 nan 0.000 0.443 20 R N -0.425 120.071 120.500 -0.007 0.000 2.081 20 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 20 R C 2.288 178.584 176.300 -0.006 0.000 1.131 20 R CA 1.502 57.598 56.100 -0.006 0.000 0.960 20 R CB -0.410 29.886 30.300 -0.007 0.000 0.856 20 R HN 0.441 nan 8.270 nan 0.000 0.436 21 A N 0.688 123.505 122.820 -0.006 0.000 1.858 21 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 21 A C 2.391 179.972 177.584 -0.005 0.000 1.190 21 A CA 1.674 53.708 52.037 -0.005 0.000 0.617 21 A CB -1.006 17.991 19.000 -0.006 0.000 0.827 21 A HN 0.530 nan 8.150 nan 0.000 0.443 22 A N -0.106 122.711 122.820 -0.005 0.000 1.883 22 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 22 A C 2.530 180.112 177.584 -0.004 0.000 1.186 22 A CA 2.486 54.520 52.037 -0.005 0.000 0.624 22 A CB -1.119 17.878 19.000 -0.005 0.000 0.822 22 A HN 1.118 nan 8.150 nan 0.000 0.444 23 A N -0.292 122.526 122.820 -0.004 0.000 1.877 23 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 23 A C 2.539 180.121 177.584 -0.003 0.000 1.186 23 A CA 2.235 54.270 52.037 -0.004 0.000 0.620 23 A CB -1.097 17.901 19.000 -0.004 0.000 0.822 23 A HN 1.121 nan 8.150 nan 0.000 0.443 24 A N -0.042 122.776 122.820 -0.004 0.000 1.902 24 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 24 A C 1.760 179.342 177.584 -0.003 0.000 1.181 24 A CA 1.954 53.989 52.037 -0.003 0.000 0.623 24 A CB -0.627 18.371 19.000 -0.003 0.000 0.818 24 A HN 0.457 nan 8.150 nan 0.000 0.443 25 D N -0.167 120.232 120.400 -0.003 0.000 2.117 25 D HA -0.133 4.506 4.640 -0.000 0.000 0.197 25 D C 1.902 178.201 176.300 -0.002 0.000 0.987 25 D CA 0.839 54.838 54.000 -0.003 0.000 0.829 25 D CB -0.379 40.419 40.800 -0.003 0.000 0.961 25 D HN 0.387 nan 8.370 nan 0.000 0.460 26 L N 0.464 121.685 121.223 -0.003 0.000 2.017 26 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 26 L C 2.175 179.043 176.870 -0.002 0.000 1.073 26 L CA 1.438 56.277 54.840 -0.002 0.000 0.745 26 L CB -0.286 41.772 42.059 -0.002 0.000 0.894 26 L HN -0.009 nan 8.230 nan 0.000 0.432 27 A N -0.570 122.249 122.820 -0.002 0.000 2.019 27 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 27 A C 2.129 179.712 177.584 -0.002 0.000 1.164 27 A CA 1.423 53.459 52.037 -0.002 0.000 0.644 27 A CB -0.535 18.464 19.000 -0.002 0.000 0.805 27 A HN 0.520 nan 8.150 nan 0.000 0.449 28 A N -1.851 120.968 122.820 -0.002 0.000 2.251 28 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 28 A C 1.686 179.269 177.584 -0.001 0.000 1.187 28 A CA 1.077 53.113 52.037 -0.002 0.000 0.823 28 A CB -0.846 18.153 19.000 -0.002 0.000 0.846 28 A HN 1.820 nan 8.150 nan 0.000 0.486 29 G N -0.968 107.831 108.800 -0.001 0.000 2.143 29 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.249 29 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.249 29 G C -0.020 174.879 174.900 -0.001 0.000 0.981 29 G CA 0.289 45.388 45.100 -0.001 0.000 0.665 29 G HN 0.627 nan 8.290 nan 0.000 0.528 30 Q N 0.990 120.789 119.800 -0.001 0.000 2.267 30 Q HA 0.484 4.824 4.340 -0.000 0.000 0.255 30 Q C -0.051 175.948 176.000 -0.001 0.000 0.923 30 Q CA 0.017 55.819 55.803 -0.001 0.000 0.925 30 Q CB 0.851 29.588 28.738 -0.001 0.000 1.195 30 Q HN 0.649 nan 8.270 nan 0.000 0.417 31 D N 0.372 120.771 120.400 -0.001 0.000 2.326 31 D HA 0.207 4.847 4.640 -0.000 0.000 0.251 31 D C -0.854 175.445 176.300 -0.001 0.000 1.023 31 D CA -0.765 53.234 54.000 -0.001 0.000 0.966 31 D CB 0.859 41.658 40.800 -0.001 0.000 1.156 31 D HN 0.137 nan 8.370 nan 0.000 0.494 32 D N 0.353 120.752 120.400 -0.001 0.000 2.312 32 D HA 0.164 4.804 4.640 -0.000 0.000 0.252 32 D C -0.253 176.046 176.300 -0.001 0.000 1.150 32 D CA -0.128 53.871 54.000 -0.001 0.000 0.870 32 D CB 0.745 41.544 40.800 -0.002 0.000 1.153 32 D HN 0.565 nan 8.370 nan 0.000 0.457 33 E N 1.460 121.659 120.200 -0.001 0.000 2.675 33 E HA 0.409 4.759 4.350 -0.000 0.000 0.236 33 E C -2.505 174.095 176.600 -0.000 0.000 1.059 33 E CA -1.823 54.577 56.400 -0.000 0.000 0.775 33 E CB 0.466 30.166 29.700 -0.000 0.000 1.356 33 E HN 0.035 nan 8.360 nan 0.000 0.403 34 P HA -0.025 nan 4.420 nan 0.000 0.264 34 P C -0.493 176.807 177.300 -0.000 0.000 1.183 34 P CA 0.223 63.322 63.100 -0.001 0.000 0.763 34 P CB 0.478 32.178 31.700 -0.001 0.000 0.807 35 R N 1.231 121.731 120.500 -0.000 0.000 2.781 35 R HA 0.627 4.967 4.340 -0.000 0.000 0.268 35 R C -1.202 175.099 176.300 0.000 0.000 1.047 35 R CA -1.061 55.039 56.100 0.001 0.000 0.925 35 R CB 0.883 31.183 30.300 0.001 0.000 1.246 35 R HN 0.186 nan 8.270 nan 0.000 0.456 36 I N 2.262 122.833 120.570 0.002 0.000 2.315 36 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 36 I C 0.205 176.324 176.117 0.002 0.000 1.006 36 I CA -0.852 60.449 61.300 0.002 0.000 1.265 36 I CB 1.301 39.303 38.000 0.004 0.000 1.387 36 I HN 0.301 nan 8.210 nan 0.000 0.475 37 L N 6.082 127.304 121.223 -0.001 0.000 2.466 37 L HA 0.311 4.651 4.340 -0.000 0.000 0.257 37 L C 0.345 177.216 176.870 0.001 0.000 1.189 37 L CA -0.320 54.519 54.840 -0.001 0.000 0.813 37 L CB 0.364 42.420 42.059 -0.005 0.000 1.118 37 L HN 0.574 nan 8.230 nan 0.000 0.471 38 E N 0.288 120.490 120.200 0.003 0.000 2.195 38 E HA 0.522 4.872 4.350 -0.000 0.000 0.271 38 E C -0.795 175.805 176.600 0.001 0.000 0.923 38 E CA -0.851 55.553 56.400 0.006 0.000 0.790 38 E CB 2.113 31.820 29.700 0.011 0.000 1.155 38 E HN 0.655 nan 8.360 nan 0.000 0.402 39 A N 3.644 126.464 122.820 -0.000 0.000 2.366 39 A HA 0.377 4.697 4.320 -0.000 0.000 0.249 39 A C -2.044 175.538 177.584 -0.004 0.000 1.084 39 A CA -1.056 50.975 52.037 -0.010 0.000 0.794 39 A CB -0.258 18.732 19.000 -0.017 0.000 1.034 39 A HN 0.381 nan 8.150 nan 0.000 0.491 40 P HA 0.282 nan 4.420 nan 0.000 0.272 40 P C -0.069 177.232 177.300 0.002 0.000 1.230 40 P CA 0.103 63.200 63.100 -0.005 0.000 0.788 40 P CB 0.518 32.212 31.700 -0.011 0.000 0.949 41 A N 3.594 126.420 122.820 0.010 0.000 2.561 41 A HA 0.223 4.543 4.320 -0.000 0.000 0.234 41 A C -1.886 175.709 177.584 0.018 0.000 1.055 41 A CA -0.652 51.397 52.037 0.019 0.000 0.756 41 A CB -1.715 17.297 19.000 0.021 0.000 0.986 41 A HN 0.422 nan 8.150 nan 0.000 0.505 42 P HA 0.267 nan 4.420 nan 0.000 0.268 42 P C -0.897 176.421 177.300 0.031 0.000 1.204 42 P CA 0.250 63.373 63.100 0.037 0.000 0.768 42 P CB 0.687 32.426 31.700 0.064 0.000 0.842 43 D N 0.818 121.234 120.400 0.027 0.000 2.744 43 D HA 0.450 5.090 4.640 -0.000 0.000 0.304 43 D C 0.625 176.950 176.300 0.042 0.000 1.179 43 D CA -0.949 53.069 54.000 0.030 0.000 1.024 43 D CB 0.056 40.870 40.800 0.022 0.000 1.453 43 D HN 0.116 nan 8.370 nan 0.000 0.529 44 A N -0.619 122.229 122.820 0.045 0.000 2.070 44 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 44 A C 1.666 179.302 177.584 0.087 0.000 1.159 44 A CA 0.966 53.040 52.037 0.062 0.000 0.656 44 A CB -0.543 18.490 19.000 0.054 0.000 0.800 44 A HN 0.417 nan 8.150 nan 0.000 0.453 45 R N -0.680 119.864 120.500 0.074 0.000 2.317 45 R HA 0.096 4.436 4.340 -0.000 0.000 0.208 45 R C 0.690 177.030 176.300 0.067 0.000 0.914 45 R CA -0.161 56.002 56.100 0.106 0.000 1.060 45 R CB -0.168 30.178 30.300 0.076 0.000 1.015 45 R HN 0.488 nan 8.270 nan 0.000 0.498 46 R N 1.421 121.924 120.500 0.006 0.000 2.490 46 R HA 0.218 4.558 4.340 -0.000 0.000 0.280 46 R C -0.897 175.309 176.300 -0.157 0.000 1.077 46 R CA 0.049 56.081 56.100 -0.114 0.000 1.065 46 R CB 1.015 31.232 30.300 -0.138 0.000 1.003 46 R HN -0.109 nan 8.270 nan 0.000 0.470 47 V N 5.624 125.338 119.914 -0.333 0.000 2.760 47 V HA 0.442 4.562 4.120 -0.000 0.000 0.309 47 V C -1.813 174.041 176.094 -0.400 0.000 1.077 47 V CA -0.696 61.383 62.300 -0.368 0.000 0.910 47 V CB 1.799 33.148 31.823 -0.791 0.000 1.008 47 V HN 0.752 nan 8.190 nan 0.000 0.424 48 Y N 4.341 124.547 120.300 -0.156 0.000 2.360 48 Y HA 0.725 5.275 4.550 -0.000 0.000 0.337 48 Y C 0.103 175.962 175.900 -0.069 0.000 1.039 48 Y CA -0.812 57.237 58.100 -0.086 0.000 1.109 48 Y CB 2.124 40.547 38.460 -0.060 0.000 1.201 48 Y HN 0.421 nan 8.280 nan 0.000 0.458 49 V N 3.755 123.742 119.914 0.121 0.000 2.444 49 V HA 0.355 4.475 4.120 -0.000 0.000 0.294 49 V C -0.812 175.389 176.094 0.177 0.000 1.022 49 V CA -1.076 61.283 62.300 0.099 0.000 0.850 49 V CB 1.496 33.330 31.823 0.018 0.000 0.992 49 V HN 0.731 nan 8.190 nan 0.000 0.426 50 N N 2.563 121.335 118.700 0.120 0.000 2.443 50 N HA 0.483 5.223 4.740 -0.000 0.000 0.295 50 N C -0.981 174.572 175.510 0.072 0.000 1.076 50 N CA -0.498 52.615 53.050 0.104 0.000 0.919 50 N CB 1.480 40.011 38.487 0.072 0.000 1.176 50 N HN 0.726 nan 8.380 nan 0.000 0.487 51 D N 1.729 122.176 120.400 0.078 0.000 2.464 51 D HA 0.282 4.922 4.640 -0.000 0.000 0.243 51 D C -1.975 174.310 176.300 -0.026 0.000 1.104 51 D CA -2.192 51.823 54.000 0.024 0.000 0.883 51 D CB 1.248 42.130 40.800 0.136 0.000 1.050 51 D HN 0.283 nan 8.370 nan 0.000 0.524 52 P HA 0.015 nan 4.420 nan 0.000 0.237 52 P C 0.327 177.554 177.300 -0.121 0.000 1.178 52 P CA 0.382 63.414 63.100 -0.114 0.000 0.766 52 P CB -0.050 31.542 31.700 -0.180 0.000 0.876 53 A N 1.013 123.731 122.820 -0.170 0.000 2.511 53 A HA -0.233 4.087 4.320 -0.000 0.000 0.297 53 A C 0.416 177.914 177.584 -0.143 0.000 1.476 53 A CA 1.111 53.069 52.037 -0.132 0.000 0.757 53 A CB -2.888 16.170 19.000 0.097 0.000 1.072 53 A HN 0.503 nan 8.150 nan 0.000 0.413 54 H N -2.490 116.444 119.070 -0.227 0.000 2.713 54 H HA -0.241 4.315 4.556 -0.000 0.000 0.311 54 H C 0.540 175.747 175.328 -0.203 0.000 1.175 54 H CA 1.678 57.508 56.048 -0.363 0.000 1.143 54 H CB -2.126 27.523 29.762 -0.189 0.000 1.434 54 H HN 1.609 nan 8.280 nan 0.000 0.418 55 F N -4.064 115.938 119.950 0.087 0.000 2.844 55 F HA -0.206 4.321 4.527 0.000 0.000 0.288 55 F C 1.362 177.333 175.800 0.284 0.000 0.732 55 F CA 0.062 58.170 58.000 0.181 0.000 1.378 55 F CB -1.868 37.243 39.000 0.186 0.000 1.597 55 F HN 0.555 nan 8.300 nan 0.000 0.376 56 A N 0.277 123.286 122.820 0.315 0.000 2.386 56 A HA 0.685 5.005 4.320 -0.000 0.000 0.248 56 A C 1.493 179.261 177.584 0.306 0.000 1.082 56 A CA 0.262 52.429 52.037 0.218 0.000 0.789 56 A CB 0.445 19.506 19.000 0.101 0.000 1.025 56 A HN 0.954 nan 8.150 nan 0.000 0.490 57 A N 0.998 123.907 122.820 0.149 0.000 1.972 57 A HA 0.249 4.569 4.320 -0.000 0.000 0.219 57 A C 1.049 178.772 177.584 0.233 0.000 1.169 57 A CA 1.867 53.987 52.037 0.138 0.000 0.635 57 A CB -1.014 17.979 19.000 -0.012 0.000 0.810 57 A HN 1.914 nan 8.150 nan 0.000 0.446 58 V N -3.105 116.909 119.914 0.167 0.000 2.769 58 V HA 0.808 4.928 4.120 -0.000 0.000 0.312 58 V C -0.397 175.773 176.094 0.127 0.000 1.061 58 V CA -0.043 62.343 62.300 0.143 0.000 0.931 58 V CB 1.383 33.268 31.823 0.104 0.000 1.010 58 V HN 0.544 nan 8.190 nan 0.000 0.433 59 T N 1.262 115.874 114.554 0.097 0.000 2.804 59 T HA 0.790 5.140 4.350 -0.000 0.000 0.290 59 T C -0.860 173.854 174.700 0.022 0.000 1.099 59 T CA -0.814 61.328 62.100 0.070 0.000 1.011 59 T CB 2.211 71.107 68.868 0.046 0.000 1.291 59 T HN 0.867 nan 8.240 nan 0.000 0.523 60 Q N -0.180 119.610 119.800 -0.017 0.000 2.421 60 Q HA 0.531 4.871 4.340 -0.000 0.000 0.280 60 Q C -1.511 174.378 176.000 -0.186 0.000 1.085 60 Q CA -0.842 54.864 55.803 -0.163 0.000 0.807 60 Q CB 3.050 31.594 28.738 -0.323 0.000 1.405 60 Q HN 0.746 nan 8.270 nan 0.000 0.419 61 Q N 1.546 121.175 119.800 -0.286 0.000 2.353 61 Q HA 0.528 4.868 4.340 -0.000 0.000 0.268 61 Q C -1.677 174.117 176.000 -0.344 0.000 1.045 61 Q CA -0.526 55.186 55.803 -0.151 0.000 0.811 61 Q CB 1.125 29.841 28.738 -0.036 0.000 1.305 61 Q HN 0.504 nan 8.270 nan 0.000 0.447 62 F N 2.157 122.080 119.950 -0.045 0.000 2.427 62 F HA 0.413 4.940 4.527 -0.000 0.000 0.346 62 F C -0.268 175.456 175.800 -0.127 0.000 1.120 62 F CA -0.800 57.147 58.000 -0.088 0.000 1.033 62 F CB 1.720 40.656 39.000 -0.108 0.000 1.126 62 F HN 0.206 nan 8.300 nan 0.000 0.462 63 V N 5.484 125.373 119.914 -0.042 0.000 2.383 63 V HA 0.425 4.545 4.120 -0.000 0.000 0.275 63 V C 0.054 176.027 176.094 -0.202 0.000 1.036 63 V CA -0.548 61.599 62.300 -0.256 0.000 0.889 63 V CB 1.017 32.687 31.823 -0.256 0.000 0.985 63 V HN 0.559 nan 8.190 nan 0.000 0.459 64 I N 3.383 123.787 120.570 -0.277 0.000 2.569 64 I HA 0.391 4.561 4.170 -0.000 0.000 0.296 64 I C -0.626 175.380 176.117 -0.185 0.000 1.028 64 I CA -0.632 60.556 61.300 -0.188 0.000 1.082 64 I CB 2.331 40.231 38.000 -0.167 0.000 1.264 64 I HN 0.490 nan 8.210 nan 0.000 0.429 65 D N 4.360 124.693 120.400 -0.112 0.000 2.365 65 D HA 0.188 4.828 4.640 -0.000 0.000 0.237 65 D C 1.140 177.424 176.300 -0.026 0.000 1.190 65 D CA -0.174 53.784 54.000 -0.070 0.000 0.867 65 D CB 1.617 42.387 40.800 -0.050 0.000 1.050 65 D HN 0.702 nan 8.370 nan 0.000 0.491 66 G N 3.586 112.399 108.800 0.022 0.000 2.448 66 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 66 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 66 G C 1.277 176.231 174.900 0.090 0.000 