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 1un9_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASQFFFNQRT HLVSDVIDGA IIASPWNNLA RLESDPAIRI VVRRDLNKNN DATA SEQUENCE VAVISGGGSG HEPAHVGFIG KGMLTAAVCG DVFASPSVDA VLTAIQAVTG DATA SEQUENCE EAGCLLIVKN YTGDRLNFGL AAEKARRLGY NVEMLIVGDD ISLPDNKHPR DATA SEQUENCE GIAGTILVHK IAGYFAERGY NLATVLREAQ YAASNTFSLG VALSSCHLPQ DATA SEQUENCE ETDAAPRHHP GHAELGMGIH GEPGASVIDT QNSAQVVNLM VDKLLAALPE DATA SEQUENCE TGRLAVMINN LGGVSVAEMA IITRELASSP LHSRIDWLIG PASLVTALDM DATA SEQUENCE KGFSLTAIVL EESIEKALLT EVETSNWPTP VPPREITCVV SSHASARVEF DATA SEQUENCE QPSANALVAG IVELVTATLS DLETHLNALD AKVGDGDTGS TFAAAAREIA DATA SEQUENCE SLLHRQQLPL NNLATLFALI GERLTVVMGG SSGVLMSIFF TAAGQKLEQG DATA SEQUENCE ANVVEALNTG LAQMKFYGGA DEGDRTMIDA LQPALTSLLA QPKNLQAAFD DATA SEQUENCE AAQAGAERTC LSSKAXXXXX XXXXXXXXLG NMDPGAQALA MVFKALAESE 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.606 177.584 0.037 0.000 1.274 1 A CA 0.000 52.048 52.037 0.019 0.000 0.836 1 A CB 0.000 19.006 19.000 0.010 0.000 0.831 2 S N 0.563 116.282 115.700 0.032 0.000 3.319 2 S HA 0.740 5.210 4.470 -0.000 0.000 0.310 2 S C -1.012 173.573 174.600 -0.025 0.000 1.223 2 S CA -0.280 57.954 58.200 0.058 0.000 1.189 2 S CB 1.113 64.384 63.200 0.118 0.000 1.514 2 S HN 1.107 nan 8.310 nan 0.000 0.554 3 Q N -0.117 119.665 119.800 -0.030 0.000 4.082 3 Q HA 0.420 4.760 4.340 -0.000 0.000 0.180 3 Q C -2.299 173.630 176.000 -0.119 0.000 0.863 3 Q CA 0.082 55.750 55.803 -0.226 0.000 0.772 3 Q CB 1.026 29.420 28.738 -0.573 0.000 1.527 3 Q HN 0.557 nan 8.270 nan 0.000 0.441 4 F N 0.447 120.302 119.950 -0.158 0.000 2.574 4 F HA 0.485 5.012 4.527 -0.000 0.000 0.313 4 F C -1.163 174.662 175.800 0.041 0.000 1.130 4 F CA -0.588 57.413 58.000 0.001 0.000 0.936 4 F CB 1.297 40.444 39.000 0.244 0.000 1.219 4 F HN 0.138 nan 8.300 nan 0.000 0.445 5 F N 7.603 127.554 119.950 0.001 0.000 2.434 5 F HA 0.398 4.925 4.527 -0.000 0.000 0.358 5 F C -0.465 175.532 175.800 0.328 0.000 1.136 5 F CA -0.364 57.670 58.000 0.057 0.000 1.157 5 F CB 0.298 39.253 39.000 -0.075 0.000 1.167 5 F HN 0.337 nan 8.300 nan 0.000 0.539 6 F N 2.031 122.191 119.950 0.350 0.000 2.725 6 F HA 0.397 4.924 4.527 -0.000 0.000 0.309 6 F C -0.722 175.179 175.800 0.168 0.000 1.132 6 F CA -1.200 56.968 58.000 0.279 0.000 0.957 6 F CB 0.848 40.064 39.000 0.359 0.000 1.286 6 F HN 0.195 nan 8.300 nan 0.000 0.440 7 N N 0.451 119.290 118.700 0.231 0.000 2.219 7 N HA 0.142 4.882 4.740 -0.000 0.000 0.238 7 N C -0.522 175.081 175.510 0.155 0.000 1.061 7 N CA 0.670 53.758 53.050 0.063 0.000 1.162 7 N CB 0.159 38.687 38.487 0.069 0.000 1.518 7 N HN 0.635 nan 8.380 nan 0.000 0.609 8 Q N 1.484 121.417 119.800 0.223 0.000 2.323 8 Q HA 0.083 4.423 4.340 -0.000 0.000 0.257 8 Q C 0.451 176.662 176.000 0.353 0.000 1.022 8 Q CA -0.107 55.854 55.803 0.264 0.000 0.919 8 Q CB 1.521 30.425 28.738 0.276 0.000 1.220 8 Q HN 0.375 nan 8.270 nan 0.000 0.427 9 R N 2.680 123.405 120.500 0.375 0.000 2.134 9 R HA -0.211 4.129 4.340 -0.000 0.000 0.248 9 R C 1.939 178.263 176.300 0.039 0.000 1.143 9 R CA 2.753 58.953 56.100 0.167 0.000 0.957 9 R CB -0.742 29.617 30.300 0.097 0.000 0.867 9 R HN 0.748 nan 8.270 nan 0.000 0.441 10 T N -2.448 112.143 114.554 0.062 0.000 3.007 10 T HA -0.094 4.256 4.350 -0.000 0.000 0.270 10 T C 1.219 175.852 174.700 -0.112 0.000 1.107 10 T CA 1.232 63.305 62.100 -0.046 0.000 1.118 10 T CB -0.374 68.442 68.868 -0.086 0.000 0.889 10 T HN 0.441 nan 8.240 nan 0.000 0.506 11 H N -0.044 119.048 119.070 0.036 0.000 2.549 11 H HA 0.304 4.860 4.556 -0.000 0.000 0.279 11 H C 1.841 177.194 175.328 0.041 0.000 1.018 11 H CA -0.321 55.750 56.048 0.038 0.000 1.175 11 H CB 0.317 30.110 29.762 0.052 0.000 1.485 11 H HN 0.192 nan 8.280 nan 0.000 0.543 12 L N 1.226 122.515 121.223 0.110 0.000 1.941 12 L HA -0.229 4.111 4.340 -0.000 0.000 0.224 12 L C 2.207 179.105 176.870 0.047 0.000 1.081 12 L CA 1.682 56.555 54.840 0.055 0.000 0.784 12 L CB -1.000 40.993 42.059 -0.110 0.000 0.894 12 L HN 0.038 nan 8.230 nan 0.000 0.436 13 V N -0.141 119.771 119.914 -0.003 0.000 2.250 13 V HA -0.362 3.758 4.120 -0.000 0.000 0.253 13 V C 2.957 179.075 176.094 0.040 0.000 1.065 13 V CA 2.207 64.511 62.300 0.007 0.000 1.039 13 V CB -1.182 30.634 31.823 -0.011 0.000 0.647 13 V HN 0.700 nan 8.190 nan 0.000 0.446 14 S N 0.001 115.730 115.700 0.049 0.000 2.359 14 S HA -0.301 4.169 4.470 -0.000 0.000 0.222 14 S C 1.737 176.385 174.600 0.081 0.000 1.038 14 S CA 2.279 60.520 58.200 0.068 0.000 1.051 14 S CB -0.654 62.605 63.200 0.098 0.000 0.944 14 S HN 0.682 nan 8.310 nan 0.000 0.433 15 D N 0.543 121.005 120.400 0.104 0.000 2.172 15 D HA -0.103 4.537 4.640 -0.000 0.000 0.196 15 D C 1.967 178.311 176.300 0.074 0.000 0.999 15 D CA 1.365 55.421 54.000 0.093 0.000 0.856 15 D CB -0.552 40.318 40.800 0.116 0.000 0.934 15 D HN 0.353 nan 8.370 nan 0.000 0.453 16 V N 0.865 120.824 119.914 0.075 0.000 2.427 16 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 16 V C 2.322 178.449 176.094 0.054 0.000 1.051 16 V CA 0.844 63.183 62.300 0.065 0.000 1.048 16 V CB -0.258 31.605 31.823 0.065 0.000 0.666 16 V HN 0.204 nan 8.190 nan 0.000 0.456 17 I N 0.225 120.828 120.570 0.054 0.000 2.179 17 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 17 I C 2.355 178.498 176.117 0.044 0.000 1.088 17 I CA 1.600 62.930 61.300 0.050 0.000 1.357 17 I CB -1.307 36.722 38.000 0.049 0.000 1.051 17 I HN 0.353 nan 8.210 nan 0.000 0.409 18 D N 1.157 121.584 120.400 0.044 0.000 2.108 18 D HA -0.176 4.464 4.640 -0.000 0.000 0.190 18 D C 2.176 178.494 176.300 0.030 0.000 0.995 18 D CA 1.962 55.984 54.000 0.037 0.000 0.834 18 D CB -0.644 40.179 40.800 0.038 0.000 0.967 18 D HN 0.381 nan 8.370 nan 0.000 0.446 19 G N 0.579 109.397 108.800 0.029 0.000 2.479 19 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.220 19 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.220 19 G C 1.640 176.551 174.900 0.019 0.000 1.115 19 G CA 1.228 46.340 45.100 0.020 0.000 0.757 19 G HN 0.400 nan 8.290 nan 0.000 0.560 20 A N 0.474 123.309 122.820 0.026 0.000 1.929 20 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 20 A C 2.355 179.955 177.584 0.026 0.000 1.176 20 A CA 0.957 53.009 52.037 0.024 0.000 0.628 20 A CB -0.209 18.810 19.000 0.032 0.000 0.816 20 A HN 0.368 nan 8.150 nan 0.000 0.444 21 I N -0.003 120.585 120.570 0.030 0.000 2.193 21 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 21 I C 1.892 178.025 176.117 0.027 0.000 1.084 21 I CA 1.178 62.497 61.300 0.033 0.000 1.365 21 I CB -0.347 37.673 38.000 0.033 0.000 1.064 21 I HN 0.239 nan 8.210 nan 0.000 0.410 22 I N 1.085 121.667 120.570 0.019 0.000 2.908 22 I HA -0.250 3.920 4.170 -0.000 0.000 0.271 22 I C 1.769 177.890 176.117 0.006 0.000 1.275 22 I CA 0.928 62.235 61.300 0.011 0.000 1.446 22 I CB -0.529 37.474 38.000 0.006 0.000 1.092 22 I HN 0.241 nan 8.210 nan 0.000 0.482 23 A N -0.347 122.479 122.820 0.010 0.000 2.545 23 A HA 0.168 4.488 4.320 -0.000 0.000 0.263 23 A C 0.948 178.541 177.584 0.014 0.000 1.202 23 A CA -0.200 51.839 52.037 0.004 0.000 0.959 23 A CB 0.201 19.201 19.000 -0.001 0.000 1.124 23 A HN 0.193 nan 8.150 nan 0.000 0.543 24 S N 1.431 117.151 115.700 0.034 0.000 2.555 24 S HA 0.185 4.655 4.470 -0.000 0.000 0.293 24 S C -1.125 173.507 174.600 0.053 0.000 1.248 24 S CA -0.667 57.575 58.200 0.070 0.000 1.096 24 S CB 0.560 63.817 63.200 0.094 0.000 0.881 24 S HN 0.252 nan 8.310 nan 0.000 0.498 25 P HA -0.003 nan 4.420 nan 0.000 0.217 25 P C 0.091 177.263 177.300 -0.212 0.000 1.150 25 P CA 1.108 64.130 63.100 -0.130 0.000 0.832 25 P CB 0.059 31.641 31.700 -0.196 