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 1vz3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGcDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTcDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.660 32.600 0.100 0.000 1.302 2 L N 3.432 124.595 121.223 -0.100 0.000 2.515 2 L HA 0.211 4.551 4.340 0.001 0.000 0.281 2 L C 0.810 177.447 176.870 -0.390 0.000 1.131 2 L CA 0.733 55.350 54.840 -0.373 0.000 0.905 2 L CB 0.553 42.247 42.059 -0.608 0.000 1.246 2 L HN 0.450 nan 8.230 nan 0.000 0.463 3 S N 2.239 117.794 115.700 -0.242 0.000 2.561 3 S HA 0.365 4.835 4.470 0.001 0.000 0.245 3 S C -0.099 174.485 174.600 -0.027 0.000 1.001 3 S CA -0.685 57.453 58.200 -0.103 0.000 1.002 3 S CB -0.579 62.633 63.200 0.020 0.000 0.805 3 S HN 0.299 nan 8.310 nan 0.000 0.458 4 F N -0.562 119.350 119.950 -0.063 0.000 2.620 4 F HA 0.763 5.291 4.527 0.001 0.000 0.320 4 F C -0.597 175.086 175.800 -0.196 0.000 1.069 4 F CA -1.429 56.512 58.000 -0.099 0.000 0.953 4 F CB 1.124 40.073 39.000 -0.085 0.000 1.322 4 F HN 0.044 nan 8.300 nan 0.000 0.479 5 Q N 1.200 121.058 119.800 0.096 0.000 2.274 5 Q HA 0.394 4.735 4.340 0.001 0.000 0.260 5 Q C -1.645 174.403 176.000 0.081 0.000 0.974 5 Q CA -0.895 54.901 55.803 -0.012 0.000 0.876 5 Q CB 1.327 30.079 28.738 0.023 0.000 1.297 5 Q HN 0.727 nan 8.270 nan 0.000 0.446 6 Y N 2.836 123.246 120.300 0.183 0.000 2.480 6 Y HA 0.178 4.729 4.550 0.001 0.000 0.338 6 Y C -1.725 174.217 175.900 0.069 0.000 1.220 6 Y CA -1.671 56.501 58.100 0.120 0.000 1.430 6 Y CB -0.175 38.338 38.460 0.088 0.000 1.311 6 Y HN 0.571 nan 8.280 nan 0.000 0.575 7 P HA -0.001 nan 4.420 nan 0.000 0.269 7 P C -0.839 176.560 177.300 0.165 0.000 1.209 7 P CA -0.178 62.991 63.100 0.116 0.000 0.776 7 P CB 0.558 32.260 31.700 0.002 0.000 0.876 8 D N 0.838 121.336 120.400 0.163 0.000 2.458 8 D HA 0.153 4.793 4.640 0.001 0.000 0.243 8 D C -0.321 176.141 176.300 0.270 0.000 1.146 8 D CA 0.564 54.685 54.000 0.201 0.000 0.877 8 D CB 0.236 41.136 40.800 0.166 0.000 1.176 8 D HN -0.053 nan 8.370 nan 0.000 0.461 9 V N 3.676 123.789 119.914 0.333 0.000 2.488 9 V HA 0.054 4.174 4.120 0.001 0.000 0.293 9 V C -0.540 175.873 176.094 0.531 0.000 1.027 9 V CA -1.092 61.504 62.300 0.495 0.000 0.862 9 V CB 1.169 33.263 31.823 0.452 0.000 1.008 9 V HN 0.412 nan 8.190 nan 0.000 0.428 10 Y N 5.439 125.980 120.300 0.401 0.000 2.620 10 Y HA 0.283 4.833 4.550 0.001 0.000 0.330 10 Y C 0.755 176.896 175.900 0.402 0.000 1.186 10 Y CA 0.124 58.362 58.100 0.231 0.000 1.467 10 Y CB 0.485 38.886 38.460 -0.098 0.000 1.262 10 Y HN 0.560 nan 8.280 nan 0.000 0.550 11 R N 4.745 124.875 120.500 -0.617 0.000 2.229 11 R HA 0.116 4.457 4.340 0.001 0.000 0.332 11 R C -1.075 174.656 176.300 -0.948 0.000 0.989 11 R CA -0.792 54.905 56.100 -0.672 0.000 0.842 11 R CB 0.544 30.461 30.300 -0.637 0.000 1.119 11 R HN 0.609 nan 8.270 nan 0.000 0.456 12 D N 3.188 123.309 120.400 -0.465 0.000 2.435 12 D HA -0.010 4.630 4.640 0.001 0.000 0.230 12 D C 0.421 176.614 176.300 -0.177 0.000 1.215 12 D CA 0.051 53.938 54.000 -0.190 0.000 0.947 12 D CB 0.724 41.619 40.800 0.159 0.000 1.048 12 D HN 0.408 nan 8.370 nan 0.000 0.512 13 E N 1.514 121.594 120.200 -0.200 0.000 2.511 13 E HA -0.078 4.272 4.350 0.001 0.000 0.196 13 E C 1.495 178.058 176.600 -0.061 0.000 1.066 13 E CA 0.449 56.766 56.400 -0.139 0.000 0.871 13 E CB -0.011 29.613 29.700 -0.127 0.000 0.863 13 E HN 0.589 nan 8.360 nan 0.000 0.520 14 T N -2.096 112.442 114.554 -0.028 0.000 3.100 14 T HA 0.243 4.593 4.350 0.001 0.000 0.253 14 T C 1.022 175.723 174.700 0.001 0.000 1.118 14 T CA 0.129 62.227 62.100 -0.003 0.000 1.058 14 T CB 0.145 69.023 68.868 0.016 0.000 0.953 14 T HN 0.048 nan 8.240 nan 0.000 0.515 15 A N 1.824 124.642 122.820 -0.002 0.000 2.539 15 A HA 0.653 4.973 4.320 0.001 0.000 0.306 15 A C -0.163 177.429 177.584 0.013 0.000 1.392 15 A CA -0.568 51.477 52.037 0.013 0.000 1.060 15 A CB -0.705 18.310 19.000 0.025 0.000 1.134 15 A HN 0.665 nan 8.150 nan 0.000 0.542 16 I N 1.463 122.040 120.570 0.013 0.000 2.533 16 I HA 0.387 4.558 4.170 0.001 0.000 0.290 16 I C -0.254 175.863 176.117 -0.000 0.000 1.056 16 I CA -0.372 60.940 61.300 0.020 0.000 1.057 16 I CB 2.272 40.278 38.000 0.009 0.000 1.240 16 I HN 0.726 nan 8.210 nan 0.000 0.423 17 Q N 4.791 124.600 119.800 0.015 0.000 2.375 17 Q HA 0.292 4.632 4.340 0.001 0.000 0.271 17 Q C -1.660 174.277 176.000 -0.105 0.000 1.074 17 Q CA -0.737 55.009 55.803 -0.095 0.000 0.808 17 Q CB 2.690 31.331 28.738 -0.161 0.000 1.327 17 Q HN 0.623 nan 8.270 nan 0.000 0.441 18 D N 2.803 123.065 120.400 -0.231 0.000 2.274 18 D HA 0.171 4.812 4.640 0.001 0.000 0.239 18 D C -1.412 174.634 176.300 -0.422 0.000 1.104 18 D CA -0.180 53.695 54.000 -0.209 0.000 0.840 18 D CB 0.548 41.240 40.800 -0.180 0.000 1.100 18 D HN 0.499 nan 8.370 nan 0.000 0.477 19 Y N 3.631 123.716 120.300 -0.357 0.000 2.478 19 Y HA 0.181 4.732 4.550 0.001 0.000 0.329 19 Y C 0.383 175.965 175.900 -0.531 0.000 0.967 19 Y CA -0.658 57.057 58.100 -0.642 0.000 1.255 19 Y CB 0.350 38.241 38.460 -0.948 0.000 1.103 19 Y HN 0.470 nan 8.280 nan 0.000 0.497 20 H N 1.612 120.581 119.070 -0.170 0.000 2.713 20 H HA -0.238 4.318 4.556 0.001 0.000 0.311 20 H C 1.426 176.649 175.328 -0.175 0.000 1.175 20 H CA 0.897 56.870 56.048 -0.125 0.000 1.143 20 H CB -1.494 28.229 29.762 -0.065 0.000 1.434 20 H HN 1.107 nan 8.280 nan 0.000 0.418 21 G N -0.388 108.319 108.800 -0.155 0.000 2.217 21 G HA2 -0.278 3.682 3.960 0.001 0.000 0.246 21 G HA3 -0.278 3.682 3.960 0.001 0.000 0.246 21 G C -0.022 174.719 174.900 -0.264 0.000 0.990 21 G CA 0.365 45.336 45.100 -0.215 0.000 0.627 21 G HN 0.720 nan 8.290 nan 0.000 0.522 22 H N 1.399 120.414 119.070 -0.091 0.000 2.652 22 H HA 0.351 4.907 4.556 0.001 0.000 0.298 22 H C 0.072 175.402 175.328 0.004 0.000 1.076 22 H CA -0.271 55.758 56.048 -0.031 0.000 1.360 22 H CB 1.051 30.786 29.762 -0.045 0.000 1.421 22 H HN 0.040 nan 8.280 nan 0.000 0.464 23 K N 3.147 123.626 120.400 0.131 0.000 2.276 23 K HA 0.272 4.593 4.320 0.001 0.000 0.283 23 K C -0.224 176.483 176.600 0.178 0.000 1.044 23 K CA -0.591 55.765 56.287 0.116 0.000 0.944 23 K CB 1.675 34.212 32.500 0.061 0.000 1.012 23 K HN 0.278 nan 8.250 nan 0.000 0.472 24 V N 3.479 123.520 119.914 0.212 0.000 2.487 24 V HA 0.200 4.321 4.120 0.001 0.000 0.298 24 V C -0.229 175.970 176.094 0.175 0.000 1.028 24 V CA -0.961 61.473 62.300 0.224 0.000 0.860 24 V CB 1.744 33.740 31.823 0.288 0.000 0.991 24 V HN 0.800 nan 8.190 nan 0.000 0.427 25 C N 3.230 122.610 119.300 0.134 0.000 2.388 25 C HA 0.514 4.975 4.460 0.001 0.000 0.362 25 C C 0.442 175.478 174.990 0.076 0.000 1.266 25 C CA -0.311 58.751 59.018 0.073 0.000 2.028 25 C CB 0.519 28.275 27.740 0.026 0.000 2.440 25 C HN 0.915 nan 8.230 nan 0.000 0.547 26 D N 2.489 122.908 120.400 0.031 0.000 2.513 26 D HA 0.280 4.920 4.640 0.001 0.000 0.295 26 D C -1.370 174.858 176.300 -0.120 0.000 1.202 26 D CA -1.292 52.710 54.000 0.004 0.000 0.849 26 D CB 0.747 41.598 40.800 0.086 0.000 1.116 26 D HN 0.287 nan 8.370 nan 0.000 0.502 27 P HA -0.099 nan 4.420 nan 0.000 0.226 27 P C 0.240 177.211 177.300 -0.548 0.000 1.153 27 P CA 0.666 63.477 63.100 -0.481 0.000 0.777 27 P CB 0.075 31.308 31.700 -0.779 0.000 0.794 28 Y N -1.032 119.142 120.300 -0.209 0.000 2.658 28 Y HA 0.497 5.048 4.550 0.001 0.000 0.276 28 Y C 2.218 177.742 175.900 -0.626 0.000 1.167 28 Y CA -0.606 57.146 58.100 -0.579 0.000 1.230 28 Y CB -0.959 37.146 38.460 -0.592 0.000 1.144 28 Y HN -0.076 nan 8.280 nan 0.000 0.529 29 A N 1.214 123.924 122.820 -0.183 0.000 1.978 29 A HA -0.191 4.130 4.320 0.001 0.000 0.220 29 A C 1.913 179.458 177.584 -0.066 0.000 1.170 29 A CA 1.665 53.653 52.037 -0.081 0.000 0.636 29 A CB -1.059 17.960 19.000 0.033 0.000 0.810 29 A HN 0.819 nan 8.150 nan 0.000 0.448 30 W N -0.448 120.856 121.300 0.007 0.000 2.468 30 W HA -0.052 4.608 4.660 0.001 0.000 0.262 30 W C 0.925 177.415 176.519 -0.049 0.000 1.241 30 W CA 0.636 57.980 57.345 -0.001 0.000 1.232 30 W CB -1.024 28.458 29.460 0.038 0.000 1.124 30 W HN 0.246 nan 8.180 nan 0.000 0.597 31 L N 1.195 122.064 121.223 -0.590 0.000 2.551 31 L HA -0.067 4.274 4.340 0.001 0.000 0.228 31 L C 2.151 178.841 176.870 -0.301 0.000 1.153 31 L CA 0.988 55.483 54.840 -0.576 0.000 0.851 31 L CB -0.517 40.962 42.059 -0.966 0.000 0.959 31 L HN -0.020 nan 8.230 nan 0.000 0.451 32 E N -0.533 119.541 120.200 -0.210 0.000 2.338 32 E HA -0.147 4.204 4.350 0.001 0.000 0.197 32 E C 0.419 176.945 176.600 -0.124 0.000 1.007 32 E CA 0.344 56.626 56.400 -0.197 0.000 0.849 32 E CB 0.071 29.704 29.700 -0.112 0.000 0.774 32 E HN 0.226 nan 8.360 nan 0.000 0.506 33 D N 0.505 120.885 120.400 -0.034 0.000 2.428 33 D HA 0.038 4.678 4.640 0.001 0.000 0.221 33 D C -1.688 174.613 176.300 0.002 0.000 1.123 33 D CA -2.600 51.404 54.000 0.006 0.000 0.869 33 D CB 1.159 41.997 40.800 0.063 0.000 1.032 33 D HN -0.125 nan 8.370 nan 0.000 0.506 34 P HA -0.024 nan 4.420 nan 0.000 0.226 34 P C 0.247 177.551 177.300 0.007 0.000 1.153 34 P CA 0.591 63.678 63.100 -0.022 0.000 0.777 34 P CB 0.623 32.294 31.700 -0.048 0.000 0.794 35 D N -0.379 120.030 120.400 0.015 0.000 2.350 35 D HA 0.005 4.646 4.640 0.001 0.000 0.213 35 D C 0.958 177.279 176.300 0.035 0.000 1.031 35 D CA 0.409 54.420 54.000 0.019 0.000 0.861 35 D CB 0.141 40.949 40.800 0.013 0.000 0.926 35 D HN 0.254 nan 8.370 nan 0.000 0.520 36 S N 0.619 116.352 115.700 0.055 0.000 2.592 36 S HA 0.102 4.572 4.470 0.001 0.000 0.271 36 S C 1.268 175.909 174.600 0.068 0.000 1.326 36 S CA -0.528 57.709 58.200 0.061 0.000 1.024 36 S CB 2.077 65.331 63.200 0.090 0.000 0.921 36 S HN -0.162 nan 8.310 nan 0.000 0.527 37 E N 1.713 121.938 120.200 0.042 0.000 2.110 37 E HA -0.171 4.179 4.350 0.001 0.000 0.193 37 E C 2.007 178.649 176.600 0.070 0.000 0.988 37 E CA 1.445 57.870 56.400 0.042 0.000 0.804 37 E CB -0.488 29.218 29.700 0.011 0.000 0.745 37 E HN 0.792 nan 8.360 nan 0.000 0.458 38 Q N -0.149 119.689 119.800 0.063 0.000 2.050 38 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 38 Q C 2.256 178.462 176.000 0.345 0.000 0.980 38 Q CA 1.999 57.857 55.803 0.091 0.000 0.840 38 Q CB -0.527 28.142 28.738 -0.115 0.000 0.898 38 Q HN 0.180 nan 8.270 nan 0.000 0.424 39 T N 0.640 115.402 114.554 0.346 0.000 2.777 39 T HA -0.082 4.269 4.350 0.001 0.000 0.266 39 T C 1.510 176.365 174.700 0.259 0.000 1.040 39 T CA 1.105 63.395 62.100 0.316 0.000 1.141 39 T CB -0.089 68.879 68.868 0.167 0.000 0.868 39 T HN 0.201 nan 8.240 nan 0.000 0.444 40 K N 1.230 121.733 120.400 0.173 0.000 2.063 40 K HA -0.004 4.316 4.320 0.001 0.000 0.208 40 K C 2.614 179.301 176.600 0.145 0.000 1.048 40 K CA 1.269 57.634 56.287 0.130 0.000 0.928 40 K CB -0.261 32.288 32.500 0.082 0.000 0.713 40 K HN 0.276 nan 8.250 nan 0.000 0.442 41 A N 0.919 123.838 122.820 0.164 0.000 1.969 41 A HA -0.149 4.172 4.320 0.001 0.000 0.218 41 A C 1.950 179.646 177.584 0.188 0.000 1.169 41 A CA 0.927 53.051 52.037 0.144 0.000 0.635 41 A CB -0.602 18.470 19.000 0.120 0.000 0.810 41 A HN 0.360 nan 8.150 nan 0.000 0.445 42 F N 0.682 120.711 119.950 0.132 0.000 2.102 42 F HA -0.172 4.355 4.527 0.001 0.000 0.298 42 F C 2.196 178.026 175.800 0.050 0.000 1.105 42 F CA 2.118 60.192 58.000 0.124 0.000 1.239 42 F CB -0.264 38.839 39.000 0.171 0.000 0.991 42 F HN 0.030 nan 8.300 nan 0.000 0.474 43 V N 0.563 120.605 119.914 0.213 0.000 2.343 43 V HA -0.257 3.863 4.120 0.001 0.000 0.247 43 V C 2.476 178.544 176.094 -0.043 0.000 1.051 43 V CA 2.118 64.456 62.300 0.063 0.000 1.036 43 V CB -0.662 31.228 31.823 0.112 0.000 0.654 43 V HN 0.319 nan 8.190 nan 0.000 0.451 44 E N 0.285 120.486 120.200 0.002 0.000 2.058 44 E HA -0.224 4.126 4.350 0.001 0.000 0.194 44 E C 2.369 178.940 176.600 -0.047 0.000 0.997 44 E CA 1.668 58.062 56.400 -0.009 0.000 0.801 44 E CB -0.446 29.266 29.700 0.020 0.000 0.746 44 E HN 0.568 nan 8.360 nan 0.000 0.450 45 A N 1.191 123.967 122.820 -0.074 0.000 1.933 45 A HA -0.191 4.130 4.320 0.001 0.000 0.218 45 A C 2.105 179.593 177.584 -0.160 0.000 1.175 45 A CA 1.188 53.167 52.037 -0.096 0.000 0.628 45 A CB -0.258 18.695 19.000 -0.078 0.000 0.814 45 A HN 0.130 nan 8.150 nan 0.000 0.444 46 Q N 0.002 119.635 119.800 -0.278 0.000 2.049 46 Q HA -0.108 4.232 4.340 0.001 0.000 0.198 46 Q C 1.707 177.614 176.000 -0.155 0.000 0.971 46 Q CA 1.317 56.949 55.803 -0.286 0.000 0.833 46 Q CB -0.553 27.925 28.738 -0.433 0.000 0.896 46 Q HN 0.629 nan 8.270 nan 0.000 0.434 47 N N 1.175 119.816 118.700 -0.099 0.000 2.223 47 N HA -0.148 4.592 4.740 0.001 0.000 0.185 47 N C 1.562 177.065 175.510 -0.012 0.000 1.016 47 N CA 0.892 53.940 53.050 -0.004 0.000 0.863 47 N CB -0.168 38.331 38.487 0.021 0.000 0.983 47 N HN 0.276 nan 8.380 nan 0.000 0.429 48 K N 1.076 121.451 120.400 -0.041 0.000 2.147 48 K HA -0.077 4.244 4.320 0.001 0.000 0.205 48 K C 1.881 178.446 176.600 -0.059 0.000 1.049 48 K CA 0.943 57.211 56.287 -0.031 0.000 0.936 48 K CB 0.021 32.507 32.500 -0.025 0.000 0.722 48 K HN 0.338 nan 8.250 nan 0.000 0.446 49 I N -3.216 117.278 120.570 -0.126 0.000 2.867 49 I HA 0.005 4.176 4.170 0.001 0.000 0.265 49 I C 1.683 177.626 176.117 -0.290 0.000 1.162 49 I CA 0.468 61.614 61.300 -0.255 0.000 1.471 49 I CB -0.326 37.416 38.000 -0.429 0.000 1.123 49 I HN -0.151 nan 8.210 nan 0.000 0.440 50 T N 1.640 116.078 114.554 -0.192 0.000 2.777 50 T HA -0.056 4.295 4.350 0.001 0.000 0.266 50 T C 2.103 176.795 174.700 -0.014 0.000 1.040 50 T CA 1.715 63.746 62.100 -0.115 0.000 1.141 50 T CB -0.250 68.580 68.868 -0.063 0.000 0.868 50 T HN 0.190 nan 8.240 nan 0.000 0.444 51 V N 2.238 122.142 119.914 -0.017 0.000 2.295 51 V HA -0.099 4.021 4.120 0.001 0.000 0.246 51 V C -0.521 175.578 176.094 0.009 0.000 1.049 51 V CA 1.709 63.994 62.300 -0.025 0.000 1.024 51 V CB -1.499 30.319 31.823 -0.009 0.000 0.648 51 V HN 0.359 nan 8.190 nan 0.000 0.447 52 P HA -0.175 nan 4.420 nan 0.000 0.218 52 P C 1.685 179.029 177.300 0.074 0.000 1.148 52 P CA 1.388 64.511 63.100 0.039 0.000 0.822 52 P CB -0.113 31.615 31.700 0.046 0.000 0.784 53 F N 0.100 120.031 119.950 -0.032 0.000 2.134 53 F HA -0.143 4.385 4.527 0.001 0.000 0.299 53 F C 1.891 177.721 175.800 0.050 0.000 1.097 53 F CA 1.477 59.494 58.000 0.028 0.000 1.264 53 F CB -0.664 38.341 39.000 0.008 0.000 1.001 53 F HN -0.252 nan 8.300 nan 0.000 0.479 54 L N -0.431 120.895 121.223 0.171 0.000 2.156 54 L HA -0.123 4.217 4.340 0.001 0.000 0.208 54 L C 1.993 178.851 176.870 -0.020 0.000 1.095 54 L CA 1.335 56.227 54.840 0.087 0.000 0.770 54 L CB -0.556 41.534 42.059 0.052 0.000 0.914 54 L HN 0.156 nan 8.230 nan 0.000 0.439 55 E N -0.773 119.409 120.200 -0.030 0.000 2.415 55 E HA -0.114 4.236 4.350 0.001 0.000 0.197 55 E C 1.954 178.522 176.600 -0.053 0.000 1.007 55 E CA -0.022 56.355 56.400 -0.039 0.000 0.890 55 E CB 0.291 29.974 29.700 -0.028 0.000 0.891 55 E HN 0.407 nan 8.360 nan 0.000 0.496 56 Q N 0.109 119.865 119.800 -0.073 0.000 2.096 56 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 56 Q C 0.311 176.263 176.000 -0.080 0.000 0.982 56 Q CA 0.938 56.696 55.803 -0.075 0.000 0.850 56 Q CB 0.175 28.849 28.738 -0.108 0.000 0.901 56 Q HN 0.207 nan 8.270 nan 0.000 0.422 57 C N 0.688 119.925 119.300 -0.104 0.000 2.401 57 C HA 0.204 4.665 4.460 0.001 0.000 0.365 57 C C -1.226 173.723 174.990 -0.069 0.000 1.250 57 C CA -1.452 57.514 59.018 -0.086 0.000 2.131 57 C CB 0.792 28.470 27.740 -0.103 0.000 2.445 57 C HN 0.427 nan 8.230 nan 0.000 0.550 58 P HA -0.097 nan 4.420 nan 0.000 0.221 58 P C 1.347 178.574 177.300 -0.121 0.000 1.145 58 P CA 0.989 64.040 63.100 -0.081 0.000 0.795 58 P CB 0.002 31.660 31.700 -0.069 0.000 0.775 59 I N -0.754 119.764 120.570 -0.087 0.000 2.493 59 I HA -0.225 3.946 4.170 0.001 0.000 0.254 59 I C 2.491 178.548 176.117 -0.100 0.000 1.160 59 I CA 1.041 62.278 61.300 -0.104 0.000 1.445 59 I CB -0.018 38.012 38.000 0.051 0.000 1.086 59 I HN -0.175 nan 8.210 nan 0.000 0.433 60 R N 0.466 120.937 120.500 -0.049 0.000 2.073 60 R HA -0.160 4.180 4.340 0.001 0.000 0.234 60 R C 2.224 178.501 176.300 -0.038 0.000 1.134 60 R CA 1.720 57.811 56.100 -0.014 0.000 0.952 60 R CB -0.640 29.649 30.300 -0.018 0.000 0.850 60 R HN 0.472 nan 8.270 nan 0.000 0.433 61 G N 0.827 109.571 108.800 -0.093 0.000 2.408 61 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 61 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 61 G C 1.472 176.246 174.900 -0.209 0.000 1.150 61 G CA 0.499 45.532 45.100 -0.112 0.000 0.776 61 G HN 0.225 nan 8.290 nan 0.000 0.542 62 L N -1.080 119.913 121.223 -0.383 0.000 2.017 62 L HA -0.093 4.248 4.340 0.001 0.000 0.208 62 L C 2.567 178.952 176.870 -0.809 0.000 1.073 62 L CA 1.335 55.724 54.840 -0.751 0.000 0.745 62 L CB -0.464 40.787 42.059 -1.347 0.000 0.894 62 L HN 0.284 nan 8.230 nan 0.000 0.432 63 Y N 0.977 120.862 120.300 -0.691 0.000 2.145 63 Y HA -0.312 4.239 4.550 0.001 0.000 0.286 63 Y C 2.758 178.593 175.900 -0.107 0.000 1.145 63 Y CA 1.971 59.909 58.100 -0.270 0.000 1.148 63 Y CB -0.150 38.312 38.460 0.004 0.000 0.981 63 Y HN 0.011 nan 8.280 nan 0.000 0.507 64 K N 0.389 120.872 120.400 0.138 0.000 2.063 64 K HA -0.283 4.038 4.320 0.001 0.000 0.208 64 K C 2.224 178.817 176.600 -0.013 0.000 1.048 64 K CA 1.948 58.298 56.287 0.105 0.000 0.928 64 K CB -0.350 32.193 32.500 0.072 0.000 0.713 64 K HN 0.533 nan 8.250 nan 0.000 0.442 65 E N 0.110 120.263 120.200 -0.079 0.000 2.077 65 E HA -0.250 4.101 4.350 0.001 0.000 0.193 65 E C 2.120 178.676 176.600 -0.073 0.000 0.989 65 E CA 1.094 57.450 56.400 -0.073 0.000 0.800 65 E CB 0.034 29.672 29.700 -0.103 0.000 0.746 65 E HN 0.122 nan 8.360 nan 0.000 0.452 66 R N 0.085 120.504 120.500 -0.135 0.000 2.090 66 R HA -0.060 4.280 4.340 0.001 0.000 0.228 66 R C 2.208 178.440 176.300 -0.112 0.000 1.110 66 R CA 1.464 57.494 56.100 -0.117 0.000 0.973 66 R CB -0.370 29.850 30.300 -0.133 0.000 0.869 66 R HN 0.249 nan 8.270 nan 0.000 0.440 67 M N -0.432 119.059 119.600 -0.183 0.000 2.117 67 M HA -0.085 4.396 4.480 0.001 0.000 0.262 67 M C 1.618 177.950 176.300 0.054 0.000 1.065 67 M CA 1.958 57.197 55.300 -0.101 0.000 1.114 67 M CB -0.436 32.121 32.600 -0.072 0.000 1.361 67 M HN 0.102 nan 8.290 nan 0.000 0.408 68 T N 0.103 114.687 114.554 0.049 0.000 2.746 68 T HA -0.176 4.175 4.350 0.001 0.000 0.267 68 T C 1.688 176.444 174.700 0.094 0.000 1.039 68 T CA 1.760 63.913 62.100 0.087 0.000 1.142 68 T CB -0.295 68.604 68.868 0.051 0.000 0.866 68 T HN 0.599 nan 8.240 nan 0.000 0.444 69 E N 0.582 120.822 120.200 0.066 0.000 2.028 69 E HA -0.060 4.290 4.350 0.001 0.000 0.191 69 E C 2.116 178.791 176.600 0.125 0.000 0.988 69 E CA 0.850 57.295 56.400 0.076 0.000 0.799 69 E CB -0.134 29.598 29.700 0.052 0.000 0.755 69 E HN 0.408 nan 8.360 nan 0.000 0.447 70 L N -0.179 121.127 121.223 0.139 0.000 2.179 70 L HA -0.107 4.233 4.340 0.001 0.000 0.208 70 L C 2.325 179.419 176.870 0.374 0.000 1.096 70 L CA 0.530 55.488 54.840 0.198 0.000 0.779 70 L CB -0.251 41.888 42.059 0.135 0.000 0.922 70 L HN 0.269 nan 8.230 nan 0.000 0.443 71 Y N 0.507 120.915 120.300 0.180 0.000 2.561 71 Y HA -0.081 4.469 4.550 0.001 0.000 0.291 71 Y C 1.029 176.981 175.900 0.086 0.000 1.141 71 Y CA 0.077 58.299 58.100 0.204 0.000 1.303 71 Y CB -0.231 38.276 38.460 0.079 0.000 1.015 71 Y HN 0.079 nan 8.280 nan 0.000 0.547 72 D N 1.136 121.620 120.400 0.140 0.000 2.551 72 D HA 0.063 4.703 4.640 0.001 0.000 0.223 72 D C -1.166 175.186 176.300 0.088 0.000 1.144 72 D CA 0.115 54.114 54.000 -0.002 0.000 1.025 72 D CB -1.185 39.638 40.800 0.039 0.000 1.085 72 D HN 0.319 nan 8.370 nan 0.000 0.506 73 Y N -0.500 119.761 120.300 -0.065 0.000 2.553 73 Y HA 0.732 5.282 4.550 0.001 0.000 0.347 73 Y C -2.946 172.921 175.900 -0.055 0.000 1.019 73 Y CA -3.334 54.753 58.100 -0.022 0.000 1.032 73 Y CB 0.559 39.037 38.460 0.030 0.000 1.284 73 Y HN -0.089 nan 8.280 nan 0.000 0.466 74 P HA 0.225 nan 4.420 nan 0.000 0.271 74 P C -1.446 175.890 177.300 0.059 0.000 1.226 74 P CA -0.190 62.951 63.100 0.069 0.000 0.765 74 P CB 0.550 32.423 31.700 0.287 0.000 0.835 75 K N 3.315 123.614 120.400 -0.168 0.000 2.483 75 K HA 0.408 4.729 4.320 0.001 0.000 0.256 75 K C -0.946 175.664 176.600 0.016 0.000 0.961 75 K CA -0.377 55.877 56.287 -0.055 0.000 0.873 75 K CB 0.904 33.276 32.500 -0.214 0.000 1.107 75 K HN 0.364 nan 8.250 nan 0.000 0.432 76 Y N 0.524 120.994 120.300 0.284 0.000 2.420 76 Y HA 0.287 4.837 4.550 0.001 0.000 0.334 76 Y C 0.892 176.957 175.900 0.275 0.000 1.094 76 Y CA -0.600 57.684 58.100 0.306 0.000 1.126 76 Y CB 1.862 40.413 38.460 0.153 0.000 1.217 76 Y HN 0.568 nan 8.280 nan 0.000 0.462 77 S N 0.614 116.618 115.700 0.507 0.000 2.693 77 S HA 0.379 4.849 4.470 0.001 0.000 0.276 77 S C -0.159 174.670 174.600 0.382 0.000 1.192 77 S CA -0.943 57.518 58.200 0.435 0.000 0.994 77 S CB 0.658 64.186 63.200 0.548 0.000 1.012 77 S HN 0.722 nan 8.310 nan 0.000 0.550 78 C N 2.234 121.721 119.300 0.313 0.000 2.634 78 C HA 0.177 4.638 4.460 0.001 0.000 0.417 78 C C 0.886 175.933 174.990 0.095 0.000 1.334 78 C CA 0.121 59.253 59.018 0.190 0.000 1.829 78 C CB -1.582 26.288 27.740 0.217 0.000 2.665 78 C HN 0.861 nan 8.230 nan 0.000 0.614 79 H N 1.755 120.469 119.070 -0.593 0.000 2.871 79 H HA 0.421 4.978 4.556 0.001 0.000 0.355 79 H C -0.068 174.998 175.328 -0.436 0.000 1.092 79 H CA 0.792 56.401 56.048 -0.733 0.000 1.420 79 H CB 0.193 29.054 29.762 -1.501 0.000 1.400 79 H HN 0.549 nan 8.280 nan 0.000 0.604 80 F N -0.912 118.982 119.950 -0.093 0.000 2.599 80 F HA 0.549 5.077 4.527 0.001 0.000 0.311 80 F C -0.672 175.138 175.800 0.016 0.000 1.076 80 F CA -1.362 56.639 58.000 0.002 0.000 0.937 80 F CB 1.374 40.391 39.000 0.029 0.000 1.282 80 F HN 0.238 nan 8.300 nan 0.000 0.460 81 K N 2.191 122.646 120.400 0.091 0.000 2.159 81 K HA 0.501 4.821 4.320 0.001 0.000 0.266 81 K C -1.221 175.318 176.600 -0.101 0.000 0.975 81 K CA -0.836 55.296 56.287 -0.258 0.000 0.865 81 K CB 1.006 33.242 32.500 -0.441 0.000 1.087 81 K HN 0.623 nan 8.250 nan 0.000 0.446 82 K N 2.361 122.655 120.400 -0.178 0.000 2.541 82 K HA 0.283 4.603 4.320 0.001 0.000 0.250 82 K C 0.128 176.638 176.600 -0.150 0.000 0.950 82 K CA -0.218 55.938 56.287 -0.218 0.000 0.805 82 K CB 1.587 33.675 32.500 -0.686 0.000 1.166 82 K HN 0.933 nan 8.250 nan 0.000 0.430 83 G N 3.993 112.727 108.800 -0.109 0.000 2.622 83 G HA2 -0.431 3.530 3.960 0.001 0.000 0.307 83 G HA3 -0.431 3.530 3.960 0.001 0.000 0.307 83 G C 0.542 175.368 174.900 -0.123 0.000 1.226 83 G CA 0.918 45.969 45.100 -0.082 0.000 0.997 83 G HN 0.708 nan 8.290 nan 0.000 0.551 84 K N 0.862 121.197 120.400 -0.108 0.000 2.444 84 K HA 0.313 4.633 4.320 0.001 0.000 0.193 84 K C 0.991 177.477 176.600 -0.190 0.000 1.024 84 K CA 0.356 56.570 56.287 -0.123 0.000 1.077 84 K CB 0.266 32.724 32.500 -0.071 0.000 0.833 84 K HN 0.536 nan 8.250 nan 0.000 0.517 85 R N 0.192 120.529 120.500 -0.271 0.000 2.854 85 R HA 0.366 4.707 4.340 0.001 0.000 0.271 85 R C -1.277 174.667 176.300 -0.594 0.000 0.996 85 R CA -0.903 54.956 56.100 -0.401 0.000 0.961 85 R CB 1.047 31.027 30.300 -0.532 0.000 1.182 85 R HN -0.033 nan 8.270 nan 0.000 0.479 86 Y N 0.412 120.387 120.300 -0.541 0.000 2.420 86 Y HA 0.475 5.026 4.550 0.001 0.000 0.334 86 Y C -0.376 174.917 175.900 -1.012 0.000 1.094 86 Y CA -0.393 57.392 58.100 -0.525 0.000 1.126 86 Y CB 1.229 39.563 38.460 -0.210 0.000 1.217 86 Y HN 0.345 nan 8.280 nan 0.000 0.462 87 F N 1.631 121.131 119.950 -0.750 0.000 2.577 87 F HA 0.622 5.150 4.527 0.001 0.000 0.318 87 F C -0.930 174.285 175.800 -0.976 0.000 1.065 87 F CA -1.355 56.022 58.000 -1.039 0.000 0.929 87 F CB 1.818 39.896 39.000 -1.536 0.000 1.237 87 F HN 0.409 nan 8.300 nan 0.000 0.468 88 Y N -1.021 118.918 120.300 -0.602 0.000 2.624 88 Y HA 0.716 5.266 4.550 0.001 0.000 0.334 88 Y C -2.068 173.751 175.900 -0.134 0.000 1.155 88 Y CA -2.384 55.505 58.100 -0.351 0.000 1.046 88 Y CB 0.719 38.904 38.460 -0.459 0.000 1.316 88 Y HN 0.381 nan 8.280 nan 0.000 0.457 89 F N 2.344 122.492 119.950 0.329 0.000 2.397 89 F HA 0.591 5.119 4.527 0.001 0.000 0.331 89 F C -0.588 175.477 175.800 0.442 0.000 1.090 89 F CA -0.456 57.727 58.000 0.305 0.000 1.065 89 F CB 1.392 40.545 39.000 0.255 0.000 1.184 89 F HN 0.588 nan 8.300 nan 0.000 0.499 90 Y N 3.015 123.537 120.300 0.370 0.000 2.442 90 Y HA 0.359 4.910 4.550 0.001 0.000 0.330 90 Y C -1.746 174.190 175.900 0.060 0.000 1.100 90 Y CA -1.622 56.535 58.100 0.096 0.000 1.034 90 Y CB 1.329 39.769 38.460 -0.033 0.000 1.285 90 Y HN 0.596 nan 8.280 nan 0.000 0.440 91 N N 2.947 121.335 118.700 -0.520 0.000 2.407 91 N HA 0.182 4.922 4.740 0.001 0.000 0.277 91 N C 0.583 175.514 175.510 -0.965 0.000 0.995 91 N CA 0.345 53.041 53.050 -0.590 0.000 0.903 91 N CB 2.057 40.342 38.487 -0.337 0.000 1.218 91 N HN 0.860 nan 8.380 nan 0.000 0.487 92 T N 0.315 114.342 114.554 -0.878 0.000 2.929 92 T HA 0.099 4.449 4.350 0.001 0.000 0.271 92 T C 1.164 175.652 174.700 -0.353 0.000 1.085 92 T CA 1.458 63.182 62.100 -0.627 0.000 1.125 92 T CB 0.096 68.779 68.868 -0.309 0.000 0.874 92 T HN 0.652 nan 8.240 nan 0.000 0.494 93 G N 0.696 109.274 108.800 -0.369 0.000 4.205 93 G HA2 0.059 4.019 3.960 0.001 0.000 0.200 93 G HA3 0.059 4.019 3.960 0.001 0.000 0.200 93 G C 0.555 175.242 174.900 -0.356 0.000 1.190 93 G CA -0.059 44.827 45.100 -0.357 0.000 0.861 93 G HN 0.425 nan 8.290 nan 0.000 0.326 94 L N 1.737 122.830 121.223 -0.216 0.000 3.122 94 L HA 0.379 4.719 4.340 0.001 0.000 0.274 94 L C 0.640 177.452 176.870 -0.098 0.000 1.222 94 L CA -0.167 54.592 54.840 -0.135 0.000 1.028 94 L CB 0.853 42.879 42.059 -0.056 0.000 1.386 94 L HN 0.218 nan 8.230 nan 0.000 0.578 95 Q N 0.392 120.112 119.800 -0.134 0.000 2.395 95 Q HA 0.009 4.349 4.340 0.001 0.000 0.271 95 Q C 0.567 176.530 176.000 -0.062 0.000 1.026 95 Q CA -0.175 55.572 55.803 -0.094 0.000 0.900 95 Q CB 0.828 29.496 28.738 -0.116 0.000 1.266 95 Q HN 0.176 nan 8.270 nan 0.000 0.430 96 N N 0.809 119.491 118.700 -0.030 0.000 2.166 96 N HA -0.113 4.628 4.740 0.001 0.000 0.186 96 N C -0.188 175.320 175.510 -0.003 0.000 1.019 96 N CA 1.280 54.327 53.050 -0.004 0.000 0.856 96 N CB 0.340 38.830 38.487 0.004 0.000 0.993 96 N HN 0.483 nan 8.380 nan 0.000 0.426 97 Q N 0.455 120.247 119.800 -0.013 0.000 2.375 97 Q HA 0.240 4.581 4.340 0.001 0.000 0.271 97 Q C -0.337 175.661 176.000 -0.004 0.000 1.074 97 Q CA -0.567 55.236 55.803 0.001 0.000 0.808 97 Q CB 2.733 31.480 28.738 0.016 0.000 1.327 97 Q HN 0.343 nan 8.270 nan 0.000 0.441 98 R N -0.350 120.161 120.500 0.018 0.000 2.694 98 R HA 0.480 4.820 4.340 0.001 0.000 0.268 98 R C -0.445 175.950 176.300 0.157 0.000 1.061 98 R CA -0.383 55.759 56.100 0.069 0.000 1.133 98 R CB 0.206 30.572 30.300 0.110 0.000 1.020 98 R HN 0.201 nan 8.270 nan 0.000 0.475 99 V N 2.812 122.830 119.914 0.174 0.000 2.547 99 V HA 0.236 4.356 4.120 0.001 0.000 0.299 99 V C -0.384 175.753 176.094 0.072 0.000 1.040 99 V CA -1.124 61.214 62.300 0.064 0.000 0.913 99 V CB 1.529 33.288 31.823 -0.108 0.000 0.992 99 V HN 0.598 nan 8.190 nan 0.000 0.449 100 L N 5.213 126.328 121.223 -0.181 0.000 2.265 100 L HA 0.530 4.871 4.340 0.001 0.000 0.288 100 L C -0.984 175.605 176.870 -0.468 0.000 1.058 100 L CA 0.189 54.754 54.840 -0.459 0.000 0.809 100 L CB 0.288 42.041 42.059 -0.509 0.000 1.179 100 L HN 0.521 nan 8.230 nan 0.000 0.429 101 Y N 3.525 123.481 120.300 -0.575 0.000 2.496 101 Y HA 0.691 5.241 4.550 0.001 0.000 0.331 101 Y C -0.095 175.407 175.900 -0.664 0.000 1.140 101 Y CA -0.511 57.222 58.100 -0.612 0.000 1.166 101 Y CB 2.024 39.877 38.460 -1.011 0.000 1.249 101 Y HN 0.406 nan 8.280 nan 0.000 0.479 102 V N 3.206 122.883 119.914 -0.394 0.000 2.735 102 V HA 0.579 4.700 4.120 0.001 0.000 0.310 102 V C -1.510 174.339 176.094 -0.409 0.000 1.061 102 V CA -0.462 61.415 62.300 -0.706 0.000 0.913 102 V CB 1.883 33.198 31.823 -0.846 0.000 1.005 102 V HN 0.896 nan 8.190 nan 0.000 0.428 103 Q N 3.106 122.650 119.800 -0.428 0.000 2.421 103 Q HA 0.540 4.880 4.340 0.001 0.000 0.280 103 Q C -1.113 174.776 176.000 -0.184 0.000 1.085 103 Q CA -0.916 54.771 55.803 -0.193 0.000 0.807 103 Q CB 2.349 31.060 28.738 -0.045 0.000 1.405 103 Q HN 0.562 nan 8.270 nan 0.000 0.419 104 D N 0.760 121.098 120.400 -0.104 0.000 2.349 104 D HA 0.054 4.695 4.640 0.001 0.000 0.215 104 D C 0.051 176.362 176.300 0.018 0.000 1.016 104 D CA 0.924 54.878 54.000 -0.076 0.000 0.870 104 D CB 0.600 41.359 40.800 -0.067 0.000 0.917 104 D HN 0.603 nan 8.370 nan 0.000 0.524 105 S N -1.234 114.503 115.700 0.061 0.000 2.587 105 S HA 0.188 4.658 4.470 0.001 0.000 0.269 105 S C 0.244 174.813 174.600 -0.052 0.000 1.154 105 S CA -0.720 57.542 58.200 0.103 0.000 0.824 105 S CB 1.084 64.305 63.200 0.034 0.000 1.118 105 S HN -0.147 nan 8.310 nan 0.000 0.462 106 L N 1.469 122.540 121.223 -0.253 0.000 2.191 106 L HA 0.123 4.464 4.340 0.001 0.000 0.212 106 L C 2.368 179.122 176.870 -0.193 0.000 1.103 106 L CA 1.867 56.471 54.840 -0.393 0.000 0.769 106 L CB -0.948 40.819 42.059 -0.486 0.000 0.908 106 L HN 0.868 nan 8.230 nan 0.000 0.438 107 E N -0.990 119.136 120.200 -0.124 0.000 2.216 107 E HA 0.033 4.383 4.350 0.001 0.000 0.192 107 E C 1.173 177.724 176.600 -0.082 0.000 0.988 107 E CA 0.428 56.768 56.400 -0.099 0.000 0.834 107 E CB -0.150 29.509 29.700 -0.069 0.000 0.772 107 E HN 0.501 nan 8.360 nan 0.000 0.479 108 G N 1.716 110.478 108.800 -0.064 0.000 2.636 108 G HA2 -0.036 3.924 3.960 0.001 0.000 0.246 108 G HA3 -0.036 3.924 3.960 0.001 0.000 0.246 108 G C -0.387 174.490 174.900 -0.039 0.000 1.216 108 G CA -0.475 44.599 45.100 -0.044 0.000 0.854 108 G HN 0.069 nan 8.290 nan 0.000 0.572 109 E N 0.232 120.413 120.200 -0.030 0.000 2.344 109 E HA 0.419 4.770 4.350 0.001 0.000 0.270 109 E C 0.399 176.999 176.600 -0.000 0.000 1.021 109 E CA -0.546 55.844 56.400 -0.017 0.000 0.887 109 E CB 0.651 30.343 29.700 -0.015 0.000 0.997 109 E HN 0.518 nan 8.360 nan 0.000 0.429 110 A N 4.980 127.820 122.820 0.034 0.000 2.302 110 A HA 0.485 4.805 4.320 0.001 0.000 0.285 110 A C -0.218 177.428 177.584 0.103 0.000 1.105 110 A CA -0.563 51.518 52.037 0.073 0.000 0.816 110 A CB 0.584 19.677 19.000 0.156 0.000 1.067 110 A HN 0.818 nan 8.150 nan 0.000 0.489 111 R N 0.497 121.049 120.500 0.087 0.000 2.837 111 R HA 0.659 5.000 4.340 0.001 0.000 0.271 111 R C -1.603 174.688 176.300 -0.016 0.000 0.993 111 R CA -0.802 55.342 56.100 0.073 0.000 0.931 111 R CB 0.989 31.292 30.300 0.004 0.000 1.206 111 R HN 0.312 nan 8.270 nan 0.000 0.474 112 V N 2.744 122.568 119.914 -0.150 0.000 2.599 112 V HA -0.007 4.114 4.120 0.001 0.000 0.300 112 V C 0.363 176.323 176.094 -0.222 0.000 1.034 112 V CA 0.464 62.508 62.300 -0.426 0.000 1.115 112 V CB 0.278 31.881 31.823 -0.365 0.000 0.934 112 V HN 0.741 nan 8.190 nan 0.000 0.485 113 F N 5.436 125.126 119.950 -0.434 0.000 2.490 113 F HA 0.473 5.001 4.527 0.001 0.000 0.280 113 F C 0.287 175.889 175.800 -0.331 0.000 1.030 113 F CA 0.277 58.083 58.000 -0.323 0.000 1.367 113 F CB 0.624 39.455 39.000 -0.282 0.000 1.131 113 F HN 0.352 nan 8.300 nan 0.000 0.632 114 L N 1.352 122.343 121.223 -0.386 0.000 2.482 114 L HA 0.376 4.716 4.340 0.001 0.000 0.269 114 L C -1.831 174.877 176.870 -0.271 0.000 0.967 114 L CA -0.369 54.222 54.840 -0.415 0.000 0.851 114 L CB 1.223 43.020 42.059 -0.437 0.000 1.242 114 L HN 0.006 nan 8.230 nan 0.000 0.404 115 D N 6.279 126.540 120.400 -0.233 0.000 2.472 115 D HA 0.472 5.112 4.640 0.001 0.000 0.234 115 D C -2.042 174.201 176.300 -0.095 0.000 1.088 115 D CA -2.064 51.840 54.000 -0.161 0.000 0.882 115 D CB 2.017 42.715 40.800 -0.170 0.000 1.037 115 D HN 0.304 nan 8.370 nan 0.000 0.520 116 P HA -0.017 nan 4.420 nan 0.000 0.225 116 P C 0.976 178.268 177.300 -0.013 0.000 1.148 116 P CA 0.449 63.541 63.100 -0.012 0.000 0.779 116 P CB 0.333 32.050 31.700 0.027 0.000 0.780 117 N N 0.260 118.944 118.700 -0.027 0.000 2.309 117 N HA -0.082 4.658 4.740 0.001 0.000 0.182 117 N C 1.608 177.105 175.510 -0.023 0.000 1.018 117 N CA 1.068 54.104 53.050 -0.023 0.000 0.876 117 N CB -0.359 38.109 38.487 -0.031 0.000 0.972 117 N HN 0.343 nan 8.380 nan 0.000 0.434 118 I N -1.907 118.644 120.570 -0.032 0.000 3.564 118 I HA 0.032 4.202 4.170 0.001 0.000 0.294 118 I C 1.304 177.411 176.117 -0.016 0.000 1.289 118 I CA 0.476 61.760 61.300 -0.028 0.000 1.325 118 I CB -0.285 37.692 38.000 -0.039 0.000 1.039 118 I HN -0.065 nan 8.210 nan 0.000 0.474 119 L N 1.300 122.518 121.223 -0.009 0.000 2.509 119 L HA 0.185 4.525 4.340 0.001 0.000 0.222 119 L C 0.536 177.408 176.870 0.003 0.000 1.123 119 L CA 0.256 55.098 54.840 0.004 0.000 0.856 119 L CB -0.275 41.795 42.059 0.019 0.000 0.985 119 L HN 0.549 nan 8.230 nan 0.000 0.456 120 S N -3.310 112.390 115.700 -0.000 0.000 2.560 120 S HA 0.196 4.666 4.470 0.001 0.000 0.283 120 S C -0.331 174.268 174.600 -0.002 0.000 1.141 120 S CA -0.874 57.326 58.200 -0.001 0.000 0.902 120 S CB 1.335 64.534 63.200 -0.001 0.000 1.104 120 S HN -0.079 nan 8.310 nan 0.000 0.454 121 D N 1.571 121.970 120.400 -0.002 0.000 2.224 121 D HA -0.025 4.615 4.640 0.001 0.000 0.205 121 D C 1.099 177.399 176.300 0.001 0.000 0.965 121 D CA 1.691 55.691 54.000 -0.002 0.000 0.852 121 D CB -0.129 40.671 40.800 -0.000 0.000 0.947 121 D HN 0.849 nan 8.370 nan 0.000 0.494 122 D N -0.980 119.421 120.400 0.002 0.000 2.328 122 D HA 0.136 4.777 4.640 0.001 0.000 0.221 122 D C 1.398 177.702 176.300 0.006 0.000 1.072 122 D CA 0.436 54.440 54.000 0.006 0.000 0.850 122 D CB -0.294 40.510 40.800 0.007 0.000 0.922 122 D HN 0.118 nan 8.370 nan 0.000 0.516 123 G N 0.740 109.542 108.800 0.004 0.000 2.179 123 G HA2 -0.325 3.635 3.960 0.001 0.000 0.257 123 G HA3 -0.325 3.635 3.960 0.001 0.000 0.257 123 G C 0.892 175.797 174.900 0.008 0.000 1.010 123 G CA 0.906 46.010 45.100 0.006 0.000 0.736 123 G HN 0.610 nan 8.290 nan 0.000 0.513 124 T N -2.748 111.806 114.554 -0.000 0.000 3.188 124 T HA 0.510 4.860 4.350 0.001 0.000 0.250 124 T C 0.568 175.264 174.700 -0.006 0.000 1.077 124 T CA 0.371 62.466 62.100 -0.009 0.000 0.967 124 T CB 0.917 69.765 68.868 -0.033 0.000 1.006 124 T HN 0.578 nan 8.240 nan 0.000 0.552 125 V N 1.788 121.706 119.914 0.008 0.000 2.370 125 V HA 0.802 4.922 4.120 0.001 0.000 0.283 125 V C 0.121 176.238 176.094 0.039 0.000 1.023 125 V CA -0.915 61.399 62.300 0.023 0.000 0.857 125 V CB 0.797 32.636 31.823 0.026 0.000 0.985 125 V HN 0.652 nan 8.190 nan 0.000 0.443 126 A N 4.462 127.314 122.820 0.053 0.000 2.454 126 A HA 0.843 5.164 4.320 0.001 0.000 0.302 126 A C -0.958 176.685 177.584 0.099 0.000 1.079 126 A CA -0.783 51.293 52.037 0.066 0.000 0.731 126 A CB 1.505 20.537 19.000 0.053 0.000 1.299 126 A HN 0.809 nan 8.150 nan 0.000 0.413 127 L N 1.172 122.469 121.223 0.123 0.000 2.499 127 L HA 0.413 4.753 4.340 0.001 0.000 0.273 127 L C 0.612 177.569 176.870 0.146 0.000 1.195 127 L CA 0.952 55.900 54.840 0.179 0.000 0.882 127 L CB 0.138 42.331 42.059 0.224 0.000 1.133 127 L HN 0.688 nan 8.230 nan 0.000 0.483 128 R N 4.327 124.918 120.500 0.151 0.000 2.721 128 R HA 0.539 4.879 4.340 0.001 0.000 0.272 128 R C -0.619 175.745 176.300 0.106 0.000 1.721 128 R CA 0.184 56.349 56.100 0.108 0.000 1.325 128 R CB 0.372 30.715 30.300 0.071 0.000 1.271 128 R HN 1.048 nan 8.270 nan 0.000 0.556 129 G N 2.774 111.654 108.800 0.133 0.000 2.721 129 G HA2 -0.200 3.761 3.960 0.001 0.000 0.686 129 G HA3 -0.200 3.761 3.960 0.001 0.000 0.686 129 G C -1.458 173.539 174.900 0.161 0.000 1.236 129 G CA -0.268 44.866 45.100 0.056 0.000 0.786 129 G HN 0.704 nan 8.290 nan 0.000 0.616 130 Y N -2.422 117.908 120.300 0.049 0.000 2.677 130 Y HA 0.893 5.443 4.550 0.001 0.000 0.334 130 Y C -0.264 175.650 175.900 0.024 0.000 1.196 130 Y CA -1.059 57.011 58.100 -0.050 0.000 1.059 130 Y CB 0.912 39.391 38.460 0.031 0.000 1.315 130 Y HN 2.229 nan 8.280 nan 0.000 0.455 131 A N 1.803 124.704 122.820 0.134 0.000 2.488 131 A HA 0.718 5.039 4.320 0.001 0.000 0.295 131 A C -2.143 175.686 177.584 0.409 0.000 1.045 131 A CA -0.633 51.603 52.037 0.333 0.000 0.703 131 A CB 0.634 19.859 19.000 0.375 0.000 1.271 131 A HN 0.593 nan 8.150 nan 0.000 0.400 132 F N 1.893 122.078 119.950 0.392 0.000 2.375 132 F HA 0.478 5.005 4.527 0.001 0.000 0.333 132 F C 1.565 177.220 175.800 -0.242 0.000 1.104 132 F CA 0.426 58.527 58.000 0.167 0.000 1.149 132 F CB 1.661 40.730 39.000 0.115 0.000 1.190 132 F HN 0.680 nan 8.300 nan 0.000 0.533 133 S N 0.818 116.115 115.700 -0.671 0.000 2.569 133 S HA -0.021 4.450 4.470 0.001 0.000 0.274 133 S C 1.164 175.654 174.600 -0.183 0.000 1.353 133 S CA -0.427 57.280 58.200 -0.822 0.000 1.023 133 S CB 0.887 63.548 63.200 -0.898 0.000 0.876 133 S HN 0.740 nan 8.310 nan 0.000 0.540 134 E N 1.305 121.432 120.200 -0.121 0.000 2.130 134 E HA -0.226 4.124 4.350 0.001 0.000 0.196 134 E C 1.240 177.786 176.600 -0.090 0.000 0.998 134 E CA 2.035 58.337 56.400 -0.163 0.000 0.806 134 E CB -0.403 29.027 29.700 -0.450 0.000 0.738 134 E HN 0.883 nan 8.360 nan 0.000 0.459 135 D N -1.493 118.876 120.400 -0.051 0.000 2.340 135 D HA 0.073 4.713 4.640 0.001 0.000 0.220 135 D C 1.324 177.622 176.300 -0.002 0.000 1.039 135 D CA 0.797 54.789 54.000 -0.013 0.000 0.866 135 D CB -0.234 40.579 40.800 0.022 0.000 0.913 135 D HN 0.308 nan 8.370 nan 0.000 0.523 136 G N 0.458 109.264 108.800 0.009 0.000 2.162 136 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 136 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 136 G C 0.898 175.864 174.900 0.110 0.000 0.976 136 G CA 0.412 45.547 45.100 0.059 0.000 0.655 136 G HN 0.380 nan 8.290 nan 0.000 0.533 137 E N -1.211 119.025 120.200 0.059 0.000 2.400 137 E HA 0.214 4.565 4.350 0.001 0.000 0.195 137 E C 0.263 176.711 176.600 -0.253 0.000 1.012 137 E CA 0.505 56.883 56.400 -0.037 0.000 0.875 137 E CB 0.307 30.005 29.700 -0.003 0.000 0.859 137 E HN 0.642 nan 8.360 nan 0.000 0.498 138 Y N -0.751 119.545 120.300 -0.006 0.000 2.570 138 Y HA 0.463 5.014 4.550 0.001 0.000 0.345 138 Y C -0.834 175.104 175.900 0.062 0.000 1.014 138 Y CA -1.302 56.807 58.100 0.015 0.000 1.063 138 Y CB 1.799 40.149 38.460 -0.185 0.000 1.272 138 Y HN -0.201 nan 8.280 nan 0.000 0.477 139 F N 1.577 121.678 119.950 0.252 0.000 2.588 139 F HA 0.820 5.347 4.527 0.001 0.000 0.318 139 F C -1.424 174.557 175.800 0.301 0.000 1.155 139 F CA -0.842 57.188 58.000 0.050 0.000 0.967 139 F CB 1.033 39.932 39.000 -0.167 0.000 1.236 139 F HN 0.526 nan 8.300 nan 0.000 0.455 140 A N 5.249 127.887 122.820 -0.303 0.000 2.337 140 A HA 0.821 5.141 4.320 0.001 0.000 0.329 140 A C -2.048 175.030 177.584 -0.844 0.000 1.146 140 A CA -0.486 51.099 52.037 -0.753 0.000 0.800 140 A CB 0.786 19.364 19.000 -0.703 0.000 1.220 140 A HN 1.026 nan 8.150 nan 0.000 0.472 141 Y N -0.659 119.143 120.300 -0.831 0.000 2.544 141 Y HA 0.731 5.281 4.550 0.001 0.000 0.342 141 Y C 0.077 175.807 175.900 -0.284 0.000 1.062 141 Y CA -1.128 56.672 58.100 -0.501 0.000 1.023 141 Y CB 0.770 38.982 38.460 -0.414 0.000 1.308 141 Y HN 0.845 nan 8.280 nan 0.000 0.457 142 G N 2.954 111.715 108.800 -0.065 0.000 2.377 142 G HA2 0.602 4.562 3.960 0.001 0.000 0.299 142 G HA3 0.602 4.562 3.960 0.001 0.000 0.299 142 G C -1.443 173.490 174.900 0.055 0.000 1.150 142 G CA -0.992 44.061 45.100 -0.080 0.000 0.847 142 G HN 0.733 nan 8.290 nan 0.000 0.501 143 L N 1.299 122.524 121.223 0.004 0.000 2.341 143 L HA 0.478 4.818 4.340 0.001 0.000 0.278 143 L C 0.029 176.930 176.870 0.051 0.000 1.005 143 L CA -0.649 54.232 54.840 0.069 0.000 0.818 143 L CB 2.242 44.341 42.059 0.067 0.000 1.259 143 L HN 0.403 nan 8.230 nan 0.000 0.418 144 S N 1.574 117.313 115.700 0.065 0.000 2.501 144 S HA 0.774 5.244 4.470 0.001 0.000 0.301 144 S C -0.296 174.334 174.600 0.050 0.000 1.096 144 S CA -0.599 57.641 58.200 0.066 0.000 1.063 144 S CB 1.959 65.198 63.200 0.065 0.000 1.042 144 S HN 0.663 nan 8.310 nan 0.000 0.494 145 A N 1.508 124.356 122.820 0.046 0.000 2.317 145 A HA 0.725 5.045 4.320 0.001 0.000 0.327 145 A C 0.613 178.171 177.584 -0.044 0.000 1.178 145 A CA -0.578 51.462 52.037 0.004 0.000 0.817 145 A CB 0.239 19.239 19.000 -0.000 0.000 1.189 145 A HN 1.159 nan 8.150 nan 0.000 0.489 146 S N 0.714 116.352 115.700 -0.103 0.000 3.561 146 S HA -0.162 4.309 4.470 0.001 0.000 0.318 146 S C 1.386 175.923 174.600 -0.105 0.000 1.181 146 S CA 1.779 59.844 58.200 -0.226 0.000 0.916 146 S CB -1.584 61.210 63.200 -0.677 0.000 0.966 146 S HN 2.816 nan 8.310 nan 0.000 0.550 147 G N -0.001 108.796 108.800 -0.005 0.000 2.184 147 G HA2 -0.328 3.633 3.960 0.001 0.000 0.264 147 G HA3 -0.328 3.633 3.960 0.001 0.000 0.264 147 G C 0.169 175.128 174.900 0.098 0.000 0.975 147 G CA 0.824 45.958 45.100 0.056 0.000 0.642 147 G HN 1.525 nan 8.290 nan 0.000 0.536 148 S N -0.108 115.661 115.700 0.115 0.000 2.568 148 S HA 0.324 4.795 4.470 0.001 0.000 0.282 148 S C 1.381 176.016 174.600 0.059 0.000 1.338 148 S CA 0.481 58.767 58.200 0.144 0.000 1.045 148 S CB 0.537 63.890 63.200 0.254 0.000 0.873 148 S HN 0.212 nan 8.310 nan 0.000 0.516 149 D N 2.420 122.785 120.400 -0.058 0.000 2.310 149 D HA -0.007 4.633 4.640 0.001 0.000 0.212 149 D C -0.003 176.127 176.300 -0.283 0.000 0.965 149 D CA 0.406 54.271 54.000 -0.226 0.000 0.879 149 D CB 0.001 40.534 40.800 -0.445 0.000 0.921 149 D HN 0.605 nan 8.370 nan 0.000 0.510 150 W N 0.659 121.893 121.300 -0.111 0.000 2.193 150 W HA 0.177 4.837 4.660 0.001 0.000 0.338 150 W C 0.286 176.767 176.519 -0.062 0.000 1.310 150 W CA -0.376 56.914 57.345 -0.093 0.000 1.243 150 W CB 0.708 30.141 29.460 -0.045 0.000 1.165 150 W HN -0.379 nan 8.180 nan 0.000 0.566 151 V N 2.663 122.728 119.914 0.252 0.000 2.735 151 V HA 0.427 4.548 4.120 0.001 0.000 0.310 151 V C -0.179 175.960 176.094 0.075 0.000 1.061 151 V CA -0.913 61.454 62.300 0.111 0.000 0.913 151 V CB 2.234 34.090 31.823 0.055 0.000 1.005 151 V HN 0.422 nan 8.190 nan 0.000 0.428 152 T N 5.375 119.924 114.554 -0.009 0.000 2.771 152 T HA 0.614 4.964 4.350 0.001 0.000 0.281 152 T C -0.242 174.342 174.700 -0.194 0.000 0.982 152 T CA -0.117 61.930 62.100 -0.087 0.000 0.978 152 T CB 0.765 69.581 68.868 -0.086 0.000 0.930 152 T HN 0.370 nan 8.240 nan 0.000 0.447 153 I N 3.799 124.207 120.570 -0.270 0.000 2.342 153 I HA 0.391 4.562 4.170 0.001 0.000 0.291 153 I C 0.519 176.320 176.117 -0.527 0.000 1.010 153 I CA -0.507 60.517 61.300 -0.460 0.000 1.308 153 I CB 0.894 38.599 38.000 -0.490 0.000 1.400 153 I HN 0.362 nan 8.210 nan 0.000 0.488 154 K N 5.195 125.073 120.400 -0.872 0.000 2.352 154 K HA 0.713 5.034 4.320 0.001 0.000 0.240 154 K C -1.416 174.678 176.600 -0.844 0.000 1.017 154 K CA -0.749 55.113 56.287 -0.708 0.000 0.851 154 K CB 2.254 34.325 32.500 -0.716 0.000 1.261 154 K HN 0.213 nan 8.250 nan 0.000 0.451 155 F N 0.692 120.553 119.950 -0.147 0.000 2.576 155 F HA 0.538 5.065 4.527 0.001 0.000 0.313 155 F C -0.319 175.670 175.800 0.315 0.000 1.078 155 F CA -0.767 57.316 58.000 0.140 0.000 0.921 155 F CB 1.897 40.992 39.000 0.158 0.000 1.232 155 F HN 0.175 nan 8.300 nan 0.000 0.459 156 M N 1.676 121.634 119.600 0.597 0.000 2.550 156 M HA 0.368 4.848 4.480 0.001 0.000 0.292 156 M C -0.971 175.566 176.300 0.395 0.000 1.221 156 M CA -0.858 54.700 55.300 0.430 0.000 0.873 156 M CB 2.879 35.660 32.600 0.301 0.000 1.727 156 M HN 0.458 nan 8.290 nan 0.000 0.459 157 K N 1.133 121.651 120.400 0.198 0.000 2.258 157 K HA 0.359 4.680 4.320 0.001 0.000 0.284 157 K C 0.245 176.846 176.600 0.002 0.000 1.051 157 K CA -0.320 55.888 56.287 -0.132 0.000 0.923 157 K CB 1.220 33.634 32.500 -0.145 0.000 1.046 157 K HN 0.605 nan 8.250 nan 0.000 0.474 158 V N 2.383 122.289 119.914 -0.012 0.000 2.307 158 V HA -0.172 3.948 4.120 0.001 0.000 0.245 158 V C 0.780 176.978 176.094 0.173 0.000 1.045 158 V CA 1.406 63.851 62.300 0.242 0.000 1.024 158 V CB -0.415 31.509 31.823 0.169 0.000 0.651 158 V HN 0.874 nan 8.190 nan 0.000 0.449 159 D N 0.111 120.522 120.400 0.018 0.000 2.363 159 D HA 0.302 4.943 4.640 0.001 0.000 0.263 159 D C 1.162 177.477 176.300 0.025 0.000 1.258 159 D CA 1.183 55.189 54.000 0.011 0.000 0.907 159 D CB 0.472 41.258 40.800 -0.024 0.000 1.107 159 D HN 0.442 nan 8.370 nan 0.000 0.495 160 G N 3.299 112.123 108.800 0.040 0.000 2.176 160 G HA2 -0.199 3.761 3.960 0.001 0.000 0.253 160 G HA3 -0.199 3.761 3.960 0.001 0.000 0.253 160 G C 0.747 175.660 174.900 0.021 0.000 0.979 160 G CA 0.424 45.539 45.100 0.025 0.000 0.641 160 G HN 1.645 nan 8.290 nan 0.000 0.530 161 A N -1.138 121.721 122.820 0.065 0.000 2.560 161 A HA -0.088 4.233 4.320 0.001 0.000 0.299 161 A C 0.754 178.291 177.584 -0.078 0.000 1.484 161 A CA 2.102 54.104 52.037 -0.059 0.000 0.749 161 A CB -1.139 17.733 19.000 -0.213 0.000 1.072 161 A HN 0.968 nan 8.150 nan 0.000 0.426 162 K N 1.123 121.524 120.400 0.001 0.000 2.258 162 K HA 0.292 4.613 4.320 0.001 0.000 0.284 162 K C 0.293 176.935 176.600 0.070 0.000 1.051 162 K CA -0.249 56.054 56.287 0.028 0.000 0.923 162 K CB 0.777 33.306 32.500 0.049 0.000 1.046 162 K HN 0.705 nan 8.250 nan 0.000 0.474 163 E N 2.715 122.952 120.200 0.063 0.000 2.384 163 E HA 0.089 4.439 4.350 0.001 0.000 0.266 163 E C -0.128 176.555 176.600 0.138 0.000 1.012 163 E CA 0.028 56.495 56.400 0.112 0.000 0.901 163 E CB 0.602 30.350 29.700 0.079 0.000 0.967 163 E HN 0.267 nan 8.360 nan 0.000 0.435 164 L N 4.233 125.573 121.223 0.195 0.000 2.332 164 L HA 0.308 4.649 4.340 0.001 0.000 0.269 164 L C -1.526 175.420 176.870 0.127 0.000 1.016 164 L CA -1.930 53.017 54.840 0.178 0.000 0.809 164 L CB 0.991 43.203 42.059 0.256 0.000 1.280 164 L HN 0.438 nan 8.230 nan 0.000 0.447 165 P HA 0.020 nan 4.420 nan 0.000 0.231 165 P C -0.569 176.742 177.300 0.018 0.000 1.168 165 P CA 0.259 63.382 63.100 0.039 0.000 0.779 165 P CB -0.010 31.701 31.700 0.018 0.000 0.844 166 D N -0.094 120.311 120.400 0.009 0.000 2.458 166 D HA 0.213 4.853 4.640 0.001 0.000 0.243 166 D C -0.240 176.059 176.300 -0.002 0.000 1.146 166 D CA 0.528 54.483 54.000 -0.074 0.000 0.877 166 D CB 0.499 41.089 40.800 -0.350 0.000 1.176 166 D HN -0.147 nan 8.370 nan 0.000 0.461 167 V N 3.310 123.155 119.914 -0.114 0.000 2.668 167 V HA 0.324 4.444 4.120 0.001 0.000 0.304 167 V C -0.513 175.445 176.094 -0.228 0.000 1.071 167 V CA -0.834 61.392 62.300 -0.123 0.000 0.894 167 V CB 1.607 33.373 31.823 -0.096 0.000 1.008 167 V HN 0.372 nan 8.190 nan 0.000 0.425 168 L N 4.402 125.465 121.223 -0.268 0.000 2.313 168 L HA 0.702 5.042 4.340 0.001 0.000 0.283 168 L C -0.130 176.621 176.870 -0.197 0.000 1.013 168 L CA -0.517 54.120 54.840 -0.337 0.000 0.816 168 L CB 1.724 43.403 42.059 -0.633 0.000 1.236 168 L HN 0.527 nan 8.230 nan 0.000 0.419 169 E N 2.360 122.486 120.200 -0.123 0.000 2.264 169 E HA 0.485 4.836 4.350 0.001 0.000 0.260 169 E C -0.163 176.454 176.600 0.028 0.000 0.961 169 E CA -0.861 55.502 56.400 -0.062 0.000 0.834 169 E CB 1.576 31.222 29.700 -0.091 0.000 1.230 169 E HN 0.397 nan 8.360 nan 0.000 0.412 170 R N -1.281 119.244 120.500 0.042 0.000 3.776 170 R HA -0.120 4.221 4.340 0.001 0.000 0.312 170 R C -0.495 176.101 176.300 0.494 0.000 1.181 170 R CA 0.182 56.392 56.100 0.184 0.000 0.836 170 R CB -2.119 28.264 30.300 0.139 0.000 1.324 170 R HN 0.167 nan 8.270 nan 0.000 0.501 171 V N 1.175 121.337 119.914 0.414 0.000 2.432 171 V HA 0.408 4.528 4.120 0.001 0.000 0.275 171 V C 0.453 176.756 176.094 0.350 0.000 1.043 171 V CA 0.060 62.589 62.300 0.382 0.000 0.925 171 V CB 1.647 33.608 31.823 0.230 0.000 0.985 171 V HN 0.154 nan 8.190 nan 0.000 0.466 172 K N 3.699 124.245 120.400 0.244 0.000 2.542 172 K HA 0.455 4.775 4.320 0.001 0.000 0.259 172 K C -1.013 175.576 176.600 -0.019 0.000 0.932 172 K CA -0.799 55.381 56.287 -0.179 0.000 0.820 172 K CB 1.280 33.371 32.500 -0.681 0.000 1.345 172 K HN 0.327 nan 8.250 nan 0.000 0.432 173 F N -0.336 119.681 119.950 0.112 0.000 3.004 173 F HA -0.225 4.303 4.527 0.001 0.000 0.264 173 F C 0.110 175.979 175.800 0.115 0.000 0.979 173 F CA 0.771 58.833 58.000 0.103 0.000 0.896 173 F CB -1.955 37.114 39.000 0.116 0.000 0.813 173 F HN 0.299 nan 8.300 nan 0.000 0.804 174 S N -0.598 115.230 115.700 0.215 0.000 2.509 174 S HA 0.726 5.196 4.470 0.001 0.000 0.297 174 S C 0.209 174.905 174.600 0.160 0.000 1.118 174 S CA -0.539 57.777 58.200 0.193 0.000 1.074 174 S CB 1.020 64.347 63.200 0.212 0.000 1.038 174 S HN 0.363 nan 8.310 nan 0.000 0.498 175 C N 4.583 123.979 119.300 0.161 0.000 2.422 175 C HA 0.639 5.100 4.460 0.001 0.000 0.364 175 C C 0.063 175.161 174.990 0.181 0.000 1.251 175 C CA -0.683 58.423 59.018 0.147 0.000 2.441 175 C CB 0.234 28.058 27.740 0.140 0.000 2.393 175 C HN 0.813 nan 8.230 nan 0.000 0.606 176 M N 2.037 121.737 119.600 0.166 0.000 2.267 176 M HA 0.573 5.054 4.480 0.001 0.000 0.289 176 M C -0.779 175.668 176.300 0.245 0.000 1.043 176 M CA -0.066 55.342 55.300 0.181 0.000 0.928 176 M CB 1.873 34.522 32.600 0.082 0.000 1.613 176 M HN 0.743 nan 8.290 nan 0.000 0.450 177 A N 2.907 125.917 122.820 0.317 0.000 2.466 177 A HA 0.665 4.986 4.320 0.001 0.000 0.284 177 A C -2.134 175.756 177.584 0.510 0.000 1.049 177 A CA -0.554 51.747 52.037 0.440 0.000 0.760 177 A CB 0.705 19.972 19.000 0.446 0.000 1.274 177 A HN 0.880 nan 8.150 nan 0.000 0.412 178 W N 2.255 123.785 121.300 0.384 0.000 2.218 178 W HA 0.451 5.111 4.660 0.001 0.000 0.326 178 W C 1.172 177.965 176.519 0.456 0.000 1.276 178 W CA 0.587 58.153 57.345 0.368 0.000 1.210 178 W CB 1.105 30.743 29.460 0.297 0.000 1.143 178 W HN 0.754 nan 8.180 nan 0.000 0.563 179 T N -1.134 113.816 114.554 0.660 0.000 2.900 179 T HA 0.029 4.379 4.350 0.001 0.000 0.307 179 T C 0.747 175.799 174.700 0.586 0.000 1.065 179 T CA -0.202 62.241 62.100 0.571 0.000 1.105 179 T CB 0.607 69.721 68.868 0.410 0.000 0.979 179 T HN 0.581 nan 8.240 nan 0.000 0.544 180 H N 0.487 119.727 119.070 