1.127 66 G CA 0.221 45.405 45.100 0.141 0.000 0.766 66 G HN 0.457 nan 8.290 nan 0.000 0.552 67 E N 0.578 120.806 120.200 0.046 0.000 2.072 67 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 67 E C 2.751 179.353 176.600 0.003 0.000 0.985 67 E CA 1.076 57.487 56.400 0.019 0.000 0.801 67 E CB -0.151 29.556 29.700 0.011 0.000 0.750 67 E HN 0.366 nan 8.360 nan 0.000 0.452 68 A N -0.557 122.261 122.820 -0.004 0.000 2.147 68 A HA 0.303 4.623 4.320 -0.000 0.000 0.211 68 A C 1.429 179.000 177.584 -0.022 0.000 1.160 68 A CA 0.974 53.002 52.037 -0.015 0.000 0.781 68 A CB 0.069 19.057 19.000 -0.019 0.000 0.842 68 A HN 0.239 nan 8.150 nan 0.000 0.475 69 G N -0.323 108.466 108.800 -0.019 0.000 2.324 69 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.292 69 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.292 69 G C -0.024 174.845 174.900 -0.052 0.000 1.079 69 G CA 0.523 45.602 45.100 -0.034 0.000 1.026 69 G HN 0.824 nan 8.290 nan 0.000 0.506 70 R N -0.334 120.135 120.500 -0.051 0.000 2.628 70 R HA 0.564 4.904 4.340 -0.000 0.000 0.288 70 R C -0.157 176.109 176.300 -0.056 0.000 0.980 70 R CA -0.834 55.235 56.100 -0.052 0.000 0.891 70 R CB 1.753 32.029 30.300 -0.040 0.000 1.188 70 R HN 0.142 nan 8.270 nan 0.000 0.450 71 V N 6.856 126.743 119.914 -0.045 0.000 2.470 71 V HA 0.088 4.208 4.120 -0.000 0.000 0.276 71 V C 1.330 177.406 176.094 -0.031 0.000 1.040 71 V CA 0.168 62.454 62.300 -0.023 0.000 1.008 71 V CB 0.875 32.716 31.823 0.031 0.000 0.990 71 V HN 0.748 nan 8.190 nan 0.000 0.477 72 I N 1.875 122.413 120.570 -0.053 0.000 4.018 72 I HA 0.707 4.877 4.170 -0.000 0.000 0.337 72 I C 0.696 176.780 176.117 -0.056 0.000 1.327 72 I CA 0.151 61.418 61.300 -0.054 0.000 1.100 72 I CB 0.488 38.448 38.000 -0.067 0.000 1.025 72 I HN 0.639 nan 8.210 nan 0.000 0.396 73 G N 1.078 109.841 108.800 -0.061 0.000 2.368 73 G HA2 0.562 4.522 3.960 -0.000 0.000 0.293 73 G HA3 0.562 4.522 3.960 -0.000 0.000 0.293 73 G C -1.639 173.198 174.900 -0.105 0.000 1.467 73 G CA -0.773 44.281 45.100 -0.076 0.000 0.804 73 G HN 0.045 nan 8.290 nan 0.000 0.535 74 M N -0.100 119.409 119.600 -0.152 0.000 2.618 74 M HA 0.645 5.125 4.480 -0.000 0.000 0.281 74 M C -1.475 174.670 176.300 -0.259 0.000 1.267 74 M CA -0.884 54.265 55.300 -0.252 0.000 0.845 74 M CB 2.722 35.132 32.600 -0.317 0.000 1.732 74 M HN 0.343 nan 8.290 nan 0.000 0.461 75 I N 1.080 121.468 120.570 -0.302 0.000 2.607 75 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 75 I C -1.331 174.671 176.117 -0.191 0.000 1.129 75 I CA -0.558 60.544 61.300 -0.329 0.000 1.042 75 I CB 2.114 39.811 38.000 -0.506 0.000 1.242 75 I HN 0.587 nan 8.210 nan 0.000 0.421 76 D N 4.174 124.525 120.400 -0.082 0.000 2.255 76 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 76 D C 0.310 176.714 176.300 0.174 0.000 1.078 76 D CA 0.199 54.212 54.000 0.022 0.000 0.896 76 D CB 2.468 43.294 40.800 0.043 0.000 1.194 76 D HN 0.761 nan 8.370 nan 0.000 0.429 77 G N -0.284 108.590 108.800 0.125 0.000 2.658 77 G HA2 0.600 4.560 3.960 -0.000 0.000 0.292 77 G HA3 0.600 4.560 3.960 -0.000 0.000 0.292 77 G C 0.083 175.025 174.900 0.071 0.000 1.320 77 G CA -0.638 44.517 45.100 0.092 0.000 0.933 77 G HN 0.424 nan 8.290 nan 0.000 0.476 78 G N -0.900 107.914 108.800 0.023 0.000 2.829 78 G HA2 0.423 4.383 3.960 -0.000 0.000 0.173 78 G HA3 0.423 4.383 3.960 -0.000 0.000 0.173 78 G C -0.699 174.303 174.900 0.170 0.000 1.476 78 G CA -0.625 44.548 45.100 0.120 0.000 1.072 78 G HN 0.488 nan 8.290 nan 0.000 0.577 79 F N 1.319 121.300 119.950 0.052 0.000 2.471 79 F HA 0.397 4.924 4.527 -0.000 0.000 0.365 79 F C 0.999 176.806 175.800 0.012 0.000 1.095 79 F CA -1.113 56.940 58.000 0.087 0.000 1.174 79 F CB -0.432 38.706 39.000 0.230 0.000 1.105 79 F HN 0.261 nan 8.300 nan 0.000 0.535 80 L N 6.251 127.280 121.223 -0.323 0.000 3.854 80 L HA -0.212 4.128 4.340 -0.000 0.000 0.460 80 L C -2.106 174.606 176.870 -0.263 0.000 1.228 80 L CA -0.436 54.179 54.840 -0.375 0.000 0.760 80 L CB -1.587 40.069 42.059 -0.672 0.000 1.597 80 L HN 0.443 nan 8.230 nan 0.000 0.852 81 P HA 0.047 nan 4.420 nan 0.000 0.272 81 P C -0.461 176.749 177.300 -0.151 0.000 1.230 81 P CA -0.091 62.861 63.100 -0.247 0.000 0.788 81 P CB 0.724 32.207 31.700 -0.361 0.000 0.949 82 N N 2.197 120.818 118.700 -0.131 0.000 2.469 82 N HA 0.293 5.033 4.740 -0.000 0.000 0.253 82 N C -2.346 173.162 175.510 -0.005 0.000 0.970 82 N CA -1.300 51.716 53.050 -0.057 0.000 0.940 82 N CB 1.661 40.121 38.487 -0.045 0.000 1.128 82 N HN 0.353 nan 8.380 nan 0.000 0.503 83 P HA 0.266 nan 4.420 nan 0.000 0.286 83 P C -0.744 176.520 177.300 -0.060 0.000 1.261 83 P CA -0.462 62.648 63.100 0.016 0.000 0.821 83 P CB 1.676 33.378 31.700 0.003 0.000 1.013 84 V N -0.200 119.678 119.914 -0.060 0.000 2.971 84 V HA 0.691 4.811 4.120 -0.000 0.000 0.309 84 V C -0.955 175.036 176.094 -0.172 0.000 1.130 84 V CA -0.981 61.255 62.300 -0.107 0.000 0.964 84 V CB 2.014 33.829 31.823 -0.014 0.000 1.029 84 V HN 0.257 nan 8.190 nan 0.000 0.427 85 V N 2.776 122.544 119.914 -0.243 0.000 2.577 85 V HA 0.809 4.929 4.120 -0.000 0.000 0.303 85 V C 0.668 176.565 176.094 -0.328 0.000 1.042 85 V CA -0.138 61.948 62.300 -0.356 0.000 0.872 85 V CB 1.720 33.264 31.823 -0.464 0.000 0.998 85 V HN 1.483 nan 8.190 nan 0.000 0.423 86 A N 2.644 125.132 122.820 -0.554 0.000 2.488 86 A HA 0.232 4.552 4.320 -0.000 0.000 0.249 86 A C 1.072 178.506 177.584 -0.249 0.000 1.083 86 A CA -0.099 51.625 52.037 -0.521 0.000 0.768 86 A CB -0.008 18.397 19.000 -0.992 0.000 1.017 86 A HN 0.883 nan 8.150 nan 0.000 0.496 87 D N 1.446 121.773 120.400 -0.122 0.000 2.221 87 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 87 D C 1.037 177.313 176.300 -0.041 0.000 0.982 87 D CA 1.852 55.822 54.000 -0.051 0.000 0.857 87 D CB -0.012 40.783 40.800 -0.008 0.000 0.934 87 D HN 0.824 nan 8.370 nan 0.000 0.475 88 D N -1.012 119.355 120.400 -0.054 0.000 2.349 88 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 88 D C 1.503 177.791 176.300 -0.020 0.000 1.029 88 D CA 0.764 54.752 54.000 -0.020 0.000 0.879 88 D CB -0.305 40.497 40.800 0.005 0.000 0.906 88 D HN 0.151 nan 8.370 nan 0.000 0.528 89 G N 0.320 109.084 108.800 -0.059 0.000 2.155 89 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 89 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 89 G C 1.185 176.081 174.900 -0.006 0.000 0.983 89 G CA 0.961 46.046 45.100 -0.026 0.000 0.676 89 G HN 0.654 nan 8.290 nan 0.000 0.528 90 S N -0.837 114.850 115.700 -0.022 0.000 2.453 90 S HA 0.461 4.931 4.470 -0.000 0.000 0.231 90 S C 0.717 175.458 174.600 0.235 0.000 1.005 90 S CA 1.268 59.534 58.200 0.109 0.000 0.949 90 S CB -0.282 63.033 63.200 0.191 0.000 0.774 90 S HN 1.922 nan 8.310 nan 0.000 0.510 91 F N -1.481 118.498 119.950 0.047 0.000 2.858 91 F HA 0.760 5.287 4.527 0.000 0.000 0.319 91 F C -1.769 174.050 175.800 0.031 0.000 1.166 91 F CA -1.950 56.081 58.000 0.051 0.000 0.899 91 F CB 0.675 39.698 39.000 0.038 0.000 1.332 91 F HN -0.107 nan 8.300 nan 0.000 0.461 92 I N 1.419 122.193 120.570 0.339 0.000 2.828 92 I HA 0.905 5.075 4.170 -0.000 0.000 0.302 92 I C -0.578 175.772 176.117 0.388 0.000 1.101 92 I CA -1.063 60.341 61.300 0.172 0.000 1.031 92 I CB 2.042 40.097 38.000 0.091 0.000 1.231 92 I HN 1.095 nan 8.210 nan 0.000 0.427 93 A N 3.099 126.068 122.820 0.248 0.000 2.586 93 A HA 0.828 5.148 4.320 -0.000 0.000 0.290 93 A C -1.601 176.093 177.584 0.183 0.000 1.086 93 A CA -0.504 51.665 52.037 0.220 0.000 0.665 93 A CB 1.803 20.946 19.000 0.239 0.000 1.279 93 A HN 0.970 nan 8.150 nan 0.000 0.423 94 H N -1.301 117.845 119.070 0.126 0.000 3.064 94 H HA 0.779 5.334 4.556 -0.000 0.000 0.352 94 H C -0.720 174.552 175.328 -0.092 0.000 1.260 94 H CA -0.650 55.413 56.048 0.024 0.000 1.160 94 H CB 1.723 31.511 29.762 0.044 0.000 1.879 94 H HN 1.213 nan 8.280 nan 0.000 0.544 95 A N 2.179 124.970 122.820 -0.050 0.000 2.260 95 A HA 0.530 4.850 4.320 -0.000 0.000 0.314 95 A C -0.269 177.030 177.584 -0.476 0.000 1.257 95 A CA -0.231 51.644 52.037 -0.271 0.000 0.871 95 A CB 1.179 20.026 19.000 -0.254 0.000 1.166 95 A HN 0.646 nan 8.150 nan 0.000 0.522 96 S N 0.951 116.176 115.700 -0.792 0.000 2.667 96 S HA 0.869 5.339 4.470 -0.000 0.000 0.292 96 S C -0.534 173.640 174.600 -0.711 0.000 1.126 96 S CA -0.333 57.357 58.200 -0.850 0.000 0.881 96 S CB 1.756 64.302 63.200 -1.089 0.000 1.132 96 S HN 0.757 nan 8.310 nan 0.000 0.492 97 T N 1.649 116.020 114.554 -0.306 0.000 2.921 97 T HA 0.633 4.983 4.350 -0.000 0.000 0.297 97 T C -0.845 173.821 174.700 -0.058 0.000 1.013 97 T CA -0.524 61.489 62.100 -0.145 0.000 0.990 97 T CB 1.195 70.005 68.868 -0.096 0.000 1.023 97 T HN 0.909 nan 8.240 nan 0.000 0.447 98 V N 0.260 120.068 119.914 -0.176 0.000 3.141 98 V HA 0.940 5.060 4.120 -0.000 0.000 0.312 98 V C -1.585 174.138 176.094 -0.618 0.000 1.157 98 V CA -1.227 60.955 62.300 -0.196 0.000 1.041 98 V CB 1.828 33.659 31.823 0.013 0.000 1.071 98 V HN 0.740 nan 8.190 nan 0.000 0.441 99 F N 0.143 120.108 119.950 0.024 0.000 2.577 99 F HA 0.609 5.136 4.527 -0.000 0.000 0.318 99 F C 1.525 177.317 175.800 -0.014 0.000 1.065 99 F CA -0.104 57.893 58.000 -0.006 0.000 0.929 99 F CB 2.455 41.434 39.000 -0.035 0.000 1.237 99 F HN 0.688 nan 8.300 nan 0.000 0.468 100 S N 0.520 116.306 115.700 0.144 0.000 2.419 100 S HA -0.020 4.450 4.470 -0.000 0.000 0.233 100 S C 0.948 175.588 174.600 0.065 0.000 1.016 100 S CA 0.878 59.119 58.200 0.070 0.000 0.974 100 S CB -0.122 63.105 63.200 0.044 0.000 0.786 100 S HN 0.515 nan 8.310 nan 0.000 0.492 101 R N 0.602 121.152 120.500 0.083 0.000 2.835 101 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 101 R C -0.057 176.258 176.300 0.025 0.000 1.410 101 R CA -0.124 55.999 56.100 0.038 0.000 1.590 101 R CB -0.595 29.712 30.300 0.012 0.000 1.288 101 R HN 0.374 nan 8.270 nan 0.000 0.637 102 I N -0.202 120.402 120.570 0.057 0.000 4.773 102 I HA -0.488 3.682 4.170 -0.000 0.000 0.042 102 I C 1.171 177.287 176.117 -0.001 0.000 0.630 102 I CA 2.565 63.887 61.300 0.037 0.000 0.606 102 I CB -1.153 36.838 38.000 -0.015 0.000 0.584 102 I HN 0.439 nan 8.210 nan 0.000 0.154 103 A N 1.048 123.765 122.820 -0.171 0.000 2.545 103 A HA 0.572 4.892 4.320 -0.000 0.000 0.263 103 A C 0.609 177.787 177.584 -0.677 0.000 1.202 103 A CA 0.435 52.167 52.037 -0.508 0.000 0.959 103 A CB 0.041 18.795 19.000 -0.410 0.000 1.124 103 A HN 0.574 nan 8.150 nan 0.000 0.543 104 R N -2.837 117.471 120.500 -0.320 0.000 2.795 104 R HA 0.763 5.103 4.340 -0.000 0.000 0.268 104 R C 0.447 176.758 176.300 0.018 0.000 1.041 104 R CA -0.302 55.678 56.100 -0.200 0.000 0.927 104 R CB 0.214 30.425 30.300 -0.148 0.000 1.235 104 R HN 1.203 nan 8.270 nan 0.000 0.463 105 G N 0.612 109.441 108.800 0.048 0.000 2.512 105 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.210 105 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.210 105 G C -1.162 173.823 174.900 0.141 0.000 1.295 105 G CA -0.392 44.757 45.100 0.081 0.000 0.934 105 G HN 0.705 nan 8.290 nan 0.000 0.554 106 E N 0.659 120.919 120.200 0.101 0.000 2.366 106 E HA 0.333 4.683 4.350 -0.000 0.000 0.266 106 E C 0.852 177.492 176.600 0.066 0.000 1.015 106 E CA -0.075 56.369 56.400 0.072 0.000 0.906 106 E CB 0.699 30.413 29.700 0.023 0.000 0.979 106 E HN 0.566 nan 8.360 nan 0.000 0.443 107 R N 2.384 122.901 120.500 0.027 0.000 2.368 107 R HA 0.250 4.590 4.340 -0.000 0.000 0.302 107 R C -1.045 175.142 176.300 -0.188 0.000 1.002 107 R CA -0.162 55.823 56.100 -0.192 0.000 0.929 107 R CB 0.988 31.233 30.300 -0.091 0.000 1.073 107 R HN 0.343 nan 8.270 nan 0.000 0.464 108 T N 3.758 118.157 114.554 -0.259 0.000 2.840 108 T HA 0.227 4.577 4.350 -0.000 0.000 0.287 108 T C -1.378 173.292 174.700 -0.049 0.000 0.991 108 T CA -0.768 61.259 62.100 -0.121 0.000 0.964 108 T CB 1.358 70.169 68.868 -0.095 0.000 0.954 108 T HN 0.513 nan 8.240 nan 0.000 0.438 109 D N 2.612 122.978 120.400 -0.057 0.000 2.168 109 D HA 0.587 5.227 4.640 -0.000 0.000 0.246 109 D C -0.508 175.792 176.300 -0.001 0.000 1.050 109 D CA 0.032 53.969 54.000 -0.105 0.000 0.857 109 D CB 1.107 41.780 40.800 -0.212 0.000 1.169 109 D HN 0.590 nan 8.370 nan 0.000 0.453 110 Y N -1.442 118.746 120.300 -0.187 0.000 2.670 110 Y HA 0.689 5.239 4.550 -0.000 0.000 0.334 110 Y C -1.670 174.167 175.900 -0.103 0.000 1.185 110 Y CA -1.304 56.715 58.100 -0.136 0.000 1.053 110 Y CB 0.680 39.084 38.460 -0.092 0.000 1.298 110 Y HN 0.071 nan 8.280 nan 0.000 0.459 111 V N 1.684 121.601 119.914 0.004 0.000 2.487 111 V HA 0.451 4.571 4.120 -0.000 0.000 0.298 111 V C -0.762 175.386 176.094 0.091 0.000 1.028 111 V CA -0.711 61.580 62.300 -0.014 0.000 0.860 111 V CB 1.542 33.365 31.823 0.000 0.000 0.991 111 V HN 0.820 nan 8.190 nan 0.000 0.427 112 E N 2.638 122.892 120.200 0.090 0.000 2.199 112 E HA 0.682 5.032 4.350 -0.000 0.000 0.269 112 E C -1.530 174.824 176.600 -0.409 0.000 0.899 