0.000 0.787 26 W N -1.785 119.519 121.300 0.007 0.000 3.330 26 W HA 0.295 4.955 4.660 -0.000 0.000 0.348 26 W C 0.491 177.014 176.519 0.007 0.000 1.205 26 W CA -0.310 57.040 57.345 0.009 0.000 1.841 26 W CB -1.493 27.974 29.460 0.013 0.000 1.084 26 W HN -0.075 nan 8.180 nan 0.000 0.665 27 N N 2.729 121.534 118.700 0.175 0.000 2.701 27 N HA -0.281 4.459 4.740 -0.000 0.000 0.252 27 N C 0.408 175.992 175.510 0.123 0.000 1.002 27 N CA 1.415 54.533 53.050 0.114 0.000 0.758 27 N CB -1.375 37.156 38.487 0.073 0.000 0.937 27 N HN 0.439 nan 8.380 nan 0.000 0.538 28 N N -0.761 118.029 118.700 0.148 0.000 2.214 28 N HA 0.092 4.832 4.740 -0.000 0.000 0.214 28 N C -0.076 175.470 175.510 0.060 0.000 1.132 28 N CA -0.084 53.024 53.050 0.096 0.000 0.856 28 N CB 0.045 38.581 38.487 0.082 0.000 1.020 28 N HN 0.356 nan 8.380 nan 0.000 0.509 29 L N 0.713 121.974 121.223 0.063 0.000 2.325 29 L HA 0.835 5.175 4.340 -0.000 0.000 0.278 29 L C -0.247 176.647 176.870 0.039 0.000 1.023 29 L CA -0.994 53.874 54.840 0.047 0.000 0.811 29 L CB 1.852 43.942 42.059 0.050 0.000 1.249 29 L HN 0.088 nan 8.230 nan 0.000 0.431 30 A N 2.626 125.465 122.820 0.033 0.000 2.488 30 A HA 0.614 4.934 4.320 -0.000 0.000 0.295 30 A C -0.955 176.645 177.584 0.026 0.000 1.045 30 A CA -0.762 51.292 52.037 0.029 0.000 0.703 30 A CB 1.323 20.338 19.000 0.026 0.000 1.271 30 A HN 0.722 nan 8.150 nan 0.000 0.400 31 R N 0.627 121.142 120.500 0.025 0.000 2.543 31 R HA 0.331 4.671 4.340 -0.000 0.000 0.277 31 R C -0.526 175.785 176.300 0.018 0.000 1.074 31 R CA -0.527 55.587 56.100 0.023 0.000 1.076 31 R CB 0.764 31.079 30.300 0.025 0.000 0.993 31 R HN 0.580 nan 8.270 nan 0.000 0.459 32 L N 2.723 123.954 121.223 0.014 0.000 2.278 32 L HA 0.113 4.453 4.340 -0.000 0.000 0.287 32 L C 0.273 177.147 176.870 0.006 0.000 1.072 32 L CA 0.175 55.020 54.840 0.008 0.000 0.819 32 L CB 0.874 42.934 42.059 0.002 0.000 1.176 32 L HN 0.534 nan 8.230 nan 0.000 0.435 33 E N 4.075 124.279 120.200 0.008 0.000 2.529 33 E HA 0.231 4.581 4.350 -0.000 0.000 0.259 33 E C -0.628 175.973 176.600 0.002 0.000 0.966 33 E CA 0.528 56.932 56.400 0.007 0.000 0.937 33 E CB 0.396 30.101 29.700 0.008 0.000 0.923 33 E HN 0.770 nan 8.360 nan 0.000 0.468 34 S N 3.196 118.896 115.700 0.000 0.000 2.683 34 S HA 0.004 4.474 4.470 -0.000 0.000 0.264 34 S C -1.599 172.997 174.600 -0.007 0.000 1.066 34 S CA -0.748 57.448 58.200 -0.006 0.000 0.846 34 S CB 0.749 63.941 63.200 -0.012 0.000 1.114 34 S HN 0.724 nan 8.310 nan 0.000 0.476 35 D N 1.117 121.510 120.400 -0.012 0.000 2.478 35 D HA 0.150 4.790 4.640 -0.000 0.000 0.234 35 D C -1.541 174.749 176.300 -0.017 0.000 1.154 35 D CA -0.764 53.227 54.000 -0.014 0.000 0.874 35 D CB 1.087 41.876 40.800 -0.019 0.000 1.198 35 D HN 0.227 nan 8.370 nan 0.000 0.455 36 P HA -0.057 nan 4.420 nan 0.000 0.219 36 P C 0.471 177.747 177.300 -0.040 0.000 1.146 36 P CA 1.239 64.323 63.100 -0.026 0.000 0.808 36 P CB 0.129 31.808 31.700 -0.035 0.000 0.779 37 A N -1.322 121.473 122.820 -0.041 0.000 2.259 37 A HA 0.101 4.421 4.320 -0.000 0.000 0.208 37 A C 0.829 178.390 177.584 -0.040 0.000 1.201 37 A CA 0.371 52.381 52.037 -0.045 0.000 0.824 37 A CB -0.799 18.175 19.000 -0.043 0.000 0.838 37 A HN 0.148 nan 8.150 nan 0.000 0.485 38 I N 0.642 121.192 120.570 -0.034 0.000 2.448 38 I HA 0.274 4.444 4.170 -0.000 0.000 0.281 38 I C -0.804 175.300 176.117 -0.022 0.000 1.027 38 I CA -0.614 60.666 61.300 -0.034 0.000 1.111 38 I CB 1.590 39.567 38.000 -0.038 0.000 1.236 38 I HN 0.136 nan 8.210 nan 0.000 0.452 39 R N 7.222 127.712 120.500 -0.016 0.000 2.247 39 R HA 0.663 5.003 4.340 -0.000 0.000 0.329 39 R C -0.896 175.410 176.300 0.009 0.000 1.014 39 R CA -0.176 55.925 56.100 0.002 0.000 0.907 39 R CB 0.986 31.291 30.300 0.009 0.000 1.146 39 R HN 0.506 nan 8.270 nan 0.000 0.499 40 I N 2.104 122.679 120.570 0.008 0.000 2.569 40 I HA 0.480 4.650 4.170 -0.000 0.000 0.296 40 I C -0.518 175.613 176.117 0.022 0.000 1.028 40 I CA -1.422 59.885 61.300 0.012 0.000 1.082 40 I CB 2.350 40.347 38.000 -0.005 0.000 1.264 40 I HN 0.167 nan 8.210 nan 0.000 0.429 41 V N 5.651 125.584 119.914 0.032 0.000 2.604 41 V HA 0.619 4.739 4.120 -0.000 0.000 0.305 41 V C -0.470 175.641 176.094 0.029 0.000 1.043 41 V CA -0.625 61.696 62.300 0.034 0.000 0.888 41 V CB 2.359 34.211 31.823 0.047 0.000 0.995 41 V HN 0.543 nan 8.190 nan 0.000 0.429 42 V N 2.518 122.446 119.914 0.023 0.000 2.925 42 V HA 0.701 4.821 4.120 -0.000 0.000 0.311 42 V C -0.343 175.760 176.094 0.015 0.000 1.104 42 V CA -1.266 61.044 62.300 0.016 0.000 0.954 42 V CB 1.987 33.817 31.823 0.011 0.000 1.022 42 V HN 0.965 nan 8.190 nan 0.000 0.427 43 R N 2.194 122.698 120.500 0.007 0.000 2.537 43 R HA 0.406 4.746 4.340 -0.000 0.000 0.280 43 R C 0.527 176.831 176.300 0.006 0.000 1.058 43 R CA -0.304 55.797 56.100 0.002 0.000 1.057 43 R CB 0.737 31.027 30.300 -0.017 0.000 0.973 43 R HN 0.788 nan 8.270 nan 0.000 0.438 44 R N 0.740 121.248 120.500 0.013 0.000 2.148 44 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 44 R C 0.163 176.470 176.300 0.011 0.000 1.103 44 R CA 1.683 57.793 56.100 0.017 0.000 0.983 44 R CB 0.007 30.323 30.300 0.027 0.000 0.874 44 R HN 0.789 nan 8.270 nan 0.000 0.451 45 D N 0.905 121.307 120.400 0.003 0.000 2.943 45 D HA -0.000 4.640 4.640 -0.000 0.000 0.249 45 D C -0.461 175.835 176.300 -0.008 0.000 1.231 45 D CA -0.323 53.675 54.000 -0.003 0.000 0.979 45 D CB 0.092 40.885 40.800 -0.012 0.000 1.053 45 D HN -0.047 nan 8.370 nan 0.000 0.504 46 L N 1.562 122.785 121.223 -0.000 0.000 2.462 46 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 46 L C 0.284 177.156 176.870 0.002 0.000 1.166 46 L CA 0.256 55.097 54.840 0.002 0.000 0.880 46 L CB 0.521 42.585 42.059 0.009 0.000 1.142 46 L HN 0.133 nan 8.230 nan 0.000 0.473 47 N N 3.976 122.676 118.700 0.000 0.000 2.886 47 N HA 0.125 4.865 4.740 -0.000 0.000 0.285 47 N C 0.493 176.010 175.510 0.010 0.000 1.706 47 N CA -0.175 52.876 53.050 0.001 0.000 0.904 47 N CB 0.344 38.826 38.487 -0.008 0.000 1.224 47 N HN 0.591 nan 8.380 nan 0.000 0.488 48 K N -0.068 120.342 120.400 0.017 0.000 2.588 48 K HA -0.122 4.198 4.320 -0.000 0.000 0.196 48 K C 0.888 177.504 176.600 0.025 0.000 1.044 48 K CA 0.651 56.954 56.287 0.027 0.000 0.934 48 K CB 0.257 32.777 32.500 0.033 0.000 0.773 48 K HN 0.398 nan 8.250 nan 0.000 0.489 49 N N 0.794 119.504 118.700 0.016 0.000 2.109 49 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 49 N C 0.595 176.117 175.510 0.021 0.000 1.034 49 N CA 0.745 53.803 53.050 0.014 0.000 0.846 49 N CB -0.246 38.244 38.487 0.004 0.000 1.010 49 N HN 0.173 nan 8.380 nan 0.000 0.425 50 N N 1.007 119.719 118.700 0.021 0.000 2.444 50 N HA 0.065 4.805 4.740 -0.000 0.000 0.255 50 N C -0.229 175.308 175.510 0.045 0.000 1.255 50 N CA -0.169 52.902 53.050 0.035 0.000 0.933 50 N CB 0.960 39.464 38.487 0.027 0.000 1.143 50 N HN -0.175 nan 8.380 nan 0.000 0.453 51 V N 1.072 121.023 119.914 0.063 0.000 2.521 51 V HA 0.200 4.320 4.120 -0.000 0.000 0.286 51 V C 0.771 176.897 176.094 0.053 0.000 1.034 51 V CA -0.720 61.617 62.300 0.063 0.000 1.045 51 V CB 0.162 32.031 31.823 0.076 0.000 0.974 51 V HN 0.699 nan 8.190 nan 0.000 0.480 52 A N 5.383 128.231 122.820 0.047 0.000 2.409 52 A HA 0.550 4.870 4.320 -0.000 0.000 0.262 52 A C -0.199 177.407 177.584 0.037 0.000 1.113 52 A CA -0.294 51.764 52.037 0.035 0.000 0.790 52 A CB 0.423 19.442 19.000 0.032 0.000 1.046 52 A HN 0.716 nan 8.150 nan 0.000 0.496 53 V N 5.457 125.388 119.914 0.028 0.000 2.304 53 V HA 0.242 4.362 4.120 -0.000 0.000 0.269 53 V C 0.050 176.156 176.094 0.020 0.000 1.036 53 V CA 0.020 62.340 62.300 0.033 