0.283 0.000 2.559 180 H HA -0.038 4.518 4.556 0.001 0.000 0.273 180 H C 1.430 176.864 175.328 0.178 0.000 1.000 180 H CA 0.695 56.876 56.048 0.221 0.000 1.195 180 H CB 0.248 30.117 29.762 0.179 0.000 1.368 180 H HN 0.773 nan 8.280 nan 0.000 0.592 181 D N -0.172 120.404 120.400 0.293 0.000 2.363 181 D HA -0.024 4.616 4.640 0.001 0.000 0.220 181 D C 1.750 178.165 176.300 0.190 0.000 0.994 181 D CA 0.769 54.888 54.000 0.199 0.000 0.890 181 D CB -0.328 40.566 40.800 0.156 0.000 0.906 181 D HN 0.362 nan 8.370 nan 0.000 0.530 182 G N 1.090 110.044 108.800 0.257 0.000 2.155 182 G HA2 -0.438 3.522 3.960 0.001 0.000 0.257 182 G HA3 -0.438 3.522 3.960 0.001 0.000 0.257 182 G C 0.936 175.983 174.900 0.245 0.000 0.983 182 G CA 0.698 45.943 45.100 0.241 0.000 0.676 182 G HN 0.553 nan 8.290 nan 0.000 0.528 183 K N -0.007 120.533 120.400 0.233 0.000 2.167 183 K HA 0.376 4.697 4.320 0.001 0.000 0.203 183 K C 1.387 177.995 176.600 0.014 0.000 1.052 183 K CA 1.559 57.921 56.287 0.125 0.000 0.956 183 K CB -0.076 32.514 32.500 0.150 0.000 0.735 183 K HN 1.046 nan 8.250 nan 0.000 0.451 184 G N -0.205 108.623 108.800 0.046 0.000 2.428 184 G HA2 0.351 4.312 3.960 0.001 0.000 0.304 184 G HA3 0.351 4.312 3.960 0.001 0.000 0.304 184 G C -1.980 172.608 174.900 -0.519 0.000 1.303 184 G CA -0.753 44.038 45.100 -0.516 0.000 0.825 184 G HN 0.082 nan 8.290 nan 0.000 0.484 185 M N 0.211 119.285 119.600 -0.876 0.000 2.324 185 M HA 0.639 5.119 4.480 0.001 0.000 0.288 185 M C -1.542 174.650 176.300 -0.181 0.000 1.097 185 M CA -0.691 54.302 55.300 -0.512 0.000 0.928 185 M CB 1.710 33.783 32.600 -0.878 0.000 1.648 185 M HN 0.373 nan 8.290 nan 0.000 0.460 186 F N 4.574 124.691 119.950 0.277 0.000 2.418 186 F HA 0.481 5.008 4.527 0.001 0.000 0.341 186 F C -0.121 175.882 175.800 0.339 0.000 1.120 186 F CA 0.512 58.725 58.000 0.355 0.000 1.232 186 F CB 0.515 39.709 39.000 0.324 0.000 1.175 186 F HN 0.525 nan 8.300 nan 0.000 0.569 187 Y N -0.734 119.781 120.300 0.359 0.000 2.713 187 Y HA 0.542 5.092 4.550 0.001 0.000 0.335 187 Y C -1.970 174.089 175.900 0.265 0.000 1.222 187 Y CA -2.088 56.151 58.100 0.233 0.000 1.061 187 Y CB 0.721 39.256 38.460 0.125 0.000 1.314 187 Y HN 0.528 nan 8.280 nan 0.000 0.453 188 N N 0.706 119.485 118.700 0.132 0.000 2.417 188 N HA 0.860 5.601 4.740 0.001 0.000 0.300 188 N C -1.352 174.262 175.510 0.172 0.000 1.102 188 N CA -0.509 52.569 53.050 0.046 0.000 0.886 188 N CB 2.165 40.698 38.487 0.078 0.000 1.203 188 N HN 0.971 nan 8.380 nan 0.000 0.496 189 A N 0.893 123.805 122.820 0.153 0.000 2.594 189 A HA 0.633 4.953 4.320 0.001 0.000 0.291 189 A C -1.886 175.779 177.584 0.135 0.000 1.105 189 A CA -0.531 51.660 52.037 0.257 0.000 0.694 189 A CB 0.704 19.883 19.000 0.299 0.000 1.291 189 A HN 0.603 nan 8.150 nan 0.000 0.410 190 Y N 0.534 121.036 120.300 0.338 0.000 2.419 190 Y HA 0.539 5.090 4.550 0.001 0.000 0.328 190 Y C -1.913 174.142 175.900 0.258 0.000 1.162 190 Y CA -1.851 56.442 58.100 0.323 0.000 1.174 190 Y CB 1.023 39.718 38.460 0.393 0.000 1.228 190 Y HN 0.460 nan 8.280 nan 0.000 0.473 191 P HA 0.034 nan 4.420 nan 0.000 0.272 191 P C -0.930 176.489 177.300 0.199 0.000 1.230 191 P CA -0.485 62.756 63.100 0.236 0.000 0.788 191 P CB 0.524 32.336 31.700 0.188 0.000 0.949 192 Q N 1.189 121.054 119.800 0.109 0.000 2.333 192 Q HA -0.034 4.306 4.340 0.001 0.000 0.299 192 Q C 0.292 176.334 176.000 0.070 0.000 1.067 192 Q CA 0.989 56.826 55.803 0.057 0.000 0.943 192 Q CB 0.174 28.926 28.738 0.022 0.000 1.233 192 Q HN 0.536 nan 8.270 nan 0.000 0.401 193 Q N 0.748 120.576 119.800 0.047 0.000 2.421 193 Q HA 0.441 4.781 4.340 0.001 0.000 0.280 193 Q C -1.169 174.845 176.000 0.024 0.000 1.085 193 Q CA -0.982 54.856 55.803 0.058 0.000 0.807 193 Q CB 1.594 30.393 28.738 0.102 0.000 1.405 193 Q HN 0.281 nan 8.270 nan 0.000 0.419 194 D N 0.769 121.186 120.400 0.029 0.000 2.382 194 D HA 0.419 5.059 4.640 0.001 0.000 0.240 194 D C 0.838 177.147 176.300 0.015 0.000 1.146 194 D CA 1.958 55.967 54.000 0.016 0.000 0.897 194 D CB 0.857 41.669 40.800 0.020 0.000 1.197 194 D HN 0.924 nan 8.370 nan 0.000 0.432 195 G N 1.159 109.961 108.800 0.003 0.000 2.642 195 G HA2 -0.237 3.724 3.960 0.001 0.000 0.231 195 G HA3 -0.237 3.724 3.960 0.001 0.000 0.231 195 G C -0.379 174.512 174.900 -0.015 0.000 1.338 195 G CA -0.496 44.605 45.100 0.002 0.000 0.883 195 G HN 0.529 nan 8.290 nan 0.000 0.570 196 K N -0.293 120.101 120.400 -0.009 0.000 2.154 196 K HA 0.575 4.896 4.320 0.001 0.000 0.264 196 K C -0.088 176.485 176.600 -0.046 0.000 1.008 196 K CA 0.143 56.411 56.287 -0.032 0.000 0.937 196 K CB 1.040 33.533 32.500 -0.011 0.000 1.002 196 K HN 0.358 nan 8.250 nan 0.000 0.469 197 S N 1.999 117.599 115.700 -0.167 0.000 2.204 197 S HA 0.049 4.519 4.470 0.001 0.000 0.178 197 S C -0.719 173.612 174.600 -0.449 0.000 1.493 197 S CA -0.627 57.335 58.200 -0.396 0.000 1.266 197 S CB 0.025 62.689 63.200 -0.894 0.000 1.232 197 S HN 0.728 nan 8.310 nan 0.000 0.406 198 D N -0.318 120.071 120.400 -0.017 0.000 2.520 198 D HA 0.280 4.921 4.640 0.001 0.000 0.223 198 D C 1.221 177.730 176.300 0.347 0.000 1.186 198 D CA 0.429 54.502 54.000 0.122 0.000 0.821 198 D CB 0.020 40.878 40.800 0.097 0.000 1.072 198 D HN 0.501 nan 8.370 nan 0.000 0.518 199 G N 0.425 109.455 108.800 0.383 0.000 2.213 199 G HA2 -0.317 3.643 3.960 0.001 0.000 0.226 199 G HA3 -0.317 3.643 3.960 0.001 0.000 0.226 199 G C 1.168 176.114 174.900 0.077 0.000 0.992 199 G CA 0.652 45.928 45.100 0.293 0.000 0.632 199 G HN 0.606 nan 8.290 nan 0.000 0.511 200 T N -0.577 113.949 114.554 -0.047 0.000 3.065 200 T HA 0.365 4.715 4.350 0.001 0.000 0.252 200 T C 0.979 175.655 174.700 -0.039 0.000 1.099 200 T CA 1.015 63.024 62.100 -0.152 0.000 1.063 200 T CB 0.225 68.934 68.868 -0.266 0.000 0.948 200 T HN 0.799 nan 8.240 nan 0.000 0.506 201 E N 2.394 122.616 120.200 0.037 0.000 2.371 201 E HA 0.130 4.480 4.350 0.001 0.000 0.257 201 E C 0.384 177.023 176.600 0.066 0.000 1.134 201 E CA 0.073 56.508 56.400 0.058 0.000 0.919 201 E CB 1.110 30.871 29.700 0.101 0.000 1.025 201 E HN 0.303 nan 8.360 nan 0.000 0.438 202 T N -2.087 112.508 114.554 0.068 0.000 3.044 202 T HA 0.159 4.509 4.350 0.001 0.000 0.260 202 T C 0.152 174.960 174.700 0.180 0.000 1.019 202 T CA -0.459 61.699 62.100 0.097 0.000 0.921 202 T CB -0.123 68.751 68.868 0.011 0.000 1.053 202 T HN 0.274 nan 8.240 nan 0.000 0.533 203 S N 2.812 118.597 115.700 0.142 0.000 2.546 203 S HA 0.219 4.689 4.470 0.001 0.000 0.290 203 S C 0.534 175.202 174.600 0.112 0.000 1.290 203 S CA -0.198 58.080 58.200 0.130 0.000 1.069 203 S CB 0.750 64.026 63.200 0.127 0.000 0.846 203 S HN 0.554 nan 8.310 nan 0.000 0.495 204 T N 2.875 117.482 114.554 0.089 0.000 2.930 204 T HA 0.095 4.445 4.350 0.001 0.000 0.306 204 T C -0.076 174.674 174.700 0.084 0.000 1.045 204 T CA -0.319 61.830 62.100 0.081 0.000 1.134 204 T CB -0.275 68.627 68.868 0.057 0.000 0.961 204 T HN 0.629 nan 8.240 nan 0.000 0.545 205 N N 4.324 123.072 118.700 0.081 0.000 2.469 205 N HA 0.552 5.293 4.740 0.001 0.000 0.253 205 N C -0.935 174.733 175.510 0.263 0.000 0.970 205 N CA -0.468 52.562 53.050 -0.033 0.000 0.940 205 N CB 0.990 39.249 38.487 -0.381 0.000 1.128 205 N HN 0.431 nan 8.380 nan 0.000 0.503 206 L N 0.935 122.360 121.223 0.337 0.000 2.359 206 L HA 0.485 4.825 4.340 0.001 0.000 0.256 206 L C 0.042 177.173 176.870 0.434 0.000 1.026 206 L CA -0.970 54.032 54.840 0.270 0.000 0.828 206 L CB 1.515 43.601 42.059 0.044 0.000 1.406 206 L HN 0.647 nan 8.230 nan 0.000 0.413 207 H N -0.130 119.084 119.070 0.239 0.000 2.839 207 H HA -0.166 4.390 4.556 0.001 0.000 0.298 207 H C 0.242 175.617 175.328 0.078 0.000 1.224 207 H CA 0.557 56.700 56.048 0.158 0.000 1.144 207 H CB -0.767 29.075 29.762 0.132 0.000 1.372 207 H HN 0.608 nan 8.280 nan 0.000 0.408 208 Q N 1.155 120.958 119.800 0.005 0.000 2.315 208 Q HA 0.151 4.491 4.340 0.001 0.000 0.289 208 Q C -0.028 175.904 176.000 -0.112 0.000 1.044 208 Q CA 0.639 56.201 55.803 -0.402 0.000 0.920 208 Q CB 0.661 29.095 28.738 -0.507 0.000 1.214 208 Q HN 0.371 nan 8.270 nan 0.000 0.392 209 K N 2.563 122.873 120.400 -0.150 0.000 2.352 209 K HA 0.498 4.819 4.320 0.001 0.000 0.240 209 K C -1.291 175.124 176.600 -0.309 0.000 1.017 209 K CA -1.017 55.113 56.287 -0.263 0.000 0.851 209 K CB 1.176 33.438 32.500 -0.395 0.000 1.261 209 K HN 0.413 nan 8.250 nan 0.000 0.451 210 L N 1.782 122.761 121.223 -0.407 0.000 2.287 210 L HA 0.416 4.756 4.340 0.001 0.000 0.287 210 L C -1.664 174.965 176.870 -0.402 0.000 1.022 210 L CA -0.062 54.630 54.840 -0.246 0.000 0.814 210 L CB 0.305 42.329 42.059 -0.059 0.000 1.217 210 L HN 0.444 nan 8.230 nan 0.000 0.420 211 Y N 3.856 124.061 120.300 -0.159 0.000 2.587 211 Y HA 0.479 5.030 4.550 0.001 0.000 0.337 211 Y C -1.139 174.829 175.900 0.114 0.000 1.065 211 Y CA -0.317 57.709 58.100 -0.123 0.000 1.126 211 Y CB 1.705 39.894 38.460 -0.453 0.000 1.279 211 Y HN 0.510 nan 8.280 nan 0.000 0.489 212 Y N 1.468 121.890 120.300 0.203 0.000 2.331 212 Y HA 0.371 4.922 4.550 0.001 0.000 0.334 212 Y C -1.101 174.886 175.900 0.144 0.000 0.960 212 Y CA -1.186 56.919 58.100 0.009 0.000 1.130 212 Y CB 0.519 38.833 38.460 -0.244 0.000 1.164 212 Y HN 0.690 nan 8.280 nan 0.000 0.458 213 H N 4.853 123.717 119.070 -0.345 0.000 2.552 213 H HA 0.531 5.087 4.556 0.001 0.000 0.311 213 H C -1.281 173.617 175.328 -0.715 0.000 1.071 213 H CA -0.517 55.309 56.048 -0.370 0.000 1.307 213 H CB 0.811 30.397 29.762 -0.294 0.000 1.416 213 H HN 0.504 nan 8.280 nan 0.000 0.464 214 V N 7.168 126.487 119.914 -0.992 0.000 2.455 214 V HA 0.006 4.127 4.120 0.001 0.000 0.273 214 V C 0.321 175.812 176.094 -1.005 0.000 1.045 214 V CA -0.647 61.175 62.300 -0.795 0.000 0.976 214 V CB 0.519 32.109 31.823 -0.389 0.000 0.993 214 V HN 0.657 nan 8.190 nan 0.000 0.475 215 L N 5.352 126.156 121.223 -0.699 0.000 2.499 215 L HA 0.496 4.837 4.340 0.001 0.000 0.273 215 L C 1.163 177.808 176.870 -0.374 0.000 1.195 215 L CA 1.901 56.410 54.840 -0.553 0.000 0.882 215 L CB 0.361 42.234 42.059 -0.311 0.000 1.133 215 L HN 0.974 nan 8.230 nan 0.000 0.483 216 G N 1.604 110.230 108.800 -0.289 0.000 2.144 216 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 216 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 216 G C 0.194 175.010 174.900 -0.140 0.000 0.988 216 G CA 0.251 45.254 45.100 -0.161 0.000 0.659 216 G HN 1.054 nan 8.290 nan 0.000 0.522 217 T N -2.163 112.281 114.554 -0.183 0.000 2.907 217 T HA 0.662 5.012 4.350 0.001 0.000 0.290 217 T C -0.816 173.899 174.700 0.025 0.000 1.066 217 T CA -0.500 61.537 62.100 -0.105 0.000 1.012 217 T CB 2.578 71.346 68.868 -0.167 0.000 1.184 217 T HN -0.053 nan 8.240 nan 0.000 0.522 218 D N 0.940 121.350 120.400 0.016 0.000 2.341 218 D HA 0.149 4.790 4.640 0.001 0.000 0.245 218 D C 1.208 177.542 176.300 0.058 0.000 1.106 218 D CA -0.274 53.740 54.000 0.025 0.000 0.905 218 D CB 1.435 42.232 40.800 -0.006 0.000 1.202 218 D HN 0.791 nan 8.370 nan 0.000 0.426 219 Q N 1.209 121.003 119.800 -0.009 0.000 2.197 219 Q HA -0.208 4.132 4.340 0.001 0.000 0.207 219 Q C 1.559 177.555 176.000 -0.007 0.000 0.984 219 Q CA 1.725 57.508 55.803 -0.033 0.000 0.869 219 Q CB 0.091 28.749 28.738 -0.133 0.000 0.906 219 Q HN 0.540 nan 8.270 nan 0.000 0.426 220 S N -0.219 115.472 115.700 -0.015 0.000 2.440 220 S HA -0.176 4.295 4.470 0.001 0.000 0.238 220 S C 1.205 175.813 174.600 0.014 0.000 1.010 220 S CA 1.367 59.561 58.200 -0.011 0.000 0.972 220 S CB -0.200 62.993 63.200 -0.012 0.000 0.774 220 S HN 0.500 nan 8.310 nan 0.000 0.501 221 E N 1.139 121.355 120.200 0.027 0.000 2.489 221 E HA 0.099 4.449 4.350 0.001 0.000 0.193 221 E C -0.508 176.132 176.600 0.068 0.000 1.057 221 E CA -0.086 56.334 56.400 0.033 0.000 0.866 221 E CB -0.049 29.655 29.700 0.006 0.000 0.916 221 E HN 0.533 nan 8.360 nan 0.000 0.500 222 D N 0.939 121.401 120.400 0.102 0.000 2.423 222 D HA 0.016 4.656 4.640 0.001 0.000 0.238 222 D C 0.070 176.516 176.300 0.244 0.000 1.142 222 D CA 0.263 54.373 54.000 0.183 0.000 0.884 222 D CB 0.750 41.689 40.800 0.232 0.000 1.199 222 D HN -0.078 nan 8.370 nan 0.000 0.438 223 I N 2.140 122.882 120.570 0.286 0.000 2.395 223 I HA 0.094 4.264 4.170 0.001 0.000 0.289 223 I C 0.301 176.597 176.117 0.298 0.000 1.023 223 I CA -0.805 60.648 61.300 0.255 0.000 1.350 223 I CB 0.545 38.675 38.000 0.216 0.000 1.409 223 I HN 0.213 nan 8.210 nan 0.000 0.507 224 L N 7.059 128.398 121.223 0.194 0.000 2.315 224 L HA 0.216 4.556 4.340 0.001 0.000 0.283 224 L C 0.458 177.331 176.870 0.005 0.000 1.089 224 L CA 0.541 55.359 54.840 -0.035 0.000 0.833 224 L CB 0.785 42.814 42.059 -0.049 0.000 1.170 224 L HN 0.747 nan 8.230 nan 0.000 0.442 225 C N 3.813 123.125 119.300 0.020 0.000 2.820 225 C HA 0.741 5.201 4.460 0.001 0.000 0.323 225 C C 0.838 176.008 174.990 0.300 0.000 1.279 225 C CA 0.113 59.250 59.018 0.197 0.000 1.790 225 C CB -0.734 27.239 27.740 0.388 0.000 2.328 225 C HN 0.906 nan 8.230 nan 0.000 0.579 226 A N 1.111 123.955 122.820 0.042 0.000 2.566 226 A HA 0.689 5.009 4.320 0.001 0.000 0.297 226 A C -1.143 176.115 177.584 -0.543 0.000 1.059 226 A CA -0.375 51.579 52.037 -0.137 0.000 0.691 226 A CB 1.035 19.921 19.000 -0.190 0.000 1.282 226 A HN 0.498 nan 8.150 nan 0.000 0.401 227 E N 0.140 119.886 120.200 -0.755 0.000 2.412 227 E HA 0.729 5.079 4.350 0.001 0.000 0.279 227 E C -1.842 174.190 176.600 -0.947 0.000 0.984 227 E CA -0.869 55.027 56.400 -0.840 0.000 0.788 227 E CB 1.439 30.934 29.700 -0.342 0.000 1.277 227 E HN 0.418 nan 8.360 nan 0.000 0.455 228 F N 0.612 120.581 119.950 0.031 0.000 2.622 228 F HA 0.343 4.870 4.527 0.001 0.000 0.338 228 F C -2.033 173.731 175.800 -0.060 0.000 1.334 228 F CA -2.085 55.889 58.000 -0.043 0.000 1.179 228 F CB 1.335 40.290 39.000 -0.074 0.000 1.471 228 F HN 0.323 nan 8.300 nan 0.000 0.576 229 P HA -0.122 nan 4.420 nan 0.000 0.220 229 P C 0.610 177.981 177.300 0.118 0.000 1.148 229 P CA 1.410 64.600 63.100 0.149 0.000 0.803 229 P CB 0.435 32.163 31.700 0.046 0.000 0.782 230 D N -0.461 119.927 120.400 -0.020 0.000 2.340 230 D HA 0.019 4.660 4.640 0.001 0.000 0.220 230 D C 0.315 176.474 176.300 -0.235 0.000 1.039 230 D CA 0.687 54.631 54.000 -0.093 0.000 0.866 230 D CB 0.236 40.975 40.800 -0.101 0.000 0.913 230 D HN 0.219 nan 8.370 nan 0.000 0.523 231 E N 0.423 120.408 120.200 -0.358 0.000 3.386 231 E HA 0.161 4.512 4.350 0.001 0.000 0.236 231 E C -2.034 174.308 176.600 -0.430 0.000 1.227 231 E CA -1.488 54.532 56.400 -0.633 0.000 0.970 231 E CB 1.848 30.530 29.700 -1.696 0.000 1.343 231 E HN -0.012 nan 8.360 nan 0.000 0.397 232 P HA -0.078 nan 4.420 nan 0.000 0.225 232 P C 0.898 178.020 177.300 -0.297 0.000 1.148 232 P CA 0.999 63.741 63.100 -0.596 0.000 0.779 232 P CB 0.371 31.673 31.700 -0.663 0.000 0.780 233 K N -2.634 117.664 120.400 -0.170 0.000 2.379 233 K HA 0.007 4.327 4.320 0.001 0.000 0.194 233 K C 0.241 176.966 176.600 0.208 0.000 1.031 233 K CA -0.063 56.198 56.287 -0.044 0.000 1.037 233 K CB 0.000 32.450 32.500 -0.083 0.000 0.824 233 K HN 0.127 nan 8.250 nan 0.000 0.516 234 W N 1.652 122.896 121.300 -0.093 0.000 2.181 234 W HA 0.197 4.858 4.660 0.001 0.000 0.335 234 W C 0.152 176.623 176.519 -0.080 0.000 1.310 234 W CA -0.304 56.934 57.345 -0.178 0.000 1.226 234 W CB 0.008 29.193 29.460 -0.459 0.000 1.155 234 W HN -0.094 nan 8.180 nan 0.000 0.565 235 M N 2.749 122.384 119.600 0.058 0.000 2.204 235 M HA 0.395 4.875 4.480 0.001 0.000 0.293 235 M C 0.337 176.625 176.300 -0.019 0.000 0.994 235 M CA -0.406 54.944 55.300 0.084 0.000 0.925 235 M CB 2.024 34.669 32.600 0.075 0.000 1.577 235 M HN 0.505 nan 8.290 nan 0.000 0.439 236 G N 1.750 110.617 108.800 0.113 0.000 2.415 236 G HA2 0.615 4.575 3.960 0.001 0.000 0.317 236 G HA3 0.615 4.575 3.960 0.001 0.000 0.317 236 G C -0.229 174.665 174.900 -0.011 0.000 1.152 236 G CA -0.514 44.585 45.100 -0.002 0.000 0.956 236 G HN 0.838 nan 8.290 nan 0.000 0.458 237 G N 0.659 109.434 108.800 -0.041 0.000 2.332 237 G HA2 0.666 4.626 3.960 0.001 0.000 0.310 237 G HA3 0.666 4.626 3.960 0.001 0.000 0.310 237 G C -0.037 174.860 174.900 -0.004 0.000 1.123 237 G CA 0.008 45.115 45.100 0.012 0.000 0.873 237 G HN 0.965 nan 8.290 nan 0.000 0.460 238 A N 2.509 125.343 122.820 0.023 0.000 2.312 238 A HA 0.849 5.169 4.320 0.001 0.000 0.326 238 A C 0.040 177.670 177.584 0.077 0.000 1.172 238 A CA -0.712 51.314 52.037 -0.019 0.000 0.821 238 A CB 1.041 19.911 19.000 -0.216 0.000 1.166 238 A HN 0.856 nan 8.150 nan 0.000 0.493 239 E N 1.777 122.028 120.200 0.084 0.000 2.408 239 E HA 0.595 4.946 4.350 0.001 0.000 0.275 239 E C -1.645 175.044 176.600 0.149 0.000 0.935 239 E CA -0.938 55.559 56.400 0.161 0.000 0.775 239 E CB 1.118 30.919 29.700 0.169 0.000 1.277 239 E HN 0.350 nan 8.360 nan 0.000 0.455 240 L N 2.358 123.719 121.223 0.230 0.000 2.325 240 L HA 0.280 4.620 4.340 0.001 0.000 0.279 240 L C 0.676 177.607 176.870 0.101 0.000 1.054 240 L CA -0.308 54.642 54.840 0.183 0.000 0.804 240 L CB 1.369 43.576 42.059 0.245 0.000 1.200 240 L HN 0.886 nan 8.230 nan 0.000 0.436 241 S N 1.125 116.838 115.700 0.023 0.000 2.569 241 S HA -0.002 4.469 4.470 0.001 0.000 0.274 241 S C 0.780 175.483 174.600 0.172 0.000 1.353 241 S CA -0.512 57.689 58.200 0.002 0.000 1.023 241 S CB 0.689 63.992 63.200 0.173 0.000 0.876 241 S HN 0.558 nan 8.310 nan 0.000 0.540 242 D N 1.281 121.867 120.400 0.311 0.000 2.221 242 D HA -0.100 4.540 4.640 0.001 0.000 0.204 242 D C 1.242 177.703 176.300 0.268 0.000 0.982 242 D CA 1.655 55.838 54.000 0.304 0.000 0.857 242 D CB -0.440 40.489 40.800 0.214 0.000 0.934 242 D HN 0.890 nan 8.370 nan 0.000 0.475 243 D N -1.307 119.183 120.400 0.150 0.000 2.340 243 D HA 0.126 4.767 4.640 0.001 0.000 0.220 243 D C 1.564 177.871 176.300 0.011 0.000 1.039 243 D CA 0.721 54.790 54.000 0.115 0.000 0.866 243 D CB -0.175 40.675 40.800 0.082 0.000 0.913 243 D HN 0.171 nan 8.370 nan 0.000 0.523 244 G N 1.050 109.684 108.800 -0.276 0.000 2.184 244 G HA2 -0.442 3.519 3.960 0.001 0.000 0.264 244 G HA3 -0.442 3.519 3.960 0.001 0.000 0.264 244 G C 1.142 175.917 174.900 -0.208 0.000 0.975 244 G CA 0.442 45.141 45.100 -0.669 0.000 0.642 244 G HN 0.526 nan 8.290 nan 0.000 0.536 245 R N -0.877 119.575 120.500 -0.082 0.000 2.161 245 R HA 0.277 4.617 4.340 0.001 0.000 0.213 245 R C 0.090 176.225 176.300 -0.274 0.000 1.055 245 R CA 0.678 56.661 56.100 -0.195 0.000 0.996 245 R CB 0.054 30.172 30.300 -0.304 0.000 0.901 245 R HN 0.420 nan 8.270 nan 0.000 0.456 246 Y N -0.495 119.858 120.300 0.089 0.000 2.409 246 Y HA 0.352 4.903 4.550 0.001 0.000 0.343 246 Y C -0.521 175.447 175.900 0.113 0.000 0.973 246 Y CA -1.176 57.013 58.100 0.148 0.000 1.064 246 Y CB 2.174 40.779 38.460 0.241 0.000 1.207 246 Y HN -0.339 nan 8.280 nan 0.000 0.452 247 V N 5.233 125.309 119.914 0.270 0.000 2.461 247 V HA 0.261 4.382 4.120 0.001 0.000 0.275 247 V C -0.163 176.124 176.094 0.322 0.000 1.047 247 V CA -0.589 61.826 62.300 0.191 0.000 0.955 247 V CB 0.585 32.422 31.823 0.023 0.000 0.988 247 V HN 0.544 nan 8.190 nan 0.000 0.471 248 L N 6.013 127.365 121.223 0.215 0.000 2.287 248 L HA 0.550 4.891 4.340 0.001 0.000 0.287 248 L C -0.581 176.373 176.870 0.139 0.000 1.022 248 L CA -0.539 54.433 54.840 0.221 0.000 0.814 248 L CB 1.539 43.673 42.059 0.125 0.000 1.217 248 L HN 0.452 nan 8.230 nan 0.000 0.420 249 L N 2.874 124.151 121.223 0.089 0.000 2.280 249 L HA 0.444 4.784 4.340 0.001 0.000 0.287 249 L C -0.249 176.494 176.870 -0.212 0.000 1.023 249 L CA 0.338 55.081 54.840 -0.162 0.000 0.819 249 L CB 1.570 43.290 42.059 -0.566 0.000 1.212 249 L HN 0.494 nan 8.230 nan 0.000 0.420 250 S N 6.434 122.039 115.700 -0.158 0.000 2.420 250 S HA 0.585 5.056 4.470 0.001 0.000 0.313 250 S C -0.168 174.273 174.600 -0.264 0.000 1.079 250 S CA -0.363 57.742 58.200 -0.158 0.000 1.104 250 S CB 0.348 63.537 63.200 -0.019 0.000 0.969 250 S HN 0.464 nan 8.310 nan 0.000 0.471 251 I N 4.167 124.479 120.570 -0.430 0.000 2.336 251 I HA 0.441 4.611 4.170 0.001 0.000 0.292 251 I C 0.395 176.321 176.117 -0.320 0.000 0.991 251 I CA -0.479 60.498 61.300 -0.539 0.000 1.227 251 I CB 0.971 38.354 38.000 -1.028 0.000 1.366 251 I HN 0.339 nan 8.210 nan 0.000 0.466 252 R N 4.515 124.839 120.500 -0.293 0.000 2.803 252 R HA 0.531 4.872 4.340 0.001 0.000 0.276 252 R C -0.825 175.221 176.300 -0.423 0.000 0.978 252 R CA -0.908 55.015 56.100 -0.296 0.000 0.939 252 R CB 2.554 32.747 30.300 -0.178 0.000 1.179 252 R HN 0.550 nan 8.270 nan 0.000 0.472 253 E N 1.194 121.005 120.200 -0.648 0.000 2.518 253 E HA 0.352 4.702 4.350 0.001 0.000 0.240 253 E C -0.299 176.123 176.600 -0.297 0.000 0.996 253 E CA -0.154 55.976 56.400 -0.449 0.000 0.768 253 E CB 0.844 30.149 29.700 -0.659 0.000 1.329 253 E HN 0.837 nan 8.360 nan 0.000 0.408 254 G N 1.755 110.488 108.800 -0.112 0.000 2.632 254 G HA2 -0.328 3.632 3.960 0.001 0.000 0.224 254 G HA3 -0.328 3.632 3.960 0.001 0.000 0.224 254 G C 0.865 175.745 174.900 -0.035 0.000 1.341 254 G CA -0.282 44.796 45.100 -0.036 0.000 0.880 254 G HN 1.014 nan 8.290 nan 0.000 0.566 255 c N -1.370 117.270 118.600 0.066 0.000 2.618 255 c HA 0.470 5.040 4.570 0.001 0.000 0.264 255 c C 0.912 175.050 174.090 0.080 0.000 1.334 255 c CA 0.063 56.472 56.329 0.133 0.000 1.731 255 c CB -1.266 41.469 42.510 0.375 0.000 1.852 255 c HN 0.702 nan 8.230 nan 0.000 0.566 256 D N 3.419 123.832 120.400 0.021 0.000 2.493 256 D HA 0.141 4.781 4.640 0.001 0.000 0.240 256 D C -1.996 174.307 176.300 0.006 0.000 1.142 256 D CA -0.601 53.411 54.000 0.021 0.000 0.872 256 D CB 0.829 41.602 40.800 -0.044 0.000 1.173 256 D HN 0.319 nan 8.370 nan 0.000 0.467 257 P HA 0.070 nan 4.420 nan 0.000 0.237 257 P C -1.035 176.281 177.300 0.026 0.000 1.788 257 P CA -0.160 62.965 63.100 0.042 0.000 1.061 257 P CB -0.325 31.426 31.700 0.084 0.000 1.967 258 V N -0.258 119.661 119.914 0.008 0.000 3.147 258 V HA 0.785 4.905 4.120 0.001 0.000 0.306 258 V C -1.244 174.891 176.094 0.069 0.000 1.209 258 V CA -1.060 61.263 62.300 0.038 0.000 1.023 258 V CB 2.972 34.835 31.823 0.067 0.000 1.059 258 V HN 0.445 nan 8.190 nan 0.000 0.435 259 N N 0.817 119.604 118.700 0.146 0.000 2.504 259 N HA 0.416 5.156 4.740 0.001 0.000 0.268 259 N C -1.166 174.374 175.510 0.050 0.000 1.184 259 N CA -0.875 52.248 53.050 0.123 0.000 0.875 259 N CB 2.365 40.868 38.487 0.027 0.000 1.630 259 N HN 0.819 nan 8.380 nan 0.000 0.486 260 R N 0.105 120.482 120.500 -0.205 0.000 2.641 260 R HA 0.333 4.673 4.340 0.001 0.000 0.269 260 R C -0.552 175.558 176.300 -0.318 0.000 1.074 260 R CA -0.450 55.407 56.100 -0.404 0.000 1.133 260 R CB 0.552 30.376 30.300 -0.792 0.000 1.029 260 R HN 0.447 nan 8.270 nan 0.000 0.488 261 L N 3.686 124.775 121.223 -0.224 0.000 2.406 261 L HA 0.382 4.722 4.340 0.001 0.000 0.270 261 L C -1.744 175.184 176.870 0.098 0.000 0.982 261 L CA -0.344 54.416 54.840 -0.134 0.000 0.843 261 L CB 1.110 43.042 42.059 -0.211 0.000 1.225 261 L HN 0.644 nan 8.230 nan 0.000 0.412 262 W N 4.836 126.041 121.300 -0.157 0.000 2.647 262 W HA 0.591 5.252 4.660 0.001 0.000 0.353 262 W C -0.271 176.312 176.519 0.107 0.000 1.080 262 W CA -0.974 56.304 57.345 -0.113 0.000 1.208 262 W CB 0.960 30.309 29.460 -0.186 0.000 1.396 262 W HN 0.482 nan 8.180 nan 0.000 0.573 263 Y N -0.737 119.753 120.300 0.316 0.000 2.576 263 Y HA 0.682 5.233 4.550 0.001 0.000 0.346 263 Y C -1.012 175.093 175.900 0.342 0.000 1.018 263 Y CA -1.994 56.294 58.100 0.312 0.000 1.050 263 Y CB 1.371 39.831 38.460 0.000 0.000 1.280 263 Y HN 0.462 nan 8.280 nan 0.000 0.474 264 C N 3.583 123.138 119.300 0.425 0.000 2.322 264 C HA 0.414 4.874 4.460 0.001 0.000 0.324 264 C C -0.723 174.418 174.990 0.252 0.000 1.249 264 C CA -0.594 58.451 59.018 0.044 0.000 1.453 264 C CB -0.328 27.110 27.740 -0.504 0.000 2.145 264 C HN 0.903 nan 8.230 nan 0.000 0.466 265 D N 4.636 125.198 120.400 0.270 0.000 2.344 265 D HA 0.114 4.755 4.640 0.001 0.000 0.253 265 D C 1.146 177.390 176.300 -0.093 0.000 1.255 265 D CA 0.065 54.086 54.000 0.035 0.000 0.894 265 D CB 0.580 41.455 40.800 0.126 0.000 1.067 265 D HN 0.712 nan 8.370 nan 0.000 0.492 266 L N 2.960 124.101 121.223 -0.137 0.000 2.187 266 L HA -0.162 4.178 4.340 0.001 0.000 0.213 266 L C 2.386 179.199 176.870 -0.095 0.000 1.100 266 L CA 0.783 55.561 54.840 -0.103 0.000 0.765 266 L CB -0.268 41.751 42.059 -0.068 0.000 0.904 266 L HN 0.544 nan 8.230 nan 0.000 0.437 267 Q N -0.025 119.708 119.800 -0.112 0.000 2.291 267 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 267 Q C 1.617 177.585 176.000 -0.054 0.000 0.976 267 Q CA 1.077 56.835 55.803 -0.075 0.000 0.875 267 Q CB 0.212 28.902 28.738 -0.081 0.000 0.927 267 Q HN 0.542 nan 8.270 nan 0.000 0.450 268 Q N 0.234 120.000 119.800 -0.057 0.000 2.319 268 Q HA 0.084 4.425 4.340 0.001 0.000 0.202 268 Q C -0.300 175.663 176.000 -0.062 0.000 0.896 268 Q CA 0.164 55.941 55.803 -0.043 