112 E CA -0.562 55.742 56.400 -0.159 0.000 0.772 112 E CB 2.635 32.237 29.700 -0.164 0.000 1.155 112 E HN 0.448 nan 8.360 nan 0.000 0.408 113 V N 3.841 123.438 119.914 -0.529 0.000 2.555 113 V HA 0.487 4.607 4.120 -0.000 0.000 0.302 113 V C -0.861 174.891 176.094 -0.570 0.000 1.038 113 V CA -0.656 61.413 62.300 -0.385 0.000 0.887 113 V CB 0.940 32.589 31.823 -0.290 0.000 0.991 113 V HN 0.514 nan 8.190 nan 0.000 0.434 114 F N 1.390 121.351 119.950 0.018 0.000 2.546 114 F HA 0.418 4.945 4.527 0.000 0.000 0.320 114 F C 0.303 176.147 175.800 0.074 0.000 1.076 114 F CA -0.837 57.176 58.000 0.022 0.000 0.928 114 F CB 1.365 40.360 39.000 -0.009 0.000 1.189 114 F HN 0.457 nan 8.300 nan 0.000 0.465 115 D N 4.405 124.950 120.400 0.241 0.000 2.390 115 D HA 0.068 4.708 4.640 -0.000 0.000 0.249 115 D C -1.629 174.780 176.300 0.182 0.000 1.144 115 D CA -1.516 52.588 54.000 0.173 0.000 0.880 115 D CB 1.697 42.568 40.800 0.118 0.000 1.182 115 D HN 0.226 nan 8.370 nan 0.000 0.451 116 P HA -0.064 nan 4.420 nan 0.000 0.237 116 P C 1.070 178.428 177.300 0.096 0.000 1.178 116 P CA 0.321 63.507 63.100 0.143 0.000 0.766 116 P CB 0.675 32.457 31.700 0.136 0.000 0.876 117 V N 0.038 120.000 119.914 0.081 0.000 2.911 117 V HA -0.040 4.080 4.120 -0.000 0.000 0.237 117 V C 2.659 178.779 176.094 0.043 0.000 1.156 117 V CA 2.024 64.355 62.300 0.052 0.000 1.180 117 V CB -0.906 30.945 31.823 0.046 0.000 0.932 117 V HN 0.209 nan 8.190 nan 0.000 0.483 118 T N -2.820 111.768 114.554 0.056 0.000 3.067 118 T HA 0.066 4.416 4.350 -0.000 0.000 0.257 118 T C 1.119 175.853 174.700 0.057 0.000 1.105 118 T CA 0.314 62.443 62.100 0.049 0.000 1.104 118 T CB 0.244 69.143 68.868 0.051 0.000 0.925 118 T HN 0.113 nan 8.240 nan 0.000 0.498 119 L N -0.529 120.744 121.223 0.083 0.000 4.696 119 L HA -0.087 4.253 4.340 -0.000 0.000 0.425 119 L C -0.158 176.825 176.870 0.189 0.000 1.115 119 L CA 0.152 55.044 54.840 0.087 0.000 0.996 119 L CB -1.974 40.075 42.059 -0.016 0.000 2.077 119 L HN 0.367 nan 8.230 nan 0.000 0.792 120 L N 0.391 121.724 121.223 0.183 0.000 2.395 120 L HA 0.422 4.762 4.340 -0.000 0.000 0.269 120 L C -1.555 175.451 176.870 0.228 0.000 1.133 120 L CA -1.545 53.408 54.840 0.187 0.000 0.812 120 L CB 0.044 42.160 42.059 0.093 0.000 1.125 120 L HN -0.139 nan 8.230 nan 0.000 0.452 121 P HA 0.173 nan 4.420 nan 0.000 0.276 121 P C 0.306 177.531 177.300 -0.123 0.000 1.230 121 P CA -0.021 62.976 63.100 -0.171 0.000 0.776 121 P CB 0.584 32.176 31.700 -0.181 0.000 0.888 122 T N -0.622 113.822 114.554 -0.182 0.000 3.010 122 T HA 0.602 4.952 4.350 -0.000 0.000 0.257 122 T C 0.296 174.915 174.700 -0.135 0.000 1.020 122 T CA -0.162 61.870 62.100 -0.113 0.000 0.938 122 T CB 0.151 68.970 68.868 -0.081 0.000 1.049 122 T HN 0.471 nan 8.240 nan 0.000 0.522 123 A N 0.706 123.413 122.820 -0.189 0.000 2.577 123 A HA 0.597 4.917 4.320 -0.000 0.000 0.297 123 A C -2.144 175.350 177.584 -0.150 0.000 1.060 123 A CA -0.679 51.269 52.037 -0.148 0.000 0.697 123 A CB 1.427 20.339 19.000 -0.146 0.000 1.281 123 A HN 0.130 nan 8.150 nan 0.000 0.402 124 D N 2.520 122.871 120.400 -0.083 0.000 2.358 124 D HA 0.462 5.102 4.640 -0.000 0.000 0.253 124 D C -1.254 175.048 176.300 0.003 0.000 1.288 124 D CA 0.025 54.005 54.000 -0.034 0.000 0.950 124 D CB 0.730 41.489 40.800 -0.069 0.000 1.197 124 D HN 0.459 nan 8.370 nan 0.000 0.550 125 I N 2.647 123.244 120.570 0.044 0.000 2.330 125 I HA 0.231 4.401 4.170 -0.000 0.000 0.289 125 I C 0.727 176.891 176.117 0.078 0.000 1.001 125 I CA -0.723 60.610 61.300 0.055 0.000 1.193 125 I CB 1.649 39.688 38.000 0.063 0.000 1.345 125 I HN 0.214 nan 8.210 nan 0.000 0.461 126 E N 6.823 127.053 120.200 0.049 0.000 2.366 126 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 126 E C -1.172 175.401 176.600 -0.045 0.000 1.051 126 E CA -0.517 55.896 56.400 0.021 0.000 0.884 126 E CB 0.965 30.658 29.700 -0.012 0.000 1.006 126 E HN 0.519 nan 8.360 nan 0.000 0.417 127 L N 6.187 127.332 121.223 -0.130 0.000 2.280 127 L HA 0.379 4.719 4.340 -0.000 0.000 0.287 127 L C -2.163 174.507 176.870 -0.333 0.000 1.023 127 L CA -2.389 52.260 54.840 -0.317 0.000 0.819 127 L CB 1.333 43.182 42.059 -0.350 0.000 1.212 127 L HN 0.444 nan 8.230 nan 0.000 0.420 128 P HA -0.016 nan 4.420 nan 0.000 0.264 128 P C -0.497 176.677 177.300 -0.211 0.000 1.193 128 P CA 0.176 63.102 63.100 -0.290 0.000 0.763 128 P CB 0.282 31.804 31.700 -0.296 0.000 0.810 129 D N 2.027 122.357 120.400 -0.115 0.000 2.723 129 D HA -0.224 4.416 4.640 -0.000 0.000 0.236 129 D C -0.046 176.221 176.300 -0.055 0.000 1.138 129 D CA 1.249 55.209 54.000 -0.067 0.000 0.676 129 D CB -1.499 39.274 40.800 -0.044 0.000 1.069 129 D HN 0.712 nan 8.370 nan 0.000 0.430 130 A N -0.288 122.487 122.820 -0.074 0.000 1.999 130 A HA -0.171 4.149 4.320 -0.000 0.000 0.261 130 A C -0.545 177.029 177.584 -0.016 0.000 1.316 130 A CA 0.882 52.885 52.037 -0.058 0.000 0.752 130 A CB -0.564 18.423 19.000 -0.022 0.000 1.166 130 A HN 0.361 nan 8.150 nan 0.000 0.311 131 P HA -0.003 nan 4.420 nan 0.000 0.251 131 P C 0.472 177.878 177.300 0.176 0.000 1.223 131 P CA 0.176 63.337 63.100 0.101 0.000 0.796 131 P CB 0.207 32.025 31.700 0.197 0.000 1.068 132 R N 0.257 120.776 120.500 0.032 0.000 2.623 132 R HA 0.137 4.477 4.340 -0.000 0.000 0.271 132 R C 0.007 176.442 176.300 0.225 0.000 1.043 132 R CA -0.281 55.853 56.100 0.056 0.000 1.083 132 R CB 0.031 30.256 30.300 -0.125 0.000 0.974 132 R HN 0.044 nan 8.270 nan 0.000 0.436 133 F N 4.569 124.580 119.950 0.102 0.000 2.390 133 F HA 0.215 4.742 4.527 -0.000 0.000 0.361 133 F C -0.486 175.321 175.800 0.012 0.000 1.124 133 F CA -1.196 56.876 58.000 0.120 0.000 1.149 133 F CB 0.231 39.384 39.000 0.254 0.000 1.160 133 F HN 0.280 nan 8.300 nan 0.000 0.501 134 L N 8.081 129.266 121.223 -0.063 0.000 2.295 134 L HA 0.528 4.868 4.340 -0.000 0.000 0.288 134 L C -0.267 176.234 176.870 -0.615 0.000 1.079 134 L CA -0.564 54.092 54.840 -0.307 0.000 0.830 134 L CB 0.690 42.701 42.059 -0.079 0.000 1.200 134 L HN 0.486 nan 8.230 nan 0.000 0.438 135 V N 2.322 121.796 119.914 -0.733 0.000 3.178 135 V HA 0.673 4.793 4.120 -0.000 0.000 0.302 135 V C 0.282 176.103 176.094 -0.456 0.000 1.262 135 V CA -0.447 61.404 62.300 -0.749 0.000 1.030 135 V CB 2.294 33.335 31.823 -1.304 0.000 1.074 135 V HN 0.702 nan 8.190 nan 0.000 0.438 136 G N 2.191 110.894 108.800 -0.162 0.000 2.368 136 G HA2 0.231 4.191 3.960 -0.000 0.000 0.233 136 G HA3 0.231 4.191 3.960 -0.000 0.000 0.233 136 G C 0.186 175.105 174.900 0.032 0.000 1.267 136 G CA 0.626 45.855 45.100 0.215 0.000 0.873 136 G HN 1.100 nan 8.290 nan 0.000 0.539 137 T N 2.909 117.630 114.554 0.279 0.000 2.758 137 T HA 0.098 4.448 4.350 -0.000 0.000 0.281 137 T C -0.650 174.352 174.700 0.504 0.000 0.963 137 T CA 0.674 62.929 62.100 0.259 0.000 1.201 137 T CB -0.189 68.827 68.868 0.246 0.000 0.906 137 T HN 0.296 nan 8.240 nan 0.000 0.528 138 Y N 4.008 124.355 120.300 0.078 0.000 2.334 138 Y HA 0.332 4.882 4.550 -0.000 0.000 0.336 138 Y C -1.760 174.111 175.900 -0.049 0.000 0.960 138 Y CA -3.597 54.446 58.100 -0.095 0.000 1.164 138 Y CB 1.079 39.430 38.460 -0.181 0.000 1.155 138 Y HN 0.431 nan 8.280 nan 0.000 0.478 139 P HA -0.185 nan 4.420 nan 0.000 0.216 139 P C 0.403 177.449 177.300 -0.423 0.000 1.154 139 P CA 1.960 64.923 63.100 -0.227 0.000 0.865 139 P CB 0.103 31.594 31.700 -0.347 0.000 0.789 140 W N -2.026 119.371 121.300 0.163 0.000 3.433 140 W HA 0.204 4.864 4.660 -0.000 0.000 0.376 140 W C 1.340 177.856 176.519 -0.005 0.000 1.160 140 W CA -0.166 57.227 57.345 0.080 0.000 1.832 140 W CB -0.441 29.044 29.460 0.042 0.000 1.011 140 W HN -0.086 nan 8.180 nan 0.000 0.766 141 M N -0.423 119.255 119.600 0.130 0.000 2.371 141 M HA 0.198 4.678 4.480 -0.000 0.000 0.246 141 M C -0.098 176.301 176.300 0.165 0.000 1.103 141 M CA 0.874 56.251 55.300 0.128 0.000 1.010 141 M CB -0.161 32.536 32.600 0.161 0.000 1.457 141 M HN -0.341 nan 8.290 nan 0.000 0.486 142 T N 0.198 114.813 114.554 0.102 0.000 3.237 142 T HA 0.494 4.844 4.350 -0.000 0.000 0.319 142 T C -0.791 173.944 174.700 0.059 0.000 1.037 142 T CA -0.470 61.697 62.100 0.112 0.000 1.048 142 T CB 1.976 70.898 68.868 0.089 0.000 1.081 142 T HN 0.017 nan 8.240 nan 0.000 0.455 143 S N 2.352 118.122 115.700 0.117 0.000 2.556 143 S HA 0.698 5.168 4.470 -0.000 0.000 0.271 143 S C -0.981 173.739 174.600 0.201 0.000 1.135 143 S CA -0.942 57.368 58.200 0.184 0.000 0.858 143 S CB 1.339 64.788 63.200 0.416 0.000 1.114 143 S HN 0.541 nan 8.310 nan 0.000 0.468 144 L N 2.111 123.478 121.223 0.240 0.000 2.343 144 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 144 L C 0.827 177.861 176.870 0.274 0.000 1.056 144 L CA -0.734 54.249 54.840 0.239 0.000 0.804 144 L CB 1.502 43.691 42.059 0.218 0.000 1.203 144 L HN 0.844 nan 8.230 nan 0.000 0.440 145 T N -1.366 113.339 114.554 0.252 0.000 2.868 145 T HA 0.180 4.530 4.350 -0.000 0.000 0.292 145 T C -1.969 172.862 174.700 0.219 0.000 1.028 145 T CA -1.559 60.694 62.100 0.255 0.000 1.059 145 T CB 0.920 69.931 68.868 0.237 0.000 0.991 145 T HN 0.359 nan 8.240 nan 0.000 0.531 146 P HA -0.114 nan 4.420 nan 0.000 0.217 146 P C 1.034 178.410 177.300 0.128 0.000 1.148 146 P CA 1.153 64.344 63.100 0.152 0.000 0.828 146 P CB -0.110 31.670 31.700 0.134 0.000 0.783 147 D N -1.784 118.695 120.400 0.132 0.000 2.363 147 D HA 0.033 4.673 4.640 -0.000 0.000 0.220 147 D C 1.474 177.866 176.300 0.154 0.000 0.994 147 D CA 0.834 54.906 54.000 0.119 0.000 0.890 147 D CB -1.282 39.578 40.800 0.100 0.000 0.906 147 D HN 0.199 nan 8.370 nan 0.000 0.530 148 G N 0.641 109.556 108.800 0.191 0.000 2.166 148 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.260 148 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.260 148 G C 0.958 176.035 174.900 0.296 0.000 0.986 148 G CA 0.706 45.980 45.100 0.290 0.000 0.683 148 G HN 0.495 nan 8.290 nan 0.000 0.527 149 K N -0.514 119.996 120.400 0.185 0.000 2.361 149 K HA 0.180 4.500 4.320 -0.000 0.000 0.194 149 K C 0.436 177.101 176.600 0.109 0.000 1.032 149 K CA 0.875 57.231 56.287 0.115 0.000 1.048 149 K CB 0.561 33.112 32.500 0.086 0.000 0.842 149 K HN 0.341 nan 8.250 nan 0.000 0.526 150 T N 1.038 115.685 114.554 0.156 0.000 2.886 150 T HA 0.400 4.750 4.350 -0.000 0.000 0.292 150 T C -1.408 173.398 174.700 0.176 0.000 1.012 150 T CA -0.670 61.524 62.100 0.157 0.000 0.982 150 T CB 2.102 71.088 68.868 0.196 0.000 1.018 150 T HN 0.010 nan 8.240 nan 0.000 0.451 151 L N 3.814 125.130 121.223 0.155 0.000 2.341 151 L HA 0.723 5.063 4.340 -0.000 0.000 0.278 151 L C -1.591 175.361 176.870 0.137 0.000 1.005 151 L CA -0.893 54.047 54.840 0.167 0.000 0.818 151 L CB 0.786 42.953 42.059 0.179 0.000 1.259 151 L HN 0.574 nan 8.230 nan 0.000 0.418 152 L N 5.576 126.848 121.223 0.082 0.000 2.329 152 L HA 0.595 4.935 4.340 -0.000 0.000 0.279 152 L C -0.845 176.051 176.870 0.043 0.000 1.014 152 L CA -0.644 54.149 54.840 -0.077 0.000 0.814 152 L CB 1.596 43.473 42.059 -0.304 0.000 1.257 152 L HN 0.572 nan 8.230 nan 0.000 0.424 153 F N 1.012 120.936 119.950 -0.043 0.000 2.588 153 F HA 0.576 5.103 4.527 -0.000 0.000 0.314 153 F C -1.184 174.655 175.800 0.065 0.000 1.069 153 F CA -1.278 56.738 58.000 0.027 0.000 0.931 153 F CB 1.050 40.075 39.000 0.042 0.000 1.260 153 F HN 0.263 nan 8.300 nan 0.000 0.465 154 Y N 2.430 122.839 120.300 0.181 0.000 2.308 154 Y HA 0.409 4.959 4.550 0.000 0.000 0.329 154 Y C -0.458 175.577 175.900 0.225 0.000 1.111 154 Y CA -0.424 57.734 58.100 0.097 0.000 1.179 154 Y CB 1.276 39.816 38.460 0.134 0.000 1.201 154 Y HN 0.850 nan 8.280 nan 0.000 0.483 155 Q N 5.751 125.140 119.800 -0.686 0.000 2.331 155 Q HA 0.220 4.560 4.340 -0.000 0.000 0.267 155 Q C -0.909 174.550 176.000 -0.901 0.000 1.006 155 Q CA -0.548 54.990 55.803 -0.443 0.000 0.818 155 Q CB 1.114 29.710 28.738 -0.236 0.000 1.276 155 Q HN 0.885 nan 8.270 nan 0.000 0.450 156 F N 2.398 121.925 119.950 -0.705 0.000 2.274 156 F HA 0.279 4.806 4.527 -0.000 0.000 0.288 156 F C 0.486 176.118 175.800 -0.281 0.000 1.069 156 F CA 0.468 58.093 58.000 -0.626 0.000 1.343 156 F CB 0.698 39.108 39.000 -0.983 0.000 1.089 156 F HN 0.470 nan 8.300 nan 0.000 0.517 157 S N 0.521 116.141 115.700 -0.134 0.000 2.566 157 S HA 0.430 4.900 4.470 -0.000 0.000 0.298 157 S C -1.829 172.723 174.600 -0.079 0.000 1.083 157 S CA -1.462 56.650 58.200 -0.146 0.000 0.978 157 S CB 1.425 64.661 63.200 0.060 0.000 1.073 157 S HN 0.091 nan 8.310 nan 0.000 0.491 158 P HA 0.270 nan 4.420 nan 0.000 0.241 158 P C -0.156 177.037 177.300 -0.178 0.000 1.191 158 P CA 0.252 63.287 63.100 -0.109 0.000 0.771 158 P CB 0.118 31.782 31.700 -0.060 0.000 0.929 159 A N 0.507 123.199 122.820 -0.212 0.000 2.574 159 A HA 0.612 4.932 4.320 -0.000 0.000 0.297 159 A C -3.029 174.381 177.584 -0.291 0.000 1.062 159 A CA -1.721 50.176 52.037 -0.233 0.000 0.686 159 A CB 0.985 19.895 19.000 -0.150 0.000 