0.000 0.840 53 V CB 0.213 32.058 31.823 0.036 0.000 1.036 53 V HN 0.711 nan 8.190 nan 0.000 0.466 54 I N 3.603 124.194 120.570 0.035 0.000 2.428 54 I HA 0.592 4.762 4.170 -0.000 0.000 0.296 54 I C 0.399 176.545 176.117 0.048 0.000 0.985 54 I CA 0.243 61.570 61.300 0.045 0.000 1.260 54 I CB 1.893 39.937 38.000 0.074 0.000 1.389 54 I HN 0.637 nan 8.210 nan 0.000 0.484 55 S N 2.605 118.317 115.700 0.019 0.000 2.685 55 S HA 0.950 5.420 4.470 -0.000 0.000 0.282 55 S C -0.472 174.102 174.600 -0.044 0.000 1.159 55 S CA 0.070 58.222 58.200 -0.080 0.000 0.833 55 S CB 2.042 65.128 63.200 -0.190 0.000 1.151 55 S HN 0.961 nan 8.310 nan 0.000 0.485 56 G N -0.226 108.434 108.800 -0.233 0.000 2.512 56 G HA2 0.656 4.616 3.960 -0.000 0.000 0.186 56 G HA3 0.656 4.616 3.960 -0.000 0.000 0.186 56 G C 0.078 174.993 174.900 0.025 0.000 1.189 56 G CA 0.263 45.391 45.100 0.047 0.000 0.994 56 G HN 2.036 nan 8.290 nan 0.000 0.506 57 G N -1.991 106.987 108.800 0.297 0.000 2.353 57 G HA2 0.535 4.495 3.960 -0.000 0.000 0.615 57 G HA3 0.535 4.495 3.960 -0.000 0.000 0.615 57 G C 0.379 175.470 174.900 0.318 0.000 1.280 57 G CA 0.345 45.625 45.100 0.300 0.000 1.000 57 G HN 1.959 nan 8.290 nan 0.000 0.516 58 G N -0.641 108.361 108.800 0.336 0.000 2.653 58 G HA2 0.581 4.541 3.960 -0.000 0.000 0.265 58 G HA3 0.581 4.541 3.960 -0.000 0.000 0.265 58 G C 0.492 175.538 174.900 0.243 0.000 1.237 58 G CA 0.881 46.146 45.100 0.274 0.000 0.946 58 G HN 1.392 nan 8.290 nan 0.000 0.522 59 S N -1.855 113.897 115.700 0.087 0.000 2.713 59 S HA 0.631 5.101 4.470 -0.000 0.000 0.283 59 S C 1.069 175.537 174.600 -0.220 0.000 1.161 59 S CA 0.505 58.699 58.200 -0.009 0.000 0.999 59 S CB 1.460 64.639 63.200 -0.036 0.000 1.039 59 S HN 1.949 nan 8.310 nan 0.000 0.548 60 G N 0.396 109.076 108.800 -0.200 0.000 2.179 60 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 60 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 60 G C 0.133 174.947 174.900 -0.144 0.000 0.990 60 G CA -0.202 44.724 45.100 -0.290 0.000 0.646 60 G HN 0.728 nan 8.290 nan 0.000 0.517 61 H N 0.413 119.580 119.070 0.162 0.000 2.505 61 H HA 0.264 4.820 4.556 -0.000 0.000 0.289 61 H C 1.123 176.509 175.328 0.098 0.000 1.052 61 H CA 0.162 56.293 56.048 0.138 0.000 1.156 61 H CB 0.365 30.192 29.762 0.108 0.000 1.507 61 H HN 0.471 nan 8.280 nan 0.000 0.548 62 E N 1.433 121.724 120.200 0.153 0.000 3.109 62 E HA -0.065 4.285 4.350 -0.000 0.000 0.221 62 E C -1.215 175.428 176.600 0.071 0.000 1.409 62 E CA -0.187 56.278 56.400 0.108 0.000 1.234 62 E CB -0.046 29.698 29.700 0.075 0.000 1.197 62 E HN 0.530 nan 8.360 nan 0.000 0.451 63 P HA 0.122 nan 4.420 nan 0.000 0.251 63 P C -0.365 176.985 177.300 0.082 0.000 1.198 63 P CA -0.037 63.068 63.100 0.008 0.000 0.847 63 P CB 0.620 32.215 31.700 -0.176 0.000 1.082 64 A N 0.380 123.312 122.820 0.186 0.000 2.561 64 A HA -0.052 4.268 4.320 -0.000 0.000 0.251 64 A C 0.198 177.853 177.584 0.118 0.000 1.062 64 A CA 0.815 52.867 52.037 0.025 0.000 0.761 64 A CB -0.502 18.321 19.000 -0.295 0.000 0.986 64 A HN 0.281 nan 8.150 nan 0.000 0.510 65 H N 1.323 120.540 119.070 0.245 0.000 3.241 65 H HA 0.113 4.669 4.556 -0.000 0.000 0.260 65 H C 1.594 177.034 175.328 0.187 0.000 1.084 65 H CA 0.584 56.802 56.048 0.284 0.000 1.203 65 H CB 0.511 30.390 29.762 0.196 0.000 1.524 65 H HN 0.429 nan 8.280 nan 0.000 0.521 66 V N 0.504 120.548 119.914 0.217 0.000 2.546 66 V HA -0.244 3.876 4.120 -0.000 0.000 0.254 66 V C 2.506 178.628 176.094 0.047 0.000 1.076 66 V CA 2.102 64.472 62.300 0.118 0.000 1.087 66 V CB -0.898 30.977 31.823 0.087 0.000 0.674 66 V HN 0.665 nan 8.190 nan 0.000 0.470 67 G N -0.574 108.210 108.800 -0.026 0.000 2.418 67 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 67 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 67 G C 1.053 175.729 174.900 -0.373 0.000 1.158 67 G CA 0.579 45.511 45.100 -0.279 0.000 0.771 67 G HN 0.574 nan 8.290 nan 0.000 0.545 68 F N 0.808 120.814 119.950 0.092 0.000 2.660 68 F HA 0.467 4.994 4.527 -0.000 0.000 0.297 68 F C 0.798 176.589 175.800 -0.015 0.000 1.132 68 F CA -0.723 57.318 58.000 0.068 0.000 1.372 68 F CB -0.000 39.052 39.000 0.087 0.000 1.003 68 F HN -0.076 nan 8.300 nan 0.000 0.524 69 I N 0.245 120.868 120.570 0.089 0.000 2.662 69 I HA 0.563 4.733 4.170 -0.000 0.000 0.291 69 I C 0.871 176.977 176.117 -0.019 0.000 1.046 69 I CA 0.145 61.463 61.300 0.030 0.000 1.361 69 I CB 0.717 38.737 38.000 0.034 0.000 1.429 69 I HN 0.322 nan 8.210 nan 0.000 0.558 70 G N 4.121 112.890 108.800 -0.052 0.000 2.408 70 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.682 70 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.682 70 G C -0.722 174.087 174.900 -0.152 0.000 1.303 70 G CA -0.921 44.112 45.100 -0.113 0.000 0.966 70 G HN 0.714 nan 8.290 nan 0.000 0.560 71 K N 0.607 120.883 120.400 -0.206 0.000 2.473 71 K HA 0.351 4.671 4.320 -0.000 0.000 0.277 71 K C 1.540 178.006 176.600 -0.224 0.000 1.052 71 K CA 1.914 58.077 56.287 -0.206 0.000 1.114 71 K CB -0.414 31.945 32.500 -0.235 0.000 0.869 71 K HN 2.387 nan 8.250 nan 0.000 0.481 72 G N 2.911 111.601 108.800 -0.183 0.000 2.232 72 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.226 72 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.226 72 G C 0.132 174.923 174.900 -0.182 0.000 0.996 72 G CA 0.325 45.306 45.100 -0.199 0.000 0.626 72 G HN 0.588 nan 8.290 nan 0.000 0.509 73 M N -1.427 118.088 119.600 -0.142 0.000 2.990 73 M HA 0.575 5.055 4.480 -0.000 0.000 0.462 73 M C -0.716 175.542 176.300 -0.070 0.000 1.961 73 M CA -0.897 54.341 55.300 -0.103 0.000 0.798 73 M CB 0.067 32.615 32.600 -0.087 0.000 3.332 73 M HN -0.050 nan 8.290 nan 0.000 0.541 74 L N 1.480 122.659 121.223 -0.073 0.000 2.559 74 L HA -0.019 4.321 4.340 -0.000 0.000 0.282 74 L C 1.247 178.095 176.870 -0.037 0.000 1.232 74 L CA 1.017 55.813 54.840 -0.073 0.000 0.885 74 L CB -0.187 41.806 42.059 -0.109 0.000 1.131 74 L HN 0.679 nan 8.230 nan 0.000 0.498 75 T N 1.654 116.194 114.554 -0.024 0.000 2.852 75 T HA 0.313 4.663 4.350 -0.000 0.000 0.256 75 T C 0.509 175.207 174.700 -0.002 0.000 1.038 75 T CA 1.057 63.150 62.100 -0.012 0.000 1.141 75 T CB 0.186 69.054 68.868 -0.001 0.000 0.869 75 T HN 0.714 nan 8.240 nan 0.000 0.439 76 A N -0.074 122.748 122.820 0.004 0.000 2.594 76 A HA 0.850 5.170 4.320 -0.000 0.000 0.291 76 A C -1.697 175.905 177.584 0.029 0.000 1.105 76 A CA -0.558 51.489 52.037 0.017 0.000 0.694 76 A CB 1.306 20.314 19.000 0.013 0.000 1.291 76 A HN 0.398 nan 8.150 nan 0.000 0.410 77 A N 0.214 123.064 122.820 0.050 0.000 2.398 77 A HA 0.658 4.978 4.320 -0.000 0.000 0.301 77 A C -1.140 176.495 177.584 0.086 0.000 1.041 77 A CA -0.428 51.656 52.037 0.079 0.000 0.711 77 A CB 1.318 20.394 19.000 0.126 0.000 1.240 77 A HN 1.473 nan 8.150 nan 0.000 0.420 78 V N 1.552 121.534 119.914 0.113 0.000 2.333 78 V HA 0.310 4.430 4.120 -0.000 0.000 0.274 78 V C -0.231 175.934 176.094 0.119 0.000 1.028 78 V CA -0.638 61.709 62.300 0.079 0.000 0.851 78 V CB 0.465 32.289 31.823 0.002 0.000 1.000 78 V HN 0.922 nan 8.190 nan 0.000 0.456 79 C N 4.499 123.852 119.300 0.088 0.000 2.273 79 C HA 0.828 5.288 4.460 -0.000 0.000 0.328 79 C C 1.145 176.173 174.990 0.063 0.000 1.275 79 C CA -0.647 58.433 59.018 0.103 0.000 1.704 79 C CB 0.067 27.864 27.740 0.095 0.000 2.326 79 C HN 1.012 nan 8.230 nan 0.000 0.517 80 G N 1.868 110.716 108.800 0.080 0.000 2.613 80 G HA2 0.487 4.447 3.960 -0.000 0.000 0.303 80 G HA3 0.487 4.447 3.960 -0.000 0.000 0.303 80 G C -0.628 174.287 174.900 0.025 0.000 1.312 80 G CA -0.204 44.922 45.100 0.044 0.000 1.036 80 G HN 0.730 nan 8.290 nan 0.000 0.513 81 D N -1.852 118.546 120.400 -0.004 0.000 2.278 81 D HA 0.126 4.766 4.640 -0.000 0.000 0.240 81 D C 0.732 176.999 176.300 -0.055 0.000 1.347 81 D CA 0.049 54.022 54.000 -0.044 0.000 0.945 81 D CB 0.495 41.259 40.800 -0.060 0.000 1.175 81 D HN 0.105 nan 8.370 nan 0.000 0.519 82 V N 2.234 122.061 119.914 -0.145 0.000 2.493 82 V HA -0.000 4.120 4.120 -0.000 0.000 0.292 82 V C 0.331 176.368 176.094 -0.095 0.000 1.016 82 V CA 0.425 62.563 62.300 -0.271 0.000 1.097 82 V CB -0.861 30.684 31.823 -0.463 0.000 0.947 82 V HN 0.680 nan 8.190 nan 0.000 0.479 83 F N 1.404 121.329 119.950 -0.042 0.000 3.027 83 F HA -0.231 4.296 4.527 -0.000 0.000 0.276 83 F C 0.631 176.441 175.800 0.018 0.000 0.967 83 F CA 0.298 58.340 58.000 0.071 0.000 0.929 83 F CB -0.831 38.218 39.000 0.082 0.000 0.873 83 F HN 0.787 nan 8.300 nan 0.000 0.787 84 A N 0.430 123.360 122.820 0.183 0.000 2.513 84 A HA 0.586 4.906 4.320 -0.000 0.000 0.296 84 A C -0.197 177.442 177.584 0.092 0.000 1.052 84 A CA 0.064 52.146 52.037 0.074 0.000 0.714 84 A CB 1.586 20.608 19.000 0.037 0.000 1.279 84 A HN 0.302 nan 8.150 nan 0.000 0.397 85 S N 2.016 117.765 115.700 0.081 0.000 2.576 85 S HA 0.465 4.935 4.470 -0.000 0.000 0.272 85 S C -1.916 172.734 174.600 0.083 0.000 1.352 85 S CA -0.364 57.916 58.200 0.135 0.000 1.021 85 S CB -0.019 63.276 63.200 0.159 0.000 0.887 85 S HN 0.505 nan 8.310 nan 0.000 0.542 86 P HA 0.198 nan 4.420 nan 0.000 0.275 86 P C -0.579 176.677 177.300 -0.073 0.000 1.270 86 P CA -0.558 62.527 63.100 -0.025 0.000 0.791 86 P CB 0.288 31.934 31.700 -0.090 0.000 1.089 87 S N -1.173 114.470 115.700 -0.094 0.000 2.655 87 S HA 0.137 4.607 4.470 -0.000 0.000 0.265 87 S C 1.250 175.762 174.600 -0.148 0.000 1.240 87 S CA -0.565 57.580 58.200 -0.092 0.000 0.986 87 S CB -0.027 63.129 63.200 -0.074 0.000 0.985 87 S HN 0.161 nan 8.310 nan 0.000 0.562 88 V N 0.714 120.558 119.914 -0.117 0.000 2.379 88 V HA -0.110 4.010 4.120 -0.000 0.000 0.245 88 V C 2.223 178.233 176.094 -0.141 0.000 1.044 88 V CA 1.985 64.203 62.300 -0.137 0.000 1.036 88 V CB -1.372 30.402 31.823 -0.081 0.000 0.664 88 V HN 0.878 nan 8.190 nan 0.000 0.453 89 D N 0.651 120.990 120.400 -0.102 0.000 2.170 89 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 89 D C 2.107 178.342 176.300 -0.108 0.000 1.004 89 D CA 1.925 55.873 54.000 -0.088 0.000 0.860 89 D CB -0.194 40.567 40.800 -0.065 0.000 0.931 89 D HN 0.463 nan 8.370 nan 0.000 0.448 90 A N -0.439 122.303 122.820 -0.131 0.000 1.898 90 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 90 A C 2.368 179.833 177.584 -0.199 0.000 1.183 90 A CA 0.800 52.753 52.037 -0.140 0.000 0.622 90 A CB -0.476 18.448 19.000 -0.127 0.000 0.824 90 A HN 0.145 nan 8.150 nan 0.000 0.444 91 V N -0.081 119.645 119.914 -0.313 0.000 2.490 91 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 91 V C 2.451 178.398 176.094 -0.246 0.000 1.061 91 V CA 1.860 63.910 62.300 -0.416 0.000 1.064 91 V CB -0.706 30.656 31.823 -0.768 0.000 0.670 91 V HN 0.573 nan 8.190 nan 0.000 0.461 92 L N 0.033 121.137 121.223 -0.198 0.000 2.007 92 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 92 L C 2.520 179.290 176.870 -0.167 0.000 1.073 92 L CA 2.436 57.175 54.840 -0.169 0.000 0.744 92 L CB -1.117 40.866 42.059 -0.127 0.000 0.898 92 L HN 0.283 nan 8.230 nan 0.000 0.435 93 T N 0.139 114.617 114.554 -0.127 0.000 2.760 93 T HA -0.264 4.086 4.350 -0.000 0.000 0.269 93 T C 1.797 176.435 174.700 -0.103 0.000 1.047 93 T CA 1.426 63.467 62.100 -0.098 0.000 1.139 93 T CB -0.510 68.316 68.868 -0.071 0.000 0.855 93 T HN 0.565 nan 8.240 nan 0.000 0.471 94 A N 0.838 123.590 122.820 -0.114 0.000 1.872 94 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 94 A C 2.234 179.751 177.584 -0.111 0.000 1.187 94 A CA 0.955 52.939 52.037 -0.089 0.000 0.614 94 A CB -0.573 18.383 19.000 -0.074 0.000 0.826 94 A HN 0.524 nan 8.150 nan 0.000 0.442 95 I N -0.174 120.296 120.570 -0.167 0.000 2.127 95 I HA -0.365 3.805 4.170 -0.000 0.000 0.241 95 I C 2.849 178.756 176.117 -0.350 0.000 1.075 95 I CA 1.777 62.936 61.300 -0.235 0.000 1.334 95 I CB -0.715 37.099 38.000 -0.310 0.000 1.040 95 I HN 0.435 nan 8.210 nan 0.000 0.405 96 Q N 0.906 120.422 119.800 -0.473 0.000 1.975 96 Q HA -0.256 4.084 4.340 -0.000 0.000 0.205 96 Q C 2.536 178.499 176.000 -0.061 0.000 0.990 96 Q CA 1.956 57.529 55.803 -0.384 0.000 0.845 96 Q CB -0.517 28.110 28.738 -0.184 0.000 0.913 96 Q HN 0.603 nan 8.270 nan 0.000 0.420 97 A N 0.794 123.582 122.820 -0.054 0.000 1.971 97 A HA -0.199 4.121 4.320 -0.000 0.000 0.222 97 A C 2.118 179.708 177.584 0.010 0.000 1.182 97 A CA 2.401 54.434 52.037 -0.008 0.000 0.649 97 A CB -0.610 18.378 19.000 -0.019 0.000 0.818 97 A HN 0.406 nan 8.150 nan 0.000 0.458 98 V N -4.778 115.135 119.914 -0.003 0.000 3.432 98 V HA 0.269 4.389 4.120 -0.000 0.000 0.298 98 V C 0.361 176.477 176.094 0.037 0.000 1.464 98 V CA 0.391 62.702 62.300 0.017 0.000 1.046 98 V CB -0.259 31.568 31.823 0.007 0.000 0.887 98 V HN 0.204 nan 8.190 nan 0.000 0.441 99 T N 2.227 116.811 114.554 0.051 0.000 2.817 99 T HA 0.660 5.010 4.350 -0.000 0.000 0.293 99 T C 0.753 175.551 174.700 0.164 0.000 0.964 99 T CA 0.528 62.688 62.100 0.101 0.000 1.085 99 T CB 1.381 70.316 68.868 0.110 0.000 0.921 99 T HN 0.617 nan 8.240 nan 0.000 0.502 100 G N 0.957 109.824 108.800 0.112 0.000 2.714 100 G HA2 0.266 4.226 3.960 -0.000 0.000 0.197 100 G HA3 0.266 4.226 3.960 -0.000 0.000 0.197 100 G C 0.616 175.565 174.900 0.081 0.000 1.449 100 G CA -0.365 44.787 45.100 0.086 0.000 1.065 100 G HN 0.724 nan 8.290 nan 0.000 0.575 101 E N -1.008 119.217 120.200 0.042 0.000 2.340 101 E HA 0.160 4.510 4.350 -0.000 0.000 0.194 101 E C 2.380 179.000 176.600 0.034 0.000 0.996 101 E CA 0.559 56.974 56.400 0.024 0.000 0.869 101 E CB -0.003 29.699 29.700 0.002 0.000 0.835 101 E HN 0.379 nan 8.360 nan 0.000 0.493 102 A N 0.847 123.691 122.820 0.040 0.000 2.119 102 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 102 A C 1.188 178.805 177.584 0.055 0.000 1.153 102 A CA 1.156 53.219 52.037 0.043 0.000 0.692 102 A CB -0.540 18.487 19.000 0.044 0.000 0.799 102 A HN 0.413 nan 8.150 nan 0.000 0.458 103 G N -2.234 106.607 108.800 0.070 0.000 2.610 103 G HA2 0.127 4.087 3.960 -0.000 0.000 0.304 103 G HA3 0.127 4.087 3.960 -0.000 0.000 0.304 103 G C -0.196 174.751 174.900 0.078 0.000 1.309 103 G CA -0.222 44.928 45.100 0.084 0.000 0.906 103 G HN 2.132 nan 8.290 nan 0.000 0.521 104 C N -1.412 117.932 119.300 0.072 0.000 2.985 104 C HA 0.859 5.319 4.460 -0.000 0.000 0.314 104 C C -0.531 174.490 174.990 0.052 0.000 1.215 104 C CA -0.763 58.288 59.018 0.057 0.000 1.414 104 C CB 1.004 28.770 27.740 0.044 0.000 1.842 104 C HN 2.142 nan 8.230 nan 0.000 0.477 105 L N 4.019 125.271 121.223 0.049 0.000 2.294 105 L HA 0.672 5.012 4.340 -0.000 0.000 0.283 105 L C -0.702 176.196 176.870 0.045 0.000 1.015 105 L CA -0.490 54.377 54.840 0.044 0.000 0.831 105 L CB 0.857 42.941 42.059 0.042 0.000 1.217 105 L HN 0.812 nan 8.230 nan 0.000 0.420 106 L N 6.373 127.625 121.223 0.048 0.000 2.313 106 L HA 0.374 4.714 4.340 -0.000 0.000 0.282 106 L C -0.245 176.611 176.870 -0.022 0.000 1.092 106 L CA -0.109 54.759 54.840 0.048 0.000 0.831 106 L CB 0.729 42.857 42.059 0.115 0.000 1.159 106 L HN 0.589 nan 8.230 nan 0.000 0.442 107 I N 4.603 125.145 120.570 -0.047 0.000 2.337 107 I HA 0.280 4.450 4.170 -0.000 0.000 0.285 107 I C -0.359 175.638 176.117 -0.200 0.000 1.041 107 I CA -0.442 60.816 61.300 -0.070 0.000 1.199 107 I CB 1.484 39.511 38.000 0.046 0.000 1.370 107 I HN 0.265 nan 8.210 nan 0.000 0.470 108 V N 6.584 126.345 119.914 -0.255 0.000 2.513 108 V HA 0.304 4.424 4.120 -0.000 0.000 0.299 108 V C 0.293 176.284 176.094 -0.171 0.000 1.035 108 V CA -0.984 61.100 62.300 -0.360 0.000 0.889 108 V CB 2.004 33.554 31.823 -0.454 0.000 0.988 108 V HN 0.597 nan 8.190 nan 0.000 0.440 109 K N 2.795 123.147 120.400 -0.081 0.000 2.322 109 K HA 0.168 4.488 4.320 -0.000 0.000 0.283 109 K C 0.181 176.856 176.600 0.125 0.000 1.042 109 K CA -0.409 55.934 56.287 0.093 0.000 0.958 109 K CB 0.300 32.974 32.500 0.290 0.000 0.984 109 K HN 0.513 nan 8.250 nan 0.000 0.473 110 N N 3.574 122.202 118.700 -0.119 0.000 2.394 110 N HA -0.041 4.699 4.740 -0.000 0.000 0.288 110 N C -1.709 173.427 175.510 -0.624 0.000 1.272 110 N CA 0.627 53.508 53.050 -0.281 0.000 1.004 110 N CB -0.364 37.963 38.487 -0.267 0.000 1.393 110 N HN 0.337 nan 8.380 nan 0.000 0.488 111 Y N -0.847 119.431 120.300 -0.036 0.000 2.442 111 Y HA 0.095 4.645 4.550 -0.000 0.000 0.330 111 Y C 1.573 177.436 175.900 -0.062 0.000 1.100 111 Y CA -0.948 57.131 58.100 -0.034 0.000 1.034 111 Y CB 1.127 39.587 38.460 0.002 0.000 1.285 111 Y HN 0.290 nan 8.280 nan 0.000 0.440 112 T N -1.393 113.180 114.554 0.033 0.000 2.760 112 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 112 T C 1.831 176.550 174.700 0.032 0.000 1.047 112 T CA 2.003 64.093 62.100 -0.017 0.000 1.139 112 T CB -0.496 68.348 68.868 -0.039 0.000 0.855 112 T HN 0.901 nan 8.240 nan 0.000 0.471 113 G N 1.492 110.330 108.800 0.063 0.000 2.464 113 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 113 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 113 G C 1.279 176.250 174.900 0.118 0.000 1.218 113 G CA 0.967 46.104 45.100 0.062 0.000 0.794 113 G HN 0.543 nan 8.290 nan 0.000 0.542 114 D N 0.597 121.096 120.400 0.166 0.000 2.104 114 D HA -0.088 4.552 4.640 -0.000 0.000 0.194 114 D C 2.614 179.059 176.300 0.241 0.000 0.994 114 D CA 0.845 55.001 54.000 0.260 0.000 0.830 114 D CB -0.299 40.597 40.800 0.160 0.000 0.959 114 D HN 0.264 nan 8.370 nan 0.000 0.452 115 R N 0.202 120.771 120.500 0.114 0.000 2.097 115 R HA -0.090 4.250 4.340 -0.000 0.000 0.236 115 R C 2.584 178.942 176.300 0.097 0.000 1.135 115 R CA 0.920 57.062 56.100 0.069 0.000 0.934 115 R CB -0.677 29.621 30.300 -0.004 0.000 0.846 115 R HN 0.209 nan 8.270 nan 0.000 0.431 116 L N 0.736 121.999 121.223 0.067 0.000 2.013 116 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 116 L C 2.029 178.940 176.870 0.069 0.000 1.073 116 L CA 1.486 56.357 54.840 0.052 0.000 0.753 116 L CB -0.608 41.469 42.059 0.029 0.000 0.890 116 L HN 0.270 nan 8.230 nan 0.000 0.432 117 N N -0.317 118.439 118.700 0.094 0.000 2.080 117 N HA -0.138 4.602 4.740 -0.000 0.000 0.189 117 N C 1.656 177.186 175.510 0.034 0.000 1.036 117 N CA 1.285 54.363 53.050 0.046 0.000 0.846 117 N CB -0.425 38.076 38.487 0.023 0.000 1.015 117 N HN 0.098 nan 8.380 nan 0.000 0.423 118 F N 0.674 120.621 119.950 -0.004 0.000 2.269 118 F HA 0.008 4.535 4.527 -0.000 0.000 0.301 118 F C 2.327 178.120 175.800 -0.011 0.000 1.082 118 F CA 1.084 59.079 58.000 -0.009 0.000 1.360 118 F CB -0.702 38.296 39.000 -0.004 0.000 1.041 118 F HN 0.095 nan 8.300 nan 0.000 0.512 119 G N -0.189 108.717 108.800 0.176 0.000 2.434 119 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.214 119 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.214 119 G C 1.608 176.539 174.900 0.051 0.000 1.202 119 G CA 0.710 45.867 45.100 0.095 0.000 0.788 119 G HN 0.273 nan 8.290 nan 0.000 0.539 120 L N 1.669 122.911 121.223 0.032 0.000 2.081 120 L HA 0.021 4.361 4.340 -0.000 0.000 0.212 120 L C 3.016 179.886 176.870 -0.001 0.000 1.080 120 L CA 2.048 56.895 54.840 0.011 0.000 0.754 120 L CB -0.883 41.176 42.059 -0.000 0.000 0.893 120 L HN 0.282 nan 8.230 nan 0.000 0.433 121 A N -0.189 122.621 122.820 -0.017 0.000 1.842 121 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 121 A C 2.496 180.069 177.584 -0.018 0.000 1.206 121 A CA 2.538 54.547 52.037 -0.047 0.000 0.630 121 A CB -1.569 17.366 19.000 -0.108 0.000 0.839 121 A HN 0.604 nan 8.150 nan 0.000 0.447 122 A N -0.922 121.908 122.820 0.016 0.000 2.009 122 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 122 A C 1.921 179.524 177.584 0.030 0.000 1.175 122 A CA 2.223 54.279 52.037 0.031 0.000 0.651 122 A CB -0.534 18.502 19.000 0.059 0.000 0.815 122 A HN 0.583 nan 8.150 nan 0.000 0.459 123 E N -0.098 120.117 120.200 0.026 0.000 2.008 123 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 123 E C 1.922 178.540 176.600 0.029 0.000 0.986 123 E CA 1.171 57.587 56.400 0.028 0.000 0.807 123 E CB -0.489 29.224 29.700 0.022 0.000 0.766 123 E HN 0.664 nan 8.360 nan 0.000 0.450 124 K N 0.706 121.116 120.400 0.017 0.000 2.286 124 K HA -0.122 4.198 4.320 -0.000 0.000 0.203 124 K C 1.937 178.564 176.600 0.045 0.000 1.045 124 K CA 1.026 57.326 56.287 0.021 0.000 0.935 124 K CB -0.064 32.438 32.500 0.002 0.000 0.737 124 K HN 0.053 nan 8.250 nan 0.000 0.460 125 A N 1.280 124.122 122.820 0.037 0.000 1.878 125 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 125 A C 1.959 179.650 177.584 0.179 0.000 1.192 125 A CA 0.552 52.634 52.037 0.075 0.000 0.619 125 A CB -0.121 18.857 19.000 -0.037 0.000 0.837 125 A HN 0.089 nan 8.150 nan 0.000 0.446 126 R N -0.059 120.507 120.500 0.110 0.000 2.103 126 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 126 R C 2.293 178.647 176.300 0.090 0.000 1.142 126 R CA 1.697 57.857 56.100 0.100 0.000 0.960 126 R CB -0.675 29.662 30.300 0.061 0.000 0.858 126 R HN 0.681 nan 8.270 nan 0.000 0.439 127 R N 1.310 121.856 120.500 0.077 0.000 2.241 127 R HA -0.058 4.282 4.340 -0.000 0.000 0.224 127 R C 1.317 177.655 176.300 0.063 0.000 1.101 127 R CA 0.995 57.129 56.100 0.057 0.000 0.995 127 R CB -0.051 30.276 30.300 0.046 0.000 0.870 127 R HN 0.216 nan 8.270 nan 0.000 0.463 128 L N -0.163 121.132 121.223 0.120 0.000 2.741 128 L HA 0.289 4.629 4.340 -0.000 0.000 0.237 128 L C 1.043 177.876 176.870 -0.061 0.000 1.178 128 L CA 0.411 55.306 54.840 0.093 0.000 0.973 128 L CB 0.634 42.852 42.059 0.264 0.000 1.255 128 L HN 0.567 nan 8.230 nan 0.000 0.498 129 G N -0.909 107.878 108.800 -0.022 0.000 2.241 129 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.244 129 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.244 129 G C 0.105 174.958 174.900 -0.079 0.000 0.998 129 G CA -0.338 44.706 45.100 -0.094 0.000 0.621 129 G HN 0.304 nan 8.290 nan 0.000 0.519 130 Y N 1.918 122.222 120.300 0.007 0.000 2.569 130 Y HA 0.249 4.799 4.550 -0.000 0.000 0.332 130 Y C 1.113 177.020 175.900 0.012 0.000 1.120 130 Y CA -0.197 57.908 58.100 0.009 0.000 1.416 130 Y CB 0.373 38.839 38.460 0.010 0.000 1.210 130 Y HN 0.060 nan 8.280 nan 0.000 0.528 131 N N 3.907 122.698 118.700 0.153 0.000 2.421 131 N HA 0.104 4.844 4.740 -0.000 0.000 0.260 131 N C -0.971 174.599 175.510 0.099 0.000 1.173 131 N CA 0.075 53.183 53.050 0.096 0.000 0.960 131 N CB 0.559 39.085 38.487 0.065 0.000 1.273 131 N HN 0.280 nan 8.380 nan 0.000 0.497 132 V N 2.065 122.032 119.914 0.089 0.000 2.612 132 V HA 0.413 4.533 4.120 -0.000 0.000 0.301 132 V C 0.231 176.356 176.094 0.051 0.000 1.046 132 V CA -0.564 61.777 62.300 0.069 0.000 0.946 132 V CB 2.200 34.061 31.823 0.063 0.000 1.003 132 V HN 0.414 nan 8.190 nan 0.000 0.459 133 E N 3.130 123.357 120.200 0.046 0.000 2.304 133 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 133 E C -1.263 175.355 176.600 0.032 0.000 0.898 133 E CA -0.489 55.931 56.400 0.034 0.000 0.764 133 E CB 2.746 32.462 29.700 0.027 0.000 1.216 133 E HN 0.688 nan 8.360 nan 0.000 0.419 134 M N 3.721 123.335 119.600 0.022 0.000 2.253 134 M HA 0.382 4.862 4.480 -0.000 0.000 0.314 134 M C -1.681 174.611 176.300 -0.012 0.000 