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 1vz2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDcPKYSCHF 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 IREGTDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTcKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG 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 0.000 176.329 176.300 0.049 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.639 32.600 0.066 0.000 1.302 2 L N 2.614 123.778 121.223 -0.098 0.000 2.288 2 L HA 0.414 4.755 4.340 0.001 0.000 0.283 2 L C -0.048 176.572 176.870 -0.417 0.000 1.072 2 L CA 0.470 55.082 54.840 -0.381 0.000 0.862 2 L CB 1.062 42.759 42.059 -0.604 0.000 1.245 2 L HN 0.205 nan 8.230 nan 0.000 0.432 3 S N 3.763 119.320 115.700 -0.239 0.000 2.481 3 S HA 0.387 4.857 4.470 0.001 0.000 0.243 3 S C -0.345 174.238 174.600 -0.027 0.000 1.152 3 S CA -0.427 57.701 58.200 -0.119 0.000 1.168 3 S CB -0.526 62.673 63.200 -0.002 0.000 0.835 3 S HN 0.416 nan 8.310 nan 0.000 0.474 4 F N -0.234 119.679 119.950 -0.060 0.000 2.675 4 F HA 0.764 5.291 4.527 0.001 0.000 0.324 4 F C -0.739 174.947 175.800 -0.190 0.000 1.106 4 F CA -1.400 56.545 58.000 -0.093 0.000 0.970 4 F CB 0.998 39.952 39.000 -0.077 0.000 1.385 4 F HN -0.026 nan 8.300 nan 0.000 0.489 5 Q N 0.991 120.884 119.800 0.155 0.000 2.372 5 Q HA 0.409 4.749 4.340 0.001 0.000 0.273 5 Q C -2.023 174.026 176.000 0.083 0.000 1.078 5 Q CA -0.801 54.993 55.803 -0.014 0.000 0.806 5 Q CB 2.137 30.869 28.738 -0.010 0.000 1.332 5 Q HN 0.734 nan 8.270 nan 0.000 0.435 6 Y N 2.117 122.526 120.300 0.182 0.000 2.480 6 Y HA 0.248 4.798 4.550 0.001 0.000 0.338 6 Y C -1.786 174.156 175.900 0.070 0.000 1.220 6 Y CA -1.481 56.684 58.100 0.108 0.000 1.430 6 Y CB -0.163 38.347 38.460 0.082 0.000 1.311 6 Y HN 0.534 nan 8.280 nan 0.000 0.575 7 P HA 0.060 nan 4.420 nan 0.000 0.274 7 P C -0.923 176.486 177.300 0.181 0.000 1.231 7 P CA -0.370 62.811 63.100 0.135 0.000 0.790 7 P CB 0.656 32.384 31.700 0.047 0.000 0.951 8 D N 0.945 121.452 120.400 0.178 0.000 2.390 8 D HA 0.170 4.811 4.640 0.001 0.000 0.249 8 D C -0.348 176.115 176.300 0.271 0.000 1.144 8 D CA 0.218 54.345 54.000 0.213 0.000 0.880 8 D CB 0.908 41.815 40.800 0.178 0.000 1.182 8 D HN 0.019 nan 8.370 nan 0.000 0.451 9 V N 3.149 123.266 119.914 0.337 0.000 2.483 9 V HA 0.055 4.175 4.120 0.001 0.000 0.297 9 V C -0.387 176.021 176.094 0.524 0.000 1.027 9 V CA -1.068 61.526 62.300 0.491 0.000 0.855 9 V CB 1.400 33.513 31.823 0.483 0.000 0.995 9 V HN 0.443 nan 8.190 nan 0.000 0.424 10 Y N 5.640 126.184 120.300 0.407 0.000 2.620 10 Y HA 0.247 4.797 4.550 0.001 0.000 0.330 10 Y C 0.717 176.842 175.900 0.374 0.000 1.186 10 Y CA 0.111 58.342 58.100 0.218 0.000 1.467 10 Y CB 0.404 38.791 38.460 -0.122 0.000 1.262 10 Y HN 0.559 nan 8.280 nan 0.000 0.550 11 R N 4.703 124.832 120.500 -0.619 0.000 2.255 11 R HA 0.136 4.476 4.340 0.001 0.000 0.326 11 R C -1.117 174.648 176.300 -0.892 0.000 0.986 11 R CA -0.832 54.874 56.100 -0.656 0.000 0.847 11 R CB 0.667 30.594 30.300 -0.621 0.000 1.111 11 R HN 0.606 nan 8.270 nan 0.000 0.452 12 D N 3.113 123.282 120.400 -0.385 0.000 2.453 12 D HA 0.005 4.646 4.640 0.001 0.000 0.223 12 D C 0.410 176.619 176.300 -0.153 0.000 1.183 12 D CA -0.058 53.865 54.000 -0.127 0.000 0.933 12 D CB 0.778 41.691 40.800 0.188 0.000 1.038 12 D HN 0.408 nan 8.370 nan 0.000 0.513 13 E N 1.560 121.652 120.200 -0.179 0.000 2.516 13 E HA -0.085 4.266 4.350 0.001 0.000 0.199 13 E C 1.556 178.119 176.600 -0.061 0.000 1.069 13 E CA 0.514 56.834 56.400 -0.132 0.000 0.876 13 E CB -0.074 29.551 29.700 -0.124 0.000 0.843 13 E HN 0.609 nan 8.360 nan 0.000 0.530 14 T N -1.953 112.584 114.554 -0.028 0.000 3.081 14 T HA 0.218 4.569 4.350 0.001 0.000 0.255 14 T C 1.243 175.942 174.700 -0.001 0.000 1.113 14 T CA 0.277 62.373 62.100 -0.006 0.000 1.082 14 T CB 0.086 68.961 68.868 0.012 0.000 0.939 14 T HN 0.058 nan 8.240 nan 0.000 0.506 15 A N 2.023 124.844 122.820 0.000 0.000 2.899 15 A HA 0.567 4.888 4.320 0.001 0.000 0.287 15 A C 0.045 177.637 177.584 0.014 0.000 1.715 15 A CA -0.373 51.673 52.037 0.014 0.000 1.393 15 A CB -1.147 17.867 19.000 0.024 0.000 1.070 15 A HN 0.690 nan 8.150 nan 0.000 0.587 16 I N 1.118 121.695 120.570 0.012 0.000 2.465 16 I HA 0.360 4.531 4.170 0.001 0.000 0.291 16 I C -0.120 176.000 176.117 0.005 0.000 1.014 16 I CA -0.383 60.928 61.300 0.019 0.000 1.093 16 I CB 2.046 40.047 38.000 0.002 0.000 1.267 16 I HN 0.646 nan 8.210 nan 0.000 0.431 17 Q N 4.402 124.221 119.800 0.031 0.000 2.337 17 Q HA 0.299 4.640 4.340 0.001 0.000 0.270 17 Q C -1.493 174.467 176.000 -0.067 0.000 1.043 17 Q CA -0.779 54.987 55.803 -0.062 0.000 0.794 17 Q CB 2.643 31.311 28.738 -0.115 0.000 1.281 17 Q HN 0.634 nan 8.270 nan 0.000 0.446 18 D N 2.373 122.662 120.400 -0.185 0.000 2.316 18 D HA 0.160 4.801 4.640 0.001 0.000 0.245 18 D C -1.600 174.460 176.300 -0.400 0.000 1.171 18 D CA 0.090 53.981 54.000 -0.182 0.000 0.856 18 D CB 0.394 41.094 40.800 -0.166 0.000 1.090 18 D HN 0.347 nan 8.370 nan 0.000 0.476 19 Y N 4.077 124.149 120.300 -0.379 0.000 2.478 19 Y HA 0.228 4.778 4.550 0.001 0.000 0.329 19 Y C 0.135 175.588 175.900 -0.745 0.000 0.967 19 Y CA -0.714 56.922 58.100 -0.774 0.000 1.255 19 Y CB 0.402 38.183 38.460 -1.131 0.000 1.103 19 Y HN 0.525 nan 8.280 nan 0.000 0.497 20 H N 1.854 120.763 119.070 -0.269 0.000 2.626 20 H HA -0.231 4.325 4.556 0.001 0.000 0.317 20 H C 1.437 176.706 175.328 -0.098 0.000 1.140 20 H CA 0.981 56.921 56.048 -0.181 0.000 1.134 20 H CB -1.441 28.209 29.762 -0.187 0.000 1.486 20 H HN 1.104 nan 8.280 nan 0.000 0.417 21 G N -0.565 108.215 108.800 -0.033 0.000 2.199 21 G HA2 -0.331 3.629 3.960 0.001 0.000 0.254 21 G HA3 -0.331 3.629 3.960 0.001 0.000 0.254 21 G C 0.012 174.942 174.900 0.050 0.000 0.982 21 G CA 0.631 45.736 45.100 0.010 0.000 0.632 21 G HN 0.877 nan 8.290 nan 0.000 0.529 22 H N 1.569 120.617 119.070 -0.036 0.000 2.552 22 H HA 0.599 5.156 4.556 0.001 0.000 0.311 22 H C 0.164 175.522 175.328 0.049 0.000 1.071 22 H CA -0.575 55.500 56.048 0.045 0.000 1.307 22 H CB 0.565 30.417 29.762 0.150 0.000 1.416 22 H HN -0.027 nan 8.280 nan 0.000 0.464 23 K N 4.523 124.894 120.400 -0.049 0.000 2.234 23 K HA 0.279 4.600 4.320 0.001 0.000 0.282 23 K C -0.909 175.772 176.600 0.136 0.000 1.039 23 K CA -0.626 55.681 56.287 0.033 0.000 0.928 23 K CB 1.839 34.322 32.500 -0.028 0.000 1.039 23 K HN 0.294 nan 8.250 nan 0.000 0.470 24 V N 3.357 123.408 119.914 0.229 0.000 2.483 24 V HA 0.184 4.304 4.120 0.001 0.000 0.297 24 V C -0.178 176.028 176.094 0.188 0.000 1.027 24 V CA -1.023 61.433 62.300 0.260 0.000 0.855 24 V CB 1.534 33.553 31.823 0.326 0.000 0.995 24 V HN 0.820 nan 8.190 nan 0.000 0.424 25 C N 3.024 122.406 119.300 0.137 0.000 2.463 25 C HA 0.547 5.007 4.460 0.001 0.000 0.380 25 C C 0.511 175.550 174.990 0.083 0.000 1.264 25 C CA -0.332 58.730 59.018 0.073 0.000 2.161 25 C CB 0.467 28.217 27.740 0.016 0.000 2.515 25 C HN 0.905 nan 8.230 nan 0.000 0.565 26 D N 2.097 122.517 120.400 0.034 0.000 2.613 26 D HA 0.266 4.906 4.640 0.001 0.000 0.312 26 D C -1.355 174.880 176.300 -0.108 0.000 1.202 26 D CA -1.333 52.675 54.000 0.013 0.000 0.825 26 D CB 0.628 41.485 40.800 0.095 0.000 1.113 26 D HN 0.298 nan 8.370 nan 0.000 0.502 27 P HA -0.105 nan 4.420 nan 0.000 0.225 27 P C 0.322 177.308 177.300 -0.523 0.000 1.148 27 P CA 0.678 63.501 63.100 -0.461 0.000 0.779 27 P CB 0.021 31.270 31.700 -0.753 0.000 0.780 28 Y N -1.008 119.186 120.300 -0.175 0.000 2.658 28 Y HA 0.494 5.045 4.550 0.001 0.000 0.276 28 Y C 2.276 177.827 175.900 -0.581 0.000 1.167 28 Y CA -0.448 57.345 58.100 -0.511 0.000 1.230 28 Y CB -0.994 37.134 38.460 -0.554 0.000 1.144 28 Y HN -0.075 nan 8.280 nan 0.000 0.529 29 A N 1.302 124.028 122.820 -0.156 0.000 2.032 29 A HA -0.201 4.120 4.320 0.001 0.000 0.221 29 A C 1.885 179.436 177.584 -0.056 0.000 1.165 29 A CA 1.757 53.754 52.037 -0.067 0.000 0.645 29 A CB -1.063 17.962 19.000 0.043 0.000 0.807 29 A HN 0.828 nan 8.150 nan 0.000 0.453 30 W N -0.573 120.731 121.300 0.008 0.000 2.525 30 W HA -0.003 4.658 4.660 0.001 0.000 0.259 30 W C 0.942 177.433 176.519 -0.047 0.000 1.253 30 W CA 0.567 57.912 57.345 -0.001 0.000 1.262 30 W CB -1.037 28.444 29.460 0.035 0.000 1.122 30 W HN 0.243 nan 8.180 nan 0.000 0.607 31 L N 1.215 122.076 121.223 -0.603 0.000 2.551 31 L HA -0.072 4.268 4.340 0.001 0.000 0.228 31 L C 2.149 178.835 176.870 -0.307 0.000 1.153 31 L CA 1.040 55.531 54.840 -0.581 0.000 0.851 31 L CB -0.518 40.971 42.059 -0.950 0.000 0.959 31 L HN -0.012 nan 8.230 nan 0.000 0.451 32 E N -0.599 119.470 120.200 -0.219 0.000 2.418 32 E HA -0.133 4.217 4.350 0.001 0.000 0.197 32 E C 0.387 176.918 176.600 -0.116 0.000 1.026 32 E CA 0.253 56.532 56.400 -0.201 0.000 0.862 32 E CB 0.097 29.724 29.700 -0.122 0.000 0.799 32 E HN 0.227 nan 8.360 nan 0.000 0.518 33 D N 0.616 120.996 120.400 -0.034 0.000 2.428 33 D HA 0.040 4.680 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 -2.565 51.439 54.000 0.008 0.000 0.869 33 D CB 1.200 42.037 40.800 0.062 0.000 1.032 33 D HN -0.111 nan 8.370 nan 0.000 0.506 34 P HA -0.011 nan 4.420 nan 0.000 0.229 34 P C 0.280 177.583 177.300 0.004 0.000 1.160 34 P CA 0.521 63.607 63.100 -0.022 0.000 0.777 34 P CB 0.671 32.342 31.700 -0.048 0.000 0.814 35 D N -0.314 120.094 120.400 0.013 0.000 2.354 35 D HA -0.002 4.638 4.640 0.001 0.000 0.209 35 D C 0.994 177.314 176.300 0.035 0.000 1.015 35 D CA 0.444 54.455 54.000 0.018 0.000 0.867 35 D CB 0.029 40.837 40.800 0.013 0.000 0.933 35 D HN 0.252 nan 8.370 nan 0.000 0.520 36 S N 0.649 116.382 115.700 0.055 0.000 2.592 36 S HA 0.098 4.568 4.470 0.001 0.000 0.271 36 S C 1.248 175.893 174.600 0.074 0.000 1.326 36 S CA -0.519 57.719 58.200 0.064 0.000 1.024 36 S CB 1.982 65.238 63.200 0.093 0.000 0.921 36 S HN -0.136 nan 8.310 nan 0.000 0.527 37 E N 1.754 121.986 120.200 0.052 0.000 2.110 37 E HA -0.160 4.191 4.350 0.001 0.000 0.193 37 E C 2.020 178.672 176.600 0.086 0.000 0.988 37 E CA 1.338 57.770 56.400 0.053 0.000 0.804 37 E CB -0.502 29.211 29.700 0.022 0.000 0.745 37 E HN 0.789 nan 8.360 nan 0.000 0.458 38 Q N 0.043 119.893 119.800 0.084 0.000 2.061 38 Q HA -0.105 4.235 4.340 0.001 0.000 0.204 38 Q C 2.250 178.481 176.000 0.385 0.000 0.984 38 Q CA 2.074 57.957 55.803 0.133 0.000 0.846 38 Q CB -0.668 28.043 28.738 -0.046 0.000 0.902 38 Q HN 0.185 nan 8.270 nan 0.000 0.421 39 T N 0.631 115.396 114.554 0.351 0.000 2.777 39 T HA -0.100 4.250 4.350 0.001 0.000 0.266 39 T C 1.518 176.373 174.700 0.258 0.000 1.040 39 T CA 1.323 63.603 62.100 0.301 0.000 1.141 39 T CB -0.102 68.856 68.868 0.151 0.000 0.868 39 T HN 0.224 nan 8.240 nan 0.000 0.444 40 K N 1.210 121.717 120.400 0.178 0.000 2.057 40 K HA 0.100 4.421 4.320 0.001 0.000 0.206 40 K C 2.636 179.321 176.600 0.142 0.000 1.050 40 K CA 1.098 57.464 56.287 0.131 0.000 0.935 40 K CB -0.223 32.328 32.500 0.085 0.000 0.715 40 K HN 0.250 nan 8.250 nan 0.000 0.439 41 A N 1.037 123.953 122.820 0.161 0.000 1.930 41 A HA -0.157 4.164 4.320 0.001 0.000 0.217 41 A C 1.980 179.675 177.584 0.185 0.000 1.175 41 A CA 1.015 53.137 52.037 0.142 0.000 0.627 41 A CB -0.647 18.427 19.000 0.122 0.000 0.815 41 A HN 0.365 nan 8.150 nan 0.000 0.443 42 F N 0.692 120.729 119.950 0.144 0.000 2.102 42 F HA -0.172 4.355 4.527 0.001 0.000 0.298 42 F C 2.192 178.024 175.800 0.052 0.000 1.105 42 F CA 2.086 60.167 58.000 0.135 0.000 1.239 42 F CB -0.297 38.812 39.000 0.182 0.000 0.991 42 F HN 0.032 nan 8.300 nan 0.000 0.474 43 V N 0.620 120.648 119.914 0.189 0.000 2.261 43 V HA -0.309 3.811 4.120 0.001 0.000 0.246 43 V C 2.282 178.338 176.094 -0.063 0.000 1.047 43 V CA 2.375 64.698 62.300 0.039 0.000 1.015 43 V CB -0.769 31.111 31.823 0.096 0.000 0.642 43 V HN 0.351 nan 8.190 nan 0.000 0.446 44 E N 0.168 120.362 120.200 -0.010 0.000 2.070 44 E HA -0.265 4.086 4.350 0.001 0.000 0.197 44 E C 2.286 178.854 176.600 -0.053 0.000 1.004 44 E CA 1.543 57.933 56.400 -0.017 0.000 0.805 44 E CB -0.395 29.314 29.700 0.015 0.000 0.744 44 E HN 0.605 nan 8.360 nan 0.000 0.451 45 A N 0.880 123.651 122.820 -0.082 0.000 1.972 45 A HA -0.220 4.101 4.320 0.001 0.000 0.219 45 A C 2.074 179.557 177.584 -0.168 0.000 1.169 45 A CA 1.185 53.161 52.037 -0.102 0.000 0.635 45 A CB -0.235 18.712 19.000 -0.089 0.000 0.810 45 A HN 0.128 nan 8.150 nan 0.000 0.446 46 Q N -0.059 119.571 119.800 -0.283 0.000 2.049 46 Q HA -0.106 4.235 4.340 0.001 0.000 0.198 46 Q C 1.744 177.654 176.000 -0.151 0.000 0.971 46 Q CA 1.323 56.956 55.803 -0.284 0.000 0.833 46 Q CB -0.570 27.909 28.738 -0.431 0.000 0.896 46 Q HN 0.631 nan 8.270 nan 0.000 0.434 47 N N 1.318 119.962 118.700 -0.094 0.000 2.149 47 N HA -0.160 4.581 4.740 0.001 0.000 0.188 47 N C 1.592 177.102 175.510 0.000 0.000 1.019 47 N CA 1.031 54.085 53.050 0.007 0.000 0.857 47 N CB -0.224 38.278 38.487 0.025 0.000 0.997 47 N HN 0.292 nan 8.380 nan 0.000 0.426 48 K N 1.209 121.590 120.400 -0.032 0.000 2.152 48 K HA -0.109 4.212 4.320 0.001 0.000 0.206 48 K C 1.917 178.488 176.600 -0.048 0.000 1.048 48 K CA 1.132 57.405 56.287 -0.024 0.000 0.933 48 K CB -0.057 32.431 32.500 -0.020 0.000 0.721 48 K HN 0.383 nan 8.250 nan 0.000 0.447 49 I N -3.026 117.476 120.570 -0.114 0.000 2.867 49 I HA 0.011 4.182 4.170 0.001 0.000 0.265 49 I C 1.562 177.520 176.117 -0.266 0.000 1.162 49 I CA 0.523 61.684 61.300 -0.233 0.000 1.471 49 I CB -0.176 37.585 38.000 -0.397 0.000 1.123 49 I HN -0.119 nan 8.210 nan 0.000 0.440 50 T N 1.462 115.916 114.554 -0.166 0.000 2.812 50 T HA -0.007 4.343 4.350 0.001 0.000 0.264 50 T C 2.095 176.814 174.700 0.031 0.000 1.042 50 T CA 1.542 63.594 62.100 -0.081 0.000 1.140 50 T CB -0.155 68.692 68.868 -0.036 0.000 0.870 50 T HN 0.181 nan 8.240 nan 0.000 0.445 51 V N 2.457 122.379 119.914 0.013 0.000 2.295 51 V HA -0.110 4.010 4.120 0.001 0.000 0.246 51 V C -0.518 175.590 176.094 0.024 0.000 1.049 51 V CA 1.748 64.046 62.300 -0.003 0.000 1.024 51 V CB -1.535 30.295 31.823 0.010 0.000 0.648 51 V HN 0.364 nan 8.190 nan 0.000 0.447 52 P HA -0.174 nan 4.420 nan 0.000 0.217 52 P C 1.704 179.059 177.300 0.092 0.000 1.150 52 P CA 1.388 64.520 63.100 0.054 0.000 0.832 52 P CB -0.135 31.603 31.700 0.064 0.000 0.787 53 F N 0.297 120.245 119.950 -0.004 0.000 2.102 53 F HA -0.163 4.364 4.527 0.001 0.000 0.298 53 F C 1.936 177.773 175.800 0.063 0.000 1.105 53 F CA 1.537 59.568 58.000 0.051 0.000 1.239 53 F CB -0.729 38.298 39.000 0.045 0.000 0.991 53 F HN -0.258 nan 8.300 nan 0.000 0.474 54 L N -0.383 120.932 121.223 0.155 0.000 2.156 54 L HA -0.123 4.217 4.340 0.001 0.000 0.208 54 L C 2.007 178.858 176.870 -0.032 0.000 1.095 54 L CA 1.355 56.236 54.840 0.068 0.000 0.770 54 L CB -0.599 41.501 42.059 0.069 0.000 0.914 54 L HN 0.146 nan 8.230 nan 0.000 0.439 55 E N -0.703 119.477 120.200 -0.033 0.000 2.447 55 E HA -0.127 4.224 4.350 0.001 0.000 0.195 55 E C 1.920 178.487 176.600 -0.054 0.000 1.028 55 E CA -0.092 56.283 56.400 -0.042 0.000 0.876 55 E CB 0.156 29.838 29.700 -0.030 0.000 0.885 55 E HN 0.406 nan 8.360 nan 0.000 0.500 56 Q N 0.500 120.256 119.800 -0.073 0.000 2.061 56 Q HA -0.144 4.197 4.340 0.001 0.000 0.204 56 Q C 0.324 176.277 176.000 -0.079 0.000 0.984 56 Q CA 0.979 56.738 55.803 -0.074 0.000 0.846 56 Q CB 0.083 28.764 28.738 -0.094 0.000 0.902 56 Q HN 0.264 nan 8.270 nan 0.000 0.421 57 C N 1.372 120.610 119.300 -0.103 0.000 2.435 57 C HA 0.200 4.661 4.460 0.001 0.000 0.375 57 C C -1.168 173.783 174.990 -0.065 0.000 1.281 57 C CA -1.396 57.572 59.018 -0.083 0.000 1.963 57 C CB 0.622 28.304 27.740 -0.096 0.000 2.490 57 C HN 0.428 nan 8.230 nan 0.000 0.557 58 P HA -0.125 nan 4.420 nan 0.000 0.219 58 P C 1.436 178.669 177.300 -0.112 0.000 1.146 58 P CA 1.038 64.090 63.100 -0.080 0.000 0.808 58 P CB -0.008 31.650 31.700 -0.071 0.000 0.779 59 I N -0.754 119.774 120.570 -0.069 0.000 2.454 59 I HA -0.256 3.915 4.170 0.001 0.000 0.254 59 I C 2.471 178.555 176.117 -0.055 0.000 1.156 59 I CA 1.141 62.404 61.300 -0.061 0.000 1.433 59 I CB -0.044 38.017 38.000 0.101 0.000 1.082 59 I HN -0.151 nan 8.210 nan 0.000 0.432 60 R N 0.466 120.948 120.500 -0.029 0.000 2.081 60 R HA -0.162 4.178 4.340 0.001 0.000 0.235 60 R C 2.210 178.490 176.300 -0.033 0.000 1.131 60 R CA 1.680 57.777 56.100 -0.005 0.000 0.960 60 R CB -0.587 29.702 30.300 -0.019 0.000 0.856 60 R HN 0.494 nan 8.270 nan 0.000 0.436 61 G N 0.814 109.556 108.800 -0.096 0.000 2.402 61 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 61 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 61 G C 1.486 176.251 174.900 -0.226 0.000 1.162 61 G CA 0.431 45.456 45.100 -0.125 0.000 0.777 61 G HN 0.215 nan 8.290 nan 0.000 0.539 62 L N -1.110 119.877 121.223 -0.392 0.000 2.046 62 L HA -0.083 4.257 4.340 0.001 0.000 0.208 62 L C 2.577 178.941 176.870 -0.844 0.000 1.077 62 L CA 1.286 55.639 54.840 -0.811 0.000 0.747 62 L CB -0.480 40.751 42.059 -1.380 0.000 0.896 62 L HN 0.265 nan 8.230 nan 0.000 0.432 63 Y N 0.910 120.847 120.300 -0.605 0.000 2.163 63 Y HA -0.290 4.261 4.550 0.001 0.000 0.288 63 Y C 2.762 178.601 175.900 -0.102 0.000 1.136 63 Y CA 1.856 59.850 58.100 -0.176 0.000 1.147 63 Y CB -0.107 38.396 38.460 0.071 0.000 0.987 63 Y HN 0.003 nan 8.280 nan 0.000 0.509 64 K N 0.416 120.893 120.400 0.128 0.000 2.032 64 K HA -0.287 4.034 4.320 0.001 0.000 0.209 64 K C 2.251 178.820 176.600 -0.051 0.000 1.048 64 K CA 1.970 58.296 56.287 0.065 0.000 0.927 64 K CB -0.361 32.156 32.500 0.028 0.000 0.712 64 K HN 0.534 nan 8.250 nan 0.000 0.441 65 E N 0.274 120.411 120.200 -0.105 0.000 2.051 65 E HA -0.276 4.075 4.350 0.001 0.000 0.192 65 E C 2.161 178.701 176.600 -0.100 0.000 0.991 65 E CA 1.210 57.547 56.400 -0.105 0.000 0.799 65 E CB -0.056 29.566 29.700 -0.130 0.000 0.748 65 E HN 0.124 nan 8.360 nan 0.000 0.449 66 R N 0.513 120.927 120.500 -0.144 0.000 2.081 66 R HA -0.137 4.204 4.340 0.001 0.000 0.235 66 R C 2.393 178.636 176.300 -0.096 0.000 1.131 66 R CA 1.941 57.980 56.100 -0.102 0.000 0.960 66 R CB -0.542 29.715 30.300 -0.071 0.000 0.856 66 R HN 0.345 nan 8.270 nan 0.000 0.436 67 M N -0.519 118.978 119.600 -0.171 0.000 2.117 67 M HA -0.138 4.342 4.480 0.001 0.000 0.262 67 M C 1.681 177.965 176.300 -0.026 0.000 1.065 67 M CA 2.180 57.406 55.300 -0.124 0.000 1.114 67 M CB -0.381 32.121 32.600 -0.163 0.000 1.361 67 M HN 0.145 nan 8.290 nan 0.000 0.408 68 T N 0.570 115.095 114.554 -0.049 0.000 2.674 68 T HA -0.162 4.189 4.350 0.001 0.000 0.265 68 T C 1.565 176.298 174.700 0.055 0.000 1.039 68 T CA 1.951 64.045 62.100 -0.009 0.000 1.150 68 T CB -0.395 68.457 68.868 -0.027 0.000 0.864 68 T HN 0.539 nan 8.240 nan 0.000 0.427 69 E N 0.749 120.967 120.200 0.031 0.000 2.049 69 E HA -0.130 4.220 4.350 0.001 0.000 0.198 69 E C 2.201 178.850 176.600 0.081 0.000 1.007 69 E CA 1.132 57.559 56.400 0.045 0.000 0.809 69 E CB -0.343 29.374 29.700 0.028 0.000 0.749 69 E HN 0.399 nan 8.360 nan 0.000 0.450 70 L N -0.470 120.815 121.223 0.104 0.000 2.156 70 L HA -0.148 4.193 4.340 0.001 0.000 0.208 70 L C 2.158 179.132 176.870 0.173 0.000 1.095 70 L CA 0.690 55.610 54.840 0.132 0.000 0.770 70 L CB -0.193 41.943 42.059 0.129 0.000 0.914 70 L HN 0.170 nan 8.230 nan 0.000 0.439 71 Y N -0.429 119.881 120.300 0.017 0.000 2.439 71 Y HA -0.145 4.405 4.550 0.001 0.000 0.292 71 Y C 1.325 177.228 175.900 0.006 0.000 1.130 71 Y CA 0.552 58.663 58.100 0.019 0.000 1.254 71 Y CB -0.197 38.272 38.460 0.015 0.000 1.000 71 Y HN 0.072 nan 8.280 nan 0.000 0.554 72 D N 0.258 120.742 120.400 0.140 0.000 2.767 72 D HA 0.061 4.702 4.640 0.001 0.000 0.231 72 D C -1.057 175.263 176.300 0.033 0.000 1.105 72 D CA 0.188 54.231 54.000 0.072 0.000 1.024 72 D CB -0.706 40.131 40.800 0.062 0.000 1.123 72 D HN 0.110 nan 8.370 nan 0.000 0.470 73 c N 2.628 121.228 118.600 0.001 0.000 2.551 73 c HA 0.515 5.085 4.570 0.001 0.000 0.332 73 c C -2.670 171.382 174.090 -0.063 0.000 1.139 73 c CA -1.990 54.330 56.329 -0.016 0.000 1.328 73 c CB 1.174 43.676 42.510 -0.013 0.000 1.903 73 c HN 0.232 nan 8.230 nan 0.000 0.459 74 P HA 0.219 nan 4.420 nan 0.000 0.264 74 P C -1.179 176.045 177.300 -0.127 0.000 1.193 74 P CA 0.576 63.587 63.100 -0.147 0.000 0.763 74 P CB 0.226 31.959 31.700 0.056 0.000 0.810 75 K N 2.963 123.179 120.400 -0.307 0.000 2.463 75 K HA 0.419 4.739 4.320 0.001 0.000 0.255 75 K C -0.974 175.546 176.600 -0.133 0.000 0.942 75 K CA -0.506 55.704 56.287 -0.129 0.000 0.814 75 K CB 1.135 33.561 32.500 -0.123 0.000 1.122 75 K HN 0.338 nan 8.250 nan 0.000 0.425 76 Y N 0.561 120.918 120.300 0.094 0.000 2.387 76 Y HA 0.259 4.810 4.550 0.001 0.000 0.330 76 Y C 1.045 177.059 175.900 0.190 0.000 1.133 76 Y CA -0.438 57.788 58.100 0.211 0.000 1.152 76 Y CB 1.739 40.286 38.460 0.145 0.000 1.215 76 Y HN 0.619 nan 8.280 nan 0.000 0.466 77 S N 0.531 116.493 115.700 0.437 0.000 2.666 77 S HA 0.378 4.848 4.470 0.001 0.000 0.279 77 S C -0.193 174.617 174.600 0.350 0.000 1.149 77 S CA -0.854 57.570 58.200 0.373 0.000 1.020 77 S CB 0.660 64.146 63.200 0.477 0.000 1.127 77 S HN 0.701 nan 8.310 nan 0.000 0.537 78 C N 1.702 121.189 119.300 0.311 0.000 2.637 78 C HA 0.357 4.818 4.460 0.001 0.000 0.418 78 C C 0.733 175.811 174.990 0.146 0.000 1.319 78 C CA 0.017 59.168 59.018 0.222 0.000 1.949 78 C CB -1.538 26.352 27.740 0.249 0.000 2.639 78 C HN 0.872 nan 8.230 nan 0.000 0.594 79 H N 2.166 120.975 119.070 -0.434 0.000 2.852 79 H HA 0.426 4.983 4.556 0.001 0.000 0.362 79 H C -0.105 174.998 175.328 -0.375 0.000 1.122 79 H CA 1.155 56.787 56.048 -0.694 0.000 1.419 79 H CB 0.284 29.008 29.762 -1.731 0.000 1.401 79 H HN 0.574 nan 8.280 nan 0.000 0.609 80 F N -1.289 118.620 119.950 -0.068 0.000 2.645 80 F HA 0.520 5.048 4.527 0.001 0.000 0.310 80 F C -0.946 174.907 175.800 0.088 0.000 1.102 80 F CA -1.398 56.633 58.000 0.053 0.000 0.952 80 F CB 1.350 40.385 39.000 0.058 0.000 1.326 80 F HN 0.274 nan 8.300 nan 0.000 0.456 81 K N 1.854 122.366 120.400 0.186 0.000 2.182 81 K HA 0.557 4.878 4.320 0.001 0.000 0.262 81 K C -1.327 175.248 176.600 -0.042 0.000 0.957 81 K CA -0.779 55.415 56.287 -0.154 0.000 0.842 81 K CB 1.101 33.392 32.500 -0.348 0.000 1.099 81 K HN 0.646 nan 8.250 nan 0.000 0.438 82 K N 2.653 122.973 120.400 -0.133 0.000 2.578 82 K HA 0.284 4.605 4.320 0.001 0.000 0.250 82 K C 0.080 176.597 176.600 -0.139 0.000 0.955 82 K CA -0.154 56.005 56.287 -0.212 0.000 0.825 82 K CB 1.561 33.612 32.500 -0.747 0.000 1.151 82 K HN 0.936 nan 8.250 nan 0.000 0.432 83 G N 4.110 112.845 108.800 -0.108 0.000 2.622 83 G HA2 -0.418 3.542 3.960 0.001 0.000 0.307 83 G HA3 -0.418 3.542 3.960 0.001 0.000 0.307 83 G C 0.341 175.169 174.900 -0.119 0.000 1.226 83 G CA 0.869 45.921 45.100 -0.080 0.000 0.997 83 G HN 0.684 nan 8.290 nan 0.000 0.551 84 K N 0.759 121.092 120.400 -0.112 0.000 2.437 84 K HA 0.443 4.763 4.320 0.001 0.000 0.205 84 K C 0.793 177.270 176.600 -0.205 0.000 1.026 84 K CA -0.043 56.163 56.287 -0.136 0.000 1.153 84 K CB 0.421 32.873 32.500 -0.079 0.000 0.863 84 K HN 0.518 nan 8.250 nan 0.000 0.502 85 R N 0.327 120.657 120.500 -0.283 0.000 2.807 85 R HA 0.370 4.710 4.340 0.001 0.000 0.276 85 R C -1.315 174.619 176.300 -0.611 0.000 0.979 85 R CA -0.878 54.966 56.100 -0.426 0.000 0.928 85 R CB 1.138 31.097 30.300 -0.568 0.000 1.191 85 R HN -0.003 nan 8.270 nan 0.000 0.471 86 Y N 0.666 120.670 120.300 -0.493 0.000 2.387 86 Y HA 0.460 5.010 4.550 0.001 0.000 0.330 86 Y C -0.335 175.007 175.900 -0.930 0.000 1.133 86 Y CA -0.254 57.577 58.100 -0.449 0.000 1.152 86 Y CB 1.090 39.487 38.460 -0.105 0.000 1.215 86 Y HN 0.343 nan 8.280 nan 0.000 0.466 87 F N 1.924 121.468 119.950 -0.677 0.000 2.588 87 F HA 0.610 5.137 4.527 0.001 0.000 0.314 87 F C -0.918 174.290 175.800 -0.987 0.000 1.069 87 F CA -1.348 56.053 58.000 -1.000 0.000 0.931 87 F CB 1.803 39.927 39.000 -1.460 0.000 1.260 87 F HN 0.414 nan 8.300 nan 0.000 0.465 88 Y N -0.925 118.997 120.300 -0.629 0.000 2.624 88 Y HA 0.717 5.268 4.550 0.001 0.000 0.334 88 Y C -2.069 173.725 175.900 -0.177 0.000 1.155 88 Y CA -2.403 55.467 58.100 -0.383 0.000 1.046 88 Y CB 0.726 38.918 38.460 -0.448 0.000 1.316 88 Y HN 0.388 nan 8.280 nan 0.000 0.457 89 F N 2.048 122.157 119.950 0.265 0.000 2.397 89 F HA 0.614 5.141 4.527 0.001 0.000 0.331 89 F C -0.543 175.465 175.800 0.347 0.000 1.090 89 F CA -0.498 57.650 58.000 0.247 0.000 1.065 89 F CB 1.435 40.568 39.000 0.221 0.000 1.184 89 F HN 0.625 nan 8.300 nan 0.000 0.499 90 Y N 2.463 122.939 120.300 0.295 0.000 2.513 90 Y HA 0.422 4.972 4.550 0.001 0.000 0.340 90 Y C -1.646 174.295 175.900 0.069 0.000 1.055 90 Y CA -1.078 57.045 58.100 0.037 0.000 1.020 90 Y CB 1.529 39.848 38.460 -0.235 0.000 1.301 90 Y HN 0.592 nan 8.280 nan 0.000 0.453 91 N N 2.291 120.507 118.700 -0.806 0.000 2.371 91 N HA 0.148 4.889 4.740 0.001 0.000 0.291 91 N C 0.279 175.228 175.510 -0.935 0.000 1.053 91 