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 3fts_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDTCSLASPA SVCRTKHLHL RCSVDFTRRT LTGTAALTVQ SQEDNLRSLV DATA SEQUENCE LDTKDLTIEK VVINGQEVKY ALGERQSYKG SPMEISLPIA LSKNQEIVIE DATA SEQUENCE ISFETSPKSS ALQWLTPEQT SGKEHPYLFS QCQAIHCRAI LPCQDTPSVK DATA SEQUENCE LTYTAEVSVP KELVALMSAI RDGETPDPED PSRKIYKFIQ KVPIPCYLIA DATA SEQUENCE LVVGALESRQ IGPRTLVWSE KEQVEKSAYE FSETESMLKI AEDLGGPYVW DATA SEQUENCE GQYDLLVLPP SFPYGGMENP CLTFVTPTLL AGDKSLSNVI AHEISHSWTG DATA SEQUENCE NLVTNKTWDH FWLNEGHTVY LERHICGRLF GEKFRHFNAL GGWGELQNSV DATA SEQUENCE KTFGETHPFT KLVVDLTDID PDVAYSSVPY EKGFALLFYL EQLLGGPEIF DATA SEQUENCE LGFLKAYVEK FSYKSITTDD WKDFLYSYFK DKVDVLNQVD WNAWLYSPGL DATA SEQUENCE PPIKPNYDMT LTNACIALSQ RWITAKEDDL NSFNATDLKD LSSHQLNEFL DATA SEQUENCE AQTLQRAPLP LGHIKRMQEV YNFNAINNSE IRFRWLRLCI QSKWEDAIPL DATA SEQUENCE ALKMATEQGR MKFTRPLFKD LAAFDKSHDQ AVRTYQEHKA SMHPVTAMLV DATA SEQUENCE GKDLKVD 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.122 176.094 0.047 0.000 1.182 4 V CA 0.000 62.323 62.300 0.038 0.000 1.235 4 V CB 0.000 31.846 31.823 0.039 0.000 1.184 5 D N 2.897 123.320 120.400 0.037 0.000 2.428 5 D HA 0.349 4.985 4.640 -0.007 0.000 0.221 5 D C 1.387 177.724 176.300 0.062 0.000 1.123 5 D CA 0.470 54.498 54.000 0.046 0.000 0.869 5 D CB 1.894 42.709 40.800 0.025 0.000 1.032 5 D HN 0.918 nan 8.370 nan 0.000 0.506 6 T N -0.421 114.179 114.554 0.078 0.000 3.163 6 T HA -0.056 4.290 4.350 -0.007 0.000 0.260 6 T C 1.607 176.365 174.700 0.097 0.000 1.156 6 T CA 0.128 62.274 62.100 0.077 0.000 1.072 6 T CB -0.366 68.550 68.868 0.079 0.000 0.937 6 T HN 0.391 nan 8.240 nan 0.000 0.528 7 C N 1.323 120.702 119.300 0.131 0.000 2.791 7 C HA 0.531 4.987 4.460 -0.007 0.000 0.270 7 C C 1.226 176.281 174.990 0.108 0.000 1.257 7 C CA -0.670 58.446 59.018 0.163 0.000 1.699 7 C CB -1.106 26.790 27.740 0.260 0.000 1.904 7 C HN 0.613 nan 8.230 nan 0.000 0.603 8 S N -0.117 115.628 115.700 0.076 0.000 2.500 8 S HA 0.643 5.109 4.470 -0.007 0.000 0.301 8 S C 0.085 174.697 174.600 0.019 0.000 1.092 8 S CA -0.511 57.718 58.200 0.049 0.000 1.030 8 S CB 0.731 63.965 63.200 0.057 0.000 1.031 8 S HN 0.397 nan 8.310 nan 0.000 0.483 9 L N 2.977 124.201 121.223 0.001 0.000 2.640 9 L HA 0.418 4.754 4.340 -0.007 0.000 0.230 9 L C 1.157 178.027 176.870 -0.001 0.000 1.123 9 L CA -0.226 54.609 54.840 -0.008 0.000 0.900 9 L CB -0.345 41.700 42.059 -0.024 0.000 1.146 9 L HN 0.680 nan 8.230 nan 0.000 0.484 10 A N -0.045 122.777 122.820 0.004 0.000 2.272 10 A HA 0.468 4.783 4.320 -0.007 0.000 0.275 10 A C 0.533 178.121 177.584 0.007 0.000 1.096 10 A CA -0.237 51.802 52.037 0.003 0.000 0.822 10 A CB 0.352 19.353 19.000 0.002 0.000 1.088 10 A HN 0.178 nan 8.150 nan 0.000 0.495 11 S N 2.510 118.214 115.700 0.007 0.000 2.537 11 S HA 0.294 4.760 4.470 -0.007 0.000 0.286 11 S C -2.089 172.516 174.600 0.009 0.000 1.299 11 S CA -0.549 57.656 58.200 0.008 0.000 1.067 11 S CB -0.120 63.086 63.200 0.009 0.000 0.864 11 S HN 0.629 nan 8.310 nan 0.000 0.494 12 P HA 0.123 nan 4.420 nan 0.000 0.271 12 P C 0.387 177.692 177.300 0.007 0.000 1.233 12 P CA -0.308 62.798 63.100 0.009 0.000 0.789 12 P CB 0.496 32.203 31.700 0.011 0.000 0.951 13 A N 1.562 124.385 122.820 0.005 0.000 2.131 13 A HA -0.152 4.164 4.320 -0.007 0.000 0.220 13 A C 2.076 179.664 177.584 0.005 0.000 1.158 13 A CA 1.943 53.982 52.037 0.004 0.000 0.665 13 A CB -1.482 17.518 19.000 0.000 0.000 0.795 13 A HN 0.659 nan 8.150 nan 0.000 0.460 14 S N -1.431 114.273 115.700 0.006 0.000 2.496 14 S HA 0.056 4.522 4.470 -0.007 0.000 0.224 14 S C 1.471 176.075 174.600 0.007 0.000 0.996 14 S CA 0.955 59.159 58.200 0.007 0.000 0.927 14 S CB -0.091 63.114 63.200 0.008 0.000 0.774 14 S HN 0.200 nan 8.310 nan 0.000 0.524 15 V N 1.157 121.076 119.914 0.008 0.000 2.521 15 V HA 0.239 4.354 4.120 -0.007 0.000 0.239 15 V C 1.203 177.302 176.094 0.008 0.000 1.053 15 V CA 0.809 63.114 62.300 0.008 0.000 1.073 15 V CB 0.015 31.843 31.823 0.009 0.000 0.746 15 V HN 0.918 nan 8.190 nan 0.000 0.476 16 C N -0.610 118.695 119.300 0.008 0.000 3.285 16 C HA 0.782 5.237 4.460 -0.007 0.000 0.325 16 C C -0.953 174.042 174.990 0.009 0.000 1.304 16 C CA -1.315 57.708 59.018 0.009 0.000 1.319 16 C CB 1.620 29.366 27.740 0.010 0.000 1.640 16 C HN 0.411 nan 8.230 nan 0.000 0.477 17 R N 0.800 121.306 120.500 0.010 0.000 2.532 17 R HA 0.626 4.962 4.340 -0.007 0.000 0.297 17 R C -0.855 175.455 176.300 0.017 0.000 0.984 17 R CA -0.310 55.797 56.100 0.012 0.000 0.884 17 R CB 2.288 32.594 30.300 0.010 0.000 1.182 17 R HN 0.858 nan 8.270 nan 0.000 0.442 18 T N 3.715 118.279 114.554 0.017 0.000 2.834 18 T HA 0.081 4.427 4.350 -0.007 0.000 0.298 18 T C 1.000 175.724 174.700 0.040 0.000 0.966 18 T CA -0.294 61.823 62.100 0.027 0.000 1.141 18 T CB 0.743 69.620 68.868 0.015 0.000 0.905 18 T HN 0.270 nan 8.240 nan 0.000 0.535 19 K N 1.620 122.058 120.400 0.063 0.000 2.308 19 K HA 0.147 4.463 4.320 -0.007 0.000 0.197 19 K C 0.478 177.172 176.600 0.156 0.000 1.049 19 K CA 0.584 56.920 56.287 0.081 0.000 0.991 19 K CB 0.216 32.756 32.500 0.067 0.000 0.836 19 K HN 0.763 nan 8.250 nan 0.000 0.500 20 H N -1.204 117.891 119.070 0.042 0.000 3.094 20 H HA 0.435 4.987 4.556 -0.007 0.000 0.346 20 H C -2.073 173.307 175.328 0.086 0.000 1.238 20 H CA -0.908 55.184 56.048 0.073 0.000 1.209 20 H CB 1.319 31.120 29.762 0.064 0.000 1.911 20 H HN -0.083 nan 8.280 nan 0.000 0.540 21 L N 4.348 125.395 121.223 -0.293 0.000 2.349 21 L HA 0.367 4.703 4.340 -0.007 0.000 0.278 21 L C -1.420 175.396 176.870 -0.090 0.000 0.996 21 L CA -0.345 54.422 54.840 -0.122 0.000 0.825 21 L CB 1.151 43.131 42.059 -0.131 0.000 1.243 21 L HN 0.798 nan 8.230 nan 0.000 0.412 22 H N 5.823 124.937 119.070 0.073 0.000 2.597 22 H HA 0.359 4.911 4.556 -0.007 0.000 0.303 22 H C -1.485 173.907 175.328 0.107 0.000 1.057 22 H CA -0.743 55.388 56.048 0.138 0.000 1.261 22 H CB 1.635 31.525 29.762 0.214 0.000 1.397 22 H HN 0.654 nan 8.280 nan 0.000 0.461 23 L N 6.688 127.725 121.223 -0.310 0.000 2.265 23 L HA 0.359 4.695 4.340 -0.007 0.000 0.289 23 L C -0.549 176.137 176.870 -0.307 0.000 1.033 23 L CA -0.332 54.387 54.840 -0.202 0.000 0.814 23 L CB 0.650 42.651 42.059 -0.096 0.000 1.203 23 L HN 0.581 nan 8.230 nan 0.000 0.423 24 R N 5.146 125.539 120.500 -0.178 0.000 2.310 24 R HA 0.658 4.994 4.340 -0.007 0.000 0.324 24 R C -0.950 175.323 176.300 -0.046 0.000 0.955 24 R CA -0.506 55.544 56.100 -0.084 0.000 0.830 24 R CB 1.020 31.314 30.300 -0.010 0.000 1.154 24 R HN 0.883 nan 8.270 nan 0.000 0.458 25 C N -0.661 118.625 119.300 -0.023 0.000 3.241 25 C HA 0.780 5.236 4.460 -0.007 0.000 0.312 25 C C -0.390 174.593 174.990 -0.011 0.000 1.350 25 C CA -0.993 57.997 59.018 -0.047 0.000 1.415 25 C CB 1.910 29.631 27.740 -0.032 0.000 1.770 25 C HN 0.678 nan 8.230 nan 0.000 0.466 26 S N 0.274 115.956 115.700 -0.030 0.000 2.521 26 S HA 0.729 5.195 4.470 -0.007 0.000 0.295 26 S C -1.047 173.555 174.600 0.004 0.000 1.098 26 S CA -0.342 57.860 58.200 0.004 0.000 0.999 26 S CB 1.302 64.499 63.200 -0.004 0.000 1.034 26 S HN 1.042 nan 8.310 nan 0.000 0.483 27 V N 4.738 124.667 119.914 0.025 0.000 2.348 27 V HA 0.349 4.465 4.120 -0.007 0.000 0.270 27 V C -0.203 175.888 176.094 -0.005 0.000 1.037 27 V CA -0.605 61.688 62.300 -0.010 0.000 0.872 27 V CB 1.147 32.907 31.823 -0.104 0.000 1.002 27 V HN 0.850 nan 8.190 nan 0.000 0.464 28 D N 4.095 124.485 120.400 -0.017 0.000 2.485 28 D HA 0.290 4.925 4.640 -0.007 0.000 0.229 28 D C 0.634 176.849 176.300 -0.141 0.000 1.101 28 D CA -0.412 53.567 54.000 -0.034 0.000 0.906 28 D CB 0.734 41.496 40.800 -0.062 0.000 1.019 28 D HN 0.363 nan 8.370 nan 0.000 0.516 29 F N 1.012 121.005 119.950 0.071 0.000 2.365 29 F HA -0.109 4.414 4.527 -0.007 0.000 0.300 29 F C 2.463 178.194 175.800 -0.114 0.000 1.090 29 F CA 0.797 58.816 58.000 0.032 0.000 1.408 29 F CB -0.111 38.991 39.000 0.171 0.000 1.060 29 F HN 0.287 nan 8.300 nan 0.000 0.534 30 T N -0.363 114.234 114.554 0.071 0.000 2.777 30 T HA -0.144 4.202 4.350 -0.007 0.000 0.266 30 T C 1.863 176.498 174.700 -0.108 0.000 1.040 30 T CA 1.301 63.400 62.100 -0.002 0.000 1.141 30 T CB -0.143 68.729 68.868 0.008 0.000 0.868 30 T HN 0.237 nan 8.240 nan 0.000 0.444 31 R N 0.232 120.621 120.500 -0.184 0.000 2.362 31 R HA 0.256 4.592 4.340 -0.007 0.000 0.227 31 R C 0.059 176.090 176.300 -0.448 0.000 0.905 31 R CA -0.198 55.758 56.100 -0.240 0.000 1.067 31 R CB 0.339 30.536 30.300 -0.171 0.000 1.078 31 R HN 0.224 nan 8.270 nan 0.000 0.516 32 R N 1.361 121.400 120.500 -0.768 0.000 3.301 32 R HA -0.155 4.181 4.340 -0.007 0.000 0.249 32 R C -0.451 175.141 176.300 -1.180 0.000 0.964 32 R CA 1.297 56.338 56.100 -1.765 0.000 0.653 32 R CB -2.511 26.774 30.300 -1.691 0.000 1.043 32 R HN 0.372 nan 8.270 nan 0.000 0.454 33 T N -2.666 111.525 114.554 -0.604 0.000 2.924 33 T HA 0.668 5.014 4.350 -0.007 0.000 0.291 33 T C -0.421 174.338 174.700 0.098 0.000 1.045 33 T CA -1.212 60.817 62.100 -0.119 0.000 1.015 33 T CB 2.379 71.185 68.868 -0.103 0.000 1.103 33 T HN 0.133 nan 8.240 nan 0.000 0.496 34 L N 1.815 123.136 121.223 0.163 0.000 2.313 34 L HA 0.722 5.058 4.340 -0.007 0.000 0.283 34 L C -0.536 176.307 176.870 -0.046 0.000 1.013 34 L CA 0.048 54.941 54.840 0.089 0.000 0.816 34 L CB 1.664 43.800 42.059 0.129 0.000 1.236 34 L HN 1.022 nan 8.230 nan 0.000 0.419 35 T N 3.563 118.028 114.554 -0.149 0.000 2.876 35 T HA 0.953 5.299 4.350 -0.007 0.000 0.289 35 T C -0.057 174.400 174.700 -0.404 0.000 1.014 35 T CA -0.110 61.806 62.100 -0.307 0.000 0.986 35 T CB 1.732 70.489 68.868 -0.185 0.000 1.021 35 T HN 1.009 nan 8.240 nan 0.000 0.458 36 G N 1.411 109.804 108.800 -0.679 0.000 2.404 36 G HA2 0.470 4.426 3.960 -0.007 0.000 0.253 36 G HA3 0.470 4.426 3.960 -0.007 0.000 0.253 36 G C -1.010 173.595 174.900 -0.491 0.000 1.253 36 G CA -0.146 44.681 45.100 -0.454 0.000 0.917 36 G HN 1.002 nan 8.290 nan 0.000 0.480 37 T N -1.985 112.481 114.554 -0.148 0.000 2.841 37 T HA 0.808 5.153 4.350 -0.007 0.000 0.283 37 T C -0.275 174.573 174.700 0.247 0.000 1.000 37 T CA 0.314 62.458 62.100 0.072 0.000 0.977 37 T CB 1.875 70.777 68.868 0.057 0.000 0.979 37 T HN 2.021 nan 8.240 nan 0.000 0.446 38 A N 2.160 125.189 122.820 0.349 0.000 2.277 38 A HA 0.790 5.106 4.320 -0.007 0.000 0.318 38 A C 0.309 177.958 177.584 0.109 0.000 1.339 38 A CA -0.890 51.255 52.037 0.179 0.000 0.875 38 A CB 0.038 19.050 19.000 0.021 0.000 1.158 38 A HN 1.399 nan 8.150 nan 0.000 0.514 39 A N 3.724 126.614 122.820 0.118 0.000 2.294 39 A HA 0.618 4.933 4.320 -0.007 0.000 0.316 39 A C -0.378 177.276 177.584 0.117 0.000 1.359 39 A CA -0.285 51.828 52.037 0.127 0.000 0.956 39 A CB -0.194 18.916 19.000 0.183 0.000 1.155 39 A HN 0.799 nan 8.150 nan 0.000 0.544 40 L N 2.812 124.079 121.223 0.073 0.000 2.257 40 L HA 0.300 4.636 4.340 -0.007 0.000 0.290 40 L C 0.202 177.118 176.870 0.077 0.000 1.044 40 L CA -0.286 54.592 54.840 0.063 0.000 0.810 40 L CB 1.428 43.499 42.059 0.020 0.000 1.193 40 L HN 0.587 nan 8.230 nan 0.000 0.425 41 T N 3.307 117.928 114.554 0.111 0.000 2.738 41 T HA 0.284 4.630 4.350 -0.007 0.000 0.294 41 T C 0.126 174.865 174.700 0.064 0.000 0.914 41 T CA -0.254 61.900 62.100 0.090 0.000 1.052 41 T CB 0.480 69.415 68.868 0.112 0.000 0.897 41 T HN 0.183 nan 8.240 nan 0.000 0.522 42 V N 4.561 124.500 119.914 0.042 0.000 2.435 42 V HA 0.371 4.487 4.120 -0.007 0.000 0.290 42 V C 0.184 176.291 176.094 0.022 0.000 1.030 42 V CA -0.918 61.400 62.300 0.030 0.000 0.881 42 V CB 1.724 33.560 31.823 0.022 0.000 0.983 42 V HN 0.757 nan 8.190 nan 0.000 0.445 43 Q N 2.717 122.528 119.800 0.019 0.000 2.303 43 Q HA 0.386 4.722 4.340 -0.007 0.000 0.257 43 Q C 0.026 176.032 176.000 0.010 0.000 0.941 43 Q CA -0.170 55.640 55.803 0.012 0.000 0.931 43 Q CB 1.391 30.135 28.738 0.009 0.000 1.215 43 Q HN 0.825 nan 8.270 nan 0.000 0.437 44 S N 2.948 118.653 115.700 0.008 0.000 2.564 44 S HA 0.059 4.524 4.470 -0.007 0.000 0.278 44 S C 0.449 175.052 174.600 0.006 0.000 1.333 44 S CA -0.102 58.102 58.200 0.008 0.000 1.048 44 S CB 0.739 63.943 63.200 0.007 0.000 0.900 44 S HN 0.741 nan 8.310 nan 0.000 0.505 45 Q N 2.191 121.995 119.800 0.006 0.000 2.247 45 Q HA 0.335 4.670 4.340 -0.007 0.000 0.211 45 Q C -0.261 175.742 176.000 0.005 0.000 0.861 45 Q CA 0.309 56.115 55.803 0.005 0.000 0.949 45 Q CB 0.575 29.316 28.738 0.005 0.000 1.115 45 Q HN 0.723 nan 8.270 nan 0.000 0.507 46 E N 0.572 120.775 120.200 0.005 0.000 2.277 46 E HA 0.233 4.579 4.350 -0.007 0.000 0.266 46 E C -1.348 175.255 176.600 0.005 0.000 0.901 46 E CA -0.614 55.789 56.400 0.005 0.000 0.782 46 E CB 1.650 31.354 29.700 0.007 0.000 1.228 46 E HN -0.074 nan 8.360 nan 0.000 0.424 47 D N 0.758 121.161 120.400 0.004 0.000 2.341 47 D HA 0.035 4.671 4.640 -0.007 0.000 0.245 47 D C -0.101 176.202 176.300 0.005 0.000 1.106 47 D CA 0.341 54.343 54.000 0.004 0.000 0.905 47 D CB 0.419 41.221 40.800 0.003 0.000 1.202 47 D HN 0.476 nan 8.370 nan 0.000 0.426 48 N N 1.677 120.380 118.700 0.005 0.000 2.738 48 N HA -0.219 4.517 4.740 -0.007 0.000 0.249 48 N C -1.400 174.114 175.510 0.007 0.000 1.047 48 N CA 0.166 53.219 53.050 0.006 0.000 0.707 48 N CB -1.203 37.287 38.487 0.005 0.000 0.937 48 N HN 0.397 nan 8.380 nan 0.000 0.545 49 L N 0.629 121.857 121.223 0.008 0.000 2.361 49 L HA 0.333 4.669 4.340 -0.007 0.000 0.278 49 L C 1.327 178.204 176.870 0.011 0.000 1.113 49 L CA 0.384 55.229 54.840 0.009 0.000 0.849 49 L CB 0.597 42.661 42.059 0.010 0.000 1.155 49 L HN 0.271 nan 8.230 nan 0.000 0.452 50 R N 1.887 122.394 120.500 0.012 0.000 2.316 50 R HA 0.267 4.603 4.340 -0.007 0.000 0.201 50 R C -0.228 176.082 176.300 0.017 0.000 0.888 50 R CA 0.533 56.641 56.100 0.014 0.000 1.041 50 R CB 0.469 30.776 30.300 0.012 0.000 1.115 50 R HN 0.771 nan 8.270 nan 0.000 0.559 51 S N 0.693 116.403 115.700 0.017 0.000 2.579 51 S HA 0.646 5.112 4.470 -0.007 0.000 0.272 51 S C -1.086 173.525 174.600 0.019 0.000 1.141 51 S CA -1.028 57.185 58.200 0.021 0.000 0.843 51 S CB 2.147 65.361 63.200 0.022 0.000 1.122 51 S HN 0.062 nan 8.310 nan 0.000 0.468 52 L N -0.744 120.493 121.223 0.022 0.000 2.409 52 L HA 0.934 5.270 4.340 -0.007 0.000 0.255 52 L C -1.415 175.467 176.870 0.020 0.000 1.027 52 L CA -1.045 53.806 54.840 0.018 0.000 0.834 52 L CB 0.636 42.704 42.059 0.015 0.000 1.426 52 L HN 0.618 nan 8.230 nan 0.000 0.411 53 V N 2.082 122.005 119.914 0.014 0.000 2.555 53 V HA 0.619 4.735 4.120 -0.007 0.000 0.302 53 V C 0.206 176.302 176.094 0.003 0.000 1.038 53 V CA -0.490 61.817 62.300 0.013 0.000 0.887 53 V CB 1.982 33.812 31.823 0.011 0.000 0.991 53 V HN 0.672 nan 8.190 nan 0.000 0.434 54 L N 2.219 123.440 121.223 -0.003 0.000 2.319 54 L HA 0.617 4.952 4.340 -0.007 0.000 0.267 54 L C -0.466 176.390 176.870 -0.024 0.000 1.011 54 L CA -0.837 53.991 54.840 -0.019 0.000 0.818 54 L CB 2.088 44.124 42.059 -0.038 0.000 1.316 54 L HN 0.542 nan 8.230 nan 0.000 0.432 55 D N 1.235 121.616 120.400 -0.032 0.000 2.304 55 D HA 0.349 4.985 4.640 -0.007 0.000 0.250 55 D C -0.148 176.119 176.300 -0.054 0.000 1.107 55 D CA 0.296 54.276 54.000 -0.034 0.000 0.885 55 D CB 1.896 42.681 40.800 -0.024 0.000 1.192 55 D HN 0.609 nan 8.370 nan 0.000 0.436 56 T N -0.963 113.564 114.554 -0.045 0.000 2.896 56 T HA 0.578 4.924 4.350 -0.007 0.000 0.297 56 T C -0.688 173.994 174.700 -0.030 0.000 1.108 56 T CA -1.029 61.040 62.100 -0.051 0.000 1.004 56 T CB 2.721 71.563 68.868 -0.044 0.000 1.159 56 T HN 0.264 nan 8.240 nan 0.000 0.499 57 K N 1.085 121.473 120.400 -0.019 0.000 2.652 57 K HA 0.279 4.594 4.320 -0.007 0.000 0.249 57 K C -0.990 175.622 176.600 0.019 0.000 0.986 57 K CA -0.460 55.829 56.287 0.003 0.000 0.867 57 K CB 0.795 33.304 32.500 0.015 0.000 1.201 57 K HN 0.837 nan 8.250 nan 0.000 0.450 58 D N 2.694 123.108 120.400 0.023 0.000 2.751 58 D HA -0.217 4.419 4.640 -0.007 0.000 0.233 58 D C -0.302 176.025 176.300 0.044 0.000 1.149 58 D CA 1.053 55.072 54.000 0.033 0.000 0.682 58 D CB -0.798 40.024 40.800 0.037 0.000 1.068 58 D HN 0.434 nan 8.370 nan 0.000 0.429 59 L N 0.004 121.252 121.223 0.041 0.000 2.343 59 L HA 0.349 4.685 4.340 -0.007 0.000 0.275 59 L C 0.996 177.912 176.870 0.077 0.000 1.056 59 L CA -0.352 54.530 54.840 0.070 0.000 0.804 59 L CB 1.524 43.606 42.059 0.039 0.000 1.203 59 L HN -0.224 nan 8.230 nan 0.000 0.440 60 T N 3.680 118.293 114.554 0.100 0.000 2.753 60 T HA 0.429 4.775 4.350 -0.007 0.000 0.297 60 T C 0.062 174.823 174.700 0.102 0.000 0.981 60 T CA -0.393 61.758 62.100 0.084 0.000 0.956 60 T CB 0.453 69.356 68.868 0.058 0.000 0.936 60 T HN 0.168 nan 8.240 nan 0.000 0.463 61 I N 3.612 124.237 120.570 0.091 0.000 2.352 61 I HA 0.209 4.375 4.170 -0.007 0.000 0.290 61 I C 1.452 177.609 176.117 0.067 0.000 1.036 61 I CA -0.193 61.132 61.300 0.042 0.000 1.336 61 I CB 1.043 38.978 38.000 -0.109 0.000 1.407 61 I HN 0.791 nan 8.210 nan 0.000 0.497 62 E N 7.154 127.376 120.200 0.036 0.000 2.021 62 E HA -0.044 4.302 4.350 -0.007 0.000 0.189 62 E C 0.200 176.847 176.600 0.078 0.000 0.980 62 E CA 1.019 57.450 56.400 0.051 0.000 0.803 62 E CB 0.541 30.250 29.700 0.015 0.000 0.766 62 E HN 0.712 nan 8.360 nan 0.000 0.449 63 K N -1.392 119.009 120.400 0.001 0.000 2.607 63 K HA 0.461 4.777 4.320 -0.007 0.000 0.287 63 K C -1.638 174.903 176.600 -0.097 0.000 0.996 63 K CA -0.932 55.367 56.287 0.020 0.000 0.876 63 K CB 2.032 34.572 32.500 0.066 0.000 1.496 63 K HN -0.057 nan 8.250 nan 0.000 0.415 64 V N 1.128 121.013 119.914 -0.049 0.000 2.638 64 V HA 0.499 4.615 4.120 -0.007 0.000 0.306 64 V C -1.118 174.996 176.094 0.032 0.000 1.052 64 V CA -0.815 61.455 62.300 -0.050 0.000 0.885 64 V CB 1.775 33.545 31.823 -0.088 0.000 0.999 64 V HN 0.585 nan 8.190 nan 0.000 0.424 65 V N 6.113 126.043 119.914 0.027 0.000 2.525 65 V HA 0.572 4.688 4.120 -0.007 0.000 0.299 65 V C -0.552 175.563 176.094 0.034 0.000 1.034 65 V CA -0.313 62.009 62.300 0.036 0.000 0.863 65 V CB 1.898 33.741 31.823 0.034 0.000 0.999 65 V HN 0.727 nan 8.190 nan 0.000 0.423 66 I N 4.574 125.165 120.570 0.035 0.000 2.466 66 I HA 0.503 4.669 4.170 -0.007 0.000 0.289 66 I C -0.041 176.092 176.117 0.027 0.000 1.026 66 I CA -0.678 60.641 61.300 0.031 0.000 1.078 66 I CB 1.969 39.988 38.000 0.031 0.000 1.249 66 I HN 0.654 nan 8.210 nan 0.000 0.429 67 N N 4.888 123.602 118.700 0.023 0.000 2.740 67 N HA -0.186 4.549 4.740 -0.007 0.000 0.248 67 N C 0.837 176.359 175.510 0.019 0.000 1.062 67 N CA 1.254 54.315 53.050 0.019 0.000 0.704 67 N CB -1.076 37.421 38.487 0.016 0.000 0.968 67 N HN 1.206 nan 8.380 nan 0.000 0.547 68 G N -1.718 107.095 108.800 0.021 0.000 2.205 68 G HA2 -0.321 3.634 3.960 -0.007 0.000 0.261 68 G HA3 -0.321 3.634 3.960 -0.007 0.000 0.261 68 G C -0.224 174.690 174.900 0.023 0.000 0.980 68 G CA 0.729 45.842 45.100 0.020 0.000 0.632 68 G HN 0.481 nan 8.290 nan 0.000 0.533 69 Q N 0.315 120.131 119.800 0.026 0.000 2.394 69 Q HA 0.465 4.800 4.340 -0.007 0.000 0.273 69 Q C -0.248 175.775 176.000 0.039 0.000 1.089 69 Q CA -0.673 55.148 55.803 0.029 0.000 0.812 69 Q CB 1.654 30.408 28.738 0.026 0.000 1.353 69 Q HN 0.612 nan 8.270 nan 0.000 0.438 70 E N 0.891 121.118 120.200 0.045 0.000 2.398 70 E HA 0.297 4.643 4.350 -0.007 0.000 0.263 70 E C 0.083 176.726 176.600 0.071 0.000 1.046 70 E CA -0.229 56.210 56.400 0.064 0.000 0.908 70 E CB 0.944 30.688 29.700 0.072 0.000 0.963 70 E HN 0.401 nan 8.360 nan 0.000 0.431 71 V N -0.690 119.284 119.914 0.101 0.000 3.155 71 V HA 0.531 4.647 4.120 -0.007 0.000 0.313 71 V C -0.583 175.600 176.094 0.149 0.000 1.162 71 V CA -1.296 61.062 62.300 0.098 0.000 1.048 71 V CB 1.725 33.598 31.823 0.084 0.000 1.092 71 V HN 0.427 nan 8.190 nan 0.000 0.447 72 K N 1.321 121.781 120.400 0.101 0.000 2.218 72 K HA 0.650 4.966 4.320 -0.007 0.000 0.276 72 K C -1.029 175.662 176.600 0.150 0.000 1.022 72 K CA 0.003 56.326 56.287 0.061 0.000 0.946 72 K CB 0.959 33.456 32.500 -0.005 0.000 1.000 72 K HN 0.871 nan 8.250 nan 0.000 0.468 73 Y N -1.363 118.944 120.300 0.011 0.000 2.581 73 Y HA 0.758 5.303 4.550 -0.008 0.000 0.337 73 Y C -1.486 174.418 175.900 0.008 0.000 1.108 73 Y CA -1.538 56.568 58.100 0.010 0.000 1.033 73 Y CB 1.315 39.783 38.460 0.013 0.000 1.318 73 Y HN 0.485 nan 8.280 nan 0.000 0.459 74 A N 3.151 126.009 122.820 0.064 0.000 2.422 74 A HA 0.729 5.045 4.320 -0.007 0.000 0.302 74 A C -1.815 175.826 177.584 0.094 0.000 1.041 74 A CA -0.927 51.104 52.037 -0.010 0.000 0.708 74 A CB 1.331 20.309 19.000 -0.037 0.000 1.257 74 A HN 0.833 nan 8.150 nan 0.000 0.414 75 L N 2.896 124.168 121.223 0.083 0.000 2.265 75 L HA 0.494 4.830 4.340 -0.007 0.000 0.288 75 L C 1.197 178.086 176.870 0.032 0.000 1.058 75 L CA -0.426 54.460 54.840 0.077 0.000 0.809 75 L CB 1.249 43.363 42.059 0.091 0.000 1.179 75 L HN 0.936 nan 8.230 nan 0.000 0.429 76 G N 2.357 111.170 108.800 0.023 0.000 2.588 76 G HA2 0.143 4.099 3.960 -0.007 0.000 0.278 76 G HA3 0.143 4.099 3.960 -0.007 0.000 0.278 76 G C -0.378 174.523 174.900 0.002 0.000 1.307 76 G CA -0.416 44.688 45.100 0.007 0.000 1.016 76 G HN 0.657 nan 8.290 nan 0.000 0.503 77 E N -0.902 119.295 120.200 -0.006 0.000 2.373 77 E HA 0.239 4.584 4.350 -0.007 0.000 0.263 77 E C 0.573 177.162 176.600 -0.018 0.000 1.073 77 E CA -0.547 55.847 56.400 -0.009 0.000 0.894 77 E CB 0.635 30.329 29.700 -0.011 0.000 1.008 77 