1.019 134 M CA -1.081 54.226 55.300 0.011 0.000 0.932 134 M CB 1.188 33.803 32.600 0.025 0.000 1.606 134 M HN 0.361 nan 8.290 nan 0.000 0.430 135 L N 7.425 128.628 121.223 -0.033 0.000 2.316 135 L HA 0.582 4.922 4.340 -0.000 0.000 0.280 135 L C -1.387 175.438 176.870 -0.076 0.000 1.006 135 L CA -0.234 54.577 54.840 -0.047 0.000 0.836 135 L CB 1.035 43.067 42.059 -0.045 0.000 1.221 135 L HN 0.681 nan 8.230 nan 0.000 0.418 136 I N 5.745 126.274 120.570 -0.070 0.000 2.416 136 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 136 I C -0.324 175.736 176.117 -0.096 0.000 1.051 136 I CA -0.538 60.711 61.300 -0.085 0.000 1.375 136 I CB 1.133 39.093 38.000 -0.067 0.000 1.407 136 I HN 0.283 nan 8.210 nan 0.000 0.516 137 V N 5.376 125.222 119.914 -0.113 0.000 2.398 137 V HA 0.658 4.778 4.120 -0.000 0.000 0.286 137 V C 0.511 176.525 176.094 -0.133 0.000 1.026 137 V CA -0.438 61.785 62.300 -0.129 0.000 0.868 137 V CB 1.460 33.195 31.823 -0.147 0.000 0.982 137 V HN 0.941 nan 8.190 nan 0.000 0.443 138 G N 2.802 111.517 108.800 -0.142 0.000 2.883 138 G HA2 0.535 4.495 3.960 -0.000 0.000 0.285 138 G HA3 0.535 4.495 3.960 -0.000 0.000 0.285 138 G C -0.172 174.633 174.900 -0.157 0.000 1.526 138 G CA -0.345 44.668 45.100 -0.145 0.000 1.062 138 G HN 0.725 nan 8.290 nan 0.000 0.550 139 D N 1.110 121.421 120.400 -0.149 0.000 2.479 139 D HA 0.018 4.658 4.640 -0.000 0.000 0.216 139 D C 0.091 176.340 176.300 -0.085 0.000 1.110 139 D CA -0.263 53.637 54.000 -0.167 0.000 0.841 139 D CB 0.478 41.174 40.800 -0.174 0.000 1.040 139 D HN 0.343 nan 8.370 nan 0.000 0.505 140 D N 1.534 121.895 120.400 -0.065 0.000 2.458 140 D HA 0.010 4.650 4.640 -0.000 0.000 0.243 140 D C 1.306 177.605 176.300 -0.001 0.000 1.146 140 D CA -0.088 53.895 54.000 -0.027 0.000 0.877 140 D CB 0.634 41.411 40.800 -0.038 0.000 1.176 140 D HN 0.316 nan 8.370 nan 0.000 0.461 141 I N 0.725 121.315 120.570 0.033 0.000 4.009 141 I HA 0.146 4.316 4.170 -0.000 0.000 0.331 141 I C 1.087 177.218 176.117 0.024 0.000 1.462 141 I CA -0.278 61.053 61.300 0.052 0.000 1.117 141 I CB 0.144 38.210 38.000 0.110 0.000 1.091 141 I HN 0.248 nan 8.210 nan 0.000 0.410 142 S N 1.630 117.335 115.700 0.009 0.000 2.481 142 S HA 0.121 4.591 4.470 -0.000 0.000 0.231 142 S C 0.914 175.511 174.600 -0.004 0.000 0.996 142 S CA 0.422 58.622 58.200 -0.001 0.000 0.942 142 S CB -0.422 62.774 63.200 -0.006 0.000 0.768 142 S HN 0.583 nan 8.310 nan 0.000 0.520 143 L N 1.662 122.881 121.223 -0.006 0.000 2.511 143 L HA 0.369 4.709 4.340 -0.000 0.000 0.252 143 L C -1.899 174.963 176.870 -0.014 0.000 1.542 143 L CA -1.359 53.475 54.840 -0.010 0.000 0.822 143 L CB 1.612 43.665 42.059 -0.009 0.000 1.050 143 L HN -0.030 nan 8.230 nan 0.000 0.516 144 P HA -0.197 nan 4.420 nan 0.000 0.220 144 P C 0.407 177.693 177.300 -0.023 0.000 1.144 144 P CA 1.267 64.359 63.100 -0.013 0.000 0.800 144 P CB 0.417 32.113 31.700 -0.007 0.000 0.772 145 D N -0.846 119.540 120.400 -0.023 0.000 2.363 145 D HA 0.013 4.653 4.640 -0.000 0.000 0.226 145 D C 0.423 176.701 176.300 -0.036 0.000 1.020 145 D CA 0.530 54.514 54.000 -0.027 0.000 0.892 145 D CB -0.266 40.522 40.800 -0.021 0.000 0.900 145 D HN 0.218 nan 8.370 nan 0.000 0.531 146 N N 0.879 119.556 118.700 -0.039 0.000 2.419 146 N HA 0.029 4.769 4.740 -0.000 0.000 0.277 146 N C 1.158 176.609 175.510 -0.098 0.000 1.006 146 N CA -0.283 52.737 53.050 -0.050 0.000 0.923 146 N CB 2.274 40.746 38.487 -0.025 0.000 1.140 146 N HN -0.193 nan 8.380 nan 0.000 0.488 147 K N 1.790 122.093 120.400 -0.162 0.000 2.052 147 K HA -0.193 4.127 4.320 -0.000 0.000 0.215 147 K C -0.252 176.066 176.600 -0.469 0.000 1.053 147 K CA 1.831 57.902 56.287 -0.360 0.000 0.934 147 K CB -0.270 31.919 32.500 -0.520 0.000 0.717 147 K HN 0.638 nan 8.250 nan 0.000 0.450 148 H N 0.219 119.254 119.070 -0.057 0.000 2.673 148 H HA 0.325 4.881 4.556 -0.000 0.000 0.293 148 H C -2.355 172.902 175.328 -0.118 0.000 1.065 148 H CA -2.453 53.543 56.048 -0.086 0.000 1.236 148 H CB 0.998 30.705 29.762 -0.091 0.000 1.389 148 H HN 0.112 nan 8.280 nan 0.000 0.481 149 P HA -0.002 nan 4.420 nan 0.000 0.263 149 P C -0.042 177.164 177.300 -0.156 0.000 1.195 149 P CA 0.001 63.054 63.100 -0.077 0.000 0.762 149 P CB 0.597 32.252 31.700 -0.074 0.000 0.799 150 R N 1.869 122.256 120.500 -0.189 0.000 2.734 150 R HA 0.371 4.711 4.340 -0.000 0.000 0.266 150 R C 1.010 177.144 176.300 -0.276 0.000 1.044 150 R CA 0.145 56.026 56.100 -0.364 0.000 1.128 150 R CB 0.244 30.426 30.300 -0.197 0.000 1.010 150 R HN 0.532 nan 8.270 nan 0.000 0.461 151 G N 2.430 111.014 108.800 -0.360 0.000 2.332 151 G HA2 0.543 4.503 3.960 -0.000 0.000 0.310 151 G HA3 0.543 4.503 3.960 -0.000 0.000 0.310 151 G C -0.226 174.715 174.900 0.069 0.000 1.123 151 G CA -0.526 44.526 45.100 -0.081 0.000 0.873 151 G HN 0.671 nan 8.290 nan 0.000 0.460 152 I N -1.124 119.439 120.570 -0.012 0.000 3.524 152 I HA 0.724 4.894 4.170 -0.000 0.000 0.312 152 I C 1.607 177.692 176.117 -0.053 0.000 1.203 152 I CA -0.728 60.554 61.300 -0.031 0.000 0.974 152 I CB 0.867 38.852 38.000 -0.025 0.000 1.352 152 I HN 0.643 nan 8.210 nan 0.000 0.475 153 A N 0.990 123.783 122.820 -0.045 0.000 1.962 153 A HA -0.332 3.988 4.320 -0.000 0.000 0.239 153 A C 2.055 179.609 177.584 -0.050 0.000 1.810 153 A CA 3.593 55.612 52.037 -0.029 0.000 0.738 153 A CB -2.358 16.646 19.000 0.007 0.000 0.839 153 A HN 1.344 nan 8.150 nan 0.000 0.533 154 G N -2.392 106.374 108.800 -0.058 0.000 2.462 154 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 154 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 154 G C 1.450 176.266 174.900 -0.140 0.000 1.121 154 G CA 1.819 46.869 45.100 -0.082 0.000 0.758 154 G HN 0.542 nan 8.290 nan 0.000 0.559 155 T N 1.920 116.379 114.554 -0.158 0.000 2.620 155 T HA -0.309 4.041 4.350 -0.000 0.000 0.267 155 T C 2.380 176.813 174.700 -0.445 0.000 1.044 155 T CA 1.750 63.694 62.100 -0.261 0.000 1.161 155 T CB -0.392 68.389 68.868 -0.144 0.000 0.862 155 T HN 0.636 nan 8.240 nan 0.000 0.438 156 I N -0.187 120.206 120.570 -0.295 0.000 2.335 156 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 156 I C 2.148 178.170 176.117 -0.157 0.000 1.129 156 I CA 1.582 62.734 61.300 -0.248 0.000 1.402 156 I CB -0.755 36.940 38.000 -0.508 0.000 1.069 156 I HN 0.201 nan 8.210 nan 0.000 0.424 157 L N 0.809 121.973 121.223 -0.099 0.000 2.056 157 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 157 L C 2.804 179.598 176.870 -0.126 0.000 1.078 157 L CA 0.913 55.730 54.840 -0.040 0.000 0.749 157 L CB -0.715 41.336 42.059 -0.013 0.000 0.901 157 L HN 0.171 nan 8.230 nan 0.000 0.433 158 V N -0.339 119.453 119.914 -0.203 0.000 2.469 158 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 158 V C 2.265 178.277 176.094 -0.137 0.000 1.064 158 V CA 1.921 64.104 62.300 -0.195 0.000 1.066 158 V CB -0.924 30.742 31.823 -0.261 0.000 0.667 158 V HN 0.506 nan 8.190 nan 0.000 0.461 159 H N -0.346 118.663 119.070 -0.102 0.000 2.299 159 H HA -0.157 4.399 4.556 -0.000 0.000 0.302 159 H C 2.386 177.621 175.328 -0.156 0.000 1.078 159 H CA 1.538 57.523 56.048 -0.106 0.000 1.323 159 H CB -0.034 29.660 29.762 -0.114 0.000 1.381 159 H HN 0.217 nan 8.280 nan 0.000 0.498 160 K N 0.921 121.241 120.400 -0.135 0.000 2.089 160 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 160 K C 1.800 178.298 176.600 -0.171 0.000 1.048 160 K CA 1.363 57.453 56.287 -0.328 0.000 0.926 160 K CB -0.328 31.858 32.500 -0.523 0.000 0.714 160 K HN 0.198 nan 8.250 nan 0.000 0.448 161 I N 0.357 120.872 120.570 -0.093 0.000 2.162 161 I HA -0.146 4.024 4.170 -0.000 0.000 0.238 161 I C 2.337 178.529 176.117 0.125 0.000 1.076 161 