N CA 0.264 52.957 53.050 -0.596 0.000 0.870 91 N CB 2.171 40.512 38.487 -0.244 0.000 1.503 91 N HN 0.870 nan 8.380 nan 0.000 0.485 92 T N -0.021 114.180 114.554 -0.588 0.000 2.977 92 T HA 0.123 4.473 4.350 0.001 0.000 0.271 92 T C 1.182 175.770 174.700 -0.187 0.000 1.105 92 T CA 1.557 63.470 62.100 -0.312 0.000 1.116 92 T CB 0.087 68.938 68.868 -0.027 0.000 0.878 92 T HN 0.721 nan 8.240 nan 0.000 0.509 93 G N 0.864 109.567 108.800 -0.161 0.000 3.898 93 G HA2 -0.068 3.893 3.960 0.001 0.000 0.196 93 G HA3 -0.068 3.893 3.960 0.001 0.000 0.196 93 G C 0.635 175.556 174.900 0.035 0.000 1.322 93 G CA -0.046 45.014 45.100 -0.067 0.000 0.942 93 G HN 0.439 nan 8.290 nan 0.000 0.400 94 L N 1.901 123.150 121.223 0.043 0.000 2.693 94 L HA 0.355 4.696 4.340 0.001 0.000 0.235 94 L C 0.894 177.796 176.870 0.054 0.000 1.127 94 L CA -0.091 54.796 54.840 0.079 0.000 0.914 94 L CB 0.467 42.565 42.059 0.064 0.000 1.193 94 L HN 0.273 nan 8.230 nan 0.000 0.502 95 Q N 0.643 120.461 119.800 0.030 0.000 2.330 95 Q HA -0.026 4.314 4.340 0.001 0.000 0.279 95 Q C 0.572 176.600 176.000 0.047 0.000 1.024 95 Q CA -0.217 55.606 55.803 0.033 0.000 0.900 95 Q CB 0.660 29.414 28.738 0.027 0.000 1.221 95 Q HN 0.203 nan 8.270 nan 0.000 0.396 96 N N 1.223 119.949 118.700 0.045 0.000 2.104 96 N HA -0.136 4.604 4.740 0.001 0.000 0.190 96 N C -0.101 175.442 175.510 0.054 0.000 1.024 96 N CA 1.375 54.454 53.050 0.048 0.000 0.853 96 N CB 0.297 38.807 38.487 0.037 0.000 1.008 96 N HN 0.530 nan 8.380 nan 0.000 0.424 97 Q N 0.555 120.388 119.800 0.055 0.000 2.375 97 Q HA 0.246 4.586 4.340 0.001 0.000 0.271 97 Q C -0.260 175.789 176.000 0.083 0.000 1.074 97 Q CA -0.556 55.287 55.803 0.067 0.000 0.808 97 Q CB 2.624 31.405 28.738 0.070 0.000 1.327 97 Q HN 0.348 nan 8.270 nan 0.000 0.441 98 R N -0.380 120.180 120.500 0.100 0.000 2.694 98 R HA 0.487 4.828 4.340 0.001 0.000 0.268 98 R C -0.498 175.966 176.300 0.272 0.000 1.061 98 R CA -0.387 55.810 56.100 0.163 0.000 1.133 98 R CB 0.233 30.633 30.300 0.166 0.000 1.020 98 R HN 0.206 nan 8.270 nan 0.000 0.475 99 V N 3.010 123.111 119.914 0.312 0.000 2.513 99 V HA 0.218 4.339 4.120 0.001 0.000 0.299 99 V C -0.387 175.788 176.094 0.136 0.000 1.035 99 V CA -1.143 61.273 62.300 0.194 0.000 0.889 99 V CB 1.519 33.411 31.823 0.115 0.000 0.988 99 V HN 0.595 nan 8.190 nan 0.000 0.440 100 L N 5.499 126.620 121.223 -0.171 0.000 2.281 100 L HA 0.491 4.831 4.340 0.001 0.000 0.285 100 L C -0.923 175.670 176.870 -0.462 0.000 1.074 100 L CA 0.285 54.803 54.840 -0.537 0.000 0.817 100 L CB 0.104 41.806 42.059 -0.595 0.000 1.168 100 L HN 0.521 nan 8.230 nan 0.000 0.434 101 Y N 3.498 123.416 120.300 -0.637 0.000 2.496 101 Y HA 0.677 5.227 4.550 0.001 0.000 0.331 101 Y C -0.081 175.400 175.900 -0.699 0.000 1.140 101 Y CA -0.502 57.196 58.100 -0.670 0.000 1.166 101 Y CB 2.011 39.843 38.460 -1.046 0.000 1.249 101 Y HN 0.391 nan 8.280 nan 0.000 0.479 102 V N 3.217 122.878 119.914 -0.422 0.000 2.735 102 V HA 0.608 4.728 4.120 0.001 0.000 0.310 102 V C -1.531 174.323 176.094 -0.400 0.000 1.061 102 V CA -0.438 61.447 62.300 -0.691 0.000 0.913 102 V CB 1.884 33.226 31.823 -0.803 0.000 1.005 102 V HN 0.908 nan 8.190 nan 0.000 0.428 103 Q N 3.005 122.564 119.800 -0.402 0.000 2.456 103 Q HA 0.535 4.875 4.340 0.001 0.000 0.284 103 Q C -1.049 174.854 176.000 -0.161 0.000 1.061 103 Q CA -0.911 54.790 55.803 -0.170 0.000 0.799 103 Q CB 2.217 30.950 28.738 -0.009 0.000 1.445 103 Q HN 0.516 nan 8.270 nan 0.000 0.411 104 D N 0.610 120.959 120.400 -0.085 0.000 2.289 104 D HA 0.029 4.670 4.640 0.001 0.000 0.207 104 D C 0.241 176.573 176.300 0.054 0.000 0.966 104 D CA 1.212 55.178 54.000 -0.056 0.000 0.868 104 D CB 0.584 41.351 40.800 -0.054 0.000 0.943 104 D HN 0.599 nan 8.370 nan 0.000 0.514 105 S N -1.186 114.566 115.700 0.086 0.000 2.625 105 S HA 0.253 4.723 4.470 0.001 0.000 0.271 105 S C 0.374 174.952 174.600 -0.037 0.000 1.161 105 S CA -0.710 57.563 58.200 0.122 0.000 0.820 105 S CB 1.358 64.586 63.200 0.047 0.000 1.137 105 S HN -0.165 nan 8.310 nan 0.000 0.470 106 L N 1.019 122.084 121.223 -0.263 0.000 2.131 106 L HA 0.193 4.534 4.340 0.001 0.000 0.210 106 L C 1.909 178.672 176.870 -0.179 0.000 1.092 106 L CA 1.890 56.496 54.840 -0.390 0.000 0.759 106 L CB -1.084 40.673 42.059 -0.503 0.000 0.903 106 L HN 0.878 nan 8.230 nan 0.000 0.435 107 E N -1.349 118.778 120.200 -0.121 0.000 2.465 107 E HA 0.215 4.566 4.350 0.001 0.000 0.195 107 E C 0.731 177.288 176.600 -0.071 0.000 1.028 107 E CA 0.013 56.354 56.400 -0.098 0.000 0.899 107 E CB 0.247 29.899 29.700 -0.080 0.000 1.032 107 E HN 0.404 nan 8.360 nan 0.000 0.468 108 G N 0.977 109.745 108.800 -0.054 0.000 2.521 108 G HA2 0.169 4.129 3.960 0.001 0.000 0.323 108 G HA3 0.169 4.129 3.960 0.001 0.000 0.323 108 G C -0.713 174.169 174.900 -0.030 0.000 1.211 108 G CA -0.571 44.507 45.100 -0.037 0.000 0.979 108 G HN 0.090 nan 8.290 nan 0.000 0.490 109 E N -0.246 119.937 120.200 -0.028 0.000 2.414 109 E HA 0.406 4.756 4.350 0.001 0.000 0.263 109 E C 0.267 176.863 176.600 -0.007 0.000 1.000 109 E CA -0.378 56.010 56.400 -0.021 0.000 0.914 109 E CB 0.595 30.282 29.700 -0.022 0.000 0.948 109 E HN 0.518 nan 8.360 nan 0.000 0.444 110 A N 5.156 127.987 122.820 0.019 0.000 2.303 110 A HA 0.560 4.880 4.320 0.001 0.000 0.317 110 A C -0.492 177.141 177.584 0.080 0.000 1.149 110 A CA -0.732 51.339 52.037 0.056 0.000 0.822 110 A CB 0.740 19.822 19.000 0.137 0.000 1.131 110 A HN 0.777 nan 8.150 nan 0.000 0.493 111 R N 0.886 121.418 120.500 0.054 0.000 2.837 111 R HA 0.630 4.970 4.340 0.001 0.000 0.271 111 R C -1.456 174.753 176.300 -0.151 0.000 0.993 111 R CA -0.802 55.309 56.100 0.017 0.000 0.931 111 R CB 0.864 31.142 30.300 -0.036 0.000 1.206 111 R HN 0.294 nan 8.270 nan 0.000 0.474 112 V N 2.841 122.549 119.914 -0.344 0.000 2.557 112 V HA -0.075 4.045 4.120 0.001 0.000 0.301 112 V C 0.638 176.547 176.094 -0.308 0.000 1.026 112 V CA 0.611 62.539 62.300 -0.620 0.000 1.137 112 V CB -0.311 31.235 31.823 -0.462 0.000 0.917 112 V HN 0.727 nan 8.190 nan 0.000 0.484 113 F N 5.678 125.336 119.950 -0.485 0.000 2.390 113 F HA 0.445 4.972 4.527 0.001 0.000 0.281 113 F C 0.393 175.987 175.800 -0.344 0.000 1.016 113 F CA 0.404 58.195 58.000 -0.349 0.000 1.286 113 F CB 0.500 39.316 39.000 -0.306 0.000 1.134 113 F HN 0.350 nan 8.300 nan 0.000 0.597 114 L N 1.310 122.262 121.223 -0.451 0.000 2.439 114 L HA 0.390 4.731 4.340 0.001 0.000 0.270 114 L C -1.804 174.903 176.870 -0.272 0.000 0.972 114 L CA -0.361 54.199 54.840 -0.466 0.000 0.836 114 L CB 1.295 43.048 42.059 -0.510 0.000 1.255 114 L HN 0.042 nan 8.230 nan 0.000 0.404 115 D N 6.149 126.417 120.400 -0.219 0.000 2.464 115 D HA 0.462 5.102 4.640 0.001 0.000 0.243 115 D C -2.092 174.172 176.300 -0.060 0.000 1.104 115 D CA -2.023 51.903 54.000 -0.123 0.000 0.883 115 D CB 2.066 42.788 40.800 -0.129 0.000 1.050 115 D HN 0.301 nan 8.370 nan 0.000 0.524 116 P HA -0.026 nan 4.420 nan 0.000 0.223 116 P C 1.096 178.410 177.300 0.024 0.000 1.151 116 P CA 0.436 63.551 63.100 0.025 0.000 0.787 116 P CB 0.357 32.097 31.700 0.067 0.000 0.788 117 N N 0.407 119.118 118.700 0.019 0.000 2.205 117 N HA -0.137 4.604 4.740 0.001 0.000 0.186 117 N C 1.651 177.167 175.510 0.010 0.000 1.015 117 N CA 1.324 54.385 53.050 0.019 0.000 0.862 117 N CB -0.529 37.971 38.487 0.022 0.000 0.986 117 N HN 0.346 nan 8.380 nan 0.000 0.429 118 I N -1.800 118.769 120.570 -0.002 0.000 3.291 118 I HA -0.008 4.163 4.170 0.001 0.000 0.279 118 I C 1.346 177.464 176.117 0.003 0.000 1.294 118 I CA 0.700 61.997 61.300 -0.005 0.000 1.428 118 I CB -0.272 37.716 38.000 -0.020 0.000 1.070 118 I HN -0.078 nan 8.210 nan 0.000 0.478 119 L N 1.187 122.417 121.223 0.012 0.000 2.591 119 L HA 0.244 4.584 4.340 0.001 0.000 0.228 119 L C 0.606 177.487 176.870 0.018 0.000 1.133 119 L CA 0.048 54.900 54.840 0.021 0.000 0.880 119 L CB -0.442 41.640 42.059 0.038 0.000 1.033 119 L HN 0.559 nan 8.230 nan 0.000 0.450 120 S N -3.968 111.741 115.700 0.015 0.000 2.567 120 S HA 0.248 4.719 4.470 0.001 0.000 0.270 120 S C -0.232 174.375 174.600 0.011 0.000 1.152 120 S CA -0.831 57.376 58.200 0.012 0.000 0.835 120 S CB 1.534 64.740 63.200 0.011 0.000 1.115 120 S HN -0.118 nan 8.310 nan 0.000 0.459 121 D N 0.978 121.383 120.400 0.009 0.000 2.178 121 D HA 0.025 4.666 4.640 0.001 0.000 0.202 121 D C 0.911 177.218 176.300 0.011 0.000 0.974 121 D CA 1.893 55.898 54.000 0.009 0.000 0.841 121 D CB -0.065 40.740 40.800 0.008 0.000 0.953 121 D HN 0.784 nan 8.370 nan 0.000 0.478 122 D N -2.216 118.190 120.400 0.010 0.000 2.431 122 D HA 0.218 4.858 4.640 0.001 0.000 0.213 122 D C 1.305 177.613 176.300 0.014 0.000 1.130 122 D CA 0.331 54.338 54.000 0.011 0.000 0.834 122 D CB 0.012 40.817 40.800 0.008 0.000 0.985 122 D HN 0.086 nan 8.370 nan 0.000 0.504 123 G N 0.809 109.619 108.800 0.017 0.000 2.143 123 G HA2 -0.313 3.648 3.960 0.001 0.000 0.248 123 G HA3 -0.313 3.648 3.960 0.001 0.000 0.248 123 G C 0.893 175.806 174.900 0.022 0.000 0.991 123 G CA 0.796 45.910 45.100 0.023 0.000 0.689 123 G HN 0.627 nan 8.290 nan 0.000 0.522 124 T N -2.548 112.013 114.554 0.011 0.000 3.163 124 T HA 0.541 4.892 4.350 0.001 0.000 0.252 124 T C 0.508 175.211 174.700 0.005 0.000 1.056 124 T CA 0.321 62.422 62.100 0.001 0.000 0.947 124 T CB 1.005 69.857 68.868 -0.026 0.000 1.016 124 T HN 0.581 nan 8.240 nan 0.000 0.554 125 V N 1.794 121.721 119.914 0.021 0.000 2.398 125 V HA 0.804 4.925 4.120 0.001 0.000 0.286 125 V C 0.060 176.186 176.094 0.055 0.000 1.026 125 V CA -0.887 61.435 62.300 0.036 0.000 0.868 125 V CB 0.912 32.757 31.823 0.038 0.000 0.982 125 V HN 0.665 nan 8.190 nan 0.000 0.443 126 A N 4.552 127.412 122.820 0.067 0.000 2.435 126 A HA 0.831 5.151 4.320 0.001 0.000 0.304 126 A C -0.998 176.654 177.584 0.112 0.000 1.064 126 A CA -0.764 51.322 52.037 0.082 0.000 0.727 126 A CB 1.509 20.549 19.000 0.067 0.000 1.284 126 A HN 0.834 nan 8.150 nan 0.000 0.415 127 L N 1.521 122.829 121.223 0.140 0.000 2.477 127 L HA 0.411 4.751 4.340 0.001 0.000 0.272 127 L C 0.541 177.509 176.870 0.163 0.000 1.157 127 L CA 0.815 55.773 54.840 0.197 0.000 0.889 127 L CB 0.036 42.249 42.059 0.256 0.000 1.158 127 L HN 0.669 nan 8.230 nan 0.000 0.473 128 R N 4.749 125.341 120.500 0.153 0.000 2.487 128 R HA 0.570 4.910 4.340 0.001 0.000 0.288 128 R C -0.544 175.816 176.300 0.100 0.000 1.394 128 R CA 0.129 56.294 56.100 0.109 0.000 1.155 128 R CB 0.500 30.842 30.300 0.070 0.000 1.156 128 R HN 1.015 nan 8.270 nan 0.000 0.553 129 G N 3.127 111.995 108.800 0.115 0.000 2.777 129 G HA2 -0.223 3.738 3.960 0.001 0.000 0.686 129 G HA3 -0.223 3.738 3.960 0.001 0.000 0.686 129 G C -1.439 173.540 174.900 0.132 0.000 1.177 129 G CA -0.238 44.881 45.100 0.031 0.000 0.775 129 G HN 0.705 nan 8.290 nan 0.000 0.613 130 Y N -2.130 118.196 120.300 0.043 0.000 2.656 130 Y HA 0.900 5.451 4.550 0.001 0.000 0.334 130 Y C -0.215 175.697 175.900 0.020 0.000 1.179 130 Y CA -1.179 56.887 58.100 -0.057 0.000 1.050 130 Y CB 1.065 39.544 38.460 0.032 0.000 1.308 130 Y HN 2.165 nan 8.280 nan 0.000 0.456 131 A N 1.915 124.821 122.820 0.145 0.000 2.465 131 A HA 0.694 5.014 4.320 0.001 0.000 0.292 131 A C -2.062 175.765 177.584 0.406 0.000 1.041 131 A CA -0.628 51.616 52.037 0.344 0.000 0.718 131 A CB 0.434 19.664 19.000 0.383 0.000 1.266 131 A HN 0.578 nan 8.150 nan 0.000 0.403 132 F N 1.918 122.083 119.950 0.359 0.000 2.389 132 F HA 0.463 4.990 4.527 0.001 0.000 0.337 132 F C 1.603 177.238 175.800 -0.274 0.000 1.112 132 F CA 0.482 58.567 58.000 0.142 0.000 1.192 132 F CB 1.408 40.458 39.000 0.083 0.000 1.185 132 F HN 0.672 nan 8.300 nan 0.000 0.552 133 S N 0.614 115.893 115.700 -0.702 0.000 2.580 133 S HA -0.003 4.467 4.470 0.001 0.000 0.266 133 S C 1.176 175.639 174.600 -0.229 0.000 1.354 133 S CA -0.229 57.376 58.200 -0.991 0.000 1.008 133 S CB 0.841 63.439 63.200 -1.003 0.000 0.898 133 S HN 0.742 nan 8.310 nan 0.000 0.555 134 E N 1.263 121.387 120.200 -0.126 0.000 2.118 134 E HA -0.237 4.114 4.350 0.001 0.000 0.195 134 E C 1.167 177.705 176.600 -0.103 0.000 0.992 134 E CA 2.000 58.312 56.400 -0.146 0.000 0.804 134 E CB -0.514 28.942 29.700 -0.406 0.000 0.741 134 E HN 0.854 nan 8.360 nan 0.000 0.458 135 D N -0.928 119.435 120.400 -0.063 0.000 2.349 135 D HA 0.068 4.708 4.640 0.001 0.000 0.224 135 D C 1.392 177.686 176.300 -0.010 0.000 1.029 135 D CA 0.778 54.764 54.000 -0.023 0.000 0.879 135 D CB -0.299 40.509 40.800 0.014 0.000 0.906 135 D HN 0.371 nan 8.370 nan 0.000 0.528 136 G N 0.407 109.209 108.800 0.002 0.000 2.155 136 G HA2 -0.323 3.637 3.960 0.001 0.000 0.257 136 G HA3 -0.323 3.637 3.960 0.001 0.000 0.257 136 G C 0.889 175.854 174.900 0.108 0.000 0.983 136 G CA 0.436 45.573 45.100 0.062 0.000 0.676 136 G HN 0.378 nan 8.290 nan 0.000 0.528 137 E N -1.248 118.984 120.200 0.054 0.000 2.400 137 E HA 0.201 4.551 4.350 0.001 0.000 0.195 137 E C 0.255 176.714 176.600 -0.234 0.000 1.012 137 E CA 0.511 56.885 56.400 -0.044 0.000 0.875 137 E CB 0.278 29.965 29.700 -0.022 0.000 0.859 137 E HN 0.653 nan 8.360 nan 0.000 0.498 138 Y N -0.781 119.518 120.300 -0.001 0.000 2.536 138 Y HA 0.450 5.001 4.550 0.001 0.000 0.347 138 Y C -0.842 175.108 175.900 0.084 0.000 1.000 138 Y CA -1.290 56.828 58.100 0.029 0.000 1.051 138 Y CB 1.729 40.107 38.460 -0.136 0.000 1.259 138 Y HN -0.214 nan 8.280 nan 0.000 0.468 139 F N 1.891 121.999 119.950 0.263 0.000 2.585 139 F HA 0.811 5.338 4.527 0.001 0.000 0.319 139 F C -1.203 174.770 175.800 0.288 0.000 1.165 139 F CA -0.919 57.112 58.000 0.053 0.000 0.949 139 F CB 0.887 39.833 39.000 -0.089 0.000 1.218 139 F HN 0.518 nan 8.300 nan 0.000 0.453 140 A N 5.635 128.302 122.820 -0.254 0.000 2.317 140 A HA 0.782 5.102 4.320 0.001 0.000 0.327 140 A C -1.981 175.127 177.584 -0.794 0.000 1.178 140 A CA -0.452 51.174 52.037 -0.685 0.000 0.817 140 A CB 0.577 19.160 19.000 -0.695 0.000 1.189 140 A HN 0.941 nan 8.150 nan 0.000 0.489 141 Y N -0.473 119.338 120.300 -0.815 0.000 2.513 141 Y HA 0.710 5.260 4.550 0.001 0.000 0.340 141 Y C 0.078 175.808 175.900 -0.284 0.000 1.055 141 Y CA -1.154 56.639 58.100 -0.512 0.000 1.020 141 Y CB 0.773 38.955 38.460 -0.464 0.000 1.301 141 Y HN 0.815 nan 8.280 nan 0.000 0.453 142 G N 3.504 112.259 108.800 -0.076 0.000 2.356 142 G HA2 0.579 4.539 3.960 0.001 0.000 0.298 142 G HA3 0.579 4.539 3.960 0.001 0.000 0.298 142 G C -1.343 173.580 174.900 0.039 0.000 1.145 142 G CA -0.930 44.120 45.100 -0.083 0.000 0.850 142 G HN 0.739 nan 8.290 nan 0.000 0.487 143 L N 1.544 122.764 121.223 -0.006 0.000 2.341 143 L HA 0.469 4.809 4.340 0.001 0.000 0.278 143 L C 0.067 176.967 176.870 0.050 0.000 1.005 143 L CA -0.632 54.245 54.840 0.062 0.000 0.818 143 L CB 2.178 44.273 42.059 0.060 0.000 1.259 143 L HN 0.403 nan 8.230 nan 0.000 0.418 144 S N 1.623 117.363 115.700 0.068 0.000 2.501 144 S HA 0.764 5.234 4.470 0.001 0.000 0.301 144 S C -0.280 174.354 174.600 0.057 0.000 1.096 144 S CA -0.608 57.634 58.200 0.070 0.000 1.063 144 S CB 1.957 65.199 63.200 0.070 0.000 1.042 144 S HN 0.662 nan 8.310 nan 0.000 0.494 145 A N 1.519 124.373 122.820 0.056 0.000 2.304 145 A HA 0.709 5.029 4.320 0.001 0.000 0.323 145 A C 0.625 178.197 177.584 -0.021 0.000 1.195 145 A CA -0.582 51.465 52.037 0.018 0.000 0.826 145 A CB 0.159 19.168 19.000 0.015 0.000 1.184 145 A HN 1.180 nan 8.150 nan 0.000 0.496 146 S N 0.879 116.529 115.700 -0.084 0.000 3.561 146 S HA -0.164 4.306 4.470 0.001 0.000 0.318 146 S C 1.371 175.925 174.600 -0.077 0.000 1.181 146 S CA 1.777 59.856 58.200 -0.201 0.000 0.916 146 S CB -1.610 61.208 63.200 -0.637 0.000 0.966 146 S HN 2.815 nan 8.310 nan 0.000 0.550 147 G N 0.019 108.828 108.800 0.015 0.000 2.179 147 G HA2 -0.302 3.658 3.960 0.001 0.000 0.260 147 G HA3 -0.302 3.658 3.960 0.001 0.000 0.260 147 G C 0.129 175.095 174.900 0.109 0.000 0.977 147 G CA 0.776 45.917 45.100 0.069 0.000 0.641 147 G HN 1.571 nan 8.290 nan 0.000 0.533 148 S N -0.167 115.609 115.700 0.128 0.000 2.572 148 S HA 0.358 4.828 4.470 0.001 0.000 0.279 148 S C 1.395 176.032 174.600 0.061 0.000 1.341 148 S CA 0.480 58.770 58.200 0.151 0.000 1.043 148 S CB 0.629 63.984 63.200 0.259 0.000 0.887 148 S HN 0.190 nan 8.310 nan 0.000 0.516 149 D N 2.529 122.893 120.400 -0.060 0.000 2.264 149 D HA -0.020 4.621 4.640 0.001 0.000 0.208 149 D C -0.039 176.078 176.300 -0.306 0.000 0.966 149 D CA 0.497 54.347 54.000 -0.250 0.000 0.864 149 D CB -0.042 40.460 40.800 -0.497 0.000 0.933 149 D HN 0.624 nan 8.370 nan 0.000 0.499 150 W N 0.629 121.861 121.300 -0.113 0.000 2.223 150 W HA 0.193 4.853 4.660 0.001 0.000 0.334 150 W C 0.286 176.771 176.519 -0.057 0.000 1.334 150 W CA -0.356 56.937 57.345 -0.087 0.000 1.246 150 W CB 0.666 30.101 29.460 -0.042 0.000 1.184 150 W HN -0.375 nan 8.180 nan 0.000 0.563 151 V N 2.901 122.969 119.914 0.256 0.000 2.823 151 V HA 0.458 4.579 4.120 0.001 0.000 0.312 151 V C -0.204 175.934 176.094 0.073 0.000 1.072 151 V CA -0.886 61.481 62.300 0.112 0.000 0.937 151 V CB 2.454 34.305 31.823 0.047 0.000 1.013 151 V HN 0.404 nan 8.190 nan 0.000 0.430 152 T N 5.088 119.636 114.554 -0.011 0.000 2.770 152 T HA 0.605 4.955 4.350 0.001 0.000 0.283 152 T C -0.278 174.305 174.700 -0.196 0.000 0.988 152 T CA -0.111 61.936 62.100 -0.088 0.000 0.957 152 T CB 0.744 69.562 68.868 -0.083 0.000 0.930 152 T HN 0.369 nan 8.240 nan 0.000 0.443 153 I N 3.801 124.210 120.570 -0.269 0.000 2.342 153 I HA 0.358 4.528 4.170 0.001 0.000 0.291 153 I C 0.590 176.410 176.117 -0.494 0.000 1.010 153 I CA -0.409 60.621 61.300 -0.451 0.000 1.308 153 I CB 0.740 38.440 38.000 -0.500 0.000 1.400 153 I HN 0.341 nan 8.210 nan 0.000 0.488 154 K N 5.242 125.163 120.400 -0.798 0.000 2.306 154 K HA 0.711 5.031 4.320 0.001 0.000 0.236 154 K C -1.359 174.796 176.600 -0.742 0.000 1.013 154 K CA -0.741 55.164 56.287 -0.637 0.000 0.857 154 K CB 2.079 34.169 32.500 -0.683 0.000 1.214 154 K HN 0.214 nan 8.250 nan 0.000 0.449 155 F N 0.775 120.634 119.950 -0.152 0.000 2.576 155 F HA 0.522 5.049 4.527 0.001 0.000 0.313 155 F C -0.239 175.750 175.800 0.316 0.000 1.078 155 F CA -0.749 57.333 58.000 0.136 0.000 0.921 155 F CB 1.807 40.906 39.000 0.164 0.000 1.232 155 F HN 0.154 nan 8.300 nan 0.000 0.459 156 M N 1.982 121.944 119.600 0.604 0.000 2.518 156 M HA 0.356 4.836 4.480 0.001 0.000 0.300 156 M C -0.780 175.775 176.300 0.426 0.000 1.175 156 M CA -0.869 54.699 55.300 0.447 0.000 0.890 156 M CB 2.783 35.576 32.600 0.322 0.000 1.710 156 M HN 0.468 nan 8.290 nan 0.000 0.453 157 K N 1.581 122.118 120.400 0.230 0.000 2.297 157 K HA 0.295 4.615 4.320 0.001 0.000 0.286 157 K C 0.267 176.881 176.600 0.022 0.000 1.053 157 K CA -0.264 55.954 56.287 -0.115 0.000 0.940 157 K CB 1.168 33.598 32.500 -0.117 0.000 1.019 157 K HN 0.615 nan 8.250 nan 0.000 0.475 158 V N 2.497 122.409 119.914 -0.004 0.000 2.307 158 V HA -0.190 3.930 4.120 0.001 0.000 0.245 158 V C 0.762 176.945 176.094 0.148 0.000 1.045 158 V CA 1.474 63.903 62.300 0.216 0.000 1.024 158 V CB -0.509 31.383 31.823 0.114 0.000 0.651 158 V HN 0.866 nan 8.190 nan 0.000 0.449 159 D N 0.139 120.542 120.400 0.005 0.000 2.363 159 D HA 0.339 4.979 4.640 0.001 0.000 0.263 159 D C 1.146 177.457 176.300 0.019 0.000 1.258 159 D CA 1.118 55.117 54.000 -0.001 0.000 0.907 159 D CB 0.259 41.039 40.800 -0.035 0.000 1.107 159 D HN 0.424 nan 8.370 nan 0.000 0.495 160 G N 3.220 112.040 108.800 0.034 0.000 2.179 160 G HA2 -0.159 3.801 3.960 0.001 0.000 0.260 160 G HA3 -0.159 3.801 3.960 0.001 0.000 0.260 160 G C 0.769 175.687 174.900 0.030 0.000 0.977 160 G CA 0.485 45.599 45.100 0.025 0.000 0.641 160 G HN 1.735 nan 8.290 nan 0.000 0.533 161 A N -1.023 121.847 122.820 0.082 0.000 2.610 161 A HA -0.098 4.223 4.320 0.001 0.000 0.299 161 A C 0.689 178.252 177.584 -0.034 0.000 1.487 161 A CA 2.109 54.148 52.037 0.004 0.000 0.743 161 A CB -1.322 17.597 19.000 -0.134 0.000 1.070 161 A HN 1.070 nan 8.150 nan 0.000 0.439 162 K N 1.117 121.536 120.400 0.032 0.000 2.248 162 K HA 0.289 4.610 4.320 0.001 0.000 0.281 162 K C 0.116 176.772 176.600 0.093 0.000 1.054 162 K CA -0.351 55.965 56.287 0.048 0.000 0.903 162 K CB 0.971 33.508 32.500 0.060 0.000 1.077 162 K HN 0.698 nan 8.250 nan 0.000 0.474 163 E N 3.200 123.449 120.200 0.081 0.000 2.384 163 E HA 0.098 4.448 4.350 0.001 0.000 0.266 163 E C -0.115 176.571 176.600 0.143 0.000 1.012 163 E CA 0.001 56.477 56.400 0.127 0.000 0.901 163 E CB 0.620 30.376 29.700 0.093 0.000 0.967 163 E HN 0.282 nan 8.360 nan 0.000 0.435 164 L N 3.895 125.234 121.223 0.193 0.000 2.332 164 L HA 0.295 4.636 4.340 0.001 0.000 0.269 164 L C -1.565 175.374 176.870 0.115 0.000 1.016 164 L CA -1.951 52.990 54.840 0.168 0.000 0.809 164 L CB 0.796 42.994 42.059 0.232 0.000 1.280 164 L HN 0.377 nan 8.230 nan 0.000 0.447 165 P HA -0.027 nan 4.420 nan 0.000 0.225 165 P C -0.596 176.710 177.300 0.010 0.000 1.156 165 P CA 0.464 63.583 63.100 0.031 0.000 0.787 165 P CB -0.013 31.695 31.700 0.013 0.000 0.802 166 D N -0.213 120.182 120.400 -0.008 0.000 2.487 166 D HA 0.178 4.819 4.640 0.001 0.000 0.243 166 D C -0.282 176.013 176.300 -0.009 0.000 1.154 166 D CA 0.675 54.620 54.000 -0.092 0.000 0.876 166 D CB 0.305 40.874 40.800 -0.385 0.000 1.161 166 D HN -0.134 nan 8.370 nan 0.000 0.478 167 V N 3.515 123.359 119.914 -0.117 0.000 2.668 167 V HA 0.324 4.444 4.120 0.001 0.000 0.304 167 V C -0.522 175.435 176.094 -0.227 0.000 1.071 167 V CA -0.813 61.415 62.300 -0.121 0.000 0.894 167 V CB 1.681 33.448 31.823 -0.093 0.000 1.008 167 V HN 0.382 nan 8.190 nan 0.000 0.425 168 L N 4.479 125.546 121.223 -0.260 0.000 2.333 168 L HA 0.683 5.024 4.340 0.001 0.000 0.280 168 L C -0.155 176.594 176.870 -0.202 0.000 1.004 168 L CA -0.516 54.120 54.840 -0.340 0.000 0.820 168 L CB 1.913 43.594 42.059 -0.630 0.000 1.247 168 L HN 0.558 nan 8.230 nan 0.000 0.416 169 E N 2.751 122.875 120.200 -0.127 0.000 2.243 169 E HA 0.468 4.818 4.350 0.001 0.000 0.260 169 E C -0.243 176.375 176.600 0.030 0.000 0.985 169 E CA -0.846 55.516 56.400 -0.062 0.000 0.858 169 E CB 1.592 31.241 29.700 -0.086 0.000 1.210 169 E HN 0.388 nan 8.360 nan 0.000 0.411 170 R N -1.057 119.468 120.500 0.043 0.000 3.651 170 R HA -0.124 4.217 4.340 0.001 0.000 0.292 170 R C -0.617 175.990 176.300 0.513 0.000 1.161 170 R CA 0.139 56.347 56.100 0.180 0.000 0.787 170 R CB -2.220 28.153 30.300 0.122 0.000 1.249 170 R HN 0.182 nan 8.270 nan 0.000 0.476 171 V N 1.132 121.309 119.914 0.439 0.000 2.439 171 V HA 0.464 4.585 4.120 0.001 0.000 0.282 171 V C 0.433 176.734 176.094 0.344 0.000 1.039 171 V CA -0.114 62.418 62.300 0.387 0.000 0.913 171 V CB 1.822 33.771 31.823 0.210 0.000 0.983 171 V HN 0.182 nan 8.190 nan 0.000 0.460 172 K N 3.949 124.484 120.400 0.225 0.000 2.557 172 K HA 0.428 4.748 4.320 0.001 0.000 0.257 172 K C -1.087 175.495 176.600 -0.030 0.000 0.933 172 K CA -0.754 55.415 56.287 -0.196 0.000 0.820 172 K CB 1.200 33.276 32.500 -0.707 0.000 1.330 172 K HN 0.335 nan 8.250 nan 0.000 0.432 173 F N -0.087 119.923 119.950 0.101 0.000 2.943 173 F HA -0.218 4.310 4.527 0.001 0.000 0.258 173 F C 0.038 175.902 175.800 0.107 0.000 0.995 173 F CA 0.922 58.978 58.000 0.094 0.000 0.896 173 F CB -1.893 37.168 39.000 0.102 0.000 0.821 173 F HN 0.330 nan 8.300 nan 0.000 0.828 174 S N -0.277 115.552 115.700 0.215 0.000 2.472 174 S HA 0.727 5.198 4.470 0.001 0.000 0.303 174 S C 0.026 174.723 174.600 0.162 0.000 1.099 174 S CA -0.579 57.738 58.200 0.194 0.000 1.077 174 S CB 0.976 64.306 63.200 0.216 0.000 1.031 174 S HN 0.356 nan 8.310 nan 0.000 0.487 175 C N 5.332 124.728 119.300 0.161 0.000 2.466 175 C HA 0.571 5.032 4.460 0.001 0.000 0.379 175 C C 0.207 175.308 174.990 0.186 0.000 1.251 175 C CA -0.678 58.429 59.018 0.148 0.000 2.263 175 C CB -0.086 27.736 27.740 0.136 0.000 2.511 175 C HN 0.831 nan 8.230 nan 0.000 0.573 176 M N 2.921 122.621 119.600 0.166 0.000 2.134 176 M HA 0.560 5.040 4.480 0.001 0.000 0.310 176 M C -0.390 176.058 176.300 0.247 0.000 0.966 176 M CA 0.105 55.513 55.300 0.180 0.000 0.922 176 M CB 1.465 34.114 32.600 0.081 0.000 1.537 176 M HN 0.802 nan 8.290 nan 0.000 0.424 177 A N 3.360 126.373 122.820 0.322 0.000 2.408 177 A HA 0.717 5.037 4.320 0.001 0.000 0.295 177 A C -2.099 175.793 177.584 0.513 0.000 1.040 177 A CA -0.553 51.749 52.037 0.441 0.000 0.707 177 A CB 0.817 20.068 19.000 0.419 0.000 1.235 177 A HN 0.870 nan 8.150 nan 0.000 0.418 178 W N 2.047 123.583 121.300 0.393 0.000 2.315 178 W HA 0.473 5.133 4.660 0.001 0.000 0.316 178 W C 1.102 177.895 176.519 0.457 0.000 1.211 178 W CA 0.340 57.909 57.345 0.373 0.000 1.201 178 W CB 1.172 30.814 29.460 0.302 0.000 1.184 178 W HN 0.771 nan 8.180 nan 0.000 0.544 179 T N -1.278 113.674 114.554 0.664 0.000 2.932 179 T HA -0.002 4.348 4.350 0.001 0.000 0.312 179 T C 0.787 175.831 174.700 0.574 0.000 1.071 179 T CA -0.080 62.358 62.100 0.564 0.000 1.128 179 T