E HN 0.376 nan 8.360 nan 0.000 0.420 78 R N 2.117 122.606 120.500 -0.019 0.000 2.491 78 R HA 0.001 4.336 4.340 -0.007 0.000 0.283 78 R C -0.351 175.918 176.300 -0.051 0.000 1.072 78 R CA 0.359 56.440 56.100 -0.031 0.000 1.048 78 R CB 0.456 30.744 30.300 -0.020 0.000 0.983 78 R HN 0.566 nan 8.270 nan 0.000 0.450 79 Q N 3.172 122.920 119.800 -0.088 0.000 2.824 79 Q HA 0.128 4.464 4.340 -0.007 0.000 0.371 79 Q C -0.097 175.771 176.000 -0.219 0.000 1.071 79 Q CA -0.266 55.457 55.803 -0.133 0.000 1.064 79 Q CB 1.116 29.768 28.738 -0.145 0.000 1.332 79 Q HN 0.956 nan 8.270 nan 0.000 0.445 80 S N 0.581 116.202 115.700 -0.132 0.000 4.064 80 S HA -0.346 4.120 4.470 -0.007 0.000 0.625 80 S C 0.868 175.401 174.600 -0.110 0.000 2.010 80 S CA 1.774 59.916 58.200 -0.097 0.000 4.186 80 S CB -1.206 61.945 63.200 -0.082 0.000 0.211 80 S HN 0.832 nan 8.310 nan 0.000 0.605 81 Y N 1.194 121.492 120.300 -0.004 0.000 2.574 81 Y HA 0.349 4.892 4.550 -0.011 0.000 0.294 81 Y C 1.886 177.758 175.900 -0.046 0.000 1.142 81 Y CA 1.161 59.249 58.100 -0.020 0.000 1.314 81 Y CB -0.409 38.034 38.460 -0.027 0.000 0.991 81 Y HN 0.367 nan 8.280 nan 0.000 0.555 82 K N 0.901 120.984 120.400 -0.528 0.000 2.296 82 K HA 0.249 4.565 4.320 -0.007 0.000 0.200 82 K C 1.325 177.842 176.600 -0.139 0.000 1.048 82 K CA 0.547 56.655 56.287 -0.297 0.000 0.966 82 K CB -0.173 32.104 32.500 -0.371 0.000 0.754 82 K HN 0.592 nan 8.250 nan 0.000 0.466 83 G N 0.802 109.531 108.800 -0.119 0.000 2.542 83 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.235 83 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.235 83 G C -0.744 174.121 174.900 -0.057 0.000 1.286 83 G CA -0.434 44.631 45.100 -0.058 0.000 0.904 83 G HN 0.177 nan 8.290 nan 0.000 0.577 84 S N 2.808 118.489 115.700 -0.032 0.000 2.473 84 S HA 0.714 5.180 4.470 -0.007 0.000 0.307 84 S C -2.590 172.002 174.600 -0.013 0.000 1.094 84 S CA -0.759 57.429 58.200 -0.020 0.000 1.070 84 S CB 2.478 65.677 63.200 -0.001 0.000 1.019 84 S HN 0.745 nan 8.310 nan 0.000 0.480 85 P HA 0.214 nan 4.420 nan 0.000 0.280 85 P C -0.972 176.339 177.300 0.018 0.000 1.244 85 P CA -0.432 62.666 63.100 -0.002 0.000 0.784 85 P CB 0.506 32.203 31.700 -0.005 0.000 0.913 86 M N 2.626 122.240 119.600 0.022 0.000 2.044 86 M HA 0.240 4.715 4.480 -0.007 0.000 0.333 86 M C -0.196 176.139 176.300 0.058 0.000 1.004 86 M CA -0.482 54.850 55.300 0.054 0.000 0.954 86 M CB 0.553 33.172 32.600 0.031 0.000 1.468 86 M HN 0.316 nan 8.290 nan 0.000 0.414 87 E N 4.921 125.166 120.200 0.076 0.000 2.194 87 E HA 0.377 4.723 4.350 -0.007 0.000 0.284 87 E C -1.284 175.377 176.600 0.102 0.000 1.035 87 E CA -0.297 56.142 56.400 0.065 0.000 0.836 87 E CB 0.991 30.717 29.700 0.044 0.000 1.070 87 E HN 0.690 nan 8.360 nan 0.000 0.401 88 I N 2.837 123.456 120.570 0.082 0.000 2.377 88 I HA 0.152 4.317 4.170 -0.007 0.000 0.293 88 I C -0.063 176.097 176.117 0.071 0.000 0.987 88 I CA -0.541 60.820 61.300 0.101 0.000 1.185 88 I CB 1.982 40.025 38.000 0.071 0.000 1.341 88 I HN 0.344 nan 8.210 nan 0.000 0.455 89 S N 6.892 122.638 115.700 0.077 0.000 2.399 89 S HA 0.428 4.893 4.470 -0.007 0.000 0.301 89 S C -0.016 174.611 174.600 0.046 0.000 1.093 89 S CA -0.614 57.616 58.200 0.050 0.000 1.077 89 S CB 0.074 63.298 63.200 0.040 0.000 0.980 89 S HN 0.314 nan 8.310 nan 0.000 0.494 90 L N 5.954 127.198 121.223 0.035 0.000 2.416 90 L HA 0.186 4.522 4.340 -0.007 0.000 0.272 90 L C -0.886 175.999 176.870 0.026 0.000 1.161 90 L CA -1.371 53.487 54.840 0.030 0.000 0.845 90 L CB 0.279 42.352 42.059 0.024 0.000 1.119 90 L HN 0.434 nan 8.230 nan 0.000 0.464 91 P HA 0.032 nan 4.420 nan 0.000 0.222 91 P C 0.122 177.432 177.300 0.017 0.000 1.153 91 P CA 1.165 64.278 63.100 0.022 0.000 0.798 91 P CB 0.517 32.230 31.700 0.023 0.000 0.796 92 I N -0.861 119.718 120.570 0.015 0.000 2.607 92 I HA 0.425 4.590 4.170 -0.007 0.000 0.290 92 I C -0.126 175.998 176.117 0.012 0.000 1.129 92 I CA -1.587 59.720 61.300 0.012 0.000 1.042 92 I CB 2.182 40.188 38.000 0.010 0.000 1.242 92 I HN -0.215 nan 8.210 nan 0.000 0.421 93 A N 7.077 129.903 122.820 0.010 0.000 2.531 93 A HA 0.471 4.787 4.320 -0.007 0.000 0.236 93 A C -0.310 177.279 177.584 0.008 0.000 1.062 93 A CA 0.279 52.322 52.037 0.009 0.000 0.760 93 A CB 0.179 19.183 19.000 0.008 0.000 0.995 93 A HN 0.676 nan 8.150 nan 0.000 0.501 94 L N 1.892 123.120 121.223 0.008 0.000 2.331 94 L HA 0.391 4.727 4.340 -0.007 0.000 0.275 94 L C 0.677 177.551 176.870 0.006 0.000 1.022 94 L CA -0.485 54.359 54.840 0.007 0.000 0.812 94 L CB 1.786 43.850 42.059 0.008 0.000 1.257 94 L HN 0.699 nan 8.230 nan 0.000 0.435 95 S N 0.940 116.642 115.700 0.004 0.000 2.632 95 S HA 0.171 4.637 4.470 -0.007 0.000 0.267 95 S C -0.053 174.548 174.600 0.003 0.000 1.276 95 S CA -0.567 57.635 58.200 0.003 0.000 0.998 95 S CB 1.046 64.247 63.200 0.001 0.000 0.953 95 S HN 0.418 nan 8.310 nan 0.000 0.547 96 K N 1.704 122.105 120.400 0.002 0.000 2.511 96 K HA -0.065 4.251 4.320 -0.007 0.000 0.280 96 K C 0.034 176.634 176.600 0.000 0.000 1.008 96 K CA 0.438 56.726 56.287 0.002 0.000 1.050 96 K CB -0.056 32.445 32.500 0.001 0.000 0.889 96 K HN 0.618 nan 8.250 nan 0.000 0.484 97 N N 1.216 119.916 118.700 0.000 0.000 2.965 97 N HA -0.231 4.505 4.740 -0.007 0.000 0.232 97 N C -0.451 175.058 175.510 -0.001 0.000 0.913 97 N CA 1.009 54.058 53.050 -0.002 0.000 0.981 97 N CB -0.924 37.560 38.487 -0.004 0.000 1.077 97 N HN 0.794 nan 8.380 nan 0.000 0.589 98 Q N 1.143 120.943 119.800 0.001 0.000 2.327 98 Q HA 0.258 4.593 4.340 -0.007 0.000 0.254 98 Q C -0.641 175.361 176.000 0.003 0.000 0.952 98 Q CA 0.183 55.987 55.803 0.001 0.000 0.884 98 Q CB 0.700 29.439 28.738 0.002 0.000 1.224 98 Q HN 0.155 nan 8.270 nan 0.000 0.422 99 E N 3.771 123.972 120.200 0.003 0.000 2.183 99 E HA 0.476 4.822 4.350 -0.007 0.000 0.271 99 E C -0.740 175.865 176.600 0.009 0.000 0.919 99 E CA -0.623 55.781 56.400 0.006 0.000 0.781 99 E CB 1.550 31.252 29.700 0.004 0.000 1.140 99 E HN 0.607 nan 8.360 nan 0.000 0.402 100 I N -1.830 118.749 120.570 0.015 0.000 3.042 100 I HA 0.604 4.770 4.170 -0.007 0.000 0.310 100 I C -0.782 175.351 176.117 0.026 0.000 1.117 100 I CA -1.356 59.954 61.300 0.017 0.000 1.003 100 I CB 1.760 39.771 38.000 0.018 0.000 1.228 100 I HN 0.117 nan 8.210 nan 0.000 0.443 101 V N 4.419 124.350 119.914 0.028 0.000 2.394 101 V HA 0.459 4.574 4.120 -0.007 0.000 0.282 101 V C 0.000 176.118 176.094 0.039 0.000 1.031 101 V CA -0.307 62.018 62.300 0.041 0.000 0.881 101 V CB 1.207 33.056 31.823 0.044 0.000 0.982 101 V HN 0.476 nan 8.190 nan 0.000 0.451 102 I N 4.007 124.602 120.570 0.042 0.000 2.382 102 I HA 0.419 4.585 4.170 -0.007 0.000 0.286 102 I C 0.044 176.184 176.117 0.039 0.000 1.002 102 I CA -0.298 61.022 61.300 0.033 0.000 1.135 102 I CB 1.669 39.682 38.000 0.021 0.000 1.288 102 I HN 0.632 nan 8.210 nan 0.000 0.448 103 E N 7.352 127.577 120.200 0.041 0.000 2.055 103 E HA 0.476 4.822 4.350 -0.007 0.000 0.274 103 E C -1.036 175.588 176.600 0.039 0.000 0.949 103 E CA -0.538 55.895 56.400 0.054 0.000 0.775 103 E CB 0.934 30.670 29.700 0.061 0.000 1.097 103 E HN 0.492 nan 8.360 nan 0.000 0.404 104 I N 3.186 123.789 120.570 0.056 0.000 2.339 104 I HA 0.194 4.360 4.170 -0.007 0.000 0.290 104 I C -0.121 176.098 176.117 0.169 0.000 0.994 104 I CA -0.517 60.813 61.300 0.050 0.000 1.191 104 I CB 1.878 39.874 38.000 -0.005 0.000 1.343 104 I HN 0.331 nan 8.210 nan 0.000 0.458 105 S N 6.952 122.700 115.700 0.080 0.000 2.475 105 S HA 0.684 5.149 4.470 -0.007 0.000 0.281 105 S C -0.547 174.096 174.600 0.071 0.000 1.198 105 S CA -0.449 57.771 58.200 0.033 0.000 1.063 105 S CB 0.336 63.525 63.200 -0.018 0.000 0.972 105 S HN 0.477 nan 8.310 nan 0.000 0.486 106 F N 0.406 120.327 119.950 -0.047 0.000 2.686 106 F HA 0.786 5.309 4.527 -0.007 0.000 0.311 106 F C -0.973 174.811 175.800 -0.026 0.000 1.128 106 F CA -1.105 56.868 58.000 -0.045 0.000 0.946 106 F CB 1.351 40.318 39.000 -0.056 0.000 1.336 106 F HN 0.465 nan 8.300 nan 0.000 0.457 107 E N 1.072 121.322 120.200 0.083 0.000 2.308 107 E HA 0.425 4.771 4.350 -0.007 0.000 0.275 107 E C -1.288 175.428 176.600 0.194 0.000 0.890 107 E CA -0.883 55.523 56.400 0.010 0.000 0.754 107 E CB 2.307 31.983 29.700 -0.041 0.000 1.207 107 E HN 0.951 nan 8.360 nan 0.000 0.426 108 T N 0.952 115.625 114.554 0.198 0.000 2.868 108 T HA 0.232 4.578 4.350 -0.007 0.000 0.292 108 T C 0.511 175.267 174.700 0.095 0.000 1.028 108 T CA -0.632 61.573 62.100 0.174 0.000 1.059 108 T CB 1.512 70.499 68.868 0.199 0.000 0.991 108 T HN 0.302 nan 8.240 nan 0.000 0.531 109 S N 1.884 117.631 115.700 0.077 0.000 2.592 109 S HA 0.291 4.756 4.470 -0.007 0.000 0.271 109 S C -1.523 173.099 174.600 0.038 0.000 1.326 109 S CA -1.535 56.686 58.200 0.035 0.000 1.024 109 S CB 0.266 63.484 63.200 0.031 0.000 0.921 109 S HN 0.597 nan 8.310 nan 0.000 0.527 110 P HA 0.003 nan 4.420 nan 0.000 0.221 110 P C 0.454 177.762 177.300 0.014 0.000 1.145 110 P CA 0.961 63.999 63.100 -0.104 0.000 0.795 110 P CB 0.159 31.754 31.700 -0.175 0.000 0.775 111 K N -1.180 119.231 120.400 0.019 0.000 2.404 111 K HA 0.137 4.453 4.320 -0.007 0.000 0.194 111 K C 0.376 176.994 176.600 0.030 0.000 1.023 111 K CA -0.072 56.227 56.287 0.019 0.000 1.094 111 K CB -0.766 31.738 32.500 0.006 0.000 0.841 111 K HN -0.077 nan 8.250 nan 0.000 0.523 112 S N 1.058 116.795 115.700 0.062 0.000 3.116 112 S HA -0.119 4.346 4.470 -0.007 0.000 0.367 112 S C 1.221 175.815 174.600 -0.010 0.000 1.202 112 S CA 0.418 58.650 58.200 0.053 0.000 1.018 112 S CB 0.131 63.382 63.200 0.085 0.000 0.726 112 S HN 0.484 nan 8.310 nan 0.000 0.506 113 S N 4.211 119.919 115.700 0.013 0.000 2.522 113 S HA 0.086 4.552 4.470 -0.007 0.000 0.227 113 S C 1.699 176.149 174.600 -0.251 0.000 0.986 113 S CA 0.346 58.506 58.200 -0.067 0.000 0.929 113 S CB -0.184 63.087 63.200 0.119 0.000 0.769 113 S HN 0.925 nan 8.310 nan 0.000 0.529 114 A N 0.856 123.619 122.820 -0.095 0.000 2.169 114 A HA 0.493 4.809 4.320 -0.007 0.000 0.212 114 A C 0.735 178.244 177.584 -0.124 0.000 1.153 114 A CA 0.187 52.173 52.037 -0.084 0.000 0.756 114 A CB -0.195 18.824 19.000 0.031 0.000 0.813 114 A HN 0.542 nan 8.150 nan 0.000 0.471 115 L N -0.714 120.378 121.223 -0.217 0.000 2.370 115 L HA 0.484 4.820 4.340 -0.007 0.000 0.266 115 L C -0.406 176.158 176.870 -0.509 0.000 1.002 115 L CA -0.528 54.099 54.840 -0.354 0.000 0.818 115 L CB 2.061 43.920 42.059 -0.334 0.000 1.325 115 L HN 0.243 nan 8.230 nan 0.000 0.418 116 Q N 1.511 120.864 119.800 -0.744 0.000 2.321 116 Q HA 0.370 4.706 4.340 -0.007 0.000 0.270 116 Q C -2.016 173.682 176.000 -0.504 0.000 1.032 116 Q CA -0.644 54.780 55.803 -0.631 0.000 0.784 116 Q CB 1.924 30.220 28.738 -0.737 0.000 1.264 116 Q HN 0.496 nan 8.270 nan 0.000 0.448 117 W N 4.850 126.059 121.300 -0.152 0.000 2.391 117 W HA 0.512 5.167 4.660 -0.008 0.000 0.311 117 W C -0.783 175.782 176.519 0.076 0.000 1.087 117 W CA -0.426 56.924 57.345 0.009 0.000 1.209 117 W CB 0.936 30.403 29.460 0.010 0.000 1.273 117 W HN 0.397 nan 8.180 nan 0.000 0.482 118 L N 3.592 125.044 121.223 0.382 0.000 2.346 118 L HA 0.542 4.878 4.340 -0.007 0.000 0.276 118 L C 0.827 177.858 176.870 0.269 0.000 1.006 118 L CA -1.087 53.917 54.840 0.274 0.000 0.817 118 L CB 1.531 43.730 42.059 0.232 0.000 1.272 118 L HN 0.452 nan 8.230 nan 0.000 0.421 119 T N -1.040 113.622 114.554 0.180 0.000 2.748 119 T HA 0.158 4.503 4.350 -0.007 0.000 0.304 119 T C -1.935 172.826 174.700 0.102 0.000 1.041 119 T CA -1.202 60.975 62.100 0.129 0.000 1.033 119 T CB 0.797 69.714 68.868 0.082 0.000 0.995 119 T HN 0.345 nan 8.240 nan 0.000 0.536 120 P HA -0.056 nan 4.420 nan 0.000 0.215 120 P C 1.459 178.781 177.300 0.037 0.000 1.153 120 P CA 0.826 63.951 63.100 0.042 0.000 0.853 120 P CB 0.031 31.729 31.700 -0.005 0.000 0.788 121 E N -0.575 119.643 120.200 0.031 0.000 2.409 121 E HA -0.147 4.199 4.350 -0.007 0.000 0.198 121 E C 1.714 178.337 176.600 0.038 0.000 1.024 121 E CA 0.828 57.245 56.400 0.027 0.000 0.861 121 E CB -0.548 29.163 29.700 0.019 0.000 0.788 121 E HN 0.478 nan 8.360 nan 0.000 0.521 122 Q N 0.222 120.055 119.800 0.054 0.000 2.425 122 Q HA 0.006 4.342 4.340 -0.007 0.000 0.204 122 Q C 0.778 176.798 176.000 0.033 0.000 0.933 122 Q CA 0.489 56.328 55.803 0.059 0.000 0.939 122 Q CB 0.356 29.146 28.738 0.087 0.000 1.044 122 Q HN 0.263 nan 8.270 nan 0.000 0.513 123 T N -4.315 110.256 114.554 0.028 0.000 2.880 123 T HA 0.289 4.635 4.350 -0.007 0.000 0.279 123 T C 1.105 175.809 174.700 0.007 0.000 0.990 123 T CA -0.549 61.550 62.100 -0.003 0.000 0.938 123 T CB 1.517 70.414 68.868 0.048 0.000 1.206 123 T HN -0.188 nan 8.240 nan 0.000 0.573 124 S N -0.051 115.653 115.700 0.006 0.000 2.357 124 S HA 0.124 4.590 4.470 -0.007 0.000 0.221 124 S C 2.220 176.840 174.600 0.034 0.000 1.031 124 S CA 0.997 59.209 58.200 0.020 0.000 0.982 124 S CB -0.924 62.290 63.200 0.023 0.000 0.853 124 S HN 0.931 nan 8.310 nan 0.000 0.458 125 G N 0.623 109.457 108.800 0.056 0.000 2.551 125 G HA2 -0.018 3.938 3.960 -0.007 0.000 0.216 125 G HA3 -0.018 3.938 3.960 -0.007 0.000 0.216 125 G C 0.398 175.310 174.900 0.020 0.000 1.137 125 G CA 0.385 45.518 45.100 0.055 0.000 0.798 125 G HN 0.295 nan 8.290 nan 0.000 0.536 126 K N -0.864 119.547 120.400 0.018 0.000 3.500 126 K HA -0.214 4.102 4.320 -0.007 0.000 0.313 126 K C 0.864 177.429 176.600 -0.059 0.000 1.338 126 K CA 1.552 57.834 56.287 -0.008 0.000 0.963 126 K CB -1.579 30.915 32.500 -0.009 0.000 1.267 126 K HN 0.597 nan 8.250 nan 0.000 0.448 127 E N -0.365 119.766 120.200 -0.116 0.000 2.434 127 E HA 0.073 4.419 4.350 -0.007 0.000 0.207 127 E C -0.076 176.212 176.600 -0.520 0.000 0.929 127 E CA 0.071 56.269 56.400 -0.337 0.000 1.001 127 E CB 0.549 29.983 29.700 -0.444 0.000 1.016 127 E HN 0.353 nan 8.360 nan 0.000 0.502 128 H N -0.312 118.755 119.070 -0.005 0.000 2.930 128 H HA 0.282 4.834 4.556 -0.007 0.000 0.371 128 H C -2.517 172.782 175.328 -0.049 0.000 1.169 128 H CA -2.079 53.938 56.048 -0.051 0.000 1.157 128 H CB 1.600 31.334 29.762 -0.046 0.000 1.789 128 H HN 0.035 nan 8.280 nan 0.000 0.547 129 P HA 0.149 nan 4.420 nan 0.000 0.277 129 P C -1.012 176.305 177.300 0.029 0.000 1.276 129 P CA -0.116 62.950 63.100 -0.056 0.000 0.788 129 P CB 1.539 33.038 31.700 -0.335 0.000 1.114 130 Y N -0.855 119.527 120.300 0.137 0.000 2.521 130 Y HA 0.507 5.053 4.550 -0.007 0.000 0.332 130 Y C -1.638 174.475 175.900 0.356 0.000 1.121 130 Y CA -1.035 57.208 58.100 0.238 0.000 1.037 130 Y CB 1.532 40.097 38.460 0.176 0.000 1.330 130 Y HN 0.256 nan 8.280 nan 0.000 0.452 131 L N 7.367 128.732 121.223 0.236 0.000 2.386 131 L HA 0.801 5.137 4.340 -0.007 0.000 0.271 131 L C -1.850 174.988 176.870 -0.053 0.000 0.993 131 L CA -0.877 53.873 54.840 -0.149 0.000 0.819 131 L CB 1.360 43.044 42.059 -0.626 0.000 1.294 131 L HN 0.466 nan 8.230 nan 0.000 0.414 132 F N 1.818 121.726 119.950 -0.071 0.000 2.601 132 F HA 0.881 5.403 4.527 -0.008 0.000 0.309 132 F C -0.550 175.272 175.800 0.037 0.000 1.089 132 F CA -0.658 57.363 58.000 0.035 0.000 0.940 132 F CB 1.193 40.321 39.000 0.214 0.000 1.273 132 F HN 0.596 nan 8.300 nan 0.000 0.450 133 S N 1.787 117.688 115.700 0.334 0.000 2.651 133 S HA 0.730 5.196 4.470 -0.007 0.000 0.291 133 S C -0.840 174.015 174.600 0.425 0.000 1.141 133 S CA -0.527 57.803 58.200 0.218 0.000 1.027 133 S CB 1.815 65.051 63.200 0.060 0.000 1.043 133 S HN 0.956 nan 8.310 nan 0.000 0.530 134 Q N 0.834 120.791 119.800 0.262 0.000 2.961 134 Q HA 0.399 4.735 4.340 -0.007 0.000 0.223 134 Q C -0.676 175.394 176.000 0.117 0.000 0.859 134 Q CA -0.469 55.477 55.803 0.238 0.000 0.771 134 Q CB 0.092 29.022 28.738 0.319 0.000 1.389 134 Q HN 0.769 nan 8.270 nan 0.000 0.460 135 C N 1.712 121.069 119.300 0.095 0.000 2.485 135 C HA 0.143 4.599 4.460 -0.007 0.000 0.277 135 C C 1.084 176.154 174.990 0.134 0.000 1.376 135 C CA 0.082 59.178 59.018 0.129 0.000 1.759 135 C CB -0.257 27.535 27.740 0.087 0.000 1.970 135 C HN 0.732 nan 8.230 nan 0.000 0.509 136 Q N 0.286 120.119 119.800 0.054 0.000 2.311 136 Q HA 0.325 4.660 4.340 -0.007 0.000 0.272 136 Q C 0.867 176.714 176.000 -0.255 0.000 1.012 136 Q CA 0.158 55.859 55.803 -0.170 0.000 0.891 136 Q CB 0.941 29.528 28.738 -0.253 0.000 1.201 136 Q HN 0.522 nan 8.270 nan 0.000 0.391 137 A N 4.735 127.215 122.820 -0.567 0.000 1.901 137 A HA 0.051 4.367 4.320 -0.007 0.000 0.210 137 A C 1.160 178.459 177.584 -0.475 0.000 1.208 137 A CA 0.720 52.098 52.037 -1.097 0.000 0.644 137 A CB 0.086 17.861 19.000 -2.042 0.000 0.863 137 A HN 0.812 nan 8.150 nan 0.000 0.454 138 I N -4.827 115.467 120.570 -0.460 0.000 3.061 138 I HA 0.433 4.598 4.170 -0.007 0.000 0.341 138 I C 0.115 176.013 176.117 -0.365 0.000 1.457 138 I CA -0.320 60.823 61.300 -0.261 0.000 0.921 138 I CB 0.117 38.013 38.000 -0.173 0.000 1.845 138 I HN 0.130 nan 8.210 nan 0.000 0.535 139 H N -0.352 118.698 119.070 -0.033 0.000 2.652 139 H HA 0.164 4.716 4.556 -0.007 0.000 0.274 139 H C 1.848 177.167 175.328 -0.015 0.000 1.021 139 H CA 0.110 56.148 56.048 -0.017 0.000 1.187 139 H CB 0.711 30.464 29.762 -0.015 0.000 1.505 139 H HN 0.670 nan 8.280 nan 0.000 0.530 140 C N 2.294 121.639 119.300 0.077 0.000 2.413 140 C HA -0.153 4.302 4.460 -0.007 0.000 0.277 140 C C 2.998 177.968 174.990 -0.032 0.000 1.265 140 C CA 1.216 60.242 59.018 0.014 0.000 1.752 140 C CB -0.699 27.042 27.740 0.001 0.000 1.998 140 C HN 0.628 nan 8.230 nan 0.000 0.489 141 R N 1.031 121.516 120.500 -0.025 0.000 2.193 141 R HA -0.021 4.314 4.340 -0.007 0.000 0.229 141 R C 1.879 178.148 176.300 -0.052 0.000 1.110 141 R CA 1.666 57.733 56.100 -0.056 0.000 0.988 141 R CB -0.703 29.574 30.300 -0.039 0.000 0.871 141 R HN 0.493 nan 8.270 nan 0.000 0.458 142 A N 0.919 123.738 122.820 -0.001 0.000 2.208 142 A HA 0.184 4.499 4.320 -0.007 0.000 0.209 142 A C 1.825 179.416 177.584 0.011 0.000 1.161 142 A CA 0.337 52.390 52.037 0.027 0.000 0.782 142 A CB -0.111 18.943 19.000 0.091 0.000 0.816 142 A HN 0.332 nan 8.150 nan 0.000 0.477 143 I N -1.313 119.235 120.570 -0.035 0.000 3.300 143 I HA 0.210 4.376 4.170 -0.007 0.000 0.279 143 I C 0.002 175.999 176.117 -0.200 0.000 1.172 143 I CA 0.269 61.545 61.300 -0.040 0.000 1.431 143 I CB 0.332 38.305 38.000 -0.044 0.000 1.240 143 I HN 0.336 nan 8.210 nan 0.000 0.453 144 L N -2.780 118.229 121.223 -0.356 0.000 2.540 144 L HA 0.682 5.018 4.340 -0.007 0.000 0.256 144 L C -3.204 173.376 176.870 -0.484 0.000 1.001 144 L CA -2.030 52.357 54.840 -0.754 0.000 0.843 144 L CB 0.716 42.375 42.059 -0.668 0.000 1.436 144 L HN -0.292 nan 8.230 nan 0.000 0.410 145 P HA 0.417 nan 4.420 nan 0.000 0.276 145 P C -0.922 176.259 177.300 -0.198 0.000 1.243 145 P CA -0.303 62.633 63.100 -0.273 0.000 0.768 145 P CB 0.630 32.188 31.700 -0.237 0.000 0.856 146 C N 0.880 120.103 119.300 -0.129 0.000 3.321 146 C HA 0.418 4.874 4.460 -0.007 0.000 0.329 146 C C -0.777 174.184 174.990 -0.048 0.000 1.394 146 C CA -0.970 57.995 59.018 -0.088 0.000 1.291 146 C CB 0.884 28.567 27.740 -0.095 0.000 1.606 146 C HN 0.443 nan 8.230 nan 0.000 0.463 147 Q N 1.147 120.931 119.800 -0.027 0.000 2.402 147 Q HA 0.204 4.539 4.340 -0.007 0.000 0.238 147 Q C -0.630 175.377 176.000 0.011 0.000 1.126 147 Q CA 0.308 56.108 55.803 -0.006 0.000 0.904 147 Q CB 0.393 29.131 28.738 -0.001 0.000 1.357 147 Q HN 0.617 nan 8.270 nan 0.000 0.491 148 D N 2.563 122.977 120.400 0.024 0.000 2.713 148 D HA 0.051 4.687 4.640 -0.007 0.000 0.229 148 D C -0.996 175.376 176.300 0.120 0.000 1.136 148 D CA 0.238 54.275 54.000 0.062 0.000 1.010 148 D CB 0.158 40.984 40.800 0.043 0.000 1.084 148 D HN 0.315 nan 8.370 nan 0.000 0.495 149 T N 0.718 115.333 114.554 0.102 0.000 3.032 149 T HA 0.351 4.697 4.350 -0.007 0.000 0.312 149 T C -2.410 172.310 174.700 0.034 0.000 1.078 149 T CA -1.583 60.558 62.100 0.068 0.000 1.028 149 T CB 1.977 70.857 68.868 0.020 0.000 1.091 149 T HN -0.101 nan 8.240 nan 0.000 0.457 150 P HA 0.053 nan 4.420 nan 0.000 0.242 150 P C 1.058 178.310 177.300 -0.080 0.000 1.197 150 P CA 0.313 63.380 63.100 -0.055 0.000 0.765 150 P CB -0.081 31.419 31.700 -0.333 0.000 0.936 151 S N -1.814 113.839 115.700 -0.079 0.000 2.603 151 S HA 0.110 4.576 4.470 -0.007 0.000 0.220 151 S C 0.677 175.262 174.600 -0.025 0.000 0.967 151 S CA -0.159 58.007 58.200 -0.057 0.000 0.920 151 S CB -0.492 62.679 63.200 -0.049 0.000 0.773 151 S HN -0.082 nan 8.310 nan 0.000 0.529 152 V N 1.774 121.680 119.914 -0.012 0.000 2.487 152 V HA 0.477 4.593 4.120 -0.007 0.000 0.298 152 V C -0.581 175.515 176.094 0.004 0.000 1.028 152 V CA -0.777 61.523 62.300 0.000 0.000 0.860 152 V CB 1.904 33.730 31.823 0.004 0.000 0.991 152 V HN 0.238 nan 8.190 nan 0.000 0.427 153 K N 5.512 125.919 120.400 0.012 0.000 2.270 153 K HA 0.853 5.169 4.320 -0.007 0.000 0.255 153 K C -1.163 175.456 176.600 0.032 0.000 0.936 153 K CA -0.656 55.645 56.287 0.022 0.000 0.809 153 K CB 2.430 34.953 32.500 0.039 0.000 1.131 153 K HN 0.647 nan 8.250 nan 0.000 0.427 154 L N -1.421 119.828 121.223 0.043 0.000 2.376 154 L HA 0.644 4.980 4.340 -0.007 0.000 0.258 154 L C -0.045 176.875 176.870 0.084 0.000 1.013 154 L CA -0.973 53.902 54.840 0.058 0.000 0.822 154 L CB 1.793 43.875 42.059 0.040 0.000 1.388 154 L HN 0.603 nan 8.230 nan 0.000 0.413 155 T N -1.471 113.147 114.554 0.107 0.000 2.881 155 T HA 0.729 5.074 4.350 -0.007 0.000 