0.000 0.942 268 Q CB 0.613 29.338 28.738 -0.022 0.000 1.083 268 Q HN 0.272 nan 8.270 nan 0.000 0.510 269 E N 0.561 120.715 120.200 -0.078 0.000 2.360 269 E HA 0.061 4.411 4.350 0.001 0.000 0.269 269 E C 0.772 177.335 176.600 -0.063 0.000 1.022 269 E CA 0.030 56.377 56.400 -0.088 0.000 0.887 269 E CB 1.239 30.876 29.700 -0.106 0.000 0.990 269 E HN -0.024 nan 8.360 nan 0.000 0.426 270 S N 2.442 118.106 115.700 -0.059 0.000 2.383 270 S HA -0.193 4.278 4.470 0.001 0.000 0.229 270 S C 1.063 175.642 174.600 -0.036 0.000 1.030 270 S CA 1.431 59.605 58.200 -0.042 0.000 1.002 270 S CB -0.007 63.169 63.200 -0.040 0.000 0.829 270 S HN 0.458 nan 8.310 nan 0.000 0.467 271 N N -0.507 118.168 118.700 -0.041 0.000 2.581 271 N HA 0.303 5.044 4.740 0.001 0.000 0.274 271 N C -0.062 175.426 175.510 -0.037 0.000 1.629 271 N CA 0.734 53.765 53.050 -0.032 0.000 0.884 271 N CB 0.140 38.613 38.487 -0.024 0.000 1.423 271 N HN 0.326 nan 8.380 nan 0.000 0.507 272 G N 0.713 109.483 108.800 -0.049 0.000 2.698 272 G HA2 -0.269 3.691 3.960 0.001 0.000 0.233 272 G HA3 -0.269 3.691 3.960 0.001 0.000 0.233 272 G C -0.299 174.544 174.900 -0.095 0.000 1.352 272 G CA -0.227 44.834 45.100 -0.065 0.000 0.879 272 G HN 0.274 nan 8.290 nan 0.000 0.567 273 I N 2.077 122.562 120.570 -0.142 0.000 2.329 273 I HA 0.316 4.487 4.170 0.001 0.000 0.295 273 I C 1.623 177.689 176.117 -0.085 0.000 1.109 273 I CA 0.745 61.932 61.300 -0.188 0.000 1.297 273 I CB 0.726 38.434 38.000 -0.488 0.000 1.433 273 I HN 0.786 nan 8.210 nan 0.000 0.509 274 T N 0.467 114.990 114.554 -0.052 0.000 3.004 274 T HA 0.506 4.856 4.350 0.001 0.000 0.266 274 T C 0.554 175.258 174.700 0.007 0.000 0.986 274 T CA 0.131 62.225 62.100 -0.010 0.000 0.902 274 T CB 0.829 69.688 68.868 -0.015 0.000 1.118 274 T HN 0.658 nan 8.240 nan 0.000 0.522 275 G N 1.329 110.128 108.800 -0.001 0.000 2.474 275 G HA2 0.433 4.393 3.960 0.001 0.000 0.234 275 G HA3 0.433 4.393 3.960 0.001 0.000 0.234 275 G C -1.646 173.262 174.900 0.012 0.000 1.204 275 G CA -0.910 44.200 45.100 0.017 0.000 0.939 275 G HN 0.200 nan 8.290 nan 0.000 0.491 276 I N 2.325 122.907 120.570 0.020 0.000 2.668 276 I HA 0.156 4.326 4.170 0.001 0.000 0.285 276 I C 0.908 176.987 176.117 -0.063 0.000 1.168 276 I CA 0.269 61.601 61.300 0.053 0.000 1.424 276 I CB -0.132 37.916 38.000 0.081 0.000 1.377 276 I HN 0.251 nan 8.210 nan 0.000 0.560 277 L N 6.804 127.892 121.223 -0.224 0.000 2.472 277 L HA 0.173 4.513 4.340 0.001 0.000 0.260 277 L C 1.044 177.542 176.870 -0.621 0.000 1.209 277 L CA -0.551 53.932 54.840 -0.595 0.000 0.817 277 L CB 0.144 41.534 42.059 -1.116 0.000 1.106 277 L HN 0.472 nan 8.230 nan 0.000 0.479 278 K N 1.841 121.950 120.400 -0.487 0.000 2.278 278 K HA 0.078 4.398 4.320 0.001 0.000 0.237 278 K C -1.049 175.349 176.600 -0.336 0.000 1.229 278 K CA -0.081 56.019 56.287 -0.311 0.000 1.155 278 K CB -0.219 32.158 32.500 -0.205 0.000 1.590 278 K HN 0.297 nan 8.250 nan 0.000 0.290 279 W N 1.354 122.567 121.300 -0.146 0.000 2.264 279 W HA 0.025 4.685 4.660 0.001 0.000 0.331 279 W C 0.297 176.555 176.519 -0.435 0.000 1.364 279 W CA -0.737 56.477 57.345 -0.217 0.000 1.253 279 W CB 0.432 29.811 29.460 -0.133 0.000 1.215 279 W HN 0.014 nan 8.180 nan 0.000 0.561 280 V N 4.812 124.507 119.914 -0.365 0.000 2.370 280 V HA 0.158 4.278 4.120 0.001 0.000 0.279 280 V C 0.238 175.962 176.094 -0.617 0.000 1.029 280 V CA -1.327 60.585 62.300 -0.647 0.000 0.870 280 V CB 1.017 32.143 31.823 -1.162 0.000 0.984 280 V HN 0.404 nan 8.190 nan 0.000 0.451 281 K N 4.682 124.734 120.400 -0.579 0.000 2.333 281 K HA 0.173 4.493 4.320 0.001 0.000 0.241 281 K C 0.947 177.392 176.600 -0.259 0.000 1.193 281 K CA -0.305 55.612 56.287 -0.616 0.000 1.142 281 K CB 0.523 32.512 32.500 -0.852 0.000 1.731 281 K HN 0.546 nan 8.250 nan 0.000 0.344 282 L N 1.684 122.794 121.223 -0.188 0.000 1.990 282 L HA -0.118 4.223 4.340 0.001 0.000 0.213 282 L C 0.466 177.274 176.870 -0.103 0.000 1.072 282 L CA 1.847 56.604 54.840 -0.138 0.000 0.755 282 L CB 0.202 42.166 42.059 -0.158 0.000 0.889 282 L HN 0.382 nan 8.230 nan 0.000 0.432 283 I N 0.485 120.991 120.570 -0.107 0.000 2.420 283 I HA 0.219 4.390 4.170 0.001 0.000 0.282 283 I C -0.686 175.398 176.117 -0.055 0.000 1.019 283 I CA -0.263 60.947 61.300 -0.150 0.000 1.130 283 I CB 0.820 38.569 38.000 -0.418 0.000 1.262 283 I HN 0.068 nan 8.210 nan 0.000 0.454 284 D N 5.354 125.731 120.400 -0.040 0.000 3.035 284 D HA 0.214 4.854 4.640 0.001 0.000 0.290 284 D C -0.250 175.968 176.300 -0.136 0.000 1.360 284 D CA -0.043 53.954 54.000 -0.004 0.000 0.862 284 D CB 0.287 41.100 40.800 0.022 0.000 1.078 284 D HN 0.695 nan 8.370 nan 0.000 0.487 285 N N -2.131 116.423 118.700 -0.244 0.000 2.934 285 N HA 0.301 5.041 4.740 0.001 0.000 0.253 285 N C -1.174 174.114 175.510 -0.370 0.000 1.466 285 N CA -0.769 52.102 53.050 -0.297 0.000 0.858 285 N CB 0.262 38.700 38.487 -0.081 0.000 1.459 285 N HN -0.226 nan 8.380 nan 0.000 0.532 286 F N -0.185 119.732 119.950 -0.056 0.000 2.983 286 F HA 0.423 4.951 4.527 0.001 0.000 0.307 286 F C 0.909 176.696 175.800 -0.021 0.000 1.218 286 F CA -0.498 57.456 58.000 -0.077 0.000 1.323 286 F CB 0.094 39.025 39.000 -0.115 0.000 0.989 286 F HN 0.603 nan 8.300 nan 0.000 0.509 287 E N -0.016 120.274 120.200 0.150 0.000 2.385 287 E HA 0.244 4.595 4.350 0.001 0.000 0.194 287 E C 1.238 177.867 176.600 0.049 0.000 1.013 287 E CA 0.171 56.627 56.400 0.093 0.000 0.866 287 E CB 0.467 30.211 29.700 0.074 0.000 0.832 287 E HN 0.405 nan 8.360 nan 0.000 0.500 288 G N 0.673 109.535 108.800 0.102 0.000 2.677 288 G HA2 0.280 4.240 3.960 0.001 0.000 0.291 288 G HA3 0.280 4.240 3.960 0.001 0.000 0.291 288 G C -1.770 173.040 174.900 -0.150 0.000 1.435 288 G CA -0.699 44.352 45.100 -0.083 0.000 0.826 288 G HN -0.027 nan 8.290 nan 0.000 0.491 289 E N -0.482 119.513 120.200 -0.341 0.000 2.249 289 E HA 0.578 4.928 4.350 0.001 0.000 0.280 289 E C -1.437 174.821 176.600 -0.570 0.000 1.016 289 E CA -0.638 55.628 56.400 -0.223 0.000 0.830 289 E CB 0.977 30.660 29.700 -0.027 0.000 1.081 289 E HN 0.399 nan 8.360 nan 0.000 0.395 290 Y N 2.481 122.789 120.300 0.013 0.000 2.333 290 Y HA 0.267 4.818 4.550 0.001 0.000 0.324 290 Y C -1.037 174.982 175.900 0.198 0.000 1.033 290 Y CA -1.083 57.005 58.100 -0.020 0.000 1.224 290 Y CB 1.600 39.810 38.460 -0.417 0.000 1.120 290 Y HN 0.398 nan 8.280 nan 0.000 0.457 291 D N 2.426 123.088 120.400 0.437 0.000 2.381 291 D HA 0.093 4.734 4.640 0.001 0.000 0.235 291 D C -0.803 175.795 176.300 0.497 0.000 1.068 291 D CA -0.525 53.713 54.000 0.397 0.000 0.832 291 D CB 0.956 41.890 40.800 0.222 0.000 1.101 291 D HN 0.428 nan 8.370 nan 0.000 0.515 292 Y N 2.621 123.137 120.300 0.360 0.000 2.620 292 Y HA 0.055 4.606 4.550 0.001 0.000 0.330 292 Y C 0.559 176.464 175.900 0.008 0.000 1.186 292 Y CA 0.381 58.527 58.100 0.077 0.000 1.467 292 Y CB 0.600 39.142 38.460 0.137 0.000 1.262 292 Y HN 0.200 nan 8.280 nan 0.000 0.550 293 V N 3.768 123.261 119.914 -0.702 0.000 2.721 293 V HA 0.164 4.284 4.120 0.001 0.000 0.236 293 V C 0.580 176.101 176.094 -0.955 0.000 1.116 293 V CA 1.283 63.225 62.300 -0.597 0.000 1.148 293 V CB 0.364 31.996 31.823 -0.318 0.000 0.886 293 V HN 0.851 nan 8.190 nan 0.000 0.490 294 T N 0.093 113.963 114.554 -1.140 0.000 2.677 294 T HA 0.376 4.727 4.350 0.001 0.000 0.305 294 T C -2.246 172.037 174.700 -0.696 0.000 1.569 294 T CA -0.526 61.053 62.100 -0.868 0.000 0.984 294 T CB 1.681 70.322 68.868 -0.379 0.000 1.629 294 T HN 0.522 nan 8.240 nan 0.000 0.494 295 N N 1.057 119.449 118.700 -0.513 0.000 2.416 295 N HA 0.446 5.186 4.740 0.001 0.000 0.276 295 N C -1.806 173.438 175.510 -0.443 0.000 1.261 295 N CA -0.718 51.865 53.050 -0.777 0.000 0.790 295 N CB 2.175 39.563 38.487 -1.833 0.000 1.554 295 N HN 0.491 nan 8.380 nan 0.000 0.481 296 E N 0.511 120.484 120.200 -0.378 0.000 2.267 296 E HA 0.387 4.737 4.350 0.001 0.000 0.248 296 E C 0.774 177.273 176.600 -0.168 0.000 0.899 296 E CA -0.238 56.040 56.400 -0.202 0.000 0.764 296 E CB 1.102 30.720 29.700 -0.136 0.000 1.227 296 E HN 0.967 nan 8.360 nan 0.000 0.421 297 G N 3.370 112.106 108.800 -0.106 0.000 2.622 297 G HA2 -0.430 3.531 3.960 0.001 0.000 0.307 297 G HA3 -0.430 3.531 3.960 0.001 0.000 0.307 297 G C 0.959 175.833 174.900 -0.043 0.000 1.226 297 G CA 0.989 46.080 45.100 -0.015 0.000 0.997 297 G HN 0.564 nan 8.290 nan 0.000 0.551 298 T N -1.429 113.124 114.554 -0.002 0.000 3.129 298 T HA 0.454 4.805 4.350 0.001 0.000 0.251 298 T C 0.767 175.403 174.700 -0.108 0.000 1.117 298 T CA 0.894 62.973 62.100 -0.036 0.000 1.034 298 T CB 0.233 69.152 68.868 0.085 0.000 0.968 298 T HN 0.938 nan 8.240 nan 0.000 0.526 299 V N 2.598 122.434 119.914 -0.130 0.000 2.368 299 V HA 0.432 4.553 4.120 0.001 0.000 0.266 299 V C -0.680 175.253 176.094 -0.269 0.000 1.045 299 V CA -0.864 61.373 62.300 -0.106 0.000 0.899 299 V CB -0.325 31.457 31.823 -0.068 0.000 1.006 299 V HN 0.327 nan 8.190 nan 0.000 0.470 300 F N 2.476 122.201 119.950 -0.376 0.000 2.427 300 F HA 0.472 5.000 4.527 0.001 0.000 0.346 300 F C 0.871 176.445 175.800 -0.378 0.000 1.120 300 F CA -0.338 57.396 58.000 -0.444 0.000 1.033 300 F CB 1.884 40.554 39.000 -0.550 0.000 1.126 300 F HN 0.322 nan 8.300 nan 0.000 0.462 301 T N 5.010 119.327 114.554 -0.394 0.000 2.767 301 T HA 0.526 4.876 4.350 0.001 0.000 0.288 301 T C -0.852 173.586 174.700 -0.437 0.000 0.963 301 T CA -0.175 61.757 62.100 -0.280 0.000 1.019 301 T CB 0.096 68.810 68.868 -0.257 0.000 0.923 301 T HN 0.164 nan 8.240 nan 0.000 0.468 302 F N 1.771 121.744 119.950 0.039 0.000 2.551 302 F HA 0.480 5.008 4.527 0.001 0.000 0.316 302 F C 0.430 176.261 175.800 0.053 0.000 1.089 302 F CA -1.244 56.809 58.000 0.089 0.000 0.915 302 F CB 1.810 40.916 39.000 0.176 0.000 1.186 302 F HN 0.281 nan 8.300 nan 0.000 0.456 303 K N 1.618 122.163 120.400 0.242 0.000 2.276 303 K HA 0.478 4.799 4.320 0.001 0.000 0.283 303 K C -0.621 176.089 176.600 0.183 0.000 1.044 303 K CA 0.068 56.456 56.287 0.168 0.000 0.944 303 K CB 1.019 33.580 32.500 0.102 0.000 1.012 303 K HN 0.771 nan 8.250 nan 0.000 0.472 304 T N 1.828 116.460 114.554 0.130 0.000 2.883 304 T HA 0.260 4.610 4.350 0.001 0.000 0.301 304 T C -0.351 174.280 174.700 -0.114 0.000 1.158 304 T CA -0.858 61.198 62.100 -0.074 0.000 1.007 304 T CB 0.824 69.562 68.868 -0.217 0.000 1.186 304 T HN 0.782 nan 8.240 nan 0.000 0.499 305 N N 1.293 119.778 118.700 -0.358 0.000 2.204 305 N HA 0.145 4.886 4.740 0.001 0.000 0.219 305 N C 0.171 175.476 175.510 -0.342 0.000 1.151 305 N CA -0.514 52.196 53.050 -0.566 0.000 0.867 305 N CB -0.064 37.855 38.487 -0.948 0.000 1.043 305 N HN 0.327 nan 8.380 nan 0.000 0.516 306 R N 1.730 122.068 120.500 -0.270 0.000 2.446 306 R HA -0.016 4.324 4.340 0.001 0.000 0.325 306 R C -0.197 176.076 176.300 -0.044 0.000 0.997 306 R CA 0.328 56.332 56.100 -0.159 0.000 1.010 306 R CB -1.262 29.069 30.300 0.053 0.000 0.946 306 R HN 0.267 nan 8.270 nan 0.000 0.422 307 H N 1.367 120.428 119.070 -0.015 0.000 2.731 307 H HA -0.189 4.368 4.556 0.001 0.000 0.305 307 H C -0.840 174.475 175.328 -0.021 0.000 1.132 307 H CA 1.463 57.505 56.048 -0.009 0.000 1.148 307 H CB -1.609 28.163 29.762 0.015 0.000 1.379 307 H HN 0.613 nan 8.280 nan 0.000 0.398 308 S N -1.402 114.285 115.700 -0.022 0.000 2.356 308 S HA 0.275 4.746 4.470 0.001 0.000 0.171 308 S C -1.723 172.778 174.600 -0.165 0.000 1.399 308 S CA -0.935 57.242 58.200 -0.038 0.000 1.225 308 S CB 2.625 65.821 63.200 -0.005 0.000 1.271 308 S HN -0.107 nan 8.310 nan 0.000 0.427 309 P HA -0.050 nan 4.420 nan 0.000 0.222 309 P C 0.361 177.614 177.300 -0.079 0.000 1.147 309 P CA 0.978 63.996 63.100 -0.137 0.000 0.790 309 P CB -0.036 31.659 31.700 -0.009 0.000 0.780 310 N N -1.586 117.140 118.700 0.044 0.000 2.270 310 N HA 0.036 4.777 4.740 0.001 0.000 0.198 310 N C -0.270 175.459 175.510 0.366 0.000 1.117 310 N CA -0.042 53.148 53.050 0.232 0.000 0.845 310 N CB -0.437 38.188 38.487 0.230 0.000 0.980 310 N HN 0.132 nan 8.380 nan 0.000 0.486 311 Y N -0.167 120.164 120.300 0.051 0.000 2.515 311 Y HA -0.325 4.225 4.550 0.001 0.000 0.021 311 Y C 0.592 176.516 175.900 0.040 0.000 1.710 311 Y CA -0.098 58.014 58.100 0.020 0.000 1.413 311 Y CB -0.474 37.973 38.460 -0.021 0.000 2.059 311 Y HN 0.234 nan 8.280 nan 0.000 0.255 312 R N 0.718 121.322 120.500 0.173 0.000 2.766 312 R HA 0.906 5.246 4.340 0.001 0.000 0.270 312 R C -2.190 174.173 176.300 0.105 0.000 1.035 312 R CA -1.328 54.848 56.100 0.127 0.000 0.911 312 R CB 1.562 31.934 30.300 0.121 0.000 1.243 312 R HN 0.526 nan 8.270 nan 0.000 0.460 313 L N 2.402 123.674 121.223 0.082 0.000 2.307 313 L HA 0.607 4.947 4.340 0.001 0.000 0.284 313 L C -0.144 176.792 176.870 0.110 0.000 1.023 313 L CA -0.996 53.890 54.840 0.075 0.000 0.810 313 L CB 1.650 43.719 42.059 0.016 0.000 1.231 313 L HN 0.586 nan 8.230 nan 0.000 0.423 314 I N 0.064 120.720 120.570 0.142 0.000 2.740 314 I HA 0.522 4.693 4.170 0.001 0.000 0.303 314 I C -0.939 175.260 176.117 0.137 0.000 1.044 314 I CA -0.755 60.643 61.300 0.162 0.000 1.064 314 I CB 2.250 40.373 38.000 0.205 0.000 1.249 314 I HN 0.502 nan 8.210 nan 0.000 0.433 315 N N 4.497 123.271 118.700 0.123 0.000 2.408 315 N HA 0.604 5.344 4.740 0.001 0.000 0.280 315 N C -1.235 174.328 175.510 0.089 0.000 1.002 315 N CA -0.642 52.464 53.050 0.094 0.000 0.907 315 N CB 2.239 40.767 38.487 0.070 0.000 1.161 315 N HN 0.461 nan 8.380 nan 0.000 0.488 316 I N 1.133 121.757 120.570 0.089 0.000 2.362 316 I HA 0.161 4.331 4.170 0.001 0.000 0.289 316 I C -0.551 175.681 176.117 0.192 0.000 0.994 316 I CA -0.687 60.636 61.300 0.039 0.000 1.158 316 I CB 1.501 39.417 38.000 -0.140 0.000 1.315 316 I HN 0.405 nan 8.210 nan 0.000 0.451 317 D N 5.954 126.488 120.400 0.223 0.000 2.313 317 D HA 0.151 4.791 4.640 0.001 0.000 0.239 317 D C 0.808 177.305 176.300 0.327 0.000 1.142 317 D CA -0.239 53.883 54.000 0.203 0.000 0.847 317 D CB 0.842 41.744 40.800 0.171 0.000 1.082 317 D HN 0.234 nan 8.370 nan 0.000 0.480 318 F N 1.503 121.480 119.950 0.045 0.000 2.307 318 F HA -0.147 4.380 4.527 0.001 0.000 0.301 318 F C 2.585 178.436 175.800 0.084 0.000 1.076 318 F CA 1.230 59.222 58.000 -0.014 0.000 1.383 318 F CB -1.257 37.594 39.000 -0.249 0.000 1.055 318 F HN 0.440 nan 8.300 nan 0.000 0.526 319 T N -3.753 110.968 114.554 0.280 0.000 3.113 319 T HA -0.023 4.328 4.350 0.001 0.000 0.256 319 T C 0.468 175.269 174.700 0.169 0.000 1.131 319 T CA 0.777 62.997 62.100 0.199 0.000 1.074 319 T CB -0.051 68.911 68.868 0.157 0.000 0.944 319 T HN 0.046 nan 8.240 nan 0.000 0.516 320 D N 1.312 121.828 120.400 0.194 0.000 3.118 320 D HA 0.268 4.908 4.640 0.001 0.000 0.286 320 D C -2.228 174.211 176.300 0.231 0.000 1.255 320 D CA -1.629 52.475 54.000 0.174 0.000 0.748 320 D CB 1.226 42.115 40.800 0.150 0.000 1.332 320 D HN 0.070 nan 8.370 nan 0.000 0.575 321 P HA 0.055 nan 4.420 nan 0.000 0.249 321 P C -0.014 177.513 177.300 0.378 0.000 1.229 321 P CA 0.078 63.379 63.100 0.335 0.000 0.788 321 P CB 0.422 32.264 31.700 0.237 0.000 1.072 322 E N 0.807 121.116 120.200 0.181 0.000 2.413 322 E HA -0.056 4.294 4.350 0.001 0.000 0.263 322 E C 1.189 177.637 176.600 -0.253 0.000 1.015 322 E CA -0.029 56.379 56.400 0.013 0.000 0.916 322 E CB 0.689 30.377 29.700 -0.019 0.000 0.947 322 E HN 0.190 nan 8.360 nan 0.000 0.440 323 E N 1.913 121.741 120.200 -0.620 0.000 2.097 323 E HA -0.255 4.095 4.350 0.001 0.000 0.196 323 E C 1.738 177.837 176.600 -0.836 0.000 1.000 323 E CA 1.617 57.141 56.400 -1.459 0.000 0.804 323 E CB 0.056 29.048 29.700 -1.181 0.000 0.740 323 E HN 0.544 nan 8.360 nan 0.000 0.454 324 S N -0.203 115.264 115.700 -0.388 0.000 2.500 324 S HA -0.082 4.388 4.470 0.001 0.000 0.239 324 S C 1.487 176.036 174.600 -0.085 0.000 0.989 324 S CA 0.681 58.767 58.200 -0.190 0.000 0.951 324 S CB -0.007 63.125 63.200 -0.114 0.000 0.759 324 S HN 0.131 nan 8.310 nan 0.000 0.523 325 K N -0.188 120.177 120.400 -0.058 0.000 2.361 325 K HA 0.161 4.481 4.320 0.001 0.000 0.194 325 K C -0.102 176.660 176.600 0.270 0.000 1.032 325 K CA -0.231 56.117 56.287 0.102 0.000 1.048 325 K CB -0.121 32.459 32.500 0.134 0.000 0.842 325 K HN 0.447 nan 8.250 nan 0.000 0.526 326 W N 2.942 124.298 121.300 0.094 0.000 2.170 326 W HA 0.080 4.740 4.660 0.001 0.000 0.342 326 W C 0.585 177.167 176.519 0.105 0.000 1.294 326 W CA -0.577 56.839 57.345 0.118 0.000 1.246 326 W CB -0.027 29.517 29.460 0.141 0.000 1.156 326 W HN -0.225 nan 8.180 nan 0.000 0.572 327 K N 1.507 122.105 120.400 0.331 0.000 2.182 327 K HA 0.464 4.784 4.320 0.001 0.000 0.262 327 K C -0.841 175.880 176.600 0.200 0.000 0.957 327 K CA -1.052 55.365 56.287 0.216 0.000 0.842 327 K CB 2.066 34.659 32.500 0.154 0.000 1.099 327 K HN 0.032 nan 8.250 nan 0.000 0.438 328 V N 4.852 124.867 119.914 0.168 0.000 2.408 328 V HA 0.009 4.129 4.120 0.001 0.000 0.267 328 V C 0.976 177.137 176.094 0.113 0.000 1.047 328 V CA -0.138 62.252 62.300 0.148 0.000 0.937 328 V CB 0.802 32.706 31.823 0.135 0.000 0.999 328 V HN 0.700 nan 8.190 nan 0.000 0.472 329 L N 6.389 127.673 121.223 0.102 0.000 2.145 329 L HA 0.288 4.629 4.340 0.001 0.000 0.201 329 L C 0.695 177.613 176.870 0.079 0.000 1.075 329 L CA 1.674 56.562 54.840 0.079 0.000 0.773 329 L CB 0.575 42.669 42.059 0.057 0.000 0.936 329 L HN 0.446 nan 8.230 nan 0.000 0.451 330 V N 1.500 121.459 119.914 0.075 0.000 2.398 330 V HA 0.388 4.508 4.120 0.001 0.000 0.282 330 V C -2.308 173.847 176.094 0.101 0.000 1.014 330 V CA -1.573 60.775 62.300 0.080 0.000 0.838 330 V CB 0.969 32.801 31.823 0.015 0.000 1.018 330 V HN 0.086 nan 8.190 nan 0.000 0.432 331 P HA 0.034 nan 4.420 nan 0.000 0.269 331 P C 0.080 177.462 177.300 0.136 0.000 1.217 331 P CA -0.039 63.126 63.100 0.109 0.000 0.783 331 P CB 0.632 32.384 31.700 0.086 0.000 0.898 332 E N 1.586 121.862 120.200 0.128 0.000 2.414 332 E HA -0.083 4.267 4.350 0.001 0.000 0.263 332 E C -0.072 176.622 176.600 0.157 0.000 1.000 332 E CA -0.042 56.451 56.400 0.155 0.000 0.914 332 E CB 0.252 30.019 29.700 0.111 0.000 0.948 332 E HN 0.454 nan 8.360 nan 0.000 0.444 333 H N 3.599 122.743 119.070 0.125 0.000 2.615 333 H HA 0.017 4.573 4.556 0.001 0.000 0.363 333 H C 0.589 175.957 175.328 0.066 0.000 1.148 333 H CA 0.337 56.425 56.048 0.068 0.000 1.401 333 H CB 1.184 30.965 29.762 0.031 0.000 1.461 333 H HN 0.750 nan 8.280 nan 0.000 0.588 334 E N 2.424 122.380 120.200 -0.407 0.000 2.160 334 E HA -0.186 4.164 4.350 0.001 0.000 0.195 334 E C 1.367 177.995 176.600 0.047 0.000 0.991 334 E CA 1.390 57.692 56.400 -0.164 0.000 0.810 334 E CB 0.411 29.966 29.700 -0.241 0.000 0.742 334 E HN 0.527 nan 8.360 nan 0.000 0.466 335 K N -0.468 120.101 120.400 0.282 0.000 2.631 335 K HA 0.025 4.345 4.320 0.001 0.000 0.200 335 K C -0.596 176.209 176.600 0.341 0.000 1.481 335 K CA -0.076 56.388 56.287 0.296 0.000 1.087 335 K CB 0.822 33.463 32.500 0.234 0.000 1.502 335 K HN -0.124 nan 8.250 nan 0.000 0.560 336 D N 1.800 122.450 120.400 0.416 0.000 2.350 336 D HA 0.083 4.724 4.640 0.001 0.000 0.249 336 D C -0.600 175.857 176.300 0.263 0.000 1.119 336 D CA -0.023 54.069 54.000 0.153 0.000 0.886 336 D CB 1.730 42.396 40.800 -0.224 0.000 1.195 336 D HN -0.124 nan 8.370 nan 0.000 0.437 337 V N 3.010 123.040 119.914 0.195 0.000 2.461 337 V HA 0.048 4.169 4.120 0.001 0.000 0.275 337 V C 0.307 176.457 176.094 0.093 0.000 1.047 337 V CA -0.798 61.605 62.300 0.171 0.000 0.955 337 V CB 1.303 33.161 31.823 0.058 0.000 0.988 337 V HN 0.331 nan 8.190 nan 0.000 0.471 338 L N 5.462 126.681 121.223 -0.008 0.000 2.342 338 L HA 0.276 4.616 4.340 0.001 0.000 0.285 338 L C 1.190 177.798 176.870 -0.436 0.000 1.095 338 L CA 0.753 55.309 54.840 -0.473 0.000 0.843 338 L CB 0.101 41.924 42.059 -0.393 0.000 1.201 338 L HN 0.712 nan 8.230 nan 0.000 0.445 339 E N 5.424 125.337 120.200 -0.479 0.000 2.051 339 E HA 0.008 4.358 4.350 0.001 0.000 0.189 339 E C -0.560 175.929 176.600 -0.184 0.000 0.979 339 E CA 1.156 57.353 56.400 -0.339 0.000 0.803 339 E CB 0.225 29.777 29.700 -0.248 0.000 0.761 339 E HN 0.749 nan 8.360 nan 0.000 0.451 340 W N -1.406 119.712 121.300 -0.304 0.000 3.059 340 W HA 0.547 5.207 4.660 0.001 0.000 0.329 340 W C -1.757 174.594 176.519 -0.280 0.000 1.246 340 W CA -0.792 56.402 57.345 -0.253 0.000 1.190 340 W CB 0.648 29.993 29.460 -0.192 0.000 1.423 340 W HN -0.398 nan 8.180 nan 0.000 0.571 341 V N 1.313 121.331 119.914 0.173 0.000 2.808 341 V HA 0.785 4.906 4.120 0.001 0.000 0.308 341 V C -0.290 175.881 176.094 0.130 0.000 1.099 341 V CA -0.648 61.663 62.300 0.019 0.000 0.920 341 V CB 1.110 32.874 31.823 -0.098 0.000 1.014 341 V HN 0.890 nan 8.190 nan 0.000 0.425 342 A N 2.436 125.311 122.820 0.091 0.000 2.380 342 A HA 0.824 5.144 4.320 0.001 0.000 0.315 342 A C -0.690 176.943 177.584 0.081 0.000 1.101 342 A CA -0.503 51.582 52.037 0.079 0.000 0.771 342 A CB 1.763 20.800 19.000 0.062 0.000 1.287 342 A HN 1.082 nan 8.150 nan 0.000 0.436 343 C N 1.747 121.095 119.300 0.081 0.000 2.355 343 C HA 0.830 5.291 4.460 0.001 0.000 0.332 343 C C -0.357 174.731 174.990 0.162 0.000 1.255 343 C CA -0.126 58.944 59.018 0.086 0.000 1.792 343 C CB 0.066 27.797 27.740 -0.015 0.000 2.300 343 C HN 1.099 nan 8.230 nan 0.000 0.515 344 V N 6.788 126.826 119.914 0.206 0.000 3.087 344 V HA 0.664 4.784 4.120 0.001 0.000 0.306 344 V C 0.308 176.513 176.094 0.185 0.000 1.187 344 V CA -0.532 61.907 62.300 0.231 0.000 0.999 344 V CB 1.760 33.780 31.823 0.330 0.000 1.049 344 V HN 1.060 nan 8.190 nan 0.000 0.431 345 R N 3.550 124.122 120.500 0.121 0.000 3.416 345 R HA -0.213 4.128 4.340 0.001 0.000 0.263 345 R C 0.912 177.149 176.300 -0.106 0.000 1.053 345 R CA 0.930 57.041 56.100 0.019 0.000 0.705 345 R CB -1.451 28.879 30.300 0.049 0.000 1.124 345 R HN 1.397 nan 8.270 nan 0.000 0.444 346 S N -1.883 113.790 115.700 -0.045 0.000 1.552 346 S HA -0.314 4.156 4.470 0.001 0.000 0.237 346 S C 0.571 175.118 174.600 -0.087 0.000 0.756 346 S CA 2.012 60.171 58.200 -0.068 0.000 1.349 346 S CB -0.947 62.197 63.200 -0.092 0.000 1.675 346 S HN 0.853 nan 8.310 nan 0.000 0.517 347 N N 0.696 119.292 118.700 -0.173 0.000 2.240 347 N HA 0.357 5.097 4.740 0.001 0.000 0.240 347 N C -0.866 174.613 175.510 -0.051 0.000 1.277 347 N CA -0.174 52.793 53.050 -0.137 0.000 0.873 347 N CB -0.112 38.275 38.487 -0.166 0.000 1.222 347 N HN 0.379 nan 8.380 nan 0.000 0.507 348 F N 0.928 120.902 119.950 0.040 0.000 2.458 348 F HA 0.581 5.109 4.527 0.001 0.000 0.330 348 F C 0.341 176.178 175.800 0.062 0.000 1.082 348 F CA -1.415 56.622 58.000 0.062 0.000 0.995 348 F CB 1.425 40.480 39.000 0.091 0.000 1.170 348 F HN -0.183 nan 8.300 nan 0.000 0.478 349 L N 2.979 124.371 121.223 0.281 0.000 2.346 349 L HA 0.619 4.959 4.340 0.001 0.000 0.276 349 L C -0.887 176.055 176.870 0.120 0.000 1.006 349 L CA -1.039 53.886 54.840 0.142 0.000 0.817 349 L CB 2.011 44.106 42.059 0.060 0.000 1.272 349 L HN 0.188 nan 8.230 nan 0.000 0.421 350 V N 4.452 124.405 119.914 0.065 0.000 2.370 350 V HA 0.361 4.481 4.120 0.001 0.000 0.279 350 V C -0.225 175.740 176.094 -0.214 0.000 1.029 350 V CA -0.429 61.866 62.300 -0.009 0.000 0.870 350 V CB 1.617 33.433 31.823 -0.011 0.000 0.984 350 V HN 0.388 nan 8.190 nan 0.000 0.451 351 L N 5.194 126.252 121.223 -0.276 0.000 2.313 351 L HA 0.519 4.859 4.340 0.001 0.000 0.283 351 L C -0.217 176.246 176.870 -0.678 0.000 1.013 351 L CA 0.112 54.642 54.840 -0.517 0.000 0.816 351 L CB 1.537 43.324 42.059 -0.454 0.000 1.236 351 L HN 0.746 nan 8.230 nan 0.000 0.419 352 C N 4.354 122.973 119.300 -1.136 0.000 2.281 352 C HA 0.619 5.080 4.460 0.001 0.000 0.323 352 C C -0.351 174.158 174.990 -0.802 0.000 1.270 352 C CA -0.582 57.792 59.018 -1.073 0.000 1.559 352 C CB -0.720 25.832 27.740 -1.979 0.000 2.239 352 C HN 0.650 nan 8.230 nan 0.000 0.488 353 Y N 3.703 123.784 120.300 -0.365 0.000 2.453 353 Y HA 0.663 5.214 4.550 0.001 0.000 0.326 353 Y C 0.019 175.824 175.900 -0.159 0.000 1.186 353 Y CA -0.727 57.230 58.100 -0.238 0.000 1.200 353 Y CB 1.273 39.618 38.460 -0.192 0.000 1.247 353 Y HN 0.544 nan 8.280 nan 0.000 0.482 354 L N 2.483 123.747 121.223 0.068 0.000 2.298 354 L HA 0.356 4.697 4.340 0.001 0.000 0.284 354 L C -1.355 175.552 176.870 0.060 0.000 1.013 354 L CA -0.416 54.442 54.840 0.030 0.000 0.824 354 L CB 0.357 42.385 42.059 -0.052 0.000 1.221 354 L HN 0.653 nan 8.230 nan 0.000 0.418 355 H N 4.365 123.425 119.070 -0.017 0.000 2.685 355 H HA 0.344 4.901 4.556 0.001 0.000 0.307 355 H C -0.595 174.750 175.328 0.029 0.000 1.017 355 H CA -0.398 55.641 56.048 -0.016 0.000 1.237 355 H CB 0.471 30.214 29.762 -0.032 0.000 1.409 355 H HN 0.680 nan 8.280 nan 0.000 0.488 356 D N 4.736 124.929 120.400 -0.345 0.000 2.704 356 D HA -0.182 4.459 4.640 0.001 0.000 0.232 356 D C 0.337 176.595 176.300 -0.070 0.000 1.183 356 D CA 1.237 55.140 54.000 -0.161 0.000 0.647 356 D CB -1.087 39.654 40.800 -0.098 