CB 0.576 69.698 68.868 0.424 0.000 0.984 179 T HN 0.590 nan 8.240 nan 0.000 0.549 180 H N 0.629 119.865 119.070 0.277 0.000 2.546 180 H HA -0.049 4.508 4.556 0.001 0.000 0.277 180 H C 1.567 176.999 175.328 0.173 0.000 1.004 180 H CA 0.795 56.971 56.048 0.212 0.000 1.231 180 H CB 0.222 30.085 29.762 0.168 0.000 1.382 180 H HN 0.793 nan 8.280 nan 0.000 0.580 181 D N -0.064 120.509 120.400 0.288 0.000 2.371 181 D HA -0.039 4.602 4.640 0.001 0.000 0.221 181 D C 1.753 178.169 176.300 0.193 0.000 0.986 181 D CA 0.814 54.933 54.000 0.199 0.000 0.899 181 D CB -0.433 40.461 40.800 0.156 0.000 0.902 181 D HN 0.379 nan 8.370 nan 0.000 0.530 182 G N 0.918 109.873 108.800 0.259 0.000 2.155 182 G HA2 -0.448 3.512 3.960 0.001 0.000 0.257 182 G HA3 -0.448 3.512 3.960 0.001 0.000 0.257 182 G C 0.942 175.997 174.900 0.260 0.000 0.983 182 G CA 0.717 45.969 45.100 0.254 0.000 0.676 182 G HN 0.556 nan 8.290 nan 0.000 0.528 183 K N -0.028 120.516 120.400 0.240 0.000 2.103 183 K HA 0.338 4.659 4.320 0.001 0.000 0.204 183 K C 1.457 178.073 176.600 0.026 0.000 1.052 183 K CA 1.677 58.047 56.287 0.139 0.000 0.945 183 K CB -0.105 32.494 32.500 0.165 0.000 0.722 183 K HN 0.952 nan 8.250 nan 0.000 0.443 184 G N -0.355 108.454 108.800 0.015 0.000 2.490 184 G HA2 0.374 4.335 3.960 0.001 0.000 0.308 184 G HA3 0.374 4.335 3.960 0.001 0.000 0.308 184 G C -1.926 172.622 174.900 -0.587 0.000 1.286 184 G CA -0.711 44.066 45.100 -0.537 0.000 0.825 184 G HN 0.099 nan 8.290 nan 0.000 0.479 185 M N 0.113 119.154 119.600 -0.933 0.000 2.378 185 M HA 0.655 5.135 4.480 0.001 0.000 0.289 185 M C -1.590 174.556 176.300 -0.256 0.000 1.136 185 M CA -0.696 54.267 55.300 -0.562 0.000 0.917 185 M CB 1.868 33.915 32.600 -0.922 0.000 1.669 185 M HN 0.370 nan 8.290 nan 0.000 0.461 186 F N 4.252 124.338 119.950 0.227 0.000 2.418 186 F HA 0.519 5.046 4.527 0.001 0.000 0.341 186 F C -0.165 175.825 175.800 0.318 0.000 1.120 186 F CA 0.450 58.642 58.000 0.320 0.000 1.232 186 F CB 0.606 39.791 39.000 0.309 0.000 1.175 186 F HN 0.533 nan 8.300 nan 0.000 0.569 187 Y N -0.815 119.693 120.300 0.347 0.000 2.713 187 Y HA 0.521 5.072 4.550 0.001 0.000 0.335 187 Y C -2.001 174.053 175.900 0.256 0.000 1.222 187 Y CA -1.994 56.242 58.100 0.227 0.000 1.061 187 Y CB 0.708 39.242 38.460 0.123 0.000 1.314 187 Y HN 0.533 nan 8.280 nan 0.000 0.453 188 N N 0.812 119.622 118.700 0.183 0.000 2.417 188 N HA 0.850 5.590 4.740 0.001 0.000 0.300 188 N C -1.362 174.286 175.510 0.230 0.000 1.102 188 N CA -0.491 52.611 53.050 0.086 0.000 0.886 188 N CB 2.116 40.658 38.487 0.091 0.000 1.203 188 N HN 0.958 nan 8.380 nan 0.000 0.496 189 A N 1.018 123.950 122.820 0.186 0.000 2.572 189 A HA 0.595 4.916 4.320 0.001 0.000 0.295 189 A C -1.884 175.810 177.584 0.183 0.000 1.072 189 A CA -0.543 51.681 52.037 0.312 0.000 0.691 189 A CB 0.695 19.935 19.000 0.400 0.000 1.291 189 A HN 0.607 nan 8.150 nan 0.000 0.404 190 Y N 0.831 121.351 120.300 0.367 0.000 2.352 190 Y HA 0.509 5.059 4.550 0.001 0.000 0.326 190 Y C -1.948 174.120 175.900 0.280 0.000 1.166 190 Y CA -1.747 56.560 58.100 0.345 0.000 1.182 190 Y CB 1.074 39.793 38.460 0.432 0.000 1.216 190 Y HN 0.463 nan 8.280 nan 0.000 0.474 191 P HA 0.005 nan 4.420 nan 0.000 0.270 191 P C -0.844 176.578 177.300 0.203 0.000 1.223 191 P CA -0.442 62.805 63.100 0.245 0.000 0.785 191 P CB 0.513 32.329 31.700 0.192 0.000 0.923 192 Q N 1.311 121.179 119.800 0.113 0.000 2.310 192 Q HA -0.058 4.283 4.340 0.001 0.000 0.315 192 Q C 0.255 176.299 176.000 0.073 0.000 1.081 192 Q CA 1.050 56.889 55.803 0.061 0.000 0.981 192 Q CB 0.077 28.831 28.738 0.027 0.000 1.184 192 Q HN 0.518 nan 8.270 nan 0.000 0.389 193 Q N 0.838 120.667 119.800 0.048 0.000 2.423 193 Q HA 0.480 4.821 4.340 0.001 0.000 0.278 193 Q C -1.057 174.956 176.000 0.022 0.000 1.097 193 Q CA -1.024 54.814 55.803 0.057 0.000 0.809 193 Q CB 1.580 30.378 28.738 0.099 0.000 1.391 193 Q HN 0.270 nan 8.270 nan 0.000 0.428 194 D N 0.698 121.115 120.400 0.028 0.000 2.382 194 D HA 0.400 5.040 4.640 0.001 0.000 0.240 194 D C 0.816 177.124 176.300 0.012 0.000 1.146 194 D CA 1.840 55.849 54.000 0.015 0.000 0.897 194 D CB 0.866 41.678 40.800 0.019 0.000 1.197 194 D HN 0.913 nan 8.370 nan 0.000 0.432 195 G N 1.400 110.200 108.800 -0.000 0.000 2.698 195 G HA2 -0.254 3.707 3.960 0.001 0.000 0.233 195 G HA3 -0.254 3.707 3.960 0.001 0.000 0.233 195 G C -0.334 174.552 174.900 -0.022 0.000 1.352 195 G CA -0.501 44.597 45.100 -0.003 0.000 0.879 195 G HN 0.537 nan 8.290 nan 0.000 0.567 196 K N -0.262 120.126 120.400 -0.019 0.000 2.202 196 K HA 0.514 4.835 4.320 0.001 0.000 0.264 196 K C 0.023 176.582 176.600 -0.068 0.000 1.010 196 K CA 0.348 56.607 56.287 -0.046 0.000 0.940 196 K CB 0.823 33.308 32.500 -0.025 0.000 0.983 196 K HN 0.366 nan 8.250 nan 0.000 0.475 197 S N 2.117 117.701 115.700 -0.193 0.000 2.204 197 S HA 0.050 4.520 4.470 0.001 0.000 0.178 197 S C -0.681 173.632 174.600 -0.479 0.000 1.493 197 S CA -0.645 57.289 58.200 -0.444 0.000 1.266 197 S CB 0.022 62.674 63.200 -0.915 0.000 1.232 197 S HN 0.729 nan 8.310 nan 0.000 0.406 198 D N -0.326 120.042 120.400 -0.054 0.000 2.527 198 D HA 0.268 4.909 4.640 0.001 0.000 0.224 198 D C 1.186 177.672 176.300 0.311 0.000 1.217 198 D CA 0.383 54.442 54.000 0.098 0.000 0.819 198 D CB -0.027 40.819 40.800 0.076 0.000 1.061 198 D HN 0.498 nan 8.370 nan 0.000 0.515 199 G N 0.426 109.441 108.800 0.357 0.000 2.213 199 G HA2 -0.330 3.631 3.960 0.001 0.000 0.226 199 G HA3 -0.330 3.631 3.960 0.001 0.000 0.226 199 G C 1.183 176.109 174.900 0.043 0.000 0.992 199 G CA 0.708 45.973 45.100 0.274 0.000 0.632 199 G HN 0.604 nan 8.290 nan 0.000 0.511 200 T N -0.667 113.833 114.554 -0.090 0.000 3.057 200 T HA 0.337 4.687 4.350 0.001 0.000 0.254 200 T C 1.003 175.674 174.700 -0.048 0.000 1.094 200 T CA 1.093 63.085 62.100 -0.179 0.000 1.088 200 T CB 0.177 68.884 68.868 -0.267 0.000 0.934 200 T HN 0.805 nan 8.240 nan 0.000 0.497 201 E N 2.469 122.686 120.200 0.028 0.000 2.349 201 E HA 0.134 4.485 4.350 0.001 0.000 0.262 201 E C 0.438 177.081 176.600 0.072 0.000 1.088 201 E CA 0.063 56.496 56.400 0.055 0.000 0.899 201 E CB 1.206 30.960 29.700 0.090 0.000 1.044 201 E HN 0.311 nan 8.360 nan 0.000 0.420 202 T N -1.845 112.753 114.554 0.075 0.000 3.054 202 T HA 0.135 4.485 4.350 0.001 0.000 0.255 202 T C 0.283 175.096 174.700 0.189 0.000 1.035 202 T CA -0.394 61.773 62.100 0.112 0.000 0.941 202 T CB -0.116 68.782 68.868 0.050 0.000 1.026 202 T HN 0.285 nan 8.240 nan 0.000 0.533 203 S N 2.967 118.754 115.700 0.144 0.000 2.593 203 S HA 0.169 4.639 4.470 0.001 0.000 0.300 203 S C 0.571 175.238 174.600 0.111 0.000 1.267 203 S CA -0.084 58.192 58.200 0.127 0.000 1.065 203 S CB 0.564 63.839 63.200 0.124 0.000 0.807 203 S HN 0.597 nan 8.310 nan 0.000 0.499 204 T N 2.922 117.527 114.554 0.085 0.000 2.926 204 T HA 0.095 4.445 4.350 0.001 0.000 0.307 204 T C -0.086 174.665 174.700 0.084 0.000 1.059 204 T CA -0.369 61.777 62.100 0.077 0.000 1.122 204 T CB -0.242 68.654 68.868 0.048 0.000 0.972 204 T HN 0.632 nan 8.240 nan 0.000 0.545 205 N N 4.280 123.029 118.700 0.082 0.000 2.457 205 N HA 0.546 5.286 4.740 0.001 0.000 0.250 205 N C -0.911 174.776 175.510 0.295 0.000 0.982 205 N CA -0.478 52.564 53.050 -0.013 0.000 0.941 205 N CB 1.020 39.263 38.487 -0.408 0.000 1.120 205 N HN 0.436 nan 8.380 nan 0.000 0.505 206 L N 0.974 122.401 121.223 0.341 0.000 2.327 206 L HA 0.494 4.834 4.340 0.001 0.000 0.258 206 L C 0.006 177.125 176.870 0.415 0.000 1.024 206 L CA -1.001 53.994 54.840 0.258 0.000 0.825 206 L CB 1.427 43.496 42.059 0.016 0.000 1.386 206 L HN 0.647 nan 8.230 nan 0.000 0.417 207 H N 0.015 119.223 119.070 0.230 0.000 2.826 207 H HA -0.165 4.392 4.556 0.001 0.000 0.306 207 H C 0.105 175.480 175.328 0.078 0.000 1.235 207 H CA 0.426 56.567 56.048 0.154 0.000 1.150 207 H CB -0.815 29.027 29.762 0.132 0.000 1.409 207 H HN 0.585 nan 8.280 nan 0.000 0.420 208 Q N 1.127 120.937 119.800 0.018 0.000 2.300 208 Q HA 0.184 4.524 4.340 0.001 0.000 0.280 208 Q C -0.024 175.910 176.000 -0.110 0.000 1.033 208 Q CA 0.538 56.120 55.803 -0.368 0.000 0.903 208 Q CB 0.692 29.141 28.738 -0.482 0.000 1.195 208 Q HN 0.349 nan 8.270 nan 0.000 0.386 209 K N 2.617 122.919 120.400 -0.164 0.000 2.295 209 K HA 0.472 4.792 4.320 0.001 0.000 0.239 209 K C -1.231 175.183 176.600 -0.310 0.000 0.991 209 K CA -0.957 55.172 56.287 -0.264 0.000 0.845 209 K CB 1.342 33.617 32.500 -0.375 0.000 1.197 209 K HN 0.408 nan 8.250 nan 0.000 0.441 210 L N 2.096 123.087 121.223 -0.387 0.000 2.272 210 L HA 0.423 4.763 4.340 0.001 0.000 0.289 210 L C -1.655 174.993 176.870 -0.370 0.000 1.032 210 L CA -0.008 54.692 54.840 -0.234 0.000 0.810 210 L CB 0.298 42.328 42.059 -0.049 0.000 1.205 210 L HN 0.463 nan 8.230 nan 0.000 0.422 211 Y N 3.867 124.049 120.300 -0.196 0.000 2.587 211 Y HA 0.502 5.052 4.550 0.001 0.000 0.337 211 Y C -1.178 174.737 175.900 0.026 0.000 1.065 211 Y CA -0.350 57.641 58.100 -0.180 0.000 1.126 211 Y CB 1.707 39.879 38.460 -0.479 0.000 1.279 211 Y HN 0.526 nan 8.280 nan 0.000 0.489 212 Y N 1.139 121.527 120.300 0.146 0.000 2.338 212 Y HA 0.397 4.947 4.550 0.001 0.000 0.333 212 Y C -1.224 174.748 175.900 0.119 0.000 0.968 212 Y CA -1.129 56.944 58.100 -0.046 0.000 1.123 212 Y CB 0.706 38.982 38.460 -0.307 0.000 1.165 212 Y HN 0.708 nan 8.280 nan 0.000 0.452 213 H N 4.927 123.778 119.070 -0.365 0.000 2.519 213 H HA 0.554 5.110 4.556 0.001 0.000 0.316 213 H C -1.355 173.560 175.328 -0.687 0.000 1.065 213 H CA -0.553 55.286 56.048 -0.348 0.000 1.264 213 H CB 0.906 30.527 29.762 -0.235 0.000 1.413 213 H HN 0.520 nan 8.280 nan 0.000 0.465 214 V N 7.115 126.488 119.914 -0.902 0.000 2.455 214 V HA 0.001 4.121 4.120 0.001 0.000 0.273 214 V C 0.339 175.863 176.094 -0.949 0.000 1.045 214 V CA -0.599 61.265 62.300 -0.726 0.000 0.976 214 V CB 0.420 32.037 31.823 -0.343 0.000 0.993 214 V HN 0.667 nan 8.190 nan 0.000 0.475 215 L N 5.411 126.233 121.223 -0.667 0.000 2.525 215 L HA 0.489 4.830 4.340 0.001 0.000 0.278 215 L C 1.204 177.851 176.870 -0.370 0.000 1.218 215 L CA 1.901 56.416 54.840 -0.541 0.000 0.878 215 L CB 0.358 42.227 42.059 -0.317 0.000 1.127 215 L HN 0.974 nan 8.230 nan 0.000 0.492 216 G N 1.635 110.264 108.800 -0.285 0.000 2.157 216 G HA2 -0.236 3.725 3.960 0.001 0.000 0.239 216 G HA3 -0.236 3.725 3.960 0.001 0.000 0.239 216 G C 0.242 175.056 174.900 -0.143 0.000 0.982 216 G CA 0.378 45.380 45.100 -0.163 0.000 0.650 216 G HN 1.073 nan 8.290 nan 0.000 0.527 217 T N -2.499 111.937 114.554 -0.197 0.000 2.910 217 T HA 0.644 4.995 4.350 0.001 0.000 0.287 217 T C -0.571 174.141 174.700 0.022 0.000 1.050 217 T CA -0.072 61.960 62.100 -0.114 0.000 1.011 217 T CB 2.745 71.508 68.868 -0.174 0.000 1.195 217 T HN 0.128 nan 8.240 nan 0.000 0.540 218 D N 0.020 120.430 120.400 0.017 0.000 2.304 218 D HA 0.057 4.697 4.640 0.001 0.000 0.247 218 D C 1.026 177.365 176.300 0.066 0.000 1.089 218 D CA -0.192 53.825 54.000 0.028 0.000 0.910 218 D CB 1.675 42.472 40.800 -0.005 0.000 1.199 218 D HN 0.763 nan 8.370 nan 0.000 0.426 219 Q N 1.785 121.590 119.800 0.007 0.000 2.197 219 Q HA -0.221 4.120 4.340 0.001 0.000 0.207 219 Q C 1.762 177.757 176.000 -0.009 0.000 0.984 219 Q CA 2.049 57.840 55.803 -0.021 0.000 0.869 219 Q CB 0.015 28.677 28.738 -0.126 0.000 0.906 219 Q HN 0.571 nan 8.270 nan 0.000 0.426 220 S N -0.403 115.285 115.700 -0.019 0.000 2.469 220 S HA -0.161 4.310 4.470 0.001 0.000 0.238 220 S C 1.208 175.811 174.600 0.006 0.000 0.998 220 S CA 1.306 59.495 58.200 -0.018 0.000 0.957 220 S CB -0.153 63.037 63.200 -0.016 0.000 0.764 220 S HN 0.487 nan 8.310 nan 0.000 0.514 221 E N 1.014 121.226 120.200 0.020 0.000 2.478 221 E HA 0.090 4.441 4.350 0.001 0.000 0.194 221 E C -0.548 176.086 176.600 0.056 0.000 1.045 221 E CA -0.127 56.289 56.400 0.026 0.000 0.868 221 E CB -0.026 29.674 29.700 0.001 0.000 0.885 221 E HN 0.521 nan 8.360 nan 0.000 0.505 222 D N 1.123 121.575 120.400 0.086 0.000 2.472 222 D HA -0.020 4.620 4.640 0.001 0.000 0.237 222 D C 0.065 176.498 176.300 0.223 0.000 1.141 222 D CA 0.420 54.515 54.000 0.159 0.000 0.875 222 D CB 0.662 41.572 40.800 0.183 0.000 1.192 222 D HN -0.055 nan 8.370 nan 0.000 0.450 223 I N 2.368 123.098 120.570 0.267 0.000 2.395 223 I HA 0.082 4.252 4.170 0.001 0.000 0.289 223 I C 0.394 176.698 176.117 0.311 0.000 1.023 223 I CA -0.775 60.673 61.300 0.247 0.000 1.350 223 I CB 0.465 38.584 38.000 0.199 0.000 1.409 223 I HN 0.220 nan 8.210 nan 0.000 0.507 224 L N 6.930 128.281 121.223 0.213 0.000 2.313 224 L HA 0.217 4.558 4.340 0.001 0.000 0.282 224 L C 0.428 177.307 176.870 0.015 0.000 1.092 224 L CA 0.545 55.380 54.840 -0.010 0.000 0.831 224 L CB 0.875 42.909 42.059 -0.042 0.000 1.159 224 L HN 0.756 nan 8.230 nan 0.000 0.442 225 C N 3.794 123.108 119.300 0.024 0.000 2.820 225 C HA 0.762 5.222 4.460 0.001 0.000 0.323 225 C C 0.767 175.945 174.990 0.313 0.000 1.279 225 C CA 0.127 59.266 59.018 0.202 0.000 1.790 225 C CB -0.648 27.326 27.740 0.390 0.000 2.328 225 C HN 0.913 nan 8.230 nan 0.000 0.579 226 A N 1.087 123.941 122.820 0.058 0.000 2.577 226 A HA 0.671 4.992 4.320 0.001 0.000 0.297 226 A C -1.245 176.028 177.584 -0.518 0.000 1.060 226 A CA -0.389 51.565 52.037 -0.139 0.000 0.697 226 A CB 0.977 19.843 19.000 -0.223 0.000 1.281 226 A HN 0.483 nan 8.150 nan 0.000 0.402 227 E N 0.140 119.913 120.200 -0.712 0.000 2.412 227 E HA 0.729 5.079 4.350 0.001 0.000 0.279 227 E C -1.797 174.282 176.600 -0.869 0.000 0.984 227 E CA -0.876 55.070 56.400 -0.757 0.000 0.788 227 E CB 1.435 30.948 29.700 -0.312 0.000 1.277 227 E HN 0.427 nan 8.360 nan 0.000 0.455 228 F N 0.729 120.707 119.950 0.046 0.000 2.523 228 F HA 0.339 4.867 4.527 0.001 0.000 0.322 228 F C -1.922 173.856 175.800 -0.037 0.000 1.361 228 F CA -2.059 55.939 58.000 -0.004 0.000 1.151 228 F CB 1.206 40.214 39.000 0.013 0.000 1.391 228 F HN 0.338 nan 8.300 nan 0.000 0.566 229 P HA -0.159 nan 4.420 nan 0.000 0.219 229 P C 0.665 178.034 177.300 0.115 0.000 1.146 229 P CA 1.481 64.677 63.100 0.160 0.000 0.808 229 P CB 0.456 32.189 31.700 0.054 0.000 0.779 230 D N -0.434 119.958 120.400 -0.013 0.000 2.349 230 D HA 0.008 4.648 4.640 0.001 0.000 0.215 230 D C 0.375 176.532 176.300 -0.238 0.000 1.016 230 D CA 0.738 54.682 54.000 -0.093 0.000 0.870 230 D CB 0.288 41.027 40.800 -0.102 0.000 0.917 230 D HN 0.258 nan 8.370 nan 0.000 0.524 231 E N 0.564 120.551 120.200 -0.355 0.000 3.108 231 E HA 0.170 4.520 4.350 0.001 0.000 0.228 231 E C -2.016 174.343 176.600 -0.402 0.000 1.176 231 E CA -1.536 54.484 56.400 -0.634 0.000 0.881 231 E CB 1.820 30.495 29.700 -1.708 0.000 1.354 231 E HN 0.002 nan 8.360 nan 0.000 0.400 232 P HA -0.106 nan 4.420 nan 0.000 0.221 232 P C 1.003 178.133 177.300 -0.284 0.000 1.145 232 P CA 1.084 63.858 63.100 -0.544 0.000 0.795 232 P CB 0.375 31.679 31.700 -0.660 0.000 0.775 233 K N -2.729 117.560 120.400 -0.185 0.000 2.361 233 K HA -0.011 4.309 4.320 0.001 0.000 0.196 233 K C 0.276 176.996 176.600 0.200 0.000 1.039 233 K CA 0.017 56.259 56.287 -0.075 0.000 1.001 233 K CB -0.044 32.384 32.500 -0.119 0.000 0.795 233 K HN 0.138 nan 8.250 nan 0.000 0.495 234 W N 1.768 123.011 121.300 -0.096 0.000 2.193 234 W HA 0.120 4.780 4.660 0.001 0.000 0.338 234 W C 0.172 176.632 176.519 -0.098 0.000 1.310 234 W CA -0.052 57.182 57.345 -0.186 0.000 1.243 234 W CB -0.074 29.112 29.460 -0.457 0.000 1.165 234 W HN -0.069 nan 8.180 nan 0.000 0.566 235 M N 2.986 122.605 119.600 0.032 0.000 2.204 235 M HA 0.385 4.865 4.480 0.001 0.000 0.293 235 M C 0.368 176.643 176.300 -0.042 0.000 0.994 235 M CA -0.399 54.938 55.300 0.062 0.000 0.925 235 M CB 2.016 34.659 32.600 0.072 0.000 1.577 235 M HN 0.492 nan 8.290 nan 0.000 0.439 236 G N 1.726 110.575 108.800 0.082 0.000 2.377 236 G HA2 0.601 4.562 3.960 0.001 0.000 0.316 236 G HA3 0.601 4.562 3.960 0.001 0.000 0.316 236 G C -0.178 174.716 174.900 -0.009 0.000 1.115 236 G CA -0.521 44.571 45.100 -0.014 0.000 0.952 236 G HN 0.843 nan 8.290 nan 0.000 0.441 237 G N 0.825 109.602 108.800 -0.038 0.000 2.325 237 G HA2 0.646 4.606 3.960 0.001 0.000 0.298 237 G HA3 0.646 4.606 3.960 0.001 0.000 0.298 237 G C 0.132 175.034 174.900 0.003 0.000 1.134 237 G CA 0.108 45.218 45.100 0.016 0.000 0.876 237 G HN 0.946 nan 8.290 nan 0.000 0.452 238 A N 2.357 125.196 122.820 0.031 0.000 2.295 238 A HA 0.848 5.168 4.320 0.001 0.000 0.318 238 A C -0.035 177.592 177.584 0.072 0.000 1.134 238 A CA -0.643 51.393 52.037 -0.002 0.000 0.827 238 A CB 1.275 20.192 19.000 -0.139 0.000 1.136 238 A HN 0.698 nan 8.150 nan 0.000 0.493 239 E N 1.608 121.848 120.200 0.066 0.000 2.347 239 E HA 0.362 4.712 4.350 0.001 0.000 0.285 239 E C -1.606 175.054 176.600 0.100 0.000 0.925 239 E CA -0.708 55.768 56.400 0.125 0.000 0.779 239 E CB 1.018 30.799 29.700 0.135 0.000 1.233 239 E HN 0.530 nan 8.360 nan 0.000 0.414 240 L N 3.254 124.585 121.223 0.181 0.000 2.426 240 L HA 0.202 4.543 4.340 0.001 0.000 0.271 240 L C 0.800 177.707 176.870 0.061 0.000 1.169 240 L CA 0.359 55.290 54.840 0.151 0.000 0.836 240 L CB 0.841 43.040 42.059 0.233 0.000 1.112 240 L HN 0.738 nan 8.230 nan 0.000 0.465 241 S N 1.550 117.252 115.700 0.002 0.000 2.576 241 S HA 0.023 4.493 4.470 0.001 0.000 0.272 241 S C 0.831 175.514 174.600 0.138 0.000 1.352 241 S CA -0.602 57.581 58.200 -0.029 0.000 1.021 241 S CB 0.747 64.055 63.200 0.179 0.000 0.887 241 S HN 0.556 nan 8.310 nan 0.000 0.542 242 D N 1.268 121.839 120.400 0.285 0.000 2.182 242 D HA -0.105 4.535 4.640 0.001 0.000 0.201 242 D C 1.244 177.705 176.300 0.269 0.000 0.986 242 D CA 1.667 55.842 54.000 0.291 0.000 0.847 242 D CB -0.414 40.512 40.800 0.210 0.000 0.942 242 D HN 0.892 nan 8.370 nan 0.000 0.467 243 D N -1.264 119.219 120.400 0.137 0.000 2.340 243 D HA 0.121 4.761 4.640 0.001 0.000 0.220 243 D C 1.545 177.838 176.300 -0.012 0.000 1.039 243 D CA 0.719 54.783 54.000 0.106 0.000 0.866 243 D CB -0.171 40.667 40.800 0.063 0.000 0.913 243 D HN 0.178 nan 8.370 nan 0.000 0.523 244 G N 1.137 109.732 108.800 -0.341 0.000 2.184 244 G HA2 -0.443 3.517 3.960 0.001 0.000 0.264 244 G HA3 -0.443 3.517 3.960 0.001 0.000 0.264 244 G C 1.142 175.896 174.900 -0.244 0.000 0.975 244 G CA 0.488 45.136 45.100 -0.753 0.000 0.642 244 G HN 0.545 nan 8.290 nan 0.000 0.536 245 R N -0.861 119.557 120.500 -0.135 0.000 2.161 245 R HA 0.314 4.654 4.340 0.001 0.000 0.213 245 R C 0.131 176.232 176.300 -0.331 0.000 1.055 245 R CA 0.672 56.624 56.100 -0.248 0.000 0.996 245 R CB 0.053 30.136 30.300 -0.361 0.000 0.901 245 R HN 0.417 nan 8.270 nan 0.000 0.456 246 Y N -0.421 119.929 120.300 0.084 0.000 2.425 246 Y HA 0.365 4.916 4.550 0.001 0.000 0.344 246 Y C -0.589 175.372 175.900 0.102 0.000 0.969 246 Y CA -1.285 56.901 58.100 0.144 0.000 1.052 246 Y CB 2.169 40.779 38.460 0.250 0.000 1.215 246 Y HN -0.335 nan 8.280 nan 0.000 0.451 247 V N 4.942 125.001 119.914 0.242 0.000 2.461 247 V HA 0.278 4.398 4.120 0.001 0.000 0.275 247 V C -0.038 176.240 176.094 0.306 0.000 1.047 247 V CA -0.697 61.694 62.300 0.151 0.000 0.955 247 V CB 0.493 32.294 31.823 -0.036 0.000 0.988 247 V HN 0.566 nan 8.190 nan 0.000 0.471 248 L N 5.548 126.900 121.223 0.215 0.000 2.309 248 L HA 0.550 4.890 4.340 0.001 0.000 0.282 248 L C -0.556 176.410 176.870 0.159 0.000 1.036 248 L CA -0.632 54.353 54.840 0.242 0.000 0.806 248 L CB 1.591 43.747 42.059 0.161 0.000 1.220 248 L HN 0.452 nan 8.230 nan 0.000 0.429 249 L N 2.611 123.895 121.223 0.102 0.000 2.316 249 L HA 0.381 4.722 4.340 0.001 0.000 0.280 249 L C -0.266 176.473 176.870 -0.219 0.000 1.006 249 L CA 0.191 54.936 54.840 -0.159 0.000 0.836 249 L CB 1.584 43.302 42.059 -0.567 0.000 1.221 249 L HN 0.487 nan 8.230 nan 0.000 0.418 250 S N 6.454 122.061 115.700 -0.154 0.000 2.410 250 S HA 0.557 5.027 4.470 0.001 0.000 0.304 250 S C -0.041 174.396 174.600 -0.272 0.000 1.095 250 S CA -0.325 57.776 58.200 -0.166 0.000 1.089 250 S CB 0.140 63.324 63.200 -0.027 0.000 0.968 250 S HN 0.456 nan 8.310 nan 0.000 0.480 251 I N 4.011 124.310 120.570 -0.451 0.000 2.331 251 I HA 0.395 4.566 4.170 0.001 0.000 0.292 251 I C 0.514 176.440 176.117 -0.318 0.000 0.998 251 I CA -0.377 60.586 61.300 -0.562 0.000 1.267 251 I CB 0.893 38.245 38.000 -1.081 0.000 1.386 251 I HN 0.339 nan 8.210 nan 0.000 0.476 252 R N 4.627 124.963 120.500 -0.274 0.000 2.778 252 R HA 0.556 4.897 4.340 0.001 0.000 0.277 252 R C -0.773 175.301 176.300 -0.376 0.000 0.977 252 R CA -0.851 55.098 56.100 -0.251 0.000 0.950 252 R CB 2.370 32.577 30.300 -0.154 0.000 1.165 252 R HN 0.550 nan 8.270 nan 0.000 0.474 253 E N 1.279 121.117 120.200 -0.604 0.000 2.316 253 E HA 0.392 4.742 4.350 0.001 0.000 0.254 253 E C -0.659 175.747 176.600 -0.322 0.000 0.902 253 E CA -0.255 55.891 56.400 -0.423 0.000 0.801 253 E CB 1.211 30.572 29.700 -0.564 0.000 1.270 253 E HN 0.829 nan 8.360 nan 0.000 0.414 254 G N 1.980 110.716 108.800 -0.107 0.000 2.685 254 G HA2 -0.263 3.697 3.960 0.001 0.000 0.387 254 G HA3 -0.263 3.697 3.960 0.001 0.000 0.387 254 G C 0.438 175.327 174.900 -0.019 0.000 1.324 254 G CA -0.112 44.972 45.100 -0.028 0.000 0.878 254 G HN 0.637 nan 8.290 nan 0.000 0.527 255 T N -2.054 112.550 114.554 0.084 0.000 3.054 255 T HA 0.346 4.696 4.350 0.001 0.000 0.255 255 T C 0.451 175.211 174.700 0.099 0.000 1.035 255 T CA 0.763 62.940 62.100 0.129 0.000 0.941 255 T CB 0.260 69.335 68.868 0.345 0.000 1.026 255 T HN 0.556 nan 8.240 nan 0.000 0.533 256 D N 4.009 124.445 120.400 0.060 0.000 2.449 256 D HA 0.131 4.771 4.640 0.001 0.000 0.236 256 D C -2.089 174.237 176.300 0.044 0.000 1.149 256 D CA -1.425 52.622 54.000 0.079 0.000 0.878 256 D CB 1.001 41.827 40.800 0.044 0.000 1.198 256 D HN 0.164 nan 8.370 nan 0.000 0.446 257 P HA 0.056 nan 4.420 nan 0.000 0.237 257 P C -0.723 176.610 177.300 0.056 0.000 1.788 257 P CA -0.169 62.977 63.100 0.076 0.000 1.061 257 P CB -0.170 31.617 31.700 0.146 0.000 1.967 258 V N 0.009 119.945 119.914 0.037 0.000 3.049 258 V HA 0.794 4.914 4.120 0.001 0.000 0.309 258 V C -1.205 174.942 176.094 0.088 0.000 1.148 258 V CA -1.029 61.306 62.300 0.058 0.000 0.990 258 V CB 2.924 34.799 31.823 0.086 0.000 1.039 258 V HN 0.467 nan 8.190 nan 0.000 0.430 259 N N 1.137 119.924 118.700 0.145 0.000 2.504 259 N HA 0.406 5.147 4.740 0.001 0.000 0.268 259 N C -1.151 174.363 175.510 0.007 0.000 1.184 259 N CA -0.869 52.247 53.050 0.109 0.000 0.875 259 N CB 2.227 40.728 38.487 0.022 0.000 1.630 259 N HN 0.828 nan 8.380 nan 0.000 0.486 260 R N 0.241 120.579 120.500 -0.269 0.000 2.641 260 R HA 0.340 4.680 4.340 0.001 0.000 0.269 260 R C -0.466 175.618 176.300 -0.360 0.000 1.074 260 R CA -0.455 55.370 56.100 -0.458 0.000 1.133 260 R CB 0.644 30.443 30.300 -0.834 0.000 1.029 260 R HN 0.450 nan 8.270 nan 0.000 0.488 261 L N 3.714 124.779 121.223 -0.262 0.000 2.415 261 L HA 0.378 4.719 4.340 0.001 0.000 0.268 261 L C -1.622 175.290 176.870 0.070 0.000 0.984 261 L CA -0.364 54.378 54.840 -0.163 0.000 0.853 261 L CB 1.097 43.018 42.059 -0.231 0.000 1.215 261 L HN 0.656 nan 8.230 nan 0.000 0.419 262 W N 4.670 125.873 121.300 -0.162 0.000 2.578 262 W HA 0.566 5.227 4.660 0.001 0.000 0.353 262 W C -0.273 176.321 176.519 0.125 0.000 1.088 262 W CA -1.008 56.274 57.345 -0.105 0.000 1.235 262 W CB 0.839 30.207 29.460 -0.155 0.000 1.362 262 W HN 0.453 nan 8.180 nan 0.000 0.592 263 Y N -0.683 119.825 120.300 0.347 0.000 2.553 263 Y HA 0.656 5.207 4.550 0.001 0.000 0.347 263 Y C -1.032 175.061 175.900 0.321 0.000 1.019 263 Y CA -2.035 56.258 58.100 0.321 0.000 1.032 263 Y CB 1.232 39.697 38.460 0.009 0.000 1.284 263 Y HN 0.489 nan 8.280 nan 0.000 0.466 264 C N 3.877 123.390 119.300 0.354 0.000 2.340 264 C HA 0.436 4.896 4.460 0.001 0.000 0.323 264 C C -0.605 174.538 174.990 0.255 0.000 1.260 264 C CA -0.559 58.463 59.018 0.007 0.000 1.464 264 C CB -0.112 27.277 27.740 -0.585 0.000 2.156 264 C HN 0.923 nan 8.230 nan 0.000 0.476 265 D N 4.493 125.066 120.400 0.290 0.000 2.344 265 D HA 0.119 4.760 4.640 0.001 0.000 0.253 265 D C 1.041 177.308 176.300 -0.055 0.000 1.255 265 D CA 0.121 54.181 54.000 0.101 0.000 0.894 265 D CB 0.648 41.555 40.800 0.178 0.000 1.067 265 D HN 0.719 nan 8.370 nan 0.000 0.492 266 L N 3.040 124.198 121.223 -0.109 0.000 2.291 266 L HA -0.122 4.219 4.340 0.001 0.000 0.214 266 L C 2.294 179.114 176.870 -0.083 0.000 1.120 266 L CA 0.642 55.429 54.840 -0.087 0.000 0.799 266 L CB -0.138 41.890 42.059 -0.051 0.000 0.925 266 L HN 0.456 nan 8.230 nan 0.000 0.446 267 Q N -0.402 119.339 119.800 -0.099 0.000 2.291 267 Q HA -0.172 4.169 4.340 0.001 0.000 0.205 267 Q C 1.695 177.666 176.000 -0.048 0.000 0.970 267 Q CA 0.834 56.597 55.803 -0.067 0.000 0.876 267 Q CB 0.112 28.806 28.738 -0.072 0.000 0.935 267 Q HN 0.495 nan 8.270 nan 0.000 0.455 268 Q N 0.256 120.028 119.800 -0.048 0.000 2.403 268 Q HA 0.030 4.370 4.340 0.001 0.000 0.203 268 Q C -0.277 175.691 176.000 -0.054 0.000 0.932 268 Q CA 0.391 56.173 55.803 -0.035 0.000 0.945 268 Q CB 0.569 29.300 28.738 -0.011 0.000 1.045 268 Q HN 0.269 nan 8.270 nan 0.000 0.511 269 E N 1.049 121.207 120.200 -0.070 0.000 2.166 269 E HA 0.081 4.432 4.350 0.001 0.000 0.279 269 E C 0.786 177.352 176.600 -0.057 0.000 1.095 269 E CA -0.033 56.320 56.400 -0.079 0.000 0.888 269 E CB 1.120 30.760 29.700 -0.100 0.000 1.041 269 E HN 0.048 nan 8.360 nan 0.000 0.414 270 S N 3.310 118.980 115.700 -0.049 0.000 2.393 270 S HA -0.251 4.220 4.470 0.001 0.000 0.235 270 S C 1.239 175.820 174.600 -0.031 0.000 1.061 270 S CA 1.695 59.874 58.200 -0.035 0.000 1.129 270 S CB -0.053 63.128 63.200 -0.033 0.000 1.011 270 S HN 0.413 nan 8.310 nan 0.000 0.436 271 N N 0.581 119.259 118.700 -0.036 0.000 2.553 271 N HA 0.375 5.116 4.740 0.001 0.000 0.298 271 N C 0.222 175.710 175.510 -0.036 0.000 1.596 271 N CA 0.680 53.712 53.050 -0.029 0.000 0.910 271 N CB 0.290 38.763 38.487 -0.023 0.000 1.336 271 N HN 0.487 nan 8.380 nan 0.000 0.497 272 G N 0.560 109.331 108.800 -0.048 0.000 2.642 272 G HA2 -0.268 3.693 3.960 0.001 0.000 0.231 272 G HA3 -0.268 3.693 3.960 0.001 0.000 0.231 272 G C -0.339 174.499 174.900 -0.103 0.000 1.338 272 G CA -0.365 44.695 45.100 -0.067 0.000 0.883 272 G HN 0.232 nan 8.290 nan 0.000 0.570 273 I N 2.128 122.601 120.570 -0.161 0.000 2.294 273 I HA 0.364 4.535 4.170 0.001 0.000 0.295 273 I C 1.507 177.559 176.117 -0.109 0.000 1.098 273 I CA 0.639 61.809 61.300 -0.217 0.000 1.277 273 I CB 0.922 38.585 38.000 -0.561 0.000 1.434 273 I HN 0.785 nan 8.210 nan 0.000 0.498 274 T N 0.378 114.894 114.554 -0.063 0.000 3.016 274 T HA 0.502 4.852 4.350 0.001 0.000 0.271 274 T C 0.501 175.201 174.700 0.000 0.000 0.968 274 T CA 0.060 62.149 62.100 -0.018 0.000 0.891 274 T CB 0.773 69.630 68.868 -0.019 0.000 1.149 274 T HN 0.647 nan 8.240 nan 0.000 0.524 275 G N 1.218 110.014 108.800 -0.007 0.000 2.500 275 G HA2 0.469 4.430 3.960 0.001 0.000 0.299 275 G HA3 0.469 4.430 3.960 0.001 0.000 0.299 275 G C -1.619 173.289 174.900 0.012 0.000 1.242 275 G CA -0.988 44.119 45.100 0.011 0.000 0.859 275 G HN 0.180 nan 8.290 nan 0.000 0.481 276 I N 2.168 122.752 120.570 0.022 0.000 2.742 276 I HA 0.088 4.259 4.170 0.001 0.000 0.287 276 I C 0.960 177.053 176.117 -0.041 0.000 1.186 276 I CA 0.332 61.664 61.300 0.053 0.000 1.417 276 I CB -0.531 37.511 38.000 0.070 0.000 1.377 276 I HN 0.240 nan 8.210 nan 0.000 0.556 277 L N 7.005 128.135 121.223 -0.155 0.000 2.472 277 L HA 0.169 4.510 4.340 0.001 0.000 0.260 277 L C 1.028 177.569 176.870 -0.548 0.000 1.209 277 L CA -0.597 53.948 54.840 -0.492 0.000 0.817 277 L CB 0.011 41.514 42.059 -0.926 0.000 1.106 277 L HN 0.461 nan 8.230 nan 0.000 0.479 278 K N 1.926 122.055 120.400 -0.450 0.000 2.121 278 K HA 0.076 4.397 4.320 0.001 0.000 0.235 278 K C -1.073 175.313 176.600 -0.357 0.000 1.200 278 K CA -0.024 56.080 56.287 -0.306 0.000 1.115 278 K CB -0.276 32.104 32.500 -0.199 0.000 1.474 278 K HN 0.314 nan 8.250 nan 0.000 0.295 279 W N 1.714 122.935 121.300 -0.131 0.000 2.322 279 W HA 0.031 4.692 4.660 0.001 0.000 0.328 279 W C 0.263 176.533 176.519 -0.415 0.000 1.395 279 W CA -0.760 56.464 57.345 -0.201 0.000 1.267 279 W CB 0.410 29.802 29.460 -0.114 0.000 1.259 279 W HN 0.056 nan 8.180 nan 0.000 0.560 280 V N 5.019 124.727 119.914 -0.342 0.000 2.383 280 V HA 0.148 4.269 4.120 0.001 0.000 0.275 280 V C 0.261 175.985 176.094 -0.615 0.000 1.036 280 V CA -1.299 60.627 62.300 -0.624 0.000 0.889 280 V CB 0.938 32.110 31.823 -1.084 0.000 0.985 280 V HN 0.398 nan 8.190 nan 0.000 0.459 281 K N 4.612 124.663 120.400 -0.583 0.000 2.222 281 K HA 0.174 4.494 4.320 0.001 0.000 0.243 281 K C 0.897 177.336 176.600 -0.269 0.000 1.160 281 K CA -0.309 55.605 56.287 -0.622 0.000 1.090 281 K CB 0.541 32.522 32.500 -0.866 0.000 1.694 281 K HN 0.546 nan 8.250 nan 0.000 0.361 282 L N 1.992 123.096 121.223 -0.199 0.000 1.970 282 L HA -0.103 4.238 4.340 0.001 0.000 0.212 282 L C 0.519 177.312 176.870 -0.128 0.000 1.071 282 L CA 1.841 56.585 54.840 -0.161 0.000 0.751 282 L CB 0.192 42.130 42.059 -0.202 0.000 0.889 282 L HN 0.390 nan 8.230 nan 0.000 0.432 283 I N 0.654 121.140 120.570 -0.141 0.000 2.390 283 I HA 0.204 4.374 4.170 0.001 0.000 0.283 283 I C -0.615 175.455 176.117 -0.079 0.000 1.016 283 I CA -0.224 60.964 61.300 -0.185 0.000 1.151 283 I CB 0.696 38.422 38.000 -0.458 0.000 1.293 283 I HN 0.103 nan 8.210 nan 0.000 0.458 284 D N 5.595 125.961 120.400 -0.057 0.000 3.058 284 D HA 0.201 4.842 4.640 0.001 0.000 0.272 284 D C -0.235 175.973 176.300 -0.153 0.000 1.350 284 D CA -0.028 53.963 54.000 -0.016 0.000 0.863 284 D CB 0.205 41.010 40.800 0.008 0.000 1.064 284 D HN 0.721 nan 8.370 nan 0.000 0.488 285 N N -2.174 116.361 118.700 -0.275 0.000 3.106 285 N HA 0.283 5.023 4.740 0.001 0.000 0.253 285 N C -1.119 174.136 175.510 -0.426 0.000 1.506 285 N CA -0.765 52.083 53.050 -0.338 0.000 0.876 285 N CB 0.211 38.636 38.487 -0.104 0.000 1.452 285 N HN -0.219 nan 8.380 nan 0.000 0.542 286 F N -0.085 119.830 119.950 -0.058 0.000 2.925 286 F HA 0.412 4.940 4.527 0.001 0.000 0.302 286 F C 1.044 176.833 175.800 -0.018 0.000 1.189 286 F CA -0.493 57.465 58.000 -0.070 0.000 1.346 286 F CB 0.233 39.173 39.000 -0.100 0.000 0.954 286 F HN 0.473 nan 8.300 nan 0.000 0.506 287 E N 0.227 120.508 120.200 0.135 0.000 2.442 287 E HA 0.231 4.582 4.350 0.001 0.000 0.195 287 E C 1.203 177.829 176.600 0.044 0.000 1.030 287 E CA 0.299 56.749 56.400 0.083 0.000 0.869 287 E CB 0.525 30.258 29.700 0.056 0.000 0.857 287 E HN 0.398 nan 8.360 nan 0.000 0.505 288 G N 0.708 109.563 108.800 0.092 0.000 2.673 288 G HA2 0.298 4.259 3.960 0.001 0.000 0.292 288 G HA3 0.298 4.259 3.960 0.001 0.000 0.292 288 G C -1.629 173.191 174.900 -0.134 0.000 1.450 288 G CA -0.743 44.313 45.100 -0.074 0.000 0.837 288 G HN -0.035 nan 8.290 nan 0.000 0.505 289 E N -0.450 119.553 120.200 -0.328 0.000 2.249 289 E HA 0.588 4.938 4.350 0.001 0.000 0.280 289 E C -1.444 174.802 176.600 -0.590 0.000 1.016 289 E CA -0.664 55.597 56.400 -0.232 0.000 0.830 289 E CB 0.899 30.581 29.700 -0.030 0.000 1.081 289 E HN 0.396 nan 8.360 nan 0.000 0.395 290 Y N 2.832 123.125 120.300 -0.011 0.000 2.402 290 Y HA 0.223 4.773 4.550 0.001 0.000 0.325 290 Y C -0.887 175.118 175.900 0.174 0.000 1.009 290 Y CA -1.132 56.926 58.100 -0.070 0.000 1.278 290 Y CB 1.453 39.628 38.460 -0.476 0.000 1.105 290 Y HN 0.482 nan 8.280 nan 0.000 0.476 291 D N 2.332 122.984 120.400 0.420 0.000 2.414 291 D HA 0.117 4.758 4.640 0.001 0.000 0.232 291 D C -0.995 175.603 176.300 0.497 0.000 1.070 291 D CA -0.624 53.614 54.000 0.397 0.000 0.839 291 D CB 0.535 41.468 40.800 0.222 0.000 1.079 291 D HN 0.391 nan 8.370 nan 0.000 0.521 292 Y N 4.011 124.538 120.300 0.379 0.000 2.632 292 Y HA 0.168 4.719 4.550 0.001 0.000 0.329 292 Y C 0.272 176.182 175.900 0.017 0.000 1.174 292 Y CA 0.317 58.486 58.100 0.115 0.000 1.469 292 Y CB 0.739 39.307 38.460 0.179 0.000 1.242 292 Y HN 0.290 nan 8.280 nan 0.000 0.540 293 V N 3.832 123.297 119.914 -0.748 0.000 2.721 293 V HA 0.176 4.296 4.120 0.001 0.000 0.236 293 V C 0.561 176.098 176.094 -0.928 0.000 1.116 293 V CA 1.211 63.156 62.300 -0.593 0.000 1.148 293 V CB 0.396 32.027 31.823 -0.319 0.000 0.886 293 V HN 0.846 nan 8.190 nan 0.000 0.490 294 T N 0.249 114.123 114.554 -1.133 0.000 2.700 294 T HA 0.357 4.707 4.350 0.001 0.000 0.307 294 T C -2.259 172.017 174.700 -0.707 0.000 1.580 294 T CA -0.546 61.044 62.100 -0.849 0.000 0.992 294 T CB 1.670 70.317 68.868 -0.368 0.000 1.577 294 T HN 0.517 nan 8.240 nan 0.000 0.496 295 N N 1.116 119.511 118.700 -0.508 0.000 2.357 295 N HA 0.481 5.222 4.740 0.001 0.000 0.284 295 N C -1.728 173.532 175.510 -0.416 0.000 1.236 295 N CA -0.725 51.877 53.050 -0.747 0.000 0.774 295 N CB 2.225 39.664 38.487 -1.746 0.000 1.534 295 N HN 0.515 nan 8.380 nan 0.000 0.478 296 E N 0.433 120.421 120.200 -0.354 0.000 2.325 296 E HA 0.380 4.731 4.350 0.001 0.000 0.248 296 E C 0.699 177.213 176.600 -0.144 0.000 0.912 296 E CA -0.267 56.022 56.400 -0.185 0.000 0.782 296 E CB 1.106 30.731 29.700 -0.125 0.000 1.264 296 E HN 0.976 nan 8.360 nan 0.000 0.417 297 G N 3.210 111.960 108.800 -0.084 0.000 2.611 297 G HA2 -0.422 3.539 3.960 0.001 0.000 0.301 297 G HA3 -0.422 3.539 3.960 0.001 0.000 0.301 297 G C 0.952 175.850 174.900 -0.003 0.000 1.233 297 G CA 0.860 45.962 45.100 0.004 0.000 0.993 297 G HN 0.568 nan 8.290 nan 0.000 0.553 298 T N -1.438 113.136 114.554 0.033 0.000 3.129 298 T HA 0.426 4.776 4.350 0.001 0.000 0.251 298 T C 0.863 175.522 174.700 -0.068 0.000 1.117 298 T CA 0.975 63.077 62.100 0.003 0.000 1.034 298 T CB 0.124 69.052 68.868 0.100 0.000 0.968 298 T HN 1.025 nan 8.240 nan 0.000 0.526 299 V N 2.738 122.597 119.914 -0.091 0.000 2.372 299 V HA 0.396 4.516 4.120 0.001 0.000 0.261 299 V C -0.569 175.387 176.094 -0.231 0.000 1.055 299 V CA -0.835 61.417 62.300 -0.080 0.000 0.930 299 V CB -0.675 31.117 31.823 -0.051 0.000 1.031 299 V HN 0.322 nan 8.190 nan 0.000 0.479 300 F N 2.511 122.229 119.950 -0.387 0.000 2.415 300 F HA 0.433 4.961 4.527 0.001 0.000 0.348 300 F C 0.959 176.527 175.800 -0.387 0.000 1.119 300 F CA -0.313 57.414 58.000 -0.455 0.000 1.069 300 F CB 1.687 40.343 39.000 -0.574 0.000 1.124 300 F HN 0.319 nan 8.300 nan 0.000 0.472 301 T N 5.147 119.461 114.554 -0.401 0.000 2.771 301 T HA 0.501 4.852 4.350 0.001 0.000 0.291 301 T C -0.799 173.615 174.700 -0.478 0.000 0.954 301 T CA -0.103 61.813 62.100 -0.306 0.000 1.045 301 T CB -0.002 68.705 68.868 -0.267 0.000 0.917 301 T HN 0.166 nan 8.240 nan 0.000 0.484 302 F N 1.830 121.792 119.950 0.019 0.000 2.551 302 F HA 0.492 5.019 4.527 0.001 0.000 0.316 302 F C 0.385 176.203 175.800 0.029 0.000 1.089 302 F CA -1.278 56.760 58.000 0.063 0.000 0.915 302 F CB 1.822 40.908 39.000 0.143 0.000 1.186 302 F HN 0.290 nan 8.300 nan 0.000 0.456 303 K N 1.385 121.919 120.400 0.225 0.000 2.249 303 K HA 0.533 4.854 4.320 0.001 0.000 0.280 303 K C -0.651 176.049 176.600 0.166 0.000 1.033 303 K CA -0.008 56.374 56.287 0.159 0.000 0.946 303 K CB 1.153 33.717 32.500 0.107 0.000 1.005 303 K HN 0.761 nan 8.250 nan 0.000 0.469 304 T N 1.730 116.348 114.554 0.108 0.000 2.883 304 T HA 0.263 4.613 4.350 0.001 0.000 0.301 304 T C -0.422 174.184 174.700 -0.155 0.000 1.158 304 T CA -0.865 61.175 62.100 -0.100 0.000 1.007 304 T CB 0.833 69.554 68.868 -0.245 0.000 1.186 304 T HN 0.796 nan 8.240 nan 0.000 0.499 305 N N 1.332 119.788 118.700 -0.408 0.000 2.204 305 N HA 0.142 4.882 4.740 0.001 0.000 0.219 305 N C 0.226 175.523 175.510 -0.356 0.000 1.151 305 N CA -0.499 52.177 53.050 -0.622 0.000 0.867 305 N CB -0.078 37.789 38.487 -1.034 0.000 1.043 305 N HN 0.355 nan 8.380 nan 0.000 0.516 306 R N 1.746 122.070 120.500 -0.293 0.000 2.446 306 R HA -0.015 4.326 4.340 0.001 0.000 0.325 306 R C -0.232 175.990 176.300 -0.130 0.000 0.997 306 R CA 0.326 56.287 56.100 -0.231 0.000 1.010 306 R CB -1.172 29.101 30.300 -0.045 0.000 0.946 306 R HN 0.271 nan 8.270 nan 0.000 0.422 307 H N 1.218 120.284 119.070 -0.007 0.000 2.822 307 H HA -0.187 4.369 4.556 0.001 0.000 0.295 307 H C -0.901 174.418 175.328 -0.015 0.000 1.151 307 H CA 1.385 57.431 56.048 -0.002 0.000 1.151 307 H CB -1.882 27.895 29.762 0.024 0.000 1.343 307 H HN 0.616 nan 8.280 nan 0.000 0.382 308 S N -1.572 114.124 115.700 -0.006 0.000 2.413 308 S HA 0.272 4.742 4.470 0.001 0.000 0.170 308 S C -1.756 172.755 174.600 -0.148 0.000 1.294 308 S CA -0.826 57.359 58.200 -0.025 0.000 1.201 308 S CB 2.780 65.987 63.200 0.012 0.000 1.328 308 S HN -0.111 nan 8.310 nan 0.000 0.418 309 P HA -0.067 nan 4.420 nan 0.000 0.222 309 P C 0.437 177.726 177.300 -0.018 0.000 1.147 309 P CA 1.019 64.055 63.100 -0.106 0.000 0.790 309 P CB -0.033 31.677 31.700 0.016 0.000 0.780 310 N N -1.554 117.201 118.700 0.092 0.000 2.398 310 N HA 0.016 4.757 4.740 0.001 0.000 0.188 310 N C -0.242 175.508 175.510 0.399 0.000 1.122 310 N CA 0.058 53.268 53.050 0.266 0.000 0.866 310 N CB -0.523 38.108 38.487 0.239 0.000 0.970 310 N HN 0.142 nan 8.380 nan 0.000 0.462 311 Y N -0.346 119.992 120.300 0.064 0.000 2.521 311 Y HA -0.317 4.233 4.550 0.001 0.000 0.021 311 Y C 0.617 176.547 175.900 0.051 0.000 1.717 311 Y CA -0.141 57.978 58.100 0.032 0.000 1.409 311 Y CB -0.532 37.923 38.460 -0.008 0.000 2.055 311 Y HN 0.213 nan 8.280 nan 0.000 0.256 312 R N 0.653 121.257 120.500 0.174 0.000 2.781 312 R HA 0.907 5.247 4.340 0.001 0.000 0.268 312 R C -2.130 174.229 176.300 0.099 0.000 1.047 312 R CA -1.341 54.835 56.100 0.127 0.000 0.925 312 R CB 1.558 31.930 30.300 0.120 0.000 1.246 312 R HN 0.515 nan 8.270 nan 0.000 0.456 313 L N 2.279 123.547 121.223 0.074 0.000 2.296 313 L HA 0.597 4.937 4.340 0.001 0.000 0.286 313 L C -0.078 176.850 176.870 0.097 0.000 1.023 313 L CA -0.990 53.889 54.840 0.065 0.000 0.812 313 L CB 1.601 43.665 42.059 0.008 0.000 1.223 313 L HN 0.565 nan 8.230 nan 0.000 0.421 314 I N 0.025 120.668 120.570 0.123 0.000 2.846 314 I HA 0.520 4.690 4.170 0.001 0.000 0.307 314 I C -0.824 175.360 176.117 0.111 0.000 1.053 314 I CA -0.755 60.628 61.300 0.138 0.000 1.050 314 I CB 2.154 40.251 38.000 0.162 0.000 1.239 314 I HN 0.501 nan 8.210 nan 0.000 0.439 315 N N 4.365 123.127 118.700 0.103 0.000 2.424 315 N HA 0.577 5.317 4.740 0.001 0.000 0.271 315 N C -1.218 174.339 175.510 0.079 0.000 0.985 315 N CA -0.593 52.505 53.050 0.080 0.000 0.921 315 N CB 2.041 40.567 38.487 0.066 0.000 1.149 315 N HN 0.459 nan 8.380 nan 0.000 0.492 316 I N 1.124 121.744 120.570 0.083 0.000 2.339 316 I HA 0.155 4.325 4.170 0.001 0.000 0.290 316 I C -0.367 175.879 176.117 0.215 0.000 0.994 316 I CA -0.679 60.658 61.300 0.061 0.000 1.191 316 I CB 1.346 39.291 38.000 -0.093 0.000 1.343 316 I HN 0.398 nan 8.210 nan 0.000 0.458 317 D N 5.962 126.504 120.400 0.237 0.000 2.313 317 D HA 0.135 4.776 4.640 0.001 0.000 0.239 317 D C 0.802 177.304 176.300 0.335 0.000 1.142 317 D CA -0.215 53.915 54.000 0.215 0.000 0.847 317 D CB 0.817 41.723 40.800 0.177 0.000 1.082 317 D HN 0.242 nan 8.370 nan 0.000 0.480 318 F N 1.487 121.452 119.950 0.026 0.000 2.307 318 F HA -0.137 4.390 4.527 0.001 0.000 0.301 318 F C 2.529 178.368 175.800 0.065 0.000 1.076 318 F CA 1.182 59.155 58.000 -0.046 0.000 1.383 318 F CB -1.174 37.624 39.000 -0.337 0.000 1.055 318 F HN 0.430 nan 8.300 nan 0.000 0.526 319 T N -3.987 110.727 114.554 0.267 0.000 3.129 319 T HA 0.057 4.408 4.350 0.001 0.000 0.251 319 T C 0.296 175.094 174.700 0.164 0.000 1.117 319 T CA 0.430 62.647 62.100 0.194 0.000 1.034 319 T CB -0.023 68.941 68.868 0.158 0.000 0.968 319 T HN 0.031 nan 8.240 nan 0.000 0.526 320 D N 1.284 121.797 120.400 0.189 0.000 3.118 320 D HA 0.258 4.899 4.640 0.001 0.000 0.286 320 D C -2.278 174.156 176.300 0.223 0.000 1.255 320 D CA -1.495 52.606 54.000 0.169 0.000 0.748 320 D CB 1.211 42.099 40.800 0.147 0.000 1.332 320 D HN 0.058 nan 8.370 nan 0.000 0.575 321 P HA 0.065 nan 4.420 nan 0.000 0.245 321 P C -0.180 177.335 177.300 0.357 0.000 1.206 321 P CA 0.069 63.362 63.100 0.323 0.000 0.781 321 P CB 0.292 32.127 31.700 0.225 0.000 0.994 322 E N 1.048 121.346 120.200 0.163 0.000 2.502 322 E HA -0.105 4.246 4.350 0.001 0.000 0.261 322 E C 1.148 177.606 176.600 -0.236 0.000 0.974 322 E CA 0.041 56.442 56.400 0.002 0.000 0.936 322 E CB 0.618 30.301 29.700 -0.029 0.000 0.926 322 E HN 0.227 nan 8.360 nan 0.000 0.459 323 E N 2.193 122.032 120.200 -0.602 0.000 2.130 323 E HA -0.277 4.073 4.350 0.001 0.000 0.196 323 E C 1.753 177.845 176.600 -0.846 0.000 0.998 323 E CA 1.650 57.170 56.400 -1.467 0.000 0.806 323 E CB 0.045 29.050 29.700 -1.158 0.000 0.738 323 E HN 0.575 nan 8.360 nan 0.000 0.459 324 S N -0.295 115.176 115.700 -0.381 0.000 2.469 324 S HA -0.073 4.397 4.470 0.001 0.000 0.238 324 S C 1.576 176.138 174.600 -0.063 0.000 0.998 324 S CA 0.621 58.716 58.200 -0.175 0.000 0.957 324 S CB 0.013 63.152 63.200 -0.103 0.000 0.764 324 S HN 0.103 nan 8.310 nan 0.000 0.514 325 K N 0.051 120.435 120.400 -0.027 0.000 2.379 325 K HA 0.153 4.473 4.320 0.001 0.000 0.194 325 K C -0.225 176.555 176.600 0.300 0.000 1.031 325 K CA -0.214 56.151 56.287 0.131 0.000 1.037 325 K CB -0.225 32.369 32.500 0.156 0.000 0.824 325 K HN 0.479 nan 8.250 nan 0.000 0.516 326 W N 3.021 124.381 121.300 0.100 0.000 2.257 326 W HA 0.069 4.729 4.660 0.001 0.000 0.337 326 W C 0.894 177.477 176.519 0.107 0.000 1.321 326 W CA -0.832 56.587 57.345 0.123 0.000 1.267 326 W CB -0.194 29.353 29.460 0.145 0.000 1.187 326 W HN -0.137 nan 8.180 nan 0.000 0.565 327 K N 2.422 123.010 120.400 0.312 0.000 2.183 327 K HA 0.408 4.728 4.320 0.001 0.000 0.274 327 K C -0.851 175.867 176.600 0.196 0.000 1.009 327 K CA -0.502 55.909 56.287 0.206 0.000 0.888 327 K CB 0.991 33.579 32.500 0.145 0.000 1.078 327 K HN 0.210 nan 8.250 nan 0.000 0.459 328 V N 6.951 126.967 119.914 0.170 0.000 2.387 328 V HA -0.002 4.118 4.120 0.001 0.000 0.260 328 V C 1.171 177.331 176.094 0.110 0.000 1.054 328 V CA -0.239 62.150 62.300 0.148 0.000 0.967 328 V CB 0.599 32.505 31.823 0.138 0.000 1.036 328 V HN 0.830 nan 8.190 nan 0.000 0.481 329 L N 6.471 127.752 121.223 0.097 0.000 2.068 329 L HA 0.190 4.530 4.340 0.001 0.000 0.204 329 L C 0.775 177.689 176.870 0.073 0.000 1.076 329 L CA 1.829 56.713 54.840 0.074 0.000 0.753 329 L CB 0.472 42.562 42.059 0.051 0.000 0.910 329 L HN 0.447 nan 8.230 nan 0.000 0.439 330 V N 1.134 121.088 119.914 0.067 0.000 2.398 330 V HA 0.379 4.500 4.120 0.001 0.000 0.282 330 V C -2.311 173.839 176.094 0.093 0.000 1.014 330 V CA -1.537 60.805 62.300 0.069 0.000 0.838 330 V CB 0.982 32.809 31.823 0.006 0.000 1.018 330 V HN 0.084 nan 8.190 nan 0.000 0.432 331 P HA 0.066 nan 4.420 nan 0.000 0.269 331 P C 0.044 177.421 177.300 0.128 0.000 1.217 331 P CA -0.105 63.056 63.100 0.102 0.000 0.783 331 P CB 0.678 32.425 31.700 0.077 0.000 0.898 332 E N 1.255 121.529 120.200 0.124 0.000 2.414 332 E HA -0.056 4.294 4.350 0.001 0.000 0.263 332 E C -0.121 176.569 176.600 0.149 0.000 1.000 332 E CA -0.096 56.395 56.400 0.153 0.000 0.914 332 E CB 0.283 30.053 29.700 0.117 0.000 0.948 332 E HN 0.451 nan 8.360 nan 0.000 0.444 333 H N 3.048 122.184 119.070 0.110 0.000 2.551 333 H HA 0.029 4.586 4.556 0.001 0.000 0.358 333 H C 0.479 175.846 175.328 0.065 0.000 1.151 333 H CA 0.241 56.324 56.048 0.058 0.000 1.374 333 H CB 1.153 30.928 29.762 0.022 0.000 1.473 333 H HN 0.665 nan 8.280 nan 0.000 0.574 334 E N 2.525 122.640 120.200 -0.141 0.000 2.204 334 E HA -0.124 4.227 4.350 0.001 0.000 0.195 334 E C 1.311 178.019 176.600 0.181 0.000 0.990 334 E CA 0.962 57.365 56.400 0.005 0.000 0.821 334 E CB 0.686 30.326 29.700 -0.101 0.000 0.750 334 E HN 0.508 nan 8.360 nan 0.000 0.477 335 K N -0.194 120.474 120.400 0.447 0.000 2.665 335 K HA 0.040 4.361 4.320 0.001 0.000 0.197 335 K C -0.554 176.208 176.600 0.270 0.000 1.463 335 K CA -0.065 56.413 56.287 0.318 0.000 1.107 335 K CB 0.829 33.482 32.500 0.255 0.000 1.584 335 K HN -0.083 nan 8.250 nan 0.000 0.558 336 D N 1.926 122.418 120.400 0.153 0.000 2.351 336 D HA 0.094 4.735 4.640 0.001 0.000 0.251 336 D C -0.650 175.745 176.300 0.158 0.000 1.137 336 D CA 0.010 53.985 54.000 -0.041 0.000 0.879 336 D CB 1.720 42.213 40.800 -0.511 0.000 1.181 336 D HN -0.136 nan 8.370 nan 0.000 0.448 337 V N 3.292 123.293 119.914 0.145 0.000 2.461 337 V HA 0.049 4.169 4.120 0.001 0.000 0.275 337 V C 0.342 176.492 176.094 0.093 0.000 1.047 337 V CA -0.833 61.556 62.300 0.148 0.000 0.955 337 V CB 1.288 33.136 31.823 0.041 0.000 0.988 337 V HN 0.348 nan 8.190 nan 0.000 0.471 338 L N 5.675 126.908 121.223 0.017 0.000 2.515 338 L HA 0.208 4.548 4.340 0.001 0.000 0.281 338 L C 1.278 177.907 176.870 -0.401 0.000 1.131 338 L CA 0.814 55.406 54.840 -0.412 0.000 0.905 338 L CB -0.089 41.763 42.059 -0.346 0.000 1.246 338 L HN 0.711 nan 8.230 nan 0.000 0.463 339 E N 5.438 125.374 120.200 -0.441 0.000 2.051 339 E HA -0.012 4.338 4.350 0.001 0.000 0.189 339 E C -0.460 176.026 176.600 -0.191 0.000 0.979 339 E CA 1.294 57.502 56.400 -0.319 0.000 0.803 339 E CB 0.189 29.757 29.700 -0.221 0.000 0.761 339 E HN 0.752 nan 8.360 nan 0.000 0.451 340 W N -1.437 119.685 121.300 -0.296 0.000 3.059 340 W HA 0.564 5.225 4.660 0.001 0.000 0.329 340 W C -1.731 174.624 176.519 -0.273 0.000 1.246 340 W CA -0.795 56.402 57.345 -0.246 0.000 1.190 340 W CB 0.724 30.072 29.460 -0.186 0.000 1.423 340 W HN -0.383 nan 8.180 nan 0.000 0.571 341 V N 1.221 121.254 119.914 0.200 0.000 2.808 341 V HA 0.779 4.899 4.120 0.001 0.000 0.308 341 V C -0.364 175.816 176.094 0.144 0.000 1.099 341 V CA -0.644 61.675 62.300 0.032 0.000 0.920 341 V CB 1.091 32.862 31.823 -0.087 0.000 1.014 341 V HN 0.913 nan 8.190 nan 0.000 0.425 342 A N 2.366 125.246 122.820 0.100 0.000 2.413 342 A HA 0.827 5.148 4.320 0.001 0.000 0.307 342 A C -0.764 176.879 177.584 0.099 0.000 1.087 342 A CA -0.511 51.586 52.037 0.101 0.000 0.750 342 A CB 1.816 20.891 19.000 0.126 0.000 1.296 342 A HN 1.100 nan 8.150 nan 0.000 0.423 343 C N 1.833 121.190 119.300 0.096 0.000 2.329 343 C HA 0.814 5.274 4.460 0.001 0.000 0.329 343 C C -0.366 174.724 174.990 0.166 0.000 1.275 343 C CA -0.148 58.926 59.018 0.094 0.000 1.726 343 C CB -0.064 27.669 27.740 -0.010 0.000 2.291 343 C HN 1.071 nan 8.230 nan 0.000 0.514 344 V N 6.965 127.005 119.914 0.210 0.000 2.971 344 V HA 0.671 4.791 4.120 0.001 0.000 0.309 344 V C 0.242 176.450 176.094 0.189 0.000 1.130 344 V CA -0.567 61.871 62.300 0.231 0.000 0.964 344 V CB 1.738 33.753 31.823 0.321 0.000 1.029 344 V HN 1.055 nan 8.190 nan 0.000 0.427 345 R N 3.951 124.525 120.500 0.124 0.000 3.251 345 R HA -0.212 4.129 4.340 0.001 0.000 0.249 345 R C 0.919 177.163 176.300 -0.093 0.000 0.949 345 R CA 0.883 57.000 56.100 0.028 0.000 0.645 345 R CB -1.420 28.918 30.300 0.064 0.000 1.065 345 R HN 1.413 nan 8.270 nan 0.000 0.452 346 S N -1.379 114.296 115.700 -0.042 0.000 1.832 346 S HA -0.339 4.132 4.470 0.001 0.000 0.231 346 S C 0.674 175.222 174.600 -0.086 0.000 0.901 346 S CA 2.082 60.242 58.200 -0.067 0.000 1.687 346 S CB -0.959 62.187 63.200 -0.090 0.000 1.858 346 S HN 0.888 nan 8.310 nan 0.000 0.523 347 N N 0.990 119.584 118.700 -0.177 0.000 2.299 347 N HA 0.353 5.094 4.740 0.001 0.000 0.246 347 N C -0.917 174.563 175.510 -0.050 0.000 1.254 347 N CA -0.163 52.803 53.050 -0.141 0.000 0.879 347 N CB -0.109 38.277 38.487 -0.167 0.000 1.214 347 N HN 0.385 nan 8.380 nan 0.000 0.510 348 F N 0.874 120.850 119.950 0.043 0.000 2.450 348 F HA 0.569 5.096 4.527 0.001 0.000 0.332 348 F C 0.314 176.155 175.800 0.068 0.000 1.093 348 F CA -1.422 56.618 58.000 0.066 0.000 1.003 348 F CB 1.479 40.535 39.000 0.094 0.000 1.151 348 F HN -0.175 nan 8.300 nan 0.000 0.474 349 L N 3.210 124.606 121.223 0.288 0.000 2.341 349 L HA 0.590 4.930 4.340 0.001 0.000 0.278 349 L C -0.894 176.055 176.870 0.133 0.000 1.005 349 L CA -1.000 53.931 54.840 0.152 0.000 0.818 349 L CB 1.967 44.070 42.059 0.073 0.000 1.259 349 L HN 0.193 nan 8.230 nan 0.000 0.418 350 V N 4.991 124.951 119.914 0.076 0.000 2.350 350 V HA 0.364 4.485 4.120 0.001 0.000 0.276 350 V C 0.114 176.084 176.094 -0.208 0.000 1.028 350 V CA -0.383 61.918 62.300 0.002 0.000 0.860 350 V CB 1.327 33.144 31.823 -0.011 0.000 0.990 350 V HN 0.466 nan 8.190 nan 0.000 0.453 351 L N 4.602 125.670 121.223 -0.258 0.000 2.307 351 L HA 0.526 4.867 4.340 0.001 0.000 0.284 351 L C -0.247 176.204 176.870 -0.699 0.000 1.023 351 L CA -0.247 54.282 54.840 -0.519 0.000 0.810 351 L CB 1.672 43.425 42.059 -0.511 0.000 1.231 351 L HN 0.647 nan 8.230 nan 0.000 0.423 352 C N 3.977 122.587 119.300 -1.149 0.000 2.264 352 C HA 0.567 5.027 4.460 0.001 0.000 0.324 352 C C -0.212 174.288 174.990 -0.817 0.000 1.267 352 C CA -0.357 57.996 59.018 -1.108 0.000 1.618 352 C CB -0.341 26.211 27.740 -1.979 0.000 2.278 352 C HN 0.615 nan 8.230 nan 0.000 0.499 353 Y N 3.885 123.961 120.300 -0.373 0.000 2.419 353 Y HA 0.662 5.213 4.550 0.001 0.000 0.328 353 Y C 0.017 175.816 175.900 -0.169 0.000 1.162 353 Y CA -0.698 57.256 58.100 -0.243 0.000 1.174 353 Y CB 1.317 39.664 38.460 -0.189 0.000 1.228 353 Y HN 0.524 nan 8.280 nan 0.000 0.473 354 L N 3.108 124.365 121.223 0.057 0.000 2.294 354 L HA 0.339 4.680 4.340 0.001 0.000 0.283 354 L C -1.335 175.555 176.870 0.032 0.000 1.015 354 L CA -0.467 54.379 54.840 0.011 0.000 0.831 354 L CB 0.280 42.299 42.059 -0.067 0.000 1.217 354 L HN 0.664 nan 8.230 nan 0.000 0.420 355 H N 4.279 123.326 119.070 -0.039 0.000 2.638 355 H HA 0.352 4.908 4.556 0.001 0.000 0.303 355 H C -0.568 174.767 175.328 0.013 0.000 1.034 355 H CA -0.406 55.616 56.048 -0.043 0.000 1.225 355 H CB 0.485 30.212 29.762 -0.059 0.000 1.394 355 H HN 0.664 nan 8.280 nan 0.000 0.477 356 D N 4.705 124.872 120.400 -0.388 0.000 2.697 356 D HA -0.181 4.459 4.640 0.001 0.000 0.235 356 D C 0.339 176.571 176.300 -0.113 0.000 1.167 356 D CA 