0.278 155 T C -0.672 174.013 174.700 -0.024 0.000 0.982 155 T CA -0.330 61.836 62.100 0.109 0.000 0.989 155 T CB 1.296 70.288 68.868 0.208 0.000 1.058 155 T HN 0.950 nan 8.240 nan 0.000 0.529 156 Y N -1.728 118.459 120.300 -0.189 0.000 2.624 156 Y HA 0.691 5.237 4.550 -0.007 0.000 0.334 156 Y C -1.002 174.855 175.900 -0.073 0.000 1.155 156 Y CA -1.154 56.712 58.100 -0.390 0.000 1.046 156 Y CB 0.984 39.305 38.460 -0.232 0.000 1.316 156 Y HN 1.042 nan 8.280 nan 0.000 0.457 157 T N 0.200 114.905 114.554 0.253 0.000 2.903 157 T HA 0.987 5.333 4.350 -0.007 0.000 0.299 157 T C -0.868 174.070 174.700 0.397 0.000 1.093 157 T CA -0.338 61.995 62.100 0.388 0.000 1.002 157 T CB 1.718 70.910 68.868 0.541 0.000 1.127 157 T HN 1.692 nan 8.240 nan 0.000 0.488 158 A N 1.213 124.244 122.820 0.352 0.000 2.594 158 A HA 0.773 5.088 4.320 -0.007 0.000 0.295 158 A C -1.419 176.317 177.584 0.254 0.000 1.071 158 A CA -0.969 51.189 52.037 0.202 0.000 0.685 158 A CB 1.532 20.710 19.000 0.297 0.000 1.285 158 A HN 0.846 nan 8.150 nan 0.000 0.405 159 E N 0.715 120.991 120.200 0.127 0.000 2.265 159 E HA 0.509 4.855 4.350 -0.007 0.000 0.262 159 E C -1.580 175.107 176.600 0.145 0.000 0.889 159 E CA -0.651 55.838 56.400 0.148 0.000 0.789 159 E CB 2.383 32.149 29.700 0.111 0.000 1.221 159 E HN 0.343 nan 8.360 nan 0.000 0.414 160 V N 2.212 122.262 119.914 0.226 0.000 2.407 160 V HA 0.263 4.378 4.120 -0.007 0.000 0.291 160 V C -0.080 176.134 176.094 0.200 0.000 1.018 160 V CA -0.668 61.758 62.300 0.209 0.000 0.842 160 V CB 1.604 33.589 31.823 0.271 0.000 0.996 160 V HN 0.594 nan 8.190 nan 0.000 0.426 161 S N 4.698 120.473 115.700 0.126 0.000 2.499 161 S HA 0.806 5.271 4.470 -0.007 0.000 0.279 161 S C -0.500 174.186 174.600 0.143 0.000 1.219 161 S CA -0.341 57.931 58.200 0.121 0.000 1.062 161 S CB 1.156 64.397 63.200 0.069 0.000 0.978 161 S HN 1.200 nan 8.310 nan 0.000 0.489 162 V N 1.974 121.998 119.914 0.184 0.000 3.147 162 V HA 0.716 4.832 4.120 -0.007 0.000 0.306 162 V C -3.118 173.099 176.094 0.204 0.000 1.209 162 V CA -2.811 59.624 62.300 0.224 0.000 1.023 162 V CB 1.125 33.105 31.823 0.262 0.000 1.059 162 V HN 0.631 nan 8.190 nan 0.000 0.435 163 P HA 0.068 nan 4.420 nan 0.000 0.260 163 P C 0.682 178.054 177.300 0.120 0.000 1.172 163 P CA 0.344 63.535 63.100 0.152 0.000 0.760 163 P CB 0.328 32.114 31.700 0.143 0.000 0.773 164 K N 4.364 124.817 120.400 0.088 0.000 2.286 164 K HA -0.204 4.112 4.320 -0.007 0.000 0.203 164 K C 1.011 177.650 176.600 0.065 0.000 1.045 164 K CA 1.440 57.770 56.287 0.072 0.000 0.935 164 K CB -0.241 32.283 32.500 0.041 0.000 0.737 164 K HN 0.424 nan 8.250 nan 0.000 0.460 165 E N 1.304 121.521 120.200 0.029 0.000 2.489 165 E HA 0.044 4.390 4.350 -0.007 0.000 0.193 165 E C 0.499 177.023 176.600 -0.125 0.000 1.057 165 E CA 0.030 56.408 56.400 -0.037 0.000 0.866 165 E CB -0.042 29.633 29.700 -0.042 0.000 0.916 165 E HN 0.371 nan 8.360 nan 0.000 0.500 166 L N 0.755 121.949 121.223 -0.049 0.000 2.365 166 L HA 0.495 4.830 4.340 -0.007 0.000 0.267 166 L C -0.192 176.710 176.870 0.054 0.000 1.033 166 L CA -1.296 53.511 54.840 -0.055 0.000 0.802 166 L CB 1.882 43.914 42.059 -0.045 0.000 1.267 166 L HN -0.216 nan 8.230 nan 0.000 0.457 167 V N 0.619 120.485 119.914 -0.080 0.000 2.540 167 V HA 0.618 4.734 4.120 -0.007 0.000 0.302 167 V C 0.022 175.825 176.094 -0.484 0.000 1.035 167 V CA -0.623 61.495 62.300 -0.302 0.000 0.873 167 V CB 1.631 33.355 31.823 -0.164 0.000 0.992 167 V HN 0.849 nan 8.190 nan 0.000 0.428 168 A N 5.956 128.239 122.820 -0.896 0.000 2.301 168 A HA 0.925 5.241 4.320 -0.007 0.000 0.312 168 A C -0.823 176.523 177.584 -0.397 0.000 1.182 168 A CA -0.422 51.324 52.037 -0.486 0.000 0.826 168 A CB 0.657 19.566 19.000 -0.151 0.000 1.134 168 A HN 0.794 nan 8.150 nan 0.000 0.501 169 L N 1.900 122.898 121.223 -0.375 0.000 2.371 169 L HA 0.661 4.997 4.340 -0.007 0.000 0.262 169 L C -0.230 176.275 176.870 -0.608 0.000 1.006 169 L CA -0.356 54.230 54.840 -0.424 0.000 0.818 169 L CB 2.243 43.951 42.059 -0.585 0.000 1.354 169 L HN 0.757 nan 8.230 nan 0.000 0.415 170 M N 0.048 119.156 119.600 -0.819 0.000 2.744 170 M HA 0.332 4.808 4.480 -0.007 0.000 0.283 170 M C -0.254 175.897 176.300 -0.249 0.000 1.275 170 M CA -0.724 54.213 55.300 -0.605 0.000 0.796 170 M CB 2.461 34.482 32.600 -0.966 0.000 1.739 170 M HN 0.539 nan 8.290 nan 0.000 0.454 171 S N 0.559 116.199 115.700 -0.099 0.000 4.087 171 S HA 0.703 5.168 4.470 -0.007 0.000 0.213 171 S C -0.446 174.141 174.600 -0.022 0.000 1.415 171 S CA -0.486 57.683 58.200 -0.051 0.000 0.893 171 S CB -0.811 62.340 63.200 -0.081 0.000 1.529 171 S HN 0.745 nan 8.310 nan 0.000 0.457 172 A N 2.222 125.026 122.820 -0.026 0.000 2.549 172 A HA 0.544 4.859 4.320 -0.007 0.000 0.291 172 A C -1.006 176.639 177.584 0.101 0.000 1.034 172 A CA -0.960 51.061 52.037 -0.027 0.000 0.655 172 A CB 0.393 19.330 19.000 -0.105 0.000 1.299 172 A HN 0.384 nan 8.150 nan 0.000 0.427 173 I N 1.316 121.947 120.570 0.102 0.000 2.529 173 I HA 0.204 4.369 4.170 -0.007 0.000 0.284 173 I C 1.019 177.249 176.117 0.188 0.000 1.082 173 I CA 0.119 61.500 61.300 0.135 0.000 1.406 173 I CB 0.336 38.391 38.000 0.091 0.000 1.405 173 I HN 0.648 nan 8.210 nan 0.000 0.548 174 R N 3.780 124.388 120.500 0.179 0.000 2.449 174 R HA 0.023 4.358 4.340 -0.007 0.000 0.296 174 R C -0.039 176.257 176.300 -0.007 0.000 1.047 174 R CA 0.060 56.213 56.100 0.087 0.000 1.018 174 R CB 0.356 30.724 30.300 0.115 0.000 0.962 174 R HN 0.466 nan 8.270 nan 0.000 0.428 175 D N 1.706 122.029 120.400 -0.128 0.000 2.593 175 D HA 0.212 4.848 4.640 -0.007 0.000 0.241 175 D C -0.078 176.162 176.300 -0.099 0.000 1.257 175 D CA 0.353 54.308 54.000 -0.075 0.000 0.828 175 D CB 0.486 41.261 40.800 -0.043 0.000 1.049 175 D HN 0.764 nan 8.370 nan 0.000 0.490 176 G N 0.756 109.486 108.800 -0.117 0.000 2.440 176 G HA2 0.155 4.111 3.960 -0.007 0.000 0.684 176 G HA3 0.155 4.111 3.960 -0.007 0.000 0.684 176 G C -1.192 173.609 174.900 -0.165 0.000 1.309 176 G CA -0.471 44.568 45.100 -0.102 0.000 0.931 176 G HN 0.304 nan 8.290 nan 0.000 0.612 177 E N -1.511 118.583 120.200 -0.176 0.000 2.343 177 E HA 0.793 5.139 4.350 -0.007 0.000 0.278 177 E C -0.431 176.030 176.600 -0.232 0.000 0.910 177 E CA -0.451 55.752 56.400 -0.329 0.000 0.757 177 E CB 2.343 31.703 29.700 -0.567 0.000 1.218 177 E HN 1.350 nan 8.360 nan 0.000 0.435 178 T N -0.794 113.620 114.554 -0.233 0.000 2.883 178 T HA 0.552 4.898 4.350 -0.007 0.000 0.301 178 T C -2.878 171.738 174.700 -0.139 0.000 1.158 178 T CA -2.226 59.787 62.100 -0.145 0.000 1.007 178 T CB 1.252 70.066 68.868 -0.090 0.000 1.186 178 T HN 0.238 nan 8.240 nan 0.000 0.499 179 P HA 0.159 nan 4.420 nan 0.000 0.267 179 P C -0.608 176.664 177.300 -0.046 0.000 1.201 179 P CA -0.032 63.032 63.100 -0.060 0.000 0.775 179 P CB 0.272 31.951 31.700 -0.036 0.000 0.854 180 D N 2.912 123.296 120.400 -0.027 0.000 2.343 180 D HA 0.086 4.721 4.640 -0.007 0.000 0.255 180 D C -1.570 174.727 176.300 -0.005 0.000 1.187 180 D CA -1.996 51.998 54.000 -0.010 0.000 0.875 180 D CB 0.596 41.400 40.800 0.007 0.000 1.136 180 D HN 0.103 nan 8.370 nan 0.000 0.469 181 P HA -0.087 nan 4.420 nan 0.000 0.217 181 P C 0.478 177.780 177.300 0.003 0.000 1.150 181 P CA 1.041 64.140 63.100 -0.001 0.000 0.832 181 P CB 0.273 31.973 31.700 -0.001 0.000 0.787 182 E N -1.199 119.004 120.200 0.005 0.000 2.511 182 E HA -0.016 4.330 4.350 -0.007 0.000 0.196 182 E C -0.025 176.580 176.600 0.009 0.000 1.066 182 E CA 0.313 56.717 56.400 0.007 0.000 0.871 182 E CB -0.136 29.568 29.700 0.007 0.000 0.863 182 E HN 0.151 nan 8.360 nan 0.000 0.520 183 D N -1.023 119.384 120.400 0.011 0.000 2.229 183 D HA 0.039 4.674 4.640 -0.007 0.000 0.209 183 D C -2.486 173.824 176.300 0.016 0.000 1.295 183 D CA -1.294 52.715 54.000 0.016 0.000 0.913 183 D CB 0.883 41.696 40.800 0.022 0.000 1.581 183 D HN -0.262 nan 8.370 nan 0.000 0.502 184 P HA -0.086 nan 4.420 nan 0.000 0.226 184 P C 1.200 178.512 177.300 0.019 0.000 1.146 184 P CA 0.898 64.005 63.100 0.012 0.000 0.773 184 P CB 0.173 31.879 31.700 0.010 0.000 0.772 185 S N -2.064 113.653 115.700 0.028 0.000 2.607 185 S HA 0.082 4.548 4.470 -0.007 0.000 0.224 185 S C 0.815 175.444 174.600 0.049 0.000 0.969 185 S CA -0.091 58.133 58.200 0.039 0.000 0.927 185 S CB -0.403 62.823 63.200 0.044 0.000 0.772 185 S HN 0.062 nan 8.310 nan 0.000 0.533 186 R N 0.090 120.615 120.500 0.041 0.000 2.854 186 R HA 0.629 4.964 4.340 -0.007 0.000 0.271 186 R C -1.020 175.293 176.300 0.023 0.000 0.994 186 R CA -0.831 55.300 56.100 0.053 0.000 0.945 186 R CB 1.487 31.823 30.300 0.061 0.000 1.194 186 R HN 0.102 nan 8.270 nan 0.000 0.476 187 K N 1.279 121.696 120.400 0.029 0.000 2.318 187 K HA 0.504 4.820 4.320 -0.007 0.000 0.249 187 K C -0.773 175.799 176.600 -0.046 0.000 0.942 187 K CA -0.648 55.597 56.287 -0.069 0.000 0.808 187 K CB 2.017 34.411 32.500 -0.176 0.000 1.189 187 K HN 0.375 nan 8.250 nan 0.000 0.428 188 I N 3.067 123.561 120.570 -0.128 0.000 2.339 188 I HA 0.252 4.418 4.170 -0.007 0.000 0.290 188 I C -0.905 175.092 176.117 -0.200 0.000 0.994 188 I CA -0.729 60.535 61.300 -0.060 0.000 1.191 188 I CB 0.586 38.569 38.000 -0.028 0.000 1.343 188 I HN 0.415 nan 8.210 nan 0.000 0.458 189 Y N 5.662 125.939 120.300 -0.038 0.000 2.323 189 Y HA 0.454 5.000 4.550 -0.007 0.000 0.331 189 Y C 0.196 175.868 175.900 -0.381 0.000 1.092 189 Y CA -0.489 57.483 58.100 -0.214 0.000 1.150 189 Y CB 1.320 39.698 38.460 -0.136 0.000 1.200 189 Y HN 0.386 nan 8.280 nan 0.000 0.472 190 K N 3.203 123.321 120.400 -0.470 0.000 2.208 190 K HA 0.674 4.990 4.320 -0.007 0.000 0.247 190 K C -1.712 174.431 176.600 -0.762 0.000 0.953 190 K CA -0.790 55.268 56.287 -0.381 0.000 0.837 190 K CB 1.727 34.143 32.500 -0.140 0.000 1.131 190 K HN 0.408 nan 8.250 nan 0.000 0.431 191 F N 1.515 121.528 119.950 0.106 0.000 2.596 191 F HA 0.481 5.004 4.527 -0.007 0.000 0.311 191 F C -0.505 175.310 175.800 0.026 0.000 1.116 191 F CA -0.866 57.173 58.000 0.066 0.000 0.957 191 F CB 1.518 40.573 39.000 0.091 0.000 1.250 191 F HN 0.303 nan 8.300 nan 0.000 0.444 192 I N 2.714 123.365 120.570 0.135 0.000 2.499 192 I HA 0.465 4.631 4.170 -0.007 0.000 0.288 192 I C -1.544 174.486 176.117 -0.145 0.000 1.048 192 I CA -0.685 60.616 61.300 0.000 0.000 1.062 192 I CB 1.667 39.689 38.000 0.035 0.000 1.238 192 I HN 0.600 nan 8.210 nan 0.000 0.426 193 Q N 6.534 126.112 119.800 -0.371 0.000 2.394 193 Q HA 0.281 4.616 4.340 -0.007 0.000 0.259 193 Q C -0.062 175.849 176.000 -0.149 0.000 1.021 193 Q CA -0.476 55.118 55.803 -0.348 0.000 0.805 193 Q CB 1.410 29.687 28.738 -0.767 0.000 1.226 193 Q HN 0.733 nan 8.270 nan 0.000 0.476 194 K N 1.351 121.705 120.400 -0.078 0.000 2.379 194 K HA 0.212 4.528 4.320 -0.007 0.000 0.194 194 K C -0.145 176.395 176.600 -0.100 0.000 1.031 194 K CA 0.047 56.296 56.287 -0.063 0.000 1.037 194 K CB 0.523 32.980 32.500 -0.071 0.000 0.824 194 K HN 0.245 nan 8.250 nan 0.000 0.516 195 V N 3.656 123.508 119.914 -0.104 0.000 2.407 195 V HA 0.273 4.389 4.120 -0.007 0.000 0.278 195 V C -2.440 173.648 176.094 -0.009 0.000 1.037 195 V CA -2.451 59.750 62.300 -0.165 0.000 0.900 195 V CB 1.065 32.602 31.823 -0.476 0.000 0.983 195 V HN 0.082 nan 8.190 nan 0.000 0.459 196 P HA 0.331 nan 4.420 nan 0.000 0.268 196 P C -0.613 176.768 177.300 0.134 0.000 1.204 196 P CA 0.202 63.338 63.100 0.061 0.000 0.768 196 P CB 0.365 32.082 31.700 0.029 0.000 0.842 197 I N 0.101 120.740 120.570 0.114 0.000 2.894 197 I HA 0.659 4.824 4.170 -0.007 0.000 0.302 197 I C -2.865 173.240 176.117 -0.020 0.000 1.188 197 I CA -3.406 57.945 61.300 0.084 0.000 1.014 197 I CB 2.826 40.884 38.000 0.097 0.000 1.242 197 I HN 0.068 nan 8.210 nan 0.000 0.430 198 P HA 0.032 nan 4.420 nan 0.000 0.272 198 P C 0.943 178.117 177.300 -0.210 0.000 1.223 198 P CA -0.215 62.791 63.100 -0.158 0.000 0.784 198 P CB 1.079 32.655 31.700 -0.207 0.000 0.923 199 C N 0.980 120.234 119.300 -0.077 0.000 2.437 199 C HA -0.107 4.348 4.460 -0.007 0.000 0.283 199 C C 2.545 177.508 174.990 -0.046 0.000 1.424 199 C CA 0.382 59.357 59.018 -0.072 0.000 1.782 199 C CB -2.622 25.095 27.740 -0.037 0.000 1.833 199 C HN 0.637 nan 8.230 nan 0.000 0.532 200 Y N 0.583 120.918 120.300 0.057 0.000 2.571 200 Y HA 0.282 4.828 4.550 -0.006 0.000 0.294 200 Y C 1.868 177.766 175.900 -0.003 0.000 1.141 200 Y CA 0.442 58.584 58.100 0.070 0.000 1.308 200 Y CB -0.898 37.700 38.460 0.231 0.000 1.002 200 Y HN 0.259 nan 8.280 nan 0.000 0.551 201 L N 0.907 121.869 121.223 -0.435 0.000 2.558 201 L HA 0.156 4.491 4.340 -0.007 0.000 0.225 201 L C 0.412 177.168 176.870 -0.191 0.000 1.128 201 L CA -0.021 54.615 54.840 -0.341 0.000 0.868 201 L CB -0.158 41.637 42.059 -0.439 0.000 1.006 201 L HN 0.184 nan 8.230 nan 0.000 0.454 202 I N 1.095 121.559 120.570 -0.178 0.000 2.598 202 I HA 0.110 4.276 4.170 -0.007 0.000 0.284 202 I C 0.430 176.424 176.117 -0.204 0.000 1.140 202 I CA 0.197 61.354 61.300 -0.239 0.000 1.420 202 I CB 0.563 38.337 38.000 -0.376 0.000 1.387 202 I HN 0.021 nan 8.210 nan 0.000 0.553 203 A N 7.349 130.048 122.820 -0.201 0.000 2.486 203 A HA 0.850 5.165 4.320 -0.007 0.000 0.300 203 A C -1.473 176.037 177.584 -0.123 0.000 1.048 203 A CA -0.481 51.441 52.037 -0.192 0.000 0.696 203 A CB 1.763 20.497 19.000 -0.445 0.000 1.278 203 A HN 0.561 nan 8.150 nan 0.000 0.405 204 L N 2.217 123.423 121.223 -0.029 0.000 2.431 204 L HA 0.850 5.186 4.340 -0.007 0.000 0.266 204 L C -1.425 175.451 176.870 0.009 0.000 0.978 204 L CA -0.578 54.207 54.840 -0.090 0.000 0.822 204 L CB 2.024 43.992 42.059 -0.152 0.000 1.310 204 L HN 1.030 nan 8.230 nan 0.000 0.409 205 V N 5.546 125.388 119.914 -0.119 0.000 2.789 205 V HA 0.860 4.976 4.120 -0.007 0.000 0.311 205 V C -1.635 174.273 176.094 -0.310 0.000 1.073 205 V CA -0.340 61.834 62.300 -0.211 0.000 0.921 205 V CB 2.424 34.035 31.823 -0.353 0.000 1.009 205 V HN 0.593 nan 8.190 nan 0.000 0.426 206 V N 5.846 125.558 119.914 -0.337 0.000 2.525 206 V HA 1.013 5.128 4.120 -0.007 0.000 0.299 206 V C 0.378 176.257 176.094 -0.358 0.000 1.034 206 V CA 0.431 62.588 62.300 -0.238 0.000 0.863 206 V CB 1.011 32.846 31.823 0.021 0.000 0.999 206 V HN 1.353 nan 8.190 nan 0.000 0.423 207 G N 2.604 111.179 108.800 -0.374 0.000 2.495 207 G HA2 0.618 4.574 3.960 -0.007 0.000 0.294 207 G HA3 0.618 4.574 3.960 -0.007 0.000 0.294 207 G C -0.843 173.975 174.900 -0.137 0.000 1.397 207 G CA -0.122 44.776 45.100 -0.336 0.000 0.790 207 G HN 1.043 nan 8.290 nan 0.000 0.486 208 A N 0.495 123.311 122.820 -0.007 0.000 2.981 208 A HA 0.591 4.906 4.320 -0.007 0.000 0.280 208 A C 0.158 177.799 177.584 0.096 0.000 1.743 208 A CA 0.053 52.093 52.037 0.006 0.000 1.430 208 A CB -1.100 17.949 19.000 0.082 0.000 1.085 208 A HN 0.499 nan 8.150 nan 0.000 0.597 209 L N 1.955 123.232 121.223 0.089 0.000 2.309 209 L HA 0.469 4.805 4.340 -0.007 0.000 0.282 209 L C 0.140 177.160 176.870 0.250 0.000 1.036 209 L CA -0.547 54.413 54.840 0.199 0.000 0.806 209 L CB 1.356 43.546 42.059 0.218 0.000 1.220 209 L HN 0.536 nan 8.230 nan 0.000 0.429 210 E N 1.675 121.997 120.200 0.203 0.000 2.299 210 E HA 0.667 5.013 4.350 -0.007 0.000 0.260 210 E C -0.991 175.532 176.600 -0.129 0.000 0.944 210 E CA -0.661 55.779 56.400 0.066 0.000 0.815 210 E CB 2.296 32.007 29.700 0.019 0.000 1.252 210 E HN 0.552 nan 8.360 nan 0.000 0.418 211 S N 0.202 115.654 115.700 -0.413 0.000 2.546 211 S HA 0.687 5.153 4.470 -0.007 0.000 0.274 211 S C -0.719 173.628 174.600 -0.422 0.000 1.121 211 S CA -1.018 56.723 58.200 -0.765 0.000 0.887 211 S CB 2.620 64.735 63.200 -1.809 0.000 1.094 211 S HN 0.533 nan 8.310 nan 0.000 0.474 212 R N 1.138 121.438 120.500 -0.333 0.000 2.628 212 R HA 0.421 4.757 4.340 -0.007 0.000 0.288 212 R C -1.077 175.133 176.300 -0.149 0.000 0.980 212 R CA -0.486 55.504 56.100 -0.182 0.000 0.891 212 R CB 1.849 32.094 30.300 -0.092 0.000 1.188 212 R HN 0.875 nan 8.270 nan 0.000 0.450 213 Q N 4.311 124.055 119.800 -0.094 0.000 2.304 213 Q HA 0.199 4.534 4.340 -0.007 0.000 0.260 213 Q C 0.526 176.526 176.000 -0.000 0.000 0.965 213 Q CA -0.038 55.740 55.803 -0.043 0.000 0.898 213 Q CB 0.891 29.616 28.738 -0.022 0.000 1.196 213 Q HN 0.789 nan 8.270 nan 0.000 0.402 214 I N -0.002 120.585 120.570 0.029 0.000 4.240 214 I HA 0.571 4.737 4.170 -0.007 0.000 0.331 214 I C 0.350 176.502 176.117 0.059 0.000 1.381 214 I CA -0.216 61.116 61.300 0.052 0.000 1.136 214 I CB 1.043 39.093 38.000 0.082 0.000 1.137 214 I HN 0.528 nan 8.210 nan 0.000 0.411 215 G N 1.433 110.269 108.800 0.060 0.000 2.550 215 G HA2 0.394 4.350 3.960 -0.007 0.000 0.293 215 G HA3 0.394 4.350 3.960 -0.007 0.000 0.293 215 G C -2.723 172.214 174.900 0.062 0.000 1.402 215 G CA -0.407 44.729 45.100 0.061 0.000 0.784 215 G HN -0.231 nan 8.290 nan 0.000 0.482 216 P HA -0.021 nan 4.420 nan 0.000 0.225 216 P C 0.782 178.132 177.300 0.083 0.000 1.148 216 P CA 0.846 63.984 63.100 0.064 0.000 0.779 216 P CB 0.175 31.910 31.700 0.058 0.000 0.780 217 R N -2.380 118.179 120.500 0.099 0.000 2.615 217 R HA 0.377 4.713 4.340 -0.007 0.000 0.448 217 R C -0.678 175.717 176.300 0.159 0.000 1.009 217 R CA -0.347 55.833 56.100 0.133 0.000 1.111 217 R CB -0.250 30.140 30.300 0.150 0.000 1.461 217 R HN -0.215 nan 8.270 nan 0.000 0.587 218 T N 1.698 116.332 114.554 0.135 0.000 2.937 218 T HA 0.409 4.755 4.350 -0.007 0.000 0.297 218 T C -1.262 173.495 174.700 0.095 0.000 0.991 218 T CA -0.574 61.614 62.100 0.145 0.000 0.990 218 T CB 1.813 70.786 68.868 0.175 0.000 0.991 218 T HN -0.052 nan 8.240 nan 0.000 0.440 219 L N 3.690 124.967 121.223 0.090 0.000 2.325 219 L HA 0.642 4.978 4.340 -0.007 0.000 0.278 219 L C 0.160 177.023 176.870 -0.012 0.000 1.023 219 L CA -0.962 53.858 54.840 -0.034 0.000 0.811 219 L CB 1.550 43.517 42.059 -0.154 0.000 1.249 219 L HN 0.552 nan 8.230 nan 0.000 0.431 220 V N -0.872 119.002 119.914 -0.066 0.000 2.509 220 V HA 0.540 4.655 4.120 -0.007 0.000 0.284 220 V C -0.990 175.007 176.094 -0.161 0.000 1.047 220 V CA -0.822 61.487 62.300 0.015 0.000 0.952 220 V CB 0.753 32.648 31.823 0.119 0.000 0.988 220 V HN 0.662 nan 8.190 nan 0.000 0.469 221 W N 2.858 124.161 121.300 0.005 0.000 2.632 221 W HA 0.806 5.462 4.660 -0.007 0.000 0.328 221 W C 0.287 176.798 176.519 -0.013 0.000 1.044 221 W CA 0.124 57.461 57.345 -0.013 0.000 1.225 221 W CB 2.035 31.462 29.460 -0.055 0.000 1.396 221 W HN 1.055 nan 8.180 nan 0.000 0.499 222 S N -0.384 115.450 115.700 0.224 0.000 2.655 222 S HA 0.347 4.813 4.470 -0.007 0.000 0.266 222 S C -1.021 173.677 174.600 0.163 0.000 1.149 222 S CA -1.357 56.943 58.200 0.166 0.000 0.818 222 S CB 1.128 64.393 63.200 0.109 0.000 1.130 222 S HN 0.477 nan 8.310 nan 0.000 0.476 223 E N 1.056 121.348 120.200 0.154 0.000 2.442 223 E HA 0.074 4.419 4.350 -0.007 0.000 0.262 223 E C 0.911 177.566 176.600 0.092 0.000 1.004 223 E CA -0.147 56.336 56.400 0.137 0.000 0.928 223 E CB 0.518 30.291 29.700 0.121 0.000 0.937 223 E HN 0.635 nan 8.360 nan 0.000 0.446 224 K N 2.349 122.799 120.400 0.084 0.000 2.117 224 K HA -0.282 4.033 4.320 -0.007 0.000 0.215 224 K C 1.503 178.128 176.600 0.042 0.000 1.053 224 K CA 2.212 58.533 56.287 0.057 0.000 0.935 224 K CB 0.057 32.593 32.500 0.059 0.000 0.719 224 K HN 0.485 nan 8.250 nan 0.000 0.460 225 E N 0.019 120.245 120.200 0.042 0.000 2.478 225 E HA -0.166 4.180 4.350 -0.007 0.000 0.198 225 E C 1.410 178.025 176.600 0.024 0.000 1.046 225 E CA 0.958 57.376 56.400 0.029 0.000 0.870 225 E CB 0.015 29.730 29.700 0.025 0.000 0.818 225 E HN 0.431 nan 8.360 nan 0.000 0.527 226 Q N 0.182 120.002 119.800 0.033 0.000 2.396 226 Q HA 0.130 4.465 4.340 -0.007 0.000 0.209 226 Q C 2.115 178.136 176.000 0.035 0.000 0.906 226 Q CA 0.164 55.987 55.803 0.034 0.000 0.927 226 Q CB 0.374 29.137 28.738 0.043 0.000 1.069 226 Q HN 0.082 nan 8.270 nan 0.000 0.523 227 V N 0.952 120.885 119.914 0.032 0.000 2.282 227 V HA -0.316 3.800 4.120 -0.007 0.000 0.249 227 V C 2.168 178.273 176.094 0.018 0.000 1.057 227 V CA 2.341 64.656 62.300 0.024 0.000 1.032 227 V CB -0.380 31.445 31.823 0.004 0.000 0.645 227 V HN 0.475 nan 8.190 nan 0.000 0.447 228 E N 0.114 120.321 120.200 0.011 0.000 2.046 228 E HA -0.256 4.090 4.350 -0.007 0.000 0.190 228 E C 2.354 178.964 176.600 0.017 0.000 0.982 228 E CA 1.365 57.771 56.400 0.010 0.000 0.800 228 E CB -0.099 29.600 29.700 -0.002 0.000 0.756 228 E HN 0.535 nan 8.360 nan 0.000 0.449 229 K N 0.049 120.449 120.400 0.000 0.000 2.063 229 K HA -0.127 4.189 4.320 -0.007 0.000 0.208 229 K C 2.227 178.799 176.600 -0.046 0.000 1.048 229 K CA 1.683 57.963 56.287 -0.011 0.000 0.928 229 K CB -0.009 32.477 32.500 -0.022 0.000 0.713 229 K HN 0.003 nan 8.250 nan 0.000 0.442 230 S N 0.249 115.924 115.700 -0.042 0.000 2.383 230 S HA -0.090 4.376 4.470 -0.007 0.000 0.227 230 S C 1.950 176.514 174.600 -0.061 0.000 1.026 230 S CA 0.972 59.117 58.200 -0.093 0.000 0.981 230 S CB -0.137 63.147 63.200 0.139 0.000 0.818 230 S HN 0.494 nan 8.310 nan 0.000 0.472 231 A N 0.592 123.431 122.820 0.031 0.000 1.908 231 A HA -0.147 4.169 4.320 -0.007 0.000 0.218 231 A C 1.967 179.579 177.584 0.046 0.000 1.181 231 A CA 1.644 53.718 52.037 0.061 0.000 0.627 231 A CB -0.917 18.115 19.000 0.053 0.000 0.818 231 A HN 0.597 nan 8.150 nan 0.000 0.445 232 Y N 0.262 120.513 120.300 -0.082 0.000 2.184 232 Y HA -0.124 4.421 4.550 -0.007 