I CA 1.547 62.839 61.300 -0.014 0.000 1.353 161 I CB -1.682 36.334 38.000 0.027 0.000 1.063 161 I HN 0.248 nan 8.210 nan 0.000 0.408 162 A N 1.194 124.082 122.820 0.114 0.000 1.903 162 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 162 A C 2.484 180.147 177.584 0.132 0.000 1.191 162 A CA 2.334 54.459 52.037 0.148 0.000 0.638 162 A CB -1.503 17.555 19.000 0.098 0.000 0.823 162 A HN 0.475 nan 8.150 nan 0.000 0.451 163 G N -1.991 106.842 108.800 0.055 0.000 2.422 163 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 163 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 163 G C 1.468 176.356 174.900 -0.020 0.000 1.146 163 G CA 1.268 46.367 45.100 -0.001 0.000 0.769 163 G HN 0.624 nan 8.290 nan 0.000 0.547 164 Y N 0.914 121.097 120.300 -0.196 0.000 2.014 164 Y HA -0.229 4.321 4.550 -0.000 0.000 0.270 164 Y C 2.517 178.229 175.900 -0.313 0.000 1.145 164 Y CA 2.254 60.149 58.100 -0.342 0.000 1.106 164 Y CB -0.541 37.567 38.460 -0.586 0.000 0.968 164 Y HN 0.162 nan 8.280 nan 0.000 0.484 165 F N 0.198 120.245 119.950 0.162 0.000 2.202 165 F HA -0.225 4.302 4.527 -0.000 0.000 0.301 165 F C 2.566 178.390 175.800 0.040 0.000 1.082 165 F CA 1.173 59.141 58.000 -0.054 0.000 1.313 165 F CB -1.320 37.545 39.000 -0.225 0.000 1.024 165 F HN 0.225 nan 8.300 nan 0.000 0.495 166 A N 0.017 122.943 122.820 0.177 0.000 1.865 166 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 166 A C 2.271 179.898 177.584 0.071 0.000 1.191 166 A CA 1.800 53.910 52.037 0.122 0.000 0.623 166 A CB -0.644 18.397 19.000 0.068 0.000 0.826 166 A HN 0.261 nan 8.150 nan 0.000 0.444 167 E N -0.262 119.929 120.200 -0.016 0.000 2.110 167 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 167 E C 2.056 178.629 176.600 -0.044 0.000 0.988 167 E CA 0.626 56.990 56.400 -0.061 0.000 0.804 167 E CB -0.330 29.286 29.700 -0.140 0.000 0.745 167 E HN 0.404 nan 8.360 nan 0.000 0.458 168 R N -0.392 120.094 120.500 -0.024 0.000 2.241 168 R HA -0.071 4.269 4.340 -0.000 0.000 0.224 168 R C 1.430 177.788 176.300 0.095 0.000 1.101 168 R CA 0.904 57.038 56.100 0.056 0.000 0.995 168 R CB -0.405 30.050 30.300 0.259 0.000 0.870 168 R HN 0.334 nan 8.270 nan 0.000 0.463 169 G N -0.226 108.655 108.800 0.136 0.000 2.134 169 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.209 169 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.209 169 G C -0.239 174.705 174.900 0.073 0.000 0.993 169 G CA -0.242 44.895 45.100 0.060 0.000 0.669 169 G HN 0.234 nan 8.290 nan 0.000 0.519 170 Y N 0.796 121.138 120.300 0.071 0.000 2.426 170 Y HA 0.322 4.872 4.550 -0.000 0.000 0.344 170 Y C 1.238 177.167 175.900 0.049 0.000 1.256 170 Y CA -0.200 57.948 58.100 0.080 0.000 1.451 170 Y CB 0.387 38.934 38.460 0.144 0.000 1.342 170 Y HN 0.199 nan 8.280 nan 0.000 0.600 171 N N 1.735 120.551 118.700 0.194 0.000 2.479 171 N HA -0.076 4.664 4.740 -0.000 0.000 0.257 171 N C 1.034 176.603 175.510 0.099 0.000 1.232 171 N CA -0.266 52.847 53.050 0.105 0.000 0.920 171 N CB 0.735 39.261 38.487 0.066 0.000 1.105 171 N HN 0.757 nan 8.380 nan 0.000 0.444 172 L N 5.384 126.648 121.223 0.069 0.000 2.010 172 L HA -0.231 4.109 4.340 -0.000 0.000 0.219 172 L C 2.203 179.092 176.870 0.032 0.000 1.077 172 L CA 2.568 57.441 54.840 0.054 0.000 0.773 172 L CB -1.346 40.740 42.059 0.047 0.000 0.892 172 L HN 0.739 nan 8.230 nan 0.000 0.436 173 A N -1.873 120.960 122.820 0.023 0.000 2.076 173 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 173 A C 2.132 179.701 177.584 -0.025 0.000 1.160 173 A CA 2.207 54.244 52.037 0.001 0.000 0.653 173 A CB -1.123 17.878 19.000 0.001 0.000 0.801 173 A HN 0.654 nan 8.150 nan 0.000 0.455 174 T N -1.282 113.264 114.554 -0.014 0.000 2.978 174 T HA 0.023 4.373 4.350 -0.000 0.000 0.262 174 T C 1.784 176.369 174.700 -0.192 0.000 1.063 174 T CA 0.970 63.017 62.100 -0.087 0.000 1.140 174 T CB -0.255 68.624 68.868 0.019 0.000 0.886 174 T HN 0.132 nan 8.240 nan 0.000 0.470 175 V N 1.881 121.751 119.914 -0.073 0.000 2.223 175 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 175 V C 2.429 178.486 176.094 -0.062 0.000 1.045 175 V CA 1.423 63.697 62.300 -0.044 0.000 1.000 175 V CB -0.831 31.025 31.823 0.054 0.000 0.635 175 V HN 0.301 nan 8.190 nan 0.000 0.445 176 L N 0.270 121.474 121.223 -0.032 0.000 1.997 176 L HA -0.261 4.079 4.340 -0.000 0.000 0.216 176 L C 2.568 179.407 176.870 -0.052 0.000 1.074 176 L CA 2.416 57.239 54.840 -0.028 0.000 0.763 176 L CB -0.811 41.238 42.059 -0.016 0.000 0.890 176 L HN 0.219 nan 8.230 nan 0.000 0.434 177 R N -0.813 119.637 120.500 -0.082 0.000 2.097 177 R HA -0.199 4.141 4.340 -0.000 0.000 0.236 177 R C 2.217 178.455 176.300 -0.103 0.000 1.135 177 R CA 1.955 57.997 56.100 -0.097 0.000 0.934 177 R CB -0.290 29.930 30.300 -0.134 0.000 0.846 177 R HN 0.435 nan 8.270 nan 0.000 0.431 178 E N -0.107 119.963 120.200 -0.217 0.000 2.153 178 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 178 E C 1.790 178.391 176.600 0.002 0.000 0.988 178 E CA 1.182 57.462 56.400 -0.201 0.000 0.811 178 E CB -0.178 29.098 29.700 -0.708 0.000 0.746 178 E HN 0.460 nan 8.360 nan 0.000 0.466 179 A N 1.139 123.951 122.820 -0.014 0.000 1.855 179 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 179 A C 2.225 179.802 177.584 -0.010 0.000 1.191 179 A CA 1.906 53.948 52.037 0.008 0.000 0.613 179 A CB -0.586 18.415 19.000 0.001 0.000 0.829 179 A HN 0.197 nan 8.150 nan 0.000 0.442 180 Q N -1.594 118.201 119.800 -0.007 0.000 2.135 180 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 180 Q C 1.813 177.823 176.000 0.018 0.000 0.981 180 Q CA 2.197 57.993 55.803 -0.012 0.000 0.856 180 Q CB -0.634 28.101 28.738 -0.005 0.000 0.902 180 Q HN 0.676 nan 8.270 nan 0.000 0.425 181 Y N 0.239 120.492 120.300 -0.079 0.000 2.081 181 Y HA -0.279 4.271 4.550 -0.000 0.000 0.280 181 Y C 2.104 177.965 175.900 -0.064 0.000 1.163 181 Y CA 1.925 59.985 58.100 -0.067 0.000 1.135 181 Y CB -1.081 37.336 38.460 -0.070 0.000 0.970 181 Y HN 0.206 nan 8.280 nan 0.000 0.498 182 A N 0.499 123.224 122.820 -0.158 0.000 1.865 182 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 182 A C 2.538 179.974 177.584 -0.246 0.000 1.191 182 A CA 2.657 54.551 52.037 -0.237 0.000 0.623 182 A CB -1.705 17.227 19.000 -0.112 0.000 0.826 182 A HN 0.669 nan 8.150 nan 0.000 0.444 183 A N -0.525 122.183 122.820 -0.187 0.000 1.896 183 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 183 A C 2.336 179.749 177.584 -0.284 0.000 1.206 183 A CA 2.422 54.331 52.037 -0.212 0.000 0.647 183 A CB -1.176 17.729 19.000 -0.159 0.000 0.828 183 A HN 0.521 nan 8.150 nan 0.000 0.455 184 S N -0.083 115.473 115.700 -0.240 0.000 2.595 184 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 184 S C 0.999 175.414 174.600 -0.309 0.000 0.974 184 S CA 0.556 58.608 58.200 -0.247 0.000 0.942 184 S CB -0.328 62.806 63.200 -0.110 0.000 0.766 184 S HN 0.609 nan 8.310 nan 0.000 0.536 185 N N 1.221 119.707 118.700 -0.355 0.000 2.235 185 N HA 0.107 4.847 4.740 -0.000 0.000 0.231 185 N C -0.838 174.525 175.510 -0.246 0.000 1.177 185 N CA 0.171 53.089 53.050 -0.219 0.000 0.874 185 N CB 1.190 39.500 38.487 -0.294 0.000 1.097 185 N HN 0.182 nan 8.380 nan 0.000 0.518 186 T N 0.649 114.853 114.554 -0.583 0.000 2.807 186 T HA 0.555 4.905 4.350 -0.000 0.000 0.279 186 T C -0.711 173.480 174.700 -0.848 0.000 0.993 186 T CA -0.255 61.574 62.100 -0.451 0.000 0.970 186 T CB 0.956 69.650 68.868 -0.289 0.000 0.950 186 T HN -0.088 nan 8.240 nan 0.000 0.441 187 F N 1.126 121.051 119.950 -0.042 0.000 2.562 187 F HA 0.567 5.094 4.527 -0.000 0.000 0.319 187 F C 0.352 176.141 175.800 -0.019 0.000 1.154 187 F CA -0.796 57.185 