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 3mkv_1_A DATA FIRST_RESID 1 DATA SEQUENCE LTTFLFRNGA LLDPDHPDLL QGFEILIEDG FIREVSDKPI KSSNAHVIDV DATA SEQUENCE KGKTIMPGLI DLHVHVVAIE FNLPRVATLP NVLVTLRAVP IMRAMLRRGF DATA SEQUENCE TTVRDAGGAG YPFKQAVESG LVEGPRLFVS GRALSQTGGH ADPRARSDYM DATA SEQUENCE PPDSPCGCCV RVGALGRVAD GVDEVRRAVR EELQMGADQI XIMASGGVAS DATA SEQUENCE PTDPVGVFGY SEDEIRAIVA EAQGRGTYVL AHAYTPAAIA RAVRCGVRTI DATA SEQUENCE EHGNLIDDET ARLVAEHGAY VVPTLVTYDA LASEGEKYGL PPESIAKIAD DATA SEQUENCE VHGAGLHSIE IMKRAGVKMG FGTDLLGEAQ RLQSDEFRIL AEVLSPAEVI DATA SEQUENCE ASATIVSAEV LGMQDKLGRI VPGAHADVLV VDGNPLKSVD CLLGQGEHIP DATA SEQUENCE LVMKDGRLFV NELE 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.875 176.870 0.008 0.000 1.165 1 L CA 0.000 54.855 54.840 0.025 0.000 0.813 1 L CB 0.000 42.067 42.059 0.013 0.000 0.961 2 T N 1.138 115.711 114.554 0.031 0.000 2.929 2 T HA 0.509 4.859 4.350 -0.000 0.000 0.331 2 T C -0.039 174.674 174.700 0.022 0.000 1.120 2 T CA 0.149 62.252 62.100 0.004 0.000 0.973 2 T CB 0.389 69.296 68.868 0.065 0.000 1.036 2 T HN 0.398 nan 8.240 nan 0.000 0.502 3 T N 4.907 119.377 114.554 -0.141 0.000 2.925 3 T HA 0.734 5.083 4.350 -0.000 0.000 0.285 3 T C -1.035 173.457 174.700 -0.347 0.000 1.021 3 T CA -0.321 61.738 62.100 -0.068 0.000 1.042 3 T CB 0.769 69.618 68.868 -0.031 0.000 1.037 3 T HN 0.452 nan 8.240 nan 0.000 0.481 4 F N 1.155 121.125 119.950 0.033 0.000 2.591 4 F HA 0.606 5.133 4.527 -0.001 0.000 0.309 4 F C -0.646 175.164 175.800 0.017 0.000 1.098 4 F CA -1.037 56.957 58.000 -0.010 0.000 0.937 4 F CB 1.792 40.737 39.000 -0.091 0.000 1.250 4 F HN 0.272 nan 8.300 nan 0.000 0.447 5 L N 3.914 125.206 121.223 0.115 0.000 2.415 5 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 5 L C -1.496 175.396 176.870 0.038 0.000 0.984 5 L CA -0.435 54.474 54.840 0.116 0.000 0.853 5 L CB 0.569 42.675 42.059 0.078 0.000 1.215 5 L HN 0.476 nan 8.230 nan 0.000 0.419 6 F N 4.682 124.713 119.950 0.135 0.000 2.467 6 F HA 0.467 4.993 4.527 -0.002 0.000 0.362 6 F C 0.683 176.536 175.800 0.089 0.000 1.090 6 F CA 0.040 58.104 58.000 0.107 0.000 1.202 6 F CB 0.724 39.775 39.000 0.085 0.000 1.113 6 F HN 0.491 nan 8.300 nan 0.000 0.541 7 R N 1.488 122.115 120.500 0.211 0.000 2.774 7 R HA 0.527 4.867 4.340 -0.000 0.000 0.272 7 R C -0.694 175.676 176.300 0.118 0.000 1.000 7 R CA -1.042 55.145 56.100 0.145 0.000 0.906 7 R CB 1.032 31.384 30.300 0.087 0.000 1.227 7 R HN 0.491 nan 8.270 nan 0.000 0.468 8 N N -0.873 117.883 118.700 0.093 0.000 2.783 8 N HA -0.118 4.621 4.740 -0.000 0.000 0.247 8 N C -1.307 174.250 175.510 0.080 0.000 1.089 8 N CA 1.449 54.541 53.050 0.071 0.000 0.690 8 N CB -0.900 37.618 38.487 0.052 0.000 0.991 8 N HN 0.995 nan 8.380 nan 0.000 0.552 9 G N -1.726 107.132 108.800 0.096 0.000 2.708 9 G HA2 0.830 4.790 3.960 -0.000 0.000 0.289 9 G HA3 0.830 4.790 3.960 -0.000 0.000 0.289 9 G C -1.005 173.946 174.900 0.085 0.000 1.416 9 G CA -0.119 45.032 45.100 0.086 0.000 0.829 9 G HN 0.529 nan 8.290 nan 0.000 0.480 10 A N -0.687 122.169 122.820 0.060 0.000 2.340 10 A HA 0.685 5.004 4.320 -0.000 0.000 0.268 10 A C -0.738 176.869 177.584 0.037 0.000 1.100 10 A CA -0.296 51.775 52.037 0.057 0.000 0.803 10 A CB 1.187 20.205 19.000 0.030 0.000 1.043 10 A HN 1.236 nan 8.150 nan 0.000 0.488 11 L N 2.142 123.387 121.223 0.036 0.000 2.333 11 L HA 0.562 4.901 4.340 -0.000 0.000 0.280 11 L C -0.785 176.050 176.870 -0.058 0.000 1.004 11 L CA -0.422 54.395 54.840 -0.038 0.000 0.820 11 L CB 1.372 43.372 42.059 -0.098 0.000 1.247 11 L HN 0.663 nan 8.230 nan 0.000 0.416 12 L N 5.048 126.222 121.223 -0.081 0.000 2.255 12 L HA 0.414 4.754 4.340 -0.000 0.000 0.289 12 L C -0.876 175.940 176.870 -0.090 0.000 1.046 12 L CA -0.164 54.632 54.840 -0.074 0.000 0.816 12 L CB 0.552 42.557 42.059 -0.089 0.000 1.197 12 L HN 0.639 nan 8.230 nan 0.000 0.427 13 D N 6.961 127.325 120.400 -0.059 0.000 2.441 13 D HA 0.284 4.923 4.640 -0.000 0.000 0.231 13 D C -1.933 174.305 176.300 -0.103 0.000 1.073 13 D CA -1.986 51.969 54.000 -0.075 0.000 0.850 13 D CB 2.121 42.928 40.800 0.012 0.000 1.062 13 D HN 0.275 nan 8.370 nan 0.000 0.524 14 P HA -0.076 nan 4.420 nan 0.000 0.226 14 P C 0.008 177.230 177.300 -0.130 0.000 1.146 14 P CA 0.840 63.878 63.100 -0.102 0.000 0.773 14 P CB 0.232 31.879 31.700 -0.088 0.000 0.772 15 D N -2.776 117.477 120.400 -0.247 0.000 2.427 15 D HA 0.053 4.692 4.640 -0.000 0.000 0.224 15 D C -0.096 175.937 176.300 -0.445 0.000 1.157 15 D CA -0.089 53.725 54.000 -0.309 0.000 0.828 15 D CB -0.942 39.670 40.800 -0.313 0.000 0.974 15 D HN 0.292 nan 8.370 nan 0.000 0.498 16 H N 0.048 119.101 119.070 -0.028 0.000 2.667 16 H HA 0.251 4.807 4.556 0.000 0.000 0.353 16 H C -1.618 173.699 175.328 -0.017 0.000 1.072 16 H CA -1.708 54.328 56.048 -0.020 0.000 1.214 16 H CB 2.604 32.352 29.762 -0.024 0.000 1.600 16 H HN -0.238 nan 8.280 nan 0.000 0.527 17 P HA -0.097 nan 4.420 nan 0.000 0.223 17 P C -0.396 176.930 177.300 0.044 0.000 1.151 17 P CA 1.083 64.218 63.100 0.058 0.000 0.787 17 P CB 0.719 32.449 31.700 0.050 0.000 0.788 18 D N -0.672 119.760 120.400 0.054 0.000 2.547 18 D HA 0.305 4.945 4.640 -0.000 0.000 0.231 18 D C 0.198 176.519 176.300 0.035 0.000 1.099 18 D CA -0.798 53.221 54.000 0.032 0.000 0.901 18 D CB 1.778 42.592 40.800 0.023 0.000 1.478 18 D HN -0.101 nan 8.370 nan 0.000 0.471 19 L N 0.961 122.197 121.223 0.022 0.000 2.490 19 L HA 0.109 4.449 4.340 -0.000 0.000 0.274 19 L C 0.248 177.145 176.870 0.046 0.000 1.201 19 L CA -0.112 54.742 54.840 0.023 0.000 0.869 19 L CB 0.082 42.149 42.059 0.014 0.000 1.123 19 L HN 0.115 nan 8.230 nan 0.000 0.484 20 L N 3.772 125.032 121.223 0.062 0.000 2.305 20 L HA 0.295 4.635 4.340 -0.000 0.000 0.281 20 L C -0.025 176.973 176.870 0.213 0.000 1.085 20 L CA -0.266 54.663 54.840 0.148 0.000 0.813 20 L CB 1.014 43.159 42.059 0.143 0.000 1.157 20 L HN 0.573 nan 8.230 nan 0.000 0.436 21 Q N 0.901 120.814 119.800 0.189 0.000 2.257 21 Q HA 0.570 4.909 4.340 -0.000 0.000 0.262 21 Q C 0.556 176.609 176.000 0.089 0.000 0.997 21 Q CA 0.485 56.366 55.803 0.130 0.000 0.873 21 Q CB 1.913 30.684 28.738 0.056 0.000 1.312 21 Q HN 0.746 nan 8.270 nan 0.000 0.450 22 G N 1.218 110.047 108.800 0.048 0.000 2.137 22 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.237 22 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.237 22 G C -0.538 174.250 174.900 -0.187 0.000 1.002 22 G CA -0.162 44.892 45.100 -0.076 0.000 0.702 22 G HN 0.384 nan 8.290 nan 0.000 0.515 23 F N 0.506 120.469 119.950 0.022 0.000 2.403 23 F HA 0.672 5.198 4.527 -0.000 0.000 0.326 23 F C 0.837 176.667 175.800 0.049 0.000 1.081 23 F CA -0.543 57.475 58.000 0.030 0.000 1.041 23 F CB 1.239 40.254 39.000 0.024 0.000 1.234 23 F HN 0.061 nan 8.300 nan 0.000 0.503 24 E N 2.113 122.471 120.200 0.264 0.000 2.288 24 E HA 0.587 4.937 4.350 -0.000 0.000 0.268 24 E C -1.316 175.417 176.600 0.221 0.000 0.885 24 E CA -0.766 55.760 56.400 0.209 0.000 0.767 24 E CB 2.897 32.681 29.700 0.139 0.000 1.220 24 E HN 0.376 nan 8.360 nan 0.000 0.427 25 I N 2.426 123.138 120.570 0.236 0.000 2.436 25 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 25 I C -0.999 175.277 176.117 0.265 0.000 1.010 25 I CA -0.982 60.448 61.300 0.218 0.000 1.098 25 I CB 1.421 39.513 38.000 0.152 0.000 1.266 25 I HN 0.224 nan 8.210 nan 0.000 0.434 26 L N 7.867 129.211 121.223 0.202 0.000 2.276 26 L HA 0.567 4.907 4.340 -0.000 0.000 0.286 26 L C -0.972 176.024 176.870 0.210 0.000 1.024 26 L CA -0.106 54.850 54.840 0.194 0.000 0.826 26 L CB 0.629 42.770 42.059 0.136 0.000 1.211 26 L HN 0.369 nan 8.230 nan 0.000 0.422 27 I N 5.212 125.946 120.570 0.273 0.000 2.377 27 I HA 0.500 4.670 4.170 -0.000 0.000 0.293 27 I C -0.299 175.979 176.117 0.268 0.000 0.987 27 I CA -0.167 61.298 61.300 0.274 0.000 1.185 27 I CB 1.610 39.811 38.000 0.335 0.000 1.341 27 I HN 0.703 nan 8.210 nan 0.000 0.455 28 E N 4.354 124.690 120.200 0.226 0.000 2.321 28 E HA 0.390 4.739 4.350 -0.000 0.000 0.281 28 E C -1.425 175.299 176.600 0.206 0.000 0.910 28 E CA -0.725 55.797 56.400 0.203 0.000 0.770 28 E CB 1.393 31.178 29.700 0.141 0.000 1.225 28 E HN 0.414 nan 8.360 nan 0.000 0.417 29 D N 2.232 122.744 120.400 0.187 0.000 2.699 29 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 29 D C 0.941 177.367 176.300 0.210 0.000 1.136 29 D CA 2.321 56.432 54.000 0.184 0.000 0.668 29 D CB -1.351 39.559 40.800 0.183 0.000 1.060 29 D HN 1.172 nan 8.370 nan 0.000 0.429 30 G N -1.721 107.129 108.800 0.082 0.000 2.225 30 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.254 30 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.254 30 G C 0.228 174.892 174.900 -0.392 0.000 0.988 30 G CA 0.301 45.306 45.100 -0.159 0.000 0.625 30 G HN 0.436 nan 8.290 nan 0.000 0.527 31 F N 0.668 120.654 119.950 0.060 0.000 2.561 31 F HA 0.703 5.229 4.527 -0.001 0.000 0.321 31 F C 0.505 176.332 175.800 0.045 0.000 1.065 31 F CA -1.537 56.476 58.000 0.022 0.000 0.934 31 F CB 1.172 40.156 39.000 -0.027 0.000 1.215 31 F HN -0.151 nan 8.300 nan 0.000 0.471 32 I N 2.423 123.123 120.570 0.217 0.000 2.598 32 I HA 0.091 4.260 4.170 -0.000 0.000 0.284 32 I C 1.009 177.213 176.117 0.144 0.000 1.140 32 I CA 0.313 61.702 61.300 0.149 0.000 1.420 32 I CB 0.764 38.817 38.000 0.089 0.000 1.387 32 I HN 0.697 nan 8.210 nan 0.000 0.553 33 R N 4.711 125.289 120.500 0.131 0.000 2.140 33 R HA 0.234 4.574 4.340 -0.000 0.000 0.200 33 R C -0.082 176.266 176.300 0.081 0.000 1.069 33 R CA 0.888 57.048 56.100 0.101 0.000 1.088 33 R CB 0.592 30.956 30.300 0.107 0.000 1.012 33 R HN 0.701 nan 8.270 nan 0.000 0.500 34 E N -0.958 119.300 120.200 0.095 0.000 2.356 34 E HA 0.430 4.780 4.350 -0.000 0.000 0.275 34 E C -1.672 174.992 176.600 0.108 0.000 0.904 34 E CA -0.909 55.545 56.400 0.091 0.000 0.757 34 E CB 3.165 32.919 29.700 0.089 0.000 1.232 34 E HN -0.167 nan 8.360 nan 0.000 0.442 35 V N 2.168 122.150 119.914 0.113 0.000 2.538 35 V HA 0.293 4.413 4.120 -0.000 0.000 0.265 35 V C -0.693 175.558 176.094 0.263 0.000 0.977 35 V CA -0.526 61.860 62.300 0.143 0.000 0.852 35 V CB 0.826 32.672 31.823 0.040 0.000 1.058 35 V HN 0.728 nan 8.190 nan 0.000 0.462 36 S N 0.931 116.819 115.700 0.315 0.000 2.671 36 S HA 0.660 5.130 4.470 -0.000 0.000 0.299 36 S C 0.298 174.981 174.600 0.139 0.000 1.116 36 S CA -0.212 58.163 58.200 0.293 0.000 0.912 36 S CB 2.437 65.710 63.200 0.123 0.000 1.130 36 S HN 0.500 nan 8.310 nan 0.000 0.501 37 D N -0.114 120.130 120.400 -0.259 0.000 2.277 37 D HA 0.112 4.751 4.640 -0.000 0.000 0.209 37 D C 0.026 176.200 176.300 -0.210 0.000 0.970 37 D CA 0.363 54.052 54.000 -0.519 0.000 0.874 37 D CB -0.186 40.128 40.800 -0.811 0.000 0.982 37 D HN 0.258 nan 8.370 nan 0.000 0.504 38 K N 2.411 122.741 120.400 -0.117 0.000 2.245 38 K HA 0.152 4.472 4.320 -0.000 0.000 0.281 38 K C -2.263 174.324 176.600 -0.022 0.000 1.079 38 K CA -1.529 54.724 56.287 -0.057 0.000 1.000 38 K CB -0.112 32.370 32.500 -0.030 0.000 1.038 38 K HN 0.115 nan 8.250 nan 0.000 0.430 39 P HA -0.169 nan 4.420 nan 0.000 0.265 39 P C 0.047 177.357 177.300 0.017 0.000 1.151 39 P CA 0.775 63.877 63.100 0.004 0.000 0.755 39 P CB 0.204 31.902 31.700 -0.004 0.000 0.756 40 I N 0.042 120.632 120.570 0.034 0.000 2.607 40 I HA 0.447 4.617 4.170 -0.000 0.000 0.305 40 I C 0.558 176.693 176.117 0.030 0.000 0.995 40 I CA -1.388 59.935 61.300 0.039 0.000 1.148 40 I CB 1.713 39.750 38.000 0.060 0.000 1.323 40 I HN 0.206 nan 8.210 nan 0.000 0.461 41 K N 3.197 123.612 120.400 0.025 0.000 2.312 41 K HA 0.403 4.723 4.320 -0.000 0.000 0.287 41 K C -0.650 175.962 176.600 0.019 0.000 1.062 41 K CA -0.157 56.140 56.287 0.017 0.000 0.934 41 K CB 0.947 33.455 32.500 0.013 0.000 1.027 41 K HN 0.834 nan 8.250 nan 0.000 0.478 42 S N 1.272 116.979 115.700 0.012 0.000 2.776 42 S HA 0.140 4.610 4.470 -0.000 0.000 0.284 42 S C 0.384 174.979 174.600 -0.008 0.000 1.160 42 S CA -0.665 57.540 58.200 0.008 0.000 1.051 42 S CB 1.460 64.669 63.200 0.015 0.000 1.037 42 S HN 0.678 nan 8.310 nan 0.000 0.485 43 S N 2.960 118.654 115.700 -0.009 0.000 2.421 43 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 43 S C 1.287 175.869 174.600 -0.029 0.000 1.035 43 S CA 0.687 58.876 58.200 -0.018 0.000 0.953 43 S CB -0.564 62.629 63.200 -0.012 0.000 0.810 43 S HN 0.639 nan 8.310 nan 0.000 0.497 44 N N 1.747 120.429 118.700 -0.030 0.000 2.282 44 N HA 0.389 5.128 4.740 -0.000 0.000 0.185 44 N C 0.304 175.772 175.510 -0.070 0.000 1.099 44 N CA 0.337 53.360 53.050 -0.045 0.000 0.878 44 N CB 0.078 38.543 38.487 -0.037 0.000 0.993 44 N HN 0.514 nan 8.380 nan 0.000 0.481 45 A N 0.465 123.251 122.820 -0.057 0.000 2.587 45 A HA -0.055 4.265 4.320 -0.000 0.000 0.235 45 A C -0.196 177.323 177.584 -0.107 0.000 1.044 45 A CA 0.222 52.215 52.037 -0.072 0.000 0.754 45 A CB -0.536 18.450 19.000 -0.023 0.000 0.968 45 A HN 0.606 nan 8.150 nan 0.000 0.509 46 H N 2.246 121.124 119.070 -0.321 0.000 2.705 46 H HA 0.458 5.014 4.556 -0.000 0.000 0.291 46 H C -0.497 174.706 175.328 -0.210 0.000 1.085 46 H CA -0.554 55.296 56.048 -0.329 0.000 1.357 46 H CB 0.548 29.952 29.762 -0.596 0.000 1.419 46 H HN 0.385 nan 8.280 nan 0.000 0.462 47 V N 7.571 127.353 119.914 -0.220 0.000 2.583 47 V HA 0.097 4.217 4.120 -0.000 0.000 0.287 47 V C 0.405 176.455 176.094 -0.074 0.000 1.051 47 V CA -0.210 62.026 62.300 -0.106 0.000 1.010 47 V CB 0.865 32.622 31.823 -0.110 0.000 0.988 47 V HN 0.735 nan 8.190 nan 0.000 0.478 48 I N 4.176 124.705 120.570 -0.069 0.000 2.382 48 I HA 0.325 4.494 4.170 -0.000 0.000 0.285 48 I C -0.281 175.825 176.117 -0.018 0.000 1.007 48 I CA -0.315 60.935 61.300 -0.083 0.000 1.142 48 I CB 1.454 39.250 38.000 -0.340 0.000 1.289 48 I HN 0.512 nan 8.210 nan 0.000 0.453 49 D N 5.943 126.350 120.400 0.011 0.000 2.313 49 D HA 0.183 4.823 4.640 -0.000 0.000 0.239 49 D C 0.604 176.941 176.300 0.063 0.000 1.142 49 D CA -0.149 53.873 54.000 0.036 0.000 0.847 49 D CB 2.187 42.996 40.800 0.016 0.000 1.082 49 D HN 0.233 nan 8.370 nan 0.000 0.480 50 V N 4.364 124.332 119.914 0.090 0.000 3.649 50 V HA -0.020 4.100 4.120 -0.000 0.000 0.275 50 V C 1.048 177.183 176.094 0.068 0.000 1.281 50 V CA -0.123 62.238 62.300 0.101 0.000 1.143 50 V CB -0.666 31.240 31.823 0.139 0.000 0.892 50 V HN 0.637 nan 8.190 nan 0.000 0.441 51 K N 0.854 121.285 120.400 0.052 0.000 3.177 51 K HA -0.250 4.070 4.320 -0.000 0.000 0.266 51 K C 1.153 177.775 176.600 0.036 0.000 0.937 51 K CA 0.855 57.165 56.287 0.038 0.000 0.702 51 K CB -1.887 30.634 32.500 0.034 0.000 1.365 51 K HN 1.055 nan 8.250 nan 0.000 0.466 52 G N -0.222 108.603 108.800 0.041 