0.000 0.290 232 Y C 2.336 178.149 175.900 -0.144 0.000 1.129 232 Y CA 2.173 60.224 58.100 -0.082 0.000 1.144 232 Y CB -0.289 38.127 38.460 -0.074 0.000 0.995 232 Y HN 0.390 nan 8.280 nan 0.000 0.513 233 E N -0.178 119.863 120.200 -0.265 0.000 2.118 233 E HA -0.183 4.163 4.350 -0.007 0.000 0.195 233 E C 0.836 177.138 176.600 -0.496 0.000 0.992 233 E CA 1.629 57.709 56.400 -0.533 0.000 0.804 233 E CB -0.350 28.817 29.700 -0.889 0.000 0.741 233 E HN 0.479 nan 8.360 nan 0.000 0.458 234 F N -0.318 119.633 119.950 0.001 0.000 2.647 234 F HA 0.247 4.770 4.527 -0.007 0.000 0.300 234 F C 1.802 177.605 175.800 0.005 0.000 1.106 234 F CA 0.193 58.211 58.000 0.030 0.000 1.313 234 F CB -0.399 38.647 39.000 0.077 0.000 1.007 234 F HN -0.020 nan 8.300 nan 0.000 0.536 235 S N -0.377 115.340 115.700 0.028 0.000 2.440 235 S HA -0.225 4.241 4.470 -0.007 0.000 0.238 235 S C 1.397 176.017 174.600 0.032 0.000 1.010 235 S CA 1.323 59.524 58.200 0.001 0.000 0.972 235 S CB -0.487 62.646 63.200 -0.111 0.000 0.774 235 S HN 0.542 nan 8.310 nan 0.000 0.501 236 E N 0.813 121.046 120.200 0.056 0.000 2.511 236 E HA 0.032 4.378 4.350 -0.007 0.000 0.196 236 E C 1.550 178.193 176.600 0.072 0.000 1.066 236 E CA 0.689 57.123 56.400 0.058 0.000 0.871 236 E CB -0.291 29.459 29.700 0.082 0.000 0.863 236 E HN 0.574 nan 8.360 nan 0.000 0.520 237 T N 1.135 115.754 114.554 0.109 0.000 2.652 237 T HA -0.233 4.112 4.350 -0.007 0.000 0.267 237 T C 1.798 176.515 174.700 0.029 0.000 1.039 237 T CA 1.665 63.824 62.100 0.099 0.000 1.153 237 T CB -0.177 68.799 68.868 0.180 0.000 0.863 237 T HN 0.167 nan 8.240 nan 0.000 0.428 238 E N 1.483 121.707 120.200 0.040 0.000 2.130 238 E HA -0.143 4.202 4.350 -0.007 0.000 0.196 238 E C 2.323 178.917 176.600 -0.009 0.000 0.998 238 E CA 1.792 58.198 56.400 0.011 0.000 0.806 238 E CB -0.403 29.315 29.700 0.030 0.000 0.738 238 E HN 0.554 nan 8.360 nan 0.000 0.459 239 S N -0.904 114.793 115.700 -0.006 0.000 2.425 239 S HA -0.069 4.397 4.470 -0.007 0.000 0.225 239 S C 2.087 176.668 174.600 -0.032 0.000 1.024 239 S CA 0.865 59.053 58.200 -0.020 0.000 0.951 239 S CB -0.300 62.884 63.200 -0.028 0.000 0.796 239 S HN 0.291 nan 8.310 nan 0.000 0.498 240 M N 0.975 120.559 119.600 -0.025 0.000 2.108 240 M HA -0.028 4.447 4.480 -0.007 0.000 0.261 240 M C 2.249 178.520 176.300 -0.049 0.000 1.066 240 M CA 1.527 56.810 55.300 -0.028 0.000 1.107 240 M CB -0.728 31.871 32.600 -0.001 0.000 1.356 240 M HN 0.326 nan 8.290 nan 0.000 0.406 241 L N 0.142 121.317 121.223 -0.080 0.000 2.012 241 L HA -0.261 4.074 4.340 -0.007 0.000 0.210 241 L C 2.512 179.375 176.870 -0.011 0.000 1.073 241 L CA 1.569 56.354 54.840 -0.091 0.000 0.748 241 L CB -0.514 41.435 42.059 -0.183 0.000 0.891 241 L HN 0.289 nan 8.230 nan 0.000 0.431 242 K N -0.022 120.371 120.400 -0.013 0.000 2.063 242 K HA -0.183 4.133 4.320 -0.007 0.000 0.208 242 K C 1.972 178.561 176.600 -0.019 0.000 1.048 242 K CA 1.442 57.732 56.287 0.004 0.000 0.928 242 K CB -0.245 32.256 32.500 0.002 0.000 0.713 242 K HN 0.284 nan 8.250 nan 0.000 0.442 243 I N 0.843 121.389 120.570 -0.040 0.000 2.353 243 I HA -0.216 3.949 4.170 -0.007 0.000 0.248 243 I C 2.491 178.540 176.117 -0.114 0.000 1.119 243 I CA 0.897 62.161 61.300 -0.060 0.000 1.417 243 I CB -0.346 37.625 38.000 -0.048 0.000 1.078 243 I HN 0.116 nan 8.210 nan 0.000 0.421 244 A N 0.414 123.153 122.820 -0.136 0.000 1.933 244 A HA -0.222 4.094 4.320 -0.007 0.000 0.218 244 A C 2.245 179.479 177.584 -0.584 0.000 1.175 244 A CA 1.662 53.493 52.037 -0.342 0.000 0.628 244 A CB -0.534 18.337 19.000 -0.215 0.000 0.814 244 A HN 0.440 nan 8.150 nan 0.000 0.444 245 E N -0.792 119.291 120.200 -0.194 0.000 2.106 245 E HA -0.199 4.147 4.350 -0.007 0.000 0.192 245 E C 1.646 178.189 176.600 -0.096 0.000 0.984 245 E CA 1.095 57.485 56.400 -0.017 0.000 0.806 245 E CB -0.139 29.673 29.700 0.188 0.000 0.750 245 E HN 0.701 nan 8.360 nan 0.000 0.458 246 D N 0.397 120.738 120.400 -0.098 0.000 2.178 246 D HA -0.119 4.517 4.640 -0.007 0.000 0.202 246 D C 1.789 178.010 176.300 -0.133 0.000 0.974 246 D CA 0.876 54.827 54.000 -0.082 0.000 0.841 246 D CB 0.106 40.873 40.800 -0.055 0.000 0.953 246 D HN 0.104 nan 8.370 nan 0.000 0.478 247 L N -1.271 119.821 121.223 -0.219 0.000 2.249 247 L HA 0.294 4.630 4.340 -0.007 0.000 0.207 247 L C 2.334 179.020 176.870 -0.306 0.000 1.090 247 L CA 0.969 55.673 54.840 -0.226 0.000 0.802 247 L CB -0.037 41.893 42.059 -0.214 0.000 0.947 247 L HN 0.121 nan 8.230 nan 0.000 0.453 248 G N -1.020 107.438 108.800 -0.570 0.000 2.939 248 G HA2 0.474 4.430 3.960 -0.007 0.000 0.216 248 G HA3 0.474 4.430 3.960 -0.007 0.000 0.216 248 G C 0.683 175.361 174.900 -0.369 0.000 1.125 248 G CA 0.485 45.158 45.100 -0.712 0.000 0.766 248 G HN 0.483 nan 8.290 nan 0.000 0.541 249 G N -0.180 108.518 108.800 -0.171 0.000 2.549 249 G HA2 0.007 3.963 3.960 -0.007 0.000 0.404 249 G HA3 0.007 3.963 3.960 -0.007 0.000 0.404 249 G C -3.092 172.044 174.900 0.394 0.000 1.292 249 G CA -0.671 44.496 45.100 0.111 0.000 0.935 249 G HN 0.194 nan 8.290 nan 0.000 0.512 250 P HA 0.305 nan 4.420 nan 0.000 0.268 250 P C -0.582 176.989 177.300 0.452 0.000 1.205 250 P CA -0.035 63.273 63.100 0.346 0.000 0.771 250 P CB 0.275 32.078 31.700 0.171 0.000 0.858 251 Y N 3.719 124.205 120.300 0.311 0.000 2.531 251 Y HA 0.162 4.707 4.550 -0.007 0.000 0.347 251 Y C 1.204 177.108 175.900 0.007 0.000 1.024 251 Y CA -0.075 58.097 58.100 0.120 0.000 1.306 251 Y CB 0.200 38.778 38.460 0.197 0.000 1.149 251 Y HN 0.182 nan 8.280 nan 0.000 0.527 252 V N 2.930 122.499 119.914 -0.575 0.000 3.647 252 V HA 0.035 4.151 4.120 -0.007 0.000 0.279 252 V C 0.504 176.154 176.094 -0.740 0.000 1.314 252 V CA 0.172 62.112 62.300 -0.600 0.000 1.125 252 V CB -0.767 30.673 31.823 -0.638 0.000 0.907 252 V HN 0.807 nan 8.190 nan 0.000 0.434 253 W N 1.248 122.081 121.300 -0.779 0.000 3.278 253 W HA 0.683 5.338 4.660 -0.007 0.000 0.308 253 W C 1.818 178.226 176.519 -0.184 0.000 1.253 253 W CA 0.490 57.534 57.345 -0.501 0.000 1.759 253 W CB -0.054 29.068 29.460 -0.562 0.000 1.093 253 W HN 0.489 nan 8.180 nan 0.000 0.648 254 G N 0.828 109.680 108.800 0.086 0.000 4.026 254 G HA2 -0.410 3.546 3.960 -0.007 0.000 0.309 254 G HA3 -0.410 3.546 3.960 -0.007 0.000 0.309 254 G C 0.271 175.414 174.900 0.406 0.000 1.411 254 G CA 0.524 45.759 45.100 0.224 0.000 1.037 254 G HN 0.201 nan 8.290 nan 0.000 0.687 255 Q N 0.314 120.329 119.800 0.358 0.000 2.293 255 Q HA 0.636 4.972 4.340 -0.007 0.000 0.251 255 Q C -0.999 175.291 176.000 0.482 0.000 0.930 255 Q CA -0.356 55.656 55.803 0.349 0.000 0.893 255 Q CB 0.742 29.625 28.738 0.242 0.000 1.215 255 Q HN 0.613 nan 8.270 nan 0.000 0.425 256 Y N 3.530 123.962 120.300 0.218 0.000 2.842 256 Y HA 0.338 4.883 4.550 -0.007 0.000 0.334 256 Y C -1.179 174.792 175.900 0.117 0.000 1.019 256 Y CA -0.821 57.355 58.100 0.126 0.000 1.258 256 Y CB 0.518 38.907 38.460 -0.119 0.000 1.106 256 Y HN 0.642 nan 8.280 nan 0.000 0.545 257 D N 3.760 124.061 120.400 -0.165 0.000 2.340 257 D HA 0.482 5.117 4.640 -0.007 0.000 0.251 257 D C -0.814 175.341 176.300 -0.242 0.000 1.080 257 D CA -0.077 53.895 54.000 -0.046 0.000 0.971 257 D CB 1.775 42.694 40.800 0.199 0.000 1.137 257 D HN 0.496 nan 8.370 nan 0.000 0.475 258 L N 1.047 122.262 121.223 -0.015 0.000 2.386 258 L HA 0.453 4.788 4.340 -0.007 0.000 0.271 258 L C -1.068 175.840 176.870 0.064 0.000 0.993 258 L CA -1.013 53.791 54.840 -0.060 0.000 0.819 258 L CB 1.898 43.906 42.059 -0.085 0.000 1.294 258 L HN 0.097 nan 8.230 nan 0.000 0.414 259 L N 4.161 125.350 121.223 -0.057 0.000 2.325 259 L HA 0.613 4.949 4.340 -0.007 0.000 0.281 259 L C -0.931 175.816 176.870 -0.205 0.000 1.004 259 L CA -0.338 54.420 54.840 -0.137 0.000 0.823 259 L CB 1.871 43.645 42.059 -0.474 0.000 1.236 259 L HN 0.262 nan 8.230 nan 0.000 0.415 260 V N 6.402 126.270 119.914 -0.078 0.000 2.350 260 V HA 0.398 4.513 4.120 -0.007 0.000 0.276 260 V C 0.339 176.343 176.094 -0.149 0.000 1.028 260 V CA -0.467 61.792 62.300 -0.069 0.000 0.860 260 V CB 0.978 32.865 31.823 0.107 0.000 0.990 260 V HN 0.649 nan 8.190 nan 0.000 0.453 261 L N 7.065 128.107 121.223 -0.300 0.000 2.454 261 L HA 0.516 4.852 4.340 -0.007 0.000 0.256 261 L C -2.056 174.653 176.870 -0.268 0.000 1.136 261 L CA -1.503 53.106 54.840 -0.385 0.000 0.804 261 L CB 0.492 42.090 42.059 -0.768 0.000 1.181 261 L HN 0.415 nan 8.230 nan 0.000 0.469 262 P HA 0.092 nan 4.420 nan 0.000 0.271 262 P C -2.225 175.031 177.300 -0.073 0.000 1.244 262 P CA -0.898 62.069 63.100 -0.221 0.000 0.793 262 P CB -0.014 31.513 31.700 -0.288 0.000 0.984 263 P HA -0.083 nan 4.420 nan 0.000 0.230 263 P C 0.841 178.191 177.300 0.084 0.000 1.158 263 P CA 1.127 64.254 63.100 0.047 0.000 0.769 263 P CB -0.313 31.416 31.700 0.047 0.000 0.807 264 S N -1.895 113.884 115.700 0.132 0.000 2.650 264 S HA 0.022 4.488 4.470 -0.007 0.000 0.219 264 S C 0.439 175.157 174.600 0.198 0.000 0.960 264 S CA -0.533 57.777 58.200 0.183 0.000 0.925 264 S CB -1.308 62.053 63.200 0.268 0.000 0.775 264 S HN -0.027 nan 8.310 nan 0.000 0.525 265 F N 4.705 124.611 119.950 -0.072 0.000 2.578 265 F HA 0.270 4.794 4.527 -0.006 0.000 0.381 265 F C -1.612 174.054 175.800 -0.223 0.000 1.069 265 F CA -2.313 55.553 58.000 -0.224 0.000 1.231 265 F CB 0.846 39.611 39.000 -0.392 0.000 1.086 265 F HN 0.004 nan 8.300 nan 0.000 0.564 266 P HA -0.071 nan 4.420 nan 0.000 0.229 266 P C -0.971 175.586 177.300 -1.238 0.000 1.160 266 P CA 1.281 63.740 63.100 -1.068 0.000 0.777 266 P CB 0.083 30.966 31.700 -1.361 0.000 0.814 267 Y N -1.704 118.086 120.300 -0.850 0.000 2.562 267 Y HA 0.563 5.108 4.550 -0.008 0.000 0.343 267 Y C 2.063 177.882 175.900 -0.134 0.000 1.025 267 Y CA -0.605 57.219 58.100 -0.461 0.000 1.082 267 Y CB 0.397 38.617 38.460 -0.401 0.000 1.264 267 Y HN -0.307 nan 8.280 nan 0.000 0.478 268 G N 0.216 109.071 108.800 0.090 0.000 2.422 268 G HA2 0.281 4.237 3.960 -0.007 0.000 0.218 268 G HA3 0.281 4.237 3.960 -0.007 0.000 0.218 268 G C 0.391 175.452 174.900 0.268 0.000 1.146 268 G CA 0.947 46.115 45.100 0.113 0.000 0.769 268 G HN 0.961 nan 8.290 nan 0.000 0.547 269 G N -1.684 107.326 108.800 0.349 0.000 2.673 269 G HA2 0.510 4.466 3.960 -0.007 0.000 0.292 269 G HA3 0.510 4.466 3.960 -0.007 0.000 0.292 269 G C -1.788 173.351 174.900 0.398 0.000 1.450 269 G CA -0.700 44.633 45.100 0.388 0.000 0.837 269 G HN 0.232 nan 8.290 nan 0.000 0.505 270 M N 1.667 121.480 119.600 0.354 0.000 2.213 270 M HA 0.370 4.845 4.480 -0.007 0.000 0.286 270 M C 0.326 176.662 176.300 0.059 0.000 1.008 270 M CA -1.105 54.308 55.300 0.189 0.000 0.937 270 M CB 1.859 34.590 32.600 0.218 0.000 1.600 270 M HN 0.569 nan 8.290 nan 0.000 0.450 271 E N 2.479 122.702 120.200 0.038 0.000 2.528 271 E HA 0.038 4.384 4.350 -0.007 0.000 0.237 271 E C -1.042 175.477 176.600 -0.136 0.000 1.408 271 E CA 0.022 56.434 56.400 0.021 0.000 1.571 271 E CB -1.095 28.623 29.700 0.029 0.000 1.395 271 E HN 0.791 nan 8.360 nan 0.000 0.438 272 N N 3.548 122.116 118.700 -0.219 0.000 2.412 272 N HA 0.035 4.770 4.740 -0.007 0.000 0.258 272 N C -2.350 172.984 175.510 -0.293 0.000 1.236 272 N CA -0.818 52.042 53.050 -0.315 0.000 0.882 272 N CB 0.456 38.630 38.487 -0.522 0.000 1.066 272 N HN 0.238 nan 8.380 nan 0.000 0.465 273 P HA -0.006 nan 4.420 nan 0.000 0.271 273 P C 0.097 177.269 177.300 -0.212 0.000 1.216 273 P CA -0.136 62.668 63.100 -0.494 0.000 0.771 273 P CB 0.687 31.957 31.700 -0.716 0.000 0.864 274 C N 0.773 120.007 119.300 -0.109 0.000 5.678 274 C HA -0.205 4.250 4.460 -0.007 0.000 0.302 274 C C 0.494 175.445 174.990 -0.065 0.000 2.210 274 C CA 0.840 59.875 59.018 0.027 0.000 1.973 274 C CB -2.491 25.291 27.740 0.069 0.000 2.925 274 C HN 0.681 nan 8.230 nan 0.000 0.410 275 L N 0.923 122.065 121.223 -0.136 0.000 2.487 275 L HA 0.437 4.772 4.340 -0.007 0.000 0.261 275 L C -0.032 176.815 176.870 -0.038 0.000 1.223 275 L CA 0.395 55.179 54.840 -0.094 0.000 0.883 275 L CB 0.644 42.699 42.059 -0.007 0.000 1.065 275 L HN 0.163 nan 8.230 nan 0.000 0.488 276 T N 3.861 118.312 114.554 -0.173 0.000 2.888 276 T HA 0.329 4.675 4.350 -0.007 0.000 0.301 276 T C -0.218 174.578 174.700 0.161 0.000 1.001 276 T CA 0.589 62.664 62.100 -0.041 0.000 1.147 276 T CB -0.078 68.741 68.868 -0.082 0.000 0.931 276 T HN 0.155 nan 8.240 nan 0.000 0.541 277 F N 3.636 123.471 119.950 -0.191 0.000 2.404 277 F HA 0.502 5.025 4.527 -0.007 0.000 0.345 277 F C 0.538 176.141 175.800 -0.328 0.000 1.110 277 F CA -1.632 56.144 58.000 -0.373 0.000 1.130 277 F CB 0.695 39.352 39.000 -0.572 0.000 1.129 277 F HN 0.266 nan 8.300 nan 0.000 0.500 278 V N -0.322 119.455 119.914 -0.228 0.000 2.914 278 V HA 0.649 4.765 4.120 -0.007 0.000 0.314 278 V C -0.095 175.941 176.094 -0.097 0.000 1.084 278 V CA -0.863 61.382 62.300 -0.091 0.000 0.963 278 V CB 1.388 33.133 31.823 -0.129 0.000 1.025 278 V HN 0.718 nan 8.190 nan 0.000 0.432 279 T N 3.374 118.012 114.554 0.141 0.000 2.919 279 T HA 0.368 4.713 4.350 -0.007 0.000 0.302 279 T C -1.193 173.587 174.700 0.134 0.000 1.031 279 T CA -0.821 61.380 62.100 0.168 0.000 1.127 279 T CB 1.157 70.141 68.868 0.193 0.000 0.952 279 T HN 0.855 nan 8.240 nan 0.000 0.540 280 P HA 0.040 nan 4.420 nan 0.000 0.245 280 P C 1.173 178.552 177.300 0.131 0.000 1.212 280 P CA 0.525 63.693 63.100 0.113 0.000 0.774 280 P CB -0.307 31.427 31.700 0.056 0.000 0.999 281 T N -3.167 111.479 114.554 0.155 0.000 3.113 281 T HA 0.029 4.375 4.350 -0.007 0.000 0.263 281 T C 1.720 176.535 174.700 0.192 0.000 1.143 281 T CA 0.330 62.539 62.100 0.181 0.000 1.090 281 T CB -0.998 68.042 68.868 0.287 0.000 0.922 281 T HN 0.064 nan 8.240 nan 0.000 0.521 282 L N -0.062 121.291 121.223 0.216 0.000 2.395 282 L HA 0.266 4.602 4.340 -0.007 0.000 0.218 282 L C 1.098 178.074 176.870 0.177 0.000 1.130 282 L CA 0.449 55.441 54.840 0.254 0.000 0.826 282 L CB -0.340 41.969 42.059 0.417 0.000 0.941 282 L HN 0.315 nan 8.230 nan 0.000 0.451 283 L N 0.809 122.103 121.223 0.118 0.000 2.391 283 L HA 0.117 4.452 4.340 -0.007 0.000 0.249 283 L C 1.493 178.378 176.870 0.024 0.000 1.308 283 L CA -0.418 54.434 54.840 0.019 0.000 1.209 283 L CB 0.237 42.306 42.059 0.017 0.000 1.401 283 L HN 0.085 nan 8.230 nan 0.000 0.416 284 A N 1.047 123.886 122.820 0.031 0.000 2.123 284 A HA 0.301 4.616 4.320 -0.007 0.000 0.214 284 A C 1.821 179.419 177.584 0.024 0.000 1.152 284 A CA 0.859 52.913 52.037 0.029 0.000 0.728 284 A CB -0.009 19.010 19.000 0.031 0.000 0.814 284 A HN 0.781 nan 8.150 nan 0.000 0.464 285 G N -0.117 108.707 108.800 0.039 0.000 2.194 285 G HA2 -0.253 3.702 3.960 -0.007 0.000 0.236 285 G HA3 -0.253 3.702 3.960 -0.007 0.000 0.236 285 G C 0.260 175.257 174.900 0.161 0.000 0.987 285 G CA 0.934 46.069 45.100 0.058 0.000 0.635 285 G HN 0.929 nan 8.290 nan 0.000 0.520 286 D N -0.499 119.989 120.400 0.147 0.000 2.538 286 D HA 0.192 4.827 4.640 -0.007 0.000 0.241 286 D C 1.029 177.387 176.300 0.097 0.000 1.297 286 D CA 0.505 54.601 54.000 0.159 0.000 0.804 286 D CB -0.477 40.367 40.800 0.074 0.000 1.122 286 D HN 0.478 nan 8.370 nan 0.000 0.519 287 K N -0.125 120.309 120.400 0.056 0.000 3.472 287 K HA -0.225 4.091 4.320 -0.007 0.000 0.315 287 K C 1.171 177.832 176.600 0.102 0.000 1.320 287 K CA 1.105 57.415 56.287 0.037 0.000 0.962 287 K CB -2.335 30.157 32.500 -0.014 0.000 1.251 287 K HN 0.324 nan 8.250 nan 0.000 0.443 288 S N 0.407 116.148 115.700 0.068 0.000 2.474 288 S HA -0.043 4.423 4.470 -0.007 0.000 0.235 288 S C 1.302 175.971 174.600 0.116 0.000 0.997 288 S CA 0.703 58.928 58.200 0.042 0.000 0.949 288 S CB -0.067 63.048 63.200 -0.142 0.000 0.766 288 S HN 0.418 nan 8.310 nan 0.000 0.517 289 L N 2.145 123.458 121.223 0.150 0.000 2.872 289 L HA 0.290 4.626 4.340 -0.007 0.000 0.245 289 L C 1.849 178.872 176.870 0.254 0.000 1.211 289 L CA 0.247 55.202 54.840 0.192 0.000 1.013 289 L CB -0.081 42.082 42.059 0.173 0.000 1.326 289 L HN 0.414 nan 8.230 nan 0.000 0.525 290 S N -0.735 115.134 115.700 0.282 0.000 2.515 290 S HA -0.148 4.318 4.470 -0.007 0.000 0.231 290 S C 1.756 176.525 174.600 0.281 0.000 0.987 290 S CA 0.664 59.049 58.200 0.309 0.000 0.936 290 S CB -0.477 62.910 63.200 0.311 0.000 0.766 290 S HN 0.661 nan 8.310 nan 0.000 0.528 291 N N 2.201 121.069 118.700 0.280 0.000 2.247 291 N HA -0.145 4.590 4.740 -0.007 0.000 0.189 291 N C 1.470 177.111 175.510 0.219 0.000 1.009 291 N CA 1.617 54.812 53.050 0.241 0.000 0.872 291 N CB -0.767 37.843 38.487 0.204 0.000 0.980 291 N HN 0.443 nan 8.380 nan 0.000 0.436 292 V N 1.479 121.515 119.914 0.203 0.000 2.453 292 V HA -0.138 3.978 4.120 -0.007 0.000 0.247 292 V C 2.615 178.838 176.094 0.215 0.000 1.048 292 V CA 0.806 63.220 62.300 0.189 0.000 1.049 292 V CB -0.373 31.537 31.823 0.145 0.000 0.672 292 V HN 0.197 nan 8.190 nan 0.000 0.457 293 I N 1.121 121.797 120.570 0.177 0.000 2.127 293 I HA -0.239 3.927 4.170 -0.007 0.000 0.241 293 I C 2.806 179.028 176.117 0.175 0.000 1.075 293 I CA 2.056 63.448 61.300 0.153 0.000 1.334 293 I CB -1.862 36.211 38.000 0.122 0.000 1.040 293 I HN 0.306 nan 8.210 nan 0.000 0.405 294 A N 0.205 123.129 122.820 0.174 0.000 1.917 294 A HA -0.317 3.999 4.320 -0.007 0.000 0.219 294 A C 2.319 179.999 177.584 0.160 0.000 1.182 294 A CA 2.371 54.495 52.037 0.145 0.000 0.633 294 A CB -1.269 17.825 19.000 0.157 0.000 0.819 294 A HN 0.585 nan 8.150 nan 0.000 0.448 295 H N -0.208 118.931 119.070 0.116 0.000 2.267 295 H HA -0.136 4.415 4.556 -0.007 0.000 0.297 295 H C 2.079 177.488 175.328 0.136 0.000 1.080 295 H CA 2.158 58.268 56.048 0.104 0.000 1.278 295 H CB 0.050 29.893 29.762 0.134 0.000 1.365 295 H HN 0.420 nan 8.280 nan 0.000 0.489 296 E N 0.342 120.752 120.200 0.351 0.000 2.110 296 E HA -0.152 4.194 4.350 -0.007 0.000 0.193 296 E C 2.618 179.403 176.600 0.307 0.000 0.988 296 E CA 1.091 57.715 56.400 0.372 0.000 0.804 296 E CB -0.317 29.599 29.700 0.360 0.000 0.745 296 E HN 0.604 nan 8.360 nan 0.000 0.458 297 I N 1.218 121.902 120.570 0.190 0.000 2.127 297 I HA -0.288 3.878 4.170 -0.007 0.000 0.241 297 I C 2.321 178.593 176.117 0.259 0.000 1.075 297 I CA 1.187 62.506 61.300 0.032 0.000 1.334 297 I CB -0.257 37.655 38.000 -0.146 0.000 1.040 297 I HN -0.019 nan 8.210 nan 0.000 0.405 298 S N -0.527 115.295 115.700 0.203 0.000 2.387 298 S HA -0.240 4.225 4.470 -0.007 0.000 0.230 298 S C 1.902 176.686 174.600 0.307 0.000 1.035 298 S CA 1.115 59.467 58.200 0.253 0.000 1.014 298 S CB -0.568 62.645 63.200 0.022 0.000 0.836 298 S HN 0.428 nan 8.310 nan 0.000 0.466 299 H N 1.566 120.733 119.070 0.162 0.000 2.518 299 H HA 0.029 4.581 4.556 -0.007 0.000 0.292 299 H C 2.095 177.474 175.328 0.085 0.000 1.068 299 H CA 1.068 57.184 56.048 0.114 0.000 1.275 299 H CB -0.386 29.418 29.762 0.070 0.000 1.375 299 H HN 0.335 nan 8.280 nan 0.000 0.563 300 S N -0.564 115.247 115.700 0.185 0.000 2.500 300 S HA -0.122 4.344 4.470 -0.007 0.000 0.239 300 S C 1.626 176.083 174.600 -0.239 0.000 0.989 300 S CA 0.528 58.620 58.200 -0.181 0.000 0.951 300 S CB 0.011 63.013 63.200 -0.330 0.000 0.759 300 S HN 0.550 nan 8.310 nan 0.000 0.523 301 W N 1.380 122.799 121.300 0.199 0.000 3.008 301 W HA 0.147 4.802 4.660 -0.008 0.000 0.259 301 W C 0.530 177.099 176.519 0.083 0.000 1.045 301 W CA 0.293 57.715 57.345 0.129 0.000 1.814 301 W CB -0.919 28.597 29.460 0.093 0.000 1.089 301 W HN 0.156 nan 8.180 nan 0.000 0.606 302 T N -0.571 114.203 114.554 0.367 0.000 2.811 302 T HA 0.591 4.936 4.350 -0.007 0.000 0.309 302 T C 0.683 175.569 174.700 0.310 0.000 1.005 302 T CA 0.491 62.743 62.100 0.253 0.000 0.955 302 T CB 0.969 69.989 68.868 0.254 0.000 0.970 302 T HN 0.382 nan 8.240 nan 0.000 0.496 303 G N 4.509 113.437 108.800 0.213 0.000 2.981 303 G HA2 -0.274 3.681 3.960 -0.007 0.000 0.199 303 G HA3 -0.274 3.681 3.960 -0.007 0.000 0.199 303 G C 0.998 175.987 174.900 0.148 0.000 1.586 303 G CA -0.025 45.211 45.100 0.226 0.000 1.162 303 G HN 0.544 nan 8.290 nan 0.000 0.538 304 N N 0.768 119.533 118.700 0.107 0.000 2.333 304 N HA 0.248 4.984 4.740 -0.007 0.000 0.178 304 N C 2.229 177.864 175.510 0.208 0.000 1.018 304 N CA 1.161 54.241 53.050 0.050 0.000 0.882 304 N CB -0.108 38.248 38.487 -0.220 0.000 0.984 304 N HN 0.501 nan 8.380 nan 0.000 0.434 305 L N -0.306 120.994 121.223 0.128 0.000 2.185 305 L HA 0.184 4.520 4.340 -0.007 0.000 0.198 305 L C 0.567 177.351 176.870 -0.143 0.000 1.079 305 L CA 0.329 55.120 54.840 -0.082 0.000 0.780 305 L CB 0.105 42.048 42.059 -0.194 0.000 0.955 305 L HN -0.026 nan 8.230 nan 0.000 0.462 306 V N 0.402 120.252 119.914 -0.106 0.000 2.398 306 V HA 0.398 4.513 4.120 -0.007 0.000 0.286 306 V C -0.588 175.456 176.094 -0.083 0.000 1.026 306 V CA -0.083 62.125 62.300 -0.154 0.000 0.868 306 V CB 1.540 33.165 31.823 -0.330 0.000 0.982 306 V HN 0.154 nan 8.190 nan 0.000 0.443 307 T N 7.036 121.540 114.554 -0.084 0.000 2.863 307 T HA 0.394 4.739 4.350 -0.007 0.000 0.285 307 T C -0.239 174.398 174.700 -0.104 0.000 1.009 307 T CA -0.561 61.519 62.100 -0.033 0.000 0.989 307 T CB 0.914 69.789 68.868 0.011 0.000 1.004 307 T HN 0.946 nan 8.240 nan 0.000 0.455 308 N N 2.149 120.784 118.700 -0.109 0.000 2.412 308 N HA 0.038 4.773 4.740 -0.007 0.000 0.254 308 N C 0.772 176.150 175.510 -0.220 0.000 1.232 308 N CA -0.397 52.556 53.050 -0.161 0.000 0.880 308 N CB 1.290 39.713 38.487 -0.107 0.000 1.076 308 N HN 0.551 nan 8.380 nan 