1.285 159 A HN -0.199 nan 8.150 nan 0.000 0.403 160 P HA 0.389 nan 4.420 nan 0.000 0.264 160 P C -0.279 176.851 177.300 -0.283 0.000 1.193 160 P CA 0.667 63.570 63.100 -0.329 0.000 0.763 160 P CB 1.016 32.601 31.700 -0.192 0.000 0.810 161 A N 3.035 125.611 122.820 -0.407 0.000 2.610 161 A HA 0.603 4.923 4.320 -0.000 0.000 0.291 161 A C -1.498 175.886 177.584 -0.333 0.000 1.086 161 A CA -0.563 51.307 52.037 -0.279 0.000 0.677 161 A CB 1.459 20.323 19.000 -0.226 0.000 1.278 161 A HN 0.258 nan 8.150 nan 0.000 0.414 162 V N 1.033 120.786 119.914 -0.269 0.000 2.483 162 V HA 0.640 4.760 4.120 -0.000 0.000 0.297 162 V C 0.765 176.539 176.094 -0.534 0.000 1.027 162 V CA -0.067 62.003 62.300 -0.383 0.000 0.855 162 V CB 1.562 33.211 31.823 -0.290 0.000 0.995 162 V HN 1.398 nan 8.190 nan 0.000 0.424 163 G N 3.363 111.577 108.800 -0.976 0.000 2.415 163 G HA2 0.517 4.477 3.960 -0.000 0.000 0.269 163 G HA3 0.517 4.477 3.960 -0.000 0.000 0.269 163 G C -0.673 173.904 174.900 -0.538 0.000 1.209 163 G CA -0.270 44.297 45.100 -0.888 0.000 0.835 163 G HN 0.560 nan 8.290 nan 0.000 0.534 164 V N 2.572 122.296 119.914 -0.317 0.000 2.357 164 V HA 0.359 4.479 4.120 -0.000 0.000 0.284 164 V C -0.166 175.862 176.094 -0.110 0.000 1.018 164 V CA -0.620 61.544 62.300 -0.226 0.000 0.841 164 V CB 1.433 33.104 31.823 -0.254 0.000 0.991 164 V HN 0.497 nan 8.190 nan 0.000 0.437 165 V N 3.648 123.604 119.914 0.071 0.000 2.409 165 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 165 V C -0.344 175.799 176.094 0.082 0.000 1.020 165 V CA -0.592 61.789 62.300 0.135 0.000 0.848 165 V CB 1.958 33.932 31.823 0.253 0.000 0.990 165 V HN 0.925 nan 8.190 nan 0.000 0.430 166 D N 4.334 124.762 120.400 0.047 0.000 2.393 166 D HA 0.265 4.904 4.640 -0.000 0.000 0.232 166 D C 0.930 177.240 176.300 0.017 0.000 1.192 166 D CA -0.062 53.959 54.000 0.035 0.000 0.882 166 D CB 1.017 41.828 40.800 0.017 0.000 1.038 166 D HN 0.435 nan 8.370 nan 0.000 0.499 167 L N 2.678 123.901 121.223 -0.001 0.000 2.156 167 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 167 L C 2.209 179.022 176.870 -0.095 0.000 1.095 167 L CA 0.650 55.444 54.840 -0.076 0.000 0.770 167 L CB -0.210 41.758 42.059 -0.151 0.000 0.914 167 L HN 0.520 nan 8.230 nan 0.000 0.439 168 E N 0.772 120.941 120.200 -0.051 0.000 2.015 168 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 168 E C 2.038 178.618 176.600 -0.034 0.000 0.991 168 E CA 1.261 57.636 56.400 -0.042 0.000 0.802 168 E CB -0.161 29.533 29.700 -0.010 0.000 0.759 168 E HN 0.405 nan 8.360 nan 0.000 0.447 169 G N 0.053 108.843 108.800 -0.016 0.000 2.920 169 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.208 169 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.208 169 G C -0.077 174.817 174.900 -0.010 0.000 1.159 169 G CA 0.131 45.225 45.100 -0.010 0.000 0.784 169 G HN 0.247 nan 8.290 nan 0.000 0.535 170 K N -1.006 119.382 120.400 -0.020 0.000 3.419 170 K HA -0.101 4.219 4.320 -0.000 0.000 0.272 170 K C -0.077 176.535 176.600 0.019 0.000 0.973 170 K CA 0.272 56.549 56.287 -0.016 0.000 0.749 170 K CB -1.664 30.817 32.500 -0.032 0.000 1.403 170 K HN 0.652 nan 8.250 nan 0.000 0.456 171 A N 0.765 123.610 122.820 0.042 0.000 2.574 171 A HA 0.632 4.952 4.320 -0.000 0.000 0.297 171 A C -1.060 176.599 177.584 0.125 0.000 1.062 171 A CA -0.888 51.198 52.037 0.082 0.000 0.686 171 A CB 0.833 19.866 19.000 0.054 0.000 1.285 171 A HN 0.272 nan 8.150 nan 0.000 0.403 172 F N 2.162 122.138 119.950 0.044 0.000 2.484 172 F HA 0.439 4.966 4.527 -0.000 0.000 0.360 172 F C 0.980 176.813 175.800 0.055 0.000 1.101 172 F CA 0.143 58.185 58.000 0.069 0.000 1.251 172 F CB 0.866 39.912 39.000 0.077 0.000 1.132 172 F HN 0.583 nan 8.300 nan 0.000 0.570 173 K N 4.941 124.849 120.400 -0.821 0.000 2.218 173 K HA 0.207 4.527 4.320 -0.000 0.000 0.214 173 K C -0.112 176.018 176.600 -0.785 0.000 1.033 173 K CA 0.574 56.510 56.287 -0.584 0.000 0.949 173 K CB 0.088 32.405 32.500 -0.305 0.000 0.993 173 K HN 0.824 nan 8.250 nan 0.000 0.464 174 R N -0.972 118.934 120.500 -0.991 0.000 2.741 174 R HA 0.383 4.723 4.340 -0.000 0.000 0.276 174 R C -1.041 175.072 176.300 -0.313 0.000 1.028 174 R CA -0.798 54.990 56.100 -0.521 0.000 0.865 174 R CB 0.455 30.624 30.300 -0.218 0.000 1.268 174 R HN -0.197 nan 8.270 nan 0.000 0.475 175 M N 1.726 121.308 119.600 -0.032 0.000 2.238 175 M HA 0.373 4.853 4.480 -0.000 0.000 0.350 175 M C -1.102 175.139 176.300 -0.098 0.000 1.138 175 M CA -1.035 54.246 55.300 -0.031 0.000 1.040 175 M CB 1.122 33.755 32.600 0.055 0.000 1.639 175 M HN 0.458 nan 8.290 nan 0.000 0.451 176 L N 3.725 124.855 121.223 -0.154 0.000 2.272 176 L HA 0.323 4.663 4.340 -0.000 0.000 0.289 176 L C 0.074 176.891 176.870 -0.089 0.000 1.032 176 L CA -0.149 54.621 54.840 -0.117 0.000 0.810 176 L CB 0.628 42.600 42.059 -0.145 0.000 1.205 176 L HN 0.493 nan 8.230 nan 0.000 0.422 177 D N 2.979 123.340 120.400 -0.065 0.000 2.383 177 D HA 0.352 4.992 4.640 -0.000 0.000 0.252 177 D C 0.019 176.289 176.300 -0.050 0.000 1.166 177 D CA 0.240 54.202 54.000 -0.063 0.000 0.879 177 D CB 1.674 42.444 40.800 -0.050 0.000 1.164 177 D HN 0.310 nan 8.370 nan 0.000 0.462 178 V N 0.459 120.343 119.914 -0.050 0.000 3.126 178 V HA 0.687 4.807 4.120 -0.000 0.000 0.314 178 V C -2.702 173.373 176.094 -0.031 0.000 1.138 178 V CA -2.157 60.127 62.300 -0.027 0.000 1.034 178 V CB 1.560 33.401 31.823 0.030 0.000 1.075 178 V HN 0.222 nan 8.190 nan 0.000 0.442 179 P HA 0.243 nan 4.420 nan 0.000 0.286 179 P C -0.736 176.547 177.300 -0.029 0.000 1.293 179 P CA -0.296 62.813 63.100 0.016 0.000 0.770 179 P CB 0.223 31.990 31.700 0.112 0.000 1.206 180 D N 0.261 120.650 120.400 -0.019 0.000 2.597 180 D HA 0.098 4.738 4.640 -0.000 0.000 0.228 180 D C -0.379 175.838 176.300 -0.140 0.000 1.120 180 D CA 0.491 54.445 54.000 -0.076 0.000 1.083 180 D CB -0.805 40.017 40.800 0.037 0.000 1.116 180 D HN 0.189 nan 8.370 nan 0.000 0.487 181 c N 1.140 119.542 118.600 -0.330 0.000 2.848 181 c HA 0.633 5.203 4.570 -0.000 0.000 0.317 181 c C -0.509 173.172 174.090 -0.682 0.000 1.260 181 c CA -0.921 55.256 56.329 -0.254 0.000 1.656 181 c CB 1.079 43.610 42.510 0.035 0.000 2.174 181 c HN 0.387 nan 8.230 nan 0.000 0.479 182 Y N -1.230 119.146 120.300 0.126 0.000 2.581 182 Y HA 0.636 5.186 4.550 -0.000 0.000 0.345 182 Y C -0.072 175.915 175.900 0.144 0.000 1.036 182 Y CA -0.396 57.642 58.100 -0.102 0.000 1.042 182 Y CB 0.618 39.093 38.460 0.026 0.000 1.289 182 Y HN 0.956 nan 8.280 nan 0.000 0.471 183 H N -0.236 118.790 119.070 -0.073 0.000 4.692 183 H HA -0.063 4.493 4.556 -0.000 0.000 0.262 183 H C -1.690 173.457 175.328 -0.303 0.000 0.549 183 H CA 0.262 56.225 56.048 -0.141 0.000 0.699 183 H CB -0.319 29.393 29.762 -0.083 0.000 0.950 183 H HN 0.634 nan 8.280 nan 0.000 0.307 184 I N 2.273 122.616 120.570 -0.379 0.000 2.468 184 I HA 0.278 4.448 4.170 -0.000 0.000 0.285 184 I C -0.824 175.037 176.117 -0.427 0.000 1.039 184 I CA -0.305 60.816 61.300 -0.298 0.000 1.074 184 I CB 0.952 38.820 38.000 -0.221 0.000 1.228 184 I HN 0.234 nan 8.210 nan 0.000 0.436 185 F N 6.856 126.886 119.950 0.133 0.000 2.359 185 F HA 0.457 4.984 4.527 0.000 0.000 0.369 185 F C -2.445 173.431 175.800 0.128 0.000 1.084 185 F CA -2.821 55.037 58.000 -0.236 0.000 1.096 185 F CB 0.840 39.341 39.000 -0.832 0.000 1.335 185 F HN 0.156 nan 8.300 nan 0.000 0.457 186 P HA 0.176 nan 4.420 nan 0.000 0.276 186 P C 0.696 178.279 177.300 0.472 0.000 1.235 186 P CA 0.038 63.429 63.100 0.484 0.000 0.772 186 P CB 1.058 33.010 31.700 0.419 0.000 0.871 187 T N -0.256 114.549 114.554 0.418 0.000 2.959 187 T HA 0.603 4.953 4.350 -0.000 0.000 0.254 187 T C 0.444 175.283 174.700 0.233 0.000 1.003 187 T CA 0.006 62.303 62.100 0.329 0.000 0.950 187 T CB 0.275 69.352 68.868 0.348 0.000 1.090 187 T HN 0.450 nan 8.240 nan 0.000 0.503 188 A N 1.188 124.145 122.820 0.228 0.000 2.588 188 A HA 0.754 5.074 4.320 -0.000 0.000 0.290 188 A C -2.476 175.194 177.584 0.144 0.000 1.136 188 A CA -1.444 50.681 52.037 0.147 0.000 0.681 188 A CB 0.474 19.530 19.000 0.093 0.000 1.282 188 A HN -0.098 nan 8.150 nan 0.000 0.421 189 P HA -0.075 nan 4.420 nan 0.000 0.219 189 P C 0.051 177.326 177.300 -0.042 0.000 1.146 189 P CA 1.982 65.117 63.100 0.057 0.000 0.808 189 P CB 0.138 31.848 31.700 0.016 0.000 0.779 190 D N -3.714 116.585 120.400 -0.170 0.000 2.563 190 D HA 0.099 4.739 4.640 -0.000 0.000 0.237 190 D C -0.398 175.707 176.300 -0.324 0.000 1.282 190 D CA -0.159 53.463 54.000 -0.630 0.000 0.816 190 D CB -0.382 40.055 40.800 -0.604 0.000 1.066 190 D HN -0.106 nan 8.370 nan 0.000 0.501 191 T N 0.491 115.101 114.554 0.093 0.000 2.933 191 T HA 0.627 4.977 4.350 -0.000 0.000 0.305 191 T C -1.022 173.889 174.700 0.353 0.000 1.092 191 T CA -0.771 61.408 62.100 0.131 0.000 1.008 191 T CB 1.552 70.435 68.868 0.025 0.000 1.102 191 T HN 0.187 nan 8.240 nan 0.000 0.469 192 F N 0.361 120.401 119.950 0.150 0.000 2.668 192 F HA 0.885 5.412 4.527 -0.000 0.000 0.309 192 F C -2.276 173.561 175.800 0.061 0.000 1.117 192 F CA -1.806 56.319 58.000 0.209 0.000 0.951 192 F CB 0.877 40.002 39.000 0.209 0.000 1.323 192 F HN 0.400 nan 8.300 nan 0.000 0.451 193 F N 1.985 122.138 119.950 0.338 0.000 2.523 193 F HA 0.834 5.361 4.527 0.000 0.000 0.329 193 F C -0.054 176.003 175.800 0.428 0.000 1.061 193 F CA -0.950 57.203 58.000 0.256 0.000 0.967 193 F CB 2.272 41.387 39.000 0.191 0.000 1.218 193 F HN 0.412 nan 8.300 nan 0.000 0.480 194 M N 1.287 121.209 119.600 0.537 0.000 2.593 194 M HA 0.315 4.795 4.480 -0.000 0.000 0.290 194 M C -1.231 175.432 176.300 0.604 0.000 1.244 194 M CA -0.758 54.845 55.300 0.505 0.000 0.857 194 M CB 2.855 35.654 32.600 0.331 0.000 1.738 194 M HN 0.580 nan 8.290 nan 0.000 0.461 195 H N 0.875 120.297 119.070 0.587 0.000 2.476 195 H HA 0.484 5.040 4.556 -0.000 0.000 0.328 195 H C -1.576 174.028 175.328 0.460 0.000 1.073 195 H CA -0.591 55.784 56.048 0.545 0.000 1.229 195 H CB 1.075 31.173 29.762 0.560 0.000 1.432 195 H HN 0.785 nan 8.280 nan 0.000 0.477 196 c N 4.585 123.133 118.600 -0.086 0.000 2.349 196 c HA 0.255 4.825 4.570 -0.000 0.000 0.361 196 c C 2.129 176.110 174.090 -0.181 0.000 1.189 196 c CA -0.803 55.510 56.329 -0.026 0.000 2.155 196 c CB 1.191 43.781 42.510 0.134 0.000 2.336 196 c HN 0.974 nan 8.230 nan 0.000 0.540 197 R N 1.051 121.597 120.500 0.076 0.000 2.105 197 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 197 R C 1.404 177.683 176.300 -0.035 0.000 1.135 197 R CA 2.420 58.563 56.100 0.072 0.000 0.967 197 R CB -0.302 30.099 30.300 0.169 0.000 0.861 197 R HN 0.935 nan 8.270 nan 0.000 0.442 198 D N -1.602 118.757 120.400 -0.070 0.000 2.371 198 D HA 0.008 4.648 4.640 -0.000 0.000 0.221 198 D C 1.109 177.266 176.300 -0.238 0.000 0.986 198 D CA 1.016 54.941 54.000 -0.125 0.000 0.899 198 D CB 0.081 40.806 40.800 -0.124 0.000 0.902 198 D HN 0.427 nan 8.370 nan 0.000 0.530 199 G N -0.305 108.314 108.800 -0.301 0.000 2.176 199 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.232 199 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.232 199 G C 0.349 175.024 174.900 -0.376 0.000 0.986 199 G CA 0.366 45.075 45.100 -0.652 0.000 0.643 199 G HN 0.841 nan 8.290 nan 0.000 0.522 200 S N -0.672 115.009 115.700 -0.033 0.000 2.730 200 S HA 0.873 5.343 4.470 -0.000 0.000 0.284 200 S C -0.307 174.579 174.600 0.477 0.000 1.153 200 S CA -0.822 57.530 58.200 0.254 0.000 0.995 200 S CB 2.488 65.819 63.200 0.218 0.000 1.058 200 S HN 0.832 nan 8.310 nan 0.000 0.552 201 L N 0.833 122.386 121.223 0.551 0.000 2.331 201 L HA 0.795 5.135 4.340 -0.000 0.000 0.275 201 L C -0.103 176.973 176.870 0.342 0.000 1.022 201 L CA -0.438 54.718 54.840 0.527 0.000 0.812 201 L CB 1.511 43.877 42.059 0.512 0.000 1.257 201 L HN 1.045 nan 8.230 nan 0.000 0.435 202 A N 3.749 126.694 122.820 0.208 0.000 2.342 202 A HA 0.623 4.943 4.320 -0.000 0.000 0.323 202 A C -0.803 176.623 177.584 -0.262 0.000 1.125 202 A CA -0.673 51.275 52.037 -0.149 0.000 0.785 202 A CB 0.810 19.649 19.000 -0.267 0.000 1.221 202 A HN 0.614 nan 8.150 nan 0.000 0.463 203 K N 2.263 122.365 120.400 -0.497 0.000 2.213 203 K HA 0.590 4.910 4.320 -0.000 0.000 0.270 203 K C -1.552 174.647 176.600 -0.668 0.000 1.002 203 K CA -0.332 55.404 56.287 -0.919 0.000 0.868 203 K CB 1.181 33.175 32.500 -0.844 0.000 1.093 203 K HN 0.421 nan 8.250 nan 0.000 0.454 204 V N 3.381 122.809 119.914 -0.810 0.000 2.407 204 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 204 V C -0.523 175.267 176.094 -0.507 0.000 1.018 204 V CA -0.934 60.932 62.300 -0.724 0.000 0.842 204 V CB 1.203 32.328 31.823 -1.164 0.000 0.996 204 V HN 0.887 nan 8.190 nan 0.000 0.426 205 A N 6.165 128.839 122.820 -0.244 0.000 2.287 205 A HA 0.944 5.264 4.320 -0.000 0.000 0.317 205 A C -0.740 176.859 177.584 0.024 0.000 1.220 205 A CA -0.379 51.588 52.037 -0.115 0.000 0.835 205 A CB 0.528 19.444 19.000 -0.141 