0.000 2.198 52 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.260 52 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.260 52 G C 0.230 175.149 174.900 0.031 0.000 1.025 52 G CA 1.112 46.233 45.100 0.035 0.000 0.769 52 G HN 0.453 nan 8.290 nan 0.000 0.507 53 K N -0.512 119.912 120.400 0.040 0.000 2.209 53 K HA 0.620 4.940 4.320 -0.000 0.000 0.238 53 K C 0.465 177.080 176.600 0.025 0.000 1.028 53 K CA -0.253 56.052 56.287 0.030 0.000 0.935 53 K CB 0.619 33.142 32.500 0.039 0.000 1.162 53 K HN 0.075 nan 8.250 nan 0.000 0.485 54 T N 1.468 116.025 114.554 0.004 0.000 2.767 54 T HA 0.383 4.733 4.350 -0.000 0.000 0.288 54 T C -0.029 174.651 174.700 -0.034 0.000 0.963 54 T CA -0.445 61.645 62.100 -0.017 0.000 1.019 54 T CB 0.170 69.013 68.868 -0.041 0.000 0.923 54 T HN 0.267 nan 8.240 nan 0.000 0.468 55 I N 5.284 125.824 120.570 -0.051 0.000 2.312 55 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 55 I C 0.242 176.271 176.117 -0.146 0.000 1.008 55 I CA -0.599 60.630 61.300 -0.118 0.000 1.226 55 I CB 0.729 38.639 38.000 -0.150 0.000 1.371 55 I HN 0.573 nan 8.210 nan 0.000 0.468 56 M N 6.770 126.270 119.600 -0.166 0.000 2.658 56 M HA 0.754 5.234 4.480 -0.000 0.000 0.295 56 M C -2.931 173.262 176.300 -0.178 0.000 1.248 56 M CA -2.091 53.111 55.300 -0.163 0.000 0.843 56 M CB 2.074 34.580 32.600 -0.157 0.000 1.749 56 M HN -0.017 nan 8.290 nan 0.000 0.464 57 P HA 0.218 nan 4.420 nan 0.000 0.272 57 P C 0.036 177.247 177.300 -0.148 0.000 1.230 57 P CA 0.027 63.043 63.100 -0.141 0.000 0.788 57 P CB 0.227 31.859 31.700 -0.113 0.000 0.949 58 G N 1.809 110.535 108.800 -0.123 0.000 2.321 58 G HA2 0.182 4.142 3.960 -0.000 0.000 0.237 58 G HA3 0.182 4.142 3.960 -0.000 0.000 0.237 58 G C -0.231 174.583 174.900 -0.143 0.000 1.282 58 G CA -0.359 44.666 45.100 -0.124 0.000 0.886 58 G HN 0.381 nan 8.290 nan 0.000 0.528 59 L N 1.293 122.382 121.223 -0.223 0.000 2.418 59 L HA 0.447 4.787 4.340 -0.000 0.000 0.265 59 L C 0.420 177.265 176.870 -0.041 0.000 1.143 59 L CA -0.343 54.339 54.840 -0.263 0.000 0.809 59 L CB 1.009 42.663 42.059 -0.676 0.000 1.124 59 L HN 0.318 nan 8.230 nan 0.000 0.456 60 I N 1.284 121.882 120.570 0.046 0.000 2.436 60 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 60 I C -0.937 175.335 176.117 0.259 0.000 1.010 60 I CA -0.486 60.899 61.300 0.142 0.000 1.098 60 I CB 1.994 40.008 38.000 0.024 0.000 1.266 60 I HN 0.503 nan 8.210 nan 0.000 0.434 61 D N 6.674 127.232 120.400 0.263 0.000 2.344 61 D HA 0.325 4.965 4.640 -0.000 0.000 0.239 61 D C 0.304 176.644 176.300 0.067 0.000 1.064 61 D CA -0.300 53.825 54.000 0.208 0.000 0.829 61 D CB 1.954 42.693 40.800 -0.102 0.000 1.129 61 D HN 0.475 nan 8.370 nan 0.000 0.506 62 L N 2.825 124.096 121.223 0.079 0.000 2.591 62 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 62 L C 0.288 177.140 176.870 -0.029 0.000 1.133 62 L CA 0.236 55.076 54.840 0.000 0.000 0.880 62 L CB -0.044 42.015 42.059 0.000 0.000 1.033 62 L HN 0.452 nan 8.230 nan 0.000 0.450 63 H N -0.204 118.775 119.070 -0.152 0.000 2.895 63 H HA 0.396 4.951 4.556 -0.001 0.000 0.282 63 H C -1.019 174.134 175.328 -0.292 0.000 1.338 63 H CA -0.593 55.318 56.048 -0.227 0.000 1.595 63 H CB 0.797 30.428 29.762 -0.218 0.000 1.771 63 H HN -0.096 nan 8.280 nan 0.000 0.573 64 V N 0.523 120.263 119.914 -0.290 0.000 3.046 64 V HA 0.586 4.706 4.120 -0.000 0.000 0.316 64 V C -0.676 175.094 176.094 -0.539 0.000 1.104 64 V CA -0.799 61.327 62.300 -0.291 0.000 1.006 64 V CB 2.440 34.127 31.823 -0.226 0.000 1.058 64 V HN 0.647 nan 8.190 nan 0.000 0.440 65 H N 1.589 120.602 119.070 -0.096 0.000 2.887 65 H HA 0.449 5.005 4.556 -0.000 0.000 0.300 65 H C 0.503 175.726 175.328 -0.174 0.000 1.038 65 H CA -0.322 55.652 56.048 -0.124 0.000 1.352 65 H CB 1.972 31.685 29.762 -0.081 0.000 1.473 65 H HN 0.521 nan 8.280 nan 0.000 0.503 66 V N 3.332 123.154 119.914 -0.153 0.000 2.515 66 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 66 V C 2.126 178.076 176.094 -0.240 0.000 1.058 66 V CA 1.877 64.029 62.300 -0.247 0.000 1.064 66 V CB -0.063 31.520 31.823 -0.399 0.000 0.675 66 V HN 0.638 nan 8.190 nan 0.000 0.461 67 V N -1.726 118.068 119.914 -0.200 0.000 3.596 67 V HA 0.491 4.611 4.120 -0.000 0.000 0.289 67 V C 1.161 177.202 176.094 -0.088 0.000 1.336 67 V CA 0.361 62.577 62.300 -0.139 0.000 1.137 67 V CB -0.347 31.425 31.823 -0.086 0.000 0.966 67 V HN 0.291 nan 8.190 nan 0.000 0.428 68 A N 1.701 124.470 122.820 -0.085 0.000 3.026 68 A HA 0.485 4.805 4.320 -0.000 0.000 0.272 68 A C 1.220 178.719 177.584 -0.141 0.000 1.782 68 A CA 0.231 52.202 52.037 -0.110 0.000 1.451 68 A CB -1.080 17.859 19.000 -0.102 0.000 1.081 68 A HN 0.900 nan 8.150 nan 0.000 0.611 69 I N -2.156 118.347 120.570 -0.113 0.000 3.428 69 I HA 0.130 4.300 4.170 -0.000 0.000 0.286 69 I C 0.338 176.383 176.117 -0.120 0.000 1.287 69 I CA 0.251 61.485 61.300 -0.109 0.000 1.396 69 I CB -0.226 37.735 38.000 -0.064 0.000 1.062 69 I HN 0.564 nan 8.210 nan 0.000 0.471 70 E N -0.523 119.602 120.200 -0.125 0.000 2.454 70 E HA 0.325 4.675 4.350 -0.000 0.000 0.279 70 E C -0.482 176.039 176.600 -0.132 0.000 1.029 70 E CA -0.828 55.508 56.400 -0.107 0.000 0.831 70 E CB 0.501 30.209 29.700 0.013 0.000 1.405 70 E HN -0.096 nan 8.360 nan 0.000 0.463 71 F N 0.427 120.370 119.950 -0.012 0.000 2.293 71 F HA -0.043 4.484 4.527 -0.001 0.000 0.300 71 F C 1.298 177.090 175.800 -0.014 0.000 1.086 71 F CA 0.714 58.712 58.000 -0.004 0.000 1.375 71 F CB 0.152 39.170 39.000 0.030 0.000 1.045 71 F HN 0.360 nan 8.300 nan 0.000 0.516 72 N N 1.192 119.981 118.700 0.148 0.000 2.558 72 N HA 0.128 4.868 4.740 -0.000 0.000 0.233 72 N C 0.685 176.202 175.510 0.012 0.000 1.038 72 N CA 0.124 53.217 53.050 0.071 0.000 0.934 72 N CB 0.390 38.916 38.487 0.064 0.000 1.175 72 N HN 0.182 nan 8.380 nan 0.000 0.512 73 L N 3.735 124.947 121.223 -0.020 0.000 2.072 73 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 73 L C -0.626 176.214 176.870 -0.051 0.000 1.079 73 L CA 0.906 55.711 54.840 -0.058 0.000 0.752 73 L CB -1.260 40.737 42.059 -0.103 0.000 0.906 73 L HN 0.383 nan 8.230 nan 0.000 0.436 74 P HA -0.200 nan 4.420 nan 0.000 0.215 74 P C 1.523 178.810 177.300 -0.022 0.000 1.153 74 P CA 1.350 64.427 63.100 -0.040 0.000 0.853 74 P CB -0.088 31.589 31.700 -0.038 0.000 0.788 75 R N 0.005 120.498 120.500 -0.012 0.000 2.115 75 R HA -0.080 4.259 4.340 -0.000 0.000 0.230 75 R C 1.747 178.045 176.300 -0.003 0.000 1.111 75 R CA 1.173 57.272 56.100 -0.002 0.000 0.976 75 R CB -0.707 29.599 30.300 0.010 0.000 0.870 75 R HN 0.005 nan 8.270 nan 0.000 0.445 76 V N 1.063 120.971 119.914 -0.011 0.000 2.594 76 V HA -0.187 3.933 4.120 -0.000 0.000 0.253 76 V C 2.330 178.419 176.094 -0.009 0.000 1.069 76 V CA 1.795 64.088 62.300 -0.013 0.000 1.082 76 V CB -0.559 31.247 31.823 -0.029 0.000 0.680 76 V HN 0.509 nan 8.190 nan 0.000 0.469 77 A N 0.448 123.260 122.820 -0.013 0.000 2.119 77 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 77 A C 2.372 179.956 177.584 -0.001 0.000 1.152 77 A CA 1.681 53.714 52.037 -0.007 0.000 0.708 77 A CB -0.540 18.451 19.000 -0.015 0.000 0.805 77 A HN 0.624 nan 8.150 nan 0.000 0.460 78 T N -2.417 112.136 114.554 -0.000 0.000 3.057 78 T HA 0.309 4.659 4.350 -0.000 0.000 0.254 78 T C 0.693 175.397 174.700 0.007 0.000 1.094 78 T CA -0.234 61.869 62.100 0.004 0.000 1.088 78 T CB -0.518 68.353 68.868 0.004 0.000 0.934 78 T HN 0.212 nan 8.240 nan 0.000 0.497 79 L N 2.325 123.552 121.223 0.007 0.000 2.506 79 L HA 0.261 4.601 4.340 -0.000 0.000 0.281 79 L C -2.100 174.776 176.870 0.011 0.000 1.228 79 L CA -1.892 52.953 54.840 0.009 0.000 0.850 79 L CB -0.151 41.914 42.059 0.010 0.000 1.110 79 L HN 0.062 nan 8.230 nan 0.000 0.496 80 P HA 0.003 nan 4.420 nan 0.000 0.265 80 P C 0.046 177.353 177.300 0.013 0.000 1.187 80 P CA -0.029 63.076 63.100 0.009 0.000 0.766 80 P CB 0.405 32.110 31.700 0.008 0.000 0.820 81 N N 1.460 120.166 118.700 0.010 0.000 2.205 81 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 81 N C 1.553 177.069 175.510 0.010 0.000 1.015 81 N CA 0.952 54.010 53.050 0.012 0.000 0.862 81 N CB -0.535 37.952 38.487 -0.000 0.000 0.986 81 N HN 0.154 nan 8.380 nan 0.000 0.429 82 V N 1.682 121.599 119.914 0.004 0.000 2.270 82 V HA -0.160 3.959 4.120 -0.000 0.000 0.245 82 V C 2.436 178.539 176.094 0.014 0.000 1.043 82 V CA 1.183 63.485 62.300 0.002 0.000 1.014 82 V CB -0.483 31.339 31.823 -0.002 0.000 0.645 82 V HN 0.211 nan 8.190 nan 0.000 0.447 83 L N -0.399 120.834 121.223 0.016 0.000 2.017 83 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 83 L C 2.491 179.378 176.870 0.028 0.000 1.073 83 L CA 1.177 56.028 54.840 0.018 0.000 0.745 83 L CB -0.751 41.316 42.059 0.014 0.000 0.894 83 L HN 0.205 nan 8.230 nan 0.000 0.432 84 V N -0.533 119.403 119.914 0.036 0.000 2.287 84 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 84 V C 2.565 178.718 176.094 0.098 0.000 1.053 84 V CA 2.411 64.743 62.300 0.053 0.000 1.027 84 V CB -0.906 30.953 31.823 0.060 0.000 0.646 84 V HN 0.477 nan 8.190 nan 0.000 0.447 85 T N 0.368 114.991 114.554 0.114 0.000 2.674 85 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 85 T C 1.884 176.660 174.700 0.128 0.000 1.039 85 T CA 1.434 63.634 62.100 0.168 0.000 1.150 85 T CB -0.335 68.554 68.868 0.035 0.000 0.864 85 T HN 0.147 nan 8.240 nan 0.000 0.427 86 L N 1.078 122.338 121.223 0.062 0.000 2.083 86 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 86 L C 2.479 179.370 176.870 0.035 0.000 1.083 86 L CA 1.571 56.435 54.840 0.041 0.000 0.752 86 L CB -0.788 41.284 42.059 0.022 0.000 0.899 86 L HN 0.167 nan 8.230 nan 0.000 0.433 87 R N -1.113 119.405 120.500 0.030 0.000 2.280 87 R HA 0.039 4.379 4.340 -0.000 0.000 0.207 87 R C 1.955 178.251 176.300 -0.007 0.000 1.043 87 R CA 0.845 56.949 56.100 0.007 0.000 1.006 87 R CB -0.190 30.109 30.300 -0.002 0.000 0.885 87 R HN 0.332 nan 8.270 nan 0.000 0.467 88 A N 0.490 123.319 122.820 0.016 0.000 2.021 88 A HA -0.001 4.318 4.320 -0.000 0.000 0.216 88 A C 2.231 179.802 177.584 -0.023 0.000 1.163 88 A CA 0.403 52.422 52.037 -0.030 0.000 0.676 88 A CB -0.061 18.908 19.000 -0.052 0.000 0.818 88 A HN 0.040 nan 8.150 nan 0.000 0.453 89 V N 1.471 121.402 119.914 0.028 0.000 2.255 89 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 89 V C -0.028 176.058 176.094 -0.014 0.000 1.051 89 V CA 2.600 64.911 62.300 0.019 0.000 1.018 89 V CB -1.557 30.285 31.823 0.031 0.000 0.641 89 V HN 0.444 nan 8.190 nan 0.000 0.445 90 P HA -0.160 nan 4.420 nan 0.000 0.216 90 P C 1.841 179.116 177.300 -0.041 0.000 1.150 90 P CA 1.673 64.759 63.100 -0.024 0.000 0.837 90 P CB -0.067 31.620 31.700 -0.021 0.000 0.786 91 I N -1.059 119.477 120.570 -0.057 0.000 2.179 91 I HA -0.234 3.935 4.170 -0.000 0.000 0.242 91 I C 2.783 178.848 176.117 -0.086 0.000 1.088 91 I CA 1.617 62.869 61.300 -0.080 0.000 1.357 91 I CB -0.585 37.351 38.000 -0.106 0.000 1.051 91 I HN -0.125 nan 8.210 nan 0.000 0.409 92 M N -0.344 119.201 119.600 -0.091 0.000 2.159 92 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 92 M C 2.474 178.726 176.300 -0.080 0.000 1.063 92 M CA 1.623 56.865 55.300 -0.097 0.000 1.110 92 M CB -0.336 32.205 32.600 -0.097 0.000 1.374 92 M HN 0.096 nan 8.290 nan 0.000 0.411 93 R N 0.055 120.517 120.500 -0.064 0.000 2.092 93 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 93 R C 2.130 178.409 176.300 -0.035 0.000 1.119 93 R CA 1.514 57.580 56.100 -0.057 0.000 0.970 93 R CB -0.202 30.077 30.300 -0.035 0.000 0.864 93 R HN 0.366 nan 8.270 nan 0.000 0.440 94 A N 0.055 122.860 122.820 -0.026 0.000 2.014 94 A HA -0.102 4.217 4.320 -0.000 0.000 0.218 94 A C 2.028 179.630 177.584 0.029 0.000 1.163 94 A CA 0.978 53.014 52.037 -0.001 0.000 0.652 94 A CB -0.272 18.722 19.000 -0.010 0.000 0.808 94 A HN 0.259 nan 8.150 nan 0.000 0.449 95 M N -1.280 118.326 119.600 0.010 0.000 2.099 95 M HA -0.095 4.384 4.480 -0.000 0.000 0.262 95 M C 2.142 178.537 176.300 0.159 0.000 1.067 95 M CA 1.300 56.638 55.300 0.064 0.000 1.124 95 M CB -0.404 32.177 32.600 -0.032 0.000 1.353 95 M HN 0.432 nan 8.290 nan 0.000 0.410 96 L N 0.484 121.734 121.223 0.043 0.000 2.046 96 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 96 L C 2.494 179.379 176.870 0.026 0.000 1.077 96 L CA 1.875 56.717 54.840 0.003 0.000 0.747 96 L CB -0.677 41.303 42.059 -0.131 0.000 0.896 96 L HN 0.130 nan 8.230 nan 0.000 0.432 97 R N 0.086 120.605 120.500 0.032 0.000 2.120 97 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 97 R C 2.086 178.417 176.300 0.052 0.000 1.123 97 R CA 1.390 57.513 56.100 0.038 0.000 0.975 97 R CB -0.334 29.985 30.300 0.032 0.000 0.866 97 R HN 0.365 nan 8.270 nan 0.000 0.446 98 R N -1.046 119.522 120.500 0.113 0.000 2.328 98 R HA 0.146 4.486 4.340 -0.000 0.000 0.200 98 R C 0.713 177.006 176.300 -0.012 0.000 0.983 98 R CA 0.647 56.835 56.100 0.147 0.000 1.062 98 R CB 0.221 30.734 30.300 0.356 0.000 0.956 98 R HN 0.493 nan 8.270 nan 0.000 0.479 99 G N 0.417 109.186 108.800 -0.052 0.000 2.176 99 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 99 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 99 G C -0.043 174.687 174.900 -0.283 0.000 0.986 99 G CA -0.558 44.418 45.100 -0.206 0.000 0.643 99 G HN 0.233 nan 8.290 nan 0.000 0.522 100 F N 2.580 122.517 119.950 -0.022 0.000 2.439 100 F HA 0.422 4.949 4.527 0.000 0.000 0.356 100 F C 1.922 177.689 175.800 -0.055 0.000 1.161 100 F CA 0.713 58.692 58.000 -0.034 0.000 1.151 100 F CB 1.150 40.140 39.000 -0.018 0.000 1.222 100 F HN 0.105 nan 8.300 nan 0.000 0.558 101 T N -2.103 112.482 114.554 0.052 0.000 3.057 101 T HA 0.122 4.472 4.350 -0.000 0.000 0.254 101 T C 0.659 175.370 174.700 0.018 0.000 1.094 101 T CA 0.249 62.351 62.100 0.004 0.000 1.088 101 T CB 0.018 68.870 68.868 -0.025 0.000 0.934 101 T HN 0.394 nan 8.240 nan 0.000 0.497 102 T N 2.046 116.640 114.554 0.066 0.000 2.912 102 T HA 0.662 5.012 4.350 -0.000 0.000 0.299 102 T C -1.011 173.749 174.700 0.100 0.000 1.052 102 T CA -0.695 61.455 62.100 0.083 0.000 0.996 102 T CB 2.279 71.194 68.868 0.078 0.000 1.070 102 T HN 0.389 nan 8.240 nan 0.000 0.465 103 V N 0.575 120.542 119.914 0.087 0.000 3.007 103 V HA 0.758 4.878 4.120 -0.000 0.000 0.311 103 V C -0.695 175.433 176.094 0.057 0.000 1.120 103 V CA -1.369 60.953 62.300 0.036 0.000 0.980 103 V CB 2.109 33.908 31.823 -0.039 0.000 1.033 103 V HN 0.852 nan 8.190 nan 0.000 0.429 104 R N 2.209 122.703 120.500 -0.010 0.000 2.229 104 R HA 0.341 4.681 4.340 -0.000 0.000 0.332 104 R C -0.730 175.496 176.300 -0.124 0.000 0.989 104 R CA -0.404 55.686 56.100 -0.015 0.000 0.842 104 R CB 