1.219 55.096 54.000 -0.205 0.000 0.656 356 D CB -1.160 39.545 40.800 -0.159 0.000 1.025 356 D HN 0.641 nan 8.370 nan 0.000 0.419 357 V N -2.825 116.988 119.914 -0.168 0.000 4.032 357 V HA -0.363 3.757 4.120 0.001 0.000 0.231 357 V C 0.635 176.849 176.094 0.200 0.000 0.429 357 V CA 1.915 64.213 62.300 -0.005 0.000 0.934 357 V CB -2.013 29.821 31.823 0.019 0.000 1.004 357 V HN 0.507 nan 8.190 nan 0.000 1.283 358 K N 0.066 120.552 120.400 0.142 0.000 2.375 358 K HA 0.627 4.947 4.320 0.001 0.000 0.249 358 K C -0.236 176.438 176.600 0.123 0.000 0.942 358 K CA -0.733 55.654 56.287 0.167 0.000 0.806 358 K CB 1.962 34.600 32.500 0.231 0.000 1.227 358 K HN 0.359 nan 8.250 nan 0.000 0.430 359 N N 0.595 119.361 118.700 0.111 0.000 2.518 359 N HA 0.246 4.987 4.740 0.001 0.000 0.283 359 N C -0.946 174.622 175.510 0.098 0.000 1.119 359 N CA -0.260 52.840 53.050 0.084 0.000 0.983 359 N CB 1.080 39.614 38.487 0.079 0.000 1.139 359 N HN 0.550 nan 8.380 nan 0.000 0.465 360 T N -0.623 113.964 114.554 0.055 0.000 2.887 360 T HA 0.498 4.848 4.350 0.001 0.000 0.288 360 T C -0.634 174.058 174.700 -0.014 0.000 1.021 360 T CA -0.876 61.243 62.100 0.031 0.000 1.000 360 T CB 0.956 69.829 68.868 0.007 0.000 1.034 360 T HN 0.186 nan 8.240 nan 0.000 0.467 361 L N 2.188 123.399 121.223 -0.020 0.000 2.341 361 L HA 0.532 4.872 4.340 0.001 0.000 0.278 361 L C -0.408 176.508 176.870 0.077 0.000 1.005 361 L CA -0.688 54.124 54.840 -0.046 0.000 0.818 361 L CB 1.869 43.848 42.059 -0.133 0.000 1.259 361 L HN 0.803 nan 8.230 nan 0.000 0.418 362 Q N 3.382 123.226 119.800 0.073 0.000 2.397 362 Q HA 0.515 4.855 4.340 0.001 0.000 0.275 362 Q C -1.502 174.575 176.000 0.127 0.000 1.090 362 Q CA -0.931 54.904 55.803 0.054 0.000 0.809 362 Q CB 3.547 32.401 28.738 0.192 0.000 1.362 362 Q HN 0.368 nan 8.270 nan 0.000 0.431 363 L N 1.924 123.098 121.223 -0.081 0.000 2.296 363 L HA 0.435 4.776 4.340 0.001 0.000 0.286 363 L C -1.099 175.713 176.870 -0.096 0.000 1.023 363 L CA -0.003 54.808 54.840 -0.048 0.000 0.812 363 L CB 0.826 42.707 42.059 -0.297 0.000 1.223 363 L HN 0.613 nan 8.230 nan 0.000 0.421 364 H N 1.739 120.774 119.070 -0.058 0.000 2.731 364 H HA 0.269 4.825 4.556 0.001 0.000 0.368 364 H C -1.340 174.046 175.328 0.095 0.000 1.168 364 H CA -0.915 55.131 56.048 -0.003 0.000 1.181 364 H CB 2.232 32.003 29.762 0.015 0.000 1.743 364 H HN 0.564 nan 8.280 nan 0.000 0.547 365 D N 1.192 121.717 120.400 0.208 0.000 2.308 365 D HA -0.007 4.633 4.640 0.001 0.000 0.251 365 D C 0.924 177.322 176.300 0.162 0.000 1.127 365 D CA -0.447 53.683 54.000 0.217 0.000 0.876 365 D CB 1.077 41.963 40.800 0.143 0.000 1.176 365 D HN 0.277 nan 8.370 nan 0.000 0.446 366 L N 4.863 126.164 121.223 0.130 0.000 2.093 366 L HA 0.048 4.388 4.340 0.001 0.000 0.208 366 L C 1.945 178.836 176.870 0.036 0.000 1.085 366 L CA 2.191 57.068 54.840 0.061 0.000 0.755 366 L CB -0.811 41.259 42.059 0.018 0.000 0.904 366 L HN 0.602 nan 8.230 nan 0.000 0.435 367 A N -1.263 121.578 122.820 0.035 0.000 1.902 367 A HA -0.174 4.147 4.320 0.001 0.000 0.217 367 A C 2.221 179.828 177.584 0.037 0.000 1.181 367 A CA 2.340 54.392 52.037 0.024 0.000 0.623 367 A CB -0.993 18.017 19.000 0.017 0.000 0.818 367 A HN 0.605 nan 8.150 nan 0.000 0.443 368 T N -6.214 108.373 114.554 0.054 0.000 2.971 368 T HA 0.438 4.788 4.350 0.001 0.000 0.252 368 T C 1.482 176.229 174.700 0.078 0.000 1.022 368 T CA 1.051 63.186 62.100 0.058 0.000 0.980 368 T CB 0.445 69.344 68.868 0.050 0.000 1.044 368 T HN 1.702 nan 8.240 nan 0.000 0.501 369 G N 1.900 110.762 108.800 0.103 0.000 2.179 369 G HA2 -0.111 3.849 3.960 0.001 0.000 0.260 369 G HA3 -0.111 3.849 3.960 0.001 0.000 0.260 369 G C 0.432 175.480 174.900 0.248 0.000 0.977 369 G CA -0.001 45.191 45.100 0.154 0.000 0.641 369 G HN 1.305 nan 8.290 nan 0.000 0.533 370 A N 0.257 123.157 122.820 0.134 0.000 2.546 370 A HA 0.526 4.846 4.320 0.001 0.000 0.243 370 A C 0.733 178.253 177.584 -0.107 0.000 1.063 370 A CA 0.517 52.582 52.037 0.047 0.000 0.757 370 A CB 0.339 19.345 19.000 0.010 0.000 0.991 370 A HN 1.703 nan 8.150 nan 0.000 0.503 371 L N 2.894 123.928 121.223 -0.315 0.000 2.499 371 L HA 0.168 4.509 4.340 0.001 0.000 0.273 371 L C 0.613 177.249 176.870 -0.389 0.000 1.195 371 L CA 0.710 55.131 54.840 -0.698 0.000 0.882 371 L CB 0.072 41.843 42.059 -0.481 0.000 1.133 371 L HN 0.724 nan 8.230 nan 0.000 0.483 372 L N 2.888 123.864 121.223 -0.412 0.000 2.547 372 L HA 0.362 4.702 4.340 0.001 0.000 0.218 372 L C 0.150 176.821 176.870 -0.333 0.000 1.048 372 L CA -0.070 54.594 54.840 -0.292 0.000 0.859 372 L CB -0.013 41.889 42.059 -0.262 0.000 1.128 372 L HN 0.615 nan 8.230 nan 0.000 0.483 373 K N 0.543 120.683 120.400 -0.433 0.000 2.557 373 K HA 0.492 4.813 4.320 0.001 0.000 0.257 373 K C -1.765 174.473 176.600 -0.603 0.000 0.933 373 K CA -0.216 55.756 56.287 -0.525 0.000 0.820 373 K CB 1.609 33.703 32.500 -0.677 0.000 1.330 373 K HN -0.045 nan 8.250 nan 0.000 0.432 374 I N 4.802 125.069 120.570 -0.504 0.000 2.339 374 I HA 0.388 4.559 4.170 0.001 0.000 0.290 374 I C -0.615 175.233 176.117 -0.448 0.000 0.994 374 I CA -0.836 60.219 61.300 -0.409 0.000 1.191 374 I CB 0.769 38.630 38.000 -0.230 0.000 1.343 374 I HN 0.470 nan 8.210 nan 0.000 0.458 375 F N 7.710 127.564 119.950 -0.160 0.000 2.444 375 F HA 0.300 4.828 4.527 0.001 0.000 0.360 375 F C -1.708 173.993 175.800 -0.165 0.000 1.106 375 F CA -2.446 55.450 58.000 -0.174 0.000 1.170 375 F CB -0.002 38.835 39.000 -0.270 0.000 1.113 375 F HN 0.252 nan 8.300 nan 0.000 0.521 376 P HA 0.286 nan 4.420 nan 0.000 0.271 376 P C -0.908 176.328 177.300 -0.108 0.000 1.220 376 P CA 0.039 63.102 63.100 -0.062 0.000 0.768 376 P CB 1.197 32.855 31.700 -0.071 0.000 0.848 377 L N 1.843 123.013 121.223 -0.088 0.000 2.445 377 L HA 0.344 4.685 4.340 0.001 0.000 0.262 377 L C 0.709 177.492 176.870 -0.144 0.000 0.974 377 L CA -1.070 53.684 54.840 -0.143 0.000 0.822 377 L CB 2.201 44.281 42.059 0.036 0.000 1.339 377 L HN 0.243 nan 8.230 nan 0.000 0.409 378 E N 0.806 120.785 120.200 -0.369 0.000 2.451 378 E HA 0.100 4.451 4.350 0.001 0.000 0.256 378 E C -0.489 176.210 176.600 0.166 0.000 1.294 378 E CA -0.194 56.105 56.400 -0.168 0.000 1.005 378 E CB 0.821 30.347 29.700 -0.289 0.000 0.990 378 E HN 0.185 nan 8.360 nan 0.000 0.505 379 V N 0.861 120.934 119.914 0.264 0.000 2.479 379 V HA 0.425 4.546 4.120 0.001 0.000 0.281 379 V C 0.896 177.228 176.094 0.397 0.000 1.031 379 V CA 1.522 64.009 62.300 0.312 0.000 1.038 379 V CB 0.237 32.206 31.823 0.243 0.000 0.981 379 V HN 0.819 nan 8.190 nan 0.000 0.478 380 G N 4.490 113.451 108.800 0.268 0.000 2.441 380 G HA2 0.287 4.247 3.960 0.001 0.000 0.222 380 G HA3 0.287 4.247 3.960 0.001 0.000 0.222 380 G C -0.945 173.890 174.900 -0.109 0.000 1.254 380 G CA -0.156 44.878 45.100 -0.109 0.000 0.959 380 G HN 0.642 nan 8.290 nan 0.000 0.474 381 S N -1.032 114.467 115.700 -0.337 0.000 2.536 381 S HA 0.677 5.148 4.470 0.001 0.000 0.298 381 S C -0.380 174.199 174.600 -0.034 0.000 1.083 381 S CA -0.543 57.576 58.200 -0.135 0.000 0.995 381 S CB 2.010 65.109 63.200 -0.169 0.000 1.058 381 S HN 0.903 nan 8.310 nan 0.000 0.488 382 V N 3.159 123.162 119.914 0.149 0.000 2.406 382 V HA 0.223 4.343 4.120 0.001 0.000 0.272 382 V C 0.854 177.095 176.094 0.245 0.000 1.043 382 V CA -0.211 62.261 62.300 0.286 0.000 0.915 382 V CB 0.880 32.928 31.823 0.375 0.000 0.988 382 V HN 0.870 nan 8.190 nan 0.000 0.466 383 V N 1.749 121.784 119.914 0.203 0.000 3.432 383 V HA 0.683 4.803 4.120 0.001 0.000 0.298 383 V C 0.603 176.778 176.094 0.136 0.000 1.464 383 V CA 0.484 62.860 62.300 0.126 0.000 1.046 383 V CB 0.326 32.175 31.823 0.044 0.000 0.887 383 V HN 0.796 nan 8.190 nan 0.000 0.441 384 G N -0.433 108.499 108.800 0.221 0.000 2.667 384 G HA2 0.634 4.594 3.960 0.001 0.000 0.298 384 G HA3 0.634 4.594 3.960 0.001 0.000 0.298 384 G C -2.258 172.845 174.900 0.338 0.000 1.377 384 G CA -0.855 44.374 45.100 0.216 0.000 0.964 384 G HN 0.415 nan 8.290 nan 0.000 0.493 385 Y N 1.248 121.618 120.300 0.116 0.000 2.482 385 Y HA 0.664 5.215 4.550 0.001 0.000 0.334 385 Y C -0.646 175.340 175.900 0.144 0.000 1.091 385 Y CA -0.866 57.330 58.100 0.160 0.000 1.027 385 Y CB 2.100 40.540 38.460 -0.035 0.000 1.306 385 Y HN 0.998 nan 8.280 nan 0.000 0.446 386 S N 3.411 118.676 115.700 -0.726 0.000 2.546 386 S HA 0.951 5.422 4.470 0.001 0.000 0.274 386 S C -0.599 173.538 174.600 -0.770 0.000 1.121 386 S CA -0.392 57.484 58.200 -0.540 0.000 0.887 386 S CB 1.707 64.953 63.200 0.076 0.000 1.094 386 S HN 1.939 nan 8.310 nan 0.000 0.474 387 G N 2.361 110.964 108.800 -0.329 0.000 1.968 387 G HA2 0.336 4.297 3.960 0.001 0.000 0.183 387 G HA3 0.336 4.297 3.960 0.001 0.000 0.183 387 G C -1.080 173.944 174.900 0.207 0.000 1.665 387 G CA -0.410 44.688 45.100 -0.003 0.000 1.015 387 G HN 1.020 nan 8.290 nan 0.000 0.624 388 Q N 1.465 121.364 119.800 0.166 0.000 2.427 388 Q HA 0.579 4.919 4.340 0.001 0.000 0.232 388 Q C 1.358 177.446 176.000 0.146 0.000 1.018 388 Q CA -0.801 55.104 55.803 0.170 0.000 0.965 388 Q CB 1.637 30.460 28.738 0.142 0.000 1.232 388 Q HN 0.285 nan 8.270 nan 0.000 0.510 389 K N 0.248 120.722 120.400 0.124 0.000 2.074 389 K HA -0.205 4.115 4.320 0.001 0.000 0.209 389 K C 1.820 178.465 176.600 0.075 0.000 1.048 389 K CA 2.283 58.625 56.287 0.092 0.000 0.926 389 K CB -0.000 32.546 32.500 0.077 0.000 0.713 389 K HN 0.631 nan 8.250 nan 0.000 0.444 390 K N -0.363 120.082 120.400 0.075 0.000 2.404 390 K HA 0.049 4.369 4.320 0.001 0.000 0.194 390 K C -0.373 176.260 176.600 0.055 0.000 1.023 390 K CA 0.053 56.372 56.287 0.054 0.000 1.094 390 K CB 0.291 32.818 32.500 0.045 0.000 0.841 390 K HN -0.031 nan 8.250 nan 0.000 0.523 391 D N 2.387 122.835 120.400 0.079 0.000 2.362 391 D HA -0.021 4.619 4.640 0.001 0.000 0.242 391 D C 0.476 176.835 176.300 0.099 0.000 1.132 391 D CA 0.512 54.567 54.000 0.092 0.000 0.907 391 D CB 1.762 42.635 40.800 0.121 0.000 1.195 391 D HN 0.314 nan 8.370 nan 0.000 0.429 392 T N -1.960 112.654 114.554 0.100 0.000 3.228 392 T HA 0.222 4.573 4.350 0.001 0.000 0.278 392 T C 0.223 174.980 174.700 0.094 0.000 1.014 392 T CA -0.548 61.611 62.100 0.098 0.000 0.904 392 T CB 0.037 68.951 68.868 0.077 0.000 1.110 392 T HN 0.587 nan 8.240 nan 0.000 0.541 393 E N 0.934 121.189 120.200 0.090 0.000 2.407 393 E HA 0.594 4.945 4.350 0.001 0.000 0.279 393 E C -1.355 175.237 176.600 -0.014 0.000 1.012 393 E CA -1.400 54.993 56.400 -0.013 0.000 0.800 393 E CB 1.653 31.356 29.700 0.006 0.000 1.276 393 E HN 0.403 nan 8.360 nan 0.000 0.452 394 I N -1.653 118.824 120.570 -0.155 0.000 2.785 394 I HA 0.702 4.872 4.170 0.001 0.000 0.302 394 I C -1.408 174.532 176.117 -0.296 0.000 1.069 394 I CA -1.191 60.049 61.300 -0.100 0.000 1.045 394 I CB 1.460 39.513 38.000 0.088 0.000 1.236 394 I HN 0.399 nan 8.210 nan 0.000 0.429 395 F N 3.691 123.649 119.950 0.014 0.000 2.522 395 F HA 0.747 5.275 4.527 0.001 0.000 0.324 395 F C -0.507 175.384 175.800 0.152 0.000 1.077 395 F CA -0.580 57.426 58.000 0.010 0.000 0.944 395 F CB 1.918 40.898 39.000 -0.033 0.000 1.175 395 F HN 0.570 nan 8.300 nan 0.000 0.468 396 Y N -0.815 119.682 120.300 0.327 0.000 2.609 396 Y HA 0.639 5.189 4.550 0.001 0.000 0.336 396 Y C -1.516 174.615 175.900 0.386 0.000 1.129 396 Y CA -1.389 56.927 58.100 0.360 0.000 1.040 396 Y CB 1.368 40.056 38.460 0.379 0.000 1.310 396 Y HN 0.624 nan 8.280 nan 0.000 0.460 397 Q N 2.210 122.300 119.800 0.483 0.000 2.353 397 Q HA 0.542 4.883 4.340 0.001 0.000 0.268 397 Q C -2.116 174.151 176.000 0.445 0.000 1.045 397 Q CA -0.956 55.056 55.803 0.348 0.000 0.811 397 Q CB 2.168 31.052 28.738 0.243 0.000 1.305 397 Q HN 0.745 nan 8.270 nan 0.000 0.447 398 F N 1.958 122.066 119.950 0.263 0.000 2.450 398 F HA 0.683 5.210 4.527 0.001 0.000 0.332 398 F C -0.756 175.111 175.800 0.113 0.000 1.093 398 F CA -0.136 58.013 58.000 0.247 0.000 1.003 398 F CB 2.083 41.301 39.000 0.364 0.000 1.151 398 F HN 0.448 nan 8.300 nan 0.000 0.474 399 T N 3.337 117.396 114.554 -0.825 0.000 2.883 399 T HA 0.720 5.071 4.350 0.001 0.000 0.301 399 T C -1.225 172.873 174.700 -1.003 0.000 1.158 399 T CA -0.091 61.593 62.100 -0.692 0.000 1.007 399 T CB 1.236 69.935 68.868 -0.281 0.000 1.186 399 T HN 1.044 nan 8.240 nan 0.000 0.499 400 S N 1.557 116.930 115.700 -0.544 0.000 2.672 400 S HA 0.546 5.017 4.470 0.001 0.000 0.271 400 S C 0.253 174.731 174.600 -0.202 0.000 1.171 400 S CA -0.730 57.199 58.200 -0.451 0.000 0.817 400 S CB 0.289 63.358 63.200 -0.219 0.000 1.150 400 S HN 0.445 nan 8.310 nan 0.000 0.478 401 F N 0.461 120.369 119.950 -0.071 0.000 2.161 401 F HA 0.130 4.658 4.527 0.001 0.000 0.300 401 F C 1.774 177.623 175.800 0.082 0.000 1.089 401 F CA 1.398 59.372 58.000 -0.044 0.000 1.282 401 F CB -0.435 38.505 39.000 -0.100 0.000 1.010 401 F HN 0.382 nan 8.300 nan 0.000 0.485 402 L N -1.955 119.459 121.223 0.318 0.000 2.766 402 L HA 0.218 4.559 4.340 0.001 0.000 0.242 402 L C 0.515 177.572 176.870 0.311 0.000 1.136 402 L CA -0.011 55.021 54.840 0.320 0.000 0.933 402 L CB 0.245 42.446 42.059 0.236 0.000 1.241 402 L HN -0.100 nan 8.230 nan 0.000 0.522 403 S N 0.236 116.081 115.700 0.242 0.000 2.498 403 S HA 0.409 4.880 4.470 0.001 0.000 0.317 403 S C -1.998 172.407 174.600 -0.325 0.000 1.090 403 S CA -1.375 56.849 58.200 0.039 0.000 1.089 403 S CB 1.486 64.818 63.200 0.220 0.000 0.997 403 S HN -0.153 nan 8.310 nan 0.000 0.470 404 P HA 0.209 nan 4.420 nan 0.000 0.226 404 P C 0.469 177.516 177.300 -0.423 0.000 1.153 404 P CA 0.890 63.314 63.100 -1.126 0.000 0.777 404 P CB -0.181 31.030 31.700 -0.814 0.000 0.794 405 G N -0.609 108.077 108.800 -0.190 0.000 2.627 405 G HA2 0.084 4.045 3.960 0.001 0.000 0.680 405 G HA3 0.084 4.045 3.960 0.001 0.000 0.680 405 G C -1.384 173.505 174.900 -0.019 0.000 1.341 405 G CA -0.905 44.168 45.100 -0.045 0.000 0.835 405 G HN 0.034 nan 8.290 nan 0.000 0.643 406 I N 1.749 122.335 120.570 0.026 0.000 2.569 406 I HA 0.479 4.649 4.170 0.001 0.000 0.290 406 I C 0.028 176.012 176.117 -0.221 0.000 1.088 406 I CA -1.001 60.197 61.300 -0.170 0.000 1.047 406 I CB 2.265 40.071 38.000 -0.324 0.000 1.237 406 I HN 0.390 nan 8.210 nan 0.000 0.421 407 I N 5.667 126.102 120.570 -0.225 0.000 2.321 407 I HA 0.317 4.487 4.170 0.001 0.000 0.291 407 I C -0.809 175.154 176.117 -0.256 0.000 0.998 407 I CA -0.432 60.806 61.300 -0.103 0.000 1.227 407 I CB 0.765 38.827 38.000 0.103 0.000 1.368 407 I HN 0.385 nan 8.210 nan 0.000 0.466 408 Y N 4.644 124.823 120.300 -0.201 0.000 2.453 408 Y HA 0.461 5.011 4.550 0.001 0.000 0.326 408 Y C 0.204 175.920 175.900 -0.305 0.000 1.186 408 Y CA -0.488 57.402 58.100 -0.351 0.000 1.200 408 Y CB 1.131 39.094 38.460 -0.829 0.000 1.247 408 Y HN 0.471 nan 8.280 nan 0.000 0.482 409 H N 0.915 119.876 119.070 -0.181 0.000 2.717 409 H HA 0.547 5.103 4.556 0.001 0.000 0.366 409 H C -1.736 173.429 175.328 -0.272 0.000 1.132 409 H CA -0.745 55.024 56.048 -0.465 0.000 1.180 409 H CB 2.125 31.525 29.762 -0.603 0.000 1.678 409 H HN 0.810 nan 8.280 nan 0.000 0.537 410 C N 4.922 123.723 119.300 -0.832 0.000 2.446 410 C HA 0.173 4.633 4.460 0.001 0.000 0.329 410 C C -0.675 173.940 174.990 -0.626 0.000 1.166 410 C CA -0.676 58.023 59.018 -0.531 0.000 1.341 410 C CB 0.627 28.275 27.740 -0.154 0.000 1.970 410 C HN 0.889 nan 8.230 nan 0.000 0.452 411 D N 4.267 124.396 120.400 -0.452 0.000 2.352 411 D HA 0.212 4.853 4.640 0.001 0.000 0.245 411 D C 0.811 177.081 176.300 -0.051 0.000 1.224 411 D CA -0.003 53.863 54.000 -0.224 0.000 0.879 411 D CB 0.653 41.383 40.800 -0.116 0.000 1.057 411 D HN 0.672 nan 8.370 nan 0.000 0.491 412 L N 2.958 124.196 121.223 0.024 0.000 2.599 412 L HA 0.018 4.358 4.340 0.001 0.000 0.230 412 L C 2.090 179.078 176.870 0.197 0.000 1.141 412 L CA 0.493 55.434 54.840 0.168 0.000 0.877 412 L CB -0.298 41.937 42.059 0.293 0.000 1.009 412 L HN 0.456 nan 8.230 nan 0.000 0.447 413 T N -4.276 110.341 114.554 0.104 0.000 3.088 413 T HA 0.048 4.399 4.350 0.001 0.000 0.259 413 T C 0.921 175.664 174.700 0.071 0.000 1.122 413 T CA -0.016 62.133 62.100 0.082 0.000 1.095 413 T CB 0.029 68.928 68.868 0.053 0.000 0.930 413 T HN -0.061 nan 8.240 nan 0.000 0.508 414 K N 2.034 122.474 120.400 0.066 0.000 2.205 414 K HA 0.285 4.606 4.320 0.001 0.000 0.279 414 K C 1.011 177.644 176.600 0.056 0.000 1.027 414 K CA -0.447 55.867 56.287 0.046 0.000 0.932 414 K CB 1.351 33.865 32.500 0.024 0.000 1.032 414 K HN 0.066 nan 8.250 nan 0.000 0.466 415 E N 1.488 121.713 120.200 0.042 0.000 2.097 415 E HA -0.178 4.172 4.350 0.001 0.000 0.196 415 E C -0.209 176.405 176.600 0.023 0.000 1.000 415 E CA 1.518 57.941 56.400 0.039 0.000 0.804 415 E CB 0.376 30.090 29.700 0.023 0.000 0.740 415 E HN 0.406 nan 8.360 nan 0.000 0.454 416 E N 0.376 120.581 120.200 0.008 0.000 2.133 416 E HA 0.237 4.587 4.350 0.001 0.000 0.274 416 E C -0.265 176.329 176.600 -0.009 0.000 0.930 416 E CA -0.355 56.038 56.400 -0.012 0.000 0.770 416 E CB 1.220 30.910 29.700 -0.017 0.000 1.104 416 E HN 0.083 nan 8.360 nan 0.000 0.403 417 L N 3.881 125.088 121.223 -0.027 0.000 2.423 417 L HA 0.142 4.482 4.340 0.001 0.000 0.249 417 L C 0.729 177.612 176.870 0.021 0.000 1.276 417 L CA -0.255 54.583 54.840 -0.002 0.000 1.199 417 L CB -0.500 41.542 42.059 -0.029 0.000 1.407 417 L HN 0.279 nan 8.230 nan 0.000 0.410 418 E N 2.191 122.401 120.200 0.016 0.000 2.166 418 E HA 0.295 4.645 4.350 0.001 0.000 0.279 418 E C -2.451 174.179 176.600 0.050 0.000 1.095 418 E CA -1.997 54.420 56.400 0.029 0.000 0.888 418 E CB 0.362 30.069 29.700 0.011 0.000 1.041 418 E HN 0.182 nan 8.360 nan 0.000 0.414 419 P HA 0.223 nan 4.420 nan 0.000 0.277 419 P C -0.774 176.582 177.300 0.092 0.000 1.240 419 P CA -0.495 62.662 63.100 0.096 0.000 0.798 419 P CB 0.902 32.717 31.700 0.192 0.000 0.979 420 R N 0.226 120.795 120.500 0.115 0.000 2.725 420 R HA 0.453 4.794 4.340 0.001 0.000 0.277 420 R C -0.867 175.571 176.300 0.231 0.000 0.987 420 R CA -1.144 55.048 56.100 0.152 0.000 0.901 420 R CB 1.834 32.194 30.300 0.101 0.000 1.207 420 R HN 0.149 nan 8.270 nan 0.000 0.463 421 V N 3.804 123.819 119.914 0.168 0.000 2.458 421 V HA -0.066 4.054 4.120 0.001 0.000 0.287 421 V C 0.513 176.613 176.094 0.011 0.000 1.009 421 V CA 0.834 63.124 62.300 -0.016 0.000 1.091 421 V CB 0.071 31.840 31.823 -0.090 0.000 0.960 421 V HN 0.677 nan 8.190 nan 0.000 0.476 422 F N 5.297 125.148 119.950 -0.165 0.000 2.317 422 F HA 0.347 4.875 4.527 0.001 0.000 0.290 422 F C 1.187 176.843 175.800 -0.241 0.000 1.075 422 F CA 0.448 58.352 58.000 -0.160 0.000 1.380 422 F CB 0.336 39.289 39.000 -0.079 0.000 1.093 422 F HN 0.405 nan 8.300 nan 0.000 0.524 423 R N 0.604 120.974 120.500 -0.217 0.000 2.566 423 R HA 0.321 4.662 4.340 0.001 0.000 0.271 423 R C -1.804 174.350 176.300 -0.244 0.000 1.071 423 R CA -0.509 55.381 56.100 -0.349 0.000 0.915 423 R CB 1.520 31.569 30.300 -0.419 0.000 1.228 423 R HN 0.162 nan 8.270 nan 0.000 0.449 424 E N 3.394 123.454 120.200 -0.234 0.000 2.291 424 E HA 0.297 4.648 4.350 0.001 0.000 0.276 424 E C -1.597 174.926 176.600 -0.127 0.000 0.896 424 E CA -0.745 55.558 56.400 -0.162 0.000 0.774 424 E CB 2.189 31.797 29.700 -0.154 0.000 1.227 424 E HN 0.293 nan 8.360 nan 0.000 0.413 425 V N 3.327 123.199 119.914 -0.070 0.000 2.407 425 V HA 0.317 4.438 4.120 0.001 0.000 0.278 425 V C 0.300 176.370 176.094 -0.040 0.000 1.037 425 V CA -0.440 61.845 62.300 -0.026 0.000 0.900 425 V CB 1.417 33.279 31.823 0.065 0.000 0.983 425 V HN 0.812 nan 8.190 nan 0.000 0.459 426 T N 1.408 115.943 114.554 -0.032 0.000 3.145 426 T HA 0.430 4.781 4.350 0.001 0.000 0.362 426 T C -0.267 174.425 174.700 -0.013 0.000 1.340 426 T CA -0.453 61.629 62.100 -0.031 0.000 1.069 426 T CB -0.252 68.595 68.868 -0.036 0.000 1.129 426 T HN 0.542 nan 8.240 nan 0.000 0.585 427 c N 2.774 121.368 118.600 -0.010 0.000 2.399 427 c HA 0.543 5.113 4.570 0.001 0.000 0.348 427 c C 1.033 175.132 174.090 0.015 0.000 1.183 427 c CA -1.056 55.277 56.329 0.006 0.000 2.023 427 c CB 1.297 43.813 42.510 0.011 0.000 2.361 427 c HN 0.686 nan 8.230 nan 0.000 0.521 428 K N 1.812 122.227 120.400 0.025 0.000 3.006 428 K HA 0.167 4.487 4.320 0.001 0.000 0.265 428 K C 0.859 177.490 176.600 0.053 0.000 1.279 428 K CA -0.015 56.292 56.287 0.034 0.000 1.229 428 K CB -0.238 32.281 32.500 0.032 0.000 1.555 428 K HN 0.948 nan 8.250 nan 0.000 0.300 429 G N 0.962 109.799 108.800 0.061 0.000 2.467 429 G HA2 0.030 3.990 3.960 0.001 0.000 0.243 429 G HA3 0.030 3.990 3.960 0.001 0.000 0.243 429 G C 0.324 175.286 174.900 0.103 0.000 1.521 429 G CA -0.620 44.536 45.100 0.093 0.000 1.055 429 G HN 0.303 nan 8.290 nan 0.000 0.553 430 I N 0.998 121.644 120.570 0.126 0.000 2.556 430 I HA 0.046 4.216 4.170 0.001 0.000 0.284 430 I C -0.044 176.155 176.117 0.136 0.000 1.114 430 I CA -0.545 60.824 61.300 0.114 0.000 1.418 430 I CB 0.926 38.970 38.000 0.073 0.000 1.394 430 I HN 0.310 nan 8.210 nan 0.000 0.552 431 D N 5.484 125.958 120.400 0.123 0.000 2.346 431 D HA 0.240 4.880 4.640 0.001 0.000 0.260 431 D C 0.746 177.158 176.300 0.187 0.000 1.252 431 D CA -0.032 54.032 54.000 0.108 0.000 0.895 431 D CB 1.125 41.951 40.800 0.044 0.000 1.097 431 D HN 0.617 nan 8.370 nan 0.000 0.489 432 A N 3.046 125.981 122.820 0.192 0.000 2.218 432 A HA 0.001 4.321 4.320 0.001 0.000 0.209 432 A C 2.213 179.881 177.584 0.139 0.000 1.168 432 A CA 0.208 52.419 52.037 0.290 0.000 0.804 432 A CB -0.063 19.080 19.000 0.238 0.000 0.834 432 A HN 0.537 nan 8.150 nan 0.000 0.482 433 S N 1.061 116.776 115.700 0.025 0.000 2.380 433 S HA -0.208 4.263 4.470 0.001 0.000 0.229 433 S C 1.089 175.607 174.600 -0.136 0.000 1.043 433 S CA 2.008 60.184 58.200 -0.040 0.000 1.038 433 S CB -0.388 62.783 63.200 -0.049 0.000 0.872 433 S HN 0.828 nan 8.310 nan 0.000 0.456 434 D N -0.865 119.331 120.400 -0.340 0.000 2.328 434 D HA 0.132 4.773 4.640 0.001 0.000 0.226 434 D C -0.336 175.571 176.300 -0.655 0.000 1.066 434 D CA 0.265 53.954 54.000 -0.518 0.000 0.861 434 D CB -0.020 40.383 40.800 -0.662 0.000 0.912 434 D HN 0.380 nan 8.370 nan 0.000 0.521 435 Y N 0.852 121.129 120.300 -0.038 0.000 2.549 435 Y HA 0.483 5.033 4.550 0.001 0.000 0.339 435 Y C 0.283 176.136 175.900 -0.078 0.000 1.053 435 Y CA -1.430 56.629 58.100 -0.067 0.000 1.105 435 Y CB 1.353 39.782 38.460 -0.051 0.000 1.258 435 Y HN -0.181 nan 8.280 nan 0.000 0.478 436 Q N -0.826 118.976 119.800 0.004 0.000 2.456 436 Q HA 0.736 5.077 4.340 0.001 0.000 0.284 436 Q C -1.692 174.262 176.000 -0.077 0.000 1.061 436 Q CA -1.108 54.667 55.803 -0.046 0.000 0.799 436 Q CB 2.231 30.913 28.738 -0.093 0.000 1.445 436 Q HN 0.550 nan 8.270 nan 0.000 0.411 437 T N 1.648 116.222 114.554 0.033 0.000 2.770 437 T HA 0.544 4.895 4.350 0.001 0.000 0.283 437 T C -0.460 174.327 174.700 0.146 0.000 0.988 437 T CA -0.571 61.580 62.100 0.086 0.000 0.957 437 T CB 1.161 70.142 68.868 0.189 0.000 0.930 437 T HN 0.563 nan 8.240 nan 0.000 0.443 438 V N 2.045 122.059 119.914 0.166 0.000 2.715 438 V HA 0.697 4.818 4.120 0.001 0.000 0.310 438 V C -0.654 175.558 176.094 0.198 0.000 1.054 438 V CA -1.071 61.348 62.300 0.199 0.000 0.928 438 V CB 1.935 33.890 31.823 0.221 0.000 1.007 438 V HN 0.850 nan 8.190 nan 0.000 0.437 439 Q N 2.802 122.680 119.800 0.131 0.000 2.333 439 Q HA 0.694 5.035 4.340 0.001 0.000 0.265 439 Q C -1.026 174.876 176.000 -0.163 0.000 0.989 439 Q CA -0.755 54.983 55.803 -0.108 0.000 0.842 439 Q CB 1.737 30.365 28.738 -0.183 0.000 1.262 439 Q HN 0.950 nan 8.270 nan 0.000 0.451 440 I N -0.322 120.061 120.570 -0.310 0.000 3.023 440 I HA 0.676 4.847 4.170 0.001 0.000 0.312 440 I C -1.373 174.417 176.117 -0.544 0.000 1.056 440 I CA -0.807 60.363 61.300 -0.216 0.000 1.033 440 I CB 1.413 39.363 38.000 -0.084 0.000 1.233 440 I HN 0.391 nan 8.210 nan 0.000 0.462 441 F N 2.910 122.804 119.950 -0.094 0.000 2.499 441 F HA 0.563 5.091 4.527 0.001 0.000 0.333 441 F C -0.763 174.971 175.800 -0.111 0.000 1.138 441 F CA -0.508 57.413 58.000 -0.132 0.000 0.945 441 F CB 1.472 40.404 39.000 -0.113 0.000 1.181 441 F HN 0.522 nan 8.300 nan 0.000 0.435 442 Y N 2.189 122.444 120.300 -0.076 0.000 2.420 442 Y HA 0.854 5.404 4.550 0.001 0.000 0.334 442 Y C -3.068 172.866 175.900 0.056 0.000 1.094 442 Y CA -3.948 54.110 58.100 -0.070 0.000 1.126 442 Y CB 0.895 39.192 38.460 -0.271 0.000 1.217 442 Y HN 0.246 nan 8.280 nan 0.000 0.462 443 P HA 0.124 nan 4.420 nan 0.000 0.280 443 P C -0.291 177.116 177.300 0.179 0.000 1.244 443 P CA -0.164 63.003 63.100 0.111 0.000 0.784 443 P CB 1.831 33.607 31.700 0.127 0.000 0.913 444 S N 1.801 117.541 115.700 0.067 0.000 2.661 444 S HA 0.136 4.607 4.470 0.001 0.000 0.265 444 S C 1.545 176.194 174.600 0.082 0.000 1.225 444 S CA -0.539 57.727 58.200 0.110 0.000 0.986 444 S CB 0.280 63.497 63.200 0.028 0.000 1.008 444 S HN 0.471 nan 8.310 nan 0.000 0.565 445 K N 0.368 120.810 120.400 0.069 0.000 2.074 