0.000 1.180 205 A HN 0.902 nan 8.150 nan 0.000 0.500 206 F N 1.095 120.995 119.950 -0.084 0.000 2.654 206 F HA 0.968 5.495 4.527 -0.000 0.000 0.334 206 F C 0.289 176.079 175.800 -0.016 0.000 1.078 206 F CA -0.984 56.993 58.000 -0.039 0.000 0.986 206 F CB 1.076 40.083 39.000 0.010 0.000 1.362 206 F HN 0.716 nan 8.300 nan 0.000 0.498 207 G N -0.667 108.188 108.800 0.091 0.000 2.798 207 G HA2 0.444 4.404 3.960 -0.000 0.000 0.286 207 G HA3 0.444 4.404 3.960 -0.000 0.000 0.286 207 G C -0.299 174.662 174.900 0.102 0.000 1.389 207 G CA -0.477 44.614 45.100 -0.015 0.000 0.894 207 G HN 0.722 nan 8.290 nan 0.000 0.488 208 T N -0.721 113.857 114.554 0.039 0.000 2.962 208 T HA 0.057 4.407 4.350 -0.000 0.000 0.270 208 T C 0.697 175.417 174.700 0.034 0.000 1.088 208 T CA 1.606 63.734 62.100 0.047 0.000 1.127 208 T CB -0.069 68.807 68.868 0.014 0.000 0.883 208 T HN 0.532 nan 8.240 nan 0.000 0.493 209 E N -1.292 118.925 120.200 0.028 0.000 2.433 209 E HA 0.485 4.835 4.350 -0.000 0.000 0.278 209 E C -0.113 176.499 176.600 0.019 0.000 0.976 209 E CA -0.154 56.256 56.400 0.017 0.000 0.793 209 E CB 1.763 31.467 29.700 0.006 0.000 1.311 209 E HN 0.194 nan 8.360 nan 0.000 0.460 210 G N 0.749 109.557 108.800 0.013 0.000 2.482 210 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.214 210 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.214 210 G C -0.631 174.277 174.900 0.013 0.000 1.271 210 G CA -0.223 44.883 45.100 0.010 0.000 0.944 210 G HN 0.653 nan 8.290 nan 0.000 0.568 211 T N 2.382 116.941 114.554 0.010 0.000 2.856 211 T HA 0.726 5.076 4.350 -0.000 0.000 0.283 211 T C -2.188 172.519 174.700 0.012 0.000 1.008 211 T CA -0.372 61.733 62.100 0.007 0.000 0.997 211 T CB 1.494 70.359 68.868 -0.004 0.000 0.992 211 T HN 0.741 nan 8.240 nan 0.000 0.454 212 P HA 0.284 nan 4.420 nan 0.000 0.275 212 P C -0.696 176.584 177.300 -0.033 0.000 1.227 212 P CA -0.429 62.680 63.100 0.016 0.000 0.781 212 P CB 0.736 32.448 31.700 0.020 0.000 0.906 213 E N 2.354 122.523 120.200 -0.052 0.000 2.194 213 E HA 0.301 4.651 4.350 -0.000 0.000 0.284 213 E C -0.661 175.861 176.600 -0.130 0.000 1.035 213 E CA -0.460 55.894 56.400 -0.077 0.000 0.836 213 E CB 0.327 29.981 29.700 -0.076 0.000 1.070 213 E HN 0.395 nan 8.360 nan 0.000 0.401 214 I N 4.206 124.701 120.570 -0.126 0.000 2.418 214 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 214 I C -0.229 175.788 176.117 -0.167 0.000 1.008 214 I CA -0.631 60.556 61.300 -0.188 0.000 1.104 214 I CB 1.913 39.810 38.000 -0.170 0.000 1.264 214 I HN 0.446 nan 8.210 nan 0.000 0.438 215 T N 1.159 115.580 114.554 -0.221 0.000 2.876 215 T HA 0.519 4.869 4.350 -0.000 0.000 0.289 215 T C -0.573 174.012 174.700 -0.193 0.000 1.014 215 T CA -0.839 61.183 62.100 -0.130 0.000 0.986 215 T CB 1.773 70.597 68.868 -0.074 0.000 1.021 215 T HN 0.360 nan 8.240 nan 0.000 0.458 216 H N 1.372 120.450 119.070 0.013 0.000 2.479 216 H HA 0.535 5.091 4.556 -0.000 0.000 0.335 216 H C 0.786 176.177 175.328 0.105 0.000 1.142 216 H CA -0.395 55.689 56.048 0.061 0.000 1.234 216 H CB 2.094 31.885 29.762 0.048 0.000 1.503 216 H HN 0.956 nan 8.280 nan 0.000 0.510 217 T N -0.972 113.765 114.554 0.304 0.000 2.867 217 T HA 0.216 4.566 4.350 -0.000 0.000 0.286 217 T C 0.459 175.317 174.700 0.263 0.000 1.022 217 T CA -1.076 61.211 62.100 0.312 0.000 0.933 217 T CB 0.922 70.070 68.868 0.467 0.000 1.280 217 T HN 0.707 nan 8.240 nan 0.000 0.566 218 E N -0.109 120.230 120.200 0.231 0.000 2.392 218 E HA 0.391 4.741 4.350 -0.000 0.000 0.256 218 E C -0.761 175.860 176.600 0.034 0.000 1.145 218 E CA -1.067 55.385 56.400 0.086 0.000 0.929 218 E CB 0.428 30.146 29.700 0.031 0.000 0.998 218 E HN 0.368 nan 8.360 nan 0.000 0.442 219 V N 2.737 122.611 119.914 -0.067 0.000 2.470 219 V HA -0.031 4.089 4.120 -0.000 0.000 0.276 219 V C 0.264 176.200 176.094 -0.262 0.000 1.040 219 V CA -0.020 62.174 62.300 -0.175 0.000 1.008 219 V CB -0.380 31.301 31.823 -0.237 0.000 0.990 219 V HN 0.729 nan 8.190 nan 0.000 0.477 220 F N 3.419 123.066 119.950 -0.504 0.000 2.653 220 F HA 0.477 5.004 4.527 -0.000 0.000 0.304 220 F C 0.383 175.942 175.800 -0.401 0.000 1.092 220 F CA -0.570 57.062 58.000 -0.614 0.000 1.279 220 F CB -0.472 37.889 39.000 -1.065 0.000 1.044 220 F HN 0.675 nan 8.300 nan 0.000 0.564 221 H N -2.555 116.062 119.070 -0.755 0.000 3.085 221 H HA 0.694 5.250 4.556 -0.000 0.000 0.356 221 H C -3.430 171.640 175.328 -0.431 0.000 1.178 221 H CA -2.612 53.063 56.048 -0.621 0.000 1.214 221 H CB 0.584 29.781 29.762 -0.940 0.000 1.881 221 H HN -0.236 nan 8.280 nan 0.000 0.538 222 P HA 0.058 nan 4.420 nan 0.000 0.271 222 P C 0.453 177.666 177.300 -0.145 0.000 1.244 222 P CA -0.187 62.809 63.100 -0.174 0.000 0.793 222 P CB 0.873 32.487 31.700 -0.144 0.000 0.984 223 E N 0.133 120.236 120.200 -0.162 0.000 2.216 223 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 223 E C 0.690 177.141 176.600 -0.248 0.000 0.988 223 E CA 0.846 57.169 56.400 -0.128 0.000 0.834 223 E CB -0.064 29.591 29.700 -0.075 0.000 0.772 223 E HN 0.497 nan 8.360 nan 0.000 0.479 224 D N -0.031 120.169 120.400 -0.334 0.000 2.325 224 D HA -0.039 4.601 4.640 -0.000 0.000 0.225 224 D C -0.123 175.600 176.300 -0.963 0.000 1.096 224 D CA 0.065 53.725 54.000 -0.566 0.000 0.844 224 D CB -0.074 40.584 40.800 -0.236 0.000 0.925 224 D HN 0.037 nan 8.370 nan 0.000 0.513 225 E N 0.283 119.992 120.200 -0.819 0.000 2.114 225 E HA 0.272 4.622 4.350 -0.000 0.000 0.266 225 E C -1.141 174.940 176.600 -0.864 0.000 0.896 225 E CA -0.739 55.246 56.400 -0.692 0.000 0.750 225 E CB 0.552 30.060 29.700 -0.319 0.000 1.121 225 E HN -0.106 nan 8.360 nan 0.000 0.413 226 F N 4.267 123.961 119.950 -0.427 0.000 2.405 226 F HA 0.290 4.817 4.527 -0.000 0.000 0.355 226 F C -0.180 175.310 175.800 -0.517 0.000 1.121 226 F CA -0.882 56.756 58.000 -0.604 0.000 1.112 226 F CB 0.453 38.815 39.000 -1.064 0.000 1.126 226 F HN 0.324 nan 8.300 nan 0.000 0.481 227 L N 5.024 126.040 121.223 -0.345 0.000 2.290 227 L HA 0.385 4.725 4.340 -0.000 0.000 0.284 227 L C 0.474 177.421 176.870 0.129 0.000 1.078 227 L CA -0.576 54.080 54.840 -0.308 0.000 0.815 227 L CB 0.460 41.853 42.059 -1.110 0.000 1.162 227 L HN 0.509 nan 8.230 nan 0.000 0.435 228 I N -0.055 120.751 120.570 0.392 0.000 3.112 228 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 228 I C 0.930 177.268 176.117 0.369 0.000 1.227 228 I CA -0.019 61.536 61.300 0.425 0.000 1.369 228 I CB 0.424 38.644 38.000 0.367 0.000 1.376 228 I HN 0.529 nan 8.210 nan 0.000 0.608 229 N N 1.042 119.811 118.700 0.115 0.000 2.494 229 N HA -0.049 4.691 4.740 -0.000 0.000 0.182 229 N C -0.268 174.910 175.510 -0.554 0.000 1.076 229 N CA 0.838 53.709 53.050 -0.299 0.000 0.908 229 N CB -0.338 37.594 38.487 -0.925 0.000 0.967 229 N HN 0.661 nan 8.380 nan 0.000 0.449 230 H N 0.073 119.024 119.070 -0.198 0.000 2.317 230 H HA 0.281 4.837 4.556 -0.000 0.000 0.231 230 H C -2.166 173.079 175.328 -0.139 0.000 1.442 230 H CA -1.562 54.394 56.048 -0.152 0.000 1.336 230 H CB 0.686 30.337 29.762 -0.186 0.000 1.533 230 H HN 0.140 nan 8.280 nan 0.000 0.522 231 P HA 0.246 nan 4.420 nan 0.000 0.274 231 P C -0.337 176.875 177.300 -0.148 0.000 1.246 231 P CA -0.503 62.263 63.100 -0.557 0.000 0.795 231 P CB 1.391 32.074 31.700 -1.694 0.000 1.006 232 A N 1.700 124.458 122.820 -0.103 0.000 2.292 232 A HA 0.503 4.823 4.320 -0.000 0.000 0.319 232 A C -1.366 176.193 177.584 -0.042 0.000 1.206 232 A CA -0.373 51.719 52.037 0.092 0.000 0.835 232 A CB 0.214 19.310 19.000 0.160 0.000 1.164 232 A HN 0.566 nan 8.150 nan 0.000 0.505 233 Y N 2.126 122.340 120.300 -0.143 0.000 2.346 233 Y HA 0.552 5.102 4.550 -0.000 0.000 0.332 233 Y C -0.194 175.637 175.900 -0.115 0.000 0.985 233 Y CA -1.031 56.811 58.100 -0.430 0.000 1.112 233 Y CB 2.052 39.850 38.460 -1.104 0.000 1.170 233 Y HN 0.548 nan 8.280 nan 0.000 0.447 234 S N 5.784 121.155 115.700 -0.549 0.000 2.474 234 S HA 0.182 4.652 4.470 -0.000 0.000 0.320 234 S C 0.811 174.946 174.600 -0.775 0.000 1.067 234 S CA -0.449 57.515 58.200 -0.393 0.000 1.127 234 S CB 0.880 64.093 63.200 0.021 0.000 0.971 234 S HN 1.003 nan 8.310 nan 0.000 0.472 235 Q N 4.264 123.598 119.800 -0.776 0.000 2.079 235 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 235 Q C 1.512 177.387 176.000 -0.207 0.000 0.974 235 Q CA 1.468 56.938 55.803 -0.556 0.000 0.840 235 Q CB 0.009 28.638 28.738 -0.182 0.000 0.898 235 Q HN 0.694 nan 8.270 nan 0.000 0.430 236 K N -0.778 119.545 120.400 -0.129 0.000 2.283 236 K HA -0.054 4.266 4.320 -0.000 0.000 0.202 236 K C 1.444 178.016 176.600 -0.046 0.000 1.048 236 K CA 0.889 57.143 56.287 -0.054 0.000 0.948 236 K CB 0.178 32.659 32.500 -0.032 0.000 0.742 236 K HN 0.199 nan 8.250 nan 0.000 0.458 237 A N -0.064 122.715 122.820 -0.068 0.000 2.288 237 A HA 0.270 4.590 4.320 -0.000 0.000 0.216 237 A C 1.267 178.811 177.584 -0.067 0.000 1.199 237 A CA 0.548 52.569 52.037 -0.026 0.000 0.891 237 A CB 0.237 19.281 19.000 0.073 0.000 0.923 237 A HN 0.291 nan 8.150 nan 0.000 0.500 238 G N -0.360 108.368 108.800 -0.119 0.000 2.225 238 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 238 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 238 G C 0.188 175.027 174.900 -0.102 0.000 1.024 238 G CA 0.703 45.760 45.100 -0.071 0.000 0.784 238 G HN 0.699 nan 8.290 nan 0.000 0.507 239 R N -0.239 120.155 120.500 -0.177 0.000 2.338 239 R HA 0.725 5.065 4.340 -0.000 0.000 0.317 239 R C -0.385 175.766 176.300 -0.248 0.000 0.968 239 R CA -0.949 54.986 56.100 -0.275 0.000 0.849 239 R CB 0.748 30.764 30.300 -0.473 0.000 1.128 239 R HN 0.251 nan 8.270 nan 0.000 0.448 240 L N 5.609 126.663 121.223 -0.281 0.000 2.294 240 L HA 0.499 4.839 4.340 -0.000 0.000 0.283 240 L C -1.170 175.525 176.870 -0.293 0.000 1.015 240 L CA -0.979 53.648 54.840 -0.354 0.000 0.831 240 L CB 1.588 43.298 42.059 -0.582 0.000 1.217 240 L HN 0.440 nan 8.230 nan 0.000 0.420 241 V N 4.762 124.515 119.914 -0.269 0.000 2.333 241 V HA 0.281 4.401 4.120 -0.000 0.000 0.274 241 V C -0.725 175.352 176.094 -0.029 0.000 1.028 241 V CA -0.407 61.815 62.300 -0.129 0.000 0.851 241 V CB 1.297 33.047 31.823 -0.123 0.000 1.000 241 V HN 0.631 nan 8.190 nan 0.000 0.456 242 W N 8.432 129.705 121.300 -0.045 0.000 2.391 242 W HA 0.494 5.154 4.660 -0.000 0.000 0.312 242 W C -2.868 173.692 176.519 0.069 0.000 1.003 242 W CA -2.819 54.523 57.345 -0.003 0.000 1.375 242 W CB 2.178 31.621 29.460 -0.028 0.000 1.253 242 W HN 0.416 nan 8.180 nan 0.000 0.416 243 P HA 0.261 nan 4.420 nan 0.000 0.276 243 P C 0.098 177.567 177.300 0.283 0.000 1.252 243 P CA 0.318 63.583 63.100 0.274 0.000 0.802 243 P CB 1.299 33.127 31.700 0.214 0.000 1.035 244 T N -2.184 112.477 114.554 0.179 0.000 2.937 244 T HA 0.291 4.641 4.350 -0.000 0.000 0.283 244 T C 0.730 175.579 174.700 0.248 0.000 1.012 244 T CA -0.232 61.949 62.100 0.136 0.000 0.997 244 T CB 0.134 69.018 68.868 0.026 0.000 1.136 244 T HN 0.135 nan 8.240 nan 0.000 0.551 245 Y N 1.044 121.369 120.300 0.042 0.000 2.384 245 Y HA -0.035 4.515 4.550 -0.000 0.000 0.289 245 Y C 2.980 178.879 175.900 -0.002 0.000 1.152 245 Y CA 1.596 59.706 58.100 0.016 0.000 1.258 245 Y CB -1.235 37.201 38.460 -0.040 0.000 0.979 245 Y HN 0.908 nan 8.280 nan 0.000 0.549 246 T N -4.779 109.864 114.554 0.148 0.000 3.081 246 T HA 0.391 4.741 4.350 -0.000 0.000 0.250 246 T C 1.716 176.454 174.700 0.063 0.000 1.100 246 T CA 0.582 62.725 62.100 0.072 0.000 1.038 246 T CB 0.000 68.883 68.868 0.025 0.000 0.962 246 T HN 0.385 nan 8.240 nan 0.000 0.516 247 G N 1.443 110.291 108.800 0.080 0.000 2.176 247 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 247 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 247 G C -0.073 174.841 174.900 0.024 0.000 0.986 247 G CA 0.034 45.173 45.100 0.065 0.000 0.643 247 G HN 0.828 nan 8.290 nan 0.000 0.522 248 K N 0.736 121.133 120.400 -0.004 0.000 2.322 248 K HA 0.571 4.891 4.320 -0.000 0.000 0.283 248 K C 0.103 176.653 176.600 -0.083 0.000 1.042 248 K CA -0.478 55.763 56.287 -0.077 0.000 0.958 248 K CB 0.174 32.597 32.500 -0.128 0.000 0.984 248 K HN 0.240 nan 8.250 nan 0.000 0.473 249 I N 5.145 125.652 120.570 -0.105 0.000 2.362 249 I HA 0.171 4.341 4.170 -0.000 0.000 0.289 249 I C -0.117 175.942 176.117 -0.096 0.000 0.994 249 I CA -0.849 60.426 61.300 -0.041 0.000 1.158 249 I CB 1.128 39.135 38.000 0.011 0.000 1.315 249 I HN 0.545 nan 8.210 nan 0.000 0.451 250 H N 6.397 125.533 119.070 0.111 0.000 2.517 250 H HA 0.408 4.964 4.556 -0.000 0.000 0.317 250 H C -0.694 174.693 175.328 0.098 0.000 1.080 250 H CA -0.303 55.828 56.048 0.139 0.000 1.301 250 H CB 1.558 31.467 29.762 0.246 0.000 1.425 250 H HN 0.523 nan 8.280 nan 0.000 0.471 251 Q N 2.882 122.770 119.800 0.147 0.000 2.340 251 Q HA 0.423 4.763 4.340 -0.000 0.000 0.268 251 Q C -0.801 175.166 176.000 -0.056 0.000 1.031 251 Q CA -0.957 54.848 55.803 0.003 0.000 0.804 251 Q CB 2.379 