0.875 31.144 30.300 -0.052 0.000 1.119 104 R HN 1.029 nan 8.270 nan 0.000 0.456 105 D N 3.341 123.672 120.400 -0.116 0.000 2.277 105 D HA 0.108 4.748 4.640 -0.000 0.000 0.249 105 D C 0.062 176.199 176.300 -0.272 0.000 1.134 105 D CA 0.042 53.910 54.000 -0.219 0.000 0.863 105 D CB 1.721 42.428 40.800 -0.154 0.000 1.143 105 D HN 0.697 nan 8.370 nan 0.000 0.458 106 A N 2.876 125.385 122.820 -0.518 0.000 2.275 106 A HA 0.469 4.789 4.320 -0.000 0.000 0.212 106 A C 0.830 178.351 177.584 -0.105 0.000 1.201 106 A CA 0.458 52.185 52.037 -0.516 0.000 0.843 106 A CB 0.142 18.378 19.000 -1.274 0.000 0.873 106 A HN 0.669 nan 8.150 nan 0.000 0.492 107 G N -2.971 105.849 108.800 0.034 0.000 2.146 107 G HA2 0.557 4.516 3.960 -0.000 0.000 0.261 107 G HA3 0.557 4.516 3.960 -0.000 0.000 0.261 107 G C 0.200 175.208 174.900 0.180 0.000 1.745 107 G CA 0.388 45.583 45.100 0.158 0.000 0.905 107 G HN 1.685 nan 8.290 nan 0.000 0.746 108 G N 0.856 109.701 108.800 0.075 0.000 2.134 108 G HA2 0.413 4.373 3.960 -0.000 0.000 0.225 108 G HA3 0.413 4.373 3.960 -0.000 0.000 0.225 108 G C 1.091 176.028 174.900 0.062 0.000 1.944 108 G CA 1.208 46.339 45.100 0.052 0.000 1.512 108 G HN 2.536 nan 8.290 nan 0.000 0.493 109 A N 1.547 124.362 122.820 -0.010 0.000 2.591 109 A HA 0.508 4.828 4.320 -0.000 0.000 0.244 109 A C 1.125 178.804 177.584 0.158 0.000 1.031 109 A CA 2.082 54.132 52.037 0.021 0.000 0.767 109 A CB -0.336 18.516 19.000 -0.248 0.000 0.942 109 A HN 2.176 nan 8.150 nan 0.000 0.514 110 G N 0.069 109.057 108.800 0.313 0.000 2.887 110 G HA2 0.409 4.369 3.960 -0.000 0.000 0.277 110 G HA3 0.409 4.369 3.960 -0.000 0.000 0.277 110 G C 0.495 175.522 174.900 0.211 0.000 1.346 110 G CA -0.004 45.218 45.100 0.205 0.000 1.058 110 G HN 0.760 nan 8.290 nan 0.000 0.535 111 Y N 0.974 121.294 120.300 0.034 0.000 2.241 111 Y HA -0.081 4.469 4.550 -0.000 0.000 0.286 111 Y C -0.132 175.761 175.900 -0.013 0.000 1.166 111 Y CA 2.200 60.299 58.100 -0.001 0.000 1.203 111 Y CB -0.625 37.820 38.460 -0.024 0.000 0.977 111 Y HN 0.311 nan 8.280 nan 0.000 0.529 112 P HA -0.200 nan 4.420 nan 0.000 0.215 112 P C 1.364 178.513 177.300 -0.252 0.000 1.153 112 P CA 1.863 64.859 63.100 -0.173 0.000 0.853 112 P CB -0.272 31.308 31.700 -0.198 0.000 0.788 113 F N 0.264 120.150 119.950 -0.107 0.000 2.134 113 F HA -0.121 4.405 4.527 -0.000 0.000 0.299 113 F C 2.431 178.129 175.800 -0.171 0.000 1.097 113 F CA 1.439 59.371 58.000 -0.114 0.000 1.264 113 F CB -0.871 38.080 39.000 -0.080 0.000 1.001 113 F HN -0.146 nan 8.300 nan 0.000 0.479 114 K N 0.267 120.641 120.400 -0.044 0.000 2.057 114 K HA -0.223 4.096 4.320 -0.000 0.000 0.207 114 K C 1.982 178.401 176.600 -0.301 0.000 1.049 114 K CA 1.677 57.846 56.287 -0.197 0.000 0.931 114 K CB -0.126 32.212 32.500 -0.271 0.000 0.714 114 K HN 0.348 nan 8.250 nan 0.000 0.440 115 Q N -0.150 119.384 119.800 -0.444 0.000 2.046 115 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 115 Q C 2.240 178.124 176.000 -0.194 0.000 0.975 115 Q CA 1.276 56.854 55.803 -0.374 0.000 0.836 115 Q CB -0.220 28.283 28.738 -0.391 0.000 0.896 115 Q HN 0.396 nan 8.270 nan 0.000 0.428 116 A N 0.860 123.584 122.820 -0.160 0.000 1.903 116 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 116 A C 2.403 179.950 177.584 -0.061 0.000 1.191 116 A CA 1.912 53.891 52.037 -0.096 0.000 0.638 116 A CB -0.990 17.958 19.000 -0.087 0.000 0.823 116 A HN 0.223 nan 8.150 nan 0.000 0.451 117 V N 0.029 119.908 119.914 -0.058 0.000 2.307 117 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 117 V C 2.542 178.600 176.094 -0.060 0.000 1.045 117 V CA 2.082 64.346 62.300 -0.059 0.000 1.024 117 V CB -0.745 31.033 31.823 -0.075 0.000 0.651 117 V HN 0.516 nan 8.190 nan 0.000 0.449 118 E N 0.765 120.913 120.200 -0.087 0.000 2.150 118 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 118 E C 2.401 178.980 176.600 -0.035 0.000 0.985 118 E CA 1.531 57.889 56.400 -0.068 0.000 0.814 118 E CB -0.380 29.260 29.700 -0.099 0.000 0.752 118 E HN 0.745 nan 8.360 nan 0.000 0.466 119 S N -0.846 114.827 115.700 -0.044 0.000 2.603 119 S HA 0.134 4.604 4.470 -0.000 0.000 0.220 119 S C 1.602 176.203 174.600 0.000 0.000 0.967 119 S CA 0.780 58.967 58.200 -0.022 0.000 0.920 119 S CB 0.069 63.247 63.200 -0.036 0.000 0.773 119 S HN 0.292 nan 8.310 nan 0.000 0.529 120 G N 0.842 109.648 108.800 0.011 0.000 2.184 120 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 120 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 120 G C 0.522 175.438 174.900 0.027 0.000 0.975 120 G CA 0.431 45.556 45.100 0.042 0.000 0.642 120 G HN 0.661 nan 8.290 nan 0.000 0.536 121 L N 0.418 121.642 121.223 0.001 0.000 2.127 121 L HA 0.364 4.704 4.340 -0.000 0.000 0.211 121 L C 1.568 178.440 176.870 0.003 0.000 1.089 121 L CA 2.538 57.376 54.840 -0.004 0.000 0.757 121 L CB -0.067 41.977 42.059 -0.025 0.000 0.899 121 L HN 1.106 nan 8.230 nan 0.000 0.434 122 V N -3.755 116.160 119.914 0.001 0.000 3.141 122 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 122 V C -0.718 175.364 176.094 -0.019 0.000 1.157 122 V CA -0.979 61.321 62.300 0.001 0.000 1.041 122 V CB 1.821 33.650 31.823 0.009 0.000 1.071 122 V HN 0.155 nan 8.190 nan 0.000 0.441 123 E N 0.550 120.722 120.200 -0.047 0.000 2.179 123 E HA 0.779 5.128 4.350 -0.000 0.000 0.275 123 E C -0.048 176.430 176.600 -0.203 0.000 0.945 123 E CA -0.030 56.273 56.400 -0.161 0.000 0.792 123 E CB 1.885 31.501 29.700 -0.140 0.000 1.125 123 E HN 1.303 nan 8.360 nan 0.000 0.397 124 G N 2.506 111.125 108.800 -0.302 0.000 2.340 124 G HA2 0.265 4.225 3.960 -0.000 0.000 0.299 124 G HA3 0.265 4.225 3.960 -0.000 0.000 0.299 124 G C -3.086 171.675 174.900 -0.231 0.000 1.291 124 G CA -0.941 44.024 45.100 -0.225 0.000 0.841 124 G HN 0.251 nan 8.290 nan 0.000 0.500 125 P HA 0.289 nan 4.420 nan 0.000 0.272 125 P C -0.099 177.151 177.300 -0.082 0.000 1.223 125 P CA -0.435 62.613 63.100 -0.087 0.000 0.784 125 P CB 0.541 32.227 31.700 -0.024 0.000 0.923 126 R N 2.705 123.170 120.500 -0.059 0.000 2.585 126 R HA 0.122 4.462 4.340 -0.000 0.000 0.275 126 R C -0.782 175.519 176.300 0.001 0.000 1.018 126 R CA 0.147 56.215 56.100 -0.053 0.000 1.072 126 R CB -0.337 29.939 30.300 -0.039 0.000 0.953 126 R HN 0.472 nan 8.270 nan 0.000 0.419 127 L N 5.685 126.866 121.223 -0.071 0.000 2.305 127 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 127 L C -0.939 175.868 176.870 -0.105 0.000 1.013 127 L CA -0.684 54.133 54.840 -0.039 0.000 0.819 127 L CB 1.273 43.291 42.059 -0.069 0.000 1.227 127 L HN 0.612 nan 8.230 nan 0.000 0.417 128 F N 3.547 123.467 119.950 -0.049 0.000 2.308 128 F HA 0.344 4.871 4.527 -0.000 0.000 0.370 128 F C 0.370 176.139 175.800 -0.052 0.000 1.100 128 F CA -0.760 57.220 58.000 -0.033 0.000 1.108 128 F CB 1.517 40.503 39.000 -0.024 0.000 1.293 128 F HN 0.141 nan 8.300 nan 0.000 0.478 129 V N 0.098 120.047 119.914 0.058 0.000 2.612 129 V HA 0.535 4.654 4.120 -0.000 0.000 0.301 129 V C 0.417 176.515 176.094 0.008 0.000 1.046 129 V CA -0.354 61.960 62.300 0.023 0.000 0.946 129 V CB 1.720 33.565 31.823 0.037 0.000 1.003 129 V HN 0.623 nan 8.190 nan 0.000 0.459 130 S N 2.109 117.798 115.700 -0.020 0.000 2.517 130 S HA 0.454 4.924 4.470 -0.000 0.000 0.214 130 S C 1.190 175.783 174.600 -0.011 0.000 0.991 130 S CA 0.605 58.781 58.200 -0.039 0.000 0.906 130 S CB -0.127 63.037 63.200 -0.060 0.000 0.789 130 S HN 1.939 nan 8.310 nan 0.000 0.513 131 G N 2.220 111.031 108.800 0.019 0.000 2.527 131 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.268 131 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.268 131 G C -0.384 174.536 174.900 0.034 0.000 1.175 131 G CA -0.388 44.734 45.100 0.036 0.000 0.962 131 G HN 0.448 nan 8.290 nan 0.000 0.560 132 R N 0.815 121.333 120.500 0.030 0.000 2.349 132 R HA 0.600 4.940 4.340 -0.000 0.000 0.299 132 R C 0.757 177.076 176.300 0.031 0.000 1.027 132 R CA 0.061 56.179 56.100 0.031 0.000 0.958 132 R CB 1.213 31.529 30.300 0.027 0.000 1.047 132 R HN 1.026 nan 8.270 nan 0.000 0.468 133 A N 3.623 126.467 122.820 0.039 0.000 2.511 133 A HA 0.111 4.430 4.320 -0.000 0.000 0.242 133 A C -0.337 177.286 177.584 0.066 0.000 1.069 133 A CA -0.253 51.816 52.037 0.053 0.000 0.763 133 A CB 0.106 19.145 19.000 0.066 0.000 1.001 133 A HN 0.433 nan 8.150 nan 0.000 0.498 134 L N 2.483 123.765 121.223 0.098 0.000 2.319 134 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 134 L C 0.766 177.776 176.870 0.232 0.000 1.099 134 L CA 0.951 55.890 54.840 0.165 0.000 0.828 134 L CB 1.153 43.311 42.059 0.166 0.000 1.150 134 L HN 0.733 nan 8.230 nan 0.000 0.442 135 S N 2.533 118.323 115.700 0.150 0.000 2.570 135 S HA 0.637 5.107 4.470 -0.000 0.000 0.286 135 S C -0.692 173.816 174.600 -0.154 0.000 1.099 135 S CA -0.818 57.356 58.200 -0.044 0.000 0.913 135 S CB 1.387 64.558 63.200 -0.048 0.000 1.085 135 S HN 0.642 nan 8.310 nan 0.000 0.480 136 Q N 1.403 120.885 119.800 -0.529 0.000 2.316 136 Q HA 0.469 4.809 4.340 -0.000 0.000 0.215 136 Q C -0.512 175.395 176.000 -0.154 0.000 1.020 136 Q CA -0.645 54.940 55.803 -0.364 0.000 0.970 136 Q CB -0.127 28.297 28.738 -0.523 0.000 1.187 136 Q HN 0.491 nan 8.270 nan 0.000 0.546 137 T N 0.923 115.431 114.554 -0.076 0.000 2.871 137 T HA 0.282 4.632 4.350 -0.000 0.000 0.296 137 T C 1.025 175.689 174.700 -0.059 0.000 0.998 137 T CA 1.064 63.134 62.100 -0.049 0.000 1.162 137 T CB -0.093 68.761 68.868 -0.023 0.000 0.947 137 T HN 0.956 nan 8.240 nan 0.000 0.536 138 G N 2.756 111.523 108.800 -0.055 0.000 2.162 138 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.260 138 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.260 138 G C 0.551 175.424 174.900 -0.045 0.000 0.976 138 G CA 0.000 45.072 45.100 -0.048 0.000 0.655 138 G HN 1.126 nan 8.290 nan 0.000 0.533 139 G N -1.775 106.984 108.800 -0.069 0.000 2.621 139 G HA2 0.437 4.397 3.960 -0.000 0.000 0.271 139 G HA3 0.437 4.397 3.960 -0.000 0.000 0.271 139 G C 0.705 175.598 174.900 -0.012 0.000 1.236 139 G CA 0.648 45.713 45.100 -0.059 0.000 0.958 139 G HN 0.422 nan 8.290 nan 0.000 0.512 140 H N 0.175 119.182 119.070 -0.105 0.000 2.265 140 H HA -0.164 4.392 4.556 -0.001 0.000 0.293 140 H C 2.547 177.807 175.328 -0.113 0.000 1.089 140 H CA 2.670 58.643 56.048 -0.125 0.000 1.244 140 H CB -0.148 29.449 29.762 -0.275 0.000 1.355 140 H HN 0.422 nan 8.280 nan 0.000 0.485 141 A N -0.097 122.678 122.820 -0.075 0.000 2.302 141 A HA 0.058 4.377 4.320 -0.000 0.000 0.219 141 A C 0.333 177.862 177.584 -0.092 0.000 1.243 141 A CA 0.388 52.359 52.037 -0.110 0.000 0.856 141 A CB -0.161 18.815 19.000 -0.040 0.000 0.893 141 A HN 0.422 nan 8.150 nan 0.000 0.491 142 D N 0.680 121.025 120.400 -0.091 0.000 2.380 142 D HA 0.247 4.886 4.640 -0.000 0.000 0.230 142 D C -1.679 174.570 176.300 -0.085 0.000 1.154 142 D CA -1.969 51.986 54.000 -0.074 0.000 0.859 142 D CB 1.464 42.225 40.800 -0.064 0.000 1.045 142 D HN 0.116 nan 8.370 nan 0.000 0.495 143 P HA 0.042 nan 4.420 nan 0.000 0.245 143 P C 0.144 177.403 177.300 -0.067 0.000 1.206 143 P CA -0.020 63.034 63.100 -0.077 0.000 0.781 143 P CB 0.456 32.117 31.700 -0.064 0.000 0.994 144 R N 0.667 121.127 120.500 -0.067 0.000 2.537 144 R HA 0.398 4.738 4.340 -0.000 0.000 0.280 144 R C 0.669 176.917 176.300 -0.086 0.000 1.058 144 R CA -0.251 55.803 56.100 -0.077 0.000 1.057 144 R CB 0.302 30.549 30.300 -0.088 0.000 0.973 144 R HN 0.080 nan 8.270 nan 0.000 0.438 145 A N 2.914 125.679 122.820 -0.092 0.000 2.332 145 A HA 0.174 4.494 4.320 -0.000 0.000 0.258 145 A C 0.094 177.608 177.584 -0.118 0.000 1.087 145 A CA -0.414 51.571 52.037 -0.087 0.000 0.802 145 A CB 0.398 19.357 19.000 -0.069 0.000 1.042 145 A HN 0.795 nan 8.150 nan 0.000 0.489 146 R N 0.870 121.316 120.500 -0.090 0.000 2.347 146 R HA 0.453 4.793 4.340 -0.000 0.000 0.304 146 R C 0.028 176.266 176.300 -0.103 0.000 1.072 146 R CA 0.685 56.729 56.100 -0.092 0.000 0.980 146 R CB 0.390 30.656 30.300 -0.057 0.000 0.986 146 R HN 0.826 nan 8.270 nan 0.000 0.448 147 S N 1.118 116.732 115.700 -0.143 0.000 3.287 147 S HA 0.144 4.614 4.470 -0.000 0.000 0.324 147 S C -1.349 173.217 174.600 -0.058 0.000 1.205 147 S CA -0.370 57.765 58.200 -0.108 0.000 1.020 147 S CB 0.881 63.966 63.200 -0.191 0.000 1.398 147 S HN 0.796 nan 8.310 nan 0.000 0.679 148 D N 0.551 120.988 120.400 0.061 0.000 2.755 148 D HA 0.289 4.929 4.640 -0.000 0.000 0.257 148 D C -0.345 176.101 176.300 0.242 0.000 1.291 148 D CA -0.103 53.968 54.000 0.119 0.000 0.836 148 D CB -0.581 40.293 40.800 0.123 0.000 1.059 148 D HN 0.530 nan 8.370 nan 0.000 0.486 149 Y N -3.427 116.872 120.300 -0.003 0.000 2.620 149 Y HA 0.475 5.025 4.550 -0.000 0.000 0.331 149 Y C -1.517 174.382 175.900 -0.003 0.000 1.173 149 Y CA -1.499 56.600 58.100 -0.002 0.000 1.076 149 Y CB 0.833 39.291 38.460 -0.002 0.000 1.336 149 Y HN -0.259 nan 8.280 nan 0.000 0.459 150 M N 5.066 124.678 119.600 0.021 0.000 2.055 150 M HA 0.362 4.842 4.480 -0.000 0.000 0.347 150 M C -2.614 173.716 176.300 0.050 0.000 1.123 150 M CA -2.041 53.231 55.300 -0.046 0.000 1.035 150 M CB 0.227 32.821 32.600 -0.010 0.000 1.484 150 M HN 0.566 nan 8.290 nan 0.000 0.428 151 P HA 0.365 nan 4.420 nan 0.000 0.274 151 P C -2.697 174.628 177.300 0.042 0.000 1.237 151 P CA -1.139 62.019 63.100 0.097 0.000 0.793 151 P CB -0.578 31.168 31.700 0.076 0.000 0.977 152 P HA -0.055 nan 4.420 nan 0.000 0.264 152 P C 0.764 178.072 177.300 0.014 0.000 1.183 152 P CA 0.363 63.480 63.100 0.029 0.000 0.763 152 P CB 0.172 31.889 31.700 0.029 0.000 0.807 153 D N 2.172 122.577 120.400 0.008 0.000 2.154 153 D HA -0.170 4.470 4.640 -0.000 0.000 0.190 153 D C 0.243 176.543 176.300 0.000 0.000 1.003 153 D CA 1.974 55.974 54.000 -0.000 0.000 0.849 153 D CB 0.042 40.845 40.800 0.004 0.000 0.942 153 D HN 0.449 nan 8.370 nan 0.000 0.446 154 S N -2.340 113.364 115.700 0.006 0.000 2.632 154 S HA 0.542 5.011 4.470 -0.000 0.000 0.289 154 S C -1.897 172.710 174.600 0.011 0.000 1.115 154 S CA -0.936 57.268 58.200 0.006 0.000 0.889 154 S CB 1.853 65.057 63.200 0.006 0.000 1.116 154 S HN -0.045 nan 8.310 nan 0.000 0.486 155 P HA 0.008 nan 4.420 nan 0.000 0.214 155 P C 0.458 177.765 177.300 0.011 0.000 1.163 155 P CA 0.935 64.042 63.100 0.012 0.000 0.883 155 P CB -0.116 31.591 31.700 0.010 0.000 0.788 156 C N -0.518 118.787 119.300 0.009 0.000 2.441 156 C HA 0.698 5.158 4.460 -0.000 0.000 0.318 156 C C 2.120 177.114 174.990 0.007 0.000 1.222 156 C CA 0.045 59.067 59.018 0.008 0.000 1.474 156 C CB 0.512 28.256 27.740 0.006 0.000 2.125 156 C HN 0.392 nan 8.230 nan 0.000 0.479 157 G N 2.632 111.436 108.800 0.007 0.000 2.511 157 