0.000 0.458 309 K N 0.502 120.796 120.400 -0.177 0.000 2.167 309 K HA -0.062 4.253 4.320 -0.007 0.000 0.203 309 K C 0.504 176.998 176.600 -0.177 0.000 1.052 309 K CA 1.097 57.289 56.287 -0.158 0.000 0.956 309 K CB 0.155 32.575 32.500 -0.133 0.000 0.735 309 K HN 0.862 nan 8.250 nan 0.000 0.451 310 T N -5.050 109.427 114.554 -0.129 0.000 2.841 310 T HA 0.198 4.544 4.350 -0.007 0.000 0.296 310 T C -0.114 174.433 174.700 -0.256 0.000 1.166 310 T CA -0.935 61.042 62.100 -0.205 0.000 1.007 310 T CB 0.254 69.143 68.868 0.036 0.000 1.253 310 T HN 0.248 nan 8.240 nan 0.000 0.511 311 W N 0.206 121.525 121.300 0.031 0.000 2.699 311 W HA 0.132 4.786 4.660 -0.009 0.000 0.249 311 W C 1.154 177.667 176.519 -0.010 0.000 1.280 311 W CA -0.051 57.278 57.345 -0.027 0.000 1.345 311 W CB -0.176 29.198 29.460 -0.143 0.000 1.128 311 W HN 0.705 nan 8.180 nan 0.000 0.642 312 D N -1.233 119.219 120.400 0.086 0.000 2.309 312 D HA -0.139 4.496 4.640 -0.007 0.000 0.212 312 D C 1.357 177.513 176.300 -0.240 0.000 0.968 312 D CA 1.272 55.209 54.000 -0.105 0.000 0.882 312 D CB -0.279 40.354 40.800 -0.279 0.000 0.918 312 D HN 0.356 nan 8.370 nan 0.000 0.503 313 H N -1.524 117.672 119.070 0.210 0.000 2.674 313 H HA 0.078 4.631 4.556 -0.006 0.000 0.274 313 H C 1.114 176.490 175.328 0.079 0.000 1.121 313 H CA -0.433 55.706 56.048 0.152 0.000 1.132 313 H CB -0.067 29.699 29.762 0.007 0.000 1.606 313 H HN 0.032 nan 8.280 nan 0.000 0.558 314 F N 2.894 122.917 119.950 0.121 0.000 2.135 314 F HA -0.331 4.192 4.527 -0.007 0.000 0.300 314 F C 2.389 178.225 175.800 0.061 0.000 1.074 314 F CA 1.794 59.874 58.000 0.134 0.000 1.262 314 F CB -0.339 38.798 39.000 0.228 0.000 1.013 314 F HN 0.409 nan 8.300 nan 0.000 0.489 315 W N 0.602 121.879 121.300 -0.038 0.000 2.350 315 W HA -0.226 4.429 4.660 -0.008 0.000 0.289 315 W C 1.777 178.223 176.519 -0.123 0.000 1.215 315 W CA 1.238 58.480 57.345 -0.171 0.000 1.236 315 W CB -1.603 27.802 29.460 -0.092 0.000 1.130 315 W HN 0.159 nan 8.180 nan 0.000 0.541 316 L N 1.495 122.068 121.223 -1.083 0.000 2.013 316 L HA -0.313 4.022 4.340 -0.007 0.000 0.212 316 L C 2.609 179.322 176.870 -0.263 0.000 1.073 316 L CA 2.145 56.450 54.840 -0.891 0.000 0.753 316 L CB -1.206 40.418 42.059 -0.724 0.000 0.890 316 L HN -0.005 nan 8.230 nan 0.000 0.432 317 N N -0.504 118.072 118.700 -0.207 0.000 2.058 317 N HA -0.168 4.568 4.740 -0.007 0.000 0.191 317 N C 1.852 177.330 175.510 -0.053 0.000 1.037 317 N CA 1.238 54.266 53.050 -0.037 0.000 0.848 317 N CB -0.151 38.348 38.487 0.020 0.000 1.021 317 N HN 0.261 nan 8.380 nan 0.000 0.422 318 E N -0.233 119.762 120.200 -0.342 0.000 2.033 318 E HA 0.060 4.406 4.350 -0.007 0.000 0.189 318 E C 2.119 178.656 176.600 -0.106 0.000 0.979 318 E CA 0.951 57.100 56.400 -0.418 0.000 0.802 318 E CB -0.944 28.053 29.700 -1.171 0.000 0.763 318 E HN 0.386 nan 8.360 nan 0.000 0.449 319 G N 0.751 109.551 108.800 0.001 0.000 2.440 319 G HA2 -0.277 3.679 3.960 -0.007 0.000 0.218 319 G HA3 -0.277 3.679 3.960 -0.007 0.000 0.218 319 G C 1.257 176.265 174.900 0.181 0.000 1.154 319 G CA 1.148 46.359 45.100 0.185 0.000 0.767 319 G HN 0.326 nan 8.290 nan 0.000 0.552 320 H N -0.292 118.846 119.070 0.114 0.000 2.423 320 H HA 0.040 4.591 4.556 -0.008 0.000 0.297 320 H C 2.806 178.256 175.328 0.204 0.000 1.075 320 H CA 1.671 57.831 56.048 0.188 0.000 1.342 320 H CB 0.061 29.897 29.762 0.123 0.000 1.395 320 H HN 0.294 nan 8.280 nan 0.000 0.530 321 T N -0.544 114.085 114.554 0.125 0.000 2.851 321 T HA -0.071 4.275 4.350 -0.007 0.000 0.262 321 T C 2.267 176.945 174.700 -0.035 0.000 1.043 321 T CA 0.970 62.986 62.100 -0.140 0.000 1.140 321 T CB -0.234 68.184 68.868 -0.750 0.000 0.872 321 T HN 0.087 nan 8.240 nan 0.000 0.446 322 V N 0.813 120.821 119.914 0.158 0.000 2.407 322 V HA -0.186 3.930 4.120 -0.007 0.000 0.248 322 V C 2.026 178.296 176.094 0.294 0.000 1.055 322 V CA 1.590 64.045 62.300 0.259 0.000 1.049 322 V CB -0.743 31.252 31.823 0.285 0.000 0.662 322 V HN 0.512 nan 8.190 nan 0.000 0.455 323 Y N 0.022 120.578 120.300 0.426 0.000 2.181 323 Y HA -0.205 4.341 4.550 -0.007 0.000 0.288 323 Y C 2.244 178.382 175.900 0.397 0.000 1.146 323 Y CA 1.734 60.158 58.100 0.540 0.000 1.164 323 Y CB -0.062 38.644 38.460 0.409 0.000 0.982 323 Y HN 0.145 nan 8.280 nan 0.000 0.515 324 L N -0.049 121.375 121.223 0.336 0.000 2.095 324 L HA -0.139 4.197 4.340 -0.007 0.000 0.204 324 L C 2.583 179.525 176.870 0.120 0.000 1.080 324 L CA 1.609 56.590 54.840 0.234 0.000 0.759 324 L CB -0.507 41.675 42.059 0.205 0.000 0.914 324 L HN 0.330 nan 8.230 nan 0.000 0.439 325 E N 0.345 120.599 120.200 0.090 0.000 2.086 325 E HA -0.318 4.028 4.350 -0.007 0.000 0.200 325 E C 2.179 178.810 176.600 0.051 0.000 1.012 325 E CA 1.648 58.098 56.400 0.084 0.000 0.812 325 E CB -0.032 29.748 29.700 0.134 0.000 0.743 325 E HN 0.433 nan 8.360 nan 0.000 0.453 326 R N -0.879 119.597 120.500 -0.040 0.000 2.148 326 R HA -0.058 4.278 4.340 -0.007 0.000 0.223 326 R C 2.519 178.744 176.300 -0.125 0.000 1.088 326 R CA 1.009 57.028 56.100 -0.135 0.000 0.985 326 R CB -0.228 29.889 30.300 -0.305 0.000 0.880 326 R HN 0.365 nan 8.270 nan 0.000 0.451 327 H N 0.587 119.621 119.070 -0.060 0.000 2.357 327 H HA -0.027 4.525 4.556 -0.007 0.000 0.301 327 H C 2.161 177.497 175.328 0.014 0.000 1.082 327 H CA 1.321 57.351 56.048 -0.031 0.000 1.342 327 H CB 0.007 29.730 29.762 -0.066 0.000 1.389 327 H HN 0.145 nan 8.280 nan 0.000 0.511 328 I N -0.115 120.536 120.570 0.134 0.000 2.163 328 I HA -0.311 3.854 4.170 -0.007 0.000 0.243 328 I C 2.711 178.881 176.117 0.090 0.000 1.085 328 I CA 1.035 62.383 61.300 0.079 0.000 1.347 328 I CB -0.292 37.745 38.000 0.062 0.000 1.044 328 I HN 0.206 nan 8.210 nan 0.000 0.408 329 C N 0.806 120.206 119.300 0.167 0.000 2.425 329 C HA -0.080 4.375 4.460 -0.007 0.000 0.277 329 C C 2.991 178.200 174.990 0.364 0.000 1.280 329 C CA 0.955 60.174 59.018 0.334 0.000 1.744 329 C CB -1.750 26.253 27.740 0.438 0.000 1.989 329 C HN 0.689 nan 8.230 nan 0.000 0.491 330 G N 0.222 109.172 108.800 0.250 0.000 2.440 330 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.218 330 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.218 330 G C 1.831 176.820 174.900 0.147 0.000 1.154 330 G CA 0.495 45.732 45.100 0.227 0.000 0.767 330 G HN 0.446 nan 8.290 nan 0.000 0.552 331 R N -0.164 120.390 120.500 0.090 0.000 2.081 331 R HA 0.092 4.428 4.340 -0.007 0.000 0.235 331 R C 2.656 178.904 176.300 -0.086 0.000 1.131 331 R CA 0.693 56.804 56.100 0.019 0.000 0.960 331 R CB -0.766 29.535 30.300 0.002 0.000 0.856 331 R HN 0.390 nan 8.270 nan 0.000 0.436 332 L N -0.935 120.155 121.223 -0.221 0.000 2.072 332 L HA -0.075 4.261 4.340 -0.007 0.000 0.205 332 L C 1.171 177.638 176.870 -0.672 0.000 1.079 332 L CA 1.268 55.753 54.840 -0.591 0.000 0.752 332 L CB -0.047 41.391 42.059 -1.034 0.000 0.906 332 L HN 0.096 nan 8.230 nan 0.000 0.436 333 F N -1.140 118.810 119.950 -0.001 0.000 2.798 333 F HA 0.471 4.994 4.527 -0.007 0.000 0.328 333 F C 0.800 176.589 175.800 -0.020 0.000 1.098 333 F CA -0.007 57.933 58.000 -0.100 0.000 1.172 333 F CB 0.563 39.340 39.000 -0.372 0.000 1.072 333 F HN -0.026 nan 8.300 nan 0.000 0.555 334 G N 0.925 109.845 108.800 0.200 0.000 2.576 334 G HA2 -0.104 3.852 3.960 -0.007 0.000 0.686 334 G HA3 -0.104 3.852 3.960 -0.007 0.000 0.686 334 G C 0.070 175.106 174.900 0.227 0.000 1.242 334 G CA -0.382 44.820 45.100 0.170 0.000 0.819 334 G HN 0.030 nan 8.290 nan 0.000 0.655 335 E N 0.387 120.697 120.200 0.184 0.000 2.130 335 E HA -0.112 4.233 4.350 -0.007 0.000 0.196 335 E C 2.239 178.985 176.600 0.243 0.000 0.998 335 E CA 2.293 58.821 56.400 0.214 0.000 0.806 335 E CB -0.096 29.701 29.700 0.161 0.000 0.738 335 E HN 0.611 nan 8.360 nan 0.000 0.459 336 K N -1.019 119.490 120.400 0.183 0.000 2.211 336 K HA -0.101 4.215 4.320 -0.007 0.000 0.203 336 K C 1.860 178.646 176.600 0.311 0.000 1.050 336 K CA 0.968 57.369 56.287 0.190 0.000 0.945 336 K CB -0.242 32.334 32.500 0.126 0.000 0.732 336 K HN 0.150 nan 8.250 nan 0.000 0.451 337 F N 1.969 122.004 119.950 0.142 0.000 2.163 337 F HA -0.084 4.439 4.527 -0.007 0.000 0.297 337 F C 2.412 178.337 175.800 0.208 0.000 1.094 337 F CA 1.147 59.232 58.000 0.140 0.000 1.290 337 F CB -0.149 38.896 39.000 0.075 0.000 1.017 337 F HN -0.148 nan 8.300 nan 0.000 0.483 338 R N -0.571 120.051 120.500 0.203 0.000 2.096 338 R HA -0.229 4.107 4.340 -0.007 0.000 0.240 338 R C 2.408 178.715 176.300 0.011 0.000 1.139 338 R CA 2.200 58.325 56.100 0.042 0.000 0.952 338 R CB -0.771 29.577 30.300 0.080 0.000 0.854 338 R HN 0.428 nan 8.270 nan 0.000 0.436 339 H N -1.297 117.823 119.070 0.085 0.000 2.421 339 H HA -0.164 4.388 4.556 -0.007 0.000 0.298 339 H C 1.929 177.334 175.328 0.128 0.000 1.087 339 H CA 1.566 57.717 56.048 0.171 0.000 1.330 339 H CB -0.127 29.796 29.762 0.269 0.000 1.388 339 H HN 0.291 nan 8.280 nan 0.000 0.526 340 F N 2.189 122.161 119.950 0.036 0.000 2.113 340 F HA -0.162 4.361 4.527 -0.006 0.000 0.297 340 F C 1.778 177.457 175.800 -0.202 0.000 1.103 340 F CA 1.560 59.517 58.000 -0.071 0.000 1.248 340 F CB -0.275 38.673 39.000 -0.088 0.000 0.999 340 F HN 0.009 nan 8.300 nan 0.000 0.475 341 N N 0.194 118.689 118.700 -0.341 0.000 2.270 341 N HA -0.031 4.705 4.740 -0.007 0.000 0.181 341 N C 1.950 177.205 175.510 -0.424 0.000 1.016 341 N CA 0.833 53.606 53.050 -0.461 0.000 0.870 341 N CB -0.295 37.924 38.487 -0.446 0.000 0.979 341 N HN 0.378 nan 8.380 nan 0.000 0.431 342 A N 0.974 123.582 122.820 -0.353 0.000 1.898 342 A HA -0.085 4.231 4.320 -0.007 0.000 0.216 342 A C 2.081 179.565 177.584 -0.167 0.000 1.181 342 A CA 0.984 52.860 52.037 -0.269 0.000 0.620 342 A CB -0.631 18.219 19.000 -0.251 0.000 0.819 342 A HN 0.245 nan 8.150 nan 0.000 0.442 343 L N 0.139 121.166 121.223 -0.326 0.000 2.056 343 L HA 0.055 4.391 4.340 -0.007 0.000 0.207 343 L C 2.364 179.019 176.870 -0.359 0.000 1.078 343 L CA 2.211 56.666 54.840 -0.642 0.000 0.749 343 L CB -1.141 40.606 42.059 -0.520 0.000 0.901 343 L HN 0.290 nan 8.230 nan 0.000 0.433 344 G N -0.963 107.602 108.800 -0.391 0.000 2.450 344 G HA2 -0.230 3.725 3.960 -0.007 0.000 0.220 344 G HA3 -0.230 3.725 3.960 -0.007 0.000 0.220 344 G C 1.491 176.268 174.900 -0.205 0.000 1.130 344 G CA 0.617 45.517 45.100 -0.334 0.000 0.760 344 G HN 0.593 nan 8.290 nan 0.000 0.557 345 G N -0.200 108.484 108.800 -0.194 0.000 2.403 345 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.216 345 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.216 345 G C 1.565 176.467 174.900 0.004 0.000 1.154 345 G CA 0.765 45.795 45.100 -0.117 0.000 0.784 345 G HN 0.409 nan 8.290 nan 0.000 0.538 346 W N 2.078 123.313 121.300 -0.108 0.000 2.338 346 W HA -0.115 4.541 4.660 -0.005 0.000 0.304 346 W C 2.194 178.661 176.519 -0.087 0.000 1.212 346 W CA 1.735 59.045 57.345 -0.058 0.000 1.264 346 W CB -0.523 28.855 29.460 -0.136 0.000 1.142 346 W HN 0.217 nan 8.180 nan 0.000 0.512 347 G N 0.375 109.194 108.800 0.032 0.000 2.422 347 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.218 347 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.218 347 G C 1.372 176.204 174.900 -0.114 0.000 1.146 347 G CA 0.863 45.938 45.100 -0.041 0.000 0.769 347 G HN 0.194 nan 8.290 nan 0.000 0.547 348 E N 0.037 120.168 120.200 -0.115 0.000 2.110 348 E HA -0.082 4.264 4.350 -0.007 0.000 0.193 348 E C 2.467 178.983 176.600 -0.142 0.000 0.988 348 E CA 0.495 56.827 56.400 -0.114 0.000 0.804 348 E CB -0.351 29.286 29.700 -0.104 0.000 0.745 348 E HN 0.394 nan 8.360 nan 0.000 0.458 349 L N 1.507 122.614 121.223 -0.193 0.000 2.046 349 L HA -0.194 4.142 4.340 -0.007 0.000 0.208 349 L C 2.188 178.877 176.870 -0.302 0.000 1.077 349 L CA 1.746 56.431 54.840 -0.258 0.000 0.747 349 L CB -0.499 41.328 42.059 -0.386 0.000 0.896 349 L HN 0.053 nan 8.230 nan 0.000 0.432 350 Q N -0.608 118.973 119.800 -0.365 0.000 2.061 350 Q HA -0.233 4.103 4.340 -0.007 0.000 0.204 350 Q C 1.967 177.873 176.000 -0.156 0.000 0.984 350 Q CA 1.876 57.528 55.803 -0.252 0.000 0.846 350 Q CB -0.294 28.342 28.738 -0.170 0.000 0.902 350 Q HN 0.569 nan 8.270 nan 0.000 0.421 351 N N -0.006 118.610 118.700 -0.139 0.000 2.069 351 N HA -0.115 4.620 4.740 -0.007 0.000 0.191 351 N C 1.824 177.250 175.510 -0.139 0.000 1.031 351 N CA 1.329 54.306 53.050 -0.122 0.000 0.852 351 N CB -0.477 37.945 38.487 -0.109 0.000 1.018 351 N HN 0.034 nan 8.380 nan 0.000 0.423 352 S N 0.054 115.672 115.700 -0.137 0.000 2.368 352 S HA -0.014 4.452 4.470 -0.007 0.000 0.224 352 S C 2.139 176.710 174.600 -0.047 0.000 1.029 352 S CA 0.542 58.657 58.200 -0.142 0.000 0.988 352 S CB -0.152 63.019 63.200 -0.048 0.000 0.838 352 S HN 0.079 nan 8.310 nan 0.000 0.462 353 V N 1.656 121.556 119.914 -0.024 0.000 2.515 353 V HA -0.136 3.980 4.120 -0.007 0.000 0.250 353 V C 2.347 178.439 176.094 -0.005 0.000 1.058 353 V CA 1.535 63.845 62.300 0.017 0.000 1.064 353 V CB -0.436 31.347 31.823 -0.067 0.000 0.675 353 V HN 0.393 nan 8.190 nan 0.000 0.461 354 K N -0.302 120.063 120.400 -0.058 0.000 2.025 354 K HA -0.151 4.165 4.320 -0.007 0.000 0.207 354 K C 2.252 178.810 176.600 -0.069 0.000 1.049 354 K CA 1.810 58.062 56.287 -0.057 0.000 0.933 354 K CB -0.233 32.225 32.500 -0.070 0.000 0.714 354 K HN 0.482 nan 8.250 nan 0.000 0.438 355 T N 0.767 115.241 114.554 -0.133 0.000 2.684 355 T HA -0.130 4.216 4.350 -0.007 0.000 0.267 355 T C 1.562 176.150 174.700 -0.188 0.000 1.036 355 T CA 1.443 63.420 62.100 -0.205 0.000 1.148 355 T CB -0.286 68.372 68.868 -0.349 0.000 0.863 355 T HN 0.097 nan 8.240 nan 0.000 0.436 356 F N 1.337 121.207 119.950 -0.133 0.000 2.163 356 F HA 0.321 4.845 4.527 -0.005 0.000 0.297 356 F C 1.817 177.547 175.800 -0.117 0.000 1.094 356 F CA 0.688 58.539 58.000 -0.248 0.000 1.290 356 F CB -0.722 38.081 39.000 -0.329 0.000 1.017 356 F HN 0.395 nan 8.300 nan 0.000 0.483 357 G N 0.169 109.051 108.800 0.138 0.000 2.906 357 G HA2 -0.114 3.842 3.960 -0.007 0.000 0.686 357 G HA3 -0.114 3.842 3.960 -0.007 0.000 0.686 357 G C 0.374 175.336 174.900 0.103 0.000 1.170 357 G CA -0.234 44.924 45.100 0.097 0.000 0.775 357 G HN 0.390 nan 8.290 nan 0.000 0.630 358 E N -0.167 120.061 120.200 0.048 0.000 2.515 358 E HA -0.026 4.320 4.350 -0.007 0.000 0.201 358 E C 1.695 178.306 176.600 0.018 0.000 1.071 358 E CA 1.526 57.940 56.400 0.022 0.000 0.880 358 E CB -0.011 29.685 29.700 -0.007 0.000 0.828 358 E HN 0.945 nan 8.360 nan 0.000 0.540 359 T N -3.133 111.440 114.554 0.031 0.000 3.040 359 T HA 0.035 4.380 4.350 -0.007 0.000 0.266 359 T C 0.254 174.950 174.700 -0.006 0.000 1.005 359 T CA -0.483 61.619 62.100 0.003 0.000 0.906 359 T CB -0.416 68.444 68.868 -0.014 0.000 1.082 359 T HN 0.264 nan 8.240 nan 0.000 0.531 360 H N 3.216 122.245 119.070 -0.069 0.000 3.034 360 H HA 0.165 4.721 4.556 0.001 0.000 0.324 360 H C -1.546 173.679 175.328 -0.172 0.000 1.015 360 H CA -0.804 55.155 56.048 -0.149 0.000 1.429 360 H CB 1.081 30.751 29.762 -0.153 0.000 1.429 360 H HN -0.008 nan 8.280 nan 0.000 0.585 361 P HA -0.207 nan 4.420 nan 0.000 0.216 361 P C 0.845 178.209 177.300 0.108 0.000 1.150 361 P CA 1.150 64.159 63.100 -0.152 0.000 0.837 361 P CB 0.107 31.660 31.700 -0.246 0.000 0.786 362 F N -0.091 119.865 119.950 0.011 0.000 2.722 362 F HA -0.029 4.497 4.527 -0.002 0.000 0.298 362 F C 1.851 177.497 175.800 -0.257 0.000 1.175 362 F CA 1.070 58.932 58.000 -0.230 0.000 1.462 362 F CB -2.057 36.511 39.000 -0.721 0.000 1.111 362 F HN 0.081 nan 8.300 nan 0.000 0.592 363 T N -3.291 111.286 114.554 0.039 0.000 3.086 363 T HA 0.118 4.464 4.350 -0.007 0.000 0.250 363 T C 0.637 175.350 174.700 0.022 0.000 1.074 363 T CA -0.316 61.808 62.100 0.040 0.000 0.988 363 T CB -0.149 68.755 68.868 0.061 0.000 0.988 363 T HN 0.003 nan 8.240 nan 0.000 0.530 364 K N 0.706 121.129 120.400 0.038 0.000 2.237 364 K HA 0.377 4.693 4.320 -0.007 0.000 0.270 364 K C 0.770 177.371 176.600 0.001 0.000 1.015 364 K CA -0.628 55.671 56.287 0.020 0.000 0.949 364 K CB 1.097 33.636 32.500 0.064 0.000 0.976 364 K HN -0.095 nan 8.250 nan 0.000 0.472 365 L N 2.530 123.704 121.223 -0.081 0.000 2.027 365 L HA -0.060 4.275 4.340 -0.007 0.000 0.206 365 L C 0.227 177.052 176.870 -0.074 0.000 1.074 365 L CA 1.614 56.353 54.840 -0.168 0.000 0.745 365 L CB 0.330 42.126 42.059 -0.439 0.000 0.898 365 L HN 0.363 nan 8.230 nan 0.000 0.433 366 V N 1.311 121.193 119.914 -0.053 0.000 2.407 366 V HA 0.392 4.508 4.120 -0.007 0.000 0.278 366 V C -0.214 175.957 176.094 0.127 0.000 1.037 366 V CA -0.485 61.878 62.300 0.105 0.000 0.900 366 V CB 1.114 33.045 31.823 0.180 0.000 0.983 366 V HN 0.093 nan 8.190 nan 0.000 0.459 367 V N 1.288 121.265 119.914 0.105 0.000 2.715 367 V HA 0.678 4.794 4.120 -0.007 0.000 0.310 367 V C -0.497 175.644 176.094 0.079 0.000 1.054 367 V CA -0.817 61.546 62.300 0.105 0.000 0.928 367 V CB 2.040 33.923 31.823 0.099 0.000 1.007 367 V HN 0.770 nan 8.190 nan 0.000 0.437 368 D N 3.090 123.544 120.400 0.090 0.000 2.365 368 D HA 0.293 4.928 4.640 -0.007 0.000 0.237 368 D C 0.505 176.855 176.300 0.083 0.000 1.190 368 D CA -0.023 54.023 54.000 0.076 0.000 0.867 368 D CB 0.978 41.821 40.800 0.072 0.000 1.050 368 D HN 0.655 nan 8.370 nan 0.000 0.491 369 L N 3.378 124.647 121.223 0.077 0.000 2.629 369 L HA 0.037 4.372 4.340 -0.007 0.000 0.230 369 L C 1.945 178.880 176.870 0.107 0.000 1.151 369 L CA -0.062 54.823 54.840 0.076 0.000 0.924 369 L CB -0.186 41.912 42.059 0.064 0.000 1.137 369 L HN 0.419 nan 8.230 nan 0.000 0.457 370 T N -0.266 114.350 114.554 0.104 0.000 2.649 370 T HA -0.233 4.113 4.350 -0.007 0.000 0.268 370 T C 0.954 175.736 174.700 0.137 0.000 1.036 370 T CA 1.680 63.843 62.100 0.106 0.000 1.157 370 T CB -0.071 68.844 68.868 0.079 0.000 0.861 370 T HN 0.344 nan 8.240 nan 0.000 0.445 371 D N 0.339 120.826 120.400 0.146 0.000 2.623 371 D HA 0.227 4.863 4.640 -0.007 0.000 0.252 371 D C -0.588 175.852 176.300 0.233 0.000 1.294 371 D CA -0.111 54.007 54.000 0.195 0.000 0.824 371 D CB 0.464 41.341 40.800 0.129 0.000 1.070 371 D HN 0.275 nan 8.370 nan 0.000 0.487 372 I N 1.254 121.926 120.570 0.171 0.000 2.406 372 I HA 0.137 4.302 4.170 -0.007 0.000 0.290 372 I C 0.390 176.333 176.117 -0.289 0.000 0.999 372 I CA -0.855 60.457 61.300 0.019 0.000 1.124 372 I CB 1.659 39.695 38.000 0.059 0.000 1.289 372 I HN -0.183 nan 8.210 nan 0.000 0.441 373 D N 9.053 129.000 120.400 -0.755 0.000 2.434 373 D HA 0.076 4.712 4.640 -0.007 0.000 0.252 373 D C -1.662 174.329 176.300 -0.515 0.000 1.185 373 D CA -1.477 51.859 54.000 -1.108 0.000 0.886 373 D CB 1.600 41.807 40.800 -0.988 0.000 1.148 373 D HN 0.205 nan 8.370 nan 0.000 0.483 374 P HA -0.127 nan 4.420 nan 0.000 0.217 374 P C 0.698 177.802 177.300 -0.326 0.000 1.148 374 P CA 0.847 63.708 63.100 -0.398 0.000 0.828 374 P CB 0.312 31.687 31.700 -0.541 0.000 0.783 375 D N -1.158 119.077 120.400 -0.276 0.000 2.178 375 D HA -0.093 4.543 4.640 -0.007 0.000 0.201 375 D C 1.932 178.185 176.300 -0.079 0.000 0.980 375 D CA 0.941 54.853 54.000 -0.147 0.000 0.842 375 D CB -0.534 40.219 40.800 -0.079 0.000 0.948 375 D HN 0.030 nan 8.370 nan 0.000 0.472 376 V N 1.019 120.854 119.914 -0.132 0.000 2.488 376 V HA -0.107 4.008 4.120 -0.007 0.000 0.246 376 V C 2.399 178.433 176.094 -0.100 0.000 1.046 376 V CA 1.532 63.807 62.300 -0.042 0.000 1.053 376 V CB -0.498 31.319 31.823 -0.010 0.000 0.679 376 V HN 0.161 nan 8.190 nan 0.000 0.458 377 A N -1.307 121.248 122.820 -0.441 0.000 2.066 377 A HA -0.068 4.247 4.320 -0.007 0.000 0.218 377 A C 1.187 178.570 177.584 -0.335 0.000 1.157 377 A CA 0.216 51.683 52.037 -0.950 0.000 0.670 377 A CB -0.515 17.873 19.000 -1.021 0.000 0.804 377 A HN 0.556 nan 8.150 nan 0.000 0.453 378 Y N 1.960 122.140 120.300 -0.200 0.000 2.712 378 Y HA 0.294 4.839 4.550 -0.008 0.000 0.333 378 Y C 0.720 176.703 175.900 0.139 0.000 1.225 378 Y CA 0.568 58.657 58.100 -0.019 0.000 1.499 378 Y CB 0.384 38.826 38.460 -0.030 0.000 1.288 378 Y HN 0.417 nan 8.280 nan 0.000 0.575 379 S N 1.227 116.701 115.700 -0.377 0.000 2.714 379 S HA 0.233 4.698 4.470 -0.007 0.000 0.280 379 S C 0.075 174.552 174.600 -0.206 0.000 1.200 379 S CA -0.334 57.753 58.200 -0.189 0.000 0.900 379 S CB 0.799 64.130 63.200 0.219 0.000 1.235 379 S HN 0.436 nan 8.310 nan 0.000 0.512 380 S N 0.210 115.859 115.700 -0.085 0.000 2.522 380 S HA 0.056 4.522 4.470 -0.007 0.000 0.227 380 S C 1.791 176.479 174.600 0.145 0.000 0.986 380 S CA 0.769 58.946 58.200 -0.039 0.000 0.929 380 S CB -0.494 62.645 63.200 -0.102 0.000 0.769 380 S HN 0.527 nan 8.310 nan 0.000 0.529 381 V N 3.335 123.337 119.914 0.147 0.000 2.252 381 V HA -0.152 3.964 4.120 -0.007 0.000 0.249 381 V C -0.522 175.666 176.094 0.157 0.000 1.056 381 V CA 1.895 64.277 62.300 0.136 0.000 1.022 381 V CB -1.605 30.300 31.823 0.136 0.000 0.641 381 V HN 0.362 nan 8.190 nan 0.000 0.445 382 P HA -0.149 nan 4.420 nan 0.000 0.218 382 P C 1.240 178.586 177.300 0.076 0.000 1.149 382 P CA 1.622 64.798 63.100 0.127 0.000 0.817 382 P CB -0.102 31.642 31.700 0.074 0.000 0.785 383 Y N 0.808 121.133 120.300 0.041 0.000 2.070 383 Y HA -0.140 4.405 4.550 -0.008 0.000 0.279 383 Y C 2.717 178.708 175.900 0.151 0.000 1.134 383 Y CA 1.481 59.627 58.100 0.077 0.000 1.113 383 Y CB -1.049 37.424 38.460 0.021 0.000 0.981 383 Y HN -0.086 nan 8.280 nan 0.000 0.487 384 E N 0.050 120.428 120.200 0.296 0.000 2.122 