31.086 28.738 -0.052 0.000 1.286 251 Q HN 0.430 nan 8.270 nan 0.000 0.448 252 I N 1.422 121.877 120.570 -0.191 0.000 2.465 252 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 252 I C -0.655 175.245 176.117 -0.362 0.000 1.014 252 I CA -0.579 60.504 61.300 -0.362 0.000 1.093 252 I CB 1.791 39.469 38.000 -0.537 0.000 1.267 252 I HN 0.447 nan 8.210 nan 0.000 0.431 253 D N 5.689 125.876 120.400 -0.354 0.000 2.329 253 D HA 0.403 5.043 4.640 -0.000 0.000 0.232 253 D C -0.054 176.048 176.300 -0.330 0.000 1.088 253 D CA -0.178 53.656 54.000 -0.278 0.000 0.835 253 D CB 1.146 41.830 40.800 -0.192 0.000 1.078 253 D HN 0.263 nan 8.370 nan 0.000 0.495 254 L N 3.086 124.128 121.223 -0.301 0.000 2.728 254 L HA 0.118 4.458 4.340 -0.000 0.000 0.238 254 L C 2.190 178.971 176.870 -0.147 0.000 1.143 254 L CA 0.266 54.910 54.840 -0.327 0.000 0.937 254 L CB -0.654 41.141 42.059 -0.439 0.000 1.225 254 L HN 0.562 nan 8.230 nan 0.000 0.507 255 S N -0.941 114.694 115.700 -0.108 0.000 2.419 255 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 255 S C 2.018 176.601 174.600 -0.029 0.000 1.019 255 S CA 1.468 59.638 58.200 -0.051 0.000 0.982 255 S CB -0.537 62.635 63.200 -0.048 0.000 0.789 255 S HN 0.528 nan 8.310 nan 0.000 0.490 256 S N 0.087 115.761 115.700 -0.043 0.000 2.527 256 S HA 0.462 4.932 4.470 -0.000 0.000 0.222 256 S C 1.663 176.269 174.600 0.010 0.000 0.985 256 S CA 0.675 58.864 58.200 -0.018 0.000 0.921 256 S CB -0.337 62.846 63.200 -0.029 0.000 0.772 256 S HN 1.460 nan 8.310 nan 0.000 0.529 257 G N 0.284 109.100 108.800 0.026 0.000 2.278 257 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.210 257 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.210 257 G C -0.425 174.580 174.900 0.175 0.000 1.000 257 G CA 0.082 45.241 45.100 0.099 0.000 0.635 257 G HN 0.538 nan 8.290 nan 0.000 0.495 258 D N 0.568 121.017 120.400 0.082 0.000 2.433 258 D HA 0.651 5.291 4.640 -0.000 0.000 0.236 258 D C 0.353 176.594 176.300 -0.097 0.000 1.026 258 D CA 0.402 54.467 54.000 0.107 0.000 0.884 258 D CB 1.743 42.577 40.800 0.058 0.000 1.384 258 D HN 0.581 nan 8.370 nan 0.000 0.477 259 A N 1.577 124.302 122.820 -0.158 0.000 2.409 259 A HA 0.277 4.597 4.320 -0.000 0.000 0.267 259 A C 0.158 177.429 177.584 -0.522 0.000 1.127 259 A CA 0.043 51.779 52.037 -0.502 0.000 0.795 259 A CB 0.236 18.877 19.000 -0.598 0.000 1.061 259 A HN 0.412 nan 8.150 nan 0.000 0.502 260 K N 3.419 123.473 120.400 -0.576 0.000 2.450 260 K HA 0.491 4.811 4.320 -0.000 0.000 0.257 260 K C -1.770 174.534 176.600 -0.493 0.000 0.953 260 K CA -0.445 55.603 56.287 -0.399 0.000 0.844 260 K CB 0.610 32.988 32.500 -0.204 0.000 1.103 260 K HN 0.478 nan 8.250 nan 0.000 0.429 261 F N 4.809 124.702 119.950 -0.095 0.000 2.444 261 F HA 0.205 4.732 4.527 -0.000 0.000 0.360 261 F C 0.284 176.060 175.800 -0.040 0.000 1.106 261 F CA -0.651 57.296 58.000 -0.088 0.000 1.170 261 F CB 0.372 39.340 39.000 -0.053 0.000 1.113 261 F HN 0.307 nan 8.300 nan 0.000 0.521 262 L N 5.135 126.411 121.223 0.087 0.000 2.468 262 L HA 0.415 4.755 4.340 -0.000 0.000 0.254 262 L C -1.883 175.041 176.870 0.089 0.000 1.171 262 L CA -2.170 52.703 54.840 0.054 0.000 0.809 262 L CB -0.458 41.602 42.059 0.001 0.000 1.155 262 L HN 0.367 nan 8.230 nan 0.000 0.473 263 P HA 0.252 nan 4.420 nan 0.000 0.271 263 P C -1.039 176.274 177.300 0.021 0.000 1.216 263 P CA -0.351 62.773 63.100 0.040 0.000 0.771 263 P CB 0.605 32.315 31.700 0.017 0.000 0.864 264 A N 2.816 125.637 122.820 0.001 0.000 2.386 264 A HA 0.522 4.842 4.320 -0.000 0.000 0.248 264 A C 0.125 177.665 177.584 -0.073 0.000 1.082 264 A CA -0.172 51.818 52.037 -0.079 0.000 0.789 264 A CB 0.077 18.954 19.000 -0.205 0.000 1.025 264 A HN 0.488 nan 8.150 nan 0.000 0.490 265 V N -0.919 118.945 119.914 -0.083 0.000 2.962 265 V HA 0.678 4.798 4.120 -0.000 0.000 0.313 265 V C -0.656 175.396 176.094 -0.070 0.000 1.099 265 V CA -1.019 61.244 62.300 -0.063 0.000 0.971 265 V CB 2.017 33.814 31.823 -0.043 0.000 1.028 265 V HN 0.782 nan 8.190 nan 0.000 0.430 266 E N 2.104 122.268 120.200 -0.061 0.000 2.167 266 E HA 0.541 4.891 4.350 -0.000 0.000 0.284 266 E C 0.801 177.371 176.600 -0.051 0.000 1.016 266 E CA 0.157 56.524 56.400 -0.056 0.000 0.817 266 E CB 1.901 31.568 29.700 -0.054 0.000 1.080 266 E HN 0.948 nan 8.360 nan 0.000 0.397 267 A N 4.439 127.237 122.820 -0.036 0.000 2.016 267 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 267 A C 0.923 178.473 177.584 -0.056 0.000 1.162 267 A CA 0.552 52.567 52.037 -0.036 0.000 0.662 267 A CB 0.156 19.155 19.000 -0.002 0.000 0.812 267 A HN 0.509 nan 8.150 nan 0.000 0.450 268 L N 0.875 122.068 121.223 -0.050 0.000 2.322 268 L HA 0.337 4.677 4.340 -0.000 0.000 0.279 268 L C 0.871 177.679 176.870 -0.104 0.000 1.036 268 L CA -0.721 54.069 54.840 -0.082 0.000 0.807 268 L CB 1.801 43.844 42.059 -0.027 0.000 1.226 268 L HN 0.328 nan 8.230 nan 0.000 0.433 269 T N -2.229 112.229 114.554 -0.159 0.000 2.766 269 T HA 0.085 4.435 4.350 -0.000 0.000 0.295 269 T C 1.013 175.646 174.700 -0.111 0.000 1.024 269 T CA -0.660 61.355 62.100 -0.141 0.000 1.018 269 T CB 0.983 69.743 68.868 -0.179 0.000 1.002 269 T HN 0.532 nan 8.240 nan 0.000 0.532 270 E N 0.840 120.988 120.200 -0.087 0.000 2.085 270 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 270 E C 2.466 179.030 176.600 -0.061 0.000 0.994 270 E CA 1.614 57.977 56.400 -0.062 0.000 0.801 270 E CB -1.035 28.634 29.700 -0.052 0.000 0.743 270 E HN 0.830 nan 8.360 nan 0.000 0.453 271 A N 1.485 124.253 122.820 -0.087 0.000 1.898 271 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 271 A C 2.072 179.602 177.584 -0.090 0.000 1.181 271 A CA 1.567 53.555 52.037 -0.082 0.000 0.620 271 A CB -0.466 18.471 19.000 -0.104 0.000 0.819 271 A HN 0.226 nan 8.150 nan 0.000 0.442 272 E N -0.409 119.673 120.200 -0.197 0.000 2.077 272 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 272 E C 2.322 178.955 176.600 0.054 0.000 0.989 272 E CA 1.097 57.326 56.400 -0.285 0.000 0.800 272 E CB -0.198 29.143 29.700 -0.599 0.000 0.746 272 E HN 0.500 nan 8.360 nan 0.000 0.452 273 R N 0.410 120.919 120.500 0.015 0.000 2.092 273 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 273 R C 2.356 178.694 176.300 0.064 0.000 1.119 273 R CA 1.044 57.179 56.100 0.059 0.000 0.970 273 R CB -0.289 30.020 30.300 0.014 0.000 0.864 273 R HN 0.109 nan 8.270 nan 0.000 0.440 274 A N 1.307 124.150 122.820 0.039 0.000 1.969 274 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 274 A C 1.276 178.900 177.584 0.067 0.000 1.169 274 A CA 1.341 53.400 52.037 0.037 0.000 0.635 274 A CB -0.092 18.917 19.000 0.015 0.000 0.810 274 A HN 0.129 nan 8.150 nan 0.000 0.445 275 D N -0.939 119.536 120.400 0.124 0.000 2.319 275 D HA 0.267 4.907 4.640 -0.000 0.000 0.230 275 D C 1.168 177.566 176.300 0.165 0.000 1.094 275 D CA 0.970 55.071 54.000 0.169 0.000 0.856 275 D CB -0.011 40.945 40.800 0.260 0.000 0.915 275 D HN 0.570 nan 8.370 nan 0.000 0.517 276 G N 0.791 109.672 108.800 0.135 0.000 2.137 276 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.237 276 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.237 276 G C -0.253 174.661 174.900 0.024 0.000 1.002 276 G CA -0.469 44.661 45.100 0.050 0.000 0.702 276 G HN 0.151 nan 8.290 nan 0.000 0.515 277 W N 0.174 121.443 121.300 -0.052 0.000 2.272 277 W HA 0.780 5.440 4.660 -0.000 0.000 0.318 277 W C 1.010 177.507 176.519 -0.036 0.000 1.255 277 W CA -0.253 57.058 57.345 -0.057 0.000 1.200 277 W CB 0.648 30.056 29.460 -0.087 0.000 1.170 277 W HN 0.199 nan 8.180 nan 0.000 0.549 278 R N 3.202 123.793 120.500 0.151 0.000 2.680 278 R HA 0.354 4.694 4.340 -0.000 0.000 0.269 278 R C -2.527 173.840 176.300 0.111 0.000 1.026 278 R CA -1.906 54.255 56.100 0.102 0.000 0.889 278 R CB 2.426 32.742 30.300 0.027 0.000 1.241 278 R HN 0.123 nan 8.270 nan 0.000 0.463 279 P HA 0.271 nan 4.420 nan 0.000 0.274 279 P C -0.661 176.696 177.300 0.095 0.000 1.246 279 P CA -0.185 62.990 63.100 0.125 0.000 0.795 279 P CB 1.106 32.886 31.700 0.133 0.000 1.006 280 G N -1.425 107.439 108.800 0.107 0.000 2.691 280 G HA2 0.578 4.538 3.960 -0.000 0.000 0.298 280 G HA3 0.578 4.538 3.960 -0.000 0.000 0.298 280 G C -0.787 174.176 174.900 0.106 0.000 1.471 280 G CA 0.073 45.227 45.100 0.090 0.000 0.912 280 G HN 0.819 nan 8.290 nan 0.000 0.553 281 G N -0.172 108.695 108.800 0.112 0.000 2.288 281 G HA2 0.158 4.118 3.960 -0.000 0.000 0.227 281 G HA3 0.158 4.118 3.960 -0.000 0.000 0.227 281 G C 0.187 175.210 174.900 0.205 0.000 1.339 281 G CA 0.350 45.538 45.100 0.147 0.000 1.057 281 G HN 1.040 nan 8.290 nan 0.000 0.470 282 W N 0.207 121.455 121.300 -0.087 0.000 3.695 282 W HA 0.330 4.989 4.660 -0.000 0.000 0.238 282 W C 0.542 176.796 176.519 -0.442 0.000 1.486 282 W CA 0.480 57.661 57.345 -0.274 0.000 2.366 282 W CB 0.197 29.534 29.460 -0.205 0.000 1.392 282 W HN 0.456 nan 8.180 nan 0.000 0.556 283 Q N 2.446 122.165 119.800 -0.134 0.000 2.534 283 Q HA -0.007 4.333 4.340 -0.000 0.000 0.223 283 Q C 0.871 176.909 176.000 0.063 0.000 1.239 283 Q CA 0.201 55.962 55.803 -0.070 0.000 0.936 283 Q CB 0.711 29.516 28.738 0.111 0.000 1.457 283 Q HN 0.383 nan 8.270 nan 0.000 0.547 284 Q N 0.210 120.046 119.800 0.060 0.000 2.378 284 Q HA 0.036 4.376 4.340 -0.000 0.000 0.205 284 Q C 0.372 176.464 176.000 0.154 0.000 0.954 284 Q CA 0.434 56.309 55.803 0.119 0.000 0.901 284 Q CB 0.691 29.503 28.738 0.122 0.000 0.981 284 Q HN 0.317 nan 8.270 nan 0.000 0.483 285 V N -0.584 119.427 119.914 0.162 0.000 2.925 285 V HA 0.814 4.934 4.120 -0.000 0.000 0.311 285 V C -1.836 174.390 176.094 0.219 0.000 1.104 285 V CA -0.715 61.700 62.300 0.192 0.000 0.954 285 V CB 2.002 33.926 31.823 0.168 0.000 1.022 285 V HN 0.054 nan 8.190 nan 0.000 0.427 286 A N 4.662 127.649 122.820 0.278 0.000 2.498 286 A HA 0.882 5.202 4.320 -0.000 0.000 0.298 286 A C -2.099 175.743 177.584 0.429 0.000 1.075 286 A CA -0.542 51.671 52.037 0.293 0.000 0.714 286 A CB 1.852 20.964 19.000 0.186 0.000 1.299 286 A HN 1.459 nan 8.150 nan 0.000 0.407 287 Y N 0.594 121.033 120.300 0.232 0.000 2.373 287 Y HA 0.579 5.129 4.550 -0.000 0.000 0.336 287 Y C -0.825 175.212 175.900 0.229 0.000 0.979 287 Y CA -0.562 57.680 58.100 0.237 0.000 1.080 287 Y CB 1.574 40.105 38.460 0.118 0.000 1.190 287 Y HN 0.882 nan 8.280 nan 0.000 0.446 288 H N 5.948 124.775 119.070 -0.405 0.000 2.556 288 H HA 0.366 4.922 4.556 -0.000 0.000 0.310 288 H C 1.181 176.046 175.328 -0.771 0.000 1.057 288 H CA -0.167 55.667 56.048 -0.358 0.000 1.264 288 H CB 0.933 30.680 29.762 -0.024 0.000 1.404 288 H HN 0.881 nan 8.280 nan 0.000 0.462 289 R N 3.646 123.685 120.500 -0.768 0.000 2.082 289 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 289 R C 1.865 178.048 176.300 -0.196 0.000 1.136 289 R CA 1.739 57.581 56.100 -0.430 0.000 0.935 289 R CB -0.392 29.799 30.300 -0.181 0.000 0.842 289 R HN 0.712 nan 8.270 nan 0.000 0.430 290 A N 0.794 123.512 122.820 -0.171 0.000 1.908 290 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 290 A C 2.139 179.806 177.584 0.138 0.000 1.181 290 A CA 1.327 53.387 52.037 0.039 0.000 0.627 290 A CB -0.422 18.637 19.000 0.098 0.000 0.818 290 A HN 0.395 nan 8.150 nan 0.000 0.445 291 L N -1.465 119.954 121.223 0.327 0.000 2.509 291 L HA 0.038 4.378 4.340 -0.000 0.000 0.222 291 L C 0.562 177.464 176.870 0.054 0.000 1.123 291 L CA 0.539 55.456 54.840 0.129 0.000 0.856 291 L CB -0.263 41.794 42.059 -0.003 0.000 0.985 291 L HN 0.467 nan 8.230 nan 0.000 0.456 292 D N 1.405 121.808 120.400 0.005 0.000 2.697 292 D HA -0.208 4.432 4.640 -0.000 0.000 0.238 292 D C 0.104 176.435 176.300 0.052 0.000 1.152 292 D CA 0.661 54.673 54.000 0.020 0.000 0.666 292 D CB -0.273 40.593 40.800 0.109 0.000 1.037 292 D HN 0.286 nan 8.370 nan 0.000 0.423 293 R N 0.088 120.567 120.500 -0.034 0.000 2.803 293 R HA 0.763 5.103 4.340 -0.000 0.000 0.276 293 R C -0.042 176.279 176.300 0.034 0.000 0.978 293 R CA -1.035 55.035 56.100 -0.049 0.000 0.939 293 R CB 1.509 31.696 30.300 -0.189 0.000 1.179 293 R HN 0.131 nan 8.270 nan 0.000 0.472 294 I N 2.112 122.652 120.570 -0.050 0.000 2.441 294 I HA 0.354 4.524 4.170 -0.000 0.000 0.295 294 I C -1.120 174.900 176.117 -0.162 0.000 0.994 294 I CA -0.838 60.517 61.300 0.093 0.000 1.144 294 I CB 1.333 39.407 38.000 0.123 0.000 1.314 294 I HN 0.413 nan 8.210 nan 0.000 0.445 295 Y N 6.079 126.450 120.300 0.118 0.000 2.376 295 Y HA 0.652 5.202 4.550 -0.000 0.000 0.340 295 Y C -0.599 175.365 175.900 0.106 0.000 0.965 295 Y CA -0.913 57.244 58.100 0.095 0.000 1.078 295 Y CB 1.786 40.315 38.460 0.114 0.000 1.193 295 Y HN 0.323 nan 8.280 nan 0.000 0.452 296 L N 3.788 125.134 121.223 0.205 0.000 2.410 296 L HA 0.587 4.927 4.340 -0.000 0.000 0.270 296 L C -1.559 175.421 176.870 0.183 0.000 0.983 296 L CA -0.642 54.304 54.840 0.177 0.000 0.822 296 L CB 1.721 43.856 42.059 0.127 0.000 1.285 296 L HN 0.656 nan 8.230 