0.000 1.013 356 D HN 0.629 nan 8.370 nan 0.000 0.415 357 V N -2.837 116.998 119.914 -0.131 0.000 4.032 357 V HA -0.360 3.760 4.120 0.001 0.000 0.231 357 V C 0.612 176.834 176.094 0.214 0.000 0.429 357 V CA 1.901 64.213 62.300 0.019 0.000 0.934 357 V CB -2.028 29.808 31.823 0.021 0.000 1.004 357 V HN 0.509 nan 8.190 nan 0.000 1.283 358 K N 0.108 120.608 120.400 0.167 0.000 2.375 358 K HA 0.646 4.966 4.320 0.001 0.000 0.249 358 K C -0.250 176.438 176.600 0.147 0.000 0.942 358 K CA -0.734 55.667 56.287 0.189 0.000 0.806 358 K CB 1.921 34.569 32.500 0.246 0.000 1.227 358 K HN 0.334 nan 8.250 nan 0.000 0.430 359 N N 0.510 119.293 118.700 0.138 0.000 2.524 359 N HA 0.273 5.014 4.740 0.001 0.000 0.283 359 N C -0.837 174.739 175.510 0.109 0.000 1.142 359 N CA -0.178 52.936 53.050 0.108 0.000 0.984 359 N CB 1.041 39.596 38.487 0.112 0.000 1.155 359 N HN 0.606 nan 8.380 nan 0.000 0.467 360 T N -0.843 113.742 114.554 0.052 0.000 2.916 360 T HA 0.551 4.902 4.350 0.001 0.000 0.292 360 T C -1.134 173.547 174.700 -0.031 0.000 1.055 360 T CA -0.880 61.232 62.100 0.019 0.000 1.009 360 T CB 1.359 70.219 68.868 -0.013 0.000 1.118 360 T HN 0.154 nan 8.240 nan 0.000 0.497 361 L N 2.634 123.836 121.223 -0.036 0.000 2.436 361 L HA 0.575 4.916 4.340 0.001 0.000 0.268 361 L C -1.013 175.893 176.870 0.060 0.000 0.974 361 L CA -0.420 54.380 54.840 -0.068 0.000 0.826 361 L CB 1.688 43.644 42.059 -0.172 0.000 1.291 361 L HN 1.162 nan 8.230 nan 0.000 0.406 362 Q N 3.451 123.288 119.800 0.062 0.000 2.511 362 Q HA 0.583 4.923 4.340 0.001 0.000 0.289 362 Q C -1.967 174.089 176.000 0.093 0.000 1.021 362 Q CA -1.026 54.783 55.803 0.010 0.000 0.785 362 Q CB 3.173 31.922 28.738 0.019 0.000 1.472 362 Q HN 0.460 nan 8.270 nan 0.000 0.411 363 L N 1.300 122.453 121.223 -0.117 0.000 2.307 363 L HA 0.520 4.861 4.340 0.001 0.000 0.284 363 L C -1.103 175.718 176.870 -0.082 0.000 1.023 363 L CA -0.133 54.665 54.840 -0.069 0.000 0.810 363 L CB 1.375 43.223 42.059 -0.350 0.000 1.231 363 L HN 0.691 nan 8.230 nan 0.000 0.423 364 H N 1.501 120.527 119.070 -0.073 0.000 2.797 364 H HA 0.262 4.818 4.556 0.001 0.000 0.372 364 H C -1.342 174.037 175.328 0.085 0.000 1.168 364 H CA -0.923 55.117 56.048 -0.013 0.000 1.163 364 H CB 2.221 31.987 29.762 0.007 0.000 1.778 364 H HN 0.560 nan 8.280 nan 0.000 0.551 365 D N 1.249 121.767 120.400 0.197 0.000 2.351 365 D HA -0.023 4.617 4.640 0.001 0.000 0.251 365 D C 0.963 177.359 176.300 0.160 0.000 1.137 365 D CA -0.409 53.715 54.000 0.208 0.000 0.879 365 D CB 1.069 41.947 40.800 0.130 0.000 1.181 365 D HN 0.284 nan 8.370 nan 0.000 0.448 366 L N 4.886 126.187 121.223 0.130 0.000 2.046 366 L HA -0.004 4.337 4.340 0.001 0.000 0.208 366 L C 1.932 178.823 176.870 0.035 0.000 1.077 366 L CA 2.311 57.187 54.840 0.059 0.000 0.747 366 L CB -0.841 41.228 42.059 0.015 0.000 0.896 366 L HN 0.590 nan 8.230 nan 0.000 0.432 367 A N -1.444 121.396 122.820 0.034 0.000 1.930 367 A HA -0.153 4.167 4.320 0.001 0.000 0.217 367 A C 2.223 179.829 177.584 0.036 0.000 1.175 367 A CA 2.203 54.253 52.037 0.022 0.000 0.627 367 A CB -0.955 18.054 19.000 0.015 0.000 0.815 367 A HN 0.610 nan 8.150 nan 0.000 0.443 368 T N -6.167 108.418 114.554 0.052 0.000 2.971 368 T HA 0.430 4.780 4.350 0.001 0.000 0.252 368 T C 1.448 176.194 174.700 0.078 0.000 1.022 368 T CA 1.080 63.214 62.100 0.057 0.000 0.980 368 T CB 0.381 69.278 68.868 0.048 0.000 1.044 368 T HN 1.694 nan 8.240 nan 0.000 0.501 369 G N 1.824 110.686 108.800 0.104 0.000 2.184 369 G HA2 -0.086 3.875 3.960 0.001 0.000 0.264 369 G HA3 -0.086 3.875 3.960 0.001 0.000 0.264 369 G C 0.385 175.432 174.900 0.245 0.000 0.975 369 G CA 0.025 45.222 45.100 0.161 0.000 0.642 369 G HN 1.266 nan 8.290 nan 0.000 0.536 370 A N -0.067 122.826 122.820 0.123 0.000 2.498 370 A HA 0.589 4.910 4.320 0.001 0.000 0.239 370 A C 0.681 178.171 177.584 -0.156 0.000 1.068 370 A CA 0.365 52.417 52.037 0.025 0.000 0.766 370 A CB 0.469 19.465 19.000 -0.005 0.000 1.003 370 A HN 1.665 nan 8.150 nan 0.000 0.497 371 L N 2.568 123.573 121.223 -0.363 0.000 2.455 371 L HA 0.215 4.555 4.340 0.001 0.000 0.272 371 L C 0.547 177.177 176.870 -0.400 0.000 1.174 371 L CA 0.667 55.079 54.840 -0.715 0.000 0.869 371 L CB 0.117 41.877 42.059 -0.498 0.000 1.130 371 L HN 0.728 nan 8.230 nan 0.000 0.474 372 L N 2.845 123.819 121.223 -0.415 0.000 2.547 372 L HA 0.365 4.705 4.340 0.001 0.000 0.218 372 L C 0.128 176.796 176.870 -0.335 0.000 1.048 372 L CA -0.085 54.578 54.840 -0.294 0.000 0.859 372 L CB 0.045 41.947 42.059 -0.263 0.000 1.128 372 L HN 0.615 nan 8.230 nan 0.000 0.483 373 K N 0.478 120.615 120.400 -0.437 0.000 2.557 373 K HA 0.490 4.810 4.320 0.001 0.000 0.257 373 K C -1.677 174.559 176.600 -0.606 0.000 0.933 373 K CA -0.237 55.735 56.287 -0.525 0.000 0.820 373 K CB 1.738 33.836 32.500 -0.671 0.000 1.330 373 K HN -0.061 nan 8.250 nan 0.000 0.432 374 I N 4.670 124.945 120.570 -0.492 0.000 2.336 374 I HA 0.379 4.549 4.170 0.001 0.000 0.292 374 I C -0.640 175.205 176.117 -0.452 0.000 0.991 374 I CA -0.763 60.295 61.300 -0.403 0.000 1.227 374 I CB 0.723 38.580 38.000 -0.239 0.000 1.366 374 I HN 0.478 nan 8.210 nan 0.000 0.466 375 F N 7.567 127.410 119.950 -0.180 0.000 2.404 375 F HA 0.333 4.861 4.527 0.001 0.000 0.358 375 F C -1.739 173.947 175.800 -0.190 0.000 1.120 375 F CA -2.498 55.386 58.000 -0.194 0.000 1.144 375 F CB 0.154 38.979 39.000 -0.292 0.000 1.133 375 F HN 0.250 nan 8.300 nan 0.000 0.495 376 P HA 0.250 nan 4.420 nan 0.000 0.271 376 P C -0.898 176.322 177.300 -0.134 0.000 1.220 376 P CA 0.082 63.137 63.100 -0.075 0.000 0.768 376 P CB 1.157 32.816 31.700 -0.069 0.000 0.848 377 L N 2.026 123.173 121.223 -0.128 0.000 2.388 377 L HA 0.380 4.720 4.340 0.001 0.000 0.264 377 L C 0.798 177.544 176.870 -0.207 0.000 0.998 377 L CA -1.152 53.547 54.840 -0.235 0.000 0.817 377 L CB 2.050 44.040 42.059 -0.116 0.000 1.338 377 L HN 0.246 nan 8.230 nan 0.000 0.414 378 E N 1.031 120.993 120.200 -0.398 0.000 2.435 378 E HA 0.116 4.466 4.350 0.001 0.000 0.254 378 E C -0.355 176.339 176.600 0.157 0.000 1.289 378 E CA -0.307 56.018 56.400 -0.125 0.000 0.983 378 E CB 0.881 30.530 29.700 -0.085 0.000 1.010 378 E HN 0.372 nan 8.360 nan 0.000 0.509 379 V N -1.644 118.430 119.914 0.266 0.000 2.479 379 V HA 0.633 4.753 4.120 0.001 0.000 0.281 379 V C 0.578 176.893 176.094 0.368 0.000 1.031 379 V CA 0.717 63.199 62.300 0.303 0.000 1.038 379 V CB 0.007 31.973 31.823 0.238 0.000 0.981 379 V HN 0.766 nan 8.190 nan 0.000 0.478 380 G N 3.723 112.695 108.800 0.286 0.000 2.452 380 G HA2 0.465 4.426 3.960 0.001 0.000 0.224 380 G HA3 0.465 4.426 3.960 0.001 0.000 0.224 380 G C -0.860 173.987 174.900 -0.088 0.000 1.208 380 G CA -0.139 44.897 45.100 -0.107 0.000 0.946 380 G HN 0.964 nan 8.290 nan 0.000 0.481 381 S N -1.166 114.328 115.700 -0.344 0.000 2.542 381 S HA 0.682 5.152 4.470 0.001 0.000 0.293 381 S C -0.506 174.095 174.600 0.002 0.000 1.089 381 S CA -0.496 57.634 58.200 -0.116 0.000 0.961 381 S CB 2.006 65.114 63.200 -0.154 0.000 1.062 381 S HN 0.819 nan 8.310 nan 0.000 0.483 382 V N 3.162 123.187 119.914 0.185 0.000 2.385 382 V HA 0.233 4.353 4.120 0.001 0.000 0.269 382 V C 0.820 177.073 176.094 0.265 0.000 1.043 382 V CA -0.248 62.242 62.300 0.316 0.000 0.906 382 V CB 1.003 33.072 31.823 0.411 0.000 0.995 382 V HN 0.857 nan 8.190 nan 0.000 0.467 383 V N 1.789 121.838 119.914 0.224 0.000 3.477 383 V HA 0.716 4.837 4.120 0.001 0.000 0.297 383 V C 0.601 176.790 176.094 0.157 0.000 1.433 383 V CA 0.496 62.886 62.300 0.149 0.000 1.052 383 V CB 0.295 32.169 31.823 0.086 0.000 0.895 383 V HN 0.823 nan 8.190 nan 0.000 0.438 384 G N -0.471 108.469 108.800 0.234 0.000 2.742 384 G HA2 0.599 4.560 3.960 0.001 0.000 0.296 384 G HA3 0.599 4.560 3.960 0.001 0.000 0.296 384 G C -2.282 172.818 174.900 0.333 0.000 1.436 384 G CA -0.701 44.531 45.100 0.221 0.000 0.928 384 G HN 0.436 nan 8.290 nan 0.000 0.520 385 Y N 1.244 121.601 120.300 0.094 0.000 2.519 385 Y HA 0.700 5.251 4.550 0.001 0.000 0.336 385 Y C -0.646 175.331 175.900 0.128 0.000 1.089 385 Y CA -0.751 57.435 58.100 0.143 0.000 1.025 385 Y CB 2.182 40.606 38.460 -0.060 0.000 1.318 385 Y HN 1.049 nan 8.280 nan 0.000 0.452 386 S N 3.316 118.575 115.700 -0.735 0.000 2.541 386 S HA 0.948 5.418 4.470 0.001 0.000 0.280 386 S C -0.606 173.545 174.600 -0.748 0.000 1.112 386 S CA -0.361 57.517 58.200 -0.537 0.000 0.925 386 S CB 1.681 64.906 63.200 0.043 0.000 1.067 386 S HN 1.936 nan 8.310 nan 0.000 0.479 387 G N 2.621 111.241 108.800 -0.301 0.000 1.968 387 G HA2 0.310 4.270 3.960 0.001 0.000 0.183 387 G HA3 0.310 4.270 3.960 0.001 0.000 0.183 387 G C -1.058 173.965 174.900 0.206 0.000 1.665 387 G CA -0.601 44.510 45.100 0.018 0.000 1.015 387 G HN 0.978 nan 8.290 nan 0.000 0.624 388 Q N 1.756 121.653 119.800 0.162 0.000 2.207 388 Q HA 0.537 4.878 4.340 0.001 0.000 0.237 388 Q C 1.340 177.426 176.000 0.143 0.000 0.998 388 Q CA -0.858 55.046 55.803 0.167 0.000 0.951 388 Q CB 1.783 30.605 28.738 0.141 0.000 1.213 388 Q HN 0.324 nan 8.270 nan 0.000 0.499 389 K N 0.388 120.861 120.400 0.121 0.000 2.113 389 K HA -0.213 4.107 4.320 0.001 0.000 0.208 389 K C 1.831 178.476 176.600 0.075 0.000 1.047 389 K CA 2.244 58.585 56.287 0.089 0.000 0.928 389 K CB -0.003 32.538 32.500 0.070 0.000 0.716 389 K HN 0.648 nan 8.250 nan 0.000 0.446 390 K N -0.305 120.141 120.400 0.077 0.000 2.426 390 K HA 0.025 4.345 4.320 0.001 0.000 0.193 390 K C -0.232 176.402 176.600 0.057 0.000 1.028 390 K CA 0.215 56.537 56.287 0.057 0.000 1.047 390 K CB 0.215 32.745 32.500 0.051 0.000 0.821 390 K HN -0.024 nan 8.250 nan 0.000 0.513 391 D N 2.233 122.680 120.400 0.079 0.000 2.344 391 D HA -0.013 4.627 4.640 0.001 0.000 0.244 391 D C 0.551 176.910 176.300 0.100 0.000 1.134 391 D CA 0.470 54.524 54.000 0.090 0.000 0.930 391 D CB 1.733 42.603 40.800 0.118 0.000 1.175 391 D HN 0.305 nan 8.370 nan 0.000 0.437 392 T N -2.539 112.077 114.554 0.104 0.000 3.182 392 T HA 0.217 4.568 4.350 0.001 0.000 0.277 392 T C 0.202 174.964 174.700 0.103 0.000 1.013 392 T CA -0.528 61.634 62.100 0.102 0.000 0.900 392 T CB 0.037 68.952 68.868 0.080 0.000 1.098 392 T HN 0.570 nan 8.240 nan 0.000 0.543 393 E N 1.042 121.305 120.200 0.104 0.000 2.412 393 E HA 0.625 4.975 4.350 0.001 0.000 0.279 393 E C -1.199 175.410 176.600 0.015 0.000 0.984 393 E CA -1.426 54.978 56.400 0.007 0.000 0.788 393 E CB 1.841 31.564 29.700 0.039 0.000 1.277 393 E HN 0.416 nan 8.360 nan 0.000 0.455 394 I N -1.665 118.830 120.570 -0.126 0.000 2.740 394 I HA 0.711 4.881 4.170 0.001 0.000 0.303 394 I C -1.371 174.605 176.117 -0.236 0.000 1.044 394 I CA -1.189 60.075 61.300 -0.060 0.000 1.064 394 I CB 1.430 39.492 38.000 0.103 0.000 1.249 394 I HN 0.411 nan 8.210 nan 0.000 0.433 395 F N 3.437 123.375 119.950 -0.020 0.000 2.546 395 F HA 0.712 5.239 4.527 0.001 0.000 0.320 395 F C -0.711 175.170 175.800 0.136 0.000 1.076 395 F CA -0.535 57.455 58.000 -0.016 0.000 0.928 395 F CB 2.092 41.060 39.000 -0.055 0.000 1.189 395 F HN 0.536 nan 8.300 nan 0.000 0.465 396 Y N -0.443 120.040 120.300 0.305 0.000 2.552 396 Y HA 0.608 5.158 4.550 0.001 0.000 0.337 396 Y C -1.389 174.749 175.900 0.397 0.000 1.094 396 Y CA -1.401 56.909 58.100 0.350 0.000 1.028 396 Y CB 1.306 39.984 38.460 0.364 0.000 1.321 396 Y HN 0.627 nan 8.280 nan 0.000 0.456 397 Q N 2.892 122.983 119.800 0.486 0.000 2.333 397 Q HA 0.548 4.889 4.340 0.001 0.000 0.267 397 Q C -2.113 174.165 176.000 0.463 0.000 1.012 397 Q CA -0.868 55.167 55.803 0.386 0.000 0.824 397 Q CB 1.761 30.669 28.738 0.283 0.000 1.290 397 Q HN 0.753 nan 8.270 nan 0.000 0.449 398 F N 2.248 122.378 119.950 0.299 0.000 2.480 398 F HA 0.691 5.218 4.527 0.001 0.000 0.329 398 F C -0.720 175.168 175.800 0.147 0.000 1.091 398 F CA -0.137 58.024 58.000 0.269 0.000 0.972 398 F CB 2.164 41.392 39.000 0.379 0.000 1.150 398 F HN 0.499 nan 8.300 nan 0.000 0.467 399 T N 2.929 116.984 114.554 -0.831 0.000 2.864 399 T HA 0.746 5.097 4.350 0.001 0.000 0.299 399 T C -1.213 172.938 174.700 -0.915 0.000 1.166 399 T CA -0.030 61.694 62.100 -0.627 0.000 1.007 399 T CB 1.246 69.975 68.868 -0.232 0.000 1.219 399 T HN 1.037 nan 8.240 nan 0.000 0.506 400 S N 0.737 116.149 115.700 -0.480 0.000 2.727 400 S HA 0.555 5.026 4.470 0.001 0.000 0.278 400 S C 0.024 174.506 174.600 -0.196 0.000 1.186 400 S CA -0.689 57.259 58.200 -0.420 0.000 0.836 400 S CB 0.280 63.368 63.200 -0.186 0.000 1.186 400 S HN 0.438 nan 8.310 nan 0.000 0.499 401 F N 0.406 120.323 119.950 -0.056 0.000 2.293 401 F HA 0.292 4.819 4.527 0.001 0.000 0.300 401 F C 1.717 177.590 175.800 0.121 0.000 1.086 401 F CA 0.986 58.975 58.000 -0.018 0.000 1.375 401 F CB -0.350 38.593 39.000 -0.096 0.000 1.045 401 F HN 0.358 nan 8.300 nan 0.000 0.516 402 L N -1.880 119.527 121.223 0.307 0.000 2.731 402 L HA 0.235 4.576 4.340 0.001 0.000 0.240 402 L C 0.456 177.466 176.870 0.234 0.000 1.120 402 L CA 0.046 55.052 54.840 0.277 0.000 0.913 402 L CB 0.223 42.404 42.059 0.205 0.000 1.213 402 L HN 0.009 nan 8.230 nan 0.000 0.515 403 S N -1.169 114.551 115.700 0.034 0.000 2.536 403 S HA 0.436 4.906 4.470 0.001 0.000 0.271 403 S C -2.437 171.658 174.600 -0.841 0.000 1.134 403 S CA -1.030 56.936 58.200 -0.391 0.000 0.897 403 S CB 1.979 65.107 63.200 -0.122 0.000 1.094 403 S HN -0.254 nan 8.310 nan 0.000 0.473 404 P HA 0.209 nan 4.420 nan 0.000 0.222 404 P C 0.998 178.139 177.300 -0.265 0.000 1.147 404 P CA 1.888 64.491 63.100 -0.828 0.000 0.790 404 P CB -0.356 30.985 31.700 -0.599 0.000 0.780 405 G N -1.059 107.636 108.800 -0.176 0.000 2.466 405 G HA2 -0.062 3.898 3.960 0.001 0.000 0.316 405 G HA3 -0.062 3.898 3.960 0.001 0.000 0.316 405 G C -1.367 173.557 174.900 0.039 0.000 1.270 405 G CA -0.698 44.416 45.100 0.023 0.000 0.982 405 G HN 0.108 nan 8.290 nan 0.000 0.506 406 I N 0.071 120.698 120.570 0.094 0.000 2.656 406 I HA 0.450 4.621 4.170 0.001 0.000 0.292 406 I C -0.290 175.748 176.117 -0.131 0.000 1.144 406 I CA -0.777 60.452 61.300 -0.119 0.000 1.038 406 I CB 2.176 39.973 38.000 -0.338 0.000 1.244 406 I HN 0.471 nan 8.210 nan 0.000 0.420 407 I N 5.696 126.169 120.570 -0.162 0.000 2.336 407 I HA 0.326 4.497 4.170 0.001 0.000 0.292 407 I C -0.931 175.053 176.117 -0.221 0.000 0.991 407 I CA -0.426 60.842 61.300 -0.053 0.000 1.227 407 I CB 0.854 38.929 38.000 0.125 0.000 1.366 407 I HN 0.362 nan 8.210 nan 0.000 0.466 408 Y N 4.543 124.703 120.300 -0.233 0.000 2.457 408 Y HA 0.454 5.005 4.550 0.001 0.000 0.333 408 Y C 0.174 175.826 175.900 -0.413 0.000 1.119 408 Y CA -0.513 57.338 58.100 -0.415 0.000 1.143 408 Y CB 1.241 39.135 38.460 -0.942 0.000 1.230 408 Y HN 0.472 nan 8.280 nan 0.000 0.469 409 H N 1.282 120.183 119.070 -0.282 0.000 2.717 409 H HA 0.549 5.106 4.556 0.001 0.000 0.366 409 H C -1.707 173.424 175.328 -0.328 0.000 1.132 409 H CA -0.735 54.952 56.048 -0.601 0.000 1.180 409 H CB 2.084 31.392 29.762 -0.757 0.000 1.678 409 H HN 0.815 nan 8.280 nan 0.000 0.537 410 C N 5.180 123.957 119.300 -0.871 0.000 2.446 410 C HA 0.179 4.639 4.460 0.001 0.000 0.329 410 C C -0.691 173.927 174.990 -0.619 0.000 1.166 410 C CA -0.687 58.011 59.018 -0.534 0.000 1.341 410 C CB 0.562 28.213 27.740 -0.149 0.000 1.970 410 C HN 0.896 nan 8.230 nan 0.000 0.452 411 D N 4.370 124.497 120.400 -0.455 0.000 2.336 411 D HA 0.221 4.861 4.640 0.001 0.000 0.249 411 D C 0.706 176.980 176.300 -0.044 0.000 1.213 411 D CA -0.052 53.816 54.000 -0.219 0.000 0.870 411 D CB 0.684 41.428 40.800 -0.094 0.000 1.076 411 D HN 0.681 nan 8.370 nan 0.000 0.483 412 L N 3.094 124.337 121.223 0.033 0.000 2.612 412 L HA 0.043 4.383 4.340 0.001 0.000 0.230 412 L C 2.024 179.007 176.870 0.189 0.000 1.140 412 L CA 0.410 55.351 54.840 0.169 0.000 0.896 412 L CB -0.248 41.994 42.059 0.305 0.000 1.065 412 L HN 0.468 nan 8.230 nan 0.000 0.447 413 T N -4.565 110.050 114.554 0.103 0.000 3.081 413 T HA 0.079 4.430 4.350 0.001 0.000 0.255 413 T C 0.991 175.733 174.700 0.070 0.000 1.113 413 T CA -0.160 61.989 62.100 0.081 0.000 1.082 413 T CB 0.134 69.035 68.868 0.055 0.000 0.939 413 T HN -0.090 nan 8.240 nan 0.000 0.506 414 K N 1.955 122.394 120.400 0.066 0.000 2.185 414 K HA 0.272 4.592 4.320 0.001 0.000 0.271 414 K C 1.124 177.758 176.600 0.057 0.000 1.013 414 K CA -0.370 55.946 56.287 0.048 0.000 0.943 414 K CB 1.032 33.550 32.500 0.030 0.000 0.998 414 K HN 0.113 nan 8.250 nan 0.000 0.468 415 E N 1.324 121.549 120.200 0.040 0.000 2.077 415 E HA -0.127 4.224 4.350 0.001 0.000 0.193 415 E C -0.195 176.420 176.600 0.025 0.000 0.989 415 E CA 1.333 57.755 56.400 0.037 0.000 0.800 415 E CB 0.308 30.022 29.700 0.023 0.000 0.746 415 E HN 0.389 nan 8.360 nan 0.000 0.452 416 E N 0.967 121.174 120.200 0.012 0.000 2.109 416 E HA 0.268 4.619 4.350 0.001 0.000 0.278 416 E C -0.240 176.360 176.600 0.001 0.000 0.954 416 E CA -0.355 56.043 56.400 -0.004 0.000 0.779 416 E CB 1.066 30.761 29.700 -0.008 0.000 1.093 416 E HN 0.098 nan 8.360 nan 0.000 0.401 417 L N 2.977 124.194 121.223 -0.011 0.000 2.369 417 L HA 0.176 4.517 4.340 0.001 0.000 0.279 417 L C 0.575 177.459 176.870 0.023 0.000 1.108 417 L CA 0.306 55.153 54.840 0.011 0.000 0.852 417 L CB 0.253 42.310 42.059 -0.004 0.000 1.169 417 L HN 0.280 nan 8.230 nan 0.000 0.452 418 E N 5.135 125.354 120.200 0.033 0.000 2.346 418 E HA 0.292 4.642 4.350 0.001 0.000 0.239 418 E C -2.381 174.248 176.600 0.048 0.000 0.943 418 E CA -1.896 54.526 56.400 0.036 0.000 0.751 418 E CB 1.291 31.002 29.700 0.018 0.000 1.241 418 E HN 0.349 nan 8.360 nan 0.000 0.423 419 P HA 0.110 nan 4.420 nan 0.000 0.271 419 P C -0.614 176.752 177.300 0.111 0.000 1.216 419 P CA -0.024 63.133 63.100 0.095 0.000 0.776 419 P CB 0.777 32.579 31.700 0.170 0.000 0.881 420 R N 1.083 121.655 120.500 0.120 0.000 2.744 420 R HA 0.470 4.810 4.340 0.001 0.000 0.279 420 R C -0.977 175.413 176.300 0.151 0.000 0.977 420 R CA -1.260 54.920 56.100 0.132 0.000 0.906 420 R CB 1.768 32.119 30.300 0.086 0.000 1.197 420 R HN 0.161 nan 8.270 nan 0.000 0.463 421 V N 3.455 123.405 119.914 0.059 0.000 2.540 421 V HA -0.056 4.064 4.120 0.001 0.000 0.297 421 V C 0.435 176.498 176.094 -0.052 0.000 1.024 421 V CA 0.896 63.127 62.300 -0.116 0.000 1.105 421 V CB 0.246 31.971 31.823 -0.162 0.000 0.938 421 V HN 0.688 nan 8.190 nan 0.000 0.482 422 F N 5.352 125.166 119.950 -0.227 0.000 2.453 422 F HA 0.364 4.891 4.527 0.001 0.000 0.284 422 F C 1.231 176.861 175.800 -0.283 0.000 1.065 422 F CA 0.413 58.285 58.000 -0.213 0.000 1.411 422 F CB 0.432 39.358 39.000 -0.123 0.000 1.131 422 F HN 0.328 nan 8.300 nan 0.000 0.582 423 R N 0.676 121.063 120.500 -0.189 0.000 2.604 423 R HA 0.401 4.741 4.340 0.001 0.000 0.281 423 R C -1.431 174.745 176.300 -0.207 0.000 1.020 423 R CA -0.699 55.213 56.100 -0.312 0.000 0.899 423 R CB 2.306 32.390 30.300 -0.361 0.000 1.205 423 R HN 0.065 nan 8.270 nan 0.000 0.450 424 E N 2.462 122.549 120.200 -0.188 0.000 2.287 424 E HA 0.277 4.627 4.350 0.001 0.000 0.274 424 E C -1.383 175.174 176.600 -0.073 0.000 0.896 424 E CA -0.748 55.578 56.400 -0.123 0.000 0.788 424 E CB 2.060 31.675 29.700 -0.141 0.000 1.244 424 E HN 0.425 nan 8.360 nan 0.000 0.408 425 V N 1.119 121.019 119.914 -0.024 0.000 2.513 425 V HA 0.712 4.833 4.120 0.001 0.000 0.299 425 V C -0.269 175.780 176.094 -0.075 0.000 1.035 425 V CA -0.396 61.908 62.300 0.007 0.000 0.889 425 V CB 1.676 33.582 31.823 0.138 0.000 0.988 425 V HN 0.574 nan 8.190 nan 0.000 0.440 426 T N 3.687 118.199 114.554 -0.070 0.000 2.855 426 T HA 0.569 4.920 4.350 0.001 0.000 0.281 426 T C -0.364 174.269 174.700 -0.112 0.000 1.007 426 T CA -0.296 61.740 62.100 -0.106 0.000 1.009 426 T CB 1.641 70.473 68.868 -0.059 0.000 0.983 426 T HN 0.710 nan 8.240 nan 0.000 0.455 427 V N 5.518 125.334 119.914 -0.163 0.000 2.368 427 V HA 0.245 4.366 4.120 0.001 0.000 0.266 427 V C 0.546 176.635 176.094 -0.009 0.000 1.045 427 V CA -0.609 61.621 62.300 -0.115 0.000 0.899 427 V CB 0.531 32.256 31.823 -0.163 0.000 1.006 427 V HN 0.705 nan 8.190 nan 0.000 0.470 428 K N 3.676 124.090 120.400 0.024 0.000 2.368 428 K HA 0.462 4.783 4.320 0.001 0.000 0.282 428 K C 1.194 177.831 176.600 0.063 0.000 1.035 428 K CA 0.652 56.964 56.287 0.041 0.000 0.973 428 K CB 0.980 33.507 32.500 0.043 0.000 0.957 428 K HN 0.990 nan 8.250 nan 0.000 0.474 429 G N 2.325 111.164 108.800 0.065 0.000 2.339 429 G HA2 -0.175 3.786 3.960 0.001 0.000 0.209 429 G HA3 -0.175 3.786 3.960 0.001 0.000 0.209 429 G C -0.031 174.926 174.900 0.094 0.000 1.015 429 G CA -0.619 44.533 45.100 0.087 0.000 0.635 429 G HN 0.468 nan 8.290 nan 0.000 0.499 430 I N 1.986 122.612 120.570 0.094 0.000 2.378 430 I HA 0.439 4.609 4.170 0.001 0.000 0.291 430 I C -1.187 175.010 176.117 0.133 0.000 0.992 430 I CA -0.840 60.538 61.300 0.131 0.000 1.154 430 I CB 1.572 39.645 38.000 0.122 0.000 1.315 430 I HN 0.118 nan 8.210 nan 0.000 0.448 431 D N 5.298 125.797 120.400 0.165 0.000 2.443 431 D HA 0.427 5.067 4.640 0.001 0.000 0.221 431 D C 0.966 177.371 176.300 0.175 0.000 1.097 431 D CA -0.338 53.722 54.000 0.101 0.000 0.865 431 D CB 1.777 42.583 40.800 0.011 0.000 1.034 431 D HN 0.635 nan 8.370 nan 0.000 0.511 432 A N 2.861 125.787 122.820 0.177 0.000 1.986 432 A HA -0.177 4.143 4.320 0.001 0.000 0.220 432 A C 2.094 179.777 177.584 0.165 0.000 1.171 432 A CA 1.541 53.717 52.037 0.232 0.000 0.640 432 A CB -0.227 18.859 19.000 0.143 0.000 0.811 432 A HN 0.538 nan 8.150 nan 0.000 0.451 433 S N 0.105 115.835 115.700 0.050 0.000 2.474 433 S HA -0.094 4.376 4.470 0.001 0.000 0.235 433 S C 1.119 175.652 174.600 -0.112 0.000 0.997 433 S CA 1.063 59.256 58.200 -0.012 0.000 0.949 433 S CB -0.280 62.909 63.200 -0.019 0.000 0.766 433 S HN 0.600 nan 8.310 nan 0.000 0.517 434 D N 0.007 120.239 120.400 -0.281 0.000 2.317 434 D HA 0.070 4.711 4.640 0.001 0.000 0.211 434 D C -0.180 175.696 176.300 -0.706 0.000 0.966 434 D CA 0.741 54.395 54.000 -0.575 0.000 0.876 434 D CB 0.135 40.397 40.800 -0.896 0.000 0.927 434 D HN 0.408 nan 8.370 nan 0.000 0.519 435 Y N 0.134 120.415 120.300 -0.031 0.000 2.587 435 Y HA 0.395 4.946 4.550 0.001 0.000 0.337 435 Y C 0.514 176.367 175.900 -0.078 0.000 1.065 435 Y CA -1.206 56.857 58.100 -0.061 0.000 1.126 435 Y CB 1.210 39.641 38.460 -0.049 0.000 1.279 435 Y HN -0.273 nan 8.280 nan 0.000 0.489 436 Q N -0.621 119.171 119.800 -0.014 0.000 2.421 436 Q HA 0.747 5.087 4.340 0.001 0.000 0.280 436 Q C -1.693 174.234 176.000 -0.120 0.000 1.085 436 Q CA -1.074 54.688 55.803 -0.068 0.000 0.807 436 Q CB 2.369 31.044 28.738 -0.106 0.000 1.405 436 Q HN 0.593 nan 8.270 nan 0.000 0.419 437 T N 1.652 116.208 114.554 0.003 0.000 2.792 437 T HA 0.554 4.904 4.350 0.001 0.000 0.280 437 T C -0.542 174.232 174.700 0.124 0.000 0.990 437 T CA -0.561 61.572 62.100 0.054 0.000 0.960 437 T CB 1.272 70.244 68.868 0.173 0.000 0.939 437 T HN 0.566 nan 8.240 nan 0.000 0.439 438 V N 1.928 121.930 119.914 0.146 0.000 2.769 438 V HA 0.729 4.850 4.120 0.001 0.000 0.312 438 V C -0.771 175.444 176.094 0.201 0.000 1.061 438 V CA -1.087 61.325 62.300 0.186 0.000 0.931 438 V CB 1.980 33.921 31.823 0.197 0.000 1.010 438 V HN 0.854 nan 8.190 nan 0.000 0.433 439 Q N 2.636 122.516 119.800 0.133 0.000 2.322 439 Q HA 0.733 5.073 4.340 0.001 0.000 0.265 439 Q C -1.098 174.794 176.000 -0.179 0.000 0.985 439 Q CA -0.766 54.977 55.803 -0.101 0.000 0.849 439 Q CB 1.851 30.490 28.738 -0.166 0.000 1.274 439 Q HN 0.964 nan 8.270 nan 0.000 0.449 440 I N -0.472 119.891 120.570 -0.346 0.000 3.067 440 I HA 0.678 4.848 4.170 0.001 0.000 0.312 440 I C -1.458 174.278 176.117 -0.634 0.000 1.073 440 I CA -0.840 60.297 61.300 -0.272 0.000 1.016 440 I CB 1.494 39.434 38.000 -0.099 0.000 1.227 440 I HN 0.395 nan 8.210 nan 0.000 0.456 441 F N 2.921 122.829 119.950 -0.071 0.000 2.493 441 F HA 0.633 5.161 4.527 0.001 0.000 0.329 441 F C -0.694 175.058 175.800 -0.079 0.000 1.126 441 F CA -0.530 57.403 58.000 -0.111 0.000 0.937 441 F CB 1.602 40.541 39.000 -0.101 0.000 1.146 441 F HN 0.548 nan 8.300 nan 0.000 0.442 442 Y N 1.911 122.187 120.300 -0.040 0.000 2.468 442 Y HA 0.843 5.393 4.550 0.001 0.000 0.342 442 Y C -3.158 172.785 175.900 0.073 0.000 1.021 442 Y CA -3.832 54.256 58.100 -0.021 0.000 1.079 442 Y CB 1.267 39.610 38.460 -0.194 0.000 1.226 442 Y HN 0.260 nan 8.280 nan 0.000 0.460 443 P HA 0.133 nan 4.420 nan 0.000 0.285 443 P C -0.341 177.064 177.300 0.175 0.000 1.259 443 P CA -0.126 63.034 63.100 0.099 0.000 0.794 443 P CB 1.998 33.767 31.700 0.115 0.000 0.940 444 S N 1.813 117.552 115.700 0.064 0.000 2.652 444 S HA 0.130 4.601 4.470 0.001 0.000 0.267 444 S C 1.555 176.199 174.600 0.074 0.000 1.201 444 S CA -0.514 57.750 58.200 0.106 0.000 0.996 444 S CB 0.307 63.520 63.200 0.021 0.000 1.054 444 S HN 0.481 nan 8.310 nan 0.000 0.561 445 K N 0.341 120.778 120.400 0.061 0.000 2.074 445 K HA -0.182 4.138 4.320 0.001 0.000 0.209 445 K C 0.893 177.504 176.600 