384 E HA -0.106 4.240 4.350 -0.007 0.000 0.190 384 E C 2.052 178.812 176.600 0.266 0.000 0.977 384 E CA 0.643 57.191 56.400 0.248 0.000 0.820 384 E CB -0.235 29.527 29.700 0.104 0.000 0.770 384 E HN 0.376 nan 8.360 nan 0.000 0.462 385 K N 0.561 121.063 120.400 0.170 0.000 2.097 385 K HA -0.073 4.242 4.320 -0.007 0.000 0.205 385 K C 2.084 178.799 176.600 0.192 0.000 1.050 385 K CA 1.202 57.585 56.287 0.160 0.000 0.938 385 K CB -0.243 32.287 32.500 0.050 0.000 0.718 385 K HN 0.118 nan 8.250 nan 0.000 0.442 386 G N 0.865 109.773 108.800 0.180 0.000 2.459 386 G HA2 -0.304 3.651 3.960 -0.007 0.000 0.217 386 G HA3 -0.304 3.651 3.960 -0.007 0.000 0.217 386 G C 1.320 176.362 174.900 0.236 0.000 1.183 386 G CA 0.842 46.077 45.100 0.225 0.000 0.776 386 G HN 0.410 nan 8.290 nan 0.000 0.552 387 F N 2.449 122.511 119.950 0.188 0.000 2.102 387 F HA 0.089 4.611 4.527 -0.008 0.000 0.298 387 F C 2.816 178.771 175.800 0.259 0.000 1.105 387 F CA 1.416 59.546 58.000 0.217 0.000 1.239 387 F CB -0.369 38.750 39.000 0.198 0.000 0.991 387 F HN 0.236 nan 8.300 nan 0.000 0.474 388 A N 0.704 123.733 122.820 0.348 0.000 1.917 388 A HA -0.233 4.083 4.320 -0.007 0.000 0.219 388 A C 2.138 179.806 177.584 0.140 0.000 1.182 388 A CA 1.900 54.189 52.037 0.420 0.000 0.633 388 A CB -1.417 18.017 19.000 0.723 0.000 0.819 388 A HN 0.530 nan 8.150 nan 0.000 0.448 389 L N -0.217 120.971 121.223 -0.057 0.000 2.013 389 L HA -0.169 4.167 4.340 -0.007 0.000 0.212 389 L C 2.265 178.867 176.870 -0.447 0.000 1.073 389 L CA 1.968 56.417 54.840 -0.652 0.000 0.753 389 L CB -0.557 41.165 42.059 -0.561 0.000 0.890 389 L HN 0.438 nan 8.230 nan 0.000 0.432 390 L N -2.425 118.607 121.223 -0.319 0.000 2.179 390 L HA -0.135 4.200 4.340 -0.007 0.000 0.208 390 L C 2.349 178.858 176.870 -0.602 0.000 1.096 390 L CA 0.624 55.193 54.840 -0.451 0.000 0.779 390 L CB -0.628 41.194 42.059 -0.394 0.000 0.922 390 L HN 0.226 nan 8.230 nan 0.000 0.443 391 F N 0.121 119.699 119.950 -0.620 0.000 2.146 391 F HA -0.243 4.279 4.527 -0.008 0.000 0.298 391 F C 2.585 178.148 175.800 -0.395 0.000 1.096 391 F CA 1.082 58.782 58.000 -0.500 0.000 1.275 391 F CB -0.563 38.076 39.000 -0.602 0.000 1.008 391 F HN 0.024 nan 8.300 nan 0.000 0.480 392 Y N 0.847 120.877 120.300 -0.450 0.000 2.081 392 Y HA -0.275 4.271 4.550 -0.007 0.000 0.280 392 Y C 2.108 177.660 175.900 -0.580 0.000 1.163 392 Y CA 2.133 59.937 58.100 -0.492 0.000 1.135 392 Y CB -0.946 37.254 38.460 -0.433 0.000 0.970 392 Y HN 0.109 nan 8.280 nan 0.000 0.498 393 L N 0.233 120.928 121.223 -0.880 0.000 2.083 393 L HA -0.211 4.125 4.340 -0.007 0.000 0.209 393 L C 2.623 178.889 176.870 -1.005 0.000 1.083 393 L CA 1.859 56.109 54.840 -0.983 0.000 0.752 393 L CB -0.766 40.833 42.059 -0.767 0.000 0.899 393 L HN 0.338 nan 8.230 nan 0.000 0.433 394 E N 0.327 119.828 120.200 -1.166 0.000 2.049 394 E HA -0.306 4.040 4.350 -0.007 0.000 0.198 394 E C 2.154 178.483 176.600 -0.453 0.000 1.007 394 E CA 1.782 57.715 56.400 -0.778 0.000 0.809 394 E CB -0.028 29.422 29.700 -0.416 0.000 0.749 394 E HN 0.564 nan 8.360 nan 0.000 0.450 395 Q N -0.157 119.326 119.800 -0.529 0.000 2.123 395 Q HA -0.133 4.203 4.340 -0.007 0.000 0.199 395 Q C 2.332 178.113 176.000 -0.366 0.000 0.966 395 Q CA 0.837 56.390 55.803 -0.417 0.000 0.845 395 Q CB -0.055 28.385 28.738 -0.497 0.000 0.907 395 Q HN 0.265 nan 8.270 nan 0.000 0.439 396 L N 0.297 121.223 121.223 -0.495 0.000 2.046 396 L HA -0.124 4.212 4.340 -0.007 0.000 0.208 396 L C 1.627 178.267 176.870 -0.383 0.000 1.077 396 L CA 1.691 56.245 54.840 -0.478 0.000 0.747 396 L CB -0.036 41.578 42.059 -0.743 0.000 0.896 396 L HN 0.167 nan 8.230 nan 0.000 0.432 397 L N -1.647 119.328 121.223 -0.413 0.000 2.640 397 L HA 0.360 4.696 4.340 -0.007 0.000 0.230 397 L C 1.208 177.979 176.870 -0.166 0.000 1.123 397 L CA 0.539 55.152 54.840 -0.378 0.000 0.900 397 L CB 0.109 41.764 42.059 -0.673 0.000 1.146 397 L HN 0.439 nan 8.230 nan 0.000 0.484 398 G N -1.192 107.537 108.800 -0.118 0.000 2.273 398 G HA2 0.128 4.084 3.960 -0.007 0.000 0.162 398 G HA3 0.128 4.084 3.960 -0.007 0.000 0.162 398 G C 0.438 175.350 174.900 0.021 0.000 1.006 398 G CA -0.346 44.739 45.100 -0.025 0.000 0.704 398 G HN 0.675 nan 8.290 nan 0.000 0.487 399 G N -0.563 108.246 108.800 0.016 0.000 2.462 399 G HA2 0.392 4.347 3.960 -0.007 0.000 0.685 399 G HA3 0.392 4.347 3.960 -0.007 0.000 0.685 399 G C -1.235 173.781 174.900 0.192 0.000 1.295 399 G CA 0.269 45.412 45.100 0.072 0.000 0.941 399 G HN 0.513 nan 8.290 nan 0.000 0.554 400 P HA -0.056 nan 4.420 nan 0.000 0.217 400 P C 1.271 178.753 177.300 0.303 0.000 1.150 400 P CA 1.885 65.218 63.100 0.388 0.000 0.832 400 P CB 0.063 32.025 31.700 0.438 0.000 0.787 401 E N -0.428 119.900 120.200 0.214 0.000 2.107 401 E HA -0.081 4.264 4.350 -0.007 0.000 0.191 401 E C 2.263 178.980 176.600 0.194 0.000 0.982 401 E CA 0.663 57.159 56.400 0.160 0.000 0.809 401 E CB -0.479 29.292 29.700 0.119 0.000 0.756 401 E HN 0.249 nan 8.360 nan 0.000 0.459 402 I N 0.313 121.029 120.570 0.242 0.000 2.202 402 I HA -0.248 3.918 4.170 -0.007 0.000 0.242 402 I C 2.131 178.517 176.117 0.450 0.000 1.091 402 I CA 0.972 62.465 61.300 0.321 0.000 1.368 402 I CB -0.077 38.108 38.000 0.310 0.000 1.058 402 I HN 0.042 nan 8.210 nan 0.000 0.410 403 F N 0.649 120.784 119.950 0.309 0.000 2.293 403 F HA -0.111 4.411 4.527 -0.008 0.000 0.300 403 F C 2.119 178.123 175.800 0.341 0.000 1.086 403 F CA 1.293 59.511 58.000 0.364 0.000 1.375 403 F CB -0.068 39.079 39.000 0.246 0.000 1.045 403 F HN -0.080 nan 8.300 nan 0.000 0.516 404 L N -0.997 120.418 121.223 0.320 0.000 2.156 404 L HA -0.086 4.249 4.340 -0.007 0.000 0.208 404 L C 2.679 179.568 176.870 0.031 0.000 1.095 404 L CA 1.078 56.004 54.840 0.143 0.000 0.770 404 L CB -1.230 40.835 42.059 0.010 0.000 0.914 404 L HN 0.236 nan 8.230 nan 0.000 0.439 405 G N -0.170 108.668 108.800 0.063 0.000 2.422 405 G HA2 -0.342 3.614 3.960 -0.007 0.000 0.218 405 G HA3 -0.342 3.614 3.960 -0.007 0.000 0.218 405 G C 1.452 176.215 174.900 -0.228 0.000 1.146 405 G CA 0.627 45.741 45.100 0.023 0.000 0.769 405 G HN 0.349 nan 8.290 nan 0.000 0.547 406 F N 0.870 120.472 119.950 -0.579 0.000 2.113 406 F HA 0.058 4.581 4.527 -0.008 0.000 0.297 406 F C 2.253 177.763 175.800 -0.483 0.000 1.103 406 F CA 1.055 58.372 58.000 -1.138 0.000 1.248 406 F CB -0.436 37.943 39.000 -1.036 0.000 0.999 406 F HN 0.088 nan 8.300 nan 0.000 0.475 407 L N 1.289 122.201 121.223 -0.519 0.000 2.013 407 L HA -0.239 4.097 4.340 -0.007 0.000 0.212 407 L C 2.556 179.328 176.870 -0.162 0.000 1.073 407 L CA 2.227 56.913 54.840 -0.258 0.000 0.753 407 L CB -1.073 41.022 42.059 0.060 0.000 0.890 407 L HN 0.260 nan 8.230 nan 0.000 0.432 408 K N -1.139 119.167 120.400 -0.157 0.000 2.063 408 K HA -0.190 4.126 4.320 -0.007 0.000 0.208 408 K C 1.968 178.482 176.600 -0.143 0.000 1.048 408 K CA 1.423 57.634 56.287 -0.126 0.000 0.928 408 K CB -0.243 32.202 32.500 -0.092 0.000 0.713 408 K HN 0.440 nan 8.250 nan 0.000 0.442 409 A N 0.228 122.936 122.820 -0.187 0.000 1.930 409 A HA -0.187 4.128 4.320 -0.007 0.000 0.217 409 A C 2.027 179.508 177.584 -0.171 0.000 1.175 409 A CA 1.401 53.383 52.037 -0.092 0.000 0.627 409 A CB -0.805 18.209 19.000 0.024 0.000 0.815 409 A HN 0.621 nan 8.150 nan 0.000 0.443 410 Y N 0.627 120.678 120.300 -0.415 0.000 2.200 410 Y HA -0.147 4.398 4.550 -0.008 0.000 0.290 410 Y C 2.144 177.837 175.900 -0.346 0.000 1.137 410 Y CA 1.839 59.625 58.100 -0.523 0.000 1.163 410 Y CB -0.413 37.639 38.460 -0.681 0.000 0.988 410 Y HN 0.046 nan 8.280 nan 0.000 0.518 411 V N 1.456 121.120 119.914 -0.415 0.000 2.295 411 V HA -0.291 3.824 4.120 -0.007 0.000 0.246 411 V C 2.204 178.117 176.094 -0.303 0.000 1.049 411 V CA 2.346 64.442 62.300 -0.339 0.000 1.024 411 V CB -0.717 31.068 31.823 -0.063 0.000 0.648 411 V HN 0.481 nan 8.190 nan 0.000 0.447 412 E N 0.438 120.488 120.200 -0.250 0.000 2.051 412 E HA -0.306 4.040 4.350 -0.007 0.000 0.192 412 E C 2.192 178.590 176.600 -0.338 0.000 0.991 412 E CA 1.454 57.723 56.400 -0.218 0.000 0.799 412 E CB -0.264 29.352 29.700 -0.140 0.000 0.748 412 E HN 0.411 nan 8.360 nan 0.000 0.449 413 K N 0.803 120.877 120.400 -0.545 0.000 2.063 413 K HA -0.139 4.176 4.320 -0.007 0.000 0.208 413 K C 1.081 177.133 176.600 -0.914 0.000 1.048 413 K CA 1.397 57.157 56.287 -0.877 0.000 0.928 413 K CB -0.151 31.402 32.500 -1.579 0.000 0.713 413 K HN 0.069 nan 8.250 nan 0.000 0.442 414 F N 0.396 120.041 119.950 -0.508 0.000 2.654 414 F HA 0.380 4.904 4.527 -0.006 0.000 0.303 414 F C 0.154 175.730 175.800 -0.374 0.000 1.099 414 F CA -0.506 57.237 58.000 -0.428 0.000 1.270 414 F CB 0.064 38.741 39.000 -0.538 0.000 1.024 414 F HN -0.275 nan 8.300 nan 0.000 0.548 415 S N 0.165 115.696 115.700 -0.281 0.000 2.558 415 S HA -0.039 4.427 4.470 -0.007 0.000 0.293 415 S C 0.115 174.463 174.600 -0.421 0.000 1.292 415 S CA 0.284 58.184 58.200 -0.500 0.000 1.063 415 S CB -0.357 62.447 63.200 -0.661 0.000 0.831 415 S HN 0.519 nan 8.310 nan 0.000 0.499 416 Y N -0.843 119.411 120.300 -0.076 0.000 4.753 416 Y HA -0.267 4.279 4.550 -0.007 0.000 0.232 416 Y C 0.537 176.412 175.900 -0.042 0.000 1.029 416 Y CA 0.625 58.684 58.100 -0.069 0.000 1.996 416 Y CB -1.806 36.596 38.460 -0.097 0.000 1.602 416 Y HN 0.423 nan 8.280 nan 0.000 0.621 417 K N 0.235 120.651 120.400 0.026 0.000 2.306 417 K HA 0.806 5.122 4.320 -0.007 0.000 0.236 417 K C -0.158 176.424 176.600 -0.030 0.000 1.013 417 K CA -0.874 55.430 56.287 0.029 0.000 0.857 417 K CB 2.022 34.571 32.500 0.082 0.000 1.214 417 K HN -0.075 nan 8.250 nan 0.000 0.449 418 S N 1.033 116.705 115.700 -0.048 0.000 2.473 418 S HA 0.651 5.117 4.470 -0.007 0.000 0.307 418 S C 0.057 174.565 174.600 -0.153 0.000 1.094 418 S CA -0.867 57.274 58.200 -0.100 0.000 1.070 418 S CB 0.575 63.726 63.200 -0.082 0.000 1.019 418 S HN 0.573 nan 8.310 nan 0.000 0.480 419 I N -0.370 120.059 120.570 -0.235 0.000 3.042 419 I HA 0.806 4.972 4.170 -0.007 0.000 0.310 419 I C -0.027 175.891 176.117 -0.333 0.000 1.117 419 I CA -0.954 60.155 61.300 -0.318 0.000 1.003 419 I CB 2.153 39.804 38.000 -0.582 0.000 1.228 419 I HN 0.572 nan 8.210 nan 0.000 0.443 420 T N -1.351 112.984 114.554 -0.364 0.000 2.923 420 T HA 0.320 4.666 4.350 -0.007 0.000 0.281 420 T C 0.896 175.421 174.700 -0.290 0.000 0.995 420 T CA -0.124 61.606 62.100 -0.616 0.000 0.985 420 T CB 1.393 69.947 68.868 -0.523 0.000 1.114 420 T HN 0.690 nan 8.240 nan 0.000 0.548 421 T N 0.931 115.400 114.554 -0.143 0.000 2.737 421 T HA -0.120 4.225 4.350 -0.007 0.000 0.269 421 T C 1.404 176.341 174.700 0.395 0.000 1.040 421 T CA 1.673 63.989 62.100 0.361 0.000 1.142 421 T CB -0.532 68.738 68.868 0.671 0.000 0.861 421 T HN 0.641 nan 8.240 nan 0.000 0.456 422 D N 0.986 121.516 120.400 0.217 0.000 2.123 422 D HA -0.075 4.560 4.640 -0.007 0.000 0.200 422 D C 1.956 178.339 176.300 0.138 0.000 0.976 422 D CA 0.831 54.930 54.000 0.166 0.000 0.831 422 D CB -0.346 40.517 40.800 0.105 0.000 0.974 422 D HN 0.324 nan 8.370 nan 0.000 0.469 423 D N 0.267 120.711 120.400 0.072 0.000 2.126 423 D HA -0.191 4.444 4.640 -0.007 0.000 0.190 423 D C 1.844 178.248 176.300 0.172 0.000 1.001 423 D CA 0.814 54.840 54.000 0.043 0.000 0.841 423 D CB -0.615 40.055 40.800 -0.216 0.000 0.949 423 D HN 0.357 nan 8.370 nan 0.000 0.446 424 W N 2.136 123.437 121.300 0.000 0.000 2.335 424 W HA -0.179 4.476 4.660 -0.007 0.000 0.311 424 W C 2.376 179.108 176.519 0.354 0.000 1.213 424 W CA 1.845 59.323 57.345 0.221 0.000 1.274 424 W CB -0.166 29.375 29.460 0.134 0.000 1.148 424 W HN -0.138 nan 8.180 nan 0.000 0.498 425 K N 0.075 120.595 120.400 0.200 0.000 2.057 425 K HA -0.196 4.119 4.320 -0.007 0.000 0.206 425 K C 1.656 178.187 176.600 -0.115 0.000 1.050 425 K CA 1.928 58.082 56.287 -0.221 0.000 0.935 425 K CB -0.472 31.970 32.500 -0.097 0.000 0.715 425 K HN 0.022 nan 8.250 nan 0.000 0.439 426 D N 0.406 120.808 120.400 0.003 0.000 2.106 426 D HA -0.208 4.427 4.640 -0.007 0.000 0.191 426 D C 1.608 178.025 176.300 0.195 0.000 0.997 426 D CA 1.113 55.150 54.000 0.062 0.000 0.834 426 D CB -0.404 40.465 40.800 0.115 0.000 0.956 426 D HN 0.187 nan 8.370 nan 0.000 0.448 427 F N 0.945 121.002 119.950 0.177 0.000 2.134 427 F HA -0.131 4.391 4.527 -0.008 0.000 0.299 427 F C 2.137 178.090 175.800 0.255 0.000 1.097 427 F CA 0.698 58.856 58.000 0.263 0.000 1.264 427 F CB -0.417 38.873 39.000 0.483 0.000 1.001 427 F HN -0.079 nan 8.300 nan 0.000 0.479 428 L N -0.666 120.550 121.223 -0.012 0.000 2.079 428 L HA -0.255 4.080 4.340 -0.007 0.000 0.210 428 L C 2.050 178.858 176.870 -0.103 0.000 1.081 428 L CA 1.855 56.533 54.840 -0.270 0.000 0.752 428 L CB -1.030 40.631 42.059 -0.665 0.000 0.896 428 L HN 0.167 nan 8.230 nan 0.000 0.433 429 Y N -1.063 119.132 120.300 -0.176 0.000 2.200 429 Y HA -0.202 4.344 4.550 -0.007 0.000 0.290 429 Y C 3.027 178.871 175.900 -0.093 0.000 1.137 429 Y CA 1.598 59.639 58.100 -0.097 0.000 1.163 429 Y CB -0.861 37.538 38.460 -0.101 0.000 0.988 429 Y HN 0.372 nan 8.280 nan 0.000 0.518 430 S N -0.758 114.949 115.700 0.012 0.000 2.343 430 S HA -0.304 4.162 4.470 -0.007 0.000 0.219 430 S C 2.078 176.539 174.600 -0.230 0.000 1.033 430 S CA 1.434 59.584 58.200 -0.083 0.000 1.014 430 S CB -0.961 62.215 63.200 -0.040 0.000 0.915 430 S HN 0.501 nan 8.310 nan 0.000 0.435 431 Y N 0.785 120.752 120.300 -0.555 0.000 2.151 431 Y HA -0.068 4.478 4.550 -0.007 0.000 0.284 431 Y C 0.835 176.376 175.900 -0.599 0.000 1.166 431 Y CA 1.843 59.553 58.100 -0.651 0.000 1.163 431 Y CB -0.280 37.699 38.460 -0.803 0.000 0.974 431 Y HN 0.366 nan 8.280 nan 0.000 0.511 432 F N 0.436 120.264 119.950 -0.203 0.000 2.983 432 F HA 0.267 4.789 4.527 -0.007 0.000 0.307 432 F C 1.429 177.092 175.800 -0.228 0.000 1.218 432 F CA -0.531 57.334 58.000 -0.225 0.000 1.323 432 F CB -0.168 38.701 39.000 -0.218 0.000 0.989 432 F HN -0.168 nan 8.300 nan 0.000 0.509 433 K N 0.242 120.582 120.400 -0.101 0.000 2.089 433 K HA -0.197 4.119 4.320 -0.007 0.000 0.210 433 K C 1.050 177.619 176.600 -0.052 0.000 1.048 433 K CA 1.728 57.972 56.287 -0.071 0.000 0.926 433 K CB 0.020 32.467 32.500 -0.089 0.000 0.714 433 K HN 0.182 nan 8.250 nan 0.000 0.448 434 D N -0.039 120.329 120.400 -0.054 0.000 2.352 434 D HA -0.031 4.605 4.640 -0.007 0.000 0.232 434 D C 0.224 176.507 176.300 -0.029 0.000 1.055 434 D CA 0.860 54.837 54.000 -0.039 0.000 0.891 434 D CB 0.320 41.094 40.800 -0.044 0.000 0.897 434 D HN 0.149 nan 8.370 nan 0.000 0.529 435 K N -0.139 120.240 120.400 -0.034 0.000 2.734 435 K HA 0.111 4.426 4.320 -0.007 0.000 0.200 435 K C 0.945 177.464 176.600 -0.136 0.000 1.120 435 K CA -0.040 56.203 56.287 -0.074 0.000 1.067 435 K CB 1.553 34.008 32.500 -0.075 0.000 0.771 435 K HN -0.161 nan 8.250 nan 0.000 0.481 436 V N 2.031 121.876 119.914 -0.115 0.000 2.759 436 V HA -0.200 3.916 4.120 -0.007 0.000 0.256 436 V C 1.669 177.724 176.094 -0.066 0.000 1.080 436 V CA 2.352 64.563 62.300 -0.148 0.000 1.101 436 V CB -0.091 31.706 31.823 -0.043 0.000 0.698 436 V HN 0.440 nan 8.190 nan 0.000 0.477 437 D N -0.484 119.890 120.400 -0.043 0.000 2.123 437 D HA -0.128 4.508 4.640 -0.007 0.000 0.200 437 D C 1.993 178.272 176.300 -0.035 0.000 0.976 437 D CA 1.633 55.625 54.000 -0.014 0.000 0.831 437 D CB -0.732 40.060 40.800 -0.013 0.000 0.974 437 D HN 0.374 nan 8.370 nan 0.000 0.469 438 V N 1.140 121.002 119.914 -0.088 0.000 2.343 438 V HA -0.195 3.921 4.120 -0.007 0.000 0.247 438 V C 2.860 178.864 176.094 -0.150 0.000 1.051 438 V CA 1.156 63.377 62.300 -0.132 0.000 1.036 438 V CB -0.629 31.082 31.823 -0.187 0.000 0.654 438 V HN 0.189 nan 8.190 nan 0.000 0.451 439 L N 0.091 121.210 121.223 -0.174 0.000 2.131 439 L HA -0.188 4.148 4.340 -0.007 0.000 0.210 439 L C 2.092 179.075 176.870 0.189 0.000 1.092 439 L CA 1.832 56.602 54.840 -0.116 0.000 0.759 439 L CB -0.689 41.059 42.059 -0.519 0.000 0.903 439 L HN 0.462 nan 8.230 nan 0.000 0.435 440 N N -0.809 117.987 118.700 0.159 0.000 2.494 440 N HA -0.126 4.610 4.740 -0.007 0.000 0.182 440 N C 1.562 177.171 175.510 0.165 0.000 1.076 440 N CA 0.165 53.376 53.050 0.268 0.000 0.908 440 N CB 0.126 38.740 38.487 0.213 0.000 0.967 440 N HN 0.423 nan 8.380 nan 0.000 0.449 441 Q N 0.462 120.301 119.800 0.065 0.000 2.369 441 Q HA 0.013 4.348 4.340 -0.007 0.000 0.206 441 Q C 0.656 176.660 176.000 0.007 0.000 0.963 441 Q CA 0.305 56.126 55.803 0.030 0.000 0.894 441 Q CB 0.295 29.028 28.738 -0.008 0.000 0.965 441 Q HN 0.206 nan 8.270 nan 0.000 0.475 442 V N 1.313 121.171 119.914 -0.093 0.000 2.637 442 V HA 0.017 4.133 4.120 -0.007 0.000 0.296 442 V C -0.160 175.750 176.094 -0.305 0.000 1.046 442 V CA -0.330 61.793 62.300 -0.295 0.000 1.066 442 V CB 1.252 32.646 31.823 -0.716 0.000 0.968 442 V HN 0.070 nan 8.190 nan 0.000 0.483 443 D N 5.862 126.223 120.400 -0.064 0.000 2.551 443 D HA 0.115 4.751 4.640 -0.007 0.000 0.223 443 D C 0.702 177.078 176.300 0.126 0.000 1.144 443 D CA 0.062 54.093 54.000 0.051 0.000 1.025 443 D CB -0.226 40.602 40.800 0.046 0.000 1.085 443 D HN 0.777 nan 8.370 nan 0.000 0.506 444 W N 1.777 123.251 121.300 0.290 0.000 2.338 444 W HA -0.202 4.453 4.660 -0.009 0.000 0.304 444 W C 2.246 178.914 176.519 0.249 0.000 1.212 444 W CA 0.672 58.181 57.345 0.274 0.000 1.264 444 W CB -0.321 29.289 29.460 0.250 0.000 1.142 444 W HN 0.342 nan 8.180 nan 0.000 0.512 445 N N 0.100 119.077 118.700 0.462 0.000 2.188 445 N HA -0.141 4.595 4.740 -0.007 0.000 0.184 445 N C 1.673 177.352 175.510 0.282 0.000 1.018 445 N CA 1.921 55.226 53.050 0.425 0.000 0.858 445 N CB -0.391 38.278 38.487 0.303 0.000 0.989 445 N HN 0.058 nan 8.380 nan 0.000 0.426 446 A N -0.744 122.173 122.820 0.160 0.000 1.874 446 A HA 0.000 4.316 4.320 -0.007 0.000 0.214 446 A C 1.952 179.504 177.584 -0.053 0.000 1.189 446 A CA 0.760 52.801 52.037 0.007 0.000 0.615 446 A CB -1.160 17.775 19.000 -0.109 0.000 0.830 446 A HN 0.510 nan 8.150 nan 0.000 0.443 447 W N 0.256 121.503 121.300 -0.088 0.000 2.335 447 W HA -0.112 4.544 4.660 -0.007 0.000 0.311 447 W C 2.060 178.428 176.519 -0.250 0.000 1.213 447 W CA 1.469 58.716 57.345 -0.164 0.000 1.274 447 W CB -0.244 29.108 29.460 -0.179 0.000 1.148 447 W HN 0.213 nan 8.180 nan 0.000 0.498 448 L N -2.349 118.841 121.223 -0.054 0.000 2.249 448 L HA -0.074 4.262 4.340 -0.007 0.000 0.207 448 L C 1.174 177.685 176.870 -0.598 0.000 1.090 448 L CA 0.878 55.402 54.840 -0.527 0.000 0.802 448 L CB -0.433 41.103 42.059 -0.872 0.000 0.947 448 L HN 0.039 nan 8.230 nan 0.000 0.453 449 Y N -1.794 118.556 120.300 0.083 0.000 2.471 449 Y HA 0.270 4.816 4.550 -0.007 0.000 0.249 449 Y C 1.044 176.960 175.900 0.025 0.000 1.116 449 Y CA -0.670 57.467 58.100 0.061 0.000 1.240 449 Y CB 0.316 38.829 38.460 0.088 0.000 1.251 449 Y HN -0.141 nan 8.280 nan 0.000 0.527 450 S N 3.447 119.205 115.700 0.097 0.000 2.585 450 S HA 0.382 4.848 4.470 -0.007 0.000 0.277 450 S C -2.432 172.160 174.600 -0.013 0.000 1.241 450 S CA -1.244 56.975 58.200 0.033 0.000 1.041 450 S CB 1.187 64.380 63.200 -0.011 0.000 0.987 450 S HN -0.048 nan 8.310 nan 0.000 0.512 451 P HA 0.487 nan 4.420 nan 0.000 0.277 451 P C 0.415 177.683 177.300 -0.053 0.000 1.271 451 P CA 0.123 63.211 63.100 -0.021 0.000 0.795 451 P CB 0.178 31.872 31.700 -0.010 0.000 1.101 452 G N -0.776 107.996 108.800 -0.046 0.000 2.728 452 G HA2 -0.174 3.782 3.960 -0.007 0.000 0.294 452 G HA3 -0.174 3.782 3.960 -0.007 0.000 0.294 452 G C -0.743 174.072 174.900 -0.141 0.000 1.342 452 G CA -0.664 44.392 45.100 -0.074 0.000 0.866 452 G HN 0.569 nan 8.290 nan 0.000 0.534 453 L N 1.636 122.757 121.223 -0.171 0.000 2.483 453 L HA 0.264 4.600 4.340 -0.007 0.000 0.276 453 L C -1.212 175.481 176.870 -0.295 0.000 1.213 453 L CA -1.178 53.505 54.840 -0.261 0.000 0.843 453 L CB 0.211 42.147 42.059 -0.206 0.000 1.107 453 L HN 0.452 nan 8.230 nan 0.000 0.487 454 P HA 0.039 nan 4.420 nan 0.000 0.270 454 P C -2.001 174.931 177.300 -0.613 0.000 1.227 454 P CA -0.927 61.708 63.100 -0.775 0.000 0.788 454 P CB -0.098 30.905 31.700 -1.162 0.000 0.926 455 P HA 0.061 nan 4.420 nan 0.000 0.229 455 P C 0.190 177.291 177.300 -0.332 0.000 1.160 455 P CA 1.513 64.337 63.100 -0.460 0.000 0.777 455 P CB 0.588 32.022 31.700 -0.443 0.000 0.814 456 I N -0.241 120.082 120.570 -0.411 0.000 2.619 456 I HA 0.279 4.444 4.170 -0.007 0.000 0.292 456 I C -0.122 175.913 176.117 -0.137 0.000 1.100 456 I CA -1.002 60.149 61.300 -0.249 0.000 1.043 456 I CB 3.327 41.106 38.000 -0.367 0.000 1.239 456 I HN -0.218 nan 8.210 nan 0.000 0.420 457 K N 7.163 127.465 120.400 -0.163 0.000 2.213 457 K HA 0.527 4.842 4.320 -0.007 0.000 0.270 457 K C -2.458 173.994 176.600 -0.246 0.000 1.002 457 K CA -1.358 54.709 56.287 -0.366 0.000 0.868 457 K CB 1.568 33.680 32.500 -0.647 0.000 1.093 457 K HN 0.203 nan 8.250 nan 0.000 0.454 458 P HA -0.003 nan 4.420 nan 0.000 0.272 458 P C -1.070 175.930 177.300 -0.499 0.000 1.248 458 P CA -0.257 62.632 63.100 -0.352 0.000 0.799 458 P CB 0.421 31.875 31.700 -0.411 0.000 0.997 459 N N 0.667 119.064 118.700 -0.505 0.000 2.434 459 N HA 0.215 4.950 4.740 -0.007 0.000 0.272 459 N C -0.908 174.424 175.510 -0.297 0.000 1.040 459 N CA 0.024 52.898 53.050 -0.294 0.000 0.956 459 N CB 0.314 38.697 38.487 -0.172 0.000 1.108 459 N HN 0.367 nan 8.380 nan 0.000 0.481 460 Y N -0.321 120.084 120.300 0.175 0.000 2.376 460 Y HA 