nan 0.000 0.409 297 L N 5.849 127.182 121.223 0.184 0.000 2.315 297 L HA 0.584 4.924 4.340 -0.000 0.000 0.283 297 L C -0.348 176.642 176.870 0.201 0.000 1.089 297 L CA -0.337 54.617 54.840 0.191 0.000 0.833 297 L CB 1.008 43.166 42.059 0.165 0.000 1.170 297 L HN 0.620 nan 8.230 nan 0.000 0.442 298 V N 0.370 120.443 119.914 0.264 0.000 3.160 298 V HA 0.795 4.915 4.120 -0.000 0.000 0.310 298 V C -1.088 175.212 176.094 0.343 0.000 1.181 298 V CA -0.629 61.846 62.300 0.292 0.000 1.047 298 V CB 2.439 34.466 31.823 0.340 0.000 1.068 298 V HN 0.708 nan 8.190 nan 0.000 0.441 299 D N -0.640 119.859 120.400 0.164 0.000 2.808 299 D HA 0.214 4.854 4.640 -0.000 0.000 0.294 299 D C -1.542 174.388 176.300 -0.617 0.000 1.278 299 D CA -0.476 53.367 54.000 -0.260 0.000 0.756 299 D CB 2.038 42.822 40.800 -0.027 0.000 1.271 299 D HN 0.806 nan 8.370 nan 0.000 0.425 300 Q N 0.996 120.213 119.800 -0.971 0.000 2.279 300 Q HA 0.533 4.873 4.340 -0.000 0.000 0.256 300 Q C -0.224 175.575 176.000 -0.335 0.000 0.937 300 Q CA -0.076 55.269 55.803 -0.764 0.000 0.933 300 Q CB 1.470 29.727 28.738 -0.803 0.000 1.189 300 Q HN 0.313 nan 8.270 nan 0.000 0.417 301 R N 0.075 120.453 120.500 -0.203 0.000 2.712 301 R HA 0.377 4.717 4.340 -0.000 0.000 0.272 301 R C -1.606 174.657 176.300 -0.062 0.000 1.032 301 R CA -1.043 54.996 56.100 -0.102 0.000 0.874 301 R CB 0.703 30.965 30.300 -0.065 0.000 1.256 301 R HN 0.442 nan 8.270 nan 0.000 0.468 302 D N 0.133 120.518 120.400 -0.024 0.000 2.362 302 D HA -0.021 4.619 4.640 -0.000 0.000 0.242 302 D C 0.907 177.187 176.300 -0.034 0.000 1.132 302 D CA -0.148 53.850 54.000 -0.003 0.000 0.907 302 D CB 1.192 42.024 40.800 0.055 0.000 1.195 302 D HN 0.652 nan 8.370 nan 0.000 0.429 303 E N 1.200 121.329 120.200 -0.118 0.000 2.267 303 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 303 E C 0.559 176.910 176.600 -0.415 0.000 0.998 303 E CA 0.869 57.073 56.400 -0.327 0.000 0.830 303 E CB -0.230 29.155 29.700 -0.524 0.000 0.751 303 E HN 0.626 nan 8.360 nan 0.000 0.491 304 W N 0.653 122.022 121.300 0.115 0.000 3.194 304 W HA 0.295 4.955 4.660 -0.000 0.000 0.408 304 W C 0.399 177.028 176.519 0.184 0.000 1.072 304 W CA -0.969 56.493 57.345 0.194 0.000 1.953 304 W CB 0.832 30.377 29.460 0.142 0.000 1.091 304 W HN -0.183 nan 8.180 nan 0.000 0.699 305 R N 0.841 121.488 120.500 0.246 0.000 2.865 305 R HA 0.082 4.422 4.340 -0.000 0.000 0.370 305 R C 1.279 177.601 176.300 0.037 0.000 1.168 305 R CA -0.053 56.108 56.100 0.101 0.000 1.058 305 R CB -1.027 29.311 30.300 0.063 0.000 1.419 305 R HN 0.469 nan 8.270 nan 0.000 0.580 306 H N -0.857 118.181 119.070 -0.054 0.000 2.559 306 H HA 0.133 4.689 4.556 -0.000 0.000 0.273 306 H C 0.249 175.563 175.328 -0.023 0.000 1.000 306 H CA 0.402 56.368 56.048 -0.138 0.000 1.195 306 H CB 0.363 29.849 29.762 -0.459 0.000 1.368 306 H HN 0.063 nan 8.280 nan 0.000 0.592 307 K N 1.383 121.649 120.400 -0.224 0.000 2.358 307 K HA 0.084 4.404 4.320 -0.000 0.000 0.200 307 K C 0.366 176.989 176.600 0.038 0.000 1.030 307 K CA 0.237 56.503 56.287 -0.035 0.000 1.097 307 K CB 0.934 33.418 32.500 -0.026 0.000 0.862 307 K HN 0.326 nan 8.250 nan 0.000 0.534 308 T N -0.988 113.573 114.554 0.013 0.000 2.882 308 T HA 0.501 4.851 4.350 -0.000 0.000 0.287 308 T C 0.537 175.267 174.700 0.051 0.000 1.014 308 T CA -0.945 61.172 62.100 0.028 0.000 1.049 308 T CB 1.560 70.438 68.868 0.016 0.000 1.001 308 T HN 0.094 nan 8.240 nan 0.000 0.525 309 A N 1.901 124.751 122.820 0.049 0.000 2.466 309 A HA 0.534 4.854 4.320 -0.000 0.000 0.238 309 A C 0.560 178.181 177.584 0.062 0.000 1.074 309 A CA -0.517 51.557 52.037 0.061 0.000 0.774 309 A CB -0.209 18.823 19.000 0.053 0.000 1.015 309 A HN 0.857 nan 8.150 nan 0.000 0.498 310 S N -0.528 115.220 115.700 0.081 0.000 2.600 310 S HA 0.549 5.019 4.470 -0.000 0.000 0.300 310 S C 0.587 175.234 174.600 0.079 0.000 1.087 310 S CA -0.713 57.549 58.200 0.103 0.000 0.965 310 S CB 1.747 65.037 63.200 0.149 0.000 1.089 310 S HN 0.646 nan 8.310 nan 0.000 0.496 311 R N -0.116 120.435 120.500 0.085 0.000 2.437 311 R HA 0.327 4.667 4.340 -0.000 0.000 0.257 311 R C -0.992 175.053 176.300 -0.424 0.000 0.927 311 R CA 0.309 56.302 56.100 -0.178 0.000 1.078 311 R CB 0.316 30.427 30.300 -0.314 0.000 1.161 311 R HN 0.411 nan 8.270 nan 0.000 0.529 312 F N -0.737 119.293 119.950 0.135 0.000 2.588 312 F HA 0.500 5.027 4.527 -0.000 0.000 0.314 312 F C -0.277 175.626 175.800 0.172 0.000 1.069 312 F CA -1.313 56.801 58.000 0.190 0.000 0.931 312 F CB 1.796 40.996 39.000 0.335 0.000 1.260 312 F HN -0.442 nan 8.300 nan 0.000 0.465 313 V N 2.677 122.796 119.914 0.341 0.000 2.577 313 V HA 0.597 4.717 4.120 -0.000 0.000 0.303 313 V C -0.847 175.306 176.094 0.099 0.000 1.042 313 V CA -0.918 61.526 62.300 0.240 0.000 0.872 313 V CB 1.993 33.984 31.823 0.279 0.000 0.998 313 V HN 0.650 nan 8.190 nan 0.000 0.423 314 V N 3.450 123.387 119.914 0.039 0.000 2.612 314 V HA 0.853 4.973 4.120 -0.000 0.000 0.301 314 V C -0.430 175.559 176.094 -0.176 0.000 1.046 314 V CA -0.668 61.562 62.300 -0.117 0.000 0.946 314 V CB 1.734 33.499 31.823 -0.096 0.000 1.003 314 V HN 0.489 nan 8.190 nan 0.000 0.459 315 V N 5.576 125.298 119.914 -0.321 0.000 2.487 315 V HA 0.677 4.797 4.120 -0.000 0.000 0.298 315 V C -0.187 175.721 176.094 -0.310 0.000 1.028 315 V CA -0.392 61.662 62.300 -0.411 0.000 0.860 315 V CB 1.198 32.713 31.823 -0.514 0.000 0.991 315 V HN 1.038 nan 8.190 nan 0.000 0.427 316 L N 0.508 121.568 121.223 -0.273 0.000 2.376 316 L HA 0.780 5.120 4.340 -0.000 0.000 0.258 316 L C -0.594 176.194 176.870 -0.136 0.000 1.013 316 L CA -0.750 53.987 54.840 -0.172 0.000 0.822 316 L CB 2.171 44.160 42.059 -0.116 0.000 1.388 316 L HN 0.466 nan 8.230 nan 0.000 0.413 317 D N 1.265 121.611 120.400 -0.090 0.000 2.343 317 D HA 0.254 4.894 4.640 -0.000 0.000 0.255 317 D C 0.914 177.208 176.300 -0.009 0.000 1.187 317 D CA 0.495 54.467 54.000 -0.048 0.000 0.875 317 D CB 2.229 43.005 40.800 -0.040 0.000 1.136 317 D HN 0.791 nan 8.370 nan 0.000 0.469 318 A N 5.620 128.466 122.820 0.043 0.000 2.019 318 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 318 A C 2.055 179.665 177.584 0.042 0.000 1.164 318 A CA 0.993 53.078 52.037 0.080 0.000 0.644 318 A CB -0.065 19.065 19.000 0.218 0.000 0.805 318 A HN 0.524 nan 8.150 nan 0.000 0.449 319 K N -0.745 119.676 120.400 0.034 0.000 2.044 319 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 319 K C 2.179 178.780 176.600 0.002 0.000 1.049 319 K CA 1.929 58.227 56.287 0.018 0.000 0.945 319 K CB -0.432 32.078 32.500 0.018 0.000 0.724 319 K HN 0.688 nan 8.250 nan 0.000 0.440 320 T N -4.050 110.500 114.554 -0.006 0.000 3.015 320 T HA 0.188 4.538 4.350 -0.000 0.000 0.250 320 T C 1.304 175.990 174.700 -0.025 0.000 1.057 320 T CA 0.881 62.972 62.100 -0.016 0.000 1.066 320 T CB 0.624 69.480 68.868 -0.020 0.000 0.959 320 T HN 0.310 nan 8.240 nan 0.000 0.488 321 G N 1.642 110.425 108.800 -0.028 0.000 2.157 321 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 321 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 321 G C -0.160 174.707 174.900 -0.054 0.000 0.979 321 G CA 0.224 45.300 45.100 -0.040 0.000 0.650 321 G HN 0.941 nan 8.290 nan 0.000 0.529 322 E N 0.435 120.602 120.200 -0.054 0.000 2.376 322 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 322 E C 0.775 177.323 176.600 -0.088 0.000 1.009 322 E CA -0.658 55.703 56.400 -0.065 0.000 0.902 322 E CB 0.339 30.005 29.700 -0.056 0.000 0.972 322 E HN 0.312 nan 8.360 nan 0.000 0.439 323 R N 4.566 125.006 120.500 -0.099 0.000 2.370 323 R HA 0.067 4.407 4.340 -0.000 0.000 0.309 323 R C 0.106 176.326 176.300 -0.133 0.000 1.059 323 R CA 0.411 56.434 56.100 -0.129 0.000 0.981 323 R CB 0.140 30.359 30.300 -0.135 0.000 0.972 323 R HN 0.747 nan 8.270 nan 0.000 0.437 324 L N 2.422 123.547 121.223 -0.164 0.000 2.357 324 L HA 0.448 4.787 4.340 -0.000 0.000 0.211 324 L C 0.559 177.319 176.870 -0.183 0.000 1.075 324 L CA 0.543 55.291 54.840 -0.153 0.000 0.830 324 L CB -0.028 41.936 42.059 -0.159 0.000 0.996 324 L HN 0.770 nan 8.230 nan 0.000 0.467 325 A N -0.048 122.602 122.820 -0.284 0.000 2.586 325 A HA 0.577 4.897 4.320 -0.000 0.000 0.291 325 A C -1.469 175.816 177.584 -0.497 0.000 1.062 325 A CA -0.558 51.247 52.037 -0.386 0.000 0.666 325 A CB 1.497 20.176 19.000 -0.534 0.000 1.281 325 A HN -0.048 nan 8.150 nan 0.000 0.421 326 K N 1.124 121.264 120.400 -0.433 0.000 2.613 326 K HA 0.622 4.942 4.320 -0.000 0.000 0.248 326 K C -1.972 174.584 176.600 -0.073 0.000 0.959 326 K CA -0.371 55.754 56.287 -0.269 0.000 0.855 326 K CB 0.660 33.071 32.500 -0.148 0.000 1.143 326 K HN 0.442 nan 8.250 nan 0.000 0.437 327 F N 2.040 122.067 119.950 0.129 0.000 2.420 327 F HA 0.293 4.820 4.527 -0.000 0.000 0.342 327 F C 0.561 176.431 175.800 0.117 0.000 1.113 327 F CA -1.014 57.048 58.000 0.104 0.000 1.059 327 F CB 1.504 40.531 39.000 0.045 0.000 1.128 327 F HN 0.486 nan 8.300 nan 0.000 0.475 328 E N 3.532 123.884 120.200 0.254 0.000 1.941 328 E HA 0.117 4.466 4.350 -0.000 0.000 0.275 328 E C 0.736 177.253 176.600 -0.140 0.000 1.113 328 E CA -0.278 56.089 56.400 -0.056 0.000 0.878 328 E CB 0.444 30.181 29.700 0.062 0.000 1.070 328 E HN 0.512 nan 8.360 nan 0.000 0.399 329 M N 1.970 121.413 119.600 -0.262 0.000 2.229 329 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 329 M C 1.622 177.786 176.300 -0.227 0.000 1.063 329 M CA 1.284 56.469 55.300 -0.190 0.000 1.114 329 M CB -0.869 31.620 32.600 -0.184 0.000 1.387 329 M HN 0.796 nan 8.290 nan 0.000 0.420 330 G N 0.313 108.894 108.800 -0.364 0.000 2.179 330 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 330 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 330 G C -0.006 174.405 174.900 -0.815 0.000 0.977 330 G CA 0.751 45.538 45.100 -0.521 0.000 0.641 330 G HN 0.573 nan 8.290 nan 0.000 0.533 331 H N -1.134 117.775 119.070 -0.269 0.000 2.990 331 H HA 0.535 5.091 4.556 -0.000 0.000 0.343 331 H C -0.962 174.275 175.328 -0.151 0.000 1.270 331 H CA -1.022 54.870 56.048 -0.260 0.000 1.118 331 H CB 0.885 30.329 29.762 -0.531 0.000 1.861 331 H HN 0.031 nan 8.280 nan 0.000 0.544 332 E N 2.003 122.247 120.200 0.073 0.000 2.003 332 E HA 0.125 4.475 4.350 -0.000 0.000 0.279 332 E C -0.277 176.375 176.600 0.086 0.000 1.132 332 E CA -0.087 56.345 56.400 0.054 0.000 0.888 332 E CB 0.434 30.167 29.700 0.054 0.000 1.056 332 E HN 0.259 nan 8.360 nan 0.000 0.399 333 I N 2.873 123.488 120.570 0.076 0.000 2.359 333 I HA 0.126 4.296 4.170 -0.000 0.000 0.294 333 I C 1.137 177.315 176.117 0.102 0.000 0.987 333 I CA -0.269 61.093 61.300 0.104 0.000 1.225 333 I CB 1.234 39.291 38.000 0.095 0.000 1.366 333 I HN 0.353 nan 8.210 nan 0.000 0.466 334 D N 2.991 123.455 120.400 0.106 0.000 2.394 334 D HA 0.076 4.716 4.640 -0.000 0.000 0.226 334 D C 0.043 176.435 176.300 0.154 0.000 0.990 334 D CA 0.772 54.842 54.000 0.117 0.000 0.902 334 D CB 0.978 41.824 40.800 0.077 0.000 1.038 334 D HN 0.402 nan 8.370 nan 0.000 0.499 335 S N 0.206 115.993 115.700 0.145 0.000 2.541 335 S HA 0.590 5.059 4.470 -0.000 0.000 0.280 335 S C -0.255 174.436 174.600 0.153 0.000 1.112 335 S CA -0.787 57.510 58.200 0.161 0.000 0.925 335 S CB 2.474 65.787 63.200 0.187 0.000 1.067 335 S HN 0.170 nan 8.310 nan 0.000 0.479 336 I N 0.098 120.762 120.570 0.156 0.000 3.042 336 I HA 0.823 4.993 4.170 -0.000 0.000 0.310 336 I C -0.797 175.419 176.117 0.166 0.000 1.117 336 I CA -0.647 60.747 61.300 0.157 0.000 1.003 336 I CB 2.309 40.393 38.000 0.140 0.000 1.228 336 I HN 0.519 nan 8.210 nan 0.000 0.443 337 N N 1.027 119.828 118.700 0.170 0.000 3.227 337 N HA 0.667 5.407 4.740 -0.000 0.000 0.241 337 N C -1.799 173.796 175.510 0.142 0.000 1.480 337 N CA -0.236 52.920 53.050 0.178 0.000 0.886 337 N CB 2.561 41.182 38.487 0.223 0.000 1.406 337 N HN 0.819 nan 8.380 nan 0.000 0.514 338 V N -1.274 118.705 119.914 0.108 0.000 3.078 338 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 338 V C 0.183 176.365 176.094 0.147 0.000 1.138 338 V CA -0.795 61.501 62.300 -0.006 0.000 1.007 338 V CB 1.159 32.869 31.823 -0.190 0.000 1.045 338 V HN 0.761 nan 8.190 nan 0.000 0.432 339 S N 1.802 117.563 115.700 0.102 0.000 2.592 339 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 339 S C 0.196 174.872 174.600 0.127 0.000 1.326 339 S CA -0.559 57.745 58.200 0.174 0.000 1.024 339 S CB 1.166 64.448 63.200 0.136 0.000 0.921 339 S HN 0.816 nan 8.310 nan 0.000 0.527 340 Q N 1.200 121.037 119.800 0.061 0.000 2.201 340 Q HA 0.165 4.505 4.340 -0.000 0.000 0.217 340 Q C -0.297 175.698 176.000 -0.008 0.000 0.860 340 Q CA -0.109 55.638 55.803 -0.094 0.000 0.984 340 Q CB -0.216 28.438 28.738 -0.139 0.000 1.095 340 Q HN 0.862 nan 8.270 nan 0.000 0.477 341 D N -0.821 119.651 120.400 0.120 0.000 2.506 341 D HA 0.014 4.654 4.640 -0.000 0.000 0.272 341 D C 0.985 177.388 176.300 0.171 0.000 1.214 341 D CA -0.597 53.468 54.000 