445 K HA -0.189 4.131 4.320 0.001 0.000 0.209 445 K C 0.861 177.473 176.600 0.021 0.000 1.048 445 K CA 2.236 58.550 56.287 0.045 0.000 0.926 445 K CB -0.414 32.107 32.500 0.036 0.000 0.713 445 K HN 0.742 nan 8.250 nan 0.000 0.444 446 D N -1.791 118.608 120.400 -0.001 0.000 2.319 446 D HA 0.072 4.712 4.640 0.001 0.000 0.230 446 D C 0.997 177.291 176.300 -0.010 0.000 1.094 446 D CA 0.701 54.693 54.000 -0.014 0.000 0.856 446 D CB 0.373 41.149 40.800 -0.040 0.000 0.915 446 D HN 0.442 nan 8.370 nan 0.000 0.517 447 G N -0.416 108.387 108.800 0.005 0.000 2.225 447 G HA2 -0.286 3.675 3.960 0.001 0.000 0.254 447 G HA3 -0.286 3.675 3.960 0.001 0.000 0.254 447 G C 0.508 175.406 174.900 -0.003 0.000 0.988 447 G CA 0.262 45.367 45.100 0.008 0.000 0.625 447 G HN 0.461 nan 8.290 nan 0.000 0.527 448 T N 3.282 117.825 114.554 -0.018 0.000 2.908 448 T HA 0.383 4.734 4.350 0.001 0.000 0.301 448 T C 0.449 175.136 174.700 -0.021 0.000 1.019 448 T CA 0.279 62.369 62.100 -0.016 0.000 1.152 448 T CB 0.943 69.787 68.868 -0.040 0.000 0.966 448 T HN 0.189 nan 8.240 nan 0.000 0.540 449 K N 3.807 124.204 120.400 -0.005 0.000 2.312 449 K HA 0.323 4.644 4.320 0.001 0.000 0.287 449 K C -0.117 176.497 176.600 0.023 0.000 1.062 449 K CA -0.406 55.866 56.287 -0.024 0.000 0.934 449 K CB 0.714 33.204 32.500 -0.017 0.000 1.027 449 K HN 0.444 nan 8.250 nan 0.000 0.478 450 I N 5.242 125.666 120.570 -0.243 0.000 2.378 450 I HA 0.292 4.463 4.170 0.001 0.000 0.291 450 I C -2.317 173.618 176.117 -0.302 0.000 0.992 450 I CA -3.104 58.051 61.300 -0.242 0.000 1.154 450 I CB 1.339 38.916 38.000 -0.704 0.000 1.315 450 I HN 0.140 nan 8.210 nan 0.000 0.448 451 P HA 0.338 nan 4.420 nan 0.000 0.271 451 P C -0.676 176.439 177.300 -0.308 0.000 1.216 451 P CA -0.337 62.459 63.100 -0.506 0.000 0.776 451 P CB 0.806 32.267 31.700 -0.399 0.000 0.881 452 M N 3.214 122.555 119.600 -0.431 0.000 2.271 452 M HA 0.461 4.941 4.480 0.001 0.000 0.285 452 M C -1.711 174.399 176.300 -0.317 0.000 1.059 452 M CA -0.660 54.515 55.300 -0.208 0.000 0.940 452 M CB 1.129 33.713 32.600 -0.026 0.000 1.636 452 M HN 0.000 nan 8.290 nan 0.000 0.460 453 F N 5.201 125.129 119.950 -0.037 0.000 2.396 453 F HA 0.560 5.087 4.527 0.001 0.000 0.343 453 F C -0.170 175.542 175.800 -0.146 0.000 1.104 453 F CA -0.158 57.806 58.000 -0.059 0.000 1.161 453 F CB 0.878 39.889 39.000 0.019 0.000 1.146 453 F HN 0.371 nan 8.300 nan 0.000 0.522 454 I N 3.737 124.347 120.570 0.066 0.000 2.466 454 I HA 0.407 4.577 4.170 0.001 0.000 0.289 454 I C -1.182 174.936 176.117 0.002 0.000 1.026 454 I CA -0.889 60.401 61.300 -0.016 0.000 1.078 454 I CB 1.914 39.866 38.000 -0.081 0.000 1.249 454 I HN 0.121 nan 8.210 nan 0.000 0.429 455 V N 5.913 125.785 119.914 -0.070 0.000 2.417 455 V HA 0.553 4.673 4.120 0.001 0.000 0.291 455 V C -0.698 175.428 176.094 0.053 0.000 1.024 455 V CA -0.449 61.797 62.300 -0.090 0.000 0.861 455 V CB 1.218 32.901 31.823 -0.232 0.000 0.985 455 V HN 0.955 nan 8.190 nan 0.000 0.436 456 H N 1.696 120.802 119.070 0.059 0.000 3.014 456 H HA 0.575 5.131 4.556 0.001 0.000 0.337 456 H C -0.753 174.712 175.328 0.229 0.000 1.320 456 H CA -1.158 54.948 56.048 0.097 0.000 1.128 456 H CB 1.242 31.068 29.762 0.107 0.000 1.862 456 H HN 0.449 nan 8.280 nan 0.000 0.536 457 K N 1.609 122.252 120.400 0.404 0.000 2.401 457 K HA 0.100 4.420 4.320 0.001 0.000 0.278 457 K C -0.523 176.205 176.600 0.213 0.000 1.018 457 K CA -0.400 56.065 56.287 0.297 0.000 0.981 457 K CB 0.454 33.067 32.500 0.187 0.000 0.933 457 K HN 0.608 nan 8.250 nan 0.000 0.477 458 K N 1.679 122.098 120.400 0.032 0.000 2.448 458 K HA 0.004 4.324 4.320 0.001 0.000 0.278 458 K C 0.743 177.385 176.600 0.070 0.000 1.009 458 K CA 0.923 57.243 56.287 0.054 0.000 0.995 458 K CB 0.380 32.865 32.500 -0.024 0.000 0.917 458 K HN 0.922 nan 8.250 nan 0.000 0.481 459 G N 2.565 111.427 108.800 0.103 0.000 2.179 459 G HA2 -0.280 3.680 3.960 0.001 0.000 0.257 459 G HA3 -0.280 3.680 3.960 0.001 0.000 0.257 459 G C 0.265 175.188 174.900 0.038 0.000 1.010 459 G CA 0.496 45.630 45.100 0.057 0.000 0.736 459 G HN 0.734 nan 8.290 nan 0.000 0.513 460 I N -2.204 118.390 120.570 0.039 0.000 2.813 460 I HA 0.484 4.655 4.170 0.001 0.000 0.287 460 I C 0.604 176.725 176.117 0.006 0.000 1.196 460 I CA -0.448 60.844 61.300 -0.013 0.000 1.421 460 I CB 0.460 38.341 38.000 -0.199 0.000 1.365 460 I HN -0.009 nan 8.210 nan 0.000 0.591 461 K N 5.752 126.206 120.400 0.089 0.000 2.322 461 K HA 0.330 4.651 4.320 0.001 0.000 0.283 461 K C -0.485 176.161 176.600 0.077 0.000 1.042 461 K CA -0.263 56.059 56.287 0.057 0.000 0.958 461 K CB 0.886 33.412 32.500 0.045 0.000 0.984 461 K HN 0.568 nan 8.250 nan 0.000 0.473 462 L N 4.596 125.779 121.223 -0.065 0.000 2.533 462 L HA 0.031 4.372 4.340 0.001 0.000 0.239 462 L C 0.247 177.046 176.870 -0.118 0.000 1.376 462 L CA -0.088 54.659 54.840 -0.156 0.000 1.240 462 L CB -0.590 41.278 42.059 -0.318 0.000 1.487 462 L HN 0.703 nan 8.230 nan 0.000 0.419 463 D N -0.972 119.374 120.400 -0.091 0.000 2.402 463 D HA 0.098 4.738 4.640 0.001 0.000 0.216 463 D C 1.327 177.551 176.300 -0.127 0.000 1.128 463 D CA 0.174 54.108 54.000 -0.109 0.000 0.833 463 D CB 0.585 41.323 40.800 -0.104 0.000 0.971 463 D HN 0.307 nan 8.370 nan 0.000 0.503 464 G N 0.723 109.453 108.800 -0.118 0.000 2.155 464 G HA2 -0.353 3.608 3.960 0.001 0.000 0.257 464 G HA3 -0.353 3.608 3.960 0.001 0.000 0.257 464 G C 1.007 175.829 174.900 -0.130 0.000 0.983 464 G CA 0.806 45.856 45.100 -0.083 0.000 0.676 464 G HN 0.703 nan 8.290 nan 0.000 0.528 465 S N -0.485 115.026 115.700 -0.315 0.000 2.575 465 S HA 0.238 4.708 4.470 0.001 0.000 0.215 465 S C 0.717 175.127 174.600 -0.316 0.000 0.966 465 S CA -0.053 57.953 58.200 -0.324 0.000 0.911 465 S CB 0.118 63.106 63.200 -0.353 0.000 0.780 465 S HN 0.598 nan 8.310 nan 0.000 0.514 466 H N 2.531 121.627 119.070 0.042 0.000 2.467 466 H HA 0.454 5.010 4.556 0.001 0.000 0.331 466 H C -2.926 172.468 175.328 0.110 0.000 1.120 466 H CA -2.343 53.740 56.048 0.059 0.000 1.270 466 H CB 0.480 30.281 29.762 0.065 0.000 1.466 466 H HN 0.167 nan 8.280 nan 0.000 0.504 467 P HA 0.212 nan 4.420 nan 0.000 0.271 467 P C -0.845 176.733 177.300 0.465 0.000 1.216 467 P CA -0.126 63.168 63.100 0.325 0.000 0.776 467 P CB 0.753 32.635 31.700 0.304 0.000 0.881 468 A N 2.849 125.979 122.820 0.516 0.000 2.435 468 A HA 0.712 5.032 4.320 0.001 0.000 0.304 468 A C -1.750 176.105 177.584 0.450 0.000 1.064 468 A CA -0.512 51.824 52.037 0.499 0.000 0.727 468 A CB 0.926 20.105 19.000 0.298 0.000 1.284 468 A HN 0.462 nan 8.150 nan 0.000 0.415 469 F N 2.589 122.658 119.950 0.199 0.000 2.434 469 F HA 0.594 5.122 4.527 0.001 0.000 0.355 469 F C -1.028 174.820 175.800 0.080 0.000 1.115 469 F CA -0.866 57.120 58.000 -0.022 0.000 1.010 469 F CB 1.471 40.261 39.000 -0.349 0.000 1.234 469 F HN 0.485 nan 8.300 nan 0.000 0.439 470 L N 8.300 129.430 121.223 -0.155 0.000 2.280 470 L HA 0.457 4.797 4.340 0.001 0.000 0.287 470 L C -1.959 174.929 176.870 0.030 0.000 1.023 470 L CA -0.638 54.176 54.840 -0.043 0.000 0.819 470 L CB 0.763 42.731 42.059 -0.151 0.000 1.212 470 L HN 0.595 nan 8.230 nan 0.000 0.420 471 Y N 4.295 124.659 120.300 0.106 0.000 2.377 471 Y HA 0.811 5.362 4.550 0.001 0.000 0.339 471 Y C 0.104 176.213 175.900 0.349 0.000 1.011 471 Y CA -0.135 58.068 58.100 0.172 0.000 1.093 471 Y CB 1.834 40.422 38.460 0.213 0.000 1.201 471 Y HN 0.741 nan 8.280 nan 0.000 0.455 472 G N 3.618 112.108 108.800 -0.517 0.000 2.690 472 G HA2 0.317 4.278 3.960 0.001 0.000 0.291 472 G HA3 0.317 4.278 3.960 0.001 0.000 0.291 472 G C -1.909 172.600 174.900 -0.652 0.000 1.403 472 G CA -0.458 44.373 45.100 -0.448 0.000 0.864 472 G HN 0.666 nan 8.290 nan 0.000 0.480 473 Y N 0.297 120.357 120.300 -0.401 0.000 3.183 473 Y HA 0.460 5.011 4.550 0.001 0.000 0.200 473 Y C 1.565 177.341 175.900 -0.208 0.000 0.912 473 Y CA 1.483 59.415 58.100 -0.280 0.000 1.642 473 Y CB 0.528 38.933 38.460 -0.092 0.000 1.447 473 Y HN 1.577 nan 8.280 nan 0.000 0.421 474 G N 1.001 109.764 108.800 -0.061 0.000 2.545 474 G HA2 0.318 4.279 3.960 0.001 0.000 0.279 474 G HA3 0.318 4.279 3.960 0.001 0.000 0.279 474 G C -0.006 174.730 174.900 -0.273 0.000 1.131 474 G CA 0.421 45.419 45.100 -0.170 0.000 1.100 474 G HN 1.306 nan 8.290 nan 0.000 0.525 475 G N -1.586 107.164 108.800 -0.083 0.000 2.356 475 G HA2 0.638 4.599 3.960 0.001 0.000 0.294 475 G HA3 0.638 4.599 3.960 0.001 0.000 0.294 475 G C 0.032 175.031 174.900 0.164 0.000 1.423 475 G CA 0.190 45.212 45.100 -0.129 0.000 0.806 475 G HN 1.382 nan 8.290 nan 0.000 0.527 476 F N -0.362 119.555 119.950 -0.055 0.000 3.100 476 F HA -0.249 4.278 4.527 0.001 0.000 0.284 476 F C 1.323 176.937 175.800 -0.310 0.000 0.875 476 F CA 1.235 59.139 58.000 -0.159 0.000 1.039 476 F CB -1.459 37.499 39.000 -0.070 0.000 1.111 476 F HN 0.967 nan 8.300 nan 0.000 0.575 477 N N -0.523 117.951 118.700 -0.377 0.000 2.741 477 N HA -0.205 4.535 4.740 0.001 0.000 0.251 477 N C -0.459 175.041 175.510 -0.016 0.000 1.112 477 N CA 1.013 53.901 53.050 -0.269 0.000 0.750 477 N CB -0.622 37.617 38.487 -0.414 0.000 1.119 477 N HN 0.382 nan 8.380 nan 0.000 0.561 478 I N 0.712 121.341 120.570 0.098 0.000 2.371 478 I HA 0.167 4.337 4.170 0.001 0.000 0.290 478 I C 0.563 176.739 176.117 0.099 0.000 1.028 478 I CA -0.110 61.231 61.300 0.069 0.000 1.345 478 I CB 1.148 39.150 38.000 0.004 0.000 1.407 478 I HN 0.043 nan 8.210 nan 0.000 0.501 479 S N 6.778 122.506 115.700 0.046 0.000 2.480 479 S HA 0.491 4.962 4.470 0.001 0.000 0.286 479 S C 0.129 174.772 174.600 0.072 0.000 1.180 479 S CA -0.560 57.676 58.200 0.061 0.000 1.075 479 S CB 1.217 64.418 63.200 0.002 0.000 0.996 479 S HN 0.262 nan 8.310 nan 0.000 0.487 480 I N 4.612 125.268 120.570 0.142 0.000 2.282 480 I HA 0.206 4.377 4.170 0.001 0.000 0.290 480 I C 1.007 177.248 176.117 0.207 0.000 1.090 480 I CA -0.265 61.147 61.300 0.187 0.000 1.231 480 I CB -0.629 37.561 38.000 0.317 0.000 1.434 480 I HN 0.596 nan 8.210 nan 0.000 0.487 481 T N 4.175 118.781 114.554 0.086 0.000 2.952 481 T HA 0.639 4.990 4.350 0.001 0.000 0.286 481 T C -2.690 171.858 174.700 -0.252 0.000 1.024 481 T CA -2.220 59.890 62.100 0.016 0.000 1.029 481 T CB 1.630 70.484 68.868 -0.024 0.000 1.094 481 T HN 0.151 nan 8.240 nan 0.000 0.515 482 P HA 0.343 nan 4.420 nan 0.000 0.266 482 P C -0.831 175.928 177.300 -0.902 0.000 1.195 482 P CA 0.041 62.301 63.100 -1.400 0.000 0.768 482 P CB 0.182 31.085 31.700 -1.329 0.000 0.838 483 N N 1.246 119.379 118.700 -0.945 0.000 2.431 483 N HA 0.200 4.940 4.740 0.001 0.000 0.275 483 N C -1.973 173.408 175.510 -0.216 0.000 1.091 483 N CA -0.641 52.166 53.050 -0.405 0.000 0.922 483 N CB 0.688 39.027 38.487 -0.246 0.000 1.666 483 N HN 0.195 nan 8.380 nan 0.000 0.484 484 Y N 2.461 122.636 120.300 -0.207 0.000 2.436 484 Y HA 0.405 4.956 4.550 0.001 0.000 0.336 484 Y C -0.178 175.691 175.900 -0.051 0.000 1.049 484 Y CA 0.404 58.445 58.100 -0.099 0.000 1.294 484 Y CB 0.580 38.984 38.460 -0.093 0.000 1.179 484 Y HN 0.401 nan 8.280 nan 0.000 0.520 485 S N 5.490 120.925 115.700 -0.442 0.000 2.707 485 S HA 0.329 4.799 4.470 0.001 0.000 0.312 485 S C 0.318 174.643 174.600 -0.459 0.000 1.116 485 S CA -0.774 57.247 58.200 -0.298 0.000 1.078 485 S CB 0.767 63.892 63.200 -0.124 0.000 0.997 485 S HN 0.633 nan 8.310 nan 0.000 0.477 486 V N 5.027 124.752 119.914 -0.314 0.000 2.343 486 V HA -0.156 3.964 4.120 0.001 0.000 0.247 486 V C 2.736 178.768 176.094 -0.103 0.000 1.051 486 V CA 2.555 64.750 62.300 -0.174 0.000 1.036 486 V CB -1.000 30.884 31.823 0.102 0.000 0.654 486 V HN 0.993 nan 8.190 nan 0.000 0.451 487 S N 0.653 116.352 115.700 -0.001 0.000 2.368 487 S HA -0.253 4.218 4.470 0.001 0.000 0.225 487 S C 2.048 176.516 174.600 -0.220 0.000 1.030 487 S CA 1.492 59.697 58.200 0.009 0.000 0.999 487 S CB -0.506 62.820 63.200 0.209 0.000 0.844 487 S HN 0.594 nan 8.310 nan 0.000 0.459 488 R N 0.766 121.154 120.500 -0.187 0.000 2.115 488 R HA 0.247 4.587 4.340 0.001 0.000 0.226 488 R C 2.331 178.524 176.300 -0.177 0.000 1.100 488 R CA 1.105 57.076 56.100 -0.216 0.000 0.980 488 R CB -0.515 29.703 30.300 -0.137 0.000 0.875 488 R HN 0.401 nan 8.270 nan 0.000 0.445 489 L N 0.331 121.415 121.223 -0.232 0.000 2.156 489 L HA -0.107 4.233 4.340 0.001 0.000 0.208 489 L C 2.185 178.905 176.870 -0.250 0.000 1.095 489 L CA 0.985 55.664 54.840 -0.269 0.000 0.770 489 L CB -0.260 41.624 42.059 -0.291 0.000 0.914 489 L HN 0.177 nan 8.230 nan 0.000 0.439 490 I N -0.803 119.640 120.570 -0.211 0.000 2.226 490 I HA -0.345 3.825 4.170 0.001 0.000 0.245 490 I C 2.476 178.495 176.117 -0.164 0.000 1.100 490 I CA 1.414 62.608 61.300 -0.176 0.000 1.374 490 I CB -0.334 37.446 38.000 -0.368 0.000 1.057 490 I HN 0.155 nan 8.210 nan 0.000 0.413 491 F N 1.402 121.143 119.950 -0.347 0.000 2.095 491 F HA -0.225 4.302 4.527 0.001 0.000 0.298 491 F C 2.325 178.022 175.800 -0.172 0.000 1.104 491 F CA 1.687 59.535 58.000 -0.254 0.000 1.232 491 F CB -0.466 38.339 39.000 -0.326 0.000 0.987 491 F HN -0.220 nan 8.300 nan 0.000 0.475 492 V N 0.668 120.421 119.914 -0.268 0.000 2.261 492 V HA -0.284 3.837 4.120 0.001 0.000 0.246 492 V C 2.504 178.342 176.094 -0.427 0.000 1.047 492 V CA 2.343 64.410 62.300 -0.388 0.000 1.015 492 V CB -0.769 30.796 31.823 -0.430 0.000 0.642 492 V HN 0.295 nan 8.190 nan 0.000 0.446 493 R N -0.557 119.672 120.500 -0.452 0.000 2.062 493 R HA -0.049 4.291 4.340 0.001 0.000 0.226 493 R C 2.106 178.026 176.300 -0.634 0.000 1.125 493 R CA 1.675 57.493 56.100 -0.470 0.000 0.966 493 R CB -0.460 29.529 30.300 -0.520 0.000 0.861 493 R HN 0.613 nan 8.270 nan 0.000 0.433 494 H N -1.229 117.543 119.070 -0.497 0.000 2.622 494 H HA 0.275 4.831 4.556 0.001 0.000 0.269 494 H C 0.757 175.671 175.328 -0.691 0.000 0.977 494 H CA 0.641 56.187 56.048 -0.837 0.000 1.179 494 H CB 0.600 29.443 29.762 -1.533 0.000 1.458 494 H HN 0.232 nan 8.280 nan 0.000 0.531 495 M N -0.943 118.433 119.600 -0.373 0.000 2.347 495 M HA 0.240 4.720 4.480 0.001 0.000 0.324 495 M C 0.969 177.059 176.300 -0.351 0.000 1.028 495 M CA 0.124 55.259 55.300 -0.275 0.000 0.988 495 M CB 1.556 34.074 32.600 -0.137 0.000 1.528 495 M HN 0.202 nan 8.290 nan 0.000 0.550 496 G N 1.365 109.956 108.800 -0.347 0.000 2.225 496 G HA2 -0.201 3.759 3.960 0.001 0.000 0.267 496 G HA3 -0.201 3.759 3.960 0.001 0.000 0.267 496 G C 0.240 174.974 174.900 -0.277 0.000 1.024 496 G CA 0.065 45.027 45.100 -0.230 0.000 0.784 496 G HN 0.612 nan 8.290 nan 0.000 0.507 497 G N -1.811 106.626 108.800 -0.604 0.000 2.502 497 G HA2 0.673 4.633 3.960 0.001 0.000 0.305 497 G HA3 0.673 4.633 3.960 0.001 0.000 0.305 497 G C -0.328 174.510 174.900 -0.104 0.000 1.190 497 G CA -0.149 44.577 45.100 -0.623 0.000 0.933 497 G HN 0.890 nan 8.290 nan 0.000 0.503 498 V N 0.730 120.776 119.914 0.219 0.000 2.495 498 V HA 0.410 4.530 4.120 0.001 0.000 0.298 498 V C -0.377 175.939 176.094 0.371 0.000 1.031 498 V CA -0.689 61.760 62.300 0.248 0.000 0.871 498 V CB 1.391 33.352 31.823 0.231 0.000 0.988 498 V HN 0.660 nan 8.190 nan 0.000 0.432 499 L N 4.935 126.299 121.223 0.234 0.000 2.309 499 L HA 0.936 5.276 4.340 0.001 0.000 0.282 499 L C -0.008 176.911 176.870 0.082 0.000 1.036 499 L CA 0.019 54.984 54.840 0.209 0.000 0.806 499 L CB 1.295 43.406 42.059 0.085 0.000 1.220 499 L HN 0.779 nan 8.230 nan 0.000 0.429 500 A N 4.529 127.426 122.820 0.127 0.000 2.422 500 A HA 0.796 5.117 4.320 0.001 0.000 0.302 500 A C -1.658 176.028 177.584 0.170 0.000 1.041 500 A CA -0.543 51.533 52.037 0.066 0.000 0.708 500 A CB 1.803 20.810 19.000 0.011 0.000 1.257 500 A HN 0.525 nan 8.150 nan 0.000 0.414 501 V N 1.640 121.674 119.914 0.199 0.000 2.443 501 V HA 0.669 4.789 4.120 0.001 0.000 0.293 501 V C 0.311 176.596 176.094 0.317 0.000 1.021 501 V CA -0.308 62.212 62.300 0.366 0.000 0.848 501 V CB 1.420 33.542 31.823 0.500 0.000 0.998 501 V HN 1.303 nan 8.190 nan 0.000 0.424 502 A N 3.508 126.532 122.820 0.339 0.000 2.260 502 A HA 0.569 4.889 4.320 0.001 0.000 0.314 502 A C 0.179 177.965 177.584 0.338 0.000 1.257 502 A CA -0.542 51.691 52.037 0.328 0.000 0.871 502 A CB -0.002 19.222 19.000 0.374 0.000 1.166 502 A HN 0.890 nan 8.150 nan 0.000 0.522 503 N N 2.425 121.290 118.700 0.276 0.000 3.259 503 N HA 0.234 4.974 4.740 0.001 0.000 0.308 503 N C 0.347 176.141 175.510 0.474 0.000 1.334 503 N CA -0.207 53.025 53.050 0.302 0.000 1.202 503 N CB -0.135 38.441 38.487 0.148 0.000 1.485 503 N HN 0.802 nan 8.380 nan 0.000 0.549 504 I N -2.402 118.386 120.570 0.362 0.000 2.993 504 I HA 0.120 4.291 4.170 0.001 0.000 0.286 504 I C 0.594 176.738 176.117 0.046 0.000 1.215 504 I CA -0.681 60.751 61.300 0.220 0.000 1.393 504 I CB 0.736 38.811 38.000 0.126 0.000 1.371 504 I HN 0.095 nan 8.210 nan 0.000 0.602 505 R N 2.175 122.402 120.500 -0.455 0.000 2.827 505 R HA 0.281 4.621 4.340 0.001 0.000 0.269 505 R C 1.193 177.211 176.300 -0.470 0.000 1.048 505 R CA 1.024 56.562 56.100 -0.938 0.000 1.173 505 R CB 0.084 29.766 30.300 -1.030 0.000 1.070 505 R HN 1.081 nan 8.270 nan 0.000 0.498 506 G N -0.114 108.458 108.800 -0.381 0.000 2.317 506 G HA2 -0.245 3.716 3.960 0.001 0.000 0.227 506 G HA3 -0.245 3.716 3.960 0.001 0.000 0.227 506 G C 0.523 175.473 174.900 0.083 0.000 1.042 506 G CA -0.197 44.807 45.100 -0.160 0.000 0.623 506 G HN 0.894 nan 8.290 nan 0.000 0.509 507 G N -0.314 108.585 108.800 0.166 0.000 2.621 507 G HA2 0.554 4.515 3.960 0.001 0.000 0.271 507 G HA3 0.554 4.515 3.960 0.001 0.000 0.271 507 G C 1.064 176.199 174.900 0.393 0.000 1.236 507 G CA 0.291 45.576 45.100 0.308 0.000 0.958 507 G HN 1.330 nan 8.290 nan 0.000 0.512 508 G N -1.406 107.541 108.800 0.245 0.000 3.233 508 G HA2 0.229 4.189 3.960 0.001 0.000 0.234 508 G HA3 0.229 4.189 3.960 0.001 0.000 0.234 508 G C 1.022 175.957 174.900 0.057 0.000 1.137 508 G CA 0.155 45.360 45.100 0.176 0.000 0.763 508 G HN 0.546 nan 8.290 nan 0.000 0.549 509 E N 0.095 120.257 120.200 -0.063 0.000 2.118 509 E HA -0.117 4.233 4.350 0.001 0.000 0.195 509 E C 0.339 176.412 176.600 -0.878 0.000 0.992 509 E CA 1.048 57.145 56.400 -0.504 0.000 0.804 509 E CB -0.157 29.140 29.700 -0.673 0.000 0.741 509 E HN 0.595 nan 8.360 nan 0.000 0.458 510 Y N -0.353 119.713 120.300 -0.390 0.000 2.736 510 Y HA 0.427 4.978 4.550 0.001 0.000 0.293 510 Y C 0.886 176.849 175.900 0.104 0.000 1.062 510 Y CA -0.050 57.926 58.100 -0.206 0.000 1.247 510 Y CB 0.616 38.816 38.460 -0.433 0.000 1.200 510 Y HN 0.097 nan 8.280 nan 0.000 0.552 511 G N 0.584 109.515 108.800 0.218 0.000 2.642 511 G HA2 -0.372 3.588 3.960 0.001 0.000 0.231 511 G HA3 -0.372 3.588 3.960 0.001 0.000 0.231 511 G C 0.716 175.815 174.900 0.332 0.000 1.338 511 G CA 0.261 45.540 45.100 0.300 0.000 0.883 511 G HN 0.301 nan 8.290 nan 0.000 0.570 512 E N -0.384 119.976 120.200 0.268 0.000 2.153 512 E HA -0.084 4.267 4.350 0.001 0.000 0.194 512 E C 2.795 179.508 176.600 0.187 0.000 0.988 512 E CA 2.853 59.389 56.400 0.227 0.000 0.811 512 E CB -0.535 29.221 29.700 0.095 0.000 0.746 512 E HN 0.968 nan 8.360 nan 0.000 0.466 513 T N -2.501 112.161 114.554 0.180 0.000 2.867 513 T HA -0.154 4.196 4.350 0.001 0.000 0.268 513 T C 1.854 176.676 174.700 0.203 0.000 1.057 513 T CA 0.888 63.073 62.100 0.142 0.000 1.136 513 T CB -0.858 68.090 68.868 0.134 0.000 0.874 513 T HN 0.396 nan 8.240 nan 0.000 0.466 514 W N 1.788 123.146 121.300 0.097 0.000 2.358 514 W HA -0.189 4.471 4.660 0.001 0.000 0.303 514 W C 2.377 178.939 176.519 0.073 0.000 1.208 514 W CA 1.542 58.949 57.345 0.103 0.000 1.274 514 W CB -0.463 29.106 29.460 0.182 0.000 1.138 514 W HN 0.517 nan 8.180 nan 0.000 0.515 515 H N 0.633 119.786 119.070 0.137 0.000 2.293 515 H HA -0.170 4.386 4.556 0.001 0.000 0.300 515 H C 2.136 177.379 175.328 -0.142 0.000 1.082 515 H CA 1.973 58.011 56.048 -0.017 0.000 1.308 515 H CB -0.151 29.632 29.762 0.034 0.000 1.375 515 H HN 0.044 nan 8.280 nan 0.000 0.495 516 K N -0.111 120.113 120.400 -0.292 0.000 2.211 516 K HA -0.084 4.236 4.320 0.001 0.000 0.204 516 K C 2.202 178.604 176.600 -0.330 0.000 1.047 516 K CA 0.815 56.881 56.287 -0.368 0.000 0.935 516 K CB -0.130 32.239 32.500 -0.218 0.000 0.728 516 K HN 0.393 nan 8.250 nan 0.000 0.452 517 G N 0.228 108.852 108.800 -0.293 0.000 2.625 517 G HA2 -0.103 3.857 3.960 0.001 0.000 0.214 517 G HA3 -0.103 3.857 3.960 0.001 0.000 0.214 517 G C 0.806 175.447 174.900 -0.432 0.000 1.132 517 G CA 0.665 45.553 45.100 -0.353 0.000 0.782 517 G HN 0.386 nan 8.290 nan 0.000 0.538 518 G N 0.115 108.650 108.800 -0.443 0.000 4.683 518 G HA2 0.506 4.466 3.960 0.001 0.000 0.273 518 G HA3 0.506 4.466 3.960 0.001 0.000 0.273 518 G C -0.101 174.511 174.900 -0.481 0.000 1.065 518 G CA -0.255 44.562 45.100 -0.473 0.000 0.837 518 G HN 0.517 nan 8.290 nan 0.000 0.526 519 I N -3.372 116.907 120.570 -0.485 0.000 3.074 519 I HA 0.744 4.915 4.170 0.001 0.000 0.310 519 I C 0.663 176.487 176.117 -0.488 0.000 1.153 519 I CA -1.277 59.737 61.300 -0.476 0.000 0.993 519 I CB 1.605 39.283 38.000 -0.535 0.000 1.237 519 I HN 0.084 nan 8.210 nan 0.000 0.443 520 L N 0.878 121.844 121.223 -0.428 0.000 6.412 520 L HA -0.380 3.960 4.340 0.001 0.000 0.053 520 L C 1.928 178.018 176.870 -1.298 0.000 2.199 520 L CA 1.202 55.615 54.840 -0.712 0.000 1.611 520 L CB -1.832 39.848 42.059 -0.632 0.000 2.801 520 L HN 0.976 nan 8.230 nan 0.000 1.044 521 A N -0.359 121.312 122.820 -1.915 0.000 2.024 521 A HA -0.127 4.193 4.320 0.001 0.000 0.220 521 A C 1.434 178.546 177.584 -0.786 0.000 1.164 521 A CA 2.256 53.270 52.037 -1.705 0.000 0.643 521 A CB -0.606 17.767 19.000 -1.044 0.000 0.806 521 A HN 0.686 nan 8.150 nan 0.000 0.451 522 N N -0.764 117.569 118.700 -0.613 0.000 2.314 522 N HA 0.010 4.750 4.740 0.001 0.000 0.200 522 N C 1.159 176.392 175.510 -0.462 0.000 1.135 522 N CA 0.505 53.289 53.050 -0.443 0.000 0.835 522 N CB 0.385 38.640 38.487 -0.386 0.000 0.989 522 N HN 0.470 nan 8.380 nan 0.000 0.478 523 K N 1.491 121.587 120.400 -0.507 0.000 2.103 523 K HA -0.167 4.154 4.320 0.001 0.000 0.207 523 K C 1.890 178.031 176.600 -0.765 0.000 1.048 523 K CA 1.154 57.064 56.287 -0.628 0.000 0.930 523 K CB -0.041 32.102 32.500 -0.595 0.000 0.716 523 K HN -0.071 nan 8.250 nan 0.000 0.444 524 Q N 0.801 120.335 119.800 -0.444 0.000 2.248 524 Q HA -0.147 4.194 4.340 0.001 0.000 0.208 524 Q C 1.320 177.167 176.000 -0.254 0.000 0.984 524 Q CA 1.738 57.426 55.803 -0.193 0.000 0.875 524 Q CB -0.397 28.327 28.738 -0.023 0.000 0.910 524 Q HN 0.391 nan 8.270 nan 0.000 0.433 525 N N -0.731 117.769 118.700 -0.333 0.000 2.104 525 N HA -0.165 4.575 4.740 0.001 0.000 0.190 525 N C 1.647 176.960 175.510 -0.329 0.000 1.024 525 N CA 1.564 54.437 53.050 -0.295 0.000 0.853 525 N CB -0.798 37.488 38.487 -0.335 0.000 1.008 525 N HN 0.368 nan 8.380 nan 0.000 0.424 526 C N 0.357 119.334 119.300 -0.538 0.000 2.413 526 C HA -0.097 4.363 4.460 0.001 0.000 0.276 526 C C 2.489 177.275 174.990 -0.341 0.000 1.236 526 C CA 0.299 58.991 59.018 -0.544 0.000 1.735 526 C CB -1.581 25.642 27.740 -0.863 0.000 2.031 526 C HN 0.295 nan 8.230 nan 0.000 0.474 527 F N 1.646 121.515 119.950 -0.134 0.000 2.146 527 F HA -0.068 4.459 4.527 0.001 0.000 0.298 527 F C 2.164 177.997 175.800 0.055 0.000 1.096 527 F CA 1.330 59.307 58.000 -0.039 0.000 1.275 527 F CB -1.303 37.644 39.000 -0.088 0.000 1.008 527 F HN 0.192 nan 8.300 nan 0.000 0.480 528 D N 0.459 120.947 120.400 0.146 0.000 2.104 528 D HA -0.165 4.476 4.640 0.001 0.000 0.194 528 D C 1.825 178.214 176.300 0.149 0.000 0.994 528 D CA 1.585 55.656 54.000 0.118 0.000 0.830 528 D CB -0.602 40.224 40.800 0.044 0.000 0.959 528 D HN 0.180 nan 8.370 nan 0.000 0.452 529 D N -0.337 120.133 120.400 0.117 0.000 2.133 529 D HA -0.163 4.477 4.640 0.001 0.000 0.195 529 D C 1.824 178.338 176.300 0.357 0.000 0.997 529 D CA 0.573 54.703 54.000 0.216 0.000 0.840 529 D CB -0.444 40.419 40.800 0.104 0.000 0.947 529 D HN 0.172 nan 8.370 nan 0.000 0.452 530 F N 1.255 121.280 119.950 0.125 0.000 2.163 530 F HA -0.081 4.446 4.527 0.001 0.000 0.297 530 F C 2.390 178.271 175.800 0.136 0.000 1.094 530 F CA 1.171 59.239 58.000 0.115 0.000 1.290 530 F CB -0.206 38.834 39.000 0.066 0.000 1.017 530 F HN -0.092 nan 8.300 nan 0.000 0.483 531 Q N -1.081 118.864 119.800 0.243 0.000 2.124 531 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 531 Q C 2.404 178.415 176.000 0.018 0.000 0.977 531 Q CA 1.869 57.762 55.803 0.150 0.000 0.850 531 Q CB -0.667 28.177 28.738 0.177 0.000 0.901 531 Q HN 0.412 nan 8.270 nan 0.000 0.429 532 C N 0.220 119.562 119.300 0.070 0.000 2.432 532 C HA -0.056 4.404 4.460 0.001 0.000 0.280 532 C C 2.803 177.649 174.990 -0.241 0.000 1.353 532 C CA 0.584 59.634 59.018 0.053 0.000 1.766 532 C CB -1.135 26.763 27.740 0.263 0.000 1.924 532 C HN 0.622 nan 8.230 nan 0.000 0.509 533 A N 0.699 123.243 122.820 -0.459 0.000 1.873 533 A HA 0.086 4.407 