0.149 4.695 4.550 -0.008 0.000 0.340 460 Y C 0.357 176.441 175.900 0.307 0.000 0.965 460 Y CA -1.162 57.153 58.100 0.358 0.000 1.078 460 Y CB 1.329 39.915 38.460 0.210 0.000 1.193 460 Y HN 0.441 nan 8.280 nan 0.000 0.452 461 D N 3.055 123.774 120.400 0.531 0.000 2.458 461 D HA 0.036 4.672 4.640 -0.007 0.000 0.243 461 D C 0.510 176.968 176.300 0.262 0.000 1.146 461 D CA 0.324 54.450 54.000 0.211 0.000 0.877 461 D CB 0.791 41.560 40.800 -0.052 0.000 1.176 461 D HN 0.444 nan 8.370 nan 0.000 0.461 462 M N 2.654 122.363 119.600 0.182 0.000 2.383 462 M HA 0.016 4.492 4.480 -0.007 0.000 0.247 462 M C 1.578 177.975 176.300 0.162 0.000 1.117 462 M CA 0.098 55.501 55.300 0.172 0.000 0.995 462 M CB -0.363 32.316 32.600 0.130 0.000 1.480 462 M HN 0.406 nan 8.290 nan 0.000 0.485 463 T N 1.992 116.630 114.554 0.141 0.000 2.624 463 T HA -0.139 4.207 4.350 -0.007 0.000 0.268 463 T C 1.892 176.664 174.700 0.120 0.000 1.041 463 T CA 1.500 63.665 62.100 0.108 0.000 1.159 463 T CB -0.182 68.734 68.868 0.080 0.000 0.863 463 T HN 0.374 nan 8.240 nan 0.000 0.434 464 L N 0.344 121.663 121.223 0.160 0.000 2.418 464 L HA 0.038 4.374 4.340 -0.007 0.000 0.218 464 L C 2.617 179.635 176.870 0.247 0.000 1.125 464 L CA 0.735 55.641 54.840 0.110 0.000 0.835 464 L CB -0.358 41.669 42.059 -0.054 0.000 0.953 464 L HN 0.275 nan 8.230 nan 0.000 0.454 465 T N -1.127 113.636 114.554 0.348 0.000 2.978 465 T HA -0.062 4.284 4.350 -0.007 0.000 0.262 465 T C 1.559 176.389 174.700 0.217 0.000 1.063 465 T CA 0.947 63.252 62.100 0.341 0.000 1.140 465 T CB -0.204 68.802 68.868 0.229 0.000 0.886 465 T HN 0.376 nan 8.240 nan 0.000 0.470 466 N N 1.575 120.374 118.700 0.164 0.000 2.061 466 N HA -0.113 4.622 4.740 -0.007 0.000 0.193 466 N C 2.175 177.761 175.510 0.127 0.000 1.030 466 N CA 1.105 54.232 53.050 0.127 0.000 0.856 466 N CB -0.200 38.347 38.487 0.100 0.000 1.023 466 N HN 0.345 nan 8.380 nan 0.000 0.424 467 A N 0.500 123.391 122.820 0.119 0.000 1.972 467 A HA -0.150 4.165 4.320 -0.007 0.000 0.219 467 A C 2.372 180.040 177.584 0.139 0.000 1.169 467 A CA 1.068 53.168 52.037 0.104 0.000 0.635 467 A CB -0.811 18.230 19.000 0.068 0.000 0.810 467 A HN 0.495 nan 8.150 nan 0.000 0.446 468 C N -0.775 118.640 119.300 0.191 0.000 2.476 468 C HA 0.003 4.459 4.460 -0.007 0.000 0.278 468 C C 2.487 177.650 174.990 0.290 0.000 1.274 468 C CA 0.720 59.898 59.018 0.268 0.000 1.713 468 C CB -1.344 26.576 27.740 0.300 0.000 2.039 468 C HN 0.626 nan 8.230 nan 0.000 0.484 469 I N 1.780 122.478 120.570 0.213 0.000 2.286 469 I HA -0.227 3.938 4.170 -0.007 0.000 0.248 469 I C 2.792 179.026 176.117 0.196 0.000 1.115 469 I CA 1.617 63.027 61.300 0.184 0.000 1.392 469 I CB -0.538 37.542 38.000 0.134 0.000 1.065 469 I HN 0.308 nan 8.210 nan 0.000 0.418 470 A N 0.585 123.510 122.820 0.176 0.000 1.877 470 A HA -0.208 4.108 4.320 -0.007 0.000 0.216 470 A C 2.226 179.939 177.584 0.216 0.000 1.186 470 A CA 1.439 53.572 52.037 0.160 0.000 0.620 470 A CB -0.784 18.285 19.000 0.116 0.000 0.822 470 A HN 0.350 nan 8.150 nan 0.000 0.443 471 L N -0.142 121.229 121.223 0.248 0.000 2.056 471 L HA -0.078 4.257 4.340 -0.007 0.000 0.207 471 L C 2.660 179.894 176.870 0.607 0.000 1.078 471 L CA 2.466 57.499 54.840 0.322 0.000 0.749 471 L CB -0.774 41.334 42.059 0.082 0.000 0.901 471 L HN 0.385 nan 8.230 nan 0.000 0.433 472 S N -1.519 114.566 115.700 0.642 0.000 2.368 472 S HA -0.195 4.270 4.470 -0.007 0.000 0.225 472 S C 1.955 176.810 174.600 0.424 0.000 1.030 472 S CA 1.054 59.614 58.200 0.600 0.000 0.999 472 S CB -0.199 63.200 63.200 0.332 0.000 0.844 472 S HN 0.547 nan 8.310 nan 0.000 0.459 473 Q N 0.898 120.886 119.800 0.313 0.000 2.119 473 Q HA 0.023 4.359 4.340 -0.007 0.000 0.201 473 Q C 2.366 178.520 176.000 0.256 0.000 0.972 473 Q CA 1.066 57.010 55.803 0.235 0.000 0.847 473 Q CB -0.413 28.425 28.738 0.168 0.000 0.903 473 Q HN 0.592 nan 8.270 nan 0.000 0.433 474 R N -0.942 119.734 120.500 0.293 0.000 2.091 474 R HA -0.179 4.157 4.340 -0.007 0.000 0.238 474 R C 2.074 178.590 176.300 0.359 0.000 1.136 474 R CA 1.600 57.870 56.100 0.283 0.000 0.959 474 R CB -0.292 30.183 30.300 0.292 0.000 0.856 474 R HN 0.313 nan 8.270 nan 0.000 0.437 475 W N 0.594 122.090 121.300 0.326 0.000 2.407 475 W HA 0.001 4.657 4.660 -0.007 0.000 0.305 475 W C 2.020 178.687 176.519 0.246 0.000 1.196 475 W CA 0.544 57.990 57.345 0.169 0.000 1.311 475 W CB -0.231 29.282 29.460 0.088 0.000 1.135 475 W HN -0.028 nan 8.180 nan 0.000 0.514 476 I N 0.033 120.851 120.570 0.412 0.000 2.226 476 I HA -0.301 3.865 4.170 -0.007 0.000 0.245 476 I C 2.479 178.725 176.117 0.214 0.000 1.100 476 I CA 1.943 63.396 61.300 0.256 0.000 1.374 476 I CB -0.911 37.191 38.000 0.170 0.000 1.057 476 I HN 0.002 nan 8.210 nan 0.000 0.413 477 T N -1.172 113.506 114.554 0.206 0.000 3.113 477 T HA 0.309 4.654 4.350 -0.007 0.000 0.256 477 T C 0.841 175.645 174.700 0.173 0.000 1.131 477 T CA 0.077 62.270 62.100 0.154 0.000 1.074 477 T CB -0.346 68.590 68.868 0.113 0.000 0.944 477 T HN 0.218 nan 8.240 nan 0.000 0.516 478 A N 1.349 124.320 122.820 0.252 0.000 2.462 478 A HA 0.576 4.892 4.320 -0.007 0.000 0.243 478 A C 0.217 177.974 177.584 0.289 0.000 1.076 478 A CA -0.457 51.704 52.037 0.207 0.000 0.773 478 A CB 0.286 19.387 19.000 0.168 0.000 1.010 478 A HN 0.421 nan 8.150 nan 0.000 0.493 479 K N 0.077 120.561 120.400 0.139 0.000 2.267 479 K HA 0.329 4.644 4.320 -0.007 0.000 0.236 479 K C 1.207 177.847 176.600 0.066 0.000 1.030 479 K CA -0.198 56.179 56.287 0.150 0.000 0.930 479 K CB 0.565 33.113 32.500 0.081 0.000 1.182 479 K HN 0.789 nan 8.250 nan 0.000 0.474 480 E N 0.932 121.182 120.200 0.084 0.000 2.130 480 E HA -0.258 4.088 4.350 -0.007 0.000 0.196 480 E C 0.631 177.214 176.600 -0.029 0.000 0.998 480 E CA 1.932 58.348 56.400 0.026 0.000 0.806 480 E CB 0.031 29.757 29.700 0.043 0.000 0.738 480 E HN 0.641 nan 8.360 nan 0.000 0.459 481 D N -0.128 120.256 120.400 -0.027 0.000 2.378 481 D HA -0.143 4.492 4.640 -0.007 0.000 0.227 481 D C 0.665 176.908 176.300 -0.094 0.000 1.012 481 D CA 0.571 54.541 54.000 -0.051 0.000 0.905 481 D CB -0.093 40.684 40.800 -0.038 0.000 0.895 481 D HN 0.219 nan 8.370 nan 0.000 0.532 482 D N -0.107 120.222 120.400 -0.118 0.000 2.389 482 D HA 0.104 4.740 4.640 -0.007 0.000 0.206 482 D C 2.122 178.248 176.300 -0.289 0.000 1.055 482 D CA -0.087 53.785 54.000 -0.213 0.000 0.856 482 D CB 0.570 41.258 40.800 -0.187 0.000 0.957 482 D HN 0.271 nan 8.370 nan 0.000 0.509 483 L N 0.858 121.986 121.223 -0.158 0.000 2.201 483 L HA -0.122 4.214 4.340 -0.007 0.000 0.212 483 L C 2.137 178.966 176.870 -0.068 0.000 1.105 483 L CA 0.705 55.509 54.840 -0.059 0.000 0.775 483 L CB -0.369 41.641 42.059 -0.081 0.000 0.913 483 L HN -0.032 nan 8.230 nan 0.000 0.440 484 N N 0.065 118.690 118.700 -0.124 0.000 2.289 484 N HA -0.189 4.547 4.740 -0.007 0.000 0.184 484 N C 1.934 177.342 175.510 -0.170 0.000 1.016 484 N CA 1.355 54.337 53.050 -0.114 0.000 0.872 484 N CB 0.073 38.499 38.487 -0.103 0.000 0.973 484 N HN 0.313 nan 8.380 nan 0.000 0.433 485 S N -1.390 114.119 115.700 -0.318 0.000 2.496 485 S HA 0.071 4.536 4.470 -0.007 0.000 0.224 485 S C 0.338 174.656 174.600 -0.470 0.000 0.996 485 S CA -0.240 57.723 58.200 -0.396 0.000 0.927 485 S CB -0.523 62.376 63.200 -0.502 0.000 0.774 485 S HN 0.112 nan 8.310 nan 0.000 0.524 486 F N 3.130 122.918 119.950 -0.269 0.000 2.471 486 F HA 0.487 5.010 4.527 -0.007 0.000 0.353 486 F C 0.928 176.663 175.800 -0.108 0.000 1.113 486 F CA -0.513 57.345 58.000 -0.237 0.000 1.262 486 F CB 0.315 39.037 39.000 -0.462 0.000 1.146 486 F HN 0.228 nan 8.300 nan 0.000 0.578 487 N N 0.632 119.457 118.700 0.209 0.000 2.598 487 N HA 0.316 5.052 4.740 -0.007 0.000 0.263 487 N C 0.277 175.948 175.510 0.268 0.000 1.254 487 N CA -0.026 53.108 53.050 0.139 0.000 0.863 487 N CB 1.956 40.478 38.487 0.058 0.000 1.586 487 N HN 0.585 nan 8.380 nan 0.000 0.491 488 A N 1.255 124.184 122.820 0.183 0.000 2.009 488 A HA -0.234 4.082 4.320 -0.007 0.000 0.222 488 A C 1.911 179.555 177.584 0.099 0.000 1.175 488 A CA 2.950 55.092 52.037 0.174 0.000 0.651 488 A CB -1.298 17.749 19.000 0.078 0.000 0.815 488 A HN 0.869 nan 8.150 nan 0.000 0.459 489 T N -2.695 111.904 114.554 0.075 0.000 3.007 489 T HA -0.118 4.228 4.350 -0.007 0.000 0.270 489 T C 1.131 175.846 174.700 0.025 0.000 1.107 489 T CA 1.374 63.493 62.100 0.033 0.000 1.118 489 T CB -0.479 68.401 68.868 0.018 0.000 0.889 489 T HN 0.417 nan 8.240 nan 0.000 0.506 490 D N 1.698 122.142 120.400 0.074 0.000 2.182 490 D HA -0.011 4.624 4.640 -0.007 0.000 0.201 490 D C 1.733 177.980 176.300 -0.088 0.000 0.986 490 D CA 0.861 54.889 54.000 0.047 0.000 0.847 490 D CB -0.181 40.746 40.800 0.211 0.000 0.942 490 D HN 0.461 nan 8.370 nan 0.000 0.467 491 L N -0.100 121.031 121.223 -0.153 0.000 2.607 491 L HA 0.137 4.472 4.340 -0.007 0.000 0.228 491 L C 2.098 178.908 176.870 -0.100 0.000 1.123 491 L CA -0.085 54.633 54.840 -0.205 0.000 0.890 491 L CB 0.004 41.893 42.059 -0.284 0.000 1.103 491 L HN -0.109 nan 8.230 nan 0.000 0.468 492 K N 0.921 121.284 120.400 -0.061 0.000 2.077 492 K HA -0.211 4.104 4.320 -0.007 0.000 0.213 492 K C 0.685 177.264 176.600 -0.034 0.000 1.051 492 K CA 1.871 58.136 56.287 -0.036 0.000 0.929 492 K CB 0.126 32.613 32.500 -0.022 0.000 0.715 492 K HN 0.308 nan 8.250 nan 0.000 0.451 493 D N -0.042 120.337 120.400 -0.036 0.000 2.463 493 D HA 0.105 4.741 4.640 -0.007 0.000 0.224 493 D C -0.439 175.841 176.300 -0.033 0.000 1.174 493 D CA 0.122 54.104 54.000 -0.029 0.000 0.829 493 D CB 0.388 41.175 40.800 -0.021 0.000 0.993 493 D HN 0.145 nan 8.370 nan 0.000 0.497 494 L N 1.298 122.497 121.223 -0.040 0.000 2.307 494 L HA 0.234 4.569 4.340 -0.007 0.000 0.284 494 L C 1.050 177.906 176.870 -0.024 0.000 1.023 494 L CA -0.632 54.189 54.840 -0.031 0.000 0.810 494 L CB 1.771 43.808 42.059 -0.037 0.000 1.231 494 L HN -0.087 nan 8.230 nan 0.000 0.423 495 S N 0.446 116.135 115.700 -0.018 0.000 2.617 495 S HA 0.070 4.535 4.470 -0.007 0.000 0.259 495 S C 1.303 175.918 174.600 0.024 0.000 1.301 495 S CA -0.126 58.077 58.200 0.005 0.000 0.984 495 S CB 1.238 64.451 63.200 0.022 0.000 0.954 495 S HN 0.741 nan 8.310 nan 0.000 0.572 496 S N 0.286 115.978 115.700 -0.012 0.000 2.400 496 S HA -0.242 4.223 4.470 -0.007 0.000 0.232 496 S C 1.480 176.047 174.600 -0.055 0.000 1.025 496 S CA 1.667 59.821 58.200 -0.077 0.000 0.993 496 S CB -1.236 61.865 63.200 -0.165 0.000 0.808 496 S HN 0.872 nan 8.310 nan 0.000 0.478 497 H N 1.682 120.802 119.070 0.084 0.000 2.353 497 H HA 0.044 4.595 4.556 -0.007 0.000 0.300 497 H C 2.538 178.058 175.328 0.321 0.000 1.090 497 H CA 1.875 58.057 56.048 0.225 0.000 1.327 497 H CB -0.297 29.646 29.762 0.302 0.000 1.383 497 H HN 0.517 nan 8.280 nan 0.000 0.508 498 Q N -0.360 119.611 119.800 0.285 0.000 2.172 498 Q HA -0.086 4.250 4.340 -0.007 0.000 0.200 498 Q C 1.891 178.035 176.000 0.240 0.000 0.964 498 Q CA 0.685 56.651 55.803 0.271 0.000 0.855 498 Q CB 0.032 28.822 28.738 0.086 0.000 0.918 498 Q HN 0.285 nan 8.270 nan 0.000 0.444 499 L N 1.100 122.411 121.223 0.147 0.000 2.056 499 L HA -0.164 4.172 4.340 -0.007 0.000 0.207 499 L C 1.992 178.927 176.870 0.108 0.000 1.078 499 L CA 1.560 56.475 54.840 0.125 0.000 0.749 499 L CB -0.580 41.497 42.059 0.030 0.000 0.901 499 L HN 0.196 nan 8.230 nan 0.000 0.433 500 N N -0.499 118.247 118.700 0.076 0.000 2.104 500 N HA -0.254 4.481 4.740 -0.007 0.000 0.190 500 N C 1.862 177.412 175.510 0.066 0.000 1.024 500 N CA 1.451 54.526 53.050 0.043 0.000 0.853 500 N CB 0.020 38.544 38.487 0.063 0.000 1.008 500 N HN 0.314 nan 8.380 nan 0.000 0.424 501 E N -0.579 119.724 120.200 0.172 0.000 2.107 501 E HA -0.105 4.240 4.350 -0.007 0.000 0.191 501 E C 1.705 178.381 176.600 0.126 0.000 0.982 501 E CA 0.647 57.120 56.400 0.123 0.000 0.809 501 E CB -0.636 29.182 29.700 0.197 0.000 0.756 501 E HN 0.438 nan 8.360 nan 0.000 0.459 502 F N 0.856 120.842 119.950 0.061 0.000 2.091 502 F HA -0.185 4.338 4.527 -0.006 0.000 0.299 502 F C 1.703 177.501 175.800 -0.002 0.000 1.103 502 F CA 1.706 59.733 58.000 0.044 0.000 1.228 502 F CB -0.501 38.526 39.000 0.044 0.000 0.984 502 F HN 0.083 nan 8.300 nan 0.000 0.477 503 L N -0.060 120.917 121.223 -0.411 0.000 2.093 503 L HA -0.113 4.222 4.340 -0.007 0.000 0.208 503 L C 2.834 179.510 176.870 -0.323 0.000 1.085 503 L CA 1.013 55.537 54.840 -0.526 0.000 0.755 503 L CB -1.131 40.712 42.059 -0.359 0.000 0.904 503 L HN 0.295 nan 8.230 nan 0.000 0.435 504 A N -0.691 122.017 122.820 -0.186 0.000 1.902 504 A HA -0.228 4.087 4.320 -0.007 0.000 0.217 504 A C 2.269 179.774 177.584 -0.132 0.000 1.181 504 A CA 1.343 53.299 52.037 -0.135 0.000 0.623 504 A CB -0.391 18.558 19.000 -0.085 0.000 0.818 504 A HN 0.376 nan 8.150 nan 0.000 0.443 505 Q N -0.514 119.216 119.800 -0.116 0.000 2.061 505 Q HA -0.145 4.191 4.340 -0.007 0.000 0.204 505 Q C 2.282 178.214 176.000 -0.114 0.000 0.984 505 Q CA 2.233 57.990 55.803 -0.076 0.000 0.846 505 Q CB -0.951 27.785 28.738 -0.003 0.000 0.902 505 Q HN 0.709 nan 8.270 nan 0.000 0.421 506 T N 2.014 116.429 114.554 -0.231 0.000 2.737 506 T HA -0.124 4.221 4.350 -0.007 0.000 0.265 506 T C 1.941 176.533 174.700 -0.180 0.000 1.038 506 T CA 0.936 62.901 62.100 -0.226 0.000 1.144 506 T CB -0.413 68.194 68.868 -0.434 0.000 0.866 506 T HN 0.112 nan 8.240 nan 0.000 0.434 507 L N 1.392 122.488 121.223 -0.212 0.000 2.081 507 L HA -0.162 4.174 4.340 -0.007 0.000 0.212 507 L C 2.405 179.190 176.870 -0.141 0.000 1.080 507 L CA 1.745 56.473 54.840 -0.186 0.000 0.754 507 L CB -0.701 41.231 42.059 -0.213 0.000 0.893 507 L HN 0.273 nan 8.230 nan 0.000 0.433 508 Q N -0.992 118.739 119.800 -0.116 0.000 2.291 508 Q HA -0.177 4.158 4.340 -0.007 0.000 0.206 508 Q C 1.309 177.267 176.000 -0.069 0.000 0.976 508 Q CA 1.236 56.988 55.803 -0.084 0.000 0.875 508 Q CB 0.066 28.768 28.738 -0.061 0.000 0.927 508 Q HN 0.391 nan 8.270 nan 0.000 0.450 509 R N -0.743 119.715 120.500 -0.069 0.000 2.468 509 R HA 0.276 4.612 4.340 -0.007 0.000 0.280 509 R C -0.375 175.882 176.300 -0.071 0.000 0.963 509 R CA -0.005 56.064 56.100 -0.052 0.000 1.083 509 R CB 0.638 30.924 30.300 -0.023 0.000 1.200 509 R HN 0.044 nan 8.270 nan 0.000 0.541 510 A N 2.241 125.002 122.820 -0.098 0.000 2.407 510 A HA 0.414 4.729 4.320 -0.007 0.000 0.248 510 A C -1.894 175.625 177.584 -0.108 0.000 1.082 510 A CA -1.036 50.931 52.037 -0.117 0.000 0.785 510 A CB -0.234 18.676 19.000 -0.150 0.000 1.020 510 A HN 0.029 nan 8.150 nan 0.000 0.489 511 P HA 0.401 nan 4.420 nan 0.000 0.274 511 P C -0.899 176.326 177.300 -0.125 0.000 1.231 511 P CA -0.266 62.753 63.100 -0.136 0.000 0.790 511 P CB 0.614 32.230 31.700 -0.140 0.000 0.951 512 L N 3.700 124.842 121.223 -0.136 0.000 2.365 512 L HA 0.532 4.868 4.340 -0.007 0.000 0.267 512 L C -2.073 174.685 176.870 -0.186 0.000 1.033 512 L CA -2.182 52.571 54.840 -0.146 0.000 0.802 512 L CB -0.053 41.952 42.059 -0.090 0.000 1.267 512 L HN 0.283 nan 8.230 nan 0.000 0.457 513 P HA 0.008 nan 4.420 nan 0.000 0.269 513 P C 0.561 177.777 177.300 -0.139 0.000 1.209 513 P CA -0.269 62.696 63.100 -0.225 0.000 0.776 513 P CB 0.486 31.992 31.700 -0.324 0.000 0.876 514 L N 3.869 125.013 121.223 -0.132 0.000 2.042 514 L HA -0.090 4.246 4.340 -0.007 0.000 0.210 514 L C 2.175 178.916 176.870 -0.214 0.000 1.076 514 L CA 2.578 57.300 54.840 -0.196 0.000 0.749 514 L CB -1.620 40.342 42.059 -0.162 0.000 0.893 514 L HN 0.529 nan 8.230 nan 0.000 0.432 515 G N -2.090 106.667 108.800 -0.072 0.000 2.422 515 G HA2 -0.308 3.647 3.960 -0.007 0.000 0.218 515 G HA3 -0.308 3.647 3.960 -0.007 0.000 0.218 515 G C 1.317 176.270 174.900 0.088 0.000 1.146 515 G CA 1.020 46.115 45.100 -0.009 0.000 0.769 515 G HN 0.544 nan 8.290 nan 0.000 0.547 516 H N 0.398 119.466 119.070 -0.003 0.000 2.321 516 H HA -0.015 4.537 4.556 -0.007 0.000 0.300 516 H C 2.631 177.954 175.328 -0.009 0.000 1.087 516 H CA 1.015 57.147 56.048 0.140 0.000 1.319 516 H CB -0.152 29.726 29.762 0.194 0.000 1.379 516 H HN 0.217 nan 8.280 nan 0.000 0.501 517 I N 0.888 121.447 120.570 -0.019 0.000 2.252 517 I HA -0.195 3.971 4.170 -0.007 0.000 0.245 517 I C 2.019 177.965 176.117 -0.284 0.000 1.102 517 I CA 1.212 62.437 61.300 -0.126 0.000 1.385 517 I CB -0.891 36.982 38.000 -0.211 0.000 1.064 517 I HN 0.212 nan 8.210 nan 0.000 0.414 518 K N 0.253 120.294 120.400 -0.597 0.000 2.063 518 K HA -0.225 4.091 4.320 -0.007 0.000 0.208 518 K C 2.235 178.716 176.600 -0.198 0.000 1.048 518 K CA 1.386 57.271 56.287 -0.670 0.000 0.928 518 K CB -0.154 32.006 32.500 -0.567 0.000 0.713 518 K HN 0.038 nan 8.250 nan 0.000 0.442 519 R N 1.291 121.737 120.500 -0.091 0.000 2.081 519 R HA -0.023 4.313 4.340 -0.007 0.000 0.235 519 R C 2.070 178.338 176.300 -0.053 0.000 1.131 519 R CA 1.453 57.559 56.100 0.011 0.000 0.960 519 R CB -0.363 30.022 30.300 0.143 0.000 0.856 519 R HN 0.165 nan 8.270 nan 0.000 0.436 520 M N -0.019 119.464 119.600 -0.194 0.000 2.108 520 M HA -0.222 4.253 4.480 -0.007 0.000 0.261 520 M C 2.049 178.085 176.300 -0.439 0.000 1.066 520 M CA 2.129 57.092 55.300 -0.562 0.000 1.107 520 M CB -0.099 32.134 32.600 -0.612 0.000 1.356 520 M HN 0.234 nan 8.290 nan 0.000 0.406 521 Q N 0.583 120.349 119.800 -0.057 0.000 2.119 521 Q HA -0.208 4.128 4.340 -0.007 0.000 0.201 521 Q C 1.651 177.633 176.000 -0.029 0.000 0.972 521 Q CA 2.161 57.998 55.803 0.057 0.000 0.847 521 Q CB -0.312 28.797 28.738 0.619 0.000 0.903 521 Q HN 0.640 nan 8.270 nan 0.000 0.433 522 E N -0.821 119.364 120.200 -0.025 0.000 2.058 522 E HA -0.169 4.177 4.350 -0.007 0.000 0.194 522 E C 1.710 178.254 176.600 -0.094 0.000 0.997 522 E CA 2.030 58.413 56.400 -0.027 0.000 0.801 522 E CB 0.056 29.749 29.700 -0.012 0.000 0.746 522 E HN 0.401 nan 8.360 nan 0.000 0.450 523 V N -2.004 117.785 119.914 -0.208 0.000 2.992 523 V HA -0.003 4.113 4.120 -0.007 0.000 0.250 523 V C 1.352 177.330 176.094 -0.195 0.000 1.090 523 V CA 0.707 62.872 62.300 -0.225 0.000 1.101 523 V CB -0.394 31.281 31.823 -0.248 0.000 0.743 523 V HN 0.201 nan 8.190 nan 0.000 0.468 524 Y N 0.388 120.464 120.300 -0.375 0.000 2.430 524 Y HA 0.397 4.942 4.550 -0.007 0.000 0.248 524 Y C 1.251 176.783 175.900 -0.614 0.000 1.108 524 Y CA -0.892 56.823 58.100 -0.643 0.000 1.264 524 Y CB -1.012 36.634 38.460 -1.358 0.000 1.172 524 Y HN 0.456 nan 8.280 nan 0.000 0.520 525 N N 0.602 119.122 118.700 -0.301 0.000 2.705 525 N HA -0.250 4.485 4.740 -0.007 0.000 0.255 525 N C -0.133 175.278 175.510 -0.164 0.000 1.008 525 N CA -0.127 52.827 53.050 -0.159 0.000 0.742 525 N CB -0.884 37.567 38.487 -0.059 0.000 0.906 525 N HN 0.091 nan 8.380 nan 0.000 0.541 526 F N 0.438 120.141 119.950 -0.412 0.000 2.451 526 F HA 0.001 4.524 4.527 -0.007 0.000 0.299 526 F C 2.183 177.754 175.800 -0.382 0.000 1.101 526 F CA 0.460 58.048 58.000 -0.687 0.000 1.436 526 F CB -0.295 37.664 39.000 -1.735 0.000 1.074 526 F HN 0.302 nan 8.300 nan 0.000 0.553 527 N N 0.177 118.942 118.700 0.108 0.000 2.381 527 N HA -0.078 4.658 4.740 -0.007 0.000 0.182 527 N C 1.938 177.529 175.510 0.134 0.000 1.025 527 N CA 1.069 54.281 53.050 0.270 0.000 0.888 527 N CB -0.300 38.343 38.487 0.260 0.000 0.965 527 N HN 0.222 nan 8.380 nan 0.000 0.438 528 A N 0.117 122.983 122.820 0.077 0.000 2.208 528 A HA 0.173 4.489 4.320 -0.007 0.000 0.209 528 A C 0.914 178.523 177.584 0.042 0.000 1.161 528 A CA -0.133 51.933 52.037 0.049 0.000 0.782 528 A CB -0.067 18.951 19.000 0.030 0.000 0.816 528 A HN 0.124 nan 8.150 nan 0.000 0.477 529 I N 1.158 121.758 120.570 0.051 0.000 2.416 529 I HA 0.064 4.229 4.170 -0.007 0.000 0.288 529 I C 0.326 176.457 176.117 0.022 0.000 1.051 529 I CA -0.345 60.974 61.300 0.031 0.000 1.375 529 I CB 0.838 38.852 38.000 0.023 0.000 1.407 529 I HN 0.189 nan 8.210 nan 0.000 0.516 530 N N 3.721 122.426 118.700 0.008 0.000 2.250 530 N HA -0.027 4.709 4.740 -0.007 0.000 0.190 530 N C 0.508 176.012 175.510 -0.010 0.000 1.116 530 N CA 0.109 53.160 53.050 0.002 0.000 0.881 530 N CB 0.025 38.514 38.487 0.004 0.000 1.006 530 N HN 0.537 nan 8.380 nan 0.000 0.491 531 N N 2.233 120.924 118.700 -0.015 0.000 2.332 531 N HA -0.088 4.647 4.740 -0.007 0.000 0.274 531 N C 1.184 176.665 175.510 -0.048 0.000 1.351 531 N CA 0.227 53.264 53.050 -0.021 0.000 0.875 531 N CB 0.638 39.105 38.487 -0.034 0.000 1.140 531 N HN 0.175 nan 8.380 nan 0.000 0.489 532 S N 3.556 119.225 115.700 -0.052 0.000 2.383 532 S HA -0.138 4.327 4.470 -0.007 0.000 0.229 532 S C 1.313 175.716 174.600 -0.329 0.000 1.030 532 S CA 0.698 58.775 58.200 -0.205 0.000 1.002 532 S CB -0.035 63.095 63.200 -0.116 0.000 0.829 532 S HN 0.591 nan 8.310 nan 0.000 0.467 533 E N 1.571 121.736 120.200 -0.059 0.000 2.031 533 E HA -0.036 4.310 4.350 -0.007 0.000 0.193 533 E C 2.176 178.794 176.600 0.029 0.000 0.994 533 E CA 1.267 57.703 56.400 0.061 0.000 0.800 533 E CB -0.475 29.303 29.700 0.130 0.000 0.752 533 E HN 0.617 nan 8.360 nan 0.000 0.447 534 I N 0.639 121.188 120.570 -0.035 0.000 2.179 534 I HA -0.259 3.907 4.170 -0.007 0.000 0.242 534 I C 2.856 178.933 176.117 -0.067 0.000 1.088 534 I CA 1.104 62.351 61.300 -0.088 0.000 1.357 534 I CB -0.274 37.647 38.000 -0.132 0.000 1.051 534 I HN 0.019 nan 8.210 nan 0.000 0.409 535 R N 0.712 121.185 120.500 -0.045 0.000 2.073 535 R HA -0.243 4.093 4.340 -0.007 0.000 0.234 535 R C 2.456 178.757 176.300 0.001 