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 157 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 157 G C 1.569 176.473 174.900 0.006 0.000 1.218 157 G CA 1.799 46.903 45.100 0.007 0.000 0.788 157 G HN 0.907 nan 8.290 nan 0.000 0.560 158 C N -0.119 119.183 119.300 0.004 0.000 2.413 158 C HA 0.069 4.529 4.460 -0.000 0.000 0.277 158 C C 1.795 176.786 174.990 0.002 0.000 1.265 158 C CA -0.885 58.134 59.018 0.002 0.000 1.752 158 C CB -1.240 26.500 27.740 0.000 0.000 1.998 158 C HN 0.370 nan 8.230 nan 0.000 0.489 159 C N 2.295 121.597 119.300 0.003 0.000 2.325 159 C HA 0.528 4.987 4.460 -0.000 0.000 0.347 159 C C 0.575 175.569 174.990 0.006 0.000 1.263 159 C CA -0.675 58.344 59.018 0.003 0.000 1.806 159 C CB -0.581 27.160 27.740 0.002 0.000 2.405 159 C HN 0.496 nan 8.230 nan 0.000 0.537 160 V N 7.138 127.057 119.914 0.008 0.000 2.614 160 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 160 V C 0.193 176.296 176.094 0.015 0.000 1.049 160 V CA -0.194 62.114 62.300 0.014 0.000 1.038 160 V CB 0.580 32.415 31.823 0.020 0.000 0.980 160 V HN 0.760 nan 8.190 nan 0.000 0.481 161 R N 3.828 124.338 120.500 0.017 0.000 2.390 161 R HA 0.346 4.686 4.340 -0.000 0.000 0.291 161 R C 0.999 177.320 176.300 0.034 0.000 1.070 161 R CA -0.318 55.793 56.100 0.019 0.000 1.014 161 R CB 1.576 31.884 30.300 0.013 0.000 1.007 161 R HN 0.746 nan 8.270 nan 0.000 0.466 162 V N 1.953 121.893 119.914 0.043 0.000 2.626 162 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 162 V C 1.899 178.048 176.094 0.092 0.000 1.067 162 V CA 2.328 64.680 62.300 0.087 0.000 1.081 162 V CB -0.361 31.515 31.823 0.088 0.000 0.686 162 V HN 0.988 nan 8.190 nan 0.000 0.468 163 G N -0.527 108.302 108.800 0.049 0.000 3.141 163 G HA2 0.334 4.294 3.960 -0.000 0.000 0.218 163 G HA3 0.334 4.294 3.960 -0.000 0.000 0.218 163 G C 0.542 175.443 174.900 0.003 0.000 1.170 163 G CA 0.527 45.641 45.100 0.024 0.000 0.769 163 G HN 0.546 nan 8.290 nan 0.000 0.546 164 A N 0.531 123.358 122.820 0.012 0.000 2.302 164 A HA 0.592 4.911 4.320 -0.000 0.000 0.295 164 A C 1.214 178.795 177.584 -0.005 0.000 1.235 164 A CA -0.477 51.558 52.037 -0.003 0.000 0.876 164 A CB 0.422 19.425 19.000 0.004 0.000 1.133 164 A HN 0.216 nan 8.150 nan 0.000 0.533 165 L N 2.521 123.722 121.223 -0.037 0.000 2.240 165 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 165 L C 1.423 178.284 176.870 -0.014 0.000 1.106 165 L CA 1.040 55.855 54.840 -0.042 0.000 0.793 165 L CB -0.397 41.576 42.059 -0.143 0.000 0.927 165 L HN 0.778 nan 8.230 nan 0.000 0.446 166 G N 0.093 108.881 108.800 -0.021 0.000 2.921 166 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 166 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 166 G C -1.315 173.587 174.900 0.003 0.000 1.370 166 G CA -0.661 44.438 45.100 -0.002 0.000 0.847 166 G HN 0.150 nan 8.290 nan 0.000 0.532 167 R N -1.360 119.150 120.500 0.016 0.000 2.643 167 R HA 0.651 4.991 4.340 -0.000 0.000 0.269 167 R C -1.722 174.598 176.300 0.032 0.000 1.037 167 R CA -0.766 55.346 56.100 0.020 0.000 0.894 167 R CB 1.648 31.963 30.300 0.026 0.000 1.238 167 R HN 0.379 nan 8.270 nan 0.000 0.459 168 V N 1.178 121.106 119.914 0.024 0.000 2.607 168 V HA 0.775 4.895 4.120 -0.000 0.000 0.289 168 V C -0.008 176.123 176.094 0.062 0.000 1.053 168 V CA 0.001 62.320 62.300 0.033 0.000 0.996 168 V CB 1.196 33.025 31.823 0.009 0.000 0.995 168 V HN 0.987 nan 8.190 nan 0.000 0.476 169 A N 3.869 126.753 122.820 0.107 0.000 2.532 169 A HA 0.668 4.988 4.320 -0.000 0.000 0.296 169 A C -1.417 176.293 177.584 0.210 0.000 1.058 169 A CA -0.721 51.395 52.037 0.131 0.000 0.729 169 A CB 1.374 20.449 19.000 0.124 0.000 1.285 169 A HN 0.754 nan 8.150 nan 0.000 0.396 170 D N 0.915 121.404 120.400 0.148 0.000 2.780 170 D HA 0.623 5.262 4.640 -0.000 0.000 0.242 170 D C 0.147 176.512 176.300 0.109 0.000 1.135 170 D CA 0.794 54.895 54.000 0.169 0.000 0.859 170 D CB 2.096 42.959 40.800 0.105 0.000 1.530 170 D HN 1.732 nan 8.370 nan 0.000 0.493 171 G N 0.033 108.899 108.800 0.110 0.000 2.719 171 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.686 171 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.686 171 G C 0.791 175.701 174.900 0.017 0.000 1.201 171 G CA -0.505 44.628 45.100 0.056 0.000 0.768 171 G HN 0.329 nan 8.290 nan 0.000 0.629 172 V N 1.210 121.124 119.914 -0.000 0.000 2.324 172 V HA -0.213 3.906 4.120 -0.000 0.000 0.250 172 V C 2.615 178.696 176.094 -0.022 0.000 1.060 172 V CA 2.878 65.163 62.300 -0.025 0.000 1.042 172 V CB -0.513 31.299 31.823 -0.017 0.000 0.650 172 V HN 0.799 nan 8.190 nan 0.000 0.450 173 D N -0.433 119.963 120.400 -0.006 0.000 2.097 173 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 173 D C 2.301 178.598 176.300 -0.005 0.000 0.984 173 D CA 1.150 55.147 54.000 -0.005 0.000 0.826 173 D CB -0.206 40.595 40.800 0.002 0.000 0.973 173 D HN 0.523 nan 8.370 nan 0.000 0.460 174 E N 0.138 120.341 120.200 0.006 0.000 2.110 174 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 174 E C 2.242 178.843 176.600 0.001 0.000 0.988 174 E CA 1.128 57.535 56.400 0.013 0.000 0.804 174 E CB 0.141 29.862 29.700 0.035 0.000 0.745 174 E HN 0.272 nan 8.360 nan 0.000 0.458 175 V N -1.447 118.453 119.914 -0.023 0.000 2.788 175 V HA -0.038 4.082 4.120 -0.000 0.000 0.251 175 V C 2.072 178.127 176.094 -0.065 0.000 1.068 175 V CA 0.966 63.226 62.300 -0.066 0.000 1.090 175 V CB -0.309 31.403 31.823 -0.186 0.000 0.710 175 V HN 0.056 nan 8.190 nan 0.000 0.467 176 R N 0.253 120.723 120.500 -0.050 0.000 2.062 176 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 176 R C 2.701 178.983 176.300 -0.029 0.000 1.136 176 R CA 1.940 58.016 56.100 -0.040 0.000 0.948 176 R CB -0.383 29.898 30.300 -0.031 0.000 0.845 176 R HN 0.462 nan 8.270 nan 0.000 0.430 177 R N 0.278 120.766 120.500 -0.020 0.000 2.091 177 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 177 R C 2.160 178.451 176.300 -0.014 0.000 1.136 177 R CA 1.642 57.733 56.100 -0.014 0.000 0.959 177 R CB -0.269 30.027 30.300 -0.007 0.000 0.856 177 R HN 0.242 nan 8.270 nan 0.000 0.437 178 A N 0.023 122.837 122.820 -0.011 0.000 1.883 178 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 178 A C 2.267 179.842 177.584 -0.016 0.000 1.186 178 A CA 1.801 53.835 52.037 -0.006 0.000 0.624 178 A CB -0.707 18.296 19.000 0.006 0.000 0.822 178 A HN 0.234 nan 8.150 nan 0.000 0.444 179 V N -0.100 119.797 119.914 -0.028 0.000 2.343 179 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 179 V C 2.649 178.723 176.094 -0.034 0.000 1.051 179 V CA 2.274 64.553 62.300 -0.035 0.000 1.036 179 V CB -0.821 30.974 31.823 -0.047 0.000 0.654 179 V HN 0.528 nan 8.190 nan 0.000 0.451 180 R N -0.216 120.265 120.500 -0.031 0.000 2.096 180 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 180 R C 2.299 178.580 176.300 -0.032 0.000 1.127 180 R CA 1.614 57.696 56.100 -0.031 0.000 0.968 180 R CB -0.272 30.013 30.300 -0.026 0.000 0.861 180 R HN 0.634 nan 8.270 nan 0.000 0.440 181 E N 0.307 120.492 120.200 -0.026 0.000 2.051 181 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 181 E C 1.929 178.512 176.600 -0.028 0.000 0.991 181 E CA 0.900 57.286 56.400 -0.024 0.000 0.799 181 E CB 0.054 29.746 29.700 -0.014 0.000 0.748 181 E HN 0.258 nan 8.360 nan 0.000 0.449 182 E N 0.823 121.008 120.200 -0.025 0.000 2.077 182 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 182 E C 2.303 178.877 176.600 -0.043 0.000 0.989 182 E CA 0.713 57.098 56.400 -0.025 0.000 0.800 182 E CB -0.243 29.445 29.700 -0.019 0.000 0.746 182 E HN 0.304 nan 8.360 nan 0.000 0.452 183 L N 0.898 122.092 121.223 -0.049 0.000 2.046 183 L HA -0.248 4.091 4.340 -0.000 0.000 0.208 183 L C 2.732 179.550 176.870 -0.086 0.000 1.077 183 L CA 1.576 56.378 54.840 -0.063 0.000 0.747 183 L CB -0.520 41.506 42.059 -0.054 0.000 0.896 183 L HN 0.158 nan 8.230 nan 0.000 0.432 184 Q N -0.014 119.741 119.800 -0.075 0.000 2.167 184 Q HA -0.193 4.146 4.340 -0.000 0.000 0.202 184 Q C 1.947 177.874 176.000 -0.122 0.000 0.970 184 Q CA 1.692 57.441 55.803 -0.089 0.000 0.855 184 Q CB -0.394 28.306 28.738 -0.062 0.000 0.911 184 Q HN 0.433 nan 8.270 nan 0.000 0.438 185 M N -0.740 118.800 119.600 -0.100 0.000 2.562 185 M HA 0.161 4.641 4.480 -0.000 0.000 0.257 185 M C 0.539 176.730 176.300 -0.181 0.000 1.099 185 M CA 1.040 56.280 55.300 -0.100 0.000 1.099 185 M CB 0.326 32.906 32.600 -0.035 0.000 1.427 185 M HN 0.625 nan 8.290 nan 0.000 0.489 186 G N 0.041 108.705 108.800 -0.226 0.000 2.159 186 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.170 186 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.170 186 G C 0.124 174.974 174.900 -0.083 0.000 1.007 186 G CA -0.225 44.657 45.100 -0.364 0.000 0.672 186 G HN 0.639 nan 8.290 nan 0.000 0.507 187 A N 0.437 123.235 122.820 -0.037 0.000 2.565 187 A HA 0.437 4.757 4.320 -0.000 0.000 0.237 187 A C 1.249 178.823 177.584 -0.017 0.000 1.053 187 A CA 1.108 53.141 52.037 -0.007 0.000 0.755 187 A CB 0.258 19.241 19.000 -0.027 0.000 0.980 187 A HN 0.260 nan 8.150 nan 0.000 0.506 188 D N 0.215 120.618 120.400 0.005 0.000 2.289 188 D HA -0.007 4.633 4.640 -0.000 0.000 0.207 188 D C 0.849 177.131 176.300 -0.031 0.000 0.966 188 D CA 1.242 55.257 54.000 0.024 0.000 0.868 188 D CB 0.341 41.198 40.800 0.095 0.000 0.943 188 D HN 0.801 nan 8.370 nan 0.000 0.514 189 Q N -0.309 119.421 119.800 -0.117 0.000 2.782 189 Q HA 0.268 4.608 4.340 -0.000 0.000 0.308 189 Q C -1.522 174.335 176.000 -0.238 0.000 0.883 189 Q CA -0.681 54.935 55.803 -0.312 0.000 0.755 189 Q CB 1.346 29.696 28.738 -0.647 0.000 1.454 189 Q HN -0.173 nan 8.270 nan 0.000 0.452 193 M N 3.816 123.508 119.600 0.154 0.000 2.108 193 M HA 0.456 4.935 4.480 -0.000 0.000 0.347 193 M C 0.651 177.028 176.300 0.129 0.000 1.326 193 M CA -0.250 55.100 55.300 0.083 0.000 1.126 193 M CB 0.518 33.109 32.600 -0.015 0.000 1.606 193 M HN 0.873 nan 8.290 nan 0.000 0.462 194 A N 2.565 125.480 122.820 0.158 0.000 2.465 194 A HA 0.453 4.773 4.320 -0.000 0.000 0.255 194 A C 0.643 178.293 177.584 0.110 0.000 1.274 194 A CA 0.301 52.413 52.037 0.125 0.000 0.920 194 A CB 0.162 19.207 19.000 0.075 0.000 1.033 194 A HN 0.805 nan 8.150 nan 0.000 0.516 195 S N -2.225 113.577 115.700 0.170 0.000 2.661 195 S HA 0.622 5.091 4.470 -0.000 0.000 0.268 195 S C 0.252 174.968 174.600 0.193 0.000 1.162 195 S CA -0.088 58.224 58.200 0.188 0.000 0.817 195 S CB 0.278 63.571 63.200 0.156 0.000 1.141 195 S HN 1.072 nan 8.310 nan 0.000 0.477 196 G N -0.627 108.301 108.800 0.214 0.000 2.667 196 G HA2 0.573 4.533 3.960 -0.000 0.000 0.250 196 G HA3 0.573 4.533 3.960 -0.000 0.000 0.250 196 G C 0.340 175.448 174.900 0.346 0.000 1.212 196 G CA -0.106 45.136 45.100 0.237 0.000 0.874 196 G HN 1.339 nan 8.290 nan 0.000 0.561 197 G N -2.207 106.850 108.800 0.428 0.000 2.766 197 G HA2 0.466 4.425 3.960 -0.000 0.000 0.288 197 G HA3 0.466 4.425 3.960 -0.000 0.000 0.288 197 G C 0.377 175.582 174.900 0.508 0.000 1.408 197 G CA 0.168 45.561 45.100 0.488 0.000 0.852 197 G HN 0.635 nan 8.290 nan 0.000 0.487 198 V N 0.507 120.710 119.914 0.483 0.000 2.426 198 V HA 0.173 4.293 4.120 -0.000 0.000 0.242 198 V C 2.563 178.775 176.094 0.197 0.000 1.036 198 V CA 1.790 64.237 62.300 0.246 0.000 1.044 198 V CB -0.309 31.620 31.823 0.177 0.000 0.688 198 V HN 0.859 nan 8.190 nan 0.000 0.462 199 A N 0.477 123.428 122.820 0.219 0.000 2.543 199 A HA 0.408 4.727 4.320 -0.000 0.000 0.258 199 A C 0.638 178.187 177.584 -0.058 0.000 1.391 199 A CA 0.136 52.222 52.037 0.083 0.000 1.066 199 A CB -0.607 18.447 19.000 0.090 0.000 0.972 199 A HN 0.435 nan 8.150 nan 0.000 0.560 200 S N 0.022 115.690 115.700 -0.053 0.000 2.536 200 S HA 0.504 4.973 4.470 -0.000 0.000 0.298 200 S C -2.199 172.371 174.600 -0.050 0.000 1.083 200 S CA -1.084 57.033 58.200 -0.137 0.000 0.995 200 S CB 1.901 64.975 63.200 -0.209 0.000 1.058 200 S HN 0.115 nan 8.310 nan 0.000 0.488 201 P HA -0.044 nan 4.420 nan 0.000 0.211 201 P C 1.192 178.477 177.300 -0.026 0.000 1.179 201 P CA 1.461 64.537 63.100 -0.039 0.000 0.910 201 P CB 0.053 31.722 31.700 -0.052 0.000 0.785 202 T N -0.956 113.581 114.554 -0.029 0.000 2.983 202 T HA 0.007 4.357 4.350 -0.000 0.000 0.250 202 T C 0.356 175.057 174.700 0.001 0.000 1.037 202 T CA 0.396 62.484 62.100 -0.020 0.000 1.142 202 T CB -0.715 68.133 68.868 -0.033 0.000 0.876 202 T HN 0.235 nan 8.240 nan 0.000 0.455 203 D N 3.130 123.542 120.400 0.020 0.000 2.350 203 D HA 0.182 4.821 4.640 -0.000 0.000 0.249 203 D C -2.739 173.607 176.300 0.077 0.000 1.119 203 D CA -1.739 52.293 54.000 0.053 0.000 0.886 203 D CB 1.009 41.862 40.800 0.089 0.000 1.195 203 D HN 0.158 nan 8.370 nan 0.000 0.437 204 P HA 0.078 nan 4.420 nan 0.000 0.282 204 P C 1.041 178.402 177.300 0.103 0.000 1.259 204 P CA -0.746 62.392 63.100 0.063 0.000 0.826 204 P CB 1.503 33.220 31.700 0.028 0.000 1.064 205 V N 1.675 121.642 119.914 0.089 0.000 2.469 205 V HA -0.167 3.953 4.120 -0.000 0.000 0.251 205 V C 2.267 178.460 176.094 0.164 0.000 1.064 205 V CA 2.857 65.233 62.300 0.128 0.000 1.066 205 V CB -1.386 30.422 31.823 -0.025 0.000 0.667 205 V HN 0.875 nan 8.190 nan 0.000 0.461 206 G N -1.441 107.419 108.800 0.101 0.000 2.986 206 G HA2 0.113 4.073 3.960 -0.000 0.000 0.213 206 G HA3 0.113 4.073 3.960 -0.000 0.000 0.213 206 G C 0.555 175.524 174.900 0.116 0.000 1.156 206 G CA 0.311 45.477 45.100 0.110 0.000 0.763 206 G HN 0.296 nan 8.290 nan 0.000 0.547 207 V N 1.421 121.390 119.914 0.091 0.000 2.872 207 V HA 0.327 4.446 4.120 -0.000 0.000 0.307 207 V C -0.101 176.141 176.094 0.246 0.000 1.072 207 V CA -0.794 61.541 62.300 0.059 0.000 1.148 207 V CB 0.354 32.202 31.823 0.042 0.000 0.954 207 V HN 0.107 nan 8.190 nan 0.000 0.490 208 F N 3.739 123.708 119.950 0.031 0.000 2.418 208 F HA 0.528 5.055 4.527 -0.000 0.000 0.341 208 F C 1.014 176.823 175.800 0.015 0.000 1.120 208 F CA -0.644 57.376 58.000 0.033 0.000 1.232 208 F CB 0.647 39.669 39.000 0.035 0.000 1.175 208 F HN 0.569 nan 8.300 nan 0.000 0.569 209 G N 2.388 111.305 108.800 0.196 0.000 2.384 209 G HA2 0.477 4.437 3.960 -0.000 0.000 0.316 209 G HA3 0.477 4.437 3.960 -0.000 0.000 0.316 209 G C -1.613 173.350 174.900 0.106 0.000 1.160 209 G CA -0.310 44.815 45.100 0.041 0.000 0.936 209 G HN 0.638 nan 8.290 nan 0.000 0.455 210 Y N -0.145 120.208 120.300 0.089 0.000 2.517 210 Y HA -0.261 4.289 4.550 -0.001 0.000 0.021 210 Y C 1.098 177.038 175.900 0.066 0.000 1.713 210 Y CA 0.255 58.391 58.100 0.060 0.000 1.412 210 Y CB -0.592 37.888 38.460 0.033 0.000 2.058 210 Y HN 0.999 nan 8.280 nan 0.000 0.255 211 S N 0.807 116.669 115.700 0.270 0.000 2.632 211 S HA 0.254 4.724 4.470 -0.000 0.000 