4.320 0.001 0.000 0.215 533 A C 2.397 179.733 177.584 -0.413 0.000 1.186 533 A CA 1.974 53.497 52.037 -0.856 0.000 0.616 533 A CB -0.999 17.651 19.000 -0.583 0.000 0.823 533 A HN 0.536 nan 8.150 nan 0.000 0.442 534 A N 0.017 122.657 122.820 -0.300 0.000 1.873 534 A HA -0.251 4.070 4.320 0.001 0.000 0.218 534 A C 1.909 179.419 177.584 -0.122 0.000 1.193 534 A CA 1.850 53.787 52.037 -0.166 0.000 0.629 534 A CB -0.734 18.213 19.000 -0.088 0.000 0.826 534 A HN 0.642 nan 8.150 nan 0.000 0.447 535 E N -1.907 118.221 120.200 -0.119 0.000 2.160 535 E HA -0.236 4.115 4.350 0.001 0.000 0.195 535 E C 1.844 178.425 176.600 -0.031 0.000 0.991 535 E CA 1.507 57.862 56.400 -0.074 0.000 0.810 535 E CB -0.304 29.369 29.700 -0.045 0.000 0.742 535 E HN 0.828 nan 8.360 nan 0.000 0.466 536 Y N 1.363 121.562 120.300 -0.167 0.000 2.163 536 Y HA -0.180 4.371 4.550 0.001 0.000 0.288 536 Y C 1.990 177.879 175.900 -0.019 0.000 1.136 536 Y CA 1.339 59.374 58.100 -0.109 0.000 1.147 536 Y CB -0.174 38.148 38.460 -0.230 0.000 0.987 536 Y HN -0.078 nan 8.280 nan 0.000 0.509 537 L N -0.386 120.905 121.223 0.113 0.000 2.079 537 L HA -0.244 4.097 4.340 0.001 0.000 0.210 537 L C 2.359 179.291 176.870 0.103 0.000 1.081 537 L CA 1.515 56.444 54.840 0.148 0.000 0.752 537 L CB -0.571 41.535 42.059 0.079 0.000 0.896 537 L HN 0.293 nan 8.230 nan 0.000 0.433 538 I N -0.201 120.374 120.570 0.008 0.000 2.193 538 I HA -0.280 3.890 4.170 0.001 0.000 0.240 538 I C 2.707 178.787 176.117 -0.062 0.000 1.084 538 I CA 1.270 62.557 61.300 -0.021 0.000 1.365 538 I CB -0.278 37.692 38.000 -0.050 0.000 1.064 538 I HN 0.200 nan 8.210 nan 0.000 0.410 539 K N 0.838 121.180 120.400 -0.098 0.000 2.147 539 K HA -0.190 4.131 4.320 0.001 0.000 0.205 539 K C 1.617 178.113 176.600 -0.174 0.000 1.049 539 K CA 1.381 57.594 56.287 -0.124 0.000 0.936 539 K CB 0.109 32.539 32.500 -0.117 0.000 0.722 539 K HN 0.198 nan 8.250 nan 0.000 0.446 540 E N -0.617 119.435 120.200 -0.248 0.000 2.489 540 E HA 0.025 4.375 4.350 0.001 0.000 0.193 540 E C 0.872 177.307 176.600 -0.276 0.000 1.057 540 E CA 0.775 57.004 56.400 -0.284 0.000 0.866 540 E CB 0.652 30.118 29.700 -0.390 0.000 0.916 540 E HN 0.594 nan 8.360 nan 0.000 0.500 541 G N 1.006 109.703 108.800 -0.172 0.000 2.136 541 G HA2 -0.337 3.624 3.960 0.001 0.000 0.242 541 G HA3 -0.337 3.624 3.960 0.001 0.000 0.242 541 G C 0.636 175.450 174.900 -0.143 0.000 0.989 541 G CA 0.420 45.427 45.100 -0.155 0.000 0.682 541 G HN 0.304 nan 8.290 nan 0.000 0.522 542 Y N 0.014 120.307 120.300 -0.011 0.000 2.293 542 Y HA 0.310 4.860 4.550 0.001 0.000 0.291 542 Y C 2.077 178.055 175.900 0.131 0.000 1.137 542 Y CA 2.082 60.220 58.100 0.063 0.000 1.202 542 Y CB 0.208 38.691 38.460 0.038 0.000 0.990 542 Y HN 0.452 nan 8.280 nan 0.000 0.537 543 T N -2.434 112.239 114.554 0.199 0.000 2.648 543 T HA 0.588 4.938 4.350 0.001 0.000 0.304 543 T C -1.278 173.457 174.700 0.059 0.000 1.312 543 T CA -0.668 61.517 62.100 0.142 0.000 1.023 543 T CB 1.003 69.982 68.868 0.185 0.000 1.612 543 T HN -0.130 nan 8.240 nan 0.000 0.487 544 S N 0.805 116.533 115.700 0.048 0.000 2.595 544 S HA 0.532 5.003 4.470 0.001 0.000 0.281 544 S C -2.163 172.447 174.600 0.015 0.000 1.117 544 S CA -1.000 57.207 58.200 0.011 0.000 0.873 544 S CB 1.962 65.160 63.200 -0.002 0.000 1.108 544 S HN 0.540 nan 8.310 nan 0.000 0.477 545 P HA -0.208 nan 4.420 nan 0.000 0.216 545 P C 1.206 178.518 177.300 0.020 0.000 1.157 545 P CA 1.535 64.611 63.100 -0.041 0.000 0.880 545 P CB 0.018 31.669 31.700 -0.081 0.000 0.791 546 K N -0.407 120.008 120.400 0.026 0.000 2.439 546 K HA -0.038 4.283 4.320 0.001 0.000 0.197 546 K C 1.665 178.314 176.600 0.081 0.000 1.041 546 K CA 1.075 57.393 56.287 0.051 0.000 0.970 546 K CB -0.203 32.318 32.500 0.035 0.000 0.773 546 K HN 0.045 nan 8.250 nan 0.000 0.479 547 R N 0.396 120.950 120.500 0.091 0.000 2.362 547 R HA 0.198 4.538 4.340 0.001 0.000 0.227 547 R C -0.395 176.016 176.300 0.186 0.000 0.905 547 R CA -0.365 55.816 56.100 0.135 0.000 1.067 547 R CB 0.278 30.649 30.300 0.119 0.000 1.078 547 R HN 0.101 nan 8.270 nan 0.000 0.516 548 L N 1.099 122.420 121.223 0.163 0.000 2.264 548 L HA 0.314 4.654 4.340 0.001 0.000 0.289 548 L C -0.685 176.300 176.870 0.191 0.000 1.044 548 L CA 0.255 55.207 54.840 0.185 0.000 0.807 548 L CB 1.753 43.909 42.059 0.161 0.000 1.192 548 L HN -0.147 nan 8.230 nan 0.000 0.425 549 T N 6.735 121.377 114.554 0.148 0.000 2.824 549 T HA 0.612 4.963 4.350 0.001 0.000 0.280 549 T C -0.152 174.458 174.700 -0.149 0.000 0.995 549 T CA -0.219 61.904 62.100 0.039 0.000 1.009 549 T CB 0.810 69.713 68.868 0.059 0.000 0.955 549 T HN 0.590 nan 8.240 nan 0.000 0.452 550 I N 1.201 121.647 120.570 -0.206 0.000 2.493 550 I HA 0.681 4.852 4.170 0.001 0.000 0.298 550 I C -0.381 175.545 176.117 -0.319 0.000 0.998 550 I CA -0.767 60.365 61.300 -0.280 0.000 1.137 550 I CB 1.804 39.642 38.000 -0.270 0.000 1.310 550 I HN 0.473 nan 8.210 nan 0.000 0.445 551 N N 3.324 121.816 118.700 -0.346 0.000 2.235 551 N HA 0.757 5.497 4.740 0.001 0.000 0.293 551 N C -1.240 174.137 175.510 -0.222 0.000 1.083 551 N CA -0.454 52.441 53.050 -0.259 0.000 0.801 551 N CB 2.711 41.002 38.487 -0.328 0.000 1.559 551 N HN 1.085 nan 8.380 nan 0.000 0.472 552 G N 0.105 108.797 108.800 -0.181 0.000 2.703 552 G HA2 0.589 4.549 3.960 0.001 0.000 0.294 552 G HA3 0.589 4.549 3.960 0.001 0.000 0.294 552 G C -1.441 173.416 174.900 -0.070 0.000 1.451 552 G CA -0.647 44.294 45.100 -0.265 0.000 0.869 552 G HN 0.579 nan 8.290 nan 0.000 0.516 553 G N -0.684 108.129 108.800 0.023 0.000 2.495 553 G HA2 0.690 4.651 3.960 0.001 0.000 0.318 553 G HA3 0.690 4.651 3.960 0.001 0.000 0.318 553 G C 0.291 175.227 174.900 0.061 0.000 1.257 553 G CA 0.930 46.049 45.100 0.033 0.000 0.962 553 G HN 1.963 nan 8.290 nan 0.000 0.483 554 S N 1.321 117.023 115.700 0.003 0.000 4.141 554 S HA -0.367 4.103 4.470 0.001 0.000 0.622 554 S C 1.987 176.518 174.600 -0.116 0.000 1.894 554 S CA 1.851 60.075 58.200 0.040 0.000 4.238 554 S CB -1.540 61.789 63.200 0.214 0.000 0.205 554 S HN 1.359 nan 8.310 nan 0.000 0.486 555 N N 1.291 119.874 118.700 -0.194 0.000 2.192 555 N HA -0.020 4.721 4.740 0.001 0.000 0.188 555 N C 1.631 176.897 175.510 -0.407 0.000 1.013 555 N CA 2.648 55.503 53.050 -0.324 0.000 0.863 555 N CB -0.987 37.214 38.487 -0.477 0.000 0.990 555 N HN 0.670 nan 8.380 nan 0.000 0.430 556 G N -1.144 107.435 108.800 -0.368 0.000 2.448 556 G HA2 -0.066 3.894 3.960 0.001 0.000 0.218 556 G HA3 -0.066 3.894 3.960 0.001 0.000 0.218 556 G C 1.438 176.179 174.900 -0.265 0.000 1.135 556 G CA 0.565 45.474 45.100 -0.318 0.000 0.784 556 G HN 0.436 nan 8.290 nan 0.000 0.543 557 G N 1.082 109.777 108.800 -0.175 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 1.721 176.510 174.900 -0.185 0.000 1.162 557 G CA 1.007 46.015 45.100 -0.152 0.000 0.777 557 G HN 0.422 nan 8.290 nan 0.000 0.539 558 L N 0.470 121.573 121.223 -0.199 0.000 2.012 558 L HA -0.029 4.311 4.340 0.001 0.000 0.210 558 L C 2.515 179.307 176.870 -0.131 0.000 1.073 558 L CA 1.946 56.672 54.840 -0.189 0.000 0.748 558 L CB -0.748 41.211 42.059 -0.166 0.000 0.891 558 L HN 0.189 nan 8.230 nan 0.000 0.431 559 L N -0.284 120.864 121.223 -0.125 0.000 1.971 559 L HA -0.190 4.150 4.340 0.001 0.000 0.215 559 L C 2.579 179.333 176.870 -0.194 0.000 1.072 559 L CA 2.612 57.392 54.840 -0.099 0.000 0.758 559 L CB -1.035 40.761 42.059 -0.438 0.000 0.889 559 L HN 0.370 nan 8.230 nan 0.000 0.433 560 V N -2.537 117.211 119.914 -0.276 0.000 2.548 560 V HA -0.009 4.112 4.120 0.001 0.000 0.249 560 V C 2.468 178.460 176.094 -0.171 0.000 1.055 560 V CA 1.298 63.456 62.300 -0.238 0.000 1.065 560 V CB -1.732 29.948 31.823 -0.239 0.000 0.681 560 V HN 0.485 nan 8.190 nan 0.000 0.462 561 A N 0.806 123.541 122.820 -0.142 0.000 1.898 561 A HA -0.117 4.204 4.320 0.001 0.000 0.216 561 A C 2.344 179.868 177.584 -0.101 0.000 1.181 561 A CA 2.467 54.468 52.037 -0.061 0.000 0.620 561 A CB -1.262 17.602 19.000 -0.228 0.000 0.819 561 A HN 0.541 nan 8.150 nan 0.000 0.442 562 T N -0.613 113.789 114.554 -0.255 0.000 2.708 562 T HA -0.180 4.171 4.350 0.001 0.000 0.266 562 T C 1.913 176.463 174.700 -0.250 0.000 1.037 562 T CA 1.670 63.532 62.100 -0.396 0.000 1.146 562 T CB -0.644 67.594 68.868 -1.051 0.000 0.865 562 T HN 0.589 nan 8.240 nan 0.000 0.435 563 C N 1.722 120.933 119.300 -0.148 0.000 2.422 563 C HA 0.133 4.594 4.460 0.001 0.000 0.279 563 C C 3.186 178.250 174.990 0.123 0.000 1.305 563 C CA 0.114 59.169 59.018 0.061 0.000 1.757 563 C CB -1.498 26.341 27.740 0.165 0.000 1.962 563 C HN 0.642 nan 8.230 nan 0.000 0.499 564 A N 1.574 124.376 122.820 -0.031 0.000 1.902 564 A HA -0.193 4.127 4.320 0.001 0.000 0.217 564 A C 1.951 179.402 177.584 -0.223 0.000 1.181 564 A CA 1.993 53.994 52.037 -0.061 0.000 0.623 564 A CB -0.575 18.395 19.000 -0.050 0.000 0.818 564 A HN 0.626 nan 8.150 nan 0.000 0.443 565 N N -0.237 118.416 118.700 -0.080 0.000 2.120 565 N HA -0.137 4.603 4.740 0.001 0.000 0.188 565 N C 1.946 177.442 175.510 -0.023 0.000 1.024 565 N CA 1.660 54.707 53.050 -0.005 0.000 0.852 565 N CB -0.387 38.162 38.487 0.104 0.000 1.003 565 N HN 0.684 nan 8.380 nan 0.000 0.424 566 Q N -0.451 119.339 119.800 -0.017 0.000 2.163 566 Q HA 0.130 4.471 4.340 0.001 0.000 0.198 566 Q C 0.109 176.119 176.000 0.015 0.000 0.954 566 Q CA 0.761 56.569 55.803 0.009 0.000 0.851 566 Q CB 0.479 29.219 28.738 0.005 0.000 0.928 566 Q HN 0.060 nan 8.270 nan 0.000 0.459 567 R N 0.502 121.026 120.500 0.041 0.000 2.738 567 R HA 0.189 4.530 4.340 0.001 0.000 0.280 567 R C -2.208 174.059 176.300 -0.054 0.000 1.456 567 R CA -1.505 54.585 56.100 -0.017 0.000 1.612 567 R CB 0.711 30.982 30.300 -0.049 0.000 1.286 567 R HN 0.133 nan 8.270 nan 0.000 0.660 568 P HA -0.159 nan 4.420 nan 0.000 0.222 568 P C 0.647 177.895 177.300 -0.088 0.000 1.147 568 P CA 1.149 64.173 63.100 -0.127 0.000 0.790 568 P CB 0.272 31.801 31.700 -0.285 0.000 0.780 569 D N -0.636 119.692 120.400 -0.120 0.000 2.312 569 D HA -0.108 4.532 4.640 0.001 0.000 0.211 569 D C 1.715 177.882 176.300 -0.221 0.000 0.964 569 D CA 0.421 54.347 54.000 -0.122 0.000 0.877 569 D CB -0.615 40.127 40.800 -0.096 0.000 0.924 569 D HN 0.122 nan 8.370 nan 0.000 0.515 570 L N -0.738 120.218 121.223 -0.446 0.000 2.477 570 L HA 0.257 4.597 4.340 0.001 0.000 0.220 570 L C -0.301 176.082 176.870 -0.812 0.000 1.106 570 L CA 0.474 54.861 54.840 -0.755 0.000 0.851 570 L CB -0.077 41.276 42.059 -1.176 0.000 0.994 570 L HN -0.177 nan 8.230 nan 0.000 0.462 571 F N -2.171 117.760 119.950 -0.031 0.000 2.532 571 F HA 0.563 5.090 4.527 0.001 0.000 0.321 571 F C 1.309 177.114 175.800 0.008 0.000 1.089 571 F CA -0.696 57.295 58.000 -0.015 0.000 0.926 571 F CB 1.145 40.135 39.000 -0.017 0.000 1.168 571 F HN -0.248 nan 8.300 nan 0.000 0.459 572 G N -0.122 108.802 108.800 0.207 0.000 2.426 572 G HA2 0.062 4.022 3.960 0.001 0.000 0.214 572 G HA3 0.062 4.022 3.960 0.001 0.000 0.214 572 G C -0.322 174.677 174.900 0.164 0.000 1.156 572 G CA 0.513 45.703 45.100 0.149 0.000 0.802 572 G HN 0.640 nan 8.290 nan 0.000 0.534 573 C N -0.161 119.251 119.300 0.187 0.000 2.880 573 C HA 0.711 5.171 4.460 0.001 0.000 0.320 573 C C -1.295 173.775 174.990 0.135 0.000 1.176 573 C CA -0.691 58.442 59.018 0.191 0.000 1.390 573 C CB 1.152 29.003 27.740 0.184 0.000 1.846 573 C HN 0.120 nan 8.230 nan 0.000 0.478 574 V N 6.636 126.644 119.914 0.157 0.000 2.525 574 V HA 0.525 4.645 4.120 0.001 0.000 0.299 574 V C -0.533 175.567 176.094 0.009 0.000 1.034 574 V CA -0.254 62.054 62.300 0.014 0.000 0.863 574 V CB 1.679 33.486 31.823 -0.027 0.000 0.999 574 V HN 0.740 nan 8.190 nan 0.000 0.423 575 I N 4.191 124.720 120.570 -0.067 0.000 2.420 575 I HA 0.696 4.866 4.170 0.001 0.000 0.282 575 I C 0.234 176.296 176.117 -0.091 0.000 1.019 575 I CA -0.546 60.694 61.300 -0.101 0.000 1.130 575 I CB 1.760 39.704 38.000 -0.093 0.000 1.262 575 I HN 0.669 nan 8.210 nan 0.000 0.454 576 A N 6.474 129.251 122.820 -0.073 0.000 2.258 576 A HA 0.601 4.922 4.320 0.001 0.000 0.316 576 A C -0.454 177.106 177.584 -0.040 0.000 1.279 576 A CA -0.472 51.531 52.037 -0.056 0.000 0.876 576 A CB 0.635 19.622 19.000 -0.023 0.000 1.170 576 A HN 0.722 nan 8.150 nan 0.000 0.520 577 Q N 1.335 121.113 119.800 -0.037 0.000 2.271 577 Q HA 0.448 4.789 4.340 0.001 0.000 0.258 577 Q C 0.435 176.414 176.000 -0.036 0.000 0.936 577 Q CA -0.294 55.492 55.803 -0.029 0.000 0.909 577 Q CB 2.062 30.789 28.738 -0.019 0.000 1.253 577 Q HN 1.554 nan 8.270 nan 0.000 0.440 578 V N -0.233 119.674 119.914 -0.012 0.000 5.479 578 V HA -0.234 3.886 4.120 0.001 0.000 0.289 578 V C 0.210 176.332 176.094 0.046 0.000 0.595 578 V CA 0.885 63.205 62.300 0.033 0.000 0.649 578 V CB -2.408 29.395 31.823 -0.033 0.000 0.390 578 V HN 0.827 nan 8.190 nan 0.000 0.974 579 G N -0.349 108.445 108.800 -0.010 0.000 2.420 579 G HA2 0.589 4.549 3.960 0.001 0.000 0.284 579 G HA3 0.589 4.549 3.960 0.001 0.000 0.284 579 G C -0.291 174.508 174.900 -0.169 0.000 1.177 579 G CA -0.299 44.746 45.100 -0.093 0.000 0.841 579 G HN 1.222 nan 8.290 nan 0.000 0.527 580 V N 3.641 123.379 119.914 -0.295 0.000 2.405 580 V HA 0.100 4.220 4.120 0.001 0.000 0.264 580 V C 0.635 176.529 176.094 -0.333 0.000 1.048 580 V CA -0.161 61.842 62.300 -0.495 0.000 0.966 580 V CB 1.077 32.618 31.823 -0.471 0.000 1.015 580 V HN 0.713 nan 8.190 nan 0.000 0.477 581 M N 1.276 120.789 119.600 -0.146 0.000 2.638 581 M HA 0.268 4.748 4.480 0.001 0.000 0.256 581 M C 0.592 176.893 176.300 0.002 0.000 1.282 581 M CA 0.387 55.579 55.300 -0.181 0.000 1.155 581 M CB -0.096 32.326 32.600 -0.297 0.000 1.345 581 M HN 0.558 nan 8.290 nan 0.000 0.523 582 D N 1.670 122.295 120.400 0.374 0.000 2.479 582 D HA 0.213 4.854 4.640 0.001 0.000 0.218 582 D C 0.723 177.283 176.300 0.433 0.000 1.131 582 D CA -0.006 54.193 54.000 0.332 0.000 0.916 582 D CB 0.865 41.818 40.800 0.255 0.000 1.022 582 D HN -0.048 nan 8.370 nan 0.000 0.515 583 M N 2.895 122.657 119.600 0.270 0.000 2.562 583 M HA 0.032 4.513 4.480 0.001 0.000 0.257 583 M C 1.614 178.163 176.300 0.415 0.000 1.099 583 M CA 0.460 55.927 55.300 0.278 0.000 1.099 583 M CB -0.205 32.319 32.600 -0.126 0.000 1.427 583 M HN 0.446 nan 8.290 nan 0.000 0.489 584 L N -0.839 120.546 121.223 0.269 0.000 2.375 584 L HA -0.061 4.279 4.340 0.001 0.000 0.215 584 L C 1.740 178.800 176.870 0.317 0.000 1.108 584 L CA 0.748 55.696 54.840 0.181 0.000 0.830 584 L CB -0.186 41.797 42.059 -0.126 0.000 0.959 584 L HN 0.250 nan 8.230 nan 0.000 0.457 585 K N -0.432 120.146 120.400 0.297 0.000 2.402 585 K HA 0.103 4.423 4.320 0.001 0.000 0.204 585 K C 1.650 178.221 176.600 -0.047 0.000 1.056 585 K CA -0.018 56.306 56.287 0.063 0.000 1.069 585 K CB 0.429 33.023 32.500 0.158 0.000 0.888 585 K HN 0.122 nan 8.250 nan 0.000 0.546 586 F N 1.944 122.100 119.950 0.343 0.000 2.192 586 F HA -0.240 4.287 4.527 0.001 0.000 0.301 586 F C 2.141 178.049 175.800 0.179 0.000 1.079 586 F CA 1.373 59.663 58.000 0.483 0.000 1.303 586 F CB -0.924 38.429 39.000 0.589 0.000 1.024 586 F HN 0.119 nan 8.300 nan 0.000 0.494 587 H N 0.605 119.203 119.070 -0.785 0.000 2.524 587 H HA 0.078 4.635 4.556 0.001 0.000 0.282 587 H C 1.178 176.290 175.328 -0.360 0.000 1.016 587 H CA 1.142 56.836 56.048 -0.590 0.000 1.270 587 H CB -0.677 28.683 29.762 -0.670 0.000 1.394 587 H HN 0.418 nan 8.280 nan 0.000 0.568 588 K N 0.208 120.021 120.400 -0.977 0.000 2.366 588 K HA 0.037 4.357 4.320 0.001 0.000 0.198 588 K C -0.421 175.751 176.600 -0.714 0.000 1.044 588 K CA 0.352 56.081 56.287 -0.929 0.000 0.973 588 K CB 0.214 31.962 32.500 -1.254 0.000 0.767 588 K HN 0.231 nan 8.250 nan 0.000 0.475 589 Y N 0.690 120.925 120.300 -0.109 0.000 2.409 589 Y HA 0.055 4.605 4.550 0.001 0.000 0.339 589 Y C 1.498 177.355 175.900 -0.071 0.000 1.033 589 Y CA -1.090 56.980 58.100 -0.050 0.000 1.094 589 Y CB 1.136 39.596 38.460 -0.000 0.000 1.210 589 Y HN 0.155 nan 8.280 nan 0.000 0.456 590 T N -0.315 114.313 114.554 0.122 0.000 4.458 590 T HA -0.413 3.938 4.350 0.001 0.000 0.148 590 T C 1.002 175.649 174.700 -0.088 0.000 1.722 590 T CA 2.095 64.207 62.100 0.020 0.000 0.995 590 T CB -1.069 67.814 68.868 0.025 0.000 1.125 590 T HN 0.598 nan 8.240 nan 0.000 0.424 591 I N 2.535 122.984 120.570 -0.202 0.000 3.928 591 I HA 0.473 4.644 4.170 0.001 0.000 0.335 591 I C 2.271 177.804 176.117 -0.973 0.000 1.325 591 I CA 0.559 61.565 61.300 -0.489 0.000 1.107 591 I CB -0.599 37.226 38.000 -0.292 0.000 1.014 591 I HN 0.731 nan 8.210 nan 0.000 0.400 592 G N 0.427 108.658 108.800 -0.947 0.000 2.485 592 G HA2 -0.360 3.601 3.960 0.001 0.000 0.221 592 G HA3 -0.360 3.601 3.960 0.001 0.000 0.221 592 G C 1.435 175.924 174.900 -0.684 0.000 1.115 592 G CA 1.379 45.651 45.100 -1.380 0.000 0.751 592 G HN 0.702 nan 8.290 nan 0.000 0.567 593 H N -0.273 118.600 119.070 -0.328 0.000 2.457 593 H HA 0.277 4.833 4.556 0.001 0.000 0.297 593 H C 2.337 177.622 175.328 -0.072 0.000 1.092 593 H CA 1.129 57.103 56.048 -0.122 0.000 1.309 593 H CB -0.573 29.137 29.762 -0.088 0.000 1.382 593 H HN 0.274 nan 8.280 nan 0.000 0.535 594 A N 0.696 123.234 122.820 -0.470 0.000 2.119 594 A HA -0.057 4.263 4.320 0.001 0.000 0.217 594 A C 1.154 178.831 177.584 0.155 0.000 1.153 594 A CA 0.866 52.801 52.037 -0.170 0.000 0.692 594 A CB -0.722 18.086 19.000 -0.320 0.000 0.799 594 A HN 0.623 nan 8.150 nan 0.000 0.458 595 W N 0.496 121.951 121.300 0.258 0.000 3.256 595 W HA 0.087 4.748 4.660 0.001 0.000 0.269 595 W C 1.871 178.554 176.519 0.273 0.000 1.310 595 W CA 0.814 58.334 57.345 0.291 0.000 1.673 595 W CB -1.711 27.916 29.460 0.278 0.000 1.115 595 W HN 0.505 nan 8.180 nan 0.000 0.686 596 T N -2.127 112.770 114.554 0.571 0.000 2.977 596 T HA -0.188 4.162 4.350 0.001 0.000 0.271 596 T C 1.740 176.607 174.700 0.277 0.000 1.105 596 T CA 1.944 64.351 62.100 0.512 0.000 1.116 596 T CB -0.698 68.388 68.868 0.364 0.000 0.878 596 T HN 0.138 nan 8.240 nan 0.000 0.509 597 T N -0.879 113.776 114.554 0.168 0.000 2.951 597 T HA -0.022 4.329 4.350 0.001 0.000 0.268 597 T C 1.444 176.099 174.700 -0.075 0.000 1.073 597 T CA 1.193 63.325 62.100 0.054 0.000 1.134 597 T CB -0.359 68.531 68.868 0.036 0.000 0.884 597 T HN 0.302 nan 8.240 nan 0.000 0.479 598 D N -0.162 120.109 120.400 -0.214 0.000 2.201 598 D HA 0.135 4.776 4.640 0.001 0.000 0.209 598 D C 1.296 177.393 176.300 -0.339 0.000 0.961 598 D CA 0.651 54.325 54.000 -0.543 0.000 0.861 598 D CB 0.008 39.983 40.800 -1.375 0.000 0.997 598 D HN 0.410 nan 8.370 nan 0.000 0.486 599 Y N -0.064 120.234 120.300 -0.003 0.000 2.503 599 Y HA 0.388 4.939 4.550 0.001 0.000 0.277 599 Y C 1.523 177.589 175.900 0.276 0.000 1.102 599 Y CA 0.487 58.647 58.100 0.100 0.000 1.261 599 Y CB 0.016 38.484 38.460 0.012 0.000 1.096 599 Y HN -0.035 nan 8.280 nan 0.000 0.546 600 G N -0.468 108.590 108.800 0.431 0.000 2.710 600 G HA2 -0.152 3.808 3.960 0.001 0.000 0.668 600 G HA3 -0.152 3.808 3.960 0.001 0.000 0.668 600 G C -1.183 174.056 174.900 0.565 0.000 1.320 600 G CA -0.953 44.363 45.100 0.359 0.000 0.860 600 G HN 0.437 nan 8.290 nan 0.000 0.538 601 C N 0.217 119.854 119.300 0.562 0.000 2.535 601 C HA 0.752 5.213 4.460 0.001 0.000 0.319 601 C C 1.934 176.972 174.990 0.079 0.000 1.171 601 C CA 0.673 59.775 59.018 0.140 0.000 1.394 601 C CB 0.862 28.544 27.740 -0.097 0.000 1.990 601 C HN 2.033 nan 8.230 nan 0.000 0.466 602 S N 1.963 117.688 115.700 0.040 0.000 2.500 602 S HA -0.128 4.343 4.470 0.001 0.000 0.239 602 S C 0.889 175.661 174.600 0.287 0.000 0.989 602 S CA 1.603 59.947 58.200 0.240 0.000 0.951 602 S CB -0.285 63.124 63.200 0.348 0.000 0.759 602 S HN 0.866 nan 8.310 nan 0.000 0.523 603 D N 1.915 122.350 120.400 0.058 0.000 2.263 603 D HA 0.016 4.657 4.640 0.001 0.000 0.208 603 D C 0.872 177.232 176.300 0.100 0.000 0.971 603 D CA 0.854 54.889 54.000 0.059 0.000 0.867 603 D CB -0.269 40.488 40.800 -0.071 0.000 0.929 603 D HN 0.503 nan 8.370 nan 0.000 0.492 604 S N 0.073 115.714 115.700 -0.098 0.000 2.475 604 S HA 0.136 4.607 4.470 0.001 0.000 0.281 604 S C 1.060 175.368 174.600 -0.487 0.000 1.198 604 S CA -0.735 57.255 58.200 -0.350 0.000 1.063 604 S CB 1.647 64.396 63.200 -0.751 0.000 0.972 604 S HN -0.021 nan 8.310 nan 0.000 0.486 605 K N 3.444 123.330 120.400 -0.856 0.000 2.044 605 K HA -0.211 4.110 4.320 0.001 0.000 0.210 605 K C 2.074 178.429 176.600 -0.409 0.000 1.049 605 K CA 1.852 57.567 56.287 -0.953 0.000 0.927 605 K CB -0.275 31.818 32.500 -0.678 0.000 0.713 605 K HN 0.846 nan 8.250 nan 0.000 0.443 606 Q N -0.127 119.440 119.800 -0.388 0.000 2.030 606 Q HA -0.230 4.110 4.340 0.001 0.000 0.204 606 Q C 1.946 177.466 176.000 -0.800 0.000 0.986 606 Q CA 1.940 57.495 55.803 -0.412 0.000 0.843 606 Q CB -0.148 28.420 28.738 -0.284 0.000 0.904 606 Q HN 0.632 nan 8.270 nan 0.000 0.420 607 H N -1.252 117.225 119.070 -0.988 0.000 2.321 607 H HA -0.149 4.407 4.556 0.001 0.000 0.300 607 H C 2.015 177.039 175.328 -0.506 0.000 1.087 607 H CA 0.937 56.310 56.048 -1.125 0.000 1.319 607 H CB -0.208 29.249 29.762 -0.508 0.000 1.379 607 H HN 0.318 nan 8.280 nan 0.000 0.501 608 F N 2.600 122.401 119.950 -0.248 0.000 2.120 608 F HA -0.243 4.284 4.527 0.001 0.000 0.300 608 F C 2.247 177.928 175.800 -0.198 0.000 1.095 608 F CA 1.416 59.317 58.000 -0.164 0.000 1.249 608 F CB -0.051 38.928 39.000 -0.036 0.000 0.995 608 F HN 0.068 nan 8.300 nan 0.000 0.480 609 E N -0.167 119.889 120.200 -0.241 0.000 2.153 609 E HA -0.222 4.128 4.350 0.001 0.000 0.194 609 E C 2.177 178.712 176.600 -0.108 0.000 0.988 609 E CA 1.412 57.678 56.400 -0.224 0.000 0.811 609 E CB -0.719 28.939 29.700 -0.070 0.000 0.746 609 E HN 0.582 nan 8.360 nan 0.000 0.466 610 W N 0.920 122.170 121.300 -0.083 0.000 2.379 610 W HA -0.007 4.653 4.660 0.001 0.000 0.307 610 W C 2.309 178.763 176.519 -0.109 0.000 1.200 610 W CA 0.244 57.579 57.345 -0.016 0.000 1.297 610 W CB -1.322 28.178 29.460 0.067 0.000 1.140 610 W HN 0.039 nan 8.180 nan 0.000 0.507 611 L N -0.238 120.956 121.223 -0.048 0.000 2.093 611 L HA -0.190 4.151 4.340 0.001 0.000 0.208 611 L C 2.418 178.909 176.870 -0.631 0.000 1.085 611 L CA 0.886 55.463 54.840 -0.438 0.000 0.755 611 L CB -0.978 40.920 42.059 -0.267 0.000 0.904 611 L HN -0.164 nan 8.230 nan 0.000 0.435 612 I N -0.052 120.109 120.570 -0.682 0.000 2.454 612 I HA -0.253 3.918 4.170 0.001 0.000 0.254 612 I C 2.320 178.223 176.117 -0.357 0.000 1.156 612 I CA 1.567 62.448 61.300 -0.698 0.000 1.433 612 I CB -0.267 37.038 38.000 -1.157 0.000 1.082 612 I HN 0.112 nan 8.210 nan 0.000 0.432 613 K N -0.701 119.562 120.400 -0.229 0.000 2.217 613 K HA -0.150 4.170 4.320 0.001 0.000 0.202 613 K C 1.494 178.112 176.600 0.029 0.000 1.051 613 K CA 1.809 58.069 56.287 -0.044 0.000 0.952 613 K CB -0.129 32.409 32.500 0.064 0.000 0.736 613 K HN 0.634 nan 8.250 nan 0.000 0.453 614 Y N -2.450 117.807 120.300 -0.071 0.000 2.423 614 Y HA 0.316 4.867 4.550 0.001 0.000 0.257 614 Y C 0.547 176.348 175.900 -0.166 0.000 1.087 614 Y CA -0.749 57.264 58.100 -0.146 0.000 1.258 614 Y CB -0.037 38.339 38.460 -0.140 0.000 1.237 614 Y HN -0.268 nan 8.280 nan 0.000 0.517 615 S N 4.171 119.611 115.700 -0.434 0.000 2.998 615 S HA 0.006 4.477 4.470 0.001 0.000 0.348 615 S C -1.431 173.108 174.600 -0.103 0.000 1.210 615 S CA -0.660 57.398 58.200 -0.237 0.000 1.118 615 S CB 0.384 63.559 63.200 -0.041 0.000 0.832 615 S HN 0.261 nan 8.310 nan 0.000 0.516 616 P HA -0.131 nan 4.420 nan 0.000 0.216 616 P C 1.534 178.754 177.300 -0.134 0.000 1.153 616 P CA 0.530 63.461 63.100 -0.280 0.000 0.858 616 P CB 0.055 31.315 31.700 -0.733 0.000 0.789 617 L N -1.193 119.896 121.223 -0.223 0.000 2.191 617 L HA -0.157 4.184 4.340 0.001 0.000 0.212 617 L C 1.332 178.030 176.870 -0.287 0.000 1.103 617 L CA 2.068 56.806 54.840 -0.169 0.000 0.769 617 L CB -1.125 40.719 42.059 -0.359 0.000 0.908 617 L HN 0.101 nan 8.230 nan 0.000 0.438 618 H N -1.938 117.160 119.070 0.046 0.000 2.594 618 H HA 0.330 4.887 4.556 0.001 0.000 0.279 618 H C 0.547 175.904 175.328 0.049 0.000 1.042 618 H CA 0.124 56.195 56.048 0.038 0.000 1.177 618 H CB 0.102 29.847 29.762 -0.029 0.000 1.524 618 H HN 0.277 nan 8.280 nan 0.000 0.537 619 N N 0.515 119.298 118.700 0.137 0.000 2.305 619 N HA 0.079 4.819 4.740 0.001 0.000 0.248 619 N C -0.735 174.886 175.510 0.184 0.000 1.290 619 N CA 0.128 53.258 53.050 0.133 0.000 0.873 619 N CB 1.939 40.476 38.487 0.084 0.000 1.261 619 N HN -0.018 nan 8.380 nan 0.000 0.504 620 V N 1.994 122.023 119.914 0.191 0.000 2.421 620 V HA 0.112 4.232 4.120 0.001 0.000 0.271 620 V C 0.478 176.625 176.094 0.088 0.000 1.031 620 V CA 0.262 62.661 62.300 0.166 0.000 1.032 620 V CB 0.212 32.070 31.823 0.058 0.000 1.009 620 V HN 0.111 nan 8.190 nan 0.000 0.477 621 K N 5.720 126.199 120.400 0.132 0.000 2.565 621 K HA 0.388 4.708 4.320 0.001 0.000 0.249 621 K C -0.870 175.796 176.600 0.109 