0.017 0.000 1.048 445 K CA 2.205 58.516 56.287 0.040 0.000 0.926 445 K CB -0.380 32.138 32.500 0.030 0.000 0.713 445 K HN 0.736 nan 8.250 nan 0.000 0.444 446 D N -1.817 118.580 120.400 -0.005 0.000 2.328 446 D HA 0.069 4.710 4.640 0.001 0.000 0.221 446 D C 0.977 177.268 176.300 -0.015 0.000 1.072 446 D CA 0.707 54.696 54.000 -0.019 0.000 0.850 446 D CB 0.425 41.198 40.800 -0.044 0.000 0.922 446 D HN 0.432 nan 8.370 nan 0.000 0.516 447 G N -0.489 108.311 108.800 -0.001 0.000 2.195 447 G HA2 -0.273 3.688 3.960 0.001 0.000 0.246 447 G HA3 -0.273 3.688 3.960 0.001 0.000 0.246 447 G C 0.474 175.368 174.900 -0.010 0.000 0.984 447 G CA 0.240 45.342 45.100 0.004 0.000 0.633 447 G HN 0.452 nan 8.290 nan 0.000 0.525 448 T N 3.154 117.691 114.554 -0.028 0.000 2.902 448 T HA 0.394 4.745 4.350 0.001 0.000 0.301 448 T C 0.467 175.148 174.700 -0.031 0.000 1.012 448 T CA 0.244 62.327 62.100 -0.029 0.000 1.151 448 T CB 0.898 69.728 68.868 -0.064 0.000 0.946 448 T HN 0.171 nan 8.240 nan 0.000 0.542 449 K N 3.816 124.210 120.400 -0.011 0.000 2.297 449 K HA 0.333 4.653 4.320 0.001 0.000 0.286 449 K C -0.166 176.452 176.600 0.031 0.000 1.053 449 K CA -0.433 55.836 56.287 -0.029 0.000 0.940 449 K CB 0.752 33.236 32.500 -0.027 0.000 1.019 449 K HN 0.417 nan 8.250 nan 0.000 0.475 450 I N 5.150 125.579 120.570 -0.236 0.000 2.404 450 I HA 0.312 4.483 4.170 0.001 0.000 0.293 450 I C -2.308 173.680 176.117 -0.215 0.000 0.992 450 I CA -3.210 57.984 61.300 -0.177 0.000 1.149 450 I CB 1.285 38.903 38.000 -0.636 0.000 1.315 450 I HN 0.171 nan 8.210 nan 0.000 0.446 451 P HA 0.391 nan 4.420 nan 0.000 0.275 451 P C -0.737 176.409 177.300 -0.256 0.000 1.228 451 P CA -0.467 62.396 63.100 -0.396 0.000 0.786 451 P CB 0.942 32.452 31.700 -0.317 0.000 0.927 452 M N 2.667 122.025 119.600 -0.404 0.000 2.378 452 M HA 0.489 4.969 4.480 0.001 0.000 0.289 452 M C -1.783 174.323 176.300 -0.323 0.000 1.136 452 M CA -0.668 54.508 55.300 -0.207 0.000 0.917 452 M CB 1.248 33.831 32.600 -0.027 0.000 1.669 452 M HN -0.007 nan 8.290 nan 0.000 0.461 453 F N 4.915 124.856 119.950 -0.016 0.000 2.394 453 F HA 0.612 5.140 4.527 0.001 0.000 0.340 453 F C -0.220 175.503 175.800 -0.128 0.000 1.105 453 F CA -0.274 57.703 58.000 -0.038 0.000 1.124 453 F CB 1.039 40.072 39.000 0.054 0.000 1.145 453 F HN 0.366 nan 8.300 nan 0.000 0.505 454 I N 3.407 124.020 120.570 0.072 0.000 2.466 454 I HA 0.452 4.622 4.170 0.001 0.000 0.289 454 I C -1.223 174.874 176.117 -0.033 0.000 1.026 454 I CA -0.911 60.372 61.300 -0.028 0.000 1.078 454 I CB 2.008 39.939 38.000 -0.115 0.000 1.249 454 I HN 0.135 nan 8.210 nan 0.000 0.429 455 V N 5.665 125.523 119.914 -0.093 0.000 2.448 455 V HA 0.569 4.689 4.120 0.001 0.000 0.295 455 V C -0.777 175.335 176.094 0.031 0.000 1.025 455 V CA -0.477 61.743 62.300 -0.133 0.000 0.859 455 V CB 1.420 33.073 31.823 -0.283 0.000 0.988 455 V HN 0.960 nan 8.190 nan 0.000 0.431 456 H N 1.559 120.671 119.070 0.070 0.000 2.981 456 H HA 0.578 5.134 4.556 0.001 0.000 0.327 456 H C -0.696 174.739 175.328 0.179 0.000 1.342 456 H CA -1.189 54.916 56.048 0.095 0.000 1.123 456 H CB 1.200 31.014 29.762 0.087 0.000 1.851 456 H HN 0.470 nan 8.280 nan 0.000 0.531 457 K N 1.560 122.161 120.400 0.335 0.000 2.448 457 K HA 0.084 4.404 4.320 0.001 0.000 0.278 457 K C -0.505 176.216 176.600 0.202 0.000 1.009 457 K CA -0.364 56.036 56.287 0.190 0.000 0.995 457 K CB 0.442 32.983 32.500 0.069 0.000 0.917 457 K HN 0.604 nan 8.250 nan 0.000 0.481 458 K N 1.733 122.151 120.400 0.030 0.000 2.485 458 K HA -0.012 4.309 4.320 0.001 0.000 0.277 458 K C 0.810 177.446 176.600 0.061 0.000 0.990 458 K CA 1.019 57.344 56.287 0.062 0.000 0.994 458 K CB 0.346 32.834 32.500 -0.021 0.000 0.906 458 K HN 0.939 nan 8.250 nan 0.000 0.488 459 G N 2.205 111.057 108.800 0.086 0.000 2.162 459 G HA2 -0.278 3.683 3.960 0.001 0.000 0.260 459 G HA3 -0.278 3.683 3.960 0.001 0.000 0.260 459 G C 0.299 175.201 174.900 0.003 0.000 0.976 459 G CA 0.417 45.536 45.100 0.032 0.000 0.655 459 G HN 0.736 nan 8.290 nan 0.000 0.533 460 I N -1.708 118.850 120.570 -0.020 0.000 2.813 460 I HA 0.533 4.703 4.170 0.001 0.000 0.287 460 I C 0.494 176.570 176.117 -0.067 0.000 1.196 460 I CA -0.308 60.940 61.300 -0.086 0.000 1.421 460 I CB 0.459 38.273 38.000 -0.311 0.000 1.365 460 I HN -0.030 nan 8.210 nan 0.000 0.591 461 K N 5.456 125.875 120.400 0.031 0.000 2.234 461 K HA 0.414 4.735 4.320 0.001 0.000 0.282 461 K C -0.493 176.132 176.600 0.042 0.000 1.039 461 K CA -0.398 55.899 56.287 0.018 0.000 0.928 461 K CB 1.227 33.740 32.500 0.022 0.000 1.039 461 K HN 0.568 nan 8.250 nan 0.000 0.470 462 L N 4.622 125.785 121.223 -0.101 0.000 2.480 462 L HA 0.059 4.400 4.340 0.001 0.000 0.243 462 L C 0.182 176.976 176.870 -0.127 0.000 1.315 462 L CA -0.046 54.679 54.840 -0.192 0.000 1.231 462 L CB -0.558 41.283 42.059 -0.364 0.000 1.444 462 L HN 0.719 nan 8.230 nan 0.000 0.409 463 D N -0.872 119.479 120.400 -0.081 0.000 2.402 463 D HA 0.104 4.745 4.640 0.001 0.000 0.216 463 D C 1.291 177.517 176.300 -0.122 0.000 1.128 463 D CA 0.219 54.157 54.000 -0.102 0.000 0.833 463 D CB 0.693 41.434 40.800 -0.099 0.000 0.971 463 D HN 0.344 nan 8.370 nan 0.000 0.503 464 G N 0.661 109.395 108.800 -0.110 0.000 2.162 464 G HA2 -0.358 3.602 3.960 0.001 0.000 0.260 464 G HA3 -0.358 3.602 3.960 0.001 0.000 0.260 464 G C 1.077 175.894 174.900 -0.137 0.000 0.976 464 G CA 0.779 45.830 45.100 -0.081 0.000 0.655 464 G HN 0.705 nan 8.290 nan 0.000 0.533 465 S N -0.334 115.160 115.700 -0.344 0.000 2.558 465 S HA 0.209 4.679 4.470 0.001 0.000 0.217 465 S C 0.783 175.172 174.600 -0.352 0.000 0.975 465 S CA 0.142 58.122 58.200 -0.368 0.000 0.912 465 S CB 0.020 62.969 63.200 -0.419 0.000 0.776 465 S HN 0.615 nan 8.310 nan 0.000 0.526 466 H N 2.596 121.682 119.070 0.027 0.000 2.487 466 H HA 0.447 5.003 4.556 0.001 0.000 0.333 466 H C -2.891 172.495 175.328 0.096 0.000 1.114 466 H CA -2.349 53.724 56.048 0.042 0.000 1.310 466 H CB 0.400 30.189 29.762 0.044 0.000 1.462 466 H HN 0.174 nan 8.280 nan 0.000 0.516 467 P HA 0.184 nan 4.420 nan 0.000 0.268 467 P C -0.776 176.783 177.300 0.432 0.000 1.205 467 P CA -0.061 63.220 63.100 0.302 0.000 0.771 467 P CB 0.720 32.591 31.700 0.284 0.000 0.858 468 A N 2.686 125.810 122.820 0.507 0.000 2.454 468 A HA 0.757 5.077 4.320 0.001 0.000 0.302 468 A C -1.760 176.137 177.584 0.523 0.000 1.079 468 A CA -0.506 51.848 52.037 0.528 0.000 0.731 468 A CB 1.055 20.248 19.000 0.321 0.000 1.299 468 A HN 0.451 nan 8.150 nan 0.000 0.413 469 F N 1.999 122.119 119.950 0.284 0.000 2.553 469 F HA 0.600 5.128 4.527 0.001 0.000 0.335 469 F C -1.254 174.621 175.800 0.126 0.000 1.148 469 F CA -0.872 57.160 58.000 0.053 0.000 0.963 469 F CB 1.592 40.430 39.000 -0.271 0.000 1.217 469 F HN 0.491 nan 8.300 nan 0.000 0.441 470 L N 8.215 129.398 121.223 -0.066 0.000 2.305 470 L HA 0.491 4.832 4.340 0.001 0.000 0.284 470 L C -1.969 174.964 176.870 0.104 0.000 1.013 470 L CA -0.652 54.210 54.840 0.036 0.000 0.819 470 L CB 0.910 42.915 42.059 -0.092 0.000 1.227 470 L HN 0.615 nan 8.230 nan 0.000 0.417 471 Y N 4.181 124.585 120.300 0.173 0.000 2.409 471 Y HA 0.832 5.382 4.550 0.001 0.000 0.339 471 Y C 0.102 176.230 175.900 0.380 0.000 1.033 471 Y CA -0.048 58.188 58.100 0.228 0.000 1.094 471 Y CB 1.973 40.587 38.460 0.257 0.000 1.210 471 Y HN 0.754 nan 8.280 nan 0.000 0.456 472 G N 3.242 111.731 108.800 -0.519 0.000 2.692 472 G HA2 0.311 4.272 3.960 0.001 0.000 0.291 472 G HA3 0.311 4.272 3.960 0.001 0.000 0.291 472 G C -2.025 172.488 174.900 -0.645 0.000 1.423 472 G CA -0.447 44.396 45.100 -0.429 0.000 0.843 472 G HN 0.665 nan 8.290 nan 0.000 0.486 473 Y N 0.256 120.315 120.300 -0.402 0.000 3.213 473 Y HA 0.481 5.031 4.550 0.001 0.000 0.168 473 Y C 1.498 177.273 175.900 -0.208 0.000 0.880 473 Y CA 1.477 59.409 58.100 -0.280 0.000 1.806 473 Y CB 0.579 38.982 38.460 -0.094 0.000 1.369 473 Y HN 1.664 nan 8.280 nan 0.000 0.377 474 G N 0.930 109.714 108.800 -0.027 0.000 2.638 474 G HA2 0.345 4.306 3.960 0.001 0.000 0.269 474 G HA3 0.345 4.306 3.960 0.001 0.000 0.269 474 G C -0.077 174.668 174.900 -0.259 0.000 1.141 474 G CA 0.354 45.364 45.100 -0.150 0.000 1.081 474 G HN 1.326 nan 8.290 nan 0.000 0.527 475 G N -1.487 107.270 108.800 -0.072 0.000 2.368 475 G HA2 0.645 4.605 3.960 0.001 0.000 0.293 475 G HA3 0.645 4.605 3.960 0.001 0.000 0.293 475 G C -0.009 174.974 174.900 0.138 0.000 1.467 475 G CA 0.240 45.243 45.100 -0.162 0.000 0.804 475 G HN 1.413 nan 8.290 nan 0.000 0.535 476 F N 0.008 119.942 119.950 -0.025 0.000 3.034 476 F HA -0.252 4.276 4.527 0.001 0.000 0.286 476 F C 1.284 176.916 175.800 -0.280 0.000 0.804 476 F CA 1.212 59.131 58.000 -0.135 0.000 1.161 476 F CB -1.549 37.431 39.000 -0.032 0.000 1.317 476 F HN 0.936 nan 8.300 nan 0.000 0.453 477 N N -0.491 117.999 118.700 -0.351 0.000 2.741 477 N HA -0.224 4.516 4.740 0.001 0.000 0.251 477 N C -0.412 175.096 175.510 -0.003 0.000 1.112 477 N CA 0.454 53.358 53.050 -0.244 0.000 0.750 477 N CB -0.431 37.826 38.487 -0.384 0.000 1.119 477 N HN 0.226 nan 8.380 nan 0.000 0.561 478 I N 1.624 122.256 120.570 0.103 0.000 2.371 478 I HA 0.135 4.305 4.170 0.001 0.000 0.290 478 I C 0.686 176.868 176.117 0.107 0.000 1.028 478 I CA 0.199 61.547 61.300 0.080 0.000 1.345 478 I CB 1.384 39.398 38.000 0.022 0.000 1.407 478 I HN -0.026 nan 8.210 nan 0.000 0.501 479 S N 6.829 122.565 115.700 0.059 0.000 2.499 479 S HA 0.476 4.947 4.470 0.001 0.000 0.279 479 S C 0.153 174.807 174.600 0.088 0.000 1.219 479 S CA -0.553 57.691 58.200 0.074 0.000 1.062 479 S CB 1.146 64.355 63.200 0.016 0.000 0.978 479 S HN 0.255 nan 8.310 nan 0.000 0.489 480 I N 4.789 125.454 120.570 0.158 0.000 2.269 480 I HA 0.200 4.370 4.170 0.001 0.000 0.293 480 I C 1.030 177.285 176.117 0.230 0.000 1.106 480 I CA -0.197 61.226 61.300 0.204 0.000 1.248 480 I CB -0.668 37.526 38.000 0.323 0.000 1.444 480 I HN 0.604 nan 8.210 nan 0.000 0.497 481 T N 4.251 118.874 114.554 0.114 0.000 2.948 481 T HA 0.624 4.974 4.350 0.001 0.000 0.285 481 T C -2.724 171.851 174.700 -0.208 0.000 1.019 481 T CA -2.340 59.790 62.100 0.051 0.000 1.013 481 T CB 1.614 70.487 68.868 0.007 0.000 1.117 481 T HN 0.135 nan 8.240 nan 0.000 0.533 482 P HA 0.250 nan 4.420 nan 0.000 0.265 482 P C -0.804 176.015 177.300 -0.803 0.000 1.193 482 P CA 0.025 62.322 63.100 -1.338 0.000 0.765 482 P CB 0.073 30.931 31.700 -1.403 0.000 0.823 483 N N 0.769 119.022 118.700 -0.745 0.000 2.494 483 N HA 0.365 5.105 4.740 0.001 0.000 0.270 483 N C -1.843 173.610 175.510 -0.095 0.000 1.285 483 N CA -1.000 51.878 53.050 -0.286 0.000 0.812 483 N CB 0.849 39.254 38.487 -0.137 0.000 1.557 483 N HN 0.181 nan 8.380 nan 0.000 0.487 484 Y N 0.671 120.908 120.300 -0.105 0.000 2.341 484 Y HA 0.573 5.124 4.550 0.001 0.000 0.340 484 Y C -0.550 175.379 175.900 0.049 0.000 0.997 484 Y CA -0.313 57.778 58.100 -0.015 0.000 1.149 484 Y CB 1.118 39.573 38.460 -0.008 0.000 1.171 484 Y HN 0.677 nan 8.280 nan 0.000 0.494 485 S N 5.603 121.017 115.700 -0.476 0.000 2.774 485 S HA 0.327 4.798 4.470 0.001 0.000 0.297 485 S C 0.207 174.478 174.600 -0.548 0.000 1.143 485 S CA -0.698 57.284 58.200 -0.364 0.000 1.090 485 S CB 0.725 63.816 63.200 -0.183 0.000 1.019 485 S HN 0.647 nan 8.310 nan 0.000 0.482 486 V N 4.928 124.572 119.914 -0.449 0.000 2.407 486 V HA -0.150 3.970 4.120 0.001 0.000 0.248 486 V C 2.743 178.703 176.094 -0.223 0.000 1.055 486 V CA 2.522 64.654 62.300 -0.280 0.000 1.049 486 V CB -0.964 30.892 31.823 0.055 0.000 0.662 486 V HN 0.990 nan 8.190 nan 0.000 0.455 487 S N 0.681 116.266 115.700 -0.192 0.000 2.370 487 S HA -0.273 4.197 4.470 0.001 0.000 0.226 487 S C 2.062 176.488 174.600 -0.291 0.000 1.033 487 S CA 1.594 59.719 58.200 -0.125 0.000 1.011 487 S CB -0.513 62.698 63.200 0.019 0.000 0.852 487 S HN 0.594 nan 8.310 nan 0.000 0.457 488 R N 0.922 121.259 120.500 -0.273 0.000 2.092 488 R HA 0.203 4.544 4.340 0.001 0.000 0.231 488 R C 2.401 178.565 176.300 -0.228 0.000 1.119 488 R CA 1.322 57.243 56.100 -0.299 0.000 0.970 488 R CB -0.637 29.535 30.300 -0.213 0.000 0.864 488 R HN 0.412 nan 8.270 nan 0.000 0.440 489 L N 0.421 121.483 121.223 -0.268 0.000 2.131 489 L HA -0.156 4.185 4.340 0.001 0.000 0.210 489 L C 2.215 178.940 176.870 -0.241 0.000 1.092 489 L CA 1.085 55.745 54.840 -0.300 0.000 0.759 489 L CB -0.345 41.508 42.059 -0.343 0.000 0.903 489 L HN 0.192 nan 8.230 nan 0.000 0.435 490 I N -0.962 119.488 120.570 -0.200 0.000 2.315 490 I HA -0.312 3.858 4.170 0.001 0.000 0.248 490 I C 2.464 178.523 176.117 -0.098 0.000 1.117 490 I CA 1.241 62.466 61.300 -0.126 0.000 1.404 490 I CB -0.281 37.548 38.000 -0.285 0.000 1.071 490 I HN 0.167 nan 8.210 nan 0.000 0.419 491 F N 1.413 121.160 119.950 -0.339 0.000 2.126 491 F HA -0.206 4.321 4.527 0.001 0.000 0.299 491 F C 2.281 178.005 175.800 -0.127 0.000 1.096 491 F CA 1.589 59.444 58.000 -0.242 0.000 1.255 491 F CB -0.419 38.345 39.000 -0.394 0.000 0.997 491 F HN -0.226 nan 8.300 nan 0.000 0.479 492 V N 0.797 120.580 119.914 -0.217 0.000 2.261 492 V HA -0.288 3.833 4.120 0.001 0.000 0.246 492 V C 2.530 178.472 176.094 -0.253 0.000 1.047 492 V CA 2.351 64.491 62.300 -0.267 0.000 1.015 492 V CB -0.783 30.901 31.823 -0.232 0.000 0.642 492 V HN 0.291 nan 8.190 nan 0.000 0.446 493 R N -0.563 119.773 120.500 -0.273 0.000 2.075 493 R HA -0.061 4.279 4.340 0.001 0.000 0.226 493 R C 2.085 178.037 176.300 -0.579 0.000 1.114 493 R CA 1.697 57.593 56.100 -0.340 0.000 0.972 493 R CB -0.503 29.562 30.300 -0.392 0.000 0.869 493 R HN 0.623 nan 8.270 nan 0.000 0.437 494 H N -1.342 117.463 119.070 -0.441 0.000 2.622 494 H HA 0.282 4.839 4.556 0.001 0.000 0.269 494 H C 0.751 175.664 175.328 -0.691 0.000 0.977 494 H CA 0.652 56.208 56.048 -0.819 0.000 1.179 494 H CB 0.612 29.529 29.762 -1.409 0.000 1.458 494 H HN 0.221 nan 8.280 nan 0.000 0.531 495 M N -1.070 118.337 119.600 -0.322 0.000 2.300 495 M HA 0.238 4.718 4.480 0.001 0.000 0.313 495 M C 0.959 177.082 176.300 -0.294 0.000 0.988 495 M CA 0.183 55.359 55.300 -0.207 0.000 1.012 495 M CB 1.714 34.303 32.600 -0.018 0.000 1.586 495 M HN 0.213 nan 8.290 nan 0.000 0.562 496 G N 1.226 109.841 108.800 -0.309 0.000 2.179 496 G HA2 -0.198 3.762 3.960 0.001 0.000 0.257 496 G HA3 -0.198 3.762 3.960 0.001 0.000 0.257 496 G C 0.249 174.996 174.900 -0.254 0.000 1.010 496 G CA 0.011 44.988 45.100 -0.204 0.000 0.736 496 G HN 0.612 nan 8.290 nan 0.000 0.513 497 G N -1.629 106.821 108.800 -0.584 0.000 2.504 497 G HA2 0.650 4.611 3.960 0.001 0.000 0.288 497 G HA3 0.650 4.611 3.960 0.001 0.000 0.288 497 G C -0.262 174.550 174.900 -0.148 0.000 1.182 497 G CA -0.085 44.600 45.100 -0.690 0.000 0.894 497 G HN 0.897 nan 8.290 nan 0.000 0.521 498 V N 0.992 121.006 119.914 0.167 0.000 2.459 498 V HA 0.387 4.507 4.120 0.001 0.000 0.295 498 V C -0.300 176.020 176.094 0.377 0.000 1.029 498 V CA -0.691 61.757 62.300 0.246 0.000 0.874 498 V CB 1.370 33.341 31.823 0.247 0.000 0.985 498 V HN 0.641 nan 8.190 nan 0.000 0.438 499 L N 4.917 126.289 121.223 0.249 0.000 2.325 499 L HA 0.929 5.269 4.340 0.001 0.000 0.279 499 L C 0.031 176.966 176.870 0.109 0.000 1.054 499 L CA 0.097 55.073 54.840 0.227 0.000 0.804 499 L CB 1.335 43.436 42.059 0.069 0.000 1.200 499 L HN 0.795 nan 8.230 nan 0.000 0.436 500 A N 4.179 127.095 122.820 0.160 0.000 2.515 500 A HA 0.817 5.137 4.320 0.001 0.000 0.298 500 A C -1.743 175.964 177.584 0.205 0.000 1.059 500 A CA -0.548 51.546 52.037 0.095 0.000 0.698 500 A CB 1.871 20.893 19.000 0.036 0.000 1.289 500 A HN 0.503 nan 8.150 nan 0.000 0.404 501 V N 1.232 121.292 119.914 0.242 0.000 2.525 501 V HA 0.681 4.801 4.120 0.001 0.000 0.299 501 V C 0.191 176.494 176.094 0.348 0.000 1.034 501 V CA -0.249 62.294 62.300 0.404 0.000 0.863 501 V CB 1.525 33.670 31.823 0.536 0.000 0.999 501 V HN 1.400 nan 8.190 nan 0.000 0.423 502 A N 3.476 126.518 122.820 0.370 0.000 2.260 502 A HA 0.592 4.912 4.320 0.001 0.000 0.314 502 A C 0.097 177.893 177.584 0.353 0.000 1.257 502 A CA -0.548 51.696 52.037 0.345 0.000 0.871 502 A CB 0.040 19.272 19.000 0.386 0.000 1.166 502 A HN 0.888 nan 8.150 nan 0.000 0.522 503 N N 2.462 121.334 118.700 0.287 0.000 3.303 503 N HA 0.238 4.979 4.740 0.001 0.000 0.304 503 N C 0.332 176.124 175.510 0.470 0.000 1.302 503 N CA -0.186 53.055 53.050 0.319 0.000 1.213 503 N CB -0.103 38.494 38.487 0.183 0.000 1.481 503 N HN 0.796 nan 8.380 nan 0.000 0.546 504 I N -2.358 118.421 120.570 0.349 0.000 2.938 504 I HA 0.158 4.328 4.170 0.001 0.000 0.285 504 I C 0.573 176.697 176.117 0.011 0.000 1.182 504 I CA -0.742 60.675 61.300 0.195 0.000 1.388 504 I CB 0.762 38.835 38.000 0.122 0.000 1.390 504 I HN 0.108 nan 8.210 nan 0.000 0.600 505 R N 2.298 122.525 120.500 -0.456 0.000 2.861 505 R HA 0.254 4.595 4.340 0.001 0.000 0.268 505 R C 1.178 177.206 176.300 -0.453 0.000 1.027 505 R CA 1.107 56.677 56.100 -0.883 0.000 1.163 505 R CB 0.072 29.791 30.300 -0.968 0.000 1.060 505 R HN 1.091 nan 8.270 nan 0.000 0.483 506 G N 0.022 108.601 108.800 -0.367 0.000 2.284 506 G HA2 -0.238 3.722 3.960 0.001 0.000 0.230 506 G HA3 -0.238 3.722 3.960 0.001 0.000 0.230 506 G C 0.517 175.467 174.900 0.083 0.000 1.021 506 G CA -0.200 44.800 45.100 -0.167 0.000 0.619 506 G HN 0.896 nan 8.290 nan 0.000 0.510 507 G N -0.390 108.510 108.800 0.167 0.000 2.588 507 G HA2 0.556 4.516 3.960 0.001 0.000 0.278 507 G HA3 0.556 4.516 3.960 0.001 0.000 0.278 507 G C 1.060 176.193 174.900 0.388 0.000 1.307 507 G CA 0.261 45.548 45.100 0.311 0.000 1.016 507 G HN 1.317 nan 8.290 nan 0.000 0.503 508 G N -1.468 107.484 108.800 0.252 0.000 3.337 508 G HA2 0.246 4.207 3.960 0.001 0.000 0.246 508 G HA3 0.246 4.207 3.960 0.001 0.000 0.246 508 G C 0.993 175.929 174.900 0.060 0.000 1.131 508 G CA 0.136 45.343 45.100 0.179 0.000 0.773 508 G HN 0.535 nan 8.290 nan 0.000 0.544 509 E N 0.042 120.209 120.200 -0.055 0.000 2.153 509 E HA -0.095 4.255 4.350 0.001 0.000 0.194 509 E C 0.278 176.347 176.600 -0.885 0.000 0.988 509 E CA 1.011 57.107 56.400 -0.506 0.000 0.811 509 E CB -0.129 29.186 29.700 -0.641 0.000 0.746 509 E HN 0.585 nan 8.360 nan 0.000 0.466 510 Y N -0.401 119.642 120.300 -0.427 0.000 2.699 510 Y HA 0.426 4.976 4.550 0.001 0.000 0.282 510 Y C 0.839 176.778 175.900 0.066 0.000 1.058 510 Y CA -0.079 57.867 58.100 -0.257 0.000 1.194 510 Y CB 0.692 38.834 38.460 -0.531 0.000 1.193 510 Y HN 0.095 nan 8.280 nan 0.000 0.562 511 G N 0.610 109.528 108.800 0.196 0.000 2.645 511 G HA2 -0.375 3.585 3.960 0.001 0.000 0.239 511 G HA3 -0.375 3.585 3.960 0.001 0.000 0.239 511 G C 0.721 175.796 174.900 0.291 0.000 1.331 511 G CA 0.292 45.551 45.100 0.265 0.000 0.890 511 G HN 0.310 nan 8.290 nan 0.000 0.572 512 E N -0.364 119.963 120.200 0.211 0.000 2.204 512 E HA -0.078 4.273 4.350 0.001 0.000 0.195 512 E C 2.795 179.499 176.600 0.173 0.000 0.990 512 E CA 2.740 59.251 56.400 0.185 0.000 0.821 512 E CB -0.531 29.201 29.700 0.054 0.000 0.750 512 E HN 0.962 nan 8.360 nan 0.000 0.477 513 T N -2.478 112.178 114.554 0.170 0.000 2.867 513 T HA -0.162 4.188 4.350 0.001 0.000 0.268 513 T C 1.826 176.651 174.700 0.209 0.000 1.057 513 T CA 0.936 63.122 62.100 0.143 0.000 1.136 513 T CB -0.768 68.184 68.868 0.140 0.000 0.874 513 T HN 0.405 nan 8.240 nan 0.000 0.466 514 W N 1.475 122.826 121.300 0.085 0.000 2.409 514 W HA -0.105 4.555 4.660 0.001 0.000 0.299 514 W C 2.350 178.908 176.519 0.064 0.000 1.203 514 W CA 1.192 58.592 57.345 0.091 0.000 1.298 514 W CB -0.381 29.182 29.460 0.171 0.000 1.127 514 W HN 0.492 nan 8.180 nan 0.000 0.528 515 H N 0.738 119.897 119.070 0.149 0.000 2.293 515 H HA -0.172 4.385 4.556 0.001 0.000 0.300 515 H C 2.094 177.336 175.328 -0.143 0.000 1.082 515 H CA 1.869 57.906 56.048 -0.020 0.000 1.308 515 H CB -0.084 29.689 29.762 0.019 0.000 1.375 515 H HN 0.041 nan 8.280 nan 0.000 0.495 516 K N -0.124 120.123 120.400 -0.255 0.000 2.280 516 K HA -0.068 4.252 4.320 0.001 0.000 0.202 516 K C 2.176 178.578 176.600 -0.329 0.000 1.047 516 K CA 0.703 56.775 56.287 -0.358 0.000 0.942 516 K CB -0.081 32.293 32.500 -0.210 0.000 0.739 516 K HN 0.370 nan 8.250 nan 0.000 0.457 517 G N 0.395 109.023 108.800 -0.287 0.000 2.625 517 G HA2 -0.111 3.849 3.960 0.001 0.000 0.214 517 G HA3 -0.111 3.849 3.960 0.001 0.000 0.214 517 G C 0.819 175.462 174.900 -0.428 0.000 1.132 517 G CA 0.689 45.581 45.100 -0.347 0.000 0.782 517 G HN 0.384 nan 8.290 nan 0.000 0.538 518 G N 0.047 108.579 108.800 -0.447 0.000 4.552 518 G HA2 0.496 4.457 3.960 0.001 0.000 0.281 518 G HA3 0.496 4.457 3.960 0.001 0.000 0.281 518 G C -0.042 174.556 174.900 -0.502 0.000 1.037 518 G CA -0.200 44.610 45.100 -0.485 0.000 0.806 518 G HN 0.510 nan 8.290 nan 0.000 0.495 519 I N -3.340 116.927 120.570 -0.505 0.000 3.145 519 I HA 0.741 4.912 4.170 0.001 0.000 0.313 519 I C 0.806 176.621 176.117 -0.504 0.000 1.122 519 I CA -1.258 59.742 61.300 -0.501 0.000 0.987 519 I CB 1.574 39.225 38.000 -0.581 0.000 1.236 519 I HN 0.078 nan 8.210 nan 0.000 0.453 520 L N 0.788 121.744 121.223 -0.446 0.000 6.079 520 L HA -0.386 3.954 4.340 0.001 0.000 0.053 520 L C 1.896 177.985 176.870 -1.302 0.000 2.483 520 L CA 1.316 55.739 54.840 -0.695 0.000 1.581 520 L CB -1.829 39.880 42.059 -0.583 0.000 2.843 520 L HN 0.961 nan 8.230 nan 0.000 1.020 521 A N -0.347 121.351 122.820 -1.870 0.000 2.070 521 A HA -0.079 4.241 4.320 0.001 0.000 0.220 521 A C 1.367 178.469 177.584 -0.803 0.000 1.159 521 A CA 2.044 53.021 52.037 -1.766 0.000 0.656 521 A CB -0.590 17.778 19.000 -1.053 0.000 0.800 521 A HN 0.679 nan 8.150 nan 0.000 0.453 522 N N -0.741 117.583 118.700 -0.626 0.000 2.268 522 N HA 0.028 4.769 4.740 0.001 0.000 0.204 522 N C 1.105 176.335 175.510 -0.467 0.000 1.124 522 N CA 0.405 53.187 53.050 -0.445 0.000 0.838 522 N CB 0.424 38.677 38.487 -0.390 0.000 0.994 522 N HN 0.422 nan 8.380 nan 0.000 0.489 523 K N 1.555 121.652 120.400 -0.504 0.000 2.103 523 K HA -0.162 4.158 4.320 0.001 0.000 0.207 523 K C 1.896 178.017 176.600 -0.799 0.000 1.048 523 K CA 1.176 57.083 56.287 -0.633 0.000 0.930 523 K CB -0.032 32.120 32.500 -0.579 0.000 0.716 523 K HN -0.048 nan 8.250 nan 0.000 0.444 524 Q N 0.699 120.228 119.800 -0.451 0.000 2.234 524 Q HA -0.128 4.212 4.340 0.001 0.000 0.206 524 Q C 1.271 177.104 176.000 -0.280 0.000 0.980 524 Q CA 1.683 57.354 55.803 -0.220 0.000 0.869 524 Q CB -0.350 28.387 28.738 -0.001 0.000 0.912 524 Q HN 0.383 nan 8.270 nan 0.000 0.436 525 N N -0.793 117.700 118.700 -0.346 0.000 2.149 525 N HA -0.151 4.590 4.740 0.001 0.000 0.188 525 N C 1.567 176.872 175.510 -0.341 0.000 1.019 525 N CA 1.409 54.281 53.050 -0.297 0.000 0.857 525 N CB -0.732 37.556 38.487 -0.332 0.000 0.997 525 N HN 0.347 nan 8.380 nan 0.000 0.426 526 C N 0.454 119.417 119.300 -0.562 0.000 2.413 526 C HA -0.118 4.343 4.460 0.001 0.000 0.277 526 C C 2.461 177.248 174.990 -0.339 0.000 1.228 526 C CA 0.406 59.083 59.018 -0.569 0.000 1.731 526 C CB -1.539 25.648 27.740 -0.921 0.000 2.042 526 C HN 0.303 nan 8.230 nan 0.000 0.468 527 F N 1.547 121.412 119.950 -0.142 0.000 2.146 527 F HA -0.082 4.445 4.527 0.001 0.000 0.298 527 F C 2.183 178.013 175.800 0.050 0.000 1.096 527 F CA 1.341 59.313 58.000 -0.046 0.000 1.275 527 F CB -1.362 37.580 39.000 -0.097 0.000 1.008 527 F HN 0.218 nan 8.300 nan 0.000 0.480 528 D N 0.417 120.909 120.400 0.153 0.000 2.104 528 D HA -0.163 4.478 4.640 0.001 0.000 0.194 528 D C 1.829 178.216 176.300 0.146 0.000 0.994 528 D CA 1.561 55.633 54.000 0.120 0.000 0.830 528 D CB -0.567 40.260 40.800 0.044 0.000 0.959 528 D HN 0.194 nan 8.370 nan 0.000 0.452 529 D N -0.281 120.185 120.400 0.109 0.000 2.123 529 D HA -0.158 4.482 4.640 0.001 0.000 0.196 529 D C 1.829 178.337 176.300 0.347 0.000 0.992 529 D CA 0.548 54.669 54.000 0.201 0.000 0.833 529 D CB -0.452 40.401 40.800 0.087 0.000 0.954 529 D HN 0.164 nan 8.370 nan 0.000 0.455 530 F N 1.319 121.342 119.950 0.122 0.000 2.163 530 F HA -0.081 4.446 4.527 0.001 0.000 0.297 530 F C 2.393 178.279 175.800 0.143 0.000 1.094 530 F CA 1.134 59.208 58.000 0.123 0.000 1.290 530 F CB -0.222 38.824 39.000 0.077 0.000 1.017 530 F HN -0.088 nan 8.300 nan 0.000 0.483 531 Q N -1.096 118.856 119.800 0.253 0.000 2.135 531 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 531 Q C 2.400 178.413 176.000 0.023 0.000 0.981 531 Q CA 1.960 57.856 55.803 0.155 0.000 0.856 531 Q CB -0.611 28.234 28.738 0.178 0.000 0.902 531 Q HN 0.416 nan 8.270 nan 0.000 0.425 532 C N 0.053 119.397 119.300 0.073 0.000 2.432 532 C HA -0.038 4.422 4.460 0.001 0.000 0.280 532 C C 2.778 177.606 174.990 -0.270 0.000 1.353 532 C CA 0.482 59.527 59.018 0.045 0.000 1.766 532 C CB -1.155 26.747 27.740 0.270 0.000 1.924 532 C HN 0.609 nan 8.230 nan 0.000 0.509 533 A N 0.820 123.367 122.820 -0.454 0.000 1.877 533 A HA 0.057 4.377 4.320 0.001 0.000 0.216 533 A C 2.397 179.738 177.584 -0.406 0.000 1.186 533 A