0.267 211 S C 0.676 175.334 174.600 0.096 0.000 1.276 211 S CA -0.140 58.153 58.200 0.156 0.000 0.998 211 S CB 1.595 64.867 63.200 0.121 0.000 0.953 211 S HN 0.669 nan 8.310 nan 0.000 0.547 212 E N 0.442 120.675 120.200 0.055 0.000 2.204 212 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 212 E C 0.970 177.571 176.600 0.003 0.000 0.989 212 E CA 1.056 57.465 56.400 0.015 0.000 0.824 212 E CB -0.146 29.558 29.700 0.008 0.000 0.756 212 E HN 0.631 nan 8.360 nan 0.000 0.477 213 D N 1.036 121.444 120.400 0.013 0.000 2.117 213 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 213 D C 1.730 178.011 176.300 -0.032 0.000 0.987 213 D CA 1.039 55.038 54.000 -0.002 0.000 0.829 213 D CB 0.015 40.822 40.800 0.012 0.000 0.961 213 D HN 0.263 nan 8.370 nan 0.000 0.460 214 E N 0.385 120.559 120.200 -0.044 0.000 2.028 214 E HA -0.086 4.263 4.350 -0.000 0.000 0.191 214 E C 2.411 178.884 176.600 -0.211 0.000 0.988 214 E CA 0.450 56.757 56.400 -0.155 0.000 0.799 214 E CB 0.002 29.566 29.700 -0.228 0.000 0.755 214 E HN 0.250 nan 8.360 nan 0.000 0.447 215 I N 0.996 121.477 120.570 -0.149 0.000 2.118 215 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 215 I C 2.493 178.560 176.117 -0.083 0.000 1.070 215 I CA 1.376 62.606 61.300 -0.117 0.000 1.327 215 I CB -0.350 37.625 38.000 -0.042 0.000 1.034 215 I HN 0.070 nan 8.210 nan 0.000 0.405 216 R N 0.706 121.173 120.500 -0.055 0.000 2.096 216 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 216 R C 2.445 178.720 176.300 -0.042 0.000 1.127 216 R CA 1.436 57.515 56.100 -0.036 0.000 0.968 216 R CB -0.496 29.792 30.300 -0.020 0.000 0.861 216 R HN 0.403 nan 8.270 nan 0.000 0.440 217 A N 1.361 124.145 122.820 -0.060 0.000 1.902 217 A HA -0.141 4.178 4.320 -0.000 0.000 0.217 217 A C 2.161 179.703 177.584 -0.071 0.000 1.181 217 A CA 1.204 53.205 52.037 -0.060 0.000 0.623 217 A CB -0.433 18.526 19.000 -0.068 0.000 0.818 217 A HN 0.165 nan 8.150 nan 0.000 0.443 218 I N -0.472 120.035 120.570 -0.105 0.000 2.179 218 I HA -0.215 3.954 4.170 -0.000 0.000 0.242 218 I C 2.355 178.437 176.117 -0.059 0.000 1.088 218 I CA 1.179 62.417 61.300 -0.103 0.000 1.357 218 I CB -0.340 37.566 38.000 -0.156 0.000 1.051 218 I HN 0.152 nan 8.210 nan 0.000 0.409 219 V N 1.042 120.931 119.914 -0.042 0.000 2.332 219 V HA -0.319 3.800 4.120 -0.000 0.000 0.248 219 V C 2.712 178.805 176.094 -0.002 0.000 1.055 219 V CA 2.042 64.337 62.300 -0.009 0.000 1.038 219 V CB -1.127 30.699 31.823 0.005 0.000 0.651 219 V HN 0.510 nan 8.190 nan 0.000 0.450 220 A N -0.476 122.338 122.820 -0.011 0.000 1.902 220 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 220 A C 2.202 179.781 177.584 -0.009 0.000 1.181 220 A CA 1.671 53.705 52.037 -0.005 0.000 0.623 220 A CB -0.469 18.526 19.000 -0.009 0.000 0.818 220 A HN 0.499 nan 8.150 nan 0.000 0.443 221 E N 0.043 120.230 120.200 -0.021 0.000 2.085 221 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 221 E C 2.328 178.916 176.600 -0.020 0.000 0.994 221 E CA 1.424 57.810 56.400 -0.024 0.000 0.801 221 E CB -0.699 28.980 29.700 -0.036 0.000 0.743 221 E HN 0.583 nan 8.360 nan 0.000 0.453 222 A N 0.993 123.800 122.820 -0.021 0.000 1.898 222 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 222 A C 2.114 179.703 177.584 0.008 0.000 1.181 222 A CA 1.443 53.468 52.037 -0.020 0.000 0.620 222 A CB -0.464 18.516 19.000 -0.033 0.000 0.819 222 A HN 0.226 nan 8.150 nan 0.000 0.442 223 Q N -0.812 119.002 119.800 0.022 0.000 2.230 223 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 223 Q C 2.015 178.030 176.000 0.025 0.000 0.963 223 Q CA 0.827 56.652 55.803 0.037 0.000 0.866 223 Q CB -0.333 28.429 28.738 0.040 0.000 0.931 223 Q HN 0.687 nan 8.270 nan 0.000 0.452 224 G N 0.747 109.553 108.800 0.011 0.000 2.509 224 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 224 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 224 G C 1.349 176.253 174.900 0.006 0.000 1.124 224 G CA 0.255 45.359 45.100 0.007 0.000 0.776 224 G HN 0.151 nan 8.290 nan 0.000 0.547 225 R N -0.572 119.932 120.500 0.007 0.000 2.509 225 R HA 0.344 4.683 4.340 -0.000 0.000 0.300 225 R C 1.443 177.756 176.300 0.021 0.000 0.985 225 R CA 0.681 56.784 56.100 0.005 0.000 1.092 225 R CB -0.006 30.289 30.300 -0.010 0.000 1.237 225 R HN 0.236 nan 8.270 nan 0.000 0.546 226 G N 0.201 109.022 108.800 0.035 0.000 2.143 226 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.248 226 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.248 226 G C 0.092 175.044 174.900 0.086 0.000 0.991 226 G CA 0.786 45.920 45.100 0.056 0.000 0.689 226 G HN 0.455 nan 8.290 nan 0.000 0.522 227 T N -1.361 113.240 114.554 0.078 0.000 2.633 227 T HA 0.813 5.163 4.350 -0.000 0.000 0.262 227 T C -0.386 174.404 174.700 0.150 0.000 0.920 227 T CA 0.290 62.457 62.100 0.113 0.000 1.062 227 T CB 1.256 70.126 68.868 0.002 0.000 1.390 227 T HN 1.219 nan 8.240 nan 0.000 0.549 228 Y N -1.737 118.573 120.300 0.017 0.000 2.728 228 Y HA 0.824 5.373 4.550 -0.000 0.000 0.330 228 Y C -1.687 174.216 175.900 0.006 0.000 1.234 228 Y CA -1.248 56.859 58.100 0.012 0.000 1.070 228 Y CB 0.644 39.114 38.460 0.016 0.000 1.300 228 Y HN 0.333 nan 8.280 nan 0.000 0.467 229 V N 2.827 122.822 119.914 0.135 0.000 2.495 229 V HA 0.552 4.671 4.120 -0.000 0.000 0.298 229 V C -0.436 175.769 176.094 0.185 0.000 1.031 229 V CA -0.809 61.512 62.300 0.035 0.000 0.871 229 V CB 1.347 33.192 31.823 0.037 0.000 0.988 229 V HN 0.798 nan 8.190 nan 0.000 0.432 230 L N 2.601 123.875 121.223 0.084 0.000 2.334 230 L HA 1.095 5.435 4.340 -0.000 0.000 0.273 230 L C -0.234 176.681 176.870 0.074 0.000 1.013 230 L CA -0.567 54.349 54.840 0.127 0.000 0.816 230 L CB 1.917 44.047 42.059 0.118 0.000 1.278 230 L HN 0.639 nan 8.230 nan 0.000 0.431 231 A N 0.727 123.590 122.820 0.072 0.000 2.381 231 A HA 0.468 4.788 4.320 -0.000 0.000 0.299 231 A C -1.170 176.456 177.584 0.069 0.000 1.049 231 A CA -0.538 51.545 52.037 0.077 0.000 0.715 231 A CB 0.644 19.677 19.000 0.056 0.000 1.222 231 A HN 0.997 nan 8.150 nan 0.000 0.428 232 H N 1.974 121.035 119.070 -0.015 0.000 2.819 232 H HA 0.599 5.155 4.556 -0.000 0.000 0.303 232 H C -0.135 175.104 175.328 -0.149 0.000 1.058 232 H CA 0.694 56.697 56.048 -0.074 0.000 1.471 232 H CB 0.586 30.335 29.762 -0.021 0.000 1.480 232 H HN 0.968 nan 8.280 nan 0.000 0.517 233 A N 4.963 127.516 122.820 -0.445 0.000 2.513 233 A HA 0.288 4.607 4.320 -0.000 0.000 0.296 233 A C -1.451 175.902 177.584 -0.385 0.000 1.052 233 A CA -0.730 51.114 52.037 -0.321 0.000 0.714 233 A CB 0.441 19.369 19.000 -0.121 0.000 1.279 233 A HN 0.719 nan 8.150 nan 0.000 0.397 234 Y N 1.090 121.323 120.300 -0.111 0.000 2.422 234 Y HA 0.148 4.697 4.550 -0.001 0.000 0.291 234 Y C 2.033 177.908 175.900 -0.043 0.000 1.144 234 Y CA 1.360 59.404 58.100 -0.094 0.000 1.208 234 Y CB -0.022 38.368 38.460 -0.118 0.000 1.195 234 Y HN 0.735 nan 8.280 nan 0.000 0.535 235 T N -1.673 112.976 114.554 0.157 0.000 2.918 235 T HA 0.215 4.565 4.350 -0.000 0.000 0.283 235 T C -1.978 172.763 174.700 0.069 0.000 1.001 235 T CA -2.051 60.115 62.100 0.111 0.000 1.041 235 T CB 1.880 70.832 68.868 0.140 0.000 1.028 235 T HN -0.188 nan 8.240 nan 0.000 0.511 236 P HA -0.145 nan 4.420 nan 0.000 0.215 236 P C 1.769 179.081 177.300 0.021 0.000 1.163 236 P CA 1.928 65.045 63.100 0.029 0.000 0.894 236 P CB -0.361 31.359 31.700 0.034 0.000 0.791 237 A N -0.209 122.655 122.820 0.073 0.000 1.892 237 A HA -0.214 4.105 4.320 -0.000 0.000 0.218 237 A C 2.359 179.857 177.584 -0.143 0.000 1.188 237 A CA 2.665 54.746 52.037 0.073 0.000 0.631 237 A CB -1.677 17.522 19.000 0.331 0.000 0.822 237 A HN 0.230 nan 8.150 nan 0.000 0.447 238 A N -0.418 122.343 122.820 -0.099 0.000 1.897 238 A HA 0.023 4.342 4.320 -0.000 0.000 0.215 238 A C 2.128 179.610 177.584 -0.171 0.000 1.181 238 A CA 1.325 53.212 52.037 -0.250 0.000 0.620 238 A CB -0.563 18.423 19.000 -0.023 0.000 0.821 238 A HN 0.493 nan 8.150 nan 0.000 0.443 239 I N -0.060 120.456 120.570 -0.090 0.000 2.163 239 I HA -0.307 3.862 4.170 -0.000 0.000 0.243 239 I C 2.993 179.043 176.117 -0.112 0.000 1.085 239 I CA 1.172 62.421 61.300 -0.084 0.000 1.347 239 I CB -0.396 37.574 38.000 -0.050 0.000 1.044 239 I HN 0.358 nan 8.210 nan 0.000 0.408 240 A N 1.778 124.532 122.820 -0.111 0.000 1.877 240 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 240 A C 2.410 179.902 177.584 -0.154 0.000 1.186 240 A CA 2.008 53.973 52.037 -0.121 0.000 0.620 240 A CB -0.688 18.265 19.000 -0.078 0.000 0.822 240 A HN 0.517 nan 8.150 nan 0.000 0.443 241 R N -0.525 119.863 120.500 -0.186 0.000 2.092 241 R HA 0.112 4.451 4.340 -0.000 0.000 0.231 241 R C 2.246 178.455 176.300 -0.153 0.000 1.119 241 R CA 1.309 57.298 56.100 -0.186 0.000 0.970 241 R CB -0.768 29.360 30.300 -0.287 0.000 0.864 241 R HN 0.308 nan 8.270 nan 0.000 0.440 242 A N 1.703 124.433 122.820 -0.151 0.000 1.883 242 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 242 A C 2.453 179.975 177.584 -0.104 0.000 1.186 242 A CA 1.800 53.777 52.037 -0.100 0.000 0.624 242 A CB -0.669 18.285 19.000 -0.077 0.000 0.822 242 A HN 0.175 nan 8.150 nan 0.000 0.444 243 V N 0.024 119.846 119.914 -0.153 0.000 2.427 243 V HA -0.220 3.899 4.120 -0.000 0.000 0.248 243 V C 2.532 178.453 176.094 -0.288 0.000 1.051 243 V CA 2.072 64.236 62.300 -0.227 0.000 1.048 243 V CB -0.779 30.853 31.823 -0.318 0.000 0.666 243 V HN 0.524 nan 8.190 nan 0.000 0.456 244 R N -1.158 119.199 120.500 -0.239 0.000 2.235 244 R HA -0.053 4.287 4.340 -0.000 0.000 0.213 244 R C 1.981 178.251 176.300 -0.050 0.000 1.059 244 R CA 1.232 57.251 56.100 -0.137 0.000 0.997 244 R CB -0.452 29.800 30.300 -0.080 0.000 0.884 244 R HN 0.449 nan 8.270 nan 0.000 0.462 245 C N -0.702 118.562 119.300 -0.061 0.000 2.618 245 C HA 0.258 4.718 4.460 -0.000 0.000 0.264 245 C C 1.582 176.565 174.990 -0.013 0.000 1.334 245 C CA 0.584 59.584 59.018 -0.030 0.000 1.731 245 C CB -0.135 27.583 27.740 -0.038 0.000 1.852 245 C HN 0.795 nan 8.230 nan 0.000 0.566 246 G N -0.168 108.625 108.800 -0.012 0.000 2.192 246 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 246 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 246 G C 0.067 174.987 174.900 0.034 0.000 0.999 246 G CA 0.027 45.140 45.100 0.022 0.000 0.659 246 G HN 0.255 nan 8.290 nan 0.000 0.503 247 V N 1.163 121.087 119.914 0.016 0.000 2.599 247 V HA 0.210 4.330 4.120 -0.000 0.000 0.300 247 V C 1.821 177.955 176.094 0.068 0.000 1.034 247 V CA 1.398 63.726 62.300 0.047 0.000 1.115 247 V CB 1.290 33.127 31.823 0.023 0.000 0.934 247 V HN 0.515 nan 8.190 nan 0.000 0.485 248 R N 2.822 123.401 120.500 0.132 0.000 2.090 248 R HA 0.026 4.366 4.340 -0.000 0.000 0.219 248 R C 0.872 177.242 176.300 0.118 0.000 1.100 248 R CA 1.147 57.310 56.100 0.106 0.000 0.991 248 R CB 0.255 30.575 30.300 0.034 0.000 0.893 248 R HN 0.866 nan 8.270 nan 0.000 0.443 249 T N -1.107 113.526 114.554 0.132 0.000 2.863 249 T HA 0.512 4.862 4.350 -0.000 0.000 0.285 249 T C -0.246 174.500 174.700 0.077 0.000 1.009 249 T CA -0.964 61.203 62.100 0.112 0.000 0.989 249 T CB 1.707 70.613 68.868 0.063 0.000 1.004 249 T HN -0.094 nan 8.240 nan 0.000 0.455 250 I N 2.495 123.090 120.570 0.041 0.000 2.412 250 I HA 0.443 4.613 4.170 -0.000 0.000 0.296 250 I C -0.071 176.013 176.117 -0.056 0.000 0.987 250 I CA -0.810 60.483 61.300 -0.011 0.000 1.180 250 I CB 1.867 39.852 38.000 -0.026 0.000 1.340 250 I HN 0.741 nan 8.210 nan 0.000 0.455 251 E N 6.254 126.375 120.200 -0.132 0.000 2.151 251 E HA 0.371 4.721 4.350 -0.000 0.000 0.275 251 E C 0.087 176.409 176.600 -0.463 0.000 0.936 251 E CA -0.389 55.814 56.400 -0.328 0.000 0.777 251 E CB 1.471 30.983 29.700 -0.312 0.000 1.108 251 E HN 0.566 nan 8.360 nan 0.000 0.401 252 H N 2.157 121.159 119.070 -0.114 0.000 4.700 252 H HA -0.228 4.328 4.556 -0.001 0.000 0.063 252 H C 1.056 176.391 175.328 0.012 0.000 0.619 252 H CA 1.257 57.287 56.048 -0.030 0.000 0.921 252 H CB -1.390 28.314 29.762 -0.096 0.000 0.483 252 H HN 0.817 nan 8.280 nan 0.000 0.816 253 G N 2.082 110.947 108.800 0.107 0.000 2.225 253 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.267 253 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.267 253 G C 0.793 175.763 174.900 0.115 0.000 1.024 253 G CA 1.344 46.487 45.100 0.072 0.000 0.784 253 G HN 0.624 nan 8.290 nan 0.000 0.507 254 N N -0.185 118.642 118.700 0.211 0.000 2.069 254 N HA -0.055 4.684 4.740 -0.000 0.000 0.191 254 N C 1.914 177.438 175.510 0.022 0.000 1.031 254 N CA 1.560 54.659 53.050 0.083 0.000 0.852 254 N CB -0.185 38.262 38.487 -0.066 0.000 1.018 254 N HN 0.556 nan 8.380 nan 0.000 0.423 255 L N 0.542 121.787 121.223 0.037 0.000 2.728 255 L HA 0.308 4.648 4.340 -0.000 0.000 0.235 255 L C 0.413 177.299 176.870 0.026 0.000 1.197 255 L CA -0.438 54.411 54.840 0.014 0.000 0.992 255 L CB -0.183 41.878 42.059 0.003 0.000 1.263 255 L HN 0.215 nan 8.230 nan 0.000 0.484 256 I N 1.199 121.783 120.570 0.023 0.000 2.892 256 I HA -0.050 4.120 4.170 -0.000 0.000 0.287 256 I C -0.016 176.099 176.117 -0.002 0.000 1.205 256 I CA 0.063 61.368 61.300 0.008 0.000 1.409 256 I CB 0.649 38.647 38.000 -0.004 0.000 1.367 256 I HN 0.237 nan 8.210 nan 0.000 0.597 257 D N 4.165 124.564 120.400 -0.001 0.000 2.423 257 D HA 0.195 4.835 4.640 -0.000 0.000 0.235 257 D C 0.330 176.624 176.300 -0.010 0.000 1.011 257 D CA -0.604 53.396 54.000 0.000 0.000 0.963 257 D CB 0.917 41.727 40.800 0.015 0.000 1.349 257 D HN 0.470 nan 8.370 nan 0.000 0.508 258 D N 0.180 120.575 120.400 -0.008 0.000 2.157 258 D HA -0.267 4.373 4.640 -0.000 0.000 0.191 258 D C 1.316 177.613 176.300 -0.005 0.000 1.004 258 D CA 1.596 55.590 54.000 -0.010 0.000 0.854 258 D CB 0.178 40.978 40.800 0.002 0.000 0.936 258 D HN 0.746 nan 8.370 nan 0.000 0.446 259 E N 0.075 120.276 120.200 0.003 0.000 2.077 259 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 259 E C 1.745 178.347 176.600 0.003 0.000 0.989 259 E CA 1.298 57.701 56.400 0.005 0.000 0.800 259 E CB 0.176 29.882 29.700 0.010 0.000 0.746 259 E HN 0.163 nan 8.360 nan 0.000 0.452 260 T N 0.482 115.035 114.554 -0.002 0.000 2.896 260 T HA 0.029 4.379 4.350 -0.000 0.000 0.263 260 T C 1.885 176.576 174.700 -0.015 0.000 1.050 260 T CA 0.876 62.970 62.100 -0.010 0.000 1.140 260 T CB -0.172 68.689 68.868 -0.013 0.000 0.877 260 T HN 0.299 nan 8.240 nan 0.000 0.457 261 A N 2.195 125.005 122.820 -0.016 0.000 1.917 261 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 261 A C 2.395 179.970 177.584 -0.016 0.000 1.182 261 A CA 1.487 53.511 52.037 -0.022 0.000 0.633 261 A CB -0.537 18.446 19.000 -0.029 0.000 0.819 261 A HN 0.361 nan 