0.000 0.958 621 K CA -0.846 55.499 56.287 0.097 0.000 0.806 621 K CB 1.754 34.332 32.500 0.129 0.000 1.194 621 K HN 0.561 nan 8.250 nan 0.000 0.434 622 L N 5.838 127.066 121.223 0.008 0.000 2.559 622 L HA 0.106 4.446 4.340 0.001 0.000 0.274 622 L C -2.002 174.934 176.870 0.110 0.000 1.205 622 L CA -0.975 53.879 54.840 0.024 0.000 0.907 622 L CB 0.448 42.496 42.059 -0.019 0.000 1.153 622 L HN 0.605 nan 8.230 nan 0.000 0.490 623 P HA 0.041 nan 4.420 nan 0.000 0.268 623 P C 0.273 177.621 177.300 0.079 0.000 1.205 623 P CA -0.072 63.108 63.100 0.134 0.000 0.771 623 P CB 0.657 32.441 31.700 0.140 0.000 0.858 624 E N 1.963 122.200 120.200 0.062 0.000 2.051 624 E HA -0.091 4.260 4.350 0.001 0.000 0.192 624 E C 0.632 177.253 176.600 0.035 0.000 0.991 624 E CA 0.653 57.079 56.400 0.043 0.000 0.799 624 E CB -0.181 29.541 29.700 0.038 0.000 0.748 624 E HN 0.575 nan 8.360 nan 0.000 0.449 625 A N 1.836 124.677 122.820 0.034 0.000 2.548 625 A HA -0.104 4.216 4.320 0.001 0.000 0.247 625 A C 0.377 177.977 177.584 0.027 0.000 1.067 625 A CA 0.033 52.086 52.037 0.025 0.000 0.757 625 A CB 0.189 19.201 19.000 0.020 0.000 0.996 625 A HN 0.079 nan 8.150 nan 0.000 0.504 626 D N 1.075 121.487 120.400 0.020 0.000 2.228 626 D HA -0.149 4.491 4.640 0.001 0.000 0.203 626 D C 1.114 177.426 176.300 0.019 0.000 0.988 626 D CA 1.995 56.006 54.000 0.018 0.000 0.864 626 D CB 0.093 40.901 40.800 0.013 0.000 0.928 626 D HN 0.778 nan 8.370 nan 0.000 0.469 627 D N -0.724 119.687 120.400 0.018 0.000 2.340 627 D HA 0.010 4.651 4.640 0.001 0.000 0.217 627 D C 0.377 176.690 176.300 0.023 0.000 1.081 627 D CA -0.134 53.876 54.000 0.017 0.000 0.842 627 D CB -0.038 40.768 40.800 0.009 0.000 0.934 627 D HN 0.202 nan 8.370 nan 0.000 0.511 628 I N 1.391 121.980 120.570 0.032 0.000 2.404 628 I HA 0.248 4.418 4.170 0.001 0.000 0.293 628 I C 0.018 176.181 176.117 0.077 0.000 0.992 628 I CA -0.829 60.497 61.300 0.043 0.000 1.149 628 I CB 1.702 39.722 38.000 0.033 0.000 1.315 628 I HN -0.048 nan 8.210 nan 0.000 0.446 629 Q N 4.410 124.267 119.800 0.096 0.000 2.495 629 Q HA 0.499 4.840 4.340 0.001 0.000 0.283 629 Q C -1.386 174.752 176.000 0.230 0.000 1.097 629 Q CA -0.971 54.925 55.803 0.156 0.000 0.836 629 Q CB 1.440 30.248 28.738 0.116 0.000 1.426 629 Q HN 0.343 nan 8.270 nan 0.000 0.459 630 Y N 1.589 121.918 120.300 0.048 0.000 2.480 630 Y HA 0.185 4.735 4.550 0.001 0.000 0.338 630 Y C -1.892 174.059 175.900 0.086 0.000 1.220 630 Y CA -1.580 56.560 58.100 0.066 0.000 1.430 630 Y CB 0.173 38.660 38.460 0.045 0.000 1.311 630 Y HN 0.525 nan 8.280 nan 0.000 0.575 631 P HA 0.014 nan 4.420 nan 0.000 0.273 631 P C -0.671 176.751 177.300 0.203 0.000 1.250 631 P CA -0.267 62.931 63.100 0.163 0.000 0.793 631 P CB 0.538 32.340 31.700 0.170 0.000 1.011 632 S N 0.845 116.662 115.700 0.195 0.000 2.537 632 S HA 0.214 4.684 4.470 0.001 0.000 0.286 632 S C 0.424 175.272 174.600 0.413 0.000 1.299 632 S CA 0.191 58.550 58.200 0.264 0.000 1.067 632 S CB -0.598 62.658 63.200 0.094 0.000 0.864 632 S HN 0.313 nan 8.310 nan 0.000 0.494 633 M N 3.367 123.221 119.600 0.423 0.000 2.395 633 M HA 0.500 4.980 4.480 0.001 0.000 0.307 633 M C -1.339 174.921 176.300 -0.067 0.000 1.091 633 M CA -0.743 54.678 55.300 0.202 0.000 0.919 633 M CB 1.925 34.589 32.600 0.106 0.000 1.662 633 M HN 0.432 nan 8.290 nan 0.000 0.440 634 L N 4.693 125.694 121.223 -0.371 0.000 2.376 634 L HA 0.644 4.985 4.340 0.001 0.000 0.275 634 L C -1.741 174.969 176.870 -0.267 0.000 0.987 634 L CA -0.286 54.200 54.840 -0.590 0.000 0.828 634 L CB 1.476 42.799 42.059 -1.227 0.000 1.249 634 L HN 0.663 nan 8.230 nan 0.000 0.409 635 L N 6.026 127.155 121.223 -0.158 0.000 2.295 635 L HA 0.547 4.887 4.340 0.001 0.000 0.285 635 L C -0.798 176.043 176.870 -0.048 0.000 1.035 635 L CA -0.634 54.173 54.840 -0.055 0.000 0.806 635 L CB 1.384 43.457 42.059 0.023 0.000 1.214 635 L HN 0.513 nan 8.230 nan 0.000 0.426 636 L N 2.917 124.125 121.223 -0.026 0.000 2.333 636 L HA 0.688 5.029 4.340 0.001 0.000 0.280 636 L C -0.019 176.860 176.870 0.014 0.000 1.004 636 L CA -0.055 54.788 54.840 0.004 0.000 0.820 636 L CB 2.012 44.074 42.059 0.004 0.000 1.247 636 L HN 0.646 nan 8.230 nan 0.000 0.416 637 T N 1.638 116.200 114.554 0.013 0.000 2.647 637 T HA 0.916 5.266 4.350 0.001 0.000 0.295 637 T C -1.834 172.872 174.700 0.009 0.000 1.126 637 T CA -0.134 61.983 62.100 0.028 0.000 1.040 637 T CB 2.045 70.943 68.868 0.049 0.000 1.472 637 T HN 0.735 nan 8.240 nan 0.000 0.500 638 A N 0.673 123.516 122.820 0.039 0.000 2.604 638 A HA 0.595 4.916 4.320 0.001 0.000 0.295 638 A C 0.018 177.650 177.584 0.081 0.000 1.067 638 A CA 0.025 52.089 52.037 0.045 0.000 0.683 638 A CB 1.246 20.289 19.000 0.072 0.000 1.281 638 A HN 0.855 nan 8.150 nan 0.000 0.407 639 D N -0.344 120.118 120.400 0.103 0.000 2.317 639 D HA -0.060 4.580 4.640 0.001 0.000 0.211 639 D C 0.509 176.831 176.300 0.037 0.000 0.966 639 D CA 1.643 55.689 54.000 0.077 0.000 0.876 639 D CB -0.243 40.596 40.800 0.065 0.000 0.927 639 D HN 0.590 nan 8.370 nan 0.000 0.519 640 H N -0.502 118.602 119.070 0.057 0.000 2.487 640 H HA 0.232 4.789 4.556 0.001 0.000 0.290 640 H C -0.562 174.822 175.328 0.093 0.000 1.081 640 H CA -0.676 55.418 56.048 0.077 0.000 1.116 640 H CB -0.001 29.808 29.762 0.078 0.000 1.560 640 H HN -0.003 nan 8.280 nan 0.000 0.548 641 D N 1.719 122.226 120.400 0.179 0.000 2.416 641 D HA -0.041 4.599 4.640 0.001 0.000 0.240 641 D C 0.211 176.597 176.300 0.143 0.000 1.250 641 D CA -0.087 54.023 54.000 0.183 0.000 0.967 641 D CB 0.229 41.156 40.800 0.211 0.000 1.059 641 D HN 0.411 nan 8.370 nan 0.000 0.512 642 D N 1.919 122.391 120.400 0.121 0.000 2.328 642 D HA -0.026 4.614 4.640 0.001 0.000 0.221 642 D C 1.535 177.883 176.300 0.081 0.000 1.072 642 D CA -0.167 53.883 54.000 0.084 0.000 0.850 642 D CB 0.238 41.067 40.800 0.049 0.000 0.922 642 D HN 0.173 nan 8.370 nan 0.000 0.516 643 R N 0.633 121.175 120.500 0.071 0.000 2.051 643 R HA 0.137 4.477 4.340 0.001 0.000 0.225 643 R C 0.037 176.433 176.300 0.161 0.000 1.155 643 R CA 0.947 57.062 56.100 0.025 0.000 0.945 643 R CB -0.253 29.838 30.300 -0.348 0.000 0.840 643 R HN 0.033 nan 8.270 nan 0.000 0.432 644 V N 3.422 123.383 119.914 0.080 0.000 2.293 644 V HA 0.258 4.378 4.120 0.001 0.000 0.275 644 V C -0.452 175.812 176.094 0.283 0.000 1.021 644 V CA -1.054 61.407 62.300 0.268 0.000 0.815 644 V CB 1.070 32.971 31.823 0.129 0.000 1.025 644 V HN 0.253 nan 8.190 nan 0.000 0.448 645 V N 4.589 124.698 119.914 0.325 0.000 2.617 645 V HA 0.151 4.271 4.120 0.001 0.000 0.304 645 V C -0.981 175.201 176.094 0.146 0.000 1.040 645 V CA -0.743 61.652 62.300 0.158 0.000 1.149 645 V CB 0.262 32.075 31.823 -0.017 0.000 0.914 645 V HN 0.629 nan 8.190 nan 0.000 0.487 646 P HA -0.141 nan 4.420 nan 0.000 0.223 646 P C 1.574 178.868 177.300 -0.009 0.000 1.144 646 P CA 1.212 64.343 63.100 0.052 0.000 0.783 646 P CB -0.118 31.597 31.700 0.025 0.000 0.771 647 L N -2.923 118.224 121.223 -0.128 0.000 2.189 647 L HA -0.188 4.153 4.340 0.001 0.000 0.214 647 L C 2.374 179.125 176.870 -0.199 0.000 1.097 647 L CA 1.931 56.626 54.840 -0.242 0.000 0.764 647 L CB -2.248 39.566 42.059 -0.409 0.000 0.900 647 L HN 0.005 nan 8.230 nan 0.000 0.436 648 H N 0.423 119.457 119.070 -0.060 0.000 2.267 648 H HA -0.101 4.456 4.556 0.001 0.000 0.297 648 H C 2.393 177.732 175.328 0.018 0.000 1.080 648 H CA 2.019 58.063 56.048 -0.007 0.000 1.278 648 H CB -0.270 29.512 29.762 0.032 0.000 1.365 648 H HN 0.494 nan 8.280 nan 0.000 0.489 649 S N 0.587 116.386 115.700 0.165 0.000 2.387 649 S HA -0.029 4.442 4.470 0.001 0.000 0.226 649 S C 2.519 177.183 174.600 0.108 0.000 1.026 649 S CA 0.298 58.594 58.200 0.160 0.000 0.972 649 S CB -0.125 63.147 63.200 0.119 0.000 0.814 649 S HN 0.210 nan 8.310 nan 0.000 0.477 650 L N 1.372 122.611 121.223 0.025 0.000 1.970 650 L HA -0.173 4.168 4.340 0.001 0.000 0.212 650 L C 2.474 179.216 176.870 -0.215 0.000 1.071 650 L CA 1.433 56.241 54.840 -0.053 0.000 0.751 650 L CB -0.602 41.334 42.059 -0.206 0.000 0.889 650 L HN 0.260 nan 8.230 nan 0.000 0.432 651 K N -0.728 119.535 120.400 -0.229 0.000 2.097 651 K HA -0.190 4.131 4.320 0.001 0.000 0.206 651 K C 2.115 178.672 176.600 -0.071 0.000 1.049 651 K CA 1.296 57.448 56.287 -0.224 0.000 0.933 651 K CB -0.271 32.144 32.500 -0.141 0.000 0.717 651 K HN 0.096 nan 8.250 nan 0.000 0.442 652 F N 1.786 121.653 119.950 -0.138 0.000 2.146 652 F HA -0.151 4.376 4.527 0.001 0.000 0.298 652 F C 2.047 177.782 175.800 -0.109 0.000 1.096 652 F CA 0.702 58.643 58.000 -0.098 0.000 1.275 652 F CB -0.330 38.639 39.000 -0.052 0.000 1.008 652 F HN -0.141 nan 8.300 nan 0.000 0.480 653 I N 0.464 120.933 120.570 -0.169 0.000 2.252 653 I HA -0.123 4.047 4.170 0.001 0.000 0.245 653 I C 2.469 178.416 176.117 -0.284 0.000 1.102 653 I CA 1.530 62.666 61.300 -0.273 0.000 1.385 653 I CB -1.015 36.910 38.000 -0.126 0.000 1.064 653 I HN 0.126 nan 8.210 nan 0.000 0.414 654 A N -0.769 121.895 122.820 -0.261 0.000 1.917 654 A HA -0.265 4.056 4.320 0.001 0.000 0.219 654 A C 2.363 179.656 177.584 -0.486 0.000 1.182 654 A CA 2.680 54.405 52.037 -0.521 0.000 0.633 654 A CB -1.434 16.829 19.000 -1.229 0.000 0.819 654 A HN 0.469 nan 8.150 nan 0.000 0.448 655 T N 0.262 114.619 114.554 -0.328 0.000 2.777 655 T HA -0.049 4.302 4.350 0.001 0.000 0.266 655 T C 1.834 176.447 174.700 -0.145 0.000 1.040 655 T CA 1.389 63.458 62.100 -0.052 0.000 1.141 655 T CB -0.374 68.522 68.868 0.046 0.000 0.868 655 T HN 0.360 nan 8.240 nan 0.000 0.444 656 L N 0.748 121.754 121.223 -0.362 0.000 2.012 656 L HA -0.179 4.161 4.340 0.001 0.000 0.210 656 L C 2.926 179.585 176.870 -0.352 0.000 1.073 656 L CA 1.538 56.123 54.840 -0.426 0.000 0.748 656 L CB -0.561 41.160 42.059 -0.563 0.000 0.891 656 L HN 0.297 nan 8.230 nan 0.000 0.431 657 Q N -1.558 118.011 119.800 -0.385 0.000 2.124 657 Q HA -0.241 4.099 4.340 0.001 0.000 0.202 657 Q C 2.020 177.922 176.000 -0.163 0.000 0.977 657 Q CA 1.787 57.314 55.803 -0.461 0.000 0.850 657 Q CB -0.151 28.201 28.738 -0.642 0.000 0.901 657 Q HN 0.483 nan 8.270 nan 0.000 0.429 658 Y N 0.238 120.448 120.300 -0.150 0.000 2.206 658 Y HA -0.143 4.407 4.550 0.001 0.000 0.292 658 Y C 1.787 177.664 175.900 -0.038 0.000 1.123 658 Y CA 0.963 59.050 58.100 -0.022 0.000 1.142 658 Y CB 0.117 38.640 38.460 0.105 0.000 1.006 658 Y HN -0.018 nan 8.280 nan 0.000 0.518 659 I N -1.162 119.420 120.570 0.020 0.000 2.439 659 I HA -0.169 4.001 4.170 0.001 0.000 0.251 659 I C 1.801 177.808 176.117 -0.185 0.000 1.139 659 I CA 0.993 62.255 61.300 -0.064 0.000 1.438 659 I CB -0.230 37.769 38.000 -0.002 0.000 1.085 659 I HN 0.165 nan 8.210 nan 0.000 0.427 660 V N -1.212 118.558 119.914 -0.239 0.000 3.058 660 V HA 0.244 4.364 4.120 0.001 0.000 0.233 660 V C 2.260 178.256 176.094 -0.162 0.000 1.255 660 V CA 0.917 63.051 62.300 -0.277 0.000 1.267 660 V CB -0.570 30.916 31.823 -0.560 0.000 1.049 660 V HN 0.309 nan 8.190 nan 0.000 0.486 661 G N 0.294 109.006 108.800 -0.147 0.000 2.462 661 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 661 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 661 G C 1.607 176.566 174.900 0.099 0.000 1.121 661 G CA 0.768 45.883 45.100 0.026 0.000 0.758 661 G HN 0.390 nan 8.290 nan 0.000 0.559 662 R N 0.067 120.553 120.500 -0.024 0.000 2.193 662 R HA 0.092 4.433 4.340 0.001 0.000 0.213 662 R C 1.410 177.680 176.300 -0.050 0.000 1.055 662 R CA 0.278 56.353 56.100 -0.042 0.000 0.995 662 R CB -0.076 30.119 30.300 -0.175 0.000 0.893 662 R HN 0.317 nan 8.270 nan 0.000 0.459 663 S N 0.347 116.013 115.700 -0.058 0.000 2.549 663 S HA 0.044 4.515 4.470 0.001 0.000 0.283 663 S C 1.037 175.624 174.600 -0.022 0.000 1.320 663 S CA -0.382 57.791 58.200 -0.045 0.000 1.058 663 S CB 0.978 64.150 63.200 -0.046 0.000 0.882 663 S HN 0.182 nan 8.310 nan 0.000 0.498 664 R N 2.656 123.143 120.500 -0.021 0.000 2.115 664 R HA -0.071 4.269 4.340 0.001 0.000 0.230 664 R C 2.121 178.415 176.300 -0.010 0.000 1.111 664 R CA 1.713 57.802 56.100 -0.018 0.000 0.976 664 R CB -0.207 30.082 30.300 -0.017 0.000 0.870 664 R HN 0.812 nan 8.270 nan 0.000 0.445 665 K N 0.505 120.903 120.400 -0.003 0.000 2.439 665 K HA -0.094 4.227 4.320 0.001 0.000 0.197 665 K C 0.675 177.287 176.600 0.020 0.000 1.041 665 K CA 0.611 56.903 56.287 0.009 0.000 0.970 665 K CB 0.184 32.692 32.500 0.015 0.000 0.773 665 K HN -0.106 nan 8.250 nan 0.000 0.479 666 Q N 1.923 121.735 119.800 0.020 0.000 2.344 666 Q HA 0.153 4.493 4.340 0.001 0.000 0.253 666 Q C -0.800 175.219 176.000 0.032 0.000 1.050 666 Q CA 0.191 56.019 55.803 0.040 0.000 0.912 666 Q CB 0.907 29.667 28.738 0.037 0.000 1.258 666 Q HN 0.403 nan 8.270 nan 0.000 0.443 667 N N 2.186 120.906 118.700 0.033 0.000 2.273 667 N HA 0.112 4.853 4.740 0.001 0.000 0.192 667 N C -0.675 174.854 175.510 0.031 0.000 1.132 667 N CA -0.298 52.757 53.050 0.008 0.000 0.887 667 N CB 0.480 38.968 38.487 0.000 0.000 1.048 667 N HN 0.409 nan 8.380 nan 0.000 0.490 668 N N 2.753 121.496 118.700 0.073 0.000 2.497 668 N HA 0.129 4.869 4.740 0.001 0.000 0.268 668 N C -2.491 173.103 175.510 0.140 0.000 1.171 668 N CA -1.052 52.058 53.050 0.100 0.000 0.948 668 N CB 0.400 38.961 38.487 0.123 0.000 1.069 668 N HN 0.136 nan 8.380 nan 0.000 0.460 669 P HA 0.151 nan 4.420 nan 0.000 0.271 669 P C -0.688 176.764 177.300 0.253 0.000 1.218 669 P CA -0.037 63.189 63.100 0.210 0.000 0.780 669 P CB 0.795 32.476 31.700 -0.030 0.000 0.901 670 L N 3.600 124.980 121.223 0.261 0.000 2.388 670 L HA 0.493 4.833 4.340 0.001 0.000 0.267 670 L C -0.047 176.799 176.870 -0.039 0.000 0.995 670 L CA -0.304 54.566 54.840 0.049 0.000 0.864 670 L CB 0.934 42.924 42.059 -0.116 0.000 1.216 670 L HN 0.222 nan 8.230 nan 0.000 0.430 671 L N 3.782 124.963 121.223 -0.071 0.000 2.371 671 L HA 0.662 5.003 4.340 0.001 0.000 0.262 671 L C -0.906 175.873 176.870 -0.151 0.000 1.006 671 L CA -0.679 54.087 54.840 -0.123 0.000 0.818 671 L CB 3.276 45.251 42.059 -0.140 0.000 1.354 671 L HN 0.473 nan 8.230 nan 0.000 0.415 672 I N 0.424 120.921 120.570 -0.122 0.000 2.608 672 I HA 0.414 4.584 4.170 0.001 0.000 0.295 672 I C -1.280 174.832 176.117 -0.010 0.000 1.049 672 I CA -0.339 60.916 61.300 -0.075 0.000 1.063 672 I CB 2.185 40.151 38.000 -0.056 0.000 1.248 672 I HN 0.644 nan 8.210 nan 0.000 0.424 673 H N 6.816 125.832 119.070 -0.090 0.000 2.547 673 H HA 0.498 5.055 4.556 0.001 0.000 0.342 673 H C -1.827 173.486 175.328 -0.026 0.000 1.048 673 H CA -0.642 55.370 56.048 -0.060 0.000 1.204 673 H CB 2.011 31.740 29.762 -0.056 0.000 1.493 673 H HN 0.356 nan 8.280 nan 0.000 0.511 674 V N 5.646 125.260 119.914 -0.499 0.000 2.328 674 V HA 0.040 4.161 4.120 0.001 0.000 0.278 674 V C 0.330 176.107 176.094 -0.528 0.000 1.021 674 V CA -0.720 61.364 62.300 -0.361 0.000 0.838 674 V CB 1.073 32.807 31.823 -0.148 0.000 0.999 674 V HN 0.744 nan 8.190 nan 0.000 0.447 675 D N 3.460 123.646 120.400 -0.357 0.000 2.344 675 D HA 0.373 5.013 4.640 0.001 0.000 0.244 675 D C 0.429 176.705 176.300 -0.041 0.000 1.134 675 D CA 0.144 54.045 54.000 -0.165 0.000 0.930 675 D CB 1.520 42.320 40.800 -0.000 0.000 1.175 675 D HN 0.691 nan 8.370 nan 0.000 0.437 676 T N -1.193 113.367 114.554 0.011 0.000 2.925 676 T HA 0.405 4.756 4.350 0.001 0.000 0.285 676 T C 0.113 174.837 174.700 0.041 0.000 1.021 676 T CA -0.879 61.255 62.100 0.055 0.000 1.042 676 T CB 1.156 70.054 68.868 0.051 0.000 1.037 676 T HN 0.497 nan 8.240 nan 0.000 0.481 677 K N -0.513 119.897 120.400 0.017 0.000 3.069 677 K HA -0.097 4.223 4.320 0.001 0.000 0.267 677 K C 0.009 176.559 176.600 -0.083 0.000 1.082 677 K CA 0.671 56.874 56.287 -0.140 0.000 0.782 677 K CB -2.106 30.342 32.500 -0.087 0.000 1.230 677 K HN 1.038 nan 8.250 nan 0.000 0.488 678 A N -0.707 122.115 122.820 0.003 0.000 2.566 678 A HA 0.871 5.192 4.320 0.001 0.000 0.292 678 A C 0.262 177.913 177.584 0.112 0.000 1.112 678 A CA -0.057 52.007 52.037 0.044 0.000 0.707 678 A CB 2.027 21.057 19.000 0.050 0.000 1.302 678 A HN 0.247 nan 8.150 nan 0.000 0.409 679 G N -1.303 107.566 108.800 0.116 0.000 3.214 679 G HA2 0.403 4.363 3.960 0.001 0.000 0.188 679 G HA3 0.403 4.363 3.960 0.001 0.000 0.188 679 G C 0.446 175.446 174.900 0.167 0.000 1.126 679 G CA 0.453 45.651 45.100 0.164 0.000 0.796 679 G HN 0.867 nan 8.290 nan 0.000 0.631 680 H N -0.656 118.463 119.070 0.081 0.000 2.457 680 H HA 0.185 4.741 4.556 0.001 0.000 0.294 680 H C 1.862 177.223 175.328 0.056 0.000 1.064 680 H CA 2.717 58.806 56.048 0.069 0.000 1.330 680 H CB 0.309 30.116 29.762 0.075 0.000 1.395 680 H HN 0.794 nan 8.280 nan 0.000 0.541 681 G N -1.877 106.959 108.800 0.061 0.000 3.611 681 G HA2 -0.038 3.922 3.960 0.001 0.000 0.217 681 G HA3 -0.038 3.922 3.960 0.001 0.000 0.217 681 G C 0.215 175.141 174.900 0.044 0.000 1.023 681 G CA -0.118 44.986 45.100 0.007 0.000 0.887 681 G HN 0.572 nan 8.290 nan 0.000 0.420 682 A N 0.733 123.596 122.820 0.071 0.000 2.511 682 A HA 0.565 4.885 4.320 0.001 0.000 0.242 682 A C 1.892 179.512 177.584 0.060 0.000 1.069 682 A CA 1.613 53.687 52.037 0.063 0.000 0.763 682 A CB -0.266 18.779 19.000 0.075 0.000 1.001 682 A HN 2.378 nan 8.150 nan 0.000 0.498 683 G N 1.190 110.019 108.800 0.049 0.000 2.168 683 G HA2 -0.291 3.669 3.960 0.001 0.000 0.263 683 G HA3 -0.291 3.669 3.960 0.001 0.000 0.263 683 G C 0.403 175.332 174.900 0.048 0.000 0.977 683 G CA 0.782 45.912 45.100 0.050 0.000 0.659 683 G HN 1.031 nan 8.290 nan 0.000 0.533 684 K N 1.741 122.170 120.400 0.048 0.000 2.447 684 K HA 0.272 4.592 4.320 0.001 0.000 0.281 684 K C -1.561 175.067 176.600 0.048 0.000 1.031 684 K CA -1.094 55.220 56.287 0.045 0.000 1.019 684 K CB 0.566 33.093 32.500 0.045 0.000 0.918 684 K HN 0.133 nan 8.250 nan 0.000 0.476 685 P HA -0.052 nan 4.420 nan 0.000 0.266 685 P C 0.232 177.561 177.300 0.048 0.000 1.195 685 P CA 0.011 63.138 63.100 0.044 0.000 0.768 685 P CB 0.640 32.360 31.700 0.033 0.000 0.838 686 T N 2.226 116.817 114.554 0.062 0.000 2.685 686 T HA -0.260 4.090 4.350 0.001 0.000 0.268 686 T C 1.841 176.548 174.700 0.012 0.000 1.034 686 T CA 2.385 64.527 62.100 0.070 0.000 1.149 686 T CB -0.660 68.271 68.868 0.105 0.000 0.860 686 T HN 0.565 nan 8.240 nan 0.000 0.449 687 A N 1.404 124.232 122.820 0.013 0.000 1.902 687 A HA -0.127 4.193 4.320 0.001 0.000 0.217 687 A C 2.287 179.869 177.584 -0.004 0.000 1.181 687 A CA 1.610 53.645 52.037 -0.003 0.000 0.623 687 A CB -0.397 18.608 19.000 0.008 0.000 0.818 687 A HN 0.478 nan 8.150 nan 0.000 0.443 688 K N -0.550 119.858 120.400 0.013 0.000 2.155 688 K HA 0.016 4.337 4.320 0.001 0.000 0.203 688 K C 1.867 178.479 176.600 0.020 0.000 1.052 688 K CA 1.037 57.339 56.287 0.024 0.000 0.948 688 K CB -0.230 32.292 32.500 0.035 0.000 0.728 688 K HN 0.305 nan 8.250 nan 0.000 0.448 689 V N 1.996 121.919 119.914 0.015 0.000 2.255 689 V HA -0.276 3.844 4.120 0.001 0.000 0.247 689 V C 2.183 178.262 176.094 -0.025 0.000 1.051 689 V CA 1.740 64.047 62.300 0.013 0.000 1.018 689 V CB -0.376 31.470 31.823 0.039 0.000 0.641 689 V HN 0.263 nan 8.190 nan 0.000 0.445 690 I N -0.348 120.165 120.570 -0.095 0.000 2.163 690 I HA -0.217 3.954 4.170 0.001 0.000 0.243 690 I C 2.680 178.787 176.117 -0.016 0.000 1.085 690 I CA 1.370 62.602 61.300 -0.113 0.000 1.347 690 I CB -0.498 37.394 38.000 -0.180 0.000 1.044 690 I HN 0.316 nan 8.210 nan 0.000 0.408 691 E N 0.609 120.802 120.200 -0.011 0.000 2.070 691 E HA -0.303 4.047 4.350 0.001 0.000 0.197 691 E C 1.971 178.571 176.600 -0.000 0.000 1.004 691 E CA 1.615 58.014 56.400 -0.001 0.000 0.805 691 E CB -0.359 29.345 29.700 0.006 0.000 0.744 691 E HN 0.573 nan 8.360 nan 0.000 0.451 692 E N 0.524 120.734 120.200 0.016 0.000 2.031 692 E HA -0.148 4.202 4.350 0.001 0.000 0.193 692 E C 2.194 178.801 176.600 0.012 0.000 0.994 692 E CA 1.779 58.190 56.400 0.019 0.000 0.800 692 E CB 0.065 29.789 29.700 0.040 0.000 0.752 692 E HN 0.164 nan 8.360 nan 0.000 0.447 693 V N -1.360 118.586 119.914 0.053 0.000 2.667 693 V HA -0.094 4.027 4.120 0.001 0.000 0.252 693 V C 2.067 178.179 176.094 0.030 0.000 1.065 693 V CA 1.747 64.110 62.300 0.105 0.000 1.083 693 V CB -0.200 31.770 31.823 0.245 0.000 0.692 693 V HN 0.137 nan 8.190 nan 0.000 0.468 694 S N 0.856 116.569 115.700 0.021 0.000 2.368 694 S HA -0.188 4.282 4.470 0.001 0.000 0.225 694 S C 1.673 176.227 174.600 -0.078 0.000 1.030 694 S CA 1.830 60.000 58.200 -0.050 0.000 0.999 694 S CB -0.556 62.692 63.200 0.079 0.000 0.844 694 S HN 0.719 nan 8.310 nan 0.000 0.459 695 D N 1.366 121.736 120.400 -0.050 0.000 2.104 695 D HA -0.071 4.569 4.640 0.001 0.000 0.194 695 D C 1.924 178.211 176.300 -0.022 0.000 0.994 695 D CA 1.093 55.066 54.000 -0.044 0.000 0.830 695 D CB -0.329 40.417 40.800 -0.091 0.000 0.959 695 D HN 0.353 nan 8.370 nan 0.000 0.452 696 M N -0.544 119.000 119.600 -0.093 0.000 2.065 696 M HA -0.167 4.313 4.480 0.001 0.000 0.259 696 M C 2.090 178.259 176.300 -0.219 0.000 1.069 696 M CA 1.448 56.637 55.300 -0.185 0.000 1.110 696 M CB -0.343 32.050 32.600 -0.345 0.000 1.328 696 M HN -0.033 nan 8.290 nan 0.000 0.405 697 F N -0.155 119.694 119.950 -0.169 0.000 2.325 697 F HA -0.014 4.513 4.527 0.001 0.000 0.299 697 F C 2.539 178.323 175.800 -0.026 0.000 1.090 697 F CA 0.993 58.892 58.000 -0.169 0.000 1.392 697 F CB -0.875 37.795 39.000 -0.550 0.000 1.053 697 F HN 0.113 nan 8.300 nan 0.000 0.521 698 A N -0.124 122.744 122.820 0.081 0.000 1.902 698 A HA -0.219 4.101 4.320 0.001 0.000 0.217 698 A C 2.090 179.757 177.584 0.138 0.000 1.181 698 A CA 1.352 53.448 52.037 0.099 0.000 0.623 698 A CB -1.322 17.704 19.000 0.044 0.000 0.818 698 A HN 0.376 nan 8.150 nan 0.000 0.443 699 F N 0.686 120.662 119.950 0.043 0.000 2.095 699 F HA -0.186 4.342 4.527 0.001 0.000 0.298 699 F C 2.003 177.884 175.800 0.136 0.000 1.104 699 F CA 1.838 59.912 58.000 0.123 0.000 1.232 699 F CB -0.245 38.818 39.000 0.105 0.000 0.987 699 F HN 0.190 nan 8.300 nan 0.000 0.475 700 I N 0.129 120.826 120.570 0.212 0.000 2.127 700 I HA -0.360 3.811 4.170 0.001 0.000 0.241 700 I C 2.735 178.950 176.117 0.163 0.000 1.075 700 I CA 1.329 62.735 61.300 0.177 0.000 1.334 700 I CB -1.079 37.072 38.000 0.252 0.000 1.040 700 I HN 0.240 nan 8.210 nan 0.000 0.405 701 A N 1.742 124.689 122.820 0.211 0.000 1.892 701 A HA -0.277 4.044 4.320 0.001 0.000 0.218 701 A C 2.372 180.009 177.584 0.088 0.000 1.188 701 A CA 2.521 54.674 52.037 0.192 0.000 0.631 701 A CB -0.806 18.325 19.000 0.218 0.000 0.822 701 A HN 0.591 nan 8.150 nan 0.000 0.447 702 R N -1.394 119.111 120.500 0.008 0.000 2.161 702 R HA 0.015 4.355 4.340 0.001 0.000 0.213 702 R C 1.920 178.194 176.300 -0.043 0.000 1.055 702 R CA 1.393 57.463 56.100 -0.050 0.000 0.996 702 R CB -0.977 29.224 30.300 -0.165 0.000 0.901 702 R HN 0.407 nan 8.270 nan 0.000 0.456 703 C N 1.077 120.322 119.300 -0.091 0.000 2.464 703 C HA 0.195 4.655 4.460 0.001 0.000 0.278 703 C C 2.221 177.213 174.990 0.004 0.000 1.375 703 C CA 0.191 59.162 59.018 -0.079 0.000 1.761 703 C CB -0.603 26.984 27.740 -0.255 0.000 1.944 703 C HN 0.480 nan 8.230 nan 0.000 0.509 704 L N 0.517 121.766 121.223 0.044 0.000 2.567 704 L HA 0.135 4.475 4.340 0.001 0.000 0.225 704 L C 0.618 177.531 176.870 0.072 0.000 1.119 704 L CA 0.263 55.151 54.840 0.081 0.000 0.871 704 L CB -0.636 41.506 42.059 0.138 0.000 1.036 704 L HN 0.311 nan 8.230 nan 0.000 0.459 705 N N 1.710 120.444 118.700 0.057 0.000 2.708 705 N HA -0.202 4.539 4.740 0.001 0.000 0.255 705 N C -0.604 174.950 175.510 0.075 0.000 1.046 705 N CA 0.450 53.532 53.050 0.053 0.000 0.715 705 N CB -1.215 37.296 38.487 0.039 0.000 0.895 705 N HN 0.326 nan 8.380 nan 0.000 0.545 706 I N 0.451 121.084 120.570 0.105 0.000 2.353 706 I HA 0.198 4.369 4.170 0.001 0.000 0.293 706 I C 0.421 176.621 176.117 0.137 0.000 0.992 706 I CA -0.827 60.546 61.300 0.122 0.000 1.268 706 I CB 0.916 39.014 38.000 0.164 0.000 1.387 706 I HN 0.063 nan 8.210 nan 0.000 0.478 707 D N 5.814 126.285 120.400 0.118 0.000 2.389 707 D HA -0.016 4.624 4.640 0.001 0.000 0.247 707 D C -0.327 176.091 176.300 0.197 0.000 1.128 707 D CA -0.117 53.971 54.000 0.147 0.000 0.884 707 D CB 1.068 41.929 40.800 0.102 0.000 1.194 707 D HN 0.423 nan 8.370 nan 0.000 0.441 708 W N 3.905 125.243 121.300 0.064 0.000 2.264 708 W HA 0.117 4.777 4.660 0.001 0.000 0.331 708 W C -0.752 175.813 176.519 0.078 0.000 1.364 708 W CA -0.241 57.151 57.345 0.078 0.000 1.253 708 W CB 0.337 29.833 29.460 0.061 0.000 1.215 708 W HN 0.291 nan 8.180 nan 0.000 0.561 709 I N 9.617 129.936 120.570 -0.418 0.000 2.306 709 I HA 0.144 4.315 4.170 0.001 0.000 0.288 709 I C -1.718 174.196 176.117 -0.338 0.000 1.036 709 I CA -2.136 58.995 61.300 -0.281 0.000 1.221 709 I CB 0.847 38.705 38.000 -0.237 0.000 1.385 709 I HN 0.106 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 63.207 63.100 0.178 0.000 0.800 710 P CB 0.000 31.822 31.700 0.202 0.000 0.726