CA 2.016 53.570 52.037 -0.804 0.000 0.620 533 A CB -0.935 17.760 19.000 -0.509 0.000 0.822 533 A HN 0.544 nan 8.150 nan 0.000 0.443 534 A N -0.155 122.488 122.820 -0.295 0.000 1.883 534 A HA -0.215 4.105 4.320 0.001 0.000 0.217 534 A C 1.930 179.441 177.584 -0.121 0.000 1.186 534 A CA 1.739 53.679 52.037 -0.161 0.000 0.624 534 A CB -0.607 18.345 19.000 -0.081 0.000 0.822 534 A HN 0.639 nan 8.150 nan 0.000 0.444 535 E N -1.842 118.286 120.200 -0.120 0.000 2.153 535 E HA -0.211 4.139 4.350 0.001 0.000 0.194 535 E C 1.840 178.418 176.600 -0.036 0.000 0.988 535 E CA 1.396 57.750 56.400 -0.076 0.000 0.811 535 E CB -0.284 29.388 29.700 -0.046 0.000 0.746 535 E HN 0.820 nan 8.360 nan 0.000 0.466 536 Y N 1.437 121.630 120.300 -0.179 0.000 2.163 536 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 536 Y C 1.984 177.867 175.900 -0.029 0.000 1.136 536 Y CA 1.355 59.381 58.100 -0.124 0.000 1.147 536 Y CB -0.206 38.097 38.460 -0.261 0.000 0.987 536 Y HN -0.073 nan 8.280 nan 0.000 0.509 537 L N -0.397 120.901 121.223 0.125 0.000 2.083 537 L HA -0.241 4.100 4.340 0.001 0.000 0.209 537 L C 2.340 179.276 176.870 0.110 0.000 1.083 537 L CA 1.478 56.414 54.840 0.160 0.000 0.752 537 L CB -0.545 41.570 42.059 0.093 0.000 0.899 537 L HN 0.303 nan 8.230 nan 0.000 0.433 538 I N -0.597 119.981 120.570 0.012 0.000 2.193 538 I HA -0.248 3.922 4.170 0.001 0.000 0.240 538 I C 2.734 178.816 176.117 -0.058 0.000 1.084 538 I CA 1.047 62.336 61.300 -0.017 0.000 1.365 538 I CB -0.383 37.588 38.000 -0.049 0.000 1.064 538 I HN 0.174 nan 8.210 nan 0.000 0.410 539 K N 0.988 121.330 120.400 -0.097 0.000 2.103 539 K HA -0.190 4.131 4.320 0.001 0.000 0.207 539 K C 1.599 178.101 176.600 -0.164 0.000 1.048 539 K CA 1.531 57.745 56.287 -0.121 0.000 0.930 539 K CB -0.014 32.414 32.500 -0.120 0.000 0.716 539 K HN 0.261 nan 8.250 nan 0.000 0.444 540 E N -0.714 119.343 120.200 -0.240 0.000 2.489 540 E HA 0.023 4.374 4.350 0.001 0.000 0.193 540 E C 0.888 177.342 176.600 -0.244 0.000 1.057 540 E CA 0.686 56.927 56.400 -0.266 0.000 0.866 540 E CB 0.265 29.719 29.700 -0.411 0.000 0.916 540 E HN 0.560 nan 8.360 nan 0.000 0.500 541 G N 0.882 109.592 108.800 -0.150 0.000 2.141 541 G HA2 -0.336 3.625 3.960 0.001 0.000 0.242 541 G HA3 -0.336 3.625 3.960 0.001 0.000 0.242 541 G C 0.668 175.482 174.900 -0.142 0.000 0.982 541 G CA 0.401 45.410 45.100 -0.152 0.000 0.662 541 G HN 0.323 nan 8.290 nan 0.000 0.527 542 Y N 0.050 120.352 120.300 0.004 0.000 2.314 542 Y HA 0.340 4.890 4.550 0.001 0.000 0.293 542 Y C 2.061 178.048 175.900 0.145 0.000 1.129 542 Y CA 1.962 60.108 58.100 0.078 0.000 1.201 542 Y CB 0.286 38.781 38.460 0.058 0.000 0.999 542 Y HN 0.405 nan 8.280 nan 0.000 0.541 543 T N -2.196 112.488 114.554 0.217 0.000 2.665 543 T HA 0.603 4.953 4.350 0.001 0.000 0.303 543 T C -1.257 173.482 174.700 0.065 0.000 1.334 543 T CA -0.694 61.498 62.100 0.153 0.000 1.011 543 T CB 1.172 70.158 68.868 0.196 0.000 1.573 543 T HN -0.122 nan 8.240 nan 0.000 0.492 544 S N 0.903 116.633 115.700 0.050 0.000 2.595 544 S HA 0.520 4.991 4.470 0.001 0.000 0.281 544 S C -2.141 172.467 174.600 0.015 0.000 1.117 544 S CA -1.035 57.172 58.200 0.010 0.000 0.873 544 S CB 1.981 65.177 63.200 -0.006 0.000 1.108 544 S HN 0.539 nan 8.310 nan 0.000 0.477 545 P HA -0.193 nan 4.420 nan 0.000 0.216 545 P C 1.241 178.550 177.300 0.014 0.000 1.153 545 P CA 1.404 64.479 63.100 -0.043 0.000 0.858 545 P CB -0.039 31.605 31.700 -0.094 0.000 0.789 546 K N -0.044 120.368 120.400 0.019 0.000 2.360 546 K HA -0.077 4.243 4.320 0.001 0.000 0.201 546 K C 1.566 178.211 176.600 0.075 0.000 1.046 546 K CA 1.165 57.477 56.287 0.042 0.000 0.945 546 K CB -0.284 32.233 32.500 0.028 0.000 0.750 546 K HN 0.115 nan 8.250 nan 0.000 0.464 547 R N 0.419 120.972 120.500 0.088 0.000 2.397 547 R HA 0.208 4.548 4.340 0.001 0.000 0.241 547 R C -0.335 176.077 176.300 0.188 0.000 0.914 547 R CA -0.425 55.756 56.100 0.134 0.000 1.071 547 R CB 0.259 30.631 30.300 0.120 0.000 1.116 547 R HN 0.075 nan 8.270 nan 0.000 0.524 548 L N 1.332 122.654 121.223 0.166 0.000 2.275 548 L HA 0.318 4.659 4.340 0.001 0.000 0.288 548 L C -0.654 176.335 176.870 0.198 0.000 1.046 548 L CA 0.317 55.274 54.840 0.194 0.000 0.805 548 L CB 1.736 43.897 42.059 0.170 0.000 1.193 548 L HN -0.135 nan 8.230 nan 0.000 0.426 549 T N 6.629 121.276 114.554 0.155 0.000 2.824 549 T HA 0.618 4.968 4.350 0.001 0.000 0.280 549 T C -0.157 174.460 174.700 -0.138 0.000 0.995 549 T CA -0.274 61.846 62.100 0.034 0.000 1.009 549 T CB 0.901 69.783 68.868 0.025 0.000 0.955 549 T HN 0.588 nan 8.240 nan 0.000 0.452 550 I N 1.124 121.574 120.570 -0.200 0.000 2.562 550 I HA 0.697 4.867 4.170 0.001 0.000 0.301 550 I C -0.392 175.526 176.117 -0.332 0.000 1.003 550 I CA -0.813 60.326 61.300 -0.267 0.000 1.127 550 I CB 1.889 39.747 38.000 -0.237 0.000 1.304 550 I HN 0.481 nan 8.210 nan 0.000 0.446 551 N N 2.916 121.412 118.700 -0.340 0.000 2.264 551 N HA 0.738 5.478 4.740 0.001 0.000 0.288 551 N C -1.257 174.134 175.510 -0.198 0.000 1.094 551 N CA -0.363 52.532 53.050 -0.258 0.000 0.817 551 N CB 2.806 41.068 38.487 -0.375 0.000 1.604 551 N HN 1.092 nan 8.380 nan 0.000 0.473 552 G N -0.020 108.676 108.800 -0.173 0.000 2.646 552 G HA2 0.621 4.581 3.960 0.001 0.000 0.291 552 G HA3 0.621 4.581 3.960 0.001 0.000 0.291 552 G C -1.508 173.350 174.900 -0.070 0.000 1.445 552 G CA -0.608 44.333 45.100 -0.264 0.000 0.814 552 G HN 0.592 nan 8.290 nan 0.000 0.495 553 G N -1.017 107.789 108.800 0.009 0.000 2.524 553 G HA2 0.700 4.660 3.960 0.001 0.000 0.310 553 G HA3 0.700 4.660 3.960 0.001 0.000 0.310 553 G C 0.189 175.111 174.900 0.036 0.000 1.279 553 G CA 0.944 46.053 45.100 0.014 0.000 0.974 553 G HN 1.937 nan 8.290 nan 0.000 0.484 554 S N 0.764 116.449 115.700 -0.024 0.000 4.120 554 S HA -0.357 4.113 4.470 0.001 0.000 0.625 554 S C 1.966 176.486 174.600 -0.134 0.000 1.925 554 S CA 1.770 59.976 58.200 0.009 0.000 4.213 554 S CB -1.487 61.818 63.200 0.175 0.000 0.206 554 S HN 1.429 nan 8.310 nan 0.000 0.523 555 N N 1.263 119.832 118.700 -0.218 0.000 2.258 555 N HA -0.030 4.710 4.740 0.001 0.000 0.187 555 N C 1.581 176.840 175.510 -0.418 0.000 1.012 555 N CA 2.614 55.453 53.050 -0.352 0.000 0.870 555 N CB -0.949 37.221 38.487 -0.528 0.000 0.977 555 N HN 0.652 nan 8.380 nan 0.000 0.434 556 G N -1.141 107.447 108.800 -0.354 0.000 2.448 556 G HA2 -0.065 3.896 3.960 0.001 0.000 0.218 556 G HA3 -0.065 3.896 3.960 0.001 0.000 0.218 556 G C 1.437 176.177 174.900 -0.266 0.000 1.135 556 G CA 0.549 45.462 45.100 -0.313 0.000 0.784 556 G HN 0.432 nan 8.290 nan 0.000 0.543 557 G N 1.061 109.752 108.800 -0.182 0.000 2.402 557 G HA2 -0.112 3.849 3.960 0.001 0.000 0.216 557 G HA3 -0.112 3.849 3.960 0.001 0.000 0.216 557 G C 1.718 176.500 174.900 -0.196 0.000 1.162 557 G CA 0.994 45.999 45.100 -0.160 0.000 0.777 557 G HN 0.412 nan 8.290 nan 0.000 0.539 558 L N 0.455 121.550 121.223 -0.213 0.000 2.012 558 L HA -0.014 4.326 4.340 0.001 0.000 0.210 558 L C 2.523 179.294 176.870 -0.166 0.000 1.073 558 L CA 1.908 56.622 54.840 -0.210 0.000 0.748 558 L CB -0.719 41.232 42.059 -0.180 0.000 0.891 558 L HN 0.197 nan 8.230 nan 0.000 0.431 559 L N -0.411 120.723 121.223 -0.150 0.000 1.971 559 L HA -0.177 4.163 4.340 0.001 0.000 0.215 559 L C 2.548 179.285 176.870 -0.222 0.000 1.072 559 L CA 2.541 57.306 54.840 -0.124 0.000 0.758 559 L CB -0.898 40.920 42.059 -0.400 0.000 0.889 559 L HN 0.349 nan 8.230 nan 0.000 0.433 560 V N -2.604 117.143 119.914 -0.280 0.000 2.548 560 V HA 0.016 4.136 4.120 0.001 0.000 0.249 560 V C 2.462 178.450 176.094 -0.177 0.000 1.055 560 V CA 1.230 63.384 62.300 -0.243 0.000 1.065 560 V CB -1.661 30.018 31.823 -0.240 0.000 0.681 560 V HN 0.471 nan 8.190 nan 0.000 0.462 561 A N 0.911 123.644 122.820 -0.145 0.000 1.898 561 A HA -0.131 4.189 4.320 0.001 0.000 0.216 561 A C 2.352 179.876 177.584 -0.100 0.000 1.181 561 A CA 2.540 54.544 52.037 -0.054 0.000 0.620 561 A CB -1.326 17.534 19.000 -0.233 0.000 0.819 561 A HN 0.535 nan 8.150 nan 0.000 0.442 562 T N -0.711 113.680 114.554 -0.272 0.000 2.746 562 T HA -0.192 4.158 4.350 0.001 0.000 0.267 562 T C 1.892 176.439 174.700 -0.255 0.000 1.039 562 T CA 1.646 63.508 62.100 -0.396 0.000 1.142 562 T CB -0.661 67.614 68.868 -0.990 0.000 0.866 562 T HN 0.570 nan 8.240 nan 0.000 0.444 563 C N 1.568 120.762 119.300 -0.176 0.000 2.422 563 C HA 0.091 4.551 4.460 0.001 0.000 0.279 563 C C 3.182 178.221 174.990 0.082 0.000 1.305 563 C CA 0.245 59.272 59.018 0.015 0.000 1.757 563 C CB -1.444 26.330 27.740 0.057 0.000 1.962 563 C HN 0.655 nan 8.230 nan 0.000 0.499 564 A N 1.245 124.041 122.820 -0.039 0.000 1.902 564 A HA -0.177 4.144 4.320 0.001 0.000 0.217 564 A C 1.929 179.407 177.584 -0.177 0.000 1.181 564 A CA 1.881 53.897 52.037 -0.035 0.000 0.623 564 A CB -0.516 18.490 19.000 0.009 0.000 0.818 564 A HN 0.640 nan 8.150 nan 0.000 0.443 565 N N -0.303 118.372 118.700 -0.041 0.000 2.216 565 N HA -0.107 4.634 4.740 0.001 0.000 0.183 565 N C 1.886 177.376 175.510 -0.033 0.000 1.017 565 N CA 1.415 54.466 53.050 0.002 0.000 0.861 565 N CB -0.341 38.218 38.487 0.121 0.000 0.986 565 N HN 0.666 nan 8.380 nan 0.000 0.428 566 Q N -0.400 119.388 119.800 -0.019 0.000 2.212 566 Q HA 0.140 4.480 4.340 0.001 0.000 0.199 566 Q C 0.074 176.080 176.000 0.011 0.000 0.950 566 Q CA 0.737 56.543 55.803 0.004 0.000 0.863 566 Q CB 0.545 29.286 28.738 0.005 0.000 0.944 566 Q HN 0.045 nan 8.270 nan 0.000 0.465 567 R N 0.249 120.772 120.500 0.038 0.000 2.638 567 R HA 0.181 4.521 4.340 0.001 0.000 0.261 567 R C -2.254 174.022 176.300 -0.041 0.000 1.515 567 R CA -1.399 54.694 56.100 -0.011 0.000 1.623 567 R CB 0.731 31.016 30.300 -0.024 0.000 1.347 567 R HN 0.112 nan 8.270 nan 0.000 0.705 568 P HA -0.161 nan 4.420 nan 0.000 0.222 568 P C 0.644 177.882 177.300 -0.103 0.000 1.147 568 P CA 1.142 64.149 63.100 -0.156 0.000 0.790 568 P CB 0.264 31.735 31.700 -0.382 0.000 0.780 569 D N -0.592 119.727 120.400 -0.135 0.000 2.348 569 D HA -0.110 4.530 4.640 0.001 0.000 0.216 569 D C 1.674 177.830 176.300 -0.239 0.000 0.970 569 D CA 0.398 54.316 54.000 -0.137 0.000 0.889 569 D CB -0.560 40.175 40.800 -0.109 0.000 0.912 569 D HN 0.142 nan 8.370 nan 0.000 0.524 570 L N -0.849 120.087 121.223 -0.479 0.000 2.477 570 L HA 0.278 4.619 4.340 0.001 0.000 0.220 570 L C -0.462 175.890 176.870 -0.863 0.000 1.106 570 L CA 0.373 54.731 54.840 -0.803 0.000 0.851 570 L CB 0.006 41.345 42.059 -1.201 0.000 0.994 570 L HN -0.192 nan 8.230 nan 0.000 0.462 571 F N -2.281 117.651 119.950 -0.030 0.000 2.551 571 F HA 0.574 5.102 4.527 0.001 0.000 0.316 571 F C 1.247 177.051 175.800 0.007 0.000 1.089 571 F CA -0.702 57.290 58.000 -0.013 0.000 0.915 571 F CB 1.221 40.213 39.000 -0.014 0.000 1.186 571 F HN -0.274 nan 8.300 nan 0.000 0.456 572 G N -0.317 108.609 108.800 0.210 0.000 2.492 572 G HA2 0.125 4.086 3.960 0.001 0.000 0.214 572 G HA3 0.125 4.086 3.960 0.001 0.000 0.214 572 G C -0.355 174.635 174.900 0.150 0.000 1.147 572 G CA 0.446 45.632 45.100 0.144 0.000 0.809 572 G HN 0.640 nan 8.290 nan 0.000 0.533 573 C N -0.305 119.097 119.300 0.170 0.000 2.880 573 C HA 0.704 5.164 4.460 0.001 0.000 0.320 573 C C -1.379 173.682 174.990 0.118 0.000 1.176 573 C CA -0.653 58.462 59.018 0.163 0.000 1.390 573 C CB 1.216 29.043 27.740 0.144 0.000 1.846 573 C HN 0.106 nan 8.230 nan 0.000 0.478 574 V N 6.111 126.106 119.914 0.135 0.000 2.577 574 V HA 0.534 4.654 4.120 0.001 0.000 0.303 574 V C -0.552 175.560 176.094 0.030 0.000 1.042 574 V CA -0.251 62.056 62.300 0.012 0.000 0.872 574 V CB 1.708 33.522 31.823 -0.016 0.000 0.998 574 V HN 0.733 nan 8.190 nan 0.000 0.423 575 I N 4.178 124.718 120.570 -0.051 0.000 2.382 575 I HA 0.689 4.860 4.170 0.001 0.000 0.285 575 I C 0.232 176.303 176.117 -0.077 0.000 1.007 575 I CA -0.510 60.746 61.300 -0.073 0.000 1.142 575 I CB 1.760 39.716 38.000 -0.075 0.000 1.289 575 I HN 0.680 nan 8.210 nan 0.000 0.453 576 A N 6.702 129.487 122.820 -0.057 0.000 2.258 576 A HA 0.586 4.907 4.320 0.001 0.000 0.316 576 A C -0.458 177.105 177.584 -0.035 0.000 1.279 576 A CA -0.487 51.522 52.037 -0.048 0.000 0.876 576 A CB 0.563 19.558 19.000 -0.010 0.000 1.170 576 A HN 0.712 nan 8.150 nan 0.000 0.520 577 Q N 1.389 121.167 119.800 -0.038 0.000 2.257 577 Q HA 0.439 4.780 4.340 0.001 0.000 0.255 577 Q C 0.489 176.464 176.000 -0.042 0.000 0.920 577 Q CA -0.321 55.463 55.803 -0.032 0.000 0.927 577 Q CB 2.075 30.800 28.738 -0.023 0.000 1.229 577 Q HN 1.541 nan 8.270 nan 0.000 0.433 578 V N -0.226 119.678 119.914 -0.017 0.000 5.359 578 V HA -0.236 3.884 4.120 0.001 0.000 0.278 578 V C 0.208 176.327 176.094 0.040 0.000 0.622 578 V CA 0.905 63.223 62.300 0.029 0.000 0.649 578 V CB -2.351 29.453 31.823 -0.033 0.000 0.408 578 V HN 0.838 nan 8.190 nan 0.000 0.918 579 G N -0.151 108.642 108.800 -0.012 0.000 2.448 579 G HA2 0.588 4.549 3.960 0.001 0.000 0.285 579 G HA3 0.588 4.549 3.960 0.001 0.000 0.285 579 G C -0.304 174.492 174.900 -0.173 0.000 1.176 579 G CA -0.297 44.745 45.100 -0.097 0.000 0.852 579 G HN 1.233 nan 8.290 nan 0.000 0.530 580 V N 3.386 123.121 119.914 -0.299 0.000 2.408 580 V HA 0.139 4.259 4.120 0.001 0.000 0.267 580 V C 0.552 176.441 176.094 -0.341 0.000 1.047 580 V CA -0.250 61.751 62.300 -0.500 0.000 0.937 580 V CB 1.173 32.714 31.823 -0.470 0.000 0.999 580 V HN 0.715 nan 8.190 nan 0.000 0.472 581 M N 1.285 120.780 119.600 -0.174 0.000 2.470 581 M HA 0.277 4.757 4.480 0.001 0.000 0.262 581 M C 0.541 176.848 176.300 0.012 0.000 1.211 581 M CA 0.332 55.521 55.300 -0.186 0.000 1.125 581 M CB -0.091 32.342 32.600 -0.278 0.000 1.480 581 M HN 0.579 nan 8.290 nan 0.000 0.541 582 D N 1.731 122.372 120.400 0.401 0.000 2.479 582 D HA 0.221 4.862 4.640 0.001 0.000 0.218 582 D C 0.719 177.285 176.300 0.444 0.000 1.131 582 D CA 0.006 54.216 54.000 0.351 0.000 0.916 582 D CB 0.834 41.802 40.800 0.279 0.000 1.022 582 D HN -0.038 nan 8.370 nan 0.000 0.515 583 M N 2.976 122.749 119.600 0.288 0.000 2.619 583 M HA 0.033 4.513 4.480 0.001 0.000 0.251 583 M C 1.527 178.058 176.300 0.386 0.000 1.106 583 M CA 0.422 55.912 55.300 0.316 0.000 1.086 583 M CB -0.152 32.411 32.600 -0.061 0.000 1.465 583 M HN 0.448 nan 8.290 nan 0.000 0.506 584 L N -0.798 120.569 121.223 0.239 0.000 2.375 584 L HA -0.053 4.287 4.340 0.001 0.000 0.215 584 L C 1.712 178.742 176.870 0.267 0.000 1.108 584 L CA 0.718 55.645 54.840 0.145 0.000 0.830 584 L CB -0.199 41.784 42.059 -0.128 0.000 0.959 584 L HN 0.243 nan 8.230 nan 0.000 0.457 585 K N -0.355 120.195 120.400 0.251 0.000 2.402 585 K HA 0.111 4.431 4.320 0.001 0.000 0.204 585 K C 1.597 178.131 176.600 -0.111 0.000 1.056 585 K CA -0.034 56.264 56.287 0.018 0.000 1.069 585 K CB 0.432 33.013 32.500 0.136 0.000 0.888 585 K HN 0.130 nan 8.250 nan 0.000 0.546 586 F N 1.704 121.849 119.950 0.324 0.000 2.250 586 F HA -0.207 4.321 4.527 0.001 0.000 0.301 586 F C 2.048 177.926 175.800 0.131 0.000 1.077 586 F CA 1.217 59.490 58.000 0.455 0.000 1.348 586 F CB -0.875 38.469 39.000 0.573 0.000 1.040 586 F HN 0.115 nan 8.300 nan 0.000 0.509 587 H N 0.364 118.950 119.070 -0.807 0.000 2.555 587 H HA 0.161 4.717 4.556 0.001 0.000 0.269 587 H C 1.084 176.206 175.328 -0.344 0.000 0.988 587 H CA 0.787 56.510 56.048 -0.542 0.000 1.178 587 H CB -0.593 28.794 29.762 -0.624 0.000 1.373 587 H HN 0.415 nan 8.280 nan 0.000 0.588 588 K N 0.189 119.987 120.400 -1.004 0.000 2.365 588 K HA 0.051 4.371 4.320 0.001 0.000 0.197 588 K C -0.452 175.712 176.600 -0.728 0.000 1.042 588 K CA 0.369 56.079 56.287 -0.962 0.000 0.987 588 K CB 0.294 32.009 32.500 -1.308 0.000 0.779 588 K HN 0.199 nan 8.250 nan 0.000 0.484 589 Y N 0.560 120.791 120.300 -0.114 0.000 2.468 589 Y HA 0.060 4.611 4.550 0.001 0.000 0.342 589 Y C 1.387 177.244 175.900 -0.071 0.000 1.021 589 Y CA -1.109 56.960 58.100 -0.053 0.000 1.079 589 Y CB 1.209 39.665 38.460 -0.007 0.000 1.226 589 Y HN 0.177 nan 8.280 nan 0.000 0.460 590 T N -0.357 114.270 114.554 0.122 0.000 8.188 590 T HA -0.403 3.947 4.350 0.001 0.000 0.253 590 T C 0.864 175.509 174.700 -0.091 0.000 1.618 590 T CA 1.985 64.097 62.100 0.019 0.000 1.500 590 T CB -1.130 67.755 68.868 0.028 0.000 1.763 590 T HN 0.617 nan 8.240 nan 0.000 0.450 591 I N 2.462 122.899 120.570 -0.222 0.000 3.904 591 I HA 0.510 4.680 4.170 0.001 0.000 0.333 591 I C 2.154 177.657 176.117 -1.023 0.000 1.361 591 I CA 0.510 61.483 61.300 -0.544 0.000 1.116 591 I CB -0.531 37.233 38.000 -0.393 0.000 1.028 591 I HN 0.747 nan 8.210 nan 0.000 0.398 592 G N 0.340 108.568 108.800 -0.953 0.000 2.462 592 G HA2 -0.342 3.619 3.960 0.001 0.000 0.220 592 G HA3 -0.342 3.619 3.960 0.001 0.000 0.220 592 G C 1.417 175.898 174.900 -0.698 0.000 1.121 592 G CA 1.279 45.542 45.100 -1.396 0.000 0.758 592 G HN 0.711 nan 8.290 nan 0.000 0.559 593 H N -0.370 118.504 119.070 -0.326 0.000 2.489 593 H HA 0.278 4.834 4.556 0.001 0.000 0.295 593 H C 2.193 177.475 175.328 -0.077 0.000 1.082 593 H CA 1.023 57.008 56.048 -0.106 0.000 1.295 593 H CB -0.433 29.283 29.762 -0.076 0.000 1.380 593 H HN 0.272 nan 8.280 nan 0.000 0.548 594 A N 0.265 122.774 122.820 -0.518 0.000 2.238 594 A HA 0.032 4.352 4.320 0.001 0.000 0.208 594 A C 0.815 178.467 177.584 0.113 0.000 1.177 594 A CA 0.293 52.204 52.037 -0.210 0.000 0.804 594 A CB -0.575 18.206 19.000 -0.365 0.000 0.823 594 A HN 0.585 nan 8.150 nan 0.000 0.482 595 W N -0.035 121.398 121.300 0.221 0.000 3.220 595 W HA 0.117 4.778 4.660 0.001 0.000 0.328 595 W C 1.747 178.383 176.519 0.195 0.000 1.205 595 W CA 0.651 58.130 57.345 0.225 0.000 1.773 595 W CB -1.464 28.088 29.460 0.153 0.000 1.086 595 W HN 0.474 nan 8.180 nan 0.000 0.622 596 T N -2.190 112.662 114.554 0.497 0.000 2.962 596 T HA -0.219 4.131 4.350 0.001 0.000 0.270 596 T C 1.930 176.768 174.700 0.229 0.000 1.088 596 T CA 1.409 63.782 62.100 0.455 0.000 1.127 596 T CB -1.043 68.052 68.868 0.378 0.000 0.883 596 T HN 0.211 nan 8.240 nan 0.000 0.493 597 c N 0.807 119.487 118.600 0.135 0.000 2.422 597 c HA -0.014 4.556 4.570 0.001 0.000 0.279 597 c C 2.111 176.131 174.090 -0.117 0.000 1.305 597 c CA 0.911 57.255 56.329 0.026 0.000 1.757 597 c CB -1.316 41.212 42.510 0.031 0.000 1.962 597 c HN 0.432 nan 8.230 nan 0.000 0.499 598 D N -1.297 118.934 120.400 -0.281 0.000 2.323 598 D HA 0.125 4.765 4.640 0.001 0.000 0.218 598 D C 1.768 177.863 176.300 -0.341 0.000 0.973 598 D CA 1.014 54.668 54.000 -0.577 0.000 0.890 598 D CB -0.081 39.893 40.800 -1.376 0.000 1.011 598 D HN 0.574 nan 8.370 nan 0.000 0.499 599 Y N -0.011 120.281 120.300 -0.012 0.000 2.524 599 Y HA 0.399 4.949 4.550 0.001 0.000 0.270 599 Y C 1.574 177.626 175.900 0.253 0.000 1.094 599 Y CA 0.417 58.578 58.100 0.103 0.000 1.276 599 Y CB -0.017 38.480 38.460 0.063 0.000 1.130 599 Y HN -0.051 nan 8.280 nan 0.000 0.536 600 G N -0.280 108.749 108.800 0.382 0.000 2.698 600 G HA2 -0.179 3.782 3.960 0.001 0.000 0.225 600 G HA3 -0.179 3.782 3.960 0.001 0.000 0.225 600 G C -1.026 174.205 174.900 0.551 0.000 1.345 600 G CA -0.887 44.392 45.100 0.297 0.000 0.871 600 G HN 0.507 nan 8.290 nan 0.000 0.540 601 C N -0.110 119.519 119.300 0.548 0.000 2.609 601 C HA 0.756 5.217 4.460 0.001 0.000 0.313 601 C C 1.980 177.021 174.990 0.085 0.000 1.175 601 C CA 0.755 59.866 59.018 0.154 0.000 1.434 601 C CB 0.865 28.555 27.740 -0.083 0.000 2.005 601 C HN 2.112 nan 8.230 nan 0.000 0.471 602 S N 1.899 117.616 115.700 0.029 0.000 2.469 602 S HA -0.142 4.329 4.470 0.001 0.000 0.238 602 S C 0.889 175.681 174.600 0.320 0.000 0.998 602 S CA 1.773 60.114 58.200 0.235 0.000 0.957 602 S CB -0.304 63.086 63.200 0.317 0.000 0.764 602 S HN 0.872 nan 8.310 nan 0.000 0.514 603 D N 1.857 122.306 120.400 0.082 0.000 2.263 603 D HA 0.020 4.660 4.640 0.001 0.000 0.208 603 D C 0.870 177.274 176.300 0.173 0.000 0.971 603 D CA 0.843 54.899 54.000 0.093 0.000 0.867 603 D CB -0.259 40.509 40.800 -0.052 0.000 0.929 603 D HN 0.514 nan 8.370 nan 0.000 0.492 604 S N 0.026 115.704 115.700 -0.038 0.000 2.475 604 S HA 0.157 4.627 4.470 0.001 0.000 0.281 604 S C 1.063 175.361 174.600 -0.503 0.000 1.198 604 S CA -0.750 57.272 58.200 -0.296 0.000 1.063 604 S CB 1.807 64.562 63.200 -0.742 0.000 0.972 604 S HN -0.020 nan 8.310 nan 0.000 0.486 605 K N 3.529 123.440 120.400 -0.815 0.000 2.063 605 K HA -0.199 4.121 4.320 0.001 0.000 0.208 605 K C 2.082 178.404 176.600 -0.463 0.000 1.048 605 K CA 1.882 57.577 56.287 -0.986 0.000 0.928 605 K CB -0.256 31.898 32.500 -0.575 0.000 0.713 605 K HN 0.830 nan 8.250 nan 0.000 0.442 606 Q N -0.303 119.243 119.800 -0.423 0.000 2.084 606 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 606 Q C 1.780 177.297 176.000 -0.806 0.000 0.978 606 Q CA 1.808 57.344 55.803 -0.445 0.000 0.844 606 Q CB -0.092 28.451 28.738 -0.326 0.000 0.898 606 Q HN 0.657 nan 8.270 nan 0.000 0.426 607 H N -1.241 117.280 119.070 -0.915 0.000 2.363 607 H HA -0.111 4.445 4.556 0.001 0.000 0.301 607 H C 1.916 176.953 175.328 -0.484 0.000 1.074 607 H CA 0.758 56.203 56.048 -1.004 0.000 1.354 607 H CB -0.091 29.408 29.762 -0.438 0.000 1.397 607 H HN 0.294 nan 8.280 nan 0.000 0.516 608 F N 2.591 122.373 119.950 -0.280 0.000 2.120 608 F HA -0.229 4.298 4.527 0.001 0.000 0.300 608 F C 2.180 177.824 175.800 -0.261 0.000 1.095 608 F CA 1.346 59.215 58.000 -0.218 0.000 1.249 608 F CB 0.010 38.926 39.000 -0.140 0.000 0.995 608 F HN 0.039 nan 8.300 nan 0.000 0.480 609 E N -0.340 119.711 120.200 -0.248 0.000 2.204 609 E HA -0.201 4.149 4.350 0.001 0.000 0.194 609 E C 2.124 178.652 176.600 -0.121 0.000 0.989 609 E CA 1.102 57.360 56.400 -0.236 0.000 0.824 609 E CB -0.595 29.045 29.700 -0.100 0.000 0.756 609 E HN 0.572 nan 8.360 nan 0.000 0.477 610 W N 0.799 122.035 121.300 -0.108 0.000 2.407 610 W HA 0.023 4.683 4.660 0.001 0.000 0.305 610 W C 2.252 178.658 176.519 -0.188 0.000 1.196 610 W CA 0.185 57.502 57.345 -0.047 0.000 1.311 610 W CB -1.275 28.211 29.460 0.042 0.000 1.135 610 W HN 0.043 nan 8.180 nan 0.000 0.514 611 L N -0.220 120.931 121.223 -0.119 0.000 2.056 611 L HA -0.195 4.146 4.340 0.001 0.000 0.207 611 L C 2.378 178.815 176.870 -0.722 0.000 1.078 611 L CA 0.863 55.389 54.840 -0.523 0.000 0.749 611 L CB -0.953 40.909 42.059 -0.328 0.000 0.901 611 L HN -0.166 nan 8.230 nan 0.000 0.433 612 I N -0.038 120.072 120.570 -0.767 0.000 2.567 612 I HA -0.242 3.928 4.170 0.001 0.000 0.257 612 I C 2.249 178.138 176.117 -0.380 0.000 1.184 612 I CA 1.503 62.363 61.300 -0.734 0.000 1.451 612 I CB -0.345 36.983 38.000 -1.119 0.000 1.089 612 I HN 0.116 nan 8.210 nan 0.000 0.441 613 K N -0.713 119.530 120.400 -0.261 0.000 2.217 613 K HA -0.124 4.197 4.320 0.001 0.000 0.202 613 K C 1.333 177.943 176.600 0.017 0.000 1.051 613 K CA 1.652 57.903 56.287 -0.061 0.000 0.952 613 K CB -0.075 32.458 32.500 0.055 0.000 0.736 613 K HN 0.618 nan 8.250 nan 0.000 0.453 614 Y N -2.565 117.695 120.300 -0.067 0.000 2.432 614 Y HA 0.325 4.875 4.550 0.001 0.000 0.252 614 Y C 0.460 176.258 175.900 -0.170 0.000 1.097 614 Y CA -0.812 57.205 58.100 -0.139 0.000 1.250 614 Y CB -0.065 38.325 38.460 -0.115 0.000 1.245 614 Y HN -0.264 nan 8.280 nan 0.000 0.522 615 S N 3.950 119.422 115.700 -0.380 0.000 2.737 615 S HA 0.028 4.498 4.470 0.001 0.000 0.315 615 S C -1.435 173.114 174.600 -0.086 0.000 1.236 615 S CA -0.693 57.388 58.200 -0.199 0.000 1.093 615 S CB 0.551 63.719 63.200 -0.053 0.000 0.832 615 S HN 0.231 nan 8.310 nan 0.000 0.507 616 P HA -0.114 nan 4.420 nan 0.000 0.215 616 P C 1.538 178.757 177.300 -0.135 0.000 1.153 616 P CA 0.502 63.425 63.100 -0.295 0.000 0.853 616 P CB 0.047 31.261 31.700 -0.810 0.000 0.788 617 L N -1.176 119.914 121.223 -0.222 0.000 2.191 617 L HA -0.144 4.197 4.340 0.001 0.000 0.212 617 L C 1.195 177.865 176.870 -0.334 0.000 1.103 617 L CA 2.054 56.772 54.840 -0.203 0.000 0.769 617 L CB -1.169 40.649 42.059 -0.402 0.000 0.908 617 L HN 0.098 nan 8.230 nan 0.000 0.438 618 H N -1.764 117.329 119.070 0.038 0.000 2.542 618 H HA 0.349 4.905 4.556 0.001 0.000 0.283 618 H C 0.466 175.812 175.328 0.031 0.000 1.059 618 H CA 0.071 56.132 56.048 0.022 0.000 1.162 618 H CB 0.098 29.829 29.762 -0.051 0.000 1.539 618 H HN 0.275 nan 8.280 nan 0.000 0.543 619 N N 0.499 119.274 118.700 0.127 0.000 2.307 619 N HA 0.079 4.819 4.740 0.001 0.000 0.248 619 N C -0.772 174.843 175.510 0.175 0.000 1.322 619 N CA 0.129 53.253 53.050 0.122 0.000 0.861 619 N CB 1.957 40.489 38.487 0.076 0.000 1.303 619 N HN -0.021 nan 8.380 nan 0.000 0.498 620 V N 1.755 121.779 119.914 0.184 0.000 2.470 620 V HA 0.168 4.289 4.120 0.001 0.000 0.276 620 V C 0.436 176.598 176.094 0.114 0.000 1.040 620 V CA 0.339 62.741 62.300 0.170 0.000 1.008 620 V CB 0.708 32.567 31.823 0.061 0.000 0.990 620 V HN 0.091 nan 8.190 nan 0.000 0.477 621 K N 4.910 125.408 120.400 0.164 0.000 2.535 621 K HA 0.462 4.782 4.320 0.001 0.000 0.251 621 K C -0.997 175.697 176.600 