8.150 nan 0.000 0.448 262 R N -1.364 119.131 120.500 -0.008 0.000 2.073 262 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 262 R C 2.197 178.507 176.300 0.016 0.000 1.134 262 R CA 1.558 57.658 56.100 -0.001 0.000 0.952 262 R CB -0.598 29.704 30.300 0.002 0.000 0.850 262 R HN 0.530 nan 8.270 nan 0.000 0.433 263 L N 0.805 122.045 121.223 0.028 0.000 2.046 263 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 263 L C 2.130 179.061 176.870 0.102 0.000 1.077 263 L CA 1.442 56.329 54.840 0.079 0.000 0.747 263 L CB -0.265 41.817 42.059 0.038 0.000 0.896 263 L HN -0.094 nan 8.230 nan 0.000 0.432 264 V N 0.220 120.140 119.914 0.011 0.000 2.255 264 V HA -0.363 3.757 4.120 -0.000 0.000 0.247 264 V C 2.824 178.914 176.094 -0.006 0.000 1.051 264 V CA 1.870 64.162 62.300 -0.013 0.000 1.018 264 V CB -1.467 30.333 31.823 -0.038 0.000 0.641 264 V HN 0.636 nan 8.190 nan 0.000 0.445 265 A N -0.505 122.303 122.820 -0.021 0.000 1.892 265 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 265 A C 2.341 179.903 177.584 -0.037 0.000 1.188 265 A CA 2.192 54.202 52.037 -0.046 0.000 0.631 265 A CB -0.586 18.391 19.000 -0.038 0.000 0.822 265 A HN 0.650 nan 8.150 nan 0.000 0.447 266 E N -1.312 118.889 120.200 0.002 0.000 2.204 266 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 266 E C 1.520 178.081 176.600 -0.065 0.000 0.989 266 E CA 1.133 57.516 56.400 -0.027 0.000 0.824 266 E CB -0.139 29.552 29.700 -0.015 0.000 0.756 266 E HN 0.802 nan 8.360 nan 0.000 0.477 267 H N -1.248 117.781 119.070 -0.068 0.000 2.548 267 H HA 0.163 4.718 4.556 -0.001 0.000 0.268 267 H C 1.134 176.407 175.328 -0.092 0.000 0.975 267 H CA 1.036 57.045 56.048 -0.065 0.000 1.195 267 H CB 0.799 30.529 29.762 -0.053 0.000 1.397 267 H HN 0.377 nan 8.280 nan 0.000 0.572 268 G N -0.338 108.438 108.800 -0.039 0.000 2.143 268 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.249 268 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.249 268 G C 0.461 175.196 174.900 -0.274 0.000 0.981 268 G CA 0.200 45.203 45.100 -0.162 0.000 0.665 268 G HN 0.675 nan 8.290 nan 0.000 0.528 269 A N -0.708 122.014 122.820 -0.164 0.000 2.313 269 A HA 0.770 5.089 4.320 -0.000 0.000 0.261 269 A C -0.104 177.318 177.584 -0.271 0.000 1.090 269 A CA -0.159 51.796 52.037 -0.137 0.000 0.807 269 A CB 0.510 19.492 19.000 -0.031 0.000 1.055 269 A HN 0.745 nan 8.150 nan 0.000 0.492 270 Y N -0.557 119.711 120.300 -0.054 0.000 2.446 270 Y HA 0.531 5.081 4.550 -0.001 0.000 0.338 270 Y C 0.141 176.015 175.900 -0.044 0.000 1.055 270 Y CA -0.916 57.153 58.100 -0.051 0.000 1.101 270 Y CB 1.890 40.308 38.460 -0.071 0.000 1.221 270 Y HN 0.378 nan 8.280 nan 0.000 0.460 271 V N 2.635 122.621 119.914 0.120 0.000 2.667 271 V HA 0.498 4.618 4.120 -0.000 0.000 0.308 271 V C -0.745 175.374 176.094 0.041 0.000 1.048 271 V CA -0.958 61.373 62.300 0.052 0.000 0.928 271 V CB 1.865 33.698 31.823 0.016 0.000 1.004 271 V HN 0.524 nan 8.190 nan 0.000 0.444 272 V N 5.387 125.296 119.914 -0.009 0.000 2.340 272 V HA 0.340 4.460 4.120 -0.000 0.000 0.277 272 V C -2.550 173.490 176.094 -0.090 0.000 1.017 272 V CA -1.700 60.575 62.300 -0.041 0.000 0.820 272 V CB 1.382 33.181 31.823 -0.040 0.000 1.028 272 V HN 0.738 nan 8.190 nan 0.000 0.436 273 P HA 0.292 nan 4.420 nan 0.000 0.275 273 P C 0.305 177.549 177.300 -0.092 0.000 1.228 273 P CA 0.033 63.123 63.100 -0.017 0.000 0.786 273 P CB 0.599 32.294 31.700 -0.007 0.000 0.927 274 T N -1.379 113.179 114.554 0.007 0.000 3.624 274 T HA 0.285 4.635 4.350 -0.000 0.000 0.244 274 T C 1.005 175.582 174.700 -0.205 0.000 1.063 274 T CA -0.426 61.580 62.100 -0.158 0.000 1.252 274 T CB -1.108 67.651 68.868 -0.181 0.000 1.021 274 T HN 0.056 nan 8.240 nan 0.000 0.590 275 L N 0.175 121.355 121.223 -0.071 0.000 2.042 275 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 275 L C 2.757 179.587 176.870 -0.067 0.000 1.076 275 L CA 1.036 55.910 54.840 0.057 0.000 0.749 275 L CB -0.743 41.362 42.059 0.076 0.000 0.893 275 L HN 0.421 nan 8.230 nan 0.000 0.432 276 V N -0.588 119.234 119.914 -0.154 0.000 2.469 276 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 276 V C 2.612 178.597 176.094 -0.180 0.000 1.064 276 V CA 2.603 64.825 62.300 -0.129 0.000 1.066 276 V CB -0.183 31.558 31.823 -0.136 0.000 0.667 276 V HN 0.593 nan 8.190 nan 0.000 0.461 277 T N -1.164 113.186 114.554 -0.340 0.000 2.821 277 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 277 T C 1.650 176.138 174.700 -0.353 0.000 1.046 277 T CA 2.076 63.953 62.100 -0.372 0.000 1.139 277 T CB -0.322 68.247 68.868 -0.499 0.000 0.871 277 T HN 0.690 nan 8.240 nan 0.000 0.454 278 Y N 1.653 121.877 120.300 -0.127 0.000 2.200 278 Y HA 0.029 4.578 4.550 -0.001 0.000 0.290 278 Y C 2.448 178.023 175.900 -0.542 0.000 1.137 278 Y CA 0.742 58.672 58.100 -0.284 0.000 1.163 278 Y CB -0.888 37.432 38.460 -0.234 0.000 0.988 278 Y HN 0.246 nan 8.280 nan 0.000 0.518 279 D N -0.187 120.055 120.400 -0.264 0.000 2.182 279 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 279 D C 2.148 178.395 176.300 -0.087 0.000 0.986 279 D CA 1.422 55.315 54.000 -0.178 0.000 0.847 279 D CB -0.327 40.490 40.800 0.028 0.000 0.942 279 D HN 0.371 nan 8.370 nan 0.000 0.467 280 A N -0.073 122.717 122.820 -0.051 0.000 1.935 280 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 280 A C 2.238 179.855 177.584 0.055 0.000 1.178 280 A CA 0.253 52.313 52.037 0.038 0.000 0.640 280 A CB -0.514 18.537 19.000 0.086 0.000 0.825 280 A HN 0.160 nan 8.150 nan 0.000 0.447 281 L N -0.462 120.785 121.223 0.040 0.000 2.079 281 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 281 L C 3.043 179.887 176.870 -0.044 0.000 1.081 281 L CA 1.166 56.029 54.840 0.037 0.000 0.752 281 L CB -0.460 41.645 42.059 0.077 0.000 0.896 281 L HN 0.449 nan 8.230 nan 0.000 0.433 282 A N -0.825 121.958 122.820 -0.062 0.000 1.897 282 A HA -0.142 4.177 4.320 -0.000 0.000 0.215 282 A C 2.485 180.057 177.584 -0.020 0.000 1.181 282 A CA 1.866 53.885 52.037 -0.030 0.000 0.620 282 A CB -0.456 18.548 19.000 0.007 0.000 0.821 282 A HN 0.376 nan 8.150 nan 0.000 0.443 283 S N -0.158 115.535 115.700 -0.011 0.000 2.357 283 S HA -0.098 4.372 4.470 -0.000 0.000 0.221 283 S C 1.503 176.088 174.600 -0.024 0.000 1.031 283 S CA 1.386 59.588 58.200 0.003 0.000 0.982 283 S CB -0.146 63.074 63.200 0.033 0.000 0.853 283 S HN 0.892 nan 8.310 nan 0.000 0.458 284 E N -0.085 120.091 120.200 -0.040 0.000 2.743 284 E HA 0.272 4.622 4.350 -0.000 0.000 0.222 284 E C 1.508 177.949 176.600 -0.265 0.000 0.959 284 E CA 0.312 56.673 56.400 -0.065 0.000 1.198 284 E CB -0.273 29.515 29.700 0.147 0.000 1.100 284 E HN 0.306 nan 8.360 nan 0.000 0.518 285 G N 2.219 110.797 108.800 -0.371 0.000 2.446 285 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 285 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 285 G C 1.412 175.995 174.900 -0.529 0.000 1.168 285 G CA 1.138 45.821 45.100 -0.695 0.000 0.771 285 G HN 0.370 nan 8.290 nan 0.000 0.551 286 E N 0.327 120.354 120.200 -0.289 0.000 2.107 286 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 286 E C 2.332 178.805 176.600 -0.211 0.000 0.982 286 E CA 1.029 57.309 56.400 -0.200 0.000 0.809 286 E CB -0.148 29.472 29.700 -0.134 0.000 0.756 286 E HN 0.479 nan 8.360 nan 0.000 0.459 287 K N -0.380 119.854 120.400 -0.276 0.000 2.103 287 K HA -0.176 4.143 4.320 -0.000 0.000 0.207 287 K C 0.953 177.306 176.600 -0.412 0.000 1.048 287 K CA 1.388 57.454 56.287 -0.368 0.000 0.930 287 K CB -0.100 32.095 32.500 -0.508 0.000 0.716 287 K HN 0.173 nan 8.250 nan 0.000 0.444 288 Y N -0.376 119.816 120.300 -0.179 0.000 2.493 288 Y HA 0.277 4.827 4.550 -0.001 0.000 0.275 288 Y C 0.815 176.702 175.900 -0.022 0.000 1.183 288 Y CA 0.154 58.216 58.100 -0.064 0.000 1.258 288 Y CB 1.128 39.624 38.460 0.059 0.000 1.108 288 Y HN 0.311 nan 8.280 nan 0.000 0.521 289 G N 0.686 109.485 108.800 -0.001 0.000 2.215 289 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.198 289 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.198 289 G C -0.579 174.343 174.900 0.037 0.000 1.047 289 G CA -0.443 44.675 45.100 0.030 0.000 0.747 289 G HN 0.200 nan 8.290 nan 0.000 0.495 290 L N 1.384 122.574 121.223 -0.054 0.000 2.319 290 L HA 0.636 4.975 4.340 -0.000 0.000 0.280 290 L C -1.646 175.217 176.870 -0.012 0.000 1.099 290 L CA -1.855 52.981 54.840 -0.005 0.000 0.828 290 L CB 0.452 42.460 42.059 -0.086 0.000 1.150 290 L HN -0.021 nan 8.230 nan 0.000 0.442 291 P HA 0.053 nan 4.420 nan 0.000 0.265 291 P C -2.141 175.155 177.300 -0.008 0.000 1.187 291 P CA -0.819 62.282 63.100 0.001 0.000 0.766 291 P CB 0.036 31.740 31.700 0.005 0.000 0.820 292 P HA -0.175 nan 4.420 nan 0.000 0.221 292 P C 1.102 178.397 177.300 -0.010 0.000 1.150 292 P CA 1.363 64.454 63.100 -0.016 0.000 0.800 292 P CB -0.006 31.683 31.700 -0.017 0.000 0.787 293 E N 0.253 120.449 120.200 -0.006 0.000 2.204 293 E HA -0.077 4.272 4.350 -0.000 0.000 0.194 293 E C 1.553 178.157 176.600 0.006 0.000 0.989 293 E CA 1.157 57.555 56.400 -0.003 0.000 0.824 293 E CB -0.955 28.741 29.700 -0.006 0.000 0.756 293 E HN 0.183 nan 8.360 nan 0.000 0.477 294 S N 0.803 116.509 115.700 0.011 0.000 2.458 294 S HA 0.157 4.626 4.470 -0.000 0.000 0.223 294 S C 2.070 176.684 174.600 0.023 0.000 1.019 294 S CA 0.115 58.332 58.200 0.028 0.000 0.937 294 S CB -0.116 63.108 63.200 0.039 0.000 0.788 294 S HN 0.175 nan 8.310 nan 0.000 0.511 295 I N 2.112 122.685 120.570 0.005 0.000 2.264 295 I HA -0.212 3.957 4.170 -0.000 0.000 0.248 295 I C 2.565 178.680 176.117 -0.003 0.000 1.111 295 I CA 1.164 62.460 61.300 -0.007 0.000 1.382 295 I CB -0.350 37.636 38.000 -0.024 0.000 1.060 295 I HN 0.271 nan 8.210 nan 0.000 0.418 296 A N 0.151 122.969 122.820 -0.004 0.000 2.121 296 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 296 A C 2.185 179.765 177.584 -0.007 0.000 1.154 296 A CA 1.241 53.275 52.037 -0.006 0.000 0.679 296 A CB -0.303 18.693 19.000 -0.008 0.000 0.795 296 A HN 0.352 nan 8.150 nan 0.000 0.458 297 K N -0.688 119.712 120.400 0.000 0.000 2.352 297 K HA 0.256 4.576 4.320 -0.000 0.000 0.194 297 K C 1.378 177.958 176.600 -0.032 0.000 1.038 297 K CA 0.174 56.456 56.287 -0.008 0.000 1.023 297 K CB -0.015 32.497 32.500 0.021 0.000 0.840 297 K HN 0.504 nan 8.250 nan 0.000 0.519 298 I N 1.342 121.906 120.570 -0.009 0.000 2.127 298 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 298 I C 2.465 178.566 176.117 -0.026 0.000 1.075 298 I CA 1.424 62.719 61.300 -0.009 0.000 1.334 298 I CB -0.502 37.514 38.000 0.027 0.000 1.040 298 I HN 0.091 nan 8.210 nan 0.000 0.405 299 A N 0.574 123.392 122.820 -0.004 0.000 2.024 299 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 299 A C 1.860 179.402 177.584 -0.071 0.000 1.164 299 A CA 2.073 54.105 52.037 -0.008 0.000 0.643 299 A CB -0.664 18.329 19.000 -0.013 0.000 0.806 299 A HN 0.409 nan 8.150 nan 0.000 0.451 300 D N -0.426 119.911 120.400 -0.104 0.000 2.116 300 D HA -0.153 4.486 4.640 -0.000 0.000 0.193 300 D C 2.026 178.195 176.300 -0.218 0.000 0.998 300 D CA 2.301 56.214 54.000 -0.146 0.000 0.836 300 D CB -0.302 40.405 40.800 -0.155 0.000 0.951 300 D HN 0.599 nan 8.370 nan 0.000 0.449 301 V N -2.943 116.776 119.914 -0.325 0.000 3.570 301 V HA 0.111 4.231 4.120 -0.000 0.000 0.257 301 V C 2.128 178.001 176.094 -0.369 0.000 1.272 301 V CA 0.502 62.519 62.300 -0.471 0.000 1.079 301 V CB -0.148 31.112 31.823 -0.938 0.000 0.829 301 V HN 0.198 nan 8.190 nan 0.000 0.454 302 H N 1.817 120.662 119.070 -0.374 0.000 2.319 302 H HA -0.103 4.452 4.556 -0.001 0.000 0.299 302 H C 2.106 177.364 175.328 -0.115 0.000 1.092 302 H CA 1.806 57.718 56.048 -0.226 0.000 1.302 302 H CB -0.211 29.501 29.762 -0.084 0.000 1.373 302 H HN 0.538 nan 8.280 nan 0.000 0.497 303 G N -0.665 108.006 108.800 -0.215 0.000 2.572 303 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.216 303 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.216 303 G C 1.611 176.447 174.900 -0.106 0.000 1.133 303 G CA 0.435 45.392 45.100 -0.239 0.000 0.791 303 G HN 0.543 nan 8.290 nan 0.000 0.538 304 A N 0.531 123.304 122.820 -0.078 0.000 2.132 304 A HA 0.401 4.720 4.320 -0.000 0.000 0.213 304 A C 2.503 180.101 177.584 0.024 0.000 1.154 304 A CA 1.310 53.339 52.037 -0.013 0.000 0.753 304 A CB -0.451 18.529 19.000 -0.033 0.000 0.826 304 A HN 0.357 nan 8.150 nan 0.000 0.469 305 G N 0.543 109.347 108.800 0.007 0.000 2.491 305 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 305 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 305 G C 1.434 176.378 174.900 0.073 0.000 1.180 305 G CA 1.360 46.493 45.100 0.055 0.000 0.774 305 G HN 0.384 nan 8.290 nan 0.000 0.562 306 L N 0.249 121.521 121.223 0.081 0.000 2.043 306 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 306 L C 2.541 179.470 176.870 0.098 0.000 1.075 306 L CA 2.491 57.380 54.840 0.082 0.000 0.752 306 L CB -0.820 41.283 42.059 0.073 0.000 0.891 306 L HN 0.476 nan 8.230 nan 0.000 0.432 307 H N -1.186 117.887 119.070 0.004 0.000 2.428 307 H HA -0.084 4.471 4.556 -0.001 0.000 0.296 307 H C 2.375 177.707 175.328 0.007 0.000 1.062 307 H CA 1.299 57.348 56.048 0.001 0.000 1.350 307 H CB -0.083 29.672 29.762 -0.011 0.000 1.403 307 H HN 0.519 nan 8.280 nan 0.000 0.533 308 S N 0.402 116.048 115.700 -0.090 0.000 2.387 308 S HA -0.170 4.300 4.470 -0.000 0.000 0.230 308 S C 2.118 176.647 174.600 -0.117 0.000 1.035 308 S CA 1.373 59.497 58.200 -0.127 0.000 1.014 308 S CB -0.519 62.665 63.200 -0.027 0.000 0.836 308 S HN 0.355 nan 8.310 nan 0.000 0.466 309 I N 2.593 123.128 120.570 -0.059 0.000 2.163 309 I HA -0.155 4.015 4.170 -0.000 0.000 0.243 309 I C 2.707 178.791 176.117 -0.055 0.000 1.085 309 I CA 1.519 62.801 61.300 -0.031 0.000 1.347 309 I CB -1.683 36.323 38.000 0.009 0.000 1.044 309 I HN 0.450 nan 8.210 nan 0.000 0.408 310 E N 0.928 121.077 120.200 -0.084 0.000 2.058 310 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 310 E C 2.368 178.895 176.600 -0.123 0.000 0.997 310 E CA 1.216 57.570 56.400 -0.077 0.000 0.801 310 E CB -0.174 29.505 29.700 -0.035 0.000 0.746 310 E HN 0.429 nan 8.360 nan 0.000 0.450 311 I N 0.561 120.983 120.570 -0.247 0.000 2.194 311 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 311 I C 2.486 178.546 176.117 -0.095 0.000 1.093 311 I CA 1.278 62.465 61.300 -0.189 0.000 1.355 311 I CB -0.188 37.665 38.000 -0.245 0.000 1.046 311 I HN 0.196 nan 8.210 nan 0.000 0.413 312 M N -0.198 119.354 119.600 -0.080 0.000 2.236 312 M HA -0.170 4.310 4.480 -0.000 0.000 0.266 312 M C 2.358 178.640 176.300 -0.030 0.000 1.070 312 M CA 1.385 56.658 55.300 -0.045 0.000 1.137 312 M CB -0.228 