0.108 0.000 1.067 341 D CB 0.822 41.665 40.800 0.071 0.000 1.117 341 D HN -0.110 nan 8.370 nan 0.000 0.578 342 E N -0.509 119.750 120.200 0.099 0.000 2.021 342 E HA -0.171 4.179 4.350 -0.000 0.000 0.200 342 E C 0.060 176.679 176.600 0.032 0.000 1.015 342 E CA 1.253 57.698 56.400 0.075 0.000 0.824 342 E CB 0.160 29.886 29.700 0.042 0.000 0.762 342 E HN 0.220 nan 8.360 nan 0.000 0.454 343 K N 2.062 122.469 120.400 0.011 0.000 2.360 343 K HA 0.271 4.591 4.320 -0.000 0.000 0.235 343 K C -2.400 174.181 176.600 -0.032 0.000 1.077 343 K CA -1.810 54.463 56.287 -0.024 0.000 1.035 343 K CB 1.033 33.522 32.500 -0.019 0.000 1.623 343 K HN 0.235 nan 8.250 nan 0.000 0.462 344 P HA 0.002 nan 4.420 nan 0.000 0.267 344 P C -0.371 176.852 177.300 -0.127 0.000 1.201 344 P CA -0.440 62.626 63.100 -0.057 0.000 0.775 344 P CB 0.689 32.336 31.700 -0.089 0.000 0.854 345 L N 2.046 123.143 121.223 -0.211 0.000 2.334 345 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 345 L C 0.282 176.846 176.870 -0.509 0.000 1.036 345 L CA -0.508 54.113 54.840 -0.364 0.000 0.807 345 L CB 0.946 42.694 42.059 -0.517 0.000 1.231 345 L HN 0.335 nan 8.230 nan 0.000 0.438 346 L N 3.537 124.520 121.223 -0.401 0.000 2.280 346 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 346 L C -1.292 175.423 176.870 -0.258 0.000 1.023 346 L CA -0.613 54.036 54.840 -0.319 0.000 0.819 346 L CB 0.734 42.703 42.059 -0.150 0.000 1.212 346 L HN 0.470 nan 8.230 nan 0.000 0.420 347 Y N 3.540 123.851 120.300 0.019 0.000 2.327 347 Y HA 0.508 5.058 4.550 -0.000 0.000 0.336 347 Y C 0.528 176.472 175.900 0.074 0.000 1.035 347 Y CA -0.622 57.513 58.100 0.059 0.000 1.165 347 Y CB 1.578 40.061 38.460 0.037 0.000 1.181 347 Y HN 0.593 nan 8.280 nan 0.000 0.494 348 A N 4.678 127.664 122.820 0.278 0.000 2.363 348 A HA 0.589 4.909 4.320 -0.000 0.000 0.296 348 A C -1.615 176.113 177.584 0.240 0.000 1.237 348 A CA -0.634 51.534 52.037 0.220 0.000 0.773 348 A CB 0.432 19.531 19.000 0.165 0.000 1.153 348 A HN 0.675 nan 8.150 nan 0.000 0.473 349 L N 2.811 124.132 121.223 0.162 0.000 2.275 349 L HA 0.656 4.996 4.340 -0.000 0.000 0.288 349 L C 0.293 177.223 176.870 0.100 0.000 1.046 349 L CA 0.229 55.124 54.840 0.092 0.000 0.805 349 L CB 1.685 43.770 42.059 0.043 0.000 1.193 349 L HN 0.516 nan 8.230 nan 0.000 0.426 350 S N 2.575 118.328 115.700 0.088 0.000 2.438 350 S HA 0.314 4.784 4.470 -0.000 0.000 0.316 350 S C 0.965 175.567 174.600 0.003 0.000 1.084 350 S CA -0.326 57.931 58.200 0.095 0.000 1.107 350 S CB 0.858 64.184 63.200 0.210 0.000 0.981 350 S HN 0.852 nan 8.310 nan 0.000 0.466 351 T N 4.520 119.066 114.554 -0.013 0.000 2.821 351 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 351 T C 2.012 176.701 174.700 -0.017 0.000 1.046 351 T CA 1.488 63.553 62.100 -0.060 0.000 1.139 351 T CB -0.618 68.195 68.868 -0.092 0.000 0.871 351 T HN 0.766 nan 8.240 nan 0.000 0.454 352 G N 1.626 110.436 108.800 0.015 0.000 2.402 352 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 352 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 352 G C 1.180 176.091 174.900 0.019 0.000 1.162 352 G CA 0.771 45.888 45.100 0.028 0.000 0.777 352 G HN 0.394 nan 8.290 nan 0.000 0.539 353 D N 0.396 120.808 120.400 0.021 0.000 2.347 353 D HA 0.063 4.703 4.640 -0.000 0.000 0.213 353 D C 0.838 177.092 176.300 -0.077 0.000 0.985 353 D CA 0.209 54.209 54.000 0.000 0.000 0.879 353 D CB 0.030 40.866 40.800 0.059 0.000 0.919 353 D HN 0.284 nan 8.370 nan 0.000 0.526 354 K N -0.319 120.023 120.400 -0.097 0.000 3.071 354 K HA -0.132 4.188 4.320 -0.000 0.000 0.265 354 K C -0.630 175.817 176.600 -0.254 0.000 1.060 354 K CA 0.622 56.807 56.287 -0.170 0.000 0.767 354 K CB -1.904 30.500 32.500 -0.160 0.000 1.241 354 K HN 0.077 nan 8.250 nan 0.000 0.486 355 T N 0.452 114.841 114.554 -0.275 0.000 2.893 355 T HA 0.522 4.872 4.350 -0.000 0.000 0.293 355 T C -1.111 173.278 174.700 -0.519 0.000 1.027 355 T CA -0.854 60.967 62.100 -0.465 0.000 0.988 355 T CB 1.751 70.225 68.868 -0.656 0.000 1.043 355 T HN 0.182 nan 8.240 nan 0.000 0.461 356 L N 3.773 124.696 121.223 -0.499 0.000 2.265 356 L HA 0.548 4.888 4.340 -0.000 0.000 0.289 356 L C -1.563 175.081 176.870 -0.377 0.000 1.033 356 L CA -0.471 54.183 54.840 -0.310 0.000 0.814 356 L CB -0.002 41.942 42.059 -0.191 0.000 1.203 356 L HN 0.597 nan 8.230 nan 0.000 0.423 357 Y N 5.510 125.822 120.300 0.020 0.000 2.320 357 Y HA 0.519 5.069 4.550 -0.000 0.000 0.334 357 Y C 0.079 176.080 175.900 0.168 0.000 1.055 357 Y CA -0.439 57.690 58.100 0.048 0.000 1.143 357 Y CB 1.146 39.680 38.460 0.122 0.000 1.193 357 Y HN 0.411 nan 8.280 nan 0.000 0.477 358 I N 4.593 125.269 120.570 0.176 0.000 2.330 358 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 358 I C -0.199 175.905 176.117 -0.022 0.000 1.001 358 I CA -0.380 60.994 61.300 0.124 0.000 1.193 358 I CB 0.556 38.603 38.000 0.078 0.000 1.345 358 I HN 0.628 nan 8.210 nan 0.000 0.461 359 H N 3.817 122.837 119.070 -0.084 0.000 2.651 359 H HA 0.247 4.803 4.556 -0.000 0.000 0.353 359 H C -0.932 174.286 175.328 -0.184 0.000 1.178 359 H CA -0.839 55.132 56.048 -0.128 0.000 1.224 359 H CB 2.521 32.195 29.762 -0.146 0.000 1.702 359 H HN 0.491 nan 8.280 nan 0.000 0.550 360 D N 0.824 121.186 120.400 -0.064 0.000 2.317 360 D HA 0.095 4.735 4.640 -0.000 0.000 0.252 360 D C 0.739 176.968 176.300 -0.119 0.000 1.174 360 D CA -0.096 53.843 54.000 -0.102 0.000 0.866 360 D CB 1.266 42.005 40.800 -0.102 0.000 1.127 360 D HN 0.648 nan 8.370 nan 0.000 0.467 361 A N 4.111 126.885 122.820 -0.077 0.000 2.121 361 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 361 A C 1.826 179.526 177.584 0.192 0.000 1.154 361 A CA 1.128 53.186 52.037 0.036 0.000 0.679 361 A CB -0.056 18.923 19.000 -0.035 0.000 0.795 361 A HN 0.604 nan 8.150 nan 0.000 0.458 362 E N -0.056 120.191 120.200 0.079 0.000 2.057 362 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 362 E C 2.286 178.993 176.600 0.179 0.000 0.969 362 E CA 1.412 57.897 56.400 0.142 0.000 0.812 362 E CB -0.035 29.696 29.700 0.052 0.000 0.777 362 E HN 0.612 nan 8.360 nan 0.000 0.455 363 S N -1.652 114.037 115.700 -0.018 0.000 2.503 363 S HA 0.223 4.693 4.470 -0.000 0.000 0.217 363 S C 1.704 176.030 174.600 -0.458 0.000 0.999 363 S CA 0.535 58.695 58.200 -0.066 0.000 0.914 363 S CB 0.505 63.671 63.200 -0.058 0.000 0.782 363 S HN 0.428 nan 8.310 nan 0.000 0.520 364 G N 1.291 109.517 108.800 -0.957 0.000 2.184 364 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 364 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 364 G C -0.142 174.505 174.900 -0.422 0.000 0.975 364 G CA 0.366 44.559 45.100 -1.511 0.000 0.642 364 G HN 0.750 nan 8.290 nan 0.000 0.536 365 E N 0.945 120.999 120.200 -0.242 0.000 2.384 365 E HA 0.291 4.641 4.350 -0.000 0.000 0.266 365 E C 0.299 176.804 176.600 -0.159 0.000 1.012 365 E CA -0.316 56.012 56.400 -0.120 0.000 0.901 365 E CB 0.286 29.921 29.700 -0.108 0.000 0.967 365 E HN 0.433 nan 8.360 nan 0.000 0.435 366 E N 4.188 124.218 120.200 -0.283 0.000 2.257 366 E HA -0.015 4.335 4.350 -0.000 0.000 0.278 366 E C 0.260 176.687 176.600 -0.288 0.000 1.049 366 E CA -0.461 55.568 56.400 -0.619 0.000 0.876 366 E CB 0.616 30.022 29.700 -0.490 0.000 1.035 366 E HN 0.491 nan 8.360 nan 0.000 0.419 367 L N 4.983 126.058 121.223 -0.247 0.000 2.200 367 L HA 0.159 4.499 4.340 -0.000 0.000 0.200 367 L C 0.958 177.773 176.870 -0.092 0.000 1.072 367 L CA 1.245 56.007 54.840 -0.130 0.000 0.787 367 L CB -0.575 41.424 42.059 -0.100 0.000 0.957 367 L HN 0.639 nan 8.230 nan 0.000 0.459 368 R N -1.838 118.610 120.500 -0.086 0.000 2.741 368 R HA 0.629 4.969 4.340 -0.000 0.000 0.274 368 R C -1.213 175.061 176.300 -0.044 0.000 1.029 368 R CA -0.453 55.616 56.100 -0.052 0.000 0.880 368 R CB 1.409 31.683 30.300 -0.044 0.000 1.264 368 R HN -0.054 nan 8.270 nan 0.000 0.465 369 S N -0.312 115.345 115.700 -0.071 0.000 2.579 369 S HA 0.693 5.163 4.470 -0.000 0.000 0.272 369 S C -1.113 173.371 174.600 -0.193 0.000 1.141 369 S CA -0.765 57.335 58.200 -0.166 0.000 0.843 369 S CB 2.236 65.304 63.200 -0.221 0.000 1.122 369 S HN 0.415 nan 8.310 nan 0.000 0.468 370 V N 3.321 123.071 119.914 -0.273 0.000 2.482 370 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 370 V C -0.510 175.390 176.094 -0.323 0.000 1.026 370 V CA -0.733 61.420 62.300 -0.245 0.000 0.856 370 V CB 1.018 32.714 31.823 -0.212 0.000 1.001 370 V HN 1.048 nan 8.190 nan 0.000 0.424 371 N N 2.984 121.518 118.700 -0.277 0.000 2.681 371 N HA 0.325 5.065 4.740 -0.000 0.000 0.311 371 N C 0.008 175.347 175.510 -0.285 0.000 1.303 371 N CA -0.863 52.016 53.050 -0.285 0.000 0.926 371 N CB 0.119 38.478 38.487 -0.213 0.000 1.136 371 N HN 0.561 nan 8.380 nan 0.000 0.592 372 Q N -1.167 118.483 119.800 -0.249 0.000 2.451 372 Q HA -0.148 4.192 4.340 -0.000 0.000 0.305 372 Q C -0.834 174.931 176.000 -0.392 0.000 1.345 372 Q CA 0.337 55.996 55.803 -0.240 0.000 0.854 372 Q CB -1.939 26.704 28.738 -0.158 0.000 1.162 372 Q HN 0.464 nan 8.270 nan 0.000 0.440 373 L N 0.677 121.583 121.223 -0.529 0.000 2.598 373 L HA 0.403 4.743 4.340 -0.000 0.000 0.241 373 L C 1.259 177.772 176.870 -0.595 0.000 1.244 373 L CA 0.325 54.571 54.840 -0.989 0.000 1.198 373 L CB -0.313 41.212 42.059 -0.891 0.000 1.448 373 L HN 0.605 nan 8.230 nan 0.000 0.406 374 G N 0.225 108.860 108.800 -0.276 0.000 2.584 374 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.229 374 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.229 374 G C 0.404 175.064 174.900 -0.399 0.000 1.320 374 G CA -0.132 44.860 45.100 -0.180 0.000 0.891 374 G HN 0.496 nan 8.290 nan 0.000 0.573 375 H N 0.513 119.580 119.070 -0.005 0.000 2.476 375 H HA 0.330 4.886 4.556 -0.000 0.000 0.292 375 H C 1.820 177.088 175.328 -0.099 0.000 1.019 375 H CA 1.356 57.394 56.048 -0.016 0.000 1.330 375 H CB 0.822 30.600 29.762 0.027 0.000 1.451 375 H HN 1.230 nan 8.280 nan 0.000 0.535 376 G N 2.728 111.410 108.800 -0.197 0.000 4.379 376 G HA2 0.153 4.113 3.960 -0.000 0.000 0.243 376 G HA3 0.153 4.113 3.960 -0.000 0.000 0.243 376 G C -3.005 171.672 174.900 -0.372 0.000 1.009 376 G CA -0.779 44.034 45.100 -0.478 0.000 0.646 376 G HN -0.073 nan 8.290 nan 0.000 0.475 377 P HA 0.078 nan 4.420 nan 0.000 0.264 377 P C -0.175 177.011 177.300 -0.191 0.000 1.193 377 P CA 0.484 63.483 63.100 -0.169 0.000 0.763 377 P CB 1.930 33.535 31.700 -0.158 0.000 0.810 378 Q N 0.933 120.630 119.800 -0.171 0.000 2.215 378 Q HA 0.177 4.517 4.340 -0.000 0.000 0.257 378 Q C -0.188 175.851 176.000 0.064 0.000 0.792 378 Q CA 0.122 55.809 55.803 -0.192 0.000 0.958 378 Q CB 1.079 29.469 28.738 -0.581 0.000 1.158 378 Q HN 0.266 nan 8.270 nan 0.000 0.490 379 V N 1.961 121.933 119.914 0.096 0.000 2.495 379 V HA 0.466 4.586 4.120 -0.000 0.000 0.298 379 V C -0.549 175.613 176.094 0.112 0.000 1.031 379 V CA -0.597 61.811 62.300 0.179 0.000 0.871 379 V CB 1.962 33.911 31.823 0.210 0.000 0.988 379 V HN 0.132 nan 8.190 nan 0.000 0.432 380 I N 3.485 124.125 120.570 0.117 0.000 2.404 380 I HA 0.574 4.744 4.170 -0.000 0.000 0.293 380 I C -0.124 176.040 176.117 0.079 0.000 0.992 380 I CA -0.120 61.221 61.300 0.068 0.000 1.149 380 I CB 2.093 40.133 38.000 0.066 0.000 1.315 380 I HN 0.546 nan 8.210 nan 0.000 0.446 381 T N 3.275 117.872 114.554 0.071 0.000 2.861 381 T HA 0.600 4.950 4.350 -0.000 0.000 0.287 381 T C -0.231 174.541 174.700 0.120 0.000 1.003 381 T CA -0.710 61.431 62.100 0.068 0.000 0.977 381 T CB 1.864 70.727 68.868 -0.008 0.000 0.996 381 T HN 0.733 nan 8.240 nan 0.000 0.448 382 T N -0.620 113.998 114.554 0.108 0.000 2.906 382 T HA 0.852 5.202 4.350 -0.000 0.000 0.295 382 T C -0.557 174.204 174.700 0.101 0.000 1.075 382 T CA -1.029 61.153 62.100 0.137 0.000 1.005 382 T CB 1.815 70.778 68.868 0.158 0.000 1.136 382 T HN 0.743 nan 8.240 nan 0.000 0.498 383 A N 1.036 123.918 122.820 0.103 0.000 2.312 383 A HA 0.630 4.950 4.320 -0.000 0.000 0.328 383 A C -0.269 177.342 177.584 0.045 0.000 1.158 383 A CA -0.641 51.428 52.037 0.053 0.000 0.821 383 A CB 0.748 19.774 19.000 0.044 0.000 1.170 383 A HN 0.864 nan 8.150 nan 0.000 0.490 384 D N 2.890 123.303 120.400 0.022 0.000 2.499 384 D HA 0.339 4.979 4.640 -0.000 0.000 0.225 384 D C 0.619 176.920 176.300 0.001 0.000 1.124 384 D CA -0.125 53.876 54.000 0.002 0.000 0.938 384 D CB 0.291 41.084 40.800 -0.012 0.000 1.014 384 D HN 0.483 nan 8.370 nan 0.000 0.517 385 M N 0.909 120.514 119.600 0.009 0.000 2.595 385 M HA 0.170 4.649 4.480 -0.000 0.000 0.248 385 M C 1.375 177.680 176.300 0.008 0.000 1.119 385 M CA -0.012 55.294 55.300 0.011 0.000 1.079 385 M CB 0.455 33.067 32.600 0.020 0.000 1.472 385 M HN 0.204 nan 8.290 nan 0.000 0.501 386 G N 0.000 108.800 108.800 -0.000 0.000 5.446 386 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 386 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 386 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925