0.000 1.134 535 R CA 1.761 57.874 56.100 0.021 0.000 0.952 535 R CB -0.485 29.809 30.300 -0.011 0.000 0.850 535 R HN 0.216 nan 8.270 nan 0.000 0.433 536 F N 1.618 121.394 119.950 -0.290 0.000 2.043 536 F HA -0.277 4.246 4.527 -0.008 0.000 0.297 536 F C 2.061 177.769 175.800 -0.154 0.000 1.118 536 F CA 2.091 59.905 58.000 -0.310 0.000 1.202 536 F CB -0.328 38.356 39.000 -0.527 0.000 0.965 536 F HN -0.030 nan 8.300 nan 0.000 0.482 537 R N -0.669 119.624 120.500 -0.344 0.000 2.115 537 R HA -0.184 4.152 4.340 -0.007 0.000 0.226 537 R C 2.394 178.542 176.300 -0.253 0.000 1.100 537 R CA 1.287 57.123 56.100 -0.439 0.000 0.980 537 R CB -1.031 29.122 30.300 -0.244 0.000 0.875 537 R HN 0.658 nan 8.270 nan 0.000 0.445 538 W N 1.756 122.856 121.300 -0.333 0.000 2.355 538 W HA -0.185 4.471 4.660 -0.007 0.000 0.309 538 W C 1.287 177.700 176.519 -0.177 0.000 1.206 538 W CA 1.160 58.354 57.345 -0.252 0.000 1.284 538 W CB -0.152 29.174 29.460 -0.223 0.000 1.145 538 W HN 0.053 nan 8.180 nan 0.000 0.502 539 L N 0.679 121.682 121.223 -0.367 0.000 2.046 539 L HA -0.212 4.124 4.340 -0.007 0.000 0.208 539 L C 2.888 179.504 176.870 -0.424 0.000 1.077 539 L CA 1.342 55.900 54.840 -0.470 0.000 0.747 539 L CB -0.918 40.979 42.059 -0.269 0.000 0.896 539 L HN -0.042 nan 8.230 nan 0.000 0.432 540 R N -0.151 120.094 120.500 -0.424 0.000 2.094 540 R HA -0.227 4.109 4.340 -0.007 0.000 0.239 540 R C 2.239 178.331 176.300 -0.347 0.000 1.137 540 R CA 1.575 57.434 56.100 -0.401 0.000 0.943 540 R CB -0.772 29.208 30.300 -0.534 0.000 0.850 540 R HN 0.180 nan 8.270 nan 0.000 0.433 541 L N 1.036 122.052 121.223 -0.345 0.000 2.013 541 L HA -0.240 4.095 4.340 -0.007 0.000 0.212 541 L C 2.249 178.919 176.870 -0.333 0.000 1.073 541 L CA 1.685 56.350 54.840 -0.291 0.000 0.753 541 L CB -0.686 41.251 42.059 -0.204 0.000 0.890 541 L HN 0.237 nan 8.230 nan 0.000 0.432 542 C N -0.480 118.533 119.300 -0.478 0.000 2.413 542 C HA -0.170 4.285 4.460 -0.007 0.000 0.277 542 C C 2.708 177.534 174.990 -0.273 0.000 1.228 542 C CA 0.724 59.507 59.018 -0.391 0.000 1.731 542 C CB -1.011 26.400 27.740 -0.548 0.000 2.042 542 C HN 0.575 nan 8.230 nan 0.000 0.468 543 I N 0.803 121.194 120.570 -0.299 0.000 2.226 543 I HA -0.191 3.974 4.170 -0.007 0.000 0.245 543 I C 2.569 178.425 176.117 -0.435 0.000 1.100 543 I CA 1.659 62.782 61.300 -0.295 0.000 1.374 543 I CB -1.604 36.298 38.000 -0.164 0.000 1.057 543 I HN 0.540 nan 8.210 nan 0.000 0.413 544 Q N 0.163 119.768 119.800 -0.324 0.000 2.167 544 Q HA -0.099 4.236 4.340 -0.007 0.000 0.202 544 Q C 1.939 177.753 176.000 -0.310 0.000 0.970 544 Q CA 1.445 57.072 55.803 -0.294 0.000 0.855 544 Q CB -0.082 28.523 28.738 -0.222 0.000 0.911 544 Q HN 0.384 nan 8.270 nan 0.000 0.438 545 S N 0.395 115.917 115.700 -0.296 0.000 2.631 545 S HA 0.066 4.532 4.470 -0.007 0.000 0.217 545 S C -0.162 174.266 174.600 -0.287 0.000 0.958 545 S CA 0.046 58.094 58.200 -0.253 0.000 0.920 545 S CB 0.127 63.204 63.200 -0.204 0.000 0.776 545 S HN 0.283 nan 8.310 nan 0.000 0.517 546 K N -0.054 120.042 120.400 -0.507 0.000 3.167 546 K HA -0.167 4.149 4.320 -0.007 0.000 0.272 546 K C -0.915 175.595 176.600 -0.149 0.000 1.137 546 K CA 0.392 56.234 56.287 -0.741 0.000 0.800 546 K CB -1.610 30.633 32.500 -0.430 0.000 1.253 546 K HN 0.466 nan 8.250 nan 0.000 0.497 547 W N 2.686 123.824 121.300 -0.269 0.000 2.416 547 W HA 0.176 4.832 4.660 -0.008 0.000 0.318 547 W C 0.990 177.544 176.519 0.059 0.000 1.150 547 W CA -0.738 56.556 57.345 -0.084 0.000 1.392 547 W CB 0.165 29.535 29.460 -0.148 0.000 1.311 547 W HN 0.137 nan 8.180 nan 0.000 0.436 548 E N 1.961 122.384 120.200 0.372 0.000 2.204 548 E HA -0.229 4.117 4.350 -0.007 0.000 0.195 548 E C 1.040 177.581 176.600 -0.099 0.000 0.990 548 E CA 1.426 57.942 56.400 0.193 0.000 0.821 548 E CB 0.305 30.106 29.700 0.168 0.000 0.750 548 E HN 0.394 nan 8.360 nan 0.000 0.477 549 D N 0.130 120.276 120.400 -0.423 0.000 2.264 549 D HA -0.095 4.541 4.640 -0.007 0.000 0.208 549 D C 1.508 177.469 176.300 -0.564 0.000 0.966 549 D CA 0.899 54.547 54.000 -0.587 0.000 0.864 549 D CB -0.022 40.175 40.800 -1.004 0.000 0.933 549 D HN 0.176 nan 8.370 nan 0.000 0.499 550 A N -0.168 122.321 122.820 -0.552 0.000 2.178 550 A HA 0.079 4.394 4.320 -0.007 0.000 0.211 550 A C 2.087 179.544 177.584 -0.211 0.000 1.157 550 A CA -0.026 51.773 52.037 -0.397 0.000 0.780 550 A CB -0.329 18.439 19.000 -0.387 0.000 0.828 550 A HN 0.138 nan 8.150 nan 0.000 0.476 551 I N 1.035 121.530 120.570 -0.124 0.000 2.091 551 I HA -0.197 3.968 4.170 -0.007 0.000 0.239 551 I C -0.230 175.823 176.117 -0.107 0.000 1.061 551 I CA 1.829 63.087 61.300 -0.069 0.000 1.317 551 I CB -1.144 36.829 38.000 -0.044 0.000 1.031 551 I HN 0.237 nan 8.210 nan 0.000 0.401 552 P HA -0.145 nan 4.420 nan 0.000 0.218 552 P C 1.927 179.161 177.300 -0.110 0.000 1.149 552 P CA 1.606 64.645 63.100 -0.101 0.000 0.817 552 P CB -0.087 31.559 31.700 -0.089 0.000 0.785 553 L N -0.578 120.566 121.223 -0.132 0.000 2.056 553 L HA -0.112 4.223 4.340 -0.007 0.000 0.207 553 L C 2.808 179.603 176.870 -0.126 0.000 1.078 553 L CA 1.685 56.453 54.840 -0.119 0.000 0.749 553 L CB -1.404 40.577 42.059 -0.130 0.000 0.901 553 L HN -0.050 nan 8.230 nan 0.000 0.433 554 A N 0.392 123.122 122.820 -0.151 0.000 1.873 554 A HA -0.136 4.180 4.320 -0.007 0.000 0.215 554 A C 2.290 179.754 177.584 -0.200 0.000 1.186 554 A CA 1.232 53.173 52.037 -0.161 0.000 0.616 554 A CB -0.722 18.183 19.000 -0.159 0.000 0.823 554 A HN 0.312 nan 8.150 nan 0.000 0.442 555 L N -0.370 120.732 121.223 -0.201 0.000 2.013 555 L HA -0.270 4.066 4.340 -0.007 0.000 0.212 555 L C 2.711 179.452 176.870 -0.215 0.000 1.073 555 L CA 2.200 56.893 54.840 -0.245 0.000 0.753 555 L CB -0.446 41.520 42.059 -0.155 0.000 0.890 555 L HN 0.527 nan 8.230 nan 0.000 0.432 556 K N 0.256 120.571 120.400 -0.141 0.000 2.026 556 K HA -0.243 4.073 4.320 -0.007 0.000 0.208 556 K C 2.228 178.767 176.600 -0.102 0.000 1.048 556 K CA 1.712 57.937 56.287 -0.103 0.000 0.929 556 K CB -0.119 32.341 32.500 -0.068 0.000 0.713 556 K HN 0.182 nan 8.250 nan 0.000 0.439 557 M N 0.197 119.734 119.600 -0.104 0.000 2.229 557 M HA -0.089 4.387 4.480 -0.007 0.000 0.264 557 M C 1.889 178.142 176.300 -0.078 0.000 1.063 557 M CA 1.493 56.747 55.300 -0.076 0.000 1.114 557 M CB -0.015 32.542 32.600 -0.070 0.000 1.387 557 M HN 0.284 nan 8.290 nan 0.000 0.420 558 A N -0.336 122.383 122.820 -0.169 0.000 1.969 558 A HA -0.124 4.192 4.320 -0.007 0.000 0.218 558 A C 2.077 179.597 177.584 -0.106 0.000 1.169 558 A CA 1.982 53.888 52.037 -0.219 0.000 0.635 558 A CB -0.894 17.690 19.000 -0.692 0.000 0.810 558 A HN 0.668 nan 8.150 nan 0.000 0.445 559 T N -2.076 112.384 114.554 -0.157 0.000 3.023 559 T HA 0.034 4.380 4.350 -0.007 0.000 0.249 559 T C 1.523 176.183 174.700 -0.067 0.000 1.050 559 T CA 0.752 62.758 62.100 -0.158 0.000 1.088 559 T CB -0.258 68.334 68.868 -0.461 0.000 0.946 559 T HN 0.702 nan 8.240 nan 0.000 0.480 560 E N 1.509 121.684 120.200 -0.042 0.000 2.427 560 E HA -0.006 4.340 4.350 -0.007 0.000 0.196 560 E C 0.614 177.234 176.600 0.033 0.000 1.028 560 E CA 0.215 56.619 56.400 0.006 0.000 0.864 560 E CB -0.157 29.543 29.700 0.000 0.000 0.813 560 E HN 0.711 nan 8.360 nan 0.000 0.514 561 Q N -1.432 118.393 119.800 0.042 0.000 2.501 561 Q HA 0.579 4.915 4.340 -0.007 0.000 0.288 561 Q C 0.093 176.138 176.000 0.075 0.000 1.051 561 Q CA -0.618 55.227 55.803 0.070 0.000 0.788 561 Q CB 1.198 29.992 28.738 0.093 0.000 1.469 561 Q HN -0.008 nan 8.270 nan 0.000 0.416 562 G N -0.176 108.662 108.800 0.063 0.000 3.695 562 G HA2 0.094 4.049 3.960 -0.007 0.000 0.277 562 G HA3 0.094 4.049 3.960 -0.007 0.000 0.277 562 G C -0.421 174.431 174.900 -0.079 0.000 1.001 562 G CA -0.575 44.545 45.100 0.032 0.000 0.837 562 G HN 0.453 nan 8.290 nan 0.000 0.492 563 R N 1.205 121.649 120.500 -0.093 0.000 2.561 563 R HA 0.107 4.442 4.340 -0.007 0.000 0.347 563 R C 1.598 177.704 176.300 -0.323 0.000 0.916 563 R CA -0.103 55.837 56.100 -0.267 0.000 1.063 563 R CB 0.044 30.158 30.300 -0.310 0.000 0.916 563 R HN 0.214 nan 8.270 nan 0.000 0.410 564 M N 3.477 122.844 119.600 -0.388 0.000 2.202 564 M HA -0.273 4.203 4.480 -0.007 0.000 0.262 564 M C 2.060 178.207 176.300 -0.255 0.000 1.063 564 M CA 1.835 56.963 55.300 -0.287 0.000 1.097 564 M CB -0.292 32.097 32.600 -0.351 0.000 1.382 564 M HN 0.599 nan 8.290 nan 0.000 0.413 565 K N 0.436 120.597 120.400 -0.398 0.000 2.107 565 K HA -0.216 4.100 4.320 -0.007 0.000 0.211 565 K C 1.408 177.672 176.600 -0.560 0.000 1.049 565 K CA 1.860 57.849 56.287 -0.497 0.000 0.927 565 K CB -0.003 32.026 32.500 -0.784 0.000 0.714 565 K HN 0.176 nan 8.250 nan 0.000 0.452 566 F N -0.196 119.442 119.950 -0.521 0.000 2.315 566 F HA 0.082 4.604 4.527 -0.007 0.000 0.284 566 F C 2.554 178.288 175.800 -0.109 0.000 1.049 566 F CA 0.694 58.311 58.000 -0.638 0.000 1.323 566 F CB -1.069 37.645 39.000 -0.478 0.000 1.113 566 F HN -0.080 nan 8.300 nan 0.000 0.544 567 T N 0.739 115.366 114.554 0.122 0.000 2.720 567 T HA -0.174 4.172 4.350 -0.007 0.000 0.268 567 T C 2.166 177.005 174.700 0.232 0.000 1.037 567 T CA 1.568 63.769 62.100 0.168 0.000 1.144 567 T CB -0.196 68.758 68.868 0.143 0.000 0.864 567 T HN 0.124 nan 8.240 nan 0.000 0.444 568 R N 0.603 121.178 120.500 0.125 0.000 2.062 568 R HA -0.047 4.289 4.340 -0.007 0.000 0.231 568 R C -0.495 175.895 176.300 0.150 0.000 1.136 568 R CA 1.462 57.630 56.100 0.114 0.000 0.948 568 R CB -1.286 29.028 30.300 0.024 0.000 0.845 568 R HN 0.348 nan 8.270 nan 0.000 0.430 569 P HA -0.086 nan 4.420 nan 0.000 0.221 569 P C 1.054 178.452 177.300 0.164 0.000 1.150 569 P CA 1.076 64.288 63.100 0.187 0.000 0.800 569 P CB 0.048 31.935 31.700 0.312 0.000 0.787 570 L N -2.514 118.832 121.223 0.206 0.000 2.023 570 L HA -0.126 4.210 4.340 -0.007 0.000 0.205 570 L C 2.307 179.175 176.870 -0.004 0.000 1.073 570 L CA 1.378 56.253 54.840 0.058 0.000 0.745 570 L CB -0.955 41.113 42.059 0.016 0.000 0.900 570 L HN -0.104 nan 8.230 nan 0.000 0.435 571 F N 0.693 120.655 119.950 0.020 0.000 2.091 571 F HA -0.277 4.246 4.527 -0.007 0.000 0.299 571 F C 2.630 178.419 175.800 -0.019 0.000 1.103 571 F CA 1.615 59.607 58.000 -0.015 0.000 1.228 571 F CB -0.426 38.544 39.000 -0.049 0.000 0.984 571 F HN -0.070 nan 8.300 nan 0.000 0.477 572 K N -0.156 120.349 120.400 0.175 0.000 2.032 572 K HA -0.207 4.109 4.320 -0.007 0.000 0.209 572 K C 1.754 178.397 176.600 0.072 0.000 1.048 572 K CA 1.836 58.177 56.287 0.090 0.000 0.927 572 K CB -0.362 32.167 32.500 0.049 0.000 0.712 572 K HN 0.169 nan 8.250 nan 0.000 0.441 573 D N 0.790 121.218 120.400 0.046 0.000 2.117 573 D HA -0.116 4.520 4.640 -0.007 0.000 0.197 573 D C 1.907 178.251 176.300 0.074 0.000 0.987 573 D CA 0.895 54.905 54.000 0.018 0.000 0.829 573 D CB -0.148 40.623 40.800 -0.048 0.000 0.961 573 D HN 0.088 nan 8.370 nan 0.000 0.460 574 L N 0.417 121.682 121.223 0.069 0.000 2.083 574 L HA -0.138 4.198 4.340 -0.007 0.000 0.209 574 L C 2.396 179.350 176.870 0.141 0.000 1.083 574 L CA 1.186 56.084 54.840 0.097 0.000 0.752 574 L CB -0.350 41.710 42.059 0.002 0.000 0.899 574 L HN -0.015 nan 8.230 nan 0.000 0.433 575 A N -0.358 122.546 122.820 0.140 0.000 2.015 575 A HA -0.026 4.290 4.320 -0.007 0.000 0.219 575 A C 2.363 180.125 177.584 0.297 0.000 1.163 575 A CA 1.467 53.617 52.037 0.190 0.000 0.646 575 A CB -0.481 18.602 19.000 0.140 0.000 0.806 575 A HN 0.386 nan 8.150 nan 0.000 0.448 576 A N -1.742 121.195 122.820 0.196 0.000 2.178 576 A HA 0.344 4.659 4.320 -0.007 0.000 0.211 576 A C 0.545 178.256 177.584 0.211 0.000 1.157 576 A CA -0.099 52.031 52.037 0.155 0.000 0.780 576 A CB -0.225 18.825 19.000 0.083 0.000 0.828 576 A HN 0.418 nan 8.150 nan 0.000 0.476 577 F N 2.625 122.601 119.950 0.043 0.000 2.421 577 F HA 0.286 4.809 4.527 -0.008 0.000 0.358 577 F C 1.018 176.851 175.800 0.054 0.000 1.115 577 F CA -1.806 56.209 58.000 0.025 0.000 1.160 577 F CB 0.621 39.622 39.000 0.001 0.000 1.123 577 F HN 0.350 nan 8.300 nan 0.000 0.508 578 D N 4.288 124.797 120.400 0.182 0.000 2.123 578 D HA -0.226 4.410 4.640 -0.007 0.000 0.196 578 D C 1.312 177.486 176.300 -0.211 0.000 0.992 578 D CA 1.440 55.428 54.000 -0.019 0.000 0.833 578 D CB -0.160 40.646 40.800 0.010 0.000 0.954 578 D HN 0.407 nan 8.370 nan 0.000 0.455 579 K N 0.174 120.223 120.400 -0.585 0.000 2.209 579 K HA -0.037 4.278 4.320 -0.007 0.000 0.204 579 K C 2.078 178.364 176.600 -0.523 0.000 1.048 579 K CA 1.367 57.270 56.287 -0.641 0.000 0.940 579 K CB -0.232 31.710 32.500 -0.929 0.000 0.729 579 K HN 0.476 nan 8.250 nan 0.000 0.451 580 S N -0.951 114.429 115.700 -0.533 0.000 2.540 580 S HA 0.013 4.479 4.470 -0.007 0.000 0.222 580 S C 1.669 176.234 174.600 -0.058 0.000 1.008 580 S CA -0.378 57.687 58.200 -0.225 0.000 0.939 580 S CB -0.209 62.909 63.200 -0.136 0.000 0.865 580 S HN 0.277 nan 8.310 nan 0.000 0.499 581 H N 2.747 121.765 119.070 -0.086 0.000 2.255 581 H HA -0.178 4.374 4.556 -0.008 0.000 0.290 581 H C 1.012 176.347 175.328 0.012 0.000 1.087 581 H CA 2.613 58.655 56.048 -0.010 0.000 1.213 581 H CB -0.436 29.321 29.762 -0.009 0.000 1.349 581 H HN 0.354 nan 8.280 nan 0.000 0.487 582 D N 0.449 120.864 120.400 0.025 0.000 2.117 582 D HA -0.135 4.501 4.640 -0.007 0.000 0.197 582 D C 2.417 178.694 176.300 -0.040 0.000 0.987 582 D CA 0.750 54.746 54.000 -0.006 0.000 0.829 582 D CB -0.497 40.339 40.800 0.060 0.000 0.961 582 D HN 0.505 nan 8.370 nan 0.000 0.460 583 Q N -0.057 119.727 119.800 -0.027 0.000 2.124 583 Q HA -0.121 4.215 4.340 -0.007 0.000 0.202 583 Q C 2.071 178.091 176.000 0.032 0.000 0.977 583 Q CA 1.260 57.060 55.803 -0.004 0.000 0.850 583 Q CB -0.025 28.701 28.738 -0.021 0.000 0.901 583 Q HN 0.232 nan 8.270 nan 0.000 0.429 584 A N -0.072 122.755 122.820 0.013 0.000 1.858 584 A HA -0.153 4.163 4.320 -0.007 0.000 0.216 584 A C 2.244 179.949 177.584 0.201 0.000 1.190 584 A CA 1.469 53.586 52.037 0.134 0.000 0.617 584 A CB -0.866 18.194 19.000 0.100 0.000 0.827 584 A HN 0.240 nan 8.150 nan 0.000 0.443 585 V N 0.030 119.941 119.914 -0.004 0.000 2.287 585 V HA -0.303 3.813 4.120 -0.007 0.000 0.248 585 V C 2.691 178.847 176.094 0.104 0.000 1.053 585 V CA 2.493 64.801 62.300 0.014 0.000 1.027 585 V CB -0.801 30.947 31.823 -0.126 0.000 0.646 585 V HN 0.631 nan 8.190 nan 0.000 0.447 586 R N -0.416 120.123 120.500 0.066 0.000 2.091 586 R HA -0.176 4.159 4.340 -0.007 0.000 0.238 586 R C 2.379 178.752 176.300 0.123 0.000 1.136 586 R CA 2.158 58.301 56.100 0.071 0.000 0.959 586 R CB -0.481 29.846 30.300 0.044 0.000 0.856 586 R HN 0.586 nan 8.270 nan 0.000 0.437 587 T N 0.008 114.682 114.554 0.200 0.000 2.746 587 T HA -0.202 4.143 4.350 -0.007 0.000 0.267 587 T C 1.337 176.276 174.700 0.398 0.000 1.039 587 T CA 1.495 63.782 62.100 0.311 0.000 1.142 587 T CB -0.479 68.569 68.868 0.300 0.000 0.866 587 T HN 0.388 nan 8.240 nan 0.000 0.444 588 Y N 2.110 122.534 120.300 0.207 0.000 2.145 588 Y HA -0.194 4.351 4.550 -0.007 0.000 0.286 588 Y C 2.476 178.381 175.900 0.009 0.000 1.145 588 Y CA 1.395 59.468 58.100 -0.045 0.000 1.148 588 Y CB -0.623 37.605 38.460 -0.386 0.000 0.981 588 Y HN 0.214 nan 8.280 nan 0.000 0.507 589 Q N 0.050 119.722 119.800 -0.214 0.000 2.135 589 Q HA -0.219 4.117 4.340 -0.007 0.000 0.204 589 Q C 2.125 178.004 176.000 -0.202 0.000 0.981 589 Q CA 2.017 57.649 55.803 -0.285 0.000 0.856 589 Q CB -0.173 28.505 28.738 -0.101 0.000 0.902 589 Q HN 0.656 nan 8.270 nan 0.000 0.425 590 E N -0.537 119.610 120.200 -0.088 0.000 2.072 590 E HA -0.168 4.178 4.350 -0.007 0.000 0.191 590 E C 1.555 178.038 176.600 -0.196 0.000 0.985 590 E CA 0.993 57.323 56.400 -0.118 0.000 0.801 590 E CB 0.050 29.700 29.700 -0.082 0.000 0.750 590 E HN 0.490 nan 8.360 nan 0.000 0.452 591 H N 0.037 119.061 119.070 -0.077 0.000 2.547 591 H HA 0.074 4.626 4.556 -0.007 0.000 0.272 591 H C 1.791 177.061 175.328 -0.096 0.000 0.971 591 H CA 0.718 56.745 56.048 -0.035 0.000 1.245 591 H CB 0.241 30.044 29.762 0.069 0.000 1.440 591 H HN -0.026 nan 8.280 nan 0.000 0.540 592 K N 1.156 121.456 120.400 -0.167 0.000 2.077 592 K HA -0.268 4.048 4.320 -0.007 0.000 0.213 592 K C 2.123 178.652 176.600 -0.118 0.000 1.051 592 K CA 1.737 57.854 56.287 -0.283 0.000 0.929 592 K CB -0.250 31.892 32.500 -0.596 0.000 0.715 592 K HN 0.301 nan 8.250 nan 0.000 0.451 593 A N 0.323 123.079 122.820 -0.107 0.000 2.067 593 A HA -0.071 4.245 4.320 -0.007 0.000 0.219 593 A C 1.810 179.380 177.584 -0.023 0.000 1.158 593 A CA 1.646 53.645 52.037 -0.064 0.000 0.661 593 A CB -0.263 18.696 19.000 -0.068 0.000 0.801 593 A HN 0.547 nan 8.150 nan 0.000 0.452 594 S N -1.638 114.062 115.700 -0.001 0.000 2.568 594 S HA 0.484 4.950 4.470 -0.007 0.000 0.232 594 S C 0.463 175.113 174.600 0.083 0.000 0.975 594 S CA -0.447 57.779 58.200 0.042 0.000 0.949 594 S CB -0.309 62.916 63.200 0.042 0.000 0.829 594 S HN 0.415 nan 8.310 nan 0.000 0.479 595 M N 1.921 121.567 119.600 0.075 0.000 2.267 595 M HA 0.284 4.759 4.480 -0.007 0.000 0.303 595 M C 0.643 176.995 176.300 0.087 0.000 1.164 595 M CA -0.565 54.802 55.300 0.111 0.000 1.060 595 M CB 0.419 33.090 32.600 0.117 0.000 1.455 595 M HN 0.291 nan 8.290 nan 0.000 0.483 596 H N 3.220 122.312 119.070 0.037 0.000 2.886 596 H HA 0.069 4.620 4.556 -0.008 0.000 0.329 596 H C -1.859 173.450 175.328 -0.032 0.000 1.044 596 H CA -0.943 55.100 56.048 -0.008 0.000 1.456 596 H CB 0.971 30.734 29.762 0.002 0.000 1.464 596 H HN 0.336 nan 8.280 nan 0.000 0.573 597 P HA -0.156 nan 4.420 nan 0.000 0.218 597 P C 1.500 178.785 177.300 -0.024 0.000 1.148 597 P CA 0.742 63.744 63.100 -0.163 0.000 0.822 597 P CB 0.447 32.001 31.700 -0.243 0.000 0.784 598 V N 0.056 120.026 119.914 0.093 0.000 2.446 598 V HA -0.129 3.987 4.120 -0.007 0.000 0.244 598 V C 2.601 178.720 176.094 0.042 0.000 1.039 598 V CA 2.295 64.641 62.300 0.076 0.000 1.045 598 V CB -1.832 30.017 31.823 0.044 0.000 0.681 598 V HN 0.141 nan 8.190 nan 0.000 0.459 599 T N 0.888 115.482 114.554 0.068 0.000 2.720 599 T HA -0.192 4.154 4.350 -0.007 0.000 0.268 599 T C 2.096 176.817 174.700 0.034 0.000 1.037 599 T CA 1.702 63.797 62.100 -0.009 0.000 1.144 599 T CB -0.460 68.401 68.868 -0.010 0.000 0.864 599 T HN 0.544 nan 8.240 nan 0.000 0.444 600 A N 1.992 124.867 122.820 0.091 0.000 1.883 600 A HA -0.088 4.228 4.320 -0.007 0.000 0.217 600 A C 2.323 179.993 177.584 0.144 0.000 1.186 600 A CA 1.696 53.831 52.037 0.163 0.000 0.624 600 A CB -0.744 18.319 19.000 0.105 0.000 0.822 600 A HN 0.388 nan 8.150 nan 0.000 0.444 601 M N -0.424 119.218 119.600 0.071 0.000 2.065 601 M HA -0.122 4.354 4.480 -0.007 0.000 0.259 601 M C 2.058 178.357 176.300 -0.002 0.000 1.069 601 M CA 1.826 57.154 55.300 0.046 0.000 1.110 601 M CB -0.642 31.980 32.600 0.038 0.000 1.328 601 M HN 0.447 nan 8.290 nan 0.000 0.405 602 L N -0.827 120.379 121.223 -0.027 0.000 2.109 602 L HA -0.148 4.188 4.340 -0.007 0.000 0.207 602 L C 2.355 179.151 176.870 -0.122 0.000 1.086 602 L CA 0.443 55.252 54.840 -0.052 0.000 0.760 602 L CB -0.524 41.509 42.059 -0.042 0.000 0.910 602 L HN 0.103 nan 8.230 nan 0.000 0.437 603 V N 0.139 119.933 119.914 -0.200 0.000 2.307 603 V HA -0.191 3.925 4.120 -0.007 0.000 0.245 603 V C 2.658 178.340 176.094 -0.688 0.000 1.045 603 V CA 1.957 63.999 62.300 -0.429 0.000 1.024 603 V CB -1.299 30.182 31.823 -0.571 0.000 0.651 603 V HN 0.556 nan 8.190 nan 0.000 0.449 604 G N -0.155 108.240 108.800 -0.676 0.000 2.469 604 G HA2 -0.304 3.652 3.960 -0.007 0.000 0.219 604 G HA3 -0.304 3.652 3.960 -0.007 0.000 0.219 604 G C 1.683 176.453 174.900 -0.217 0.000 1.150 604 G CA 1.162 45.987 45.100 -0.458 0.000 0.763 604 G HN 0.479 nan 8.290 nan 0.000 0.561 605 K N 0.031 120.354 120.400 -0.128 0.000 2.057 605 K HA -0.047 4.269 4.320 -0.007 0.000 0.206 605 K C 2.202 178.759 176.600 -0.071 0.000 1.050 605 K CA 1.155 57.406 56.287 -0.061 0.000 0.935 605 K CB -0.095 32.395 32.500 -0.017 0.000 0.715 605 K HN 0.121 nan 8.250 nan 0.000 0.439 606 D N 0.965 121.299 120.400 -0.111 0.000 2.123 606 D HA -0.147 4.489 4.640 -0.007 0.000 0.196 606 D C 1.659 177.909 176.300 -0.084 0.000 0.992 606 D CA 1.126 55.075 54.000 -0.085 0.000 0.833 606 D CB -0.014 40.727 40.800 -0.099 0.000 0.954 606 D HN 0.153 nan 8.370 nan 0.000 0.455 607 L N -0.203 120.922 121.223 -0.164 0.000 2.554 607 L HA 0.081 4.416 4.340 -0.007 0.000 0.226 607 L C 0.503 177.347 176.870 -0.044 0.000 1.137 607 L CA 0.098 54.864 54.840 -0.123 0.000 0.863 607 L CB -0.097 41.808 42.059 -0.257 0.000 0.985 607 L HN -0.030 nan 8.230 nan 0.000 0.451 608 K N 0.641 121.015 120.400 -0.044 0.000 3.096 608 K HA -0.156 4.159 4.320 -0.007 0.000 0.266 608 K C -0.336 176.273 176.600 0.015 0.000 1.043 608 K CA 0.498 56.785 56.287 -0.001 0.000 0.758 608 K CB -1.613 30.902 32.500 0.025 0.000 1.260 608 K HN 0.335 nan 8.250 nan 0.000 0.481 609 V N -3.004 116.910 119.914 -0.001 0.000 2.994 609 V HA 0.647 4.763 4.120 -0.007 0.000 0.318 609 V C 0.537 176.675 176.094 0.074 0.000 1.085 609 V CA -0.806 61.525 62.300 0.052 0.000 0.998 609 V CB 1.796 33.683 31.823 0.106 0.000 1.063 609 V HN 0.356 nan 8.190 nan 0.000 0.447 610 D N 0.000 120.451 120.400 0.084 0.000 6.856 610 D HA 0.000 4.636 4.640 -0.007 0.000 0.175 610 D CA 0.000 54.040 54.000 0.066 0.000 0.868 610 D CB 0.000 40.848 40.800 0.080 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683