32.354 32.600 -0.031 0.000 1.378 312 M HN 0.100 nan 8.290 nan 0.000 0.426 313 K N 0.693 121.077 120.400 -0.026 0.000 2.001 313 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 313 K C 2.117 178.709 176.600 -0.014 0.000 1.048 313 K CA 1.429 57.709 56.287 -0.012 0.000 0.932 313 K CB -0.158 32.341 32.500 -0.002 0.000 0.715 313 K HN 0.125 nan 8.250 nan 0.000 0.437 314 R N 0.046 120.535 120.500 -0.019 0.000 2.133 314 R HA -0.171 4.169 4.340 -0.000 0.000 0.247 314 R C 1.903 178.193 176.300 -0.015 0.000 1.151 314 R CA 1.654 57.746 56.100 -0.014 0.000 0.971 314 R CB -0.290 30.001 30.300 -0.016 0.000 0.866 314 R HN 0.345 nan 8.270 nan 0.000 0.447 315 A N -0.635 122.172 122.820 -0.022 0.000 2.169 315 A HA 0.173 4.493 4.320 -0.000 0.000 0.212 315 A C 1.341 178.911 177.584 -0.023 0.000 1.153 315 A CA 0.847 52.871 52.037 -0.021 0.000 0.756 315 A CB -0.104 18.881 19.000 -0.025 0.000 0.813 315 A HN 0.570 nan 8.150 nan 0.000 0.471 316 G N -0.969 107.818 108.800 -0.022 0.000 2.182 316 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.248 316 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.248 316 G C 0.063 174.941 174.900 -0.037 0.000 1.042 316 G CA 0.102 45.188 45.100 -0.025 0.000 0.775 316 G HN 0.761 nan 8.290 nan 0.000 0.501 317 V N 0.493 120.387 119.914 -0.034 0.000 2.479 317 V HA 0.182 4.301 4.120 -0.000 0.000 0.281 317 V C 1.184 177.259 176.094 -0.032 0.000 1.031 317 V CA 0.032 62.306 62.300 -0.044 0.000 1.038 317 V CB 1.016 32.820 31.823 -0.032 0.000 0.981 317 V HN 0.405 nan 8.190 nan 0.000 0.478 318 K N 6.108 126.468 120.400 -0.067 0.000 2.402 318 K HA 0.177 4.497 4.320 -0.000 0.000 0.279 318 K C -0.186 176.467 176.600 0.088 0.000 1.082 318 K CA 0.629 56.910 56.287 -0.009 0.000 1.080 318 K CB 0.079 32.501 32.500 -0.130 0.000 0.899 318 K HN 0.582 nan 8.250 nan 0.000 0.469 319 M N 1.924 121.582 119.600 0.095 0.000 2.336 319 M HA 0.309 4.789 4.480 -0.000 0.000 0.342 319 M C 0.551 176.921 176.300 0.116 0.000 1.128 319 M CA -0.551 54.807 55.300 0.095 0.000 1.016 319 M CB 1.984 34.620 32.600 0.061 0.000 1.665 319 M HN 0.720 nan 8.290 nan 0.000 0.445 320 G N 1.452 110.311 108.800 0.098 0.000 2.601 320 G HA2 0.637 4.596 3.960 -0.000 0.000 0.317 320 G HA3 0.637 4.596 3.960 -0.000 0.000 0.317 320 G C -1.881 173.092 174.900 0.122 0.000 1.246 320 G CA -0.486 44.670 45.100 0.093 0.000 1.012 320 G HN 0.621 nan 8.290 nan 0.000 0.494 321 F N 0.312 120.256 119.950 -0.010 0.000 2.420 321 F HA 0.681 5.208 4.527 -0.000 0.000 0.342 321 F C 0.351 176.117 175.800 -0.058 0.000 1.113 321 F CA -0.127 57.855 58.000 -0.029 0.000 1.059 321 F CB 1.704 40.706 39.000 0.003 0.000 1.128 321 F HN 0.679 nan 8.300 nan 0.000 0.475 322 G N 2.303 110.769 108.800 -0.556 0.000 2.692 322 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 322 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 322 G C -0.517 174.041 174.900 -0.570 0.000 1.423 322 G CA -0.141 44.732 45.100 -0.378 0.000 0.843 322 G HN 0.752 nan 8.290 nan 0.000 0.486 323 T N -3.127 111.211 114.554 -0.361 0.000 3.176 323 T HA 0.231 4.581 4.350 -0.000 0.000 0.259 323 T C 0.699 175.248 174.700 -0.251 0.000 0.978 323 T CA 1.259 63.154 62.100 -0.342 0.000 1.050 323 T CB 0.081 68.768 68.868 -0.301 0.000 1.136 323 T HN 0.915 nan 8.240 nan 0.000 0.465 324 D N 0.903 121.219 120.400 -0.141 0.000 2.746 324 D HA -0.113 4.527 4.640 -0.000 0.000 0.236 324 D C -0.661 175.614 176.300 -0.042 0.000 1.129 324 D CA 0.230 54.222 54.000 -0.012 0.000 0.691 324 D CB -1.927 38.801 40.800 -0.119 0.000 1.077 324 D HN 0.622 nan 8.370 nan 0.000 0.432 325 L N -0.248 120.924 121.223 -0.085 0.000 2.399 325 L HA 0.602 4.941 4.340 -0.000 0.000 0.265 325 L C 0.757 177.530 176.870 -0.161 0.000 1.089 325 L CA -0.856 53.906 54.840 -0.131 0.000 0.802 325 L CB 1.069 43.039 42.059 -0.148 0.000 1.180 325 L HN 0.027 nan 8.230 nan 0.000 0.454 326 L N 0.484 121.515 121.223 -0.321 0.000 2.341 326 L HA 0.678 5.018 4.340 -0.000 0.000 0.267 326 L C 0.908 177.311 176.870 -0.779 0.000 1.009 326 L CA -0.572 53.965 54.840 -0.505 0.000 0.819 326 L CB 1.534 43.246 42.059 -0.579 0.000 1.323 326 L HN 0.823 nan 8.230 nan 0.000 0.425 327 G N 1.395 109.848 108.800 -0.578 0.000 2.672 327 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.324 327 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.324 327 G C 0.706 175.377 174.900 -0.381 0.000 1.286 327 G CA 1.002 45.809 45.100 -0.489 0.000 1.004 327 G HN 0.756 nan 8.290 nan 0.000 0.548 328 E N 0.717 120.702 120.200 -0.359 0.000 2.153 328 E HA 0.218 4.568 4.350 -0.000 0.000 0.194 328 E C 2.879 179.361 176.600 -0.196 0.000 0.988 328 E CA 1.931 58.148 56.400 -0.305 0.000 0.811 328 E CB -0.480 28.851 29.700 -0.614 0.000 0.746 328 E HN 0.846 nan 8.360 nan 0.000 0.466 329 A N 0.808 123.530 122.820 -0.164 0.000 2.067 329 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 329 A C 1.852 179.374 177.584 -0.103 0.000 1.158 329 A CA 0.839 52.846 52.037 -0.049 0.000 0.661 329 A CB -0.338 18.699 19.000 0.061 0.000 0.801 329 A HN 0.164 nan 8.150 nan 0.000 0.452 330 Q N -0.196 119.502 119.800 -0.170 0.000 2.325 330 Q HA -0.257 4.083 4.340 -0.000 0.000 0.211 330 Q C 2.058 178.004 176.000 -0.090 0.000 0.988 330 Q CA 1.558 57.276 55.803 -0.142 0.000 0.887 330 Q CB -0.368 28.277 28.738 -0.156 0.000 0.915 330 Q HN 0.842 nan 8.270 nan 0.000 0.440 331 R N 1.103 121.562 120.500 -0.067 0.000 2.285 331 R HA -0.097 4.243 4.340 -0.000 0.000 0.213 331 R C 1.380 177.685 176.300 0.008 0.000 1.068 331 R CA 0.932 57.017 56.100 -0.025 0.000 1.004 331 R CB -0.298 29.990 30.300 -0.019 0.000 0.873 331 R HN 0.307 nan 8.270 nan 0.000 0.467 332 L N 0.843 122.065 121.223 -0.002 0.000 2.592 332 L HA 0.109 4.448 4.340 -0.000 0.000 0.227 332 L C 2.533 179.419 176.870 0.027 0.000 1.127 332 L CA 0.115 54.970 54.840 0.024 0.000 0.884 332 L CB -0.252 41.818 42.059 0.018 0.000 1.065 332 L HN 0.220 nan 8.230 nan 0.000 0.457 333 Q N 0.503 120.302 119.800 -0.002 0.000 2.103 333 Q HA -0.317 4.023 4.340 -0.000 0.000 0.213 333 Q C 2.089 178.169 176.000 0.132 0.000 1.008 333 Q CA 2.658 58.449 55.803 -0.021 0.000 0.879 333 Q CB -0.047 28.625 28.738 -0.111 0.000 0.946 333 Q HN 0.455 nan 8.270 nan 0.000 0.413 334 S N 0.620 116.485 115.700 0.275 0.000 2.469 334 S HA -0.126 4.344 4.470 -0.000 0.000 0.238 334 S C 0.893 175.707 174.600 0.358 0.000 0.998 334 S CA 1.140 59.610 58.200 0.449 0.000 0.957 334 S CB -0.185 63.273 63.200 0.430 0.000 0.764 334 S HN 0.424 nan 8.310 nan 0.000 0.514 335 D N 1.172 121.690 120.400 0.197 0.000 2.350 335 D HA -0.048 4.591 4.640 -0.000 0.000 0.216 335 D C 1.741 178.108 176.300 0.112 0.000 0.968 335 D CA 0.490 54.583 54.000 0.155 0.000 0.894 335 D CB -0.111 40.746 40.800 0.096 0.000 0.909 335 D HN 0.383 nan 8.370 nan 0.000 0.520 336 E N -0.705 119.512 120.200 0.027 0.000 2.338 336 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 336 E C 1.135 177.738 176.600 0.006 0.000 1.007 336 E CA 0.738 57.065 56.400 -0.122 0.000 0.849 336 E CB -0.149 29.262 29.700 -0.483 0.000 0.774 336 E HN 0.222 nan 8.360 nan 0.000 0.506 337 F N 0.345 120.485 119.950 0.317 0.000 2.098 337 F HA 0.080 4.607 4.527 0.001 0.000 0.294 337 F C 2.512 178.405 175.800 0.154 0.000 1.107 337 F CA 1.233 59.394 58.000 0.268 0.000 1.234 337 F CB -0.669 38.455 39.000 0.206 0.000 1.002 337 F HN -0.005 nan 8.300 nan 0.000 0.472 338 R N 0.823 121.518 120.500 0.325 0.000 2.094 338 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 338 R C 2.238 178.627 176.300 0.148 0.000 1.137 338 R CA 2.134 58.352 56.100 0.197 0.000 0.943 338 R CB -0.733 29.664 30.300 0.162 0.000 0.850 338 R HN 0.290 nan 8.270 nan 0.000 0.433 339 I N 0.842 121.486 120.570 0.125 0.000 2.142 339 I HA -0.326 3.843 4.170 -0.000 0.000 0.240 339 I C 2.311 178.482 176.117 0.090 0.000 1.078 339 I CA 1.309 62.664 61.300 0.090 0.000 1.343 339 I CB -0.297 37.740 38.000 0.061 0.000 1.046 339 I HN 0.234 nan 8.210 nan 0.000 0.405 340 L N 0.620 121.900 121.223 0.096 0.000 2.191 340 L HA -0.177 4.162 4.340 -0.000 0.000 0.212 340 L C 2.759 179.699 176.870 0.116 0.000 1.103 340 L CA 1.050 55.950 54.840 0.099 0.000 0.769 340 L CB -0.749 41.380 42.059 0.117 0.000 0.908 340 L HN 0.246 nan 8.230 nan 0.000 0.438 341 A N 0.051 122.955 122.820 0.139 0.000 2.070 341 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 341 A C 2.083 179.719 177.584 0.087 0.000 1.159 341 A CA 1.373 53.482 52.037 0.120 0.000 0.656 341 A CB -0.382 18.696 19.000 0.129 0.000 0.800 341 A HN 0.497 nan 8.150 nan 0.000 0.453 342 E N -0.988 119.261 120.200 0.082 0.000 2.418 342 E HA -0.009 4.341 4.350 -0.000 0.000 0.197 342 E C 1.118 177.754 176.600 0.060 0.000 1.026 342 E CA 0.965 57.405 56.400 0.066 0.000 0.862 342 E CB 0.092 29.831 29.700 0.065 0.000 0.799 342 E HN 0.456 nan 8.360 nan 0.000 0.518 343 V N -0.039 119.914 119.914 0.064 0.000 3.368 343 V HA 0.128 4.248 4.120 -0.000 0.000 0.255 343 V C 0.327 176.453 176.094 0.055 0.000 1.466 343 V CA 0.099 62.433 62.300 0.057 0.000 1.095 343 V CB 0.662 32.519 31.823 0.057 0.000 0.899 343 V HN 0.056 nan 8.190 nan 0.000 0.440 344 L N 0.809 122.070 121.223 0.064 0.000 2.334 344 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 344 L C 0.486 177.395 176.870 0.065 0.000 1.018 344 L CA -0.410 54.468 54.840 0.064 0.000 0.811 344 L CB 1.888 43.994 42.059 0.078 0.000 1.271 344 L HN 0.280 nan 8.230 nan 0.000 0.443 345 S N 0.490 116.223 115.700 0.055 0.000 2.576 345 S HA 0.204 4.674 4.470 -0.000 0.000 0.276 345 S C -1.936 172.698 174.600 0.056 0.000 1.339 345 S CA -0.971 57.258 58.200 0.048 0.000 1.039 345 S CB 1.045 64.267 63.200 0.036 0.000 0.902 345 S HN 0.413 nan 8.310 nan 0.000 0.516 346 P HA -0.079 nan 4.420 nan 0.000 0.218 346 P C 1.326 178.643 177.300 0.029 0.000 1.146 346 P CA 1.771 64.895 63.100 0.041 0.000 0.813 346 P CB -0.163 31.545 31.700 0.014 0.000 0.778 347 A N -0.403 122.432 122.820 0.025 0.000 1.898 347 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 347 A C 2.178 179.781 177.584 0.032 0.000 1.183 347 A CA 1.250 53.296 52.037 0.016 0.000 0.622 347 A CB -1.016 17.992 19.000 0.013 0.000 0.824 347 A HN 0.115 nan 8.150 nan 0.000 0.444 348 E N -0.296 119.933 120.200 0.047 0.000 2.077 348 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 348 E C 2.072 178.729 176.600 0.095 0.000 0.989 348 E CA 1.650 58.086 56.400 0.060 0.000 0.800 348 E CB -0.287 29.448 29.700 0.058 0.000 0.746 348 E HN 0.585 nan 8.360 nan 0.000 0.452 349 V N -0.500 119.491 119.914 0.130 0.000 2.548 349 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 349 V C 1.904 178.139 176.094 0.235 0.000 1.055 349 V CA 1.203 63.636 62.300 0.222 0.000 1.065 349 V CB -0.229 31.775 31.823 0.302 0.000 0.681 349 V HN 0.097 nan 8.190 nan 0.000 0.462 350 I N 1.651 122.293 120.570 0.120 0.000 2.353 350 I HA 0.028 4.197 4.170 -0.000 0.000 0.248 350 I C 2.822 178.958 176.117 0.032 0.000 1.119 350 I CA 1.630 62.955 61.300 0.041 0.000 1.417 350 I CB -0.904 37.062 38.000 -0.057 0.000 1.078 350 I HN 0.341 nan 8.210 nan 0.000 0.421 351 A N -0.744 122.099 122.820 0.037 0.000 1.940 351 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 351 A C 2.520 180.137 177.584 0.055 0.000 1.176 351 A CA 2.164 54.215 52.037 0.025 0.000 0.631 351 A CB -0.926 18.087 19.000 0.023 0.000 0.814 351 A HN 0.373 nan 8.150 nan 0.000 0.446 352 S N -0.627 115.139 115.700 0.110 0.000 2.353 352 S HA -0.060 4.410 4.470 -0.000 0.000 0.222 352 S C 1.940 176.635 174.600 0.157 0.000 1.035 352 S CA 1.307 59.603 58.200 0.161 0.000 1.025 352 S CB -0.325 63.028 63.200 0.256 0.000 0.902 352 S HN 0.816 nan 8.310 nan 0.000 0.440 353 A N 0.363 123.255 122.820 0.119 0.000 2.302 353 A HA 0.273 4.593 4.320 -0.000 0.000 0.219 353 A C 1.448 179.013 177.584 -0.032 0.000 1.243 353 A CA 0.990 53.019 52.037 -0.013 0.000 0.856 353 A CB -0.402 18.452 19.000 -0.243 0.000 0.893 353 A HN 0.639 nan 8.150 nan 0.000 0.491 354 T N -2.758 111.789 114.554 -0.012 0.000 3.236 354 T HA 0.142 4.492 4.350 -0.000 0.000 0.146 354 T C 1.684 176.363 174.700 -0.034 0.000 0.898 354 T CA 0.579 62.655 62.100 -0.041 0.000 0.882 354 T CB -0.885 67.946 68.868 -0.061 0.000 1.609 354 T HN 0.369 nan 8.240 nan 0.000 0.316 355 I N 1.552 122.103 120.570 -0.031 0.000 2.394 355 I HA 0.054 4.223 4.170 -0.000 0.000 0.251 355 I C 2.303 178.410 176.117 -0.017 0.000 1.136 355 I CA 0.841 62.123 61.300 -0.030 0.000 1.425 355 I CB -0.846 37.133 38.000 -0.036 0.000 1.079 355 I HN 0.167 nan 8.210 nan 0.000 0.425 356 V N 1.206 121.124 119.914 0.006 0.000 2.270 356 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 356 V C 2.776 178.846 176.094 -0.040 0.000 1.043 356 V CA 2.269 64.587 62.300 0.030 0.000 1.014 356 V CB -0.830 31.038 31.823 0.075 0.000 0.645 356 V HN 0.446 nan 8.190 nan 0.000 0.447 357 S N 0.346 116.025 115.700 -0.036 0.000 2.370 357 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 357 S C 2.215 176.720 174.600 -0.158 0.000 1.033 357 S CA 1.493 59.640 58.200 -0.089 0.000 1.011 357 S CB -0.551 62.638 63.200 -0.018 0.000 0.852 357 S HN 0.649 nan 8.310 nan 0.000 0.457 358 A N 1.081 123.831 122.820 -0.116 0.000 1.972 358 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 358 A C 2.021 179.516 177.584 -0.147 0.000 1.169 358 A CA 1.551 53.513 52.037 -0.125 0.000 0.635 358 A CB -0.488 18.472 19.000 -0.066 0.000 0.810 358 A HN 0.560 nan 8.150 nan 0.000 0.446 359 E N -0.355 119.762 120.200 -0.138 0.000 2.047 359 E HA -0.117 4.232 4.350 -0.000 0.000 0.191 359 E C 1.905 178.312 176.600 -0.323 0.000 0.987 359 E CA 1.259 57.576 56.400 -0.139 0.000 0.799 359 E CB -0.122 29.563 29.700 -0.024 0.000 0.752 359 E HN 0.343 nan 8.360 nan 0.000 0.449 360 V N 1.329 120.920 119.914 -0.539 0.000 2.453 360 V HA -0.260 3.860 4.120 -0.000 0.000 0.252 360 V C 2.092 177.899 176.094 -0.478 0.000 1.068 360 V CA 1.434 63.287 62.300 -0.746 0.000 1.070 360 V CB -0.361 31.080 31.823 -0.636 0.000 0.664 360 V HN 0.323 nan 8.190 nan 0.000 0.461 361 L N -0.092 120.922 121.223 -0.349 0.000 2.592 361 L HA 0.353 4.692 4.340 -0.000 0.000 0.227 361 L C 1.614 178.385 176.870 -0.166 0.000 1.127 361 L CA 0.670 55.310 54.840 -0.334 0.000 0.884 361 L CB -0.362 41.319 42.059 -0.631 0.000 1.065 361 L HN 0.496 nan 8.230 nan 0.000 0.457 362 G N 0.608 109.329 108.800 -0.132 0.000 2.221 362 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.265 362 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.265 362 G C 0.436 175.340 174.900 0.006 0.000 1.041 362 G CA 0.166 45.246 45.100 -0.034 0.000 0.807 362 G HN 0.222 nan 8.290 nan 0.000 0.502 363 M N 0.740 120.323 119.600 -0.028 0.000 2.785 363 M HA 0.144 4.624 4.480 -0.000 