0.157 0.000 0.942 621 K CA -0.885 55.475 56.287 0.122 0.000 0.798 621 K CB 1.759 34.337 32.500 0.131 0.000 1.267 621 K HN 0.537 nan 8.250 nan 0.000 0.434 622 L N 5.002 126.265 121.223 0.066 0.000 2.540 622 L HA 0.080 4.421 4.340 0.001 0.000 0.276 622 L C -1.966 174.987 176.870 0.140 0.000 1.212 622 L CA -1.391 53.497 54.840 0.081 0.000 0.893 622 L CB 0.105 42.178 42.059 0.024 0.000 1.138 622 L HN 0.485 nan 8.230 nan 0.000 0.491 623 P HA 0.007 nan 4.420 nan 0.000 0.266 623 P C 0.266 177.610 177.300 0.074 0.000 1.195 623 P CA -0.089 63.085 63.100 0.123 0.000 0.768 623 P CB 0.565 32.334 31.700 0.116 0.000 0.838 624 E N 1.805 122.038 120.200 0.055 0.000 2.051 624 E HA -0.121 4.229 4.350 0.001 0.000 0.192 624 E C 0.668 177.286 176.600 0.031 0.000 0.991 624 E CA 0.914 57.338 56.400 0.039 0.000 0.799 624 E CB -0.173 29.547 29.700 0.033 0.000 0.748 624 E HN 0.544 nan 8.360 nan 0.000 0.449 625 A N 1.892 124.729 122.820 0.028 0.000 2.450 625 A HA 0.003 4.323 4.320 0.001 0.000 0.255 625 A C 0.366 177.964 177.584 0.023 0.000 1.096 625 A CA -0.336 51.714 52.037 0.021 0.000 0.778 625 A CB 0.387 19.395 19.000 0.014 0.000 1.031 625 A HN -0.026 nan 8.150 nan 0.000 0.494 626 D N 1.144 121.555 120.400 0.018 0.000 2.221 626 D HA -0.147 4.494 4.640 0.001 0.000 0.204 626 D C 1.033 177.344 176.300 0.018 0.000 0.982 626 D CA 1.841 55.851 54.000 0.017 0.000 0.857 626 D CB 0.049 40.856 40.800 0.012 0.000 0.934 626 D HN 0.785 nan 8.370 nan 0.000 0.475 627 D N -0.232 120.177 120.400 0.015 0.000 2.328 627 D HA -0.024 4.617 4.640 0.001 0.000 0.221 627 D C 0.469 176.779 176.300 0.017 0.000 1.072 627 D CA -0.100 53.907 54.000 0.013 0.000 0.850 627 D CB -0.000 40.803 40.800 0.006 0.000 0.922 627 D HN 0.193 nan 8.370 nan 0.000 0.516 628 I N 1.413 121.998 120.570 0.025 0.000 2.406 628 I HA 0.241 4.411 4.170 0.001 0.000 0.290 628 I C 0.091 176.246 176.117 0.064 0.000 0.999 628 I CA -0.864 60.455 61.300 0.032 0.000 1.124 628 I CB 1.709 39.721 38.000 0.020 0.000 1.289 628 I HN -0.030 nan 8.210 nan 0.000 0.441 629 Q N 4.482 124.331 119.800 0.081 0.000 2.572 629 Q HA 0.500 4.840 4.340 0.001 0.000 0.284 629 Q C -1.354 174.768 176.000 0.203 0.000 1.091 629 Q CA -0.945 54.944 55.803 0.143 0.000 0.840 629 Q CB 1.372 30.176 28.738 0.111 0.000 1.433 629 Q HN 0.350 nan 8.270 nan 0.000 0.471 630 Y N 1.200 121.523 120.300 0.039 0.000 2.457 630 Y HA 0.208 4.759 4.550 0.001 0.000 0.341 630 Y C -1.920 174.025 175.900 0.075 0.000 1.240 630 Y CA -1.630 56.504 58.100 0.057 0.000 1.437 630 Y CB 0.096 38.576 38.460 0.034 0.000 1.328 630 Y HN 0.534 nan 8.280 nan 0.000 0.588 631 P HA 0.028 nan 4.420 nan 0.000 0.271 631 P C -0.659 176.760 177.300 0.199 0.000 1.233 631 P CA -0.278 62.924 63.100 0.169 0.000 0.789 631 P CB 0.483 32.291 31.700 0.180 0.000 0.951 632 S N 0.877 116.681 115.700 0.173 0.000 2.549 632 S HA 0.214 4.684 4.470 0.001 0.000 0.286 632 S C 0.380 175.186 174.600 0.344 0.000 1.314 632 S CA 0.217 58.547 58.200 0.217 0.000 1.062 632 S CB -0.569 62.662 63.200 0.052 0.000 0.865 632 S HN 0.302 nan 8.310 nan 0.000 0.498 633 M N 3.218 123.037 119.600 0.366 0.000 2.395 633 M HA 0.511 4.992 4.480 0.001 0.000 0.307 633 M C -1.333 174.974 176.300 0.011 0.000 1.091 633 M CA -0.768 54.662 55.300 0.217 0.000 0.919 633 M CB 1.904 34.566 32.600 0.104 0.000 1.662 633 M HN 0.429 nan 8.290 nan 0.000 0.440 634 L N 4.408 125.481 121.223 -0.250 0.000 2.376 634 L HA 0.637 4.978 4.340 0.001 0.000 0.275 634 L C -1.767 174.955 176.870 -0.246 0.000 0.987 634 L CA -0.272 54.243 54.840 -0.541 0.000 0.828 634 L CB 1.465 42.798 42.059 -1.210 0.000 1.249 634 L HN 0.667 nan 8.230 nan 0.000 0.409 635 L N 6.039 127.171 121.223 -0.151 0.000 2.295 635 L HA 0.536 4.876 4.340 0.001 0.000 0.285 635 L C -0.787 176.054 176.870 -0.049 0.000 1.035 635 L CA -0.634 54.176 54.840 -0.050 0.000 0.806 635 L CB 1.455 43.528 42.059 0.023 0.000 1.214 635 L HN 0.521 nan 8.230 nan 0.000 0.426 636 L N 2.878 124.085 121.223 -0.026 0.000 2.333 636 L HA 0.668 5.008 4.340 0.001 0.000 0.280 636 L C -0.040 176.836 176.870 0.010 0.000 1.004 636 L CA -0.079 54.760 54.840 -0.001 0.000 0.820 636 L CB 1.993 44.051 42.059 -0.002 0.000 1.247 636 L HN 0.626 nan 8.230 nan 0.000 0.416 637 T N 1.651 116.209 114.554 0.007 0.000 2.647 637 T HA 0.905 5.256 4.350 0.001 0.000 0.295 637 T C -1.786 172.917 174.700 0.005 0.000 1.126 637 T CA -0.171 61.944 62.100 0.025 0.000 1.040 637 T CB 2.093 70.990 68.868 0.050 0.000 1.472 637 T HN 0.730 nan 8.240 nan 0.000 0.500 638 A N 0.684 123.527 122.820 0.039 0.000 2.594 638 A HA 0.607 4.928 4.320 0.001 0.000 0.295 638 A C -0.048 177.582 177.584 0.076 0.000 1.071 638 A CA -0.067 51.996 52.037 0.044 0.000 0.685 638 A CB 1.320 20.363 19.000 0.072 0.000 1.285 638 A HN 0.852 nan 8.150 nan 0.000 0.405 639 D N -0.537 119.918 120.400 0.091 0.000 2.363 639 D HA -0.027 4.614 4.640 0.001 0.000 0.220 639 D C 0.436 176.731 176.300 -0.009 0.000 0.994 639 D CA 1.396 55.421 54.000 0.042 0.000 0.890 639 D CB -0.248 40.562 40.800 0.017 0.000 0.906 639 D HN 0.590 nan 8.370 nan 0.000 0.530 640 H N -0.465 118.638 119.070 0.055 0.000 2.486 640 H HA 0.220 4.777 4.556 0.001 0.000 0.284 640 H C -0.552 174.829 175.328 0.089 0.000 1.103 640 H CA -0.645 55.447 56.048 0.074 0.000 1.089 640 H CB 0.110 29.918 29.762 0.076 0.000 1.603 640 H HN -0.024 nan 8.280 nan 0.000 0.557 641 D N 1.766 122.272 120.400 0.178 0.000 2.416 641 D HA -0.046 4.595 4.640 0.001 0.000 0.240 641 D C 0.288 176.670 176.300 0.137 0.000 1.250 641 D CA -0.043 54.066 54.000 0.181 0.000 0.967 641 D CB 0.221 41.148 40.800 0.211 0.000 1.059 641 D HN 0.432 nan 8.370 nan 0.000 0.512 642 D N 1.946 122.416 120.400 0.116 0.000 2.339 642 D HA -0.044 4.596 4.640 0.001 0.000 0.217 642 D C 1.572 177.914 176.300 0.069 0.000 1.050 642 D CA -0.109 53.937 54.000 0.077 0.000 0.856 642 D CB 0.199 41.026 40.800 0.045 0.000 0.922 642 D HN 0.198 nan 8.370 nan 0.000 0.518 643 R N 0.505 121.029 120.500 0.041 0.000 2.052 643 R HA 0.145 4.486 4.340 0.001 0.000 0.224 643 R C 0.039 176.420 176.300 0.134 0.000 1.149 643 R CA 0.889 56.980 56.100 -0.014 0.000 0.962 643 R CB -0.071 29.982 30.300 -0.411 0.000 0.856 643 R HN 0.027 nan 8.270 nan 0.000 0.433 644 V N 3.238 123.183 119.914 0.052 0.000 2.284 644 V HA 0.255 4.376 4.120 0.001 0.000 0.274 644 V C -0.558 175.707 176.094 0.286 0.000 1.023 644 V CA -1.022 61.433 62.300 0.258 0.000 0.808 644 V CB 1.146 33.044 31.823 0.124 0.000 1.035 644 V HN 0.241 nan 8.190 nan 0.000 0.445 645 V N 4.512 124.617 119.914 0.319 0.000 2.694 645 V HA 0.152 4.273 4.120 0.001 0.000 0.306 645 V C -0.768 175.404 176.094 0.129 0.000 1.054 645 V CA -0.595 61.791 62.300 0.142 0.000 1.161 645 V CB 0.282 32.085 31.823 -0.033 0.000 0.916 645 V HN 0.629 nan 8.190 nan 0.000 0.490 646 P HA -0.119 nan 4.420 nan 0.000 0.225 646 P C 1.581 178.873 177.300 -0.013 0.000 1.148 646 P CA 1.141 64.270 63.100 0.050 0.000 0.779 646 P CB -0.031 31.686 31.700 0.028 0.000 0.780 647 L N -2.462 118.680 121.223 -0.135 0.000 2.197 647 L HA -0.191 4.149 4.340 0.001 0.000 0.215 647 L C 2.434 179.187 176.870 -0.195 0.000 1.095 647 L CA 1.964 56.660 54.840 -0.241 0.000 0.764 647 L CB -2.363 39.457 42.059 -0.398 0.000 0.897 647 L HN -0.025 nan 8.230 nan 0.000 0.436 648 H N 0.242 119.282 119.070 -0.050 0.000 2.319 648 H HA -0.093 4.464 4.556 0.001 0.000 0.299 648 H C 2.404 177.742 175.328 0.017 0.000 1.092 648 H CA 1.937 57.984 56.048 -0.001 0.000 1.302 648 H CB -0.147 29.637 29.762 0.038 0.000 1.373 648 H HN 0.507 nan 8.280 nan 0.000 0.497 649 S N 0.429 116.228 115.700 0.165 0.000 2.414 649 S HA -0.009 4.461 4.470 0.001 0.000 0.227 649 S C 2.497 177.164 174.600 0.112 0.000 1.022 649 S CA 0.233 58.528 58.200 0.159 0.000 0.958 649 S CB -0.028 63.243 63.200 0.120 0.000 0.797 649 S HN 0.220 nan 8.310 nan 0.000 0.493 650 L N 1.308 122.547 121.223 0.027 0.000 2.017 650 L HA -0.142 4.198 4.340 0.001 0.000 0.208 650 L C 2.422 179.160 176.870 -0.220 0.000 1.073 650 L CA 1.342 56.151 54.840 -0.052 0.000 0.745 650 L CB -0.601 41.322 42.059 -0.227 0.000 0.894 650 L HN 0.240 nan 8.230 nan 0.000 0.432 651 K N -0.609 119.658 120.400 -0.221 0.000 2.097 651 K HA -0.162 4.158 4.320 0.001 0.000 0.205 651 K C 2.141 178.711 176.600 -0.051 0.000 1.050 651 K CA 1.194 57.351 56.287 -0.217 0.000 0.938 651 K CB -0.263 32.153 32.500 -0.141 0.000 0.718 651 K HN 0.074 nan 8.250 nan 0.000 0.442 652 F N 1.947 121.821 119.950 -0.127 0.000 2.102 652 F HA -0.181 4.347 4.527 0.001 0.000 0.298 652 F C 2.073 177.810 175.800 -0.105 0.000 1.105 652 F CA 0.842 58.787 58.000 -0.092 0.000 1.239 652 F CB -0.340 38.630 39.000 -0.049 0.000 0.991 652 F HN -0.133 nan 8.300 nan 0.000 0.474 653 I N 0.375 120.874 120.570 -0.118 0.000 2.315 653 I HA -0.114 4.056 4.170 0.001 0.000 0.248 653 I C 2.420 178.381 176.117 -0.260 0.000 1.117 653 I CA 1.479 62.633 61.300 -0.244 0.000 1.404 653 I CB -0.975 36.960 38.000 -0.109 0.000 1.071 653 I HN 0.132 nan 8.210 nan 0.000 0.419 654 A N -0.771 121.906 122.820 -0.239 0.000 1.908 654 A HA -0.235 4.085 4.320 0.001 0.000 0.218 654 A C 2.354 179.662 177.584 -0.461 0.000 1.181 654 A CA 2.570 54.312 52.037 -0.493 0.000 0.627 654 A CB -1.381 16.907 19.000 -1.186 0.000 0.818 654 A HN 0.455 nan 8.150 nan 0.000 0.445 655 T N 0.444 114.825 114.554 -0.290 0.000 2.737 655 T HA -0.068 4.282 4.350 0.001 0.000 0.265 655 T C 1.842 176.469 174.700 -0.122 0.000 1.038 655 T CA 1.413 63.514 62.100 0.002 0.000 1.144 655 T CB -0.419 68.494 68.868 0.075 0.000 0.866 655 T HN 0.360 nan 8.240 nan 0.000 0.434 656 L N 0.826 121.841 121.223 -0.348 0.000 1.990 656 L HA -0.212 4.128 4.340 0.001 0.000 0.213 656 L C 2.927 179.568 176.870 -0.382 0.000 1.072 656 L CA 1.603 56.175 54.840 -0.447 0.000 0.755 656 L CB -0.633 41.063 42.059 -0.605 0.000 0.889 656 L HN 0.315 nan 8.230 nan 0.000 0.432 657 Q N -1.578 117.975 119.800 -0.412 0.000 2.170 657 Q HA -0.243 4.097 4.340 0.001 0.000 0.203 657 Q C 1.995 177.867 176.000 -0.214 0.000 0.976 657 Q CA 1.757 57.246 55.803 -0.523 0.000 0.858 657 Q CB -0.163 28.154 28.738 -0.701 0.000 0.907 657 Q HN 0.498 nan 8.270 nan 0.000 0.433 658 Y N 0.514 120.706 120.300 -0.180 0.000 2.201 658 Y HA -0.130 4.420 4.550 0.001 0.000 0.292 658 Y C 1.871 177.739 175.900 -0.054 0.000 1.119 658 Y CA 0.970 59.045 58.100 -0.042 0.000 1.127 658 Y CB 0.116 38.629 38.460 0.088 0.000 1.019 658 Y HN -0.022 nan 8.280 nan 0.000 0.514 659 I N -0.858 119.671 120.570 -0.069 0.000 2.286 659 I HA -0.157 4.014 4.170 0.001 0.000 0.245 659 I C 2.039 178.021 176.117 -0.226 0.000 1.104 659 I CA 1.132 62.339 61.300 -0.155 0.000 1.397 659 I CB -1.050 36.928 38.000 -0.037 0.000 1.072 659 I HN 0.189 nan 8.210 nan 0.000 0.417 660 V N 0.234 119.983 119.914 -0.275 0.000 2.788 660 V HA 0.173 4.293 4.120 0.001 0.000 0.241 660 V C 2.501 178.484 176.094 -0.185 0.000 1.083 660 V CA 1.199 63.320 62.300 -0.298 0.000 1.103 660 V CB -0.665 30.808 31.823 -0.584 0.000 0.800 660 V HN 0.384 nan 8.190 nan 0.000 0.476 661 G N 0.356 109.042 108.800 -0.190 0.000 2.448 661 G HA2 -0.212 3.748 3.960 0.001 0.000 0.219 661 G HA3 -0.212 3.748 3.960 0.001 0.000 0.219 661 G C 1.668 176.608 174.900 0.067 0.000 1.127 661 G CA 0.492 45.572 45.100 -0.033 0.000 0.766 661 G HN 0.415 nan 8.290 nan 0.000 0.552 662 R N 0.776 121.251 120.500 -0.042 0.000 2.235 662 R HA 0.047 4.388 4.340 0.001 0.000 0.213 662 R C 1.372 177.642 176.300 -0.050 0.000 1.059 662 R CA 0.574 56.647 56.100 -0.044 0.000 0.997 662 R CB -0.103 30.102 30.300 -0.158 0.000 0.884 662 R HN 0.440 nan 8.270 nan 0.000 0.462 663 S N 0.545 116.209 115.700 -0.061 0.000 2.564 663 S HA 0.112 4.582 4.470 0.001 0.000 0.278 663 S C 0.969 175.556 174.600 -0.020 0.000 1.333 663 S CA -0.624 57.549 58.200 -0.045 0.000 1.048 663 S CB 1.559 64.731 63.200 -0.046 0.000 0.900 663 S HN 0.161 nan 8.310 nan 0.000 0.505 664 R N 2.107 122.596 120.500 -0.018 0.000 2.120 664 R HA -0.115 4.225 4.340 0.001 0.000 0.234 664 R C 2.075 178.371 176.300 -0.006 0.000 1.123 664 R CA 1.731 57.823 56.100 -0.014 0.000 0.975 664 R CB -0.406 29.887 30.300 -0.013 0.000 0.866 664 R HN 0.915 nan 8.270 nan 0.000 0.446 665 K N 0.657 121.057 120.400 0.001 0.000 2.432 665 K HA -0.086 4.234 4.320 0.001 0.000 0.196 665 K C 0.747 177.360 176.600 0.022 0.000 1.038 665 K CA 0.524 56.818 56.287 0.012 0.000 0.986 665 K CB 0.126 32.637 32.500 0.019 0.000 0.782 665 K HN -0.131 nan 8.250 nan 0.000 0.485 666 Q N 1.967 121.779 119.800 0.020 0.000 2.361 666 Q HA 0.163 4.503 4.340 0.001 0.000 0.250 666 Q C -0.768 175.250 176.000 0.031 0.000 1.023 666 Q CA 0.179 56.005 55.803 0.039 0.000 0.915 666 Q CB 1.056 29.814 28.738 0.033 0.000 1.238 666 Q HN 0.344 nan 8.270 nan 0.000 0.451 667 N N 2.225 120.945 118.700 0.033 0.000 2.273 667 N HA 0.122 4.862 4.740 0.001 0.000 0.192 667 N C -0.698 174.833 175.510 0.035 0.000 1.132 667 N CA -0.255 52.803 53.050 0.012 0.000 0.887 667 N CB 0.509 38.999 38.487 0.005 0.000 1.048 667 N HN 0.423 nan 8.380 nan 0.000 0.490 668 N N 2.507 121.250 118.700 0.070 0.000 2.513 668 N HA 0.138 4.878 4.740 0.001 0.000 0.268 668 N C -2.508 173.078 175.510 0.126 0.000 1.180 668 N CA -1.028 52.078 53.050 0.093 0.000 0.948 668 N CB 0.507 39.060 38.487 0.111 0.000 1.083 668 N HN 0.131 nan 8.380 nan 0.000 0.455 669 P HA 0.193 nan 4.420 nan 0.000 0.275 669 P C -0.700 176.741 177.300 0.235 0.000 1.228 669 P CA -0.147 63.071 63.100 0.196 0.000 0.786 669 P CB 0.895 32.563 31.700 -0.054 0.000 0.927 670 L N 3.285 124.662 121.223 0.256 0.000 2.388 670 L HA 0.480 4.820 4.340 0.001 0.000 0.267 670 L C -0.044 176.818 176.870 -0.013 0.000 0.995 670 L CA -0.298 54.573 54.840 0.051 0.000 0.864 670 L CB 0.771 42.751 42.059 -0.133 0.000 1.216 670 L HN 0.210 nan 8.230 nan 0.000 0.430 671 L N 3.596 124.778 121.223 -0.068 0.000 2.354 671 L HA 0.661 5.002 4.340 0.001 0.000 0.264 671 L C -0.786 175.986 176.870 -0.163 0.000 1.008 671 L CA -0.701 54.059 54.840 -0.133 0.000 0.819 671 L CB 3.210 45.153 42.059 -0.195 0.000 1.339 671 L HN 0.461 nan 8.230 nan 0.000 0.420 672 I N 0.356 120.847 120.570 -0.132 0.000 2.689 672 I HA 0.414 4.585 4.170 0.001 0.000 0.299 672 I C -1.213 174.890 176.117 -0.023 0.000 1.059 672 I CA -0.335 60.916 61.300 -0.083 0.000 1.055 672 I CB 2.124 40.090 38.000 -0.056 0.000 1.243 672 I HN 0.641 nan 8.210 nan 0.000 0.425 673 H N 6.750 125.758 119.070 -0.103 0.000 2.658 673 H HA 0.485 5.042 4.556 0.001 0.000 0.337 673 H C -1.858 173.450 175.328 -0.034 0.000 1.009 673 H CA -0.656 55.348 56.048 -0.073 0.000 1.231 673 H CB 1.951 31.668 29.762 -0.075 0.000 1.508 673 H HN 0.364 nan 8.280 nan 0.000 0.517 674 V N 5.650 125.289 119.914 -0.457 0.000 2.328 674 V HA 0.050 4.170 4.120 0.001 0.000 0.278 674 V C 0.302 176.112 176.094 -0.473 0.000 1.021 674 V CA -0.658 61.447 62.300 -0.324 0.000 0.838 674 V CB 1.125 32.868 31.823 -0.133 0.000 0.999 674 V HN 0.742 nan 8.190 nan 0.000 0.447 675 D N 3.415 123.618 120.400 -0.328 0.000 2.354 675 D HA 0.479 5.119 4.640 0.001 0.000 0.247 675 D C 0.376 176.652 176.300 -0.039 0.000 1.138 675 D CA 0.064 53.957 54.000 -0.179 0.000 0.958 675 D CB 1.605 42.388 40.800 -0.028 0.000 1.144 675 D HN 0.673 nan 8.370 nan 0.000 0.458 676 T N -1.243 113.319 114.554 0.013 0.000 2.945 676 T HA 0.402 4.753 4.350 0.001 0.000 0.286 676 T C 0.051 174.787 174.700 0.061 0.000 1.025 676 T CA -0.905 61.236 62.100 0.069 0.000 1.039 676 T CB 1.162 70.067 68.868 0.061 0.000 1.068 676 T HN 0.496 nan 8.240 nan 0.000 0.497 677 K N -0.493 119.942 120.400 0.059 0.000 3.069 677 K HA -0.102 4.219 4.320 0.001 0.000 0.267 677 K C -0.004 176.547 176.600 -0.082 0.000 1.082 677 K CA 0.654 56.868 56.287 -0.121 0.000 0.782 677 K CB -2.026 30.430 32.500 -0.073 0.000 1.230 677 K HN 1.029 nan 8.250 nan 0.000 0.488 678 A N -0.884 121.942 122.820 0.011 0.000 2.569 678 A HA 0.871 5.192 4.320 0.001 0.000 0.290 678 A C 0.225 177.877 177.584 0.114 0.000 1.136 678 A CA -0.073 51.990 52.037 0.042 0.000 0.710 678 A CB 1.974 21.003 19.000 0.050 0.000 1.303 678 A HN 0.247 nan 8.150 nan 0.000 0.413 679 G N -1.381 107.488 108.800 0.114 0.000 3.214 679 G HA2 0.405 4.366 3.960 0.001 0.000 0.188 679 G HA3 0.405 4.366 3.960 0.001 0.000 0.188 679 G C 0.415 175.420 174.900 0.174 0.000 1.126 679 G CA 0.456 45.655 45.100 0.165 0.000 0.796 679 G HN 0.856 nan 8.290 nan 0.000 0.631 680 H N -0.574 118.542 119.070 0.077 0.000 2.457 680 H HA 0.189 4.746 4.556 0.001 0.000 0.294 680 H C 1.874 177.232 175.328 0.050 0.000 1.064 680 H CA 2.574 58.660 56.048 0.063 0.000 1.330 680 H CB 0.319 30.122 29.762 0.069 0.000 1.395 680 H HN 0.818 nan 8.280 nan 0.000 0.541 681 G N -1.878 106.965 108.800 0.072 0.000 3.505 681 G HA2 -0.067 3.893 3.960 0.001 0.000 0.210 681 G HA3 -0.067 3.893 3.960 0.001 0.000 0.210 681 G C 0.283 175.207 174.900 0.040 0.000 1.047 681 G CA -0.120 44.986 45.100 0.010 0.000 0.884 681 G HN 0.580 nan 8.290 nan 0.000 0.434 682 A N 0.702 123.563 122.820 0.069 0.000 2.511 682 A HA 0.565 4.885 4.320 0.001 0.000 0.242 682 A C 1.912 179.529 177.584 0.055 0.000 1.069 682 A CA 1.817 53.889 52.037 0.060 0.000 0.763 682 A CB -0.283 18.762 19.000 0.076 0.000 1.001 682 A HN 2.400 nan 8.150 nan 0.000 0.498 683 G N 1.172 109.997 108.800 0.042 0.000 2.162 683 G HA2 -0.278 3.682 3.960 0.001 0.000 0.260 683 G HA3 -0.278 3.682 3.960 0.001 0.000 0.260 683 G C 0.372 175.295 174.900 0.038 0.000 0.976 683 G CA 0.716 45.840 45.100 0.040 0.000 0.655 683 G HN 1.059 nan 8.290 nan 0.000 0.533 684 K N 1.876 122.300 120.400 0.040 0.000 2.451 684 K HA 0.321 4.642 4.320 0.001 0.000 0.280 684 K C -1.541 175.085 176.600 0.043 0.000 1.020 684 K CA -1.047 55.264 56.287 0.040 0.000 1.008 684 K CB 0.654 33.178 32.500 0.039 0.000 0.917 684 K HN 0.159 nan 8.250 nan 0.000 0.478 685 P HA -0.021 nan 4.420 nan 0.000 0.271 685 P C 0.173 177.510 177.300 0.062 0.000 1.218 685 P CA -0.156 62.969 63.100 0.041 0.000 0.780 685 P CB 0.821 32.539 31.700 0.030 0.000 0.901 686 T N 2.066 116.665 114.554 0.075 0.000 2.685 686 T HA -0.254 4.096 4.350 0.001 0.000 0.268 686 T C 1.860 176.625 174.700 0.109 0.000 1.034 686 T CA 2.456 64.635 62.100 0.131 0.000 1.149 686 T CB -0.731 68.203 68.868 0.110 0.000 0.860 686 T HN 0.567 nan 8.240 nan 0.000 0.449 687 A N 1.445 124.307 122.820 0.071 0.000 1.908 687 A HA -0.168 4.153 4.320 0.001 0.000 0.218 687 A C 2.287 179.906 177.584 0.058 0.000 1.181 687 A CA 1.756 53.829 52.037 0.060 0.000 0.627 687 A CB -0.437 18.588 19.000 0.042 0.000 0.818 687 A HN 0.480 nan 8.150 nan 0.000 0.445 688 K N -0.622 119.811 120.400 0.054 0.000 2.103 688 K HA -0.001 4.319 4.320 0.001 0.000 0.204 688 K C 1.881 178.511 176.600 0.049 0.000 1.052 688 K CA 1.120 57.438 56.287 0.053 0.000 0.945 688 K CB -0.266 32.264 32.500 0.049 0.000 0.722 688 K HN 0.308 nan 8.250 nan 0.000 0.443 689 V N 1.975 121.919 119.914 0.049 0.000 2.295 689 V HA -0.264 3.857 4.120 0.001 0.000 0.246 689 V C 2.167 178.265 176.094 0.007 0.000 1.049 689 V CA 1.664 63.978 62.300 0.024 0.000 1.024 689 V CB -0.367 31.471 31.823 0.025 0.000 0.648 689 V HN 0.278 nan 8.190 nan 0.000 0.447 690 I N -0.370 120.215 120.570 0.026 0.000 2.226 690 I HA -0.191 3.979 4.170 0.001 0.000 0.245 690 I C 2.647 178.804 176.117 0.066 0.000 1.100 690 I CA 1.295 62.621 61.300 0.043 0.000 1.374 690 I CB -0.443 37.600 38.000 0.073 0.000 1.057 690 I HN 0.308 nan 8.210 nan 0.000 0.413 691 E N 0.585 120.816 120.200 0.052 0.000 2.110 691 E HA -0.272 4.079 4.350 0.001 0.000 0.193 691 E C 1.932 178.546 176.600 0.022 0.000 0.988 691 E CA 1.245 57.667 56.400 0.038 0.000 0.804 691 E CB -0.274 29.448 29.700 0.036 0.000 0.745 691 E HN 0.572 nan 8.360 nan 0.000 0.458 692 E N 0.737 120.955 120.200 0.030 0.000 2.047 692 E HA -0.145 4.205 4.350 0.001 0.000 0.191 692 E C 2.189 178.791 176.600 0.002 0.000 0.987 692 E CA 1.743 58.153 56.400 0.017 0.000 0.799 692 E CB 0.111 29.828 29.700 0.028 0.000 0.752 692 E HN 0.151 nan 8.360 nan 0.000 0.449 693 V N -1.048 118.891 119.914 0.041 0.000 2.515 693 V HA -0.155 3.966 4.120 0.001 0.000 0.250 693 V C 2.202 178.287 176.094 -0.016 0.000 1.058 693 V CA 1.848 64.204 62.300 0.094 0.000 1.064 693 V CB -0.525 31.427 31.823 0.215 0.000 0.675 693 V HN 0.120 nan 8.190 nan 0.000 0.461 694 S N 0.713 116.419 115.700 0.010 0.000 2.368 694 S HA -0.185 4.285 4.470 0.001 0.000 0.225 694 S C 1.716 176.258 174.600 -0.097 0.000 1.030 694 S CA 1.744 59.908 58.200 -0.060 0.000 0.999 694 S CB -0.566 62.695 63.200 0.102 0.000 0.844 694 S HN 0.691 nan 8.310 nan 0.000 0.459 695 D N 1.499 121.860 120.400 -0.064 0.000 2.104 695 D HA -0.072 4.568 4.640 0.001 0.000 0.194 695 D C 1.942 178.209 176.300 -0.055 0.000 0.994 695 D CA 1.130 55.093 54.000 -0.063 0.000 0.830 695 D CB -0.345 40.392 40.800 -0.105 0.000 0.959 695 D HN 0.358 nan 8.370 nan 0.000 0.452 696 M N -0.579 118.941 119.600 -0.133 0.000 2.065 696 M HA -0.160 4.321 4.480 0.001 0.000 0.259 696 M C 2.075 178.197 176.300 -0.297 0.000 1.069 696 M CA 1.417 56.574 55.300 -0.238 0.000 1.110 696 M CB -0.369 31.985 32.600 -0.409 0.000 1.328 696 M HN -0.035 nan 8.290 nan 0.000 0.405 697 F N -0.079 119.755 119.950 -0.194 0.000 2.367 697 F HA 0.034 4.562 4.527 0.001 0.000 0.298 697 F C 2.550 178.336 175.800 -0.024 0.000 1.094 697 F CA 0.934 58.830 58.000 -0.173 0.000 1.409 697 F CB -0.811 37.880 39.000 -0.516 0.000 1.064 697 F HN 0.096 nan 8.300 nan 0.000 0.528 698 A N -0.221 122.637 122.820 0.064 0.000 1.930 698 A HA -0.199 4.121 4.320 0.001 0.000 0.217 698 A C 2.066 179.743 177.584 0.155 0.000 1.175 698 A CA 1.221 53.319 52.037 0.101 0.000 0.627 698 A CB -1.244 17.784 19.000 0.047 0.000 0.815 698 A HN 0.366 nan 8.150 nan 0.000 0.443 699 F N 0.732 120.706 119.950 0.041 0.000 2.102 699 F HA -0.157 4.370 4.527 0.001 0.000 0.298 699 F C 1.975 177.861 175.800 0.143 0.000 1.105 699 F CA 1.695 59.771 58.000 0.126 0.000 1.239 699 F CB -0.292 38.761 39.000 0.089 0.000 0.991 699 F HN 0.182 nan 8.300 nan 0.000 0.474 700 I N 0.147 120.815 120.570 0.164 0.000 2.163 700 I HA -0.344 3.826 4.170 0.001 0.000 0.243 700 I C 2.695 178.893 176.117 0.135 0.000 1.085 700 I CA 1.368 62.745 61.300 0.128 0.000 1.347 700 I CB -1.013 37.117 38.000 0.217 0.000 1.044 700 I HN 0.229 nan 8.210 nan 0.000 0.408 701 A N 0.623 123.561 122.820 0.197 0.000 1.902 701 A HA -0.257 4.063 4.320 0.001 0.000 0.217 701 A C 2.450 180.086 177.584 0.086 0.000 1.181 701 A CA 1.947 54.099 52.037 0.193 0.000 0.623 701 A CB -0.665 18.480 19.000 0.240 0.000 0.818 701 A HN 0.377 nan 8.150 nan 0.000 0.443 702 R N -0.848 119.660 120.500 0.012 0.000 2.075 702 R HA -0.125 4.216 4.340 0.001 0.000 0.232 702 R C 2.116 178.392 176.300 -0.040 0.000 1.126 702 R CA 1.872 57.935 56.100 -0.062 0.000 0.963 702 R CB -0.608 29.566 30.300 -0.210 0.000 0.858 702 R HN 0.548 nan 8.270 nan 0.000 0.435 703 C N 0.381 119.628 119.300 -0.089 0.000 2.440 703 C HA 0.033 4.494 4.460 0.001 0.000 0.278 703 C C 2.142 177.128 174.990 -0.006 0.000 1.295 703 C CA 0.401 59.370 59.018 -0.081 0.000 1.738 703 C CB -0.574 26.991 27.740 -0.292 0.000 1.987 703 C HN 0.492 nan 8.230 nan 0.000 0.492 704 L N 0.567 121.806 121.223 0.027 0.000 2.607 704 L HA 0.179 4.519 4.340 0.001 0.000 0.228 704 L C 0.539 177.453 176.870 0.072 0.000 1.123 704 L CA 0.060 54.941 54.840 0.068 0.000 0.890 704 L CB -0.673 41.456 42.059 0.117 0.000 1.103 704 L HN 0.292 nan 8.230 nan 0.000 0.468 705 N N 1.912 120.647 118.700 0.059 0.000 2.688 705 N HA -0.214 4.527 4.740 0.001 0.000 0.258 705 N C -0.494 175.065 175.510 0.082 0.000 1.016 705 N CA 0.536 53.621 53.050 0.059 0.000 0.747 705 N CB -1.048 37.464 38.487 0.042 0.000 0.895 705 N HN 0.342 nan 8.380 nan 0.000 0.543 706 I N 0.544 121.184 120.570 0.117 0.000 2.342 706 I HA 0.144 4.315 4.170 0.001 0.000 0.291 706 I C 0.528 176.739 176.117 0.156 0.000 1.010 706 I CA -0.719 60.664 61.300 0.138 0.000 1.308 706 I CB 0.783 38.898 38.000 0.191 0.000 1.400 706 I HN 0.065 nan 8.210 nan 0.000 0.488 707 D N 5.978 126.456 120.400 0.131 0.000 2.345 707 D HA -0.002 4.639 4.640 0.001 0.000 0.247 707 D C -0.371 176.063 176.300 0.223 0.000 1.108 707 D CA -0.131 53.964 54.000 0.159 0.000 0.894 707 D CB 1.112 41.977 40.800 0.109 0.000 1.203 707 D HN 0.410 nan 8.370 nan 0.000 0.430 708 W N 3.571 124.915 121.300 0.074 0.000 2.210 708 W HA 0.175 4.835 4.660 0.001 0.000 0.330 708 W C -0.719 175.850 176.519 0.084 0.000 1.334 708 W CA -0.292 57.107 57.345 0.090 0.000 1.227 708 W CB 0.419 29.925 29.460 0.078 0.000 1.178 708 W HN 0.278 nan 8.180 nan 0.000 0.560 709 I N 9.500 129.818 120.570 -0.421 0.000 2.388 709 I HA 0.141 4.311 4.170 0.001 0.000 0.281 709 I C -1.585 174.294 176.117 -0.396 0.000 1.046 709 I CA -2.108 59.008 61.300 -0.305 0.000 1.187 709 I CB 0.977 38.822 38.000 -0.259 0.000 1.351 709 I HN 0.092 nan 8.210 nan 0.000 0.472 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.181 63.100 0.135 0.000 0.800 710 P CB 0.000 31.854 31.700 0.256 0.000 0.726