0.000 0.374 363 M C 0.882 177.195 176.300 0.021 0.000 1.221 363 M CA -0.125 55.191 55.300 0.027 0.000 0.912 363 M CB 0.320 32.936 32.600 0.026 0.000 1.355 363 M HN 0.546 nan 8.290 nan 0.000 0.513 364 Q N 0.912 120.715 119.800 0.004 0.000 2.263 364 Q HA -0.001 4.338 4.340 -0.000 0.000 0.289 364 Q C -0.204 175.808 176.000 0.020 0.000 1.061 364 Q CA 0.732 56.538 55.803 0.004 0.000 0.927 364 Q CB 0.669 29.408 28.738 0.002 0.000 1.154 364 Q HN 0.411 nan 8.270 nan 0.000 0.378 365 D N 1.441 121.851 120.400 0.017 0.000 2.748 365 D HA -0.166 4.474 4.640 -0.000 0.000 0.189 365 D C 0.465 176.794 176.300 0.048 0.000 0.982 365 D CA 1.717 55.729 54.000 0.021 0.000 1.017 365 D CB -0.463 40.346 40.800 0.015 0.000 1.076 365 D HN 0.662 nan 8.370 nan 0.000 0.446 366 K N -0.259 120.189 120.400 0.080 0.000 2.335 366 K HA 0.273 4.592 4.320 -0.000 0.000 0.195 366 K C 0.942 177.676 176.600 0.224 0.000 1.058 366 K CA 0.573 56.952 56.287 0.154 0.000 0.988 366 K CB 0.961 33.584 32.500 0.205 0.000 0.880 366 K HN 0.099 nan 8.250 nan 0.000 0.513 367 L N -2.312 118.987 121.223 0.126 0.000 2.397 367 L HA 0.390 4.730 4.340 -0.000 0.000 0.251 367 L C 0.591 177.470 176.870 0.014 0.000 1.064 367 L CA -0.642 54.248 54.840 0.084 0.000 0.859 367 L CB 1.927 44.022 42.059 0.060 0.000 1.468 367 L HN 0.255 nan 8.230 nan 0.000 0.411 368 G N 0.528 109.319 108.800 -0.014 0.000 2.189 368 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.267 368 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.267 368 G C 0.192 175.061 174.900 -0.052 0.000 0.975 368 G CA 0.148 45.223 45.100 -0.042 0.000 0.644 368 G HN 0.429 nan 8.290 nan 0.000 0.537 369 R N -0.703 119.772 120.500 -0.042 0.000 2.548 369 R HA 0.394 4.734 4.340 -0.000 0.000 0.280 369 R C -0.459 175.810 176.300 -0.052 0.000 1.061 369 R CA -0.887 55.179 56.100 -0.057 0.000 0.915 369 R CB 1.148 31.418 30.300 -0.050 0.000 1.210 369 R HN 0.177 nan 8.270 nan 0.000 0.442 370 I N 4.397 124.919 120.570 -0.081 0.000 2.278 370 I HA 0.062 4.231 4.170 -0.000 0.000 0.300 370 I C 0.367 176.446 176.117 -0.064 0.000 1.174 370 I CA -0.105 61.146 61.300 -0.081 0.000 1.347 370 I CB 0.153 38.075 38.000 -0.129 0.000 1.473 370 I HN 0.194 nan 8.210 nan 0.000 0.595 371 V N 3.771 123.670 119.914 -0.025 0.000 2.962 371 V HA 0.658 4.778 4.120 -0.000 0.000 0.313 371 V C -2.815 173.292 176.094 0.021 0.000 1.099 371 V CA -2.923 59.371 62.300 -0.010 0.000 0.971 371 V CB 1.618 33.435 31.823 -0.011 0.000 1.028 371 V HN 0.201 nan 8.190 nan 0.000 0.430 372 P HA 0.346 nan 4.420 nan 0.000 0.263 372 P C 0.980 178.298 177.300 0.029 0.000 1.195 372 P CA 1.921 65.044 63.100 0.039 0.000 0.762 372 P CB 0.710 32.429 31.700 0.032 0.000 0.799 373 G N 1.733 110.559 108.800 0.043 0.000 2.213 373 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.236 373 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.236 373 G C 0.445 175.398 174.900 0.089 0.000 0.991 373 G CA 0.011 45.107 45.100 -0.008 0.000 0.629 373 G HN 0.836 nan 8.290 nan 0.000 0.517 374 A N -0.176 122.721 122.820 0.127 0.000 2.272 374 A HA 0.689 5.009 4.320 -0.000 0.000 0.275 374 A C 0.240 177.915 177.584 0.153 0.000 1.096 374 A CA -0.115 51.996 52.037 0.125 0.000 0.822 374 A CB 0.189 19.235 19.000 0.076 0.000 1.088 374 A HN 0.602 nan 8.150 nan 0.000 0.495 375 H N -0.097 119.035 119.070 0.104 0.000 2.764 375 H HA 0.343 4.898 4.556 -0.001 0.000 0.341 375 H C 0.794 176.056 175.328 -0.109 0.000 1.072 375 H CA 0.903 56.863 56.048 -0.147 0.000 1.444 375 H CB 0.813 30.493 29.762 -0.137 0.000 1.458 375 H HN 0.715 nan 8.280 nan 0.000 0.572 376 A N 3.710 126.496 122.820 -0.056 0.000 3.048 376 A HA 0.050 4.370 4.320 -0.000 0.000 0.264 376 A C -0.471 177.094 177.584 -0.031 0.000 1.796 376 A CA -0.432 51.590 52.037 -0.025 0.000 1.445 376 A CB -0.784 18.210 19.000 -0.011 0.000 1.074 376 A HN 0.612 nan 8.150 nan 0.000 0.621 377 D N 0.795 121.184 120.400 -0.019 0.000 2.443 377 D HA 0.461 5.101 4.640 -0.000 0.000 0.221 377 D C -0.486 175.768 176.300 -0.077 0.000 1.097 377 D CA 0.205 54.187 54.000 -0.031 0.000 0.865 377 D CB 1.380 42.167 40.800 -0.021 0.000 1.034 377 D HN 0.108 nan 8.370 nan 0.000 0.511 378 V N 2.819 122.675 119.914 -0.097 0.000 2.789 378 V HA 0.491 4.610 4.120 -0.000 0.000 0.311 378 V C -0.073 175.938 176.094 -0.137 0.000 1.073 378 V CA -0.875 61.315 62.300 -0.184 0.000 0.921 378 V CB 2.200 33.803 31.823 -0.367 0.000 1.009 378 V HN 0.325 nan 8.190 nan 0.000 0.426 379 L N 3.314 124.440 121.223 -0.162 0.000 2.333 379 L HA 0.752 5.092 4.340 -0.000 0.000 0.269 379 L C -0.916 175.895 176.870 -0.098 0.000 1.010 379 L CA -1.024 53.750 54.840 -0.110 0.000 0.818 379 L CB 2.240 44.220 42.059 -0.132 0.000 1.306 379 L HN 0.323 nan 8.230 nan 0.000 0.430 380 V N 2.600 122.499 119.914 -0.024 0.000 2.444 380 V HA 0.432 4.552 4.120 -0.000 0.000 0.294 380 V C -0.207 175.886 176.094 -0.002 0.000 1.022 380 V CA -0.514 61.790 62.300 0.007 0.000 0.850 380 V CB 2.270 34.150 31.823 0.095 0.000 0.992 380 V HN 0.428 nan 8.190 nan 0.000 0.426 381 V N 3.246 123.148 119.914 -0.020 0.000 2.581 381 V HA 0.406 4.525 4.120 -0.000 0.000 0.303 381 V C -0.171 175.925 176.094 0.003 0.000 1.041 381 V CA -0.687 61.603 62.300 -0.016 0.000 0.907 381 V CB 2.155 33.941 31.823 -0.062 0.000 0.994 381 V HN 0.881 nan 8.190 nan 0.000 0.442 382 D N 2.916 123.335 120.400 0.032 0.000 2.558 382 D HA 0.542 5.181 4.640 -0.000 0.000 0.221 382 D C 0.281 176.556 176.300 -0.042 0.000 1.143 382 D CA 1.030 55.043 54.000 0.023 0.000 1.010 382 D CB -0.081 40.768 40.800 0.082 0.000 1.068 382 D HN 0.941 nan 8.370 nan 0.000 0.511 383 G N 1.703 110.472 108.800 -0.052 0.000 2.341 383 G HA2 0.115 4.075 3.960 -0.000 0.000 0.293 383 G HA3 0.115 4.075 3.960 -0.000 0.000 0.293 383 G C -1.580 173.280 174.900 -0.066 0.000 1.298 383 G CA -1.059 43.993 45.100 -0.081 0.000 0.868 383 G HN 0.268 nan 8.290 nan 0.000 0.540 384 N N 0.666 119.325 118.700 -0.068 0.000 2.626 384 N HA 0.501 5.240 4.740 -0.000 0.000 0.249 384 N C -1.763 173.705 175.510 -0.070 0.000 1.021 384 N CA -2.160 50.854 53.050 -0.059 0.000 0.886 384 N CB 2.349 40.812 38.487 -0.039 0.000 1.149 384 N HN 0.032 nan 8.380 nan 0.000 0.517 385 P HA -0.044 nan 4.420 nan 0.000 0.219 385 P C 1.455 178.705 177.300 -0.083 0.000 1.146 385 P CA 0.848 63.875 63.100 -0.121 0.000 0.808 385 P CB 0.480 32.073 31.700 -0.178 0.000 0.779 386 L N -1.141 120.046 121.223 -0.060 0.000 2.275 386 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 386 L C 2.344 179.203 176.870 -0.019 0.000 1.119 386 L CA 1.354 56.175 54.840 -0.033 0.000 0.790 386 L CB -0.506 41.540 42.059 -0.022 0.000 0.919 386 L HN 0.014 nan 8.230 nan 0.000 0.443 387 K N -1.265 119.120 120.400 -0.025 0.000 2.141 387 K HA 0.090 4.410 4.320 -0.000 0.000 0.202 387 K C 0.699 177.290 176.600 -0.015 0.000 1.045 387 K CA 0.328 56.606 56.287 -0.016 0.000 0.971 387 K CB 0.592 33.081 32.500 -0.019 0.000 0.795 387 K HN 0.036 nan 8.250 nan 0.000 0.459 388 S N -0.727 114.955 115.700 -0.029 0.000 2.556 388 S HA 0.238 4.707 4.470 -0.000 0.000 0.271 388 S C 0.035 174.606 174.600 -0.048 0.000 1.135 388 S CA -0.773 57.412 58.200 -0.024 0.000 0.858 388 S CB 1.942 65.128 63.200 -0.024 0.000 1.114 388 S HN 0.017 nan 8.310 nan 0.000 0.468 389 V N 0.148 120.045 119.914 -0.028 0.000 3.578 389 V HA 0.356 4.476 4.120 -0.000 0.000 0.290 389 V C 0.941 177.015 176.094 -0.033 0.000 1.376 389 V CA 0.403 62.662 62.300 -0.068 0.000 1.083 389 V CB -0.178 31.640 31.823 -0.009 0.000 0.911 389 V HN 0.673 nan 8.190 nan 0.000 0.433 390 D N 1.870 122.269 120.400 -0.002 0.000 2.265 390 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 390 D C 2.109 178.426 176.300 0.028 0.000 0.977 390 D CA 1.818 55.834 54.000 0.027 0.000 0.871 390 D CB -0.341 40.468 40.800 0.014 0.000 0.925 390 D HN 0.817 nan 8.370 nan 0.000 0.485 391 C N -0.554 118.723 119.300 -0.039 0.000 2.448 391 C HA 0.121 4.580 4.460 -0.000 0.000 0.280 391 C C 2.513 177.527 174.990 0.039 0.000 1.398 391 C CA -0.273 58.732 59.018 -0.022 0.000 1.774 391 C CB -1.459 26.221 27.740 -0.100 0.000 1.888 391 C HN 0.207 nan 8.230 nan 0.000 0.519 392 L N 0.324 121.515 121.223 -0.053 0.000 2.375 392 L HA 0.212 4.552 4.340 -0.000 0.000 0.215 392 L C 1.367 178.283 176.870 0.076 0.000 1.108 392 L CA 0.119 54.901 54.840 -0.097 0.000 0.830 392 L CB -0.438 41.360 42.059 -0.435 0.000 0.959 392 L HN 0.300 nan 8.230 nan 0.000 0.457 393 L N -0.153 121.149 121.223 0.132 0.000 2.479 393 L HA 0.226 4.566 4.340 -0.000 0.000 0.270 393 L C 1.353 178.307 176.870 0.141 0.000 1.236 393 L CA 0.780 55.727 54.840 0.178 0.000 0.823 393 L CB -0.271 41.885 42.059 0.161 0.000 1.098 393 L HN 0.332 nan 8.230 nan 0.000 0.500 394 G N 1.348 110.228 108.800 0.134 0.000 2.509 394 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.256 394 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.256 394 G C 0.034 174.986 174.900 0.086 0.000 1.152 394 G CA 0.176 45.330 45.100 0.090 0.000 0.951 394 G HN 0.546 nan 8.290 nan 0.000 0.559 395 Q N 1.235 121.062 119.800 0.046 0.000 2.155 395 Q HA 0.505 4.844 4.340 -0.000 0.000 0.273 395 Q C 0.955 176.969 176.000 0.022 0.000 0.857 395 Q CA 1.428 57.257 55.803 0.042 0.000 1.116 395 Q CB 0.120 28.872 28.738 0.024 0.000 1.209 395 Q HN 2.384 nan 8.270 nan 0.000 0.460 396 G N 0.364 109.175 108.800 0.019 0.000 2.149 396 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.235 396 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.235 396 G C 0.646 175.513 174.900 -0.055 0.000 1.018 396 G CA 0.487 45.584 45.100 -0.004 0.000 0.728 396 G HN 0.380 nan 8.290 nan 0.000 0.508 397 E N -0.036 120.084 120.200 -0.134 0.000 2.110 397 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 397 E C 1.567 177.954 176.600 -0.356 0.000 0.988 397 E CA 1.330 57.554 56.400 -0.292 0.000 0.804 397 E CB -0.058 29.363 29.700 -0.466 0.000 0.745 397 E HN 0.730 nan 8.360 nan 0.000 0.458 398 H N -0.852 118.219 119.070 0.001 0.000 2.524 398 H HA 0.304 4.860 4.556 0.000 0.000 0.297 398 H C -0.214 175.101 175.328 -0.021 0.000 1.115 398 H CA 0.039 56.083 56.048 -0.008 0.000 1.027 398 H CB 0.017 29.770 29.762 -0.014 0.000 1.591 398 H HN 0.074 nan 8.280 nan 0.000 0.543 399 I N 2.507 123.100 120.570 0.040 0.000 2.862 399 I HA 0.133 4.303 4.170 -0.000 0.000 0.285 399 I C -1.765 174.363 176.117 0.017 0.000 1.339 399 I CA -1.473 59.836 61.300 0.015 0.000 1.002 399 I CB 1.857 39.848 38.000 -0.015 0.000 1.618 399 I HN -0.134 nan 8.210 nan 0.000 0.593 400 P HA -0.122 nan 4.420 nan 0.000 0.218 400 P C 0.437 177.762 177.300 0.041 0.000 1.148 400 P CA 1.246 64.368 63.100 0.036 0.000 0.822 400 P CB 1.031 32.760 31.700 0.048 0.000 0.784 401 L N -0.657 120.594 121.223 0.047 0.000 2.410 401 L HA 0.491 4.831 4.340 -0.000 0.000 0.270 401 L C -1.408 175.490 176.870 0.045 0.000 0.983 401 L CA -0.903 53.972 54.840 0.059 0.000 0.822 401 L CB 2.557 44.679 42.059 0.105 0.000 1.285 401 L HN -0.429 nan 8.230 nan 0.000 0.409 402 V N 5.843 125.788 119.914 0.051 0.000 2.482 402 V HA 0.449 4.568 4.120 -0.000 0.000 0.295 402 V C -0.371 175.776 176.094 0.087 0.000 1.026 402 V CA -0.316 62.017 62.300 0.054 0.000 0.856 402 V CB 1.659 33.520 31.823 0.063 0.000 1.001 402 V HN 0.834 nan 8.190 nan 0.000 0.424 403 M N 5.536 125.169 119.600 0.055 0.000 2.243 403 M HA 0.578 5.058 4.480 -0.000 0.000 0.324 403 M C -0.924 175.420 176.300 0.074 0.000 1.031 403 M CA -0.426 54.894 55.300 0.032 0.000 0.949 403 M CB 1.341 33.932 32.600 -0.015 0.000 1.615 403 M HN 0.621 nan 8.290 nan 0.000 0.430 404 K N 4.553 125.066 120.400 0.187 0.000 2.426 404 K HA 0.230 4.550 4.320 -0.000 0.000 0.254 404 K C -0.981 175.696 176.600 0.128 0.000 0.936 404 K CA -0.193 56.197 56.287 0.172 0.000 0.801 404 K CB 1.098 33.731 32.500 0.222 0.000 1.139 404 K HN 0.862 nan 8.250 nan 0.000 0.424 405 D N 3.164 123.572 120.400 0.013 0.000 2.772 405 D HA -0.181 4.459 4.640 -0.000 0.000 0.233 405 D C 0.575 176.833 176.300 -0.071 0.000 1.143 405 D CA 1.758 55.731 54.000 -0.045 0.000 0.700 405 D CB -1.082 39.714 40.800 -0.006 0.000 1.076 405 D HN 1.115 nan 8.370 nan 0.000 0.430 406 G N -0.221 108.527 108.800 -0.088 0.000 2.168 406 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 406 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 406 G C 0.285 175.039 174.900 -0.243 0.000 0.997 406 G CA 0.783 45.809 45.100 -0.123 0.000 0.708 406 G HN 0.548 nan 8.290 nan 0.000 0.520 407 R N -0.934 119.407 120.500 -0.266 0.000 2.740 407 R HA 0.677 5.017 4.340 -0.000 0.000 0.282 407 R C -0.151 175.840 176.300 -0.515 0.000 0.969 407 R CA -1.034 54.812 56.100 -0.425 0.000 0.918 407 R CB 1.496 31.507 30.300 -0.481 0.000 1.175 407 R HN 0.139 nan 8.270 nan 0.000 0.464 408 L N 2.638 123.548 121.223 -0.522 0.000 2.265 408 L HA 0.284 4.623 4.340 -0.000 0.000 0.288 408 L C 0.247 176.862 176.870 -0.424 0.000 1.058 408 L CA -0.093 54.532 54.840 -0.360 0.000 0.809 408 L CB 0.495 42.400 42.059 -0.257 0.000 1.179 408 L HN 0.644 nan 8.230 nan 0.000 0.429 409 F N 2.102 122.017 119.950 -0.059 0.000 2.656 409 F HA 0.196 4.723 4.527 -0.001 0.000 0.291 409 F C 0.522 176.308 175.800 -0.023 0.000 1.122 409 F CA 0.079 58.058 58.000 -0.035 0.000 1.427 409 F CB 0.715 39.697 39.000 -0.031 0.000 1.125 409 F HN 0.114 nan 8.300 nan 0.000 0.583 410 V N 0.895 120.877 119.914 0.113 0.000 2.624 410 V HA 0.285 4.405 4.120 -0.000 0.000 0.294 410 V C -1.320 174.796 176.094 0.038 0.000 1.077 410 V CA -0.761 61.580 62.300 0.069 0.000 0.905 410 V CB 1.727 33.594 31.823 0.074 0.000 1.025 410 V HN 0.124 nan 8.190 nan 0.000 0.440 411 N N 3.708 122.422 118.700 0.024 0.000 2.690 411 N HA 0.248 4.987 4.740 -0.000 0.000 0.255 411 N C 0.185 175.714 175.510 0.031 0.000 1.195 411 N CA -0.461 52.605 53.050 0.026 0.000 0.790 411 N CB 1.385 39.877 38.487 0.009 0.000 1.216 411 N HN 0.813 nan 8.380 nan 0.000 0.528 412 E N 2.935 123.155 120.200 0.034 0.000 2.411 412 E HA 0.162 4.512 4.350 -0.000 0.000 0.228 412 E C 0.146 176.767 176.600 0.036 0.000 1.169 412 E CA -0.195 56.224 56.400 0.031 0.000 1.421 412 E CB 0.117 29.832 29.700 0.025 0.000 1.333 412 E HN 0.496 nan 8.360 nan 0.000 0.434 413 L N -0.112 121.136 121.223 0.042 0.000 2.467 413 L HA 0.224 4.563 4.340 -0.000 0.000 0.213 413 L C 0.967 177.862 176.870 0.041 0.000 1.053 413 L CA 0.374 55.241 54.840 0.045 0.000 0.847 413 L CB 0.236 42.328 42.059 0.055 0.000 1.075 413 L HN 0.151 nan 8.230 nan 0.000 0.479 414 E N 0.000 120.228 120.200 0.047 0.000 2.725 414 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 414 E CA 0.000 56.428 56.400 0.047 0.000 0.976 414 E CB 0.000 29.745 29.700 0.076 0.000 0.812 414 E HN 0.000 nan 8.360 nan 0.000 0.440