58.000 -0.032 0.000 0.931 187 F CB 2.007 40.991 39.000 -0.026 0.000 1.198 187 F HN 0.410 nan 8.300 nan 0.000 0.444 188 S N 3.387 119.140 115.700 0.087 0.000 2.536 188 S HA 0.848 5.318 4.470 -0.000 0.000 0.298 188 S C -1.615 173.017 174.600 0.053 0.000 1.083 188 S CA -0.644 57.592 58.200 0.059 0.000 0.995 188 S CB 2.204 65.410 63.200 0.010 0.000 1.058 188 S HN 0.523 nan 8.310 nan 0.000 0.488 189 L N 1.854 123.104 121.223 0.045 0.000 2.505 189 L HA 0.807 5.147 4.340 -0.000 0.000 0.266 189 L C -0.288 176.571 176.870 -0.018 0.000 0.954 189 L CA 0.135 54.985 54.840 0.017 0.000 0.852 189 L CB 1.460 43.535 42.059 0.028 0.000 1.282 189 L HN 0.775 nan 8.230 nan 0.000 0.403 190 G N 2.681 111.445 108.800 -0.061 0.000 2.511 190 G HA2 0.736 4.696 3.960 -0.000 0.000 0.318 190 G HA3 0.736 4.696 3.960 -0.000 0.000 0.318 190 G C -1.902 172.870 174.900 -0.215 0.000 1.210 190 G CA -0.681 44.335 45.100 -0.141 0.000 0.969 190 G HN 0.626 nan 8.290 nan 0.000 0.484 191 V N -0.642 119.045 119.914 -0.378 0.000 3.049 191 V HA 0.887 5.007 4.120 -0.000 0.000 0.309 191 V C -0.762 175.172 176.094 -0.267 0.000 1.148 191 V CA -0.122 61.977 62.300 -0.335 0.000 0.990 191 V CB 2.088 33.632 31.823 -0.464 0.000 1.039 191 V HN 1.596 nan 8.190 nan 0.000 0.430 192 A N 4.129 126.880 122.820 -0.116 0.000 2.547 192 A HA 0.685 5.005 4.320 -0.000 0.000 0.297 192 A C -0.211 177.387 177.584 0.023 0.000 1.056 192 A CA -0.469 51.542 52.037 -0.043 0.000 0.688 192 A CB 1.647 20.632 19.000 -0.025 0.000 1.282 192 A HN 0.782 nan 8.150 nan 0.000 0.400 193 L N 0.809 122.066 121.223 0.057 0.000 2.209 193 L HA 0.154 4.494 4.340 -0.000 0.000 0.207 193 L C 0.983 177.940 176.870 0.144 0.000 1.094 193 L CA 1.412 56.318 54.840 0.110 0.000 0.790 193 L CB -0.098 42.036 42.059 0.125 0.000 0.932 193 L HN 0.869 nan 8.230 nan 0.000 0.447 194 S N -2.378 113.365 115.700 0.072 0.000 2.537 194 S HA 0.349 4.819 4.470 -0.000 0.000 0.271 194 S C -0.461 174.120 174.600 -0.031 0.000 1.148 194 S CA -0.735 57.482 58.200 0.028 0.000 0.868 194 S CB 2.037 65.216 63.200 -0.035 0.000 1.115 194 S HN -0.000 nan 8.310 nan 0.000 0.461 195 S N 0.083 115.747 115.700 -0.060 0.000 2.647 195 S HA 0.459 4.929 4.470 -0.000 0.000 0.251 195 S C 0.736 175.287 174.600 -0.081 0.000 1.320 195 S CA 0.104 58.274 58.200 -0.050 0.000 0.968 195 S CB -0.558 62.617 63.200 -0.042 0.000 1.005 195 S HN 1.547 nan 8.310 nan 0.000 0.576 196 C N -0.099 119.186 119.300 -0.025 0.000 2.399 196 C HA 0.770 5.230 4.460 -0.000 0.000 0.348 196 C C -0.188 174.777 174.990 -0.042 0.000 1.183 196 C CA -1.018 58.000 59.018 0.000 0.000 2.023 196 C CB -0.565 27.281 27.740 0.178 0.000 2.361 196 C HN 0.888 nan 8.230 nan 0.000 0.521 197 H N 0.260 119.415 119.070 0.142 0.000 2.525 197 H HA 0.634 5.190 4.556 -0.000 0.000 0.339 197 H C -0.004 175.446 175.328 0.204 0.000 1.109 197 H CA 0.028 56.167 56.048 0.153 0.000 1.352 197 H CB 0.680 30.531 29.762 0.149 0.000 1.461 197 H HN 0.555 nan 8.280 nan 0.000 0.533 198 L N 3.608 124.956 121.223 0.207 0.000 2.332 198 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 198 L C -1.893 174.792 176.870 -0.308 0.000 1.016 198 L CA -2.251 52.552 54.840 -0.062 0.000 0.809 198 L CB 1.489 43.506 42.059 -0.070 0.000 1.280 198 L HN 0.513 nan 8.230 nan 0.000 0.447 199 P HA 0.078 nan 4.420 nan 0.000 0.220 199 P C -1.271 175.703 177.300 -0.543 0.000 1.778 199 P CA 0.014 62.423 63.100 -1.151 0.000 0.912 199 P CB -0.054 30.553 31.700 -1.821 0.000 1.861 200 Q N -1.327 118.368 119.800 -0.175 0.000 2.647 200 Q HA 0.297 4.637 4.340 -0.000 0.000 0.283 200 Q C -1.403 174.614 176.000 0.029 0.000 0.943 200 Q CA -0.920 54.859 55.803 -0.041 0.000 0.813 200 Q CB 1.188 29.872 28.738 -0.091 0.000 1.477 200 Q HN 0.082 nan 8.270 nan 0.000 0.393 201 E N 1.803 122.032 120.200 0.049 0.000 2.344 201 E HA 0.351 4.701 4.350 -0.000 0.000 0.270 201 E C -0.388 176.231 176.600 0.033 0.000 1.021 201 E CA 0.364 56.792 56.400 0.047 0.000 0.887 201 E CB 0.918 30.643 29.700 0.041 0.000 0.997 201 E HN 0.670 nan 8.360 nan 0.000 0.429 202 T N -0.702 113.876 114.554 0.039 0.000 2.883 202 T HA 0.170 4.520 4.350 -0.000 0.000 0.296 202 T C 0.486 175.207 174.700 0.034 0.000 1.117 202 T CA -0.959 61.162 62.100 0.034 0.000 1.006 202 T CB 1.741 70.633 68.868 0.040 0.000 1.191 202 T HN 0.204 nan 8.240 nan 0.000 0.508 203 D N 1.229 121.646 120.400 0.029 0.000 2.240 203 D HA -0.021 4.619 4.640 -0.000 0.000 0.204 203 D C 0.996 177.314 176.300 0.030 0.000 1.018 203 D CA 2.002 56.018 54.000 0.027 0.000 0.887 203 D CB -0.290 40.525 40.800 0.024 0.000 1.087 203 D HN 0.860 nan 8.370 nan 0.000 0.464 204 A N -0.435 122.404 122.820 0.032 0.000 2.387 204 A HA 0.656 4.976 4.320 -0.000 0.000 0.298 204 A C -0.204 177.403 177.584 0.039 0.000 1.165 204 A CA 0.032 52.090 52.037 0.035 0.000 0.814 204 A CB 1.148 20.167 19.000 0.031 0.000 1.357 204 A HN 0.292 nan 8.150 nan 0.000 0.443 205 A N 0.266 123.110 122.820 0.039 0.000 2.532 205 A HA 0.457 4.777 4.320 -0.000 0.000 0.248 205 A C -2.129 175.455 177.584 -0.000 0.000 1.118 205 A CA -0.096 51.961 52.037 0.034 0.000 0.805 205 A CB -1.296 17.718 19.000 0.022 0.000 1.068 205 A HN 0.586 nan 8.150 nan 0.000 0.518 206 P HA 0.253 nan 4.420 nan 0.000 0.272 206 P C -0.115 177.153 177.300 -0.053 0.000 1.223 206 P CA -0.281 62.766 63.100 -0.088 0.000 0.784 206 P CB 0.393 31.960 31.700 -0.222 0.000 0.923 207 R N 1.623 122.092 120.500 -0.052 0.000 2.619 207 R HA 0.100 4.440 4.340 -0.000 0.000 0.268 207 R C 0.096 176.332 176.300 -0.107 0.000 0.990 207 R CA 1.040 57.087 56.100 -0.088 0.000 1.092 207 R CB -0.197 30.044 30.300 -0.098 0.000 0.935 207 R HN 0.647 nan 8.270 nan 0.000 0.415 208 H N 1.164 120.025 119.070 -0.347 0.000 3.123 208 H HA 0.250 4.806 4.556 -0.000 0.000 0.346 208 H C -1.632 173.489 175.328 -0.345 0.000 1.138 208 H CA -0.730 55.124 56.048 -0.323 0.000 1.273 208 H CB 0.873 30.551 29.762 -0.140 0.000 1.926 208 H HN 0.541 nan 8.280 nan 0.000 0.524 209 H N 4.932 123.678 119.070 -0.540 0.000 2.786 209 H HA 0.271 4.827 4.556 -0.000 0.000 0.284 209 H C -2.576 172.347 175.328 -0.675 0.000 1.104 209 H CA -2.442 53.343 56.048 -0.439 0.000 1.339 209 H CB 0.813 30.513 29.762 -0.103 0.000 1.427 209 H HN 0.449 nan 8.280 nan 0.000 0.497 210 P HA -0.035 nan 4.420 nan 0.000 0.258 210 P C 1.232 178.235 177.300 -0.495 0.000 1.172 210 P CA 1.351 64.187 63.100 -0.440 0.000 0.762 210 P CB 0.361 31.930 31.700 -0.219 0.000 0.764 211 G N 1.846 110.489 108.800 -0.263 0.000 2.284 211 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.261 211 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.261 211 G C 0.146 174.997 174.900 -0.083 0.000 0.997 211 G CA 0.207 45.193 45.100 -0.190 0.000 0.621 211 G HN 0.682 nan 8.290 nan 0.000 0.534 212 H N -0.045 119.026 119.070 0.002 0.000 2.649 212 H HA 0.779 5.335 4.556 -0.000 0.000 0.337 212 H C 0.284 175.645 175.328 0.054 0.000 1.282 212 H CA -0.593 55.465 56.048 0.018 0.000 1.333 212 H CB 1.749 31.505 29.762 -0.011 0.000 1.787 212 H HN 0.671 nan 8.280 nan 0.000 0.632 213 A N 0.750 123.693 122.820 0.204 0.000 2.398 213 A HA 0.293 4.613 4.320 -0.000 0.000 0.301 213 A C -0.897 176.765 177.584 0.129 0.000 1.041 213 A CA -0.675 51.447 52.037 0.142 0.000 0.711 213 A CB 1.309 20.362 19.000 0.088 0.000 1.240 213 A HN 0.781 nan 8.150 nan 0.000 0.420 214 E N 1.993 122.290 120.200 0.161 0.000 2.229 214 E HA 0.459 4.809 4.350 -0.000 0.000 0.283 214 E C -1.164 175.455 176.600 0.031 0.000 1.030 214 E CA -0.387 56.096 56.400 0.138 0.000 0.836 214 E CB 0.798 30.626 29.700 0.214 0.000 1.068 214 E HN 0.614 nan 8.360 nan 0.000 0.401 215 L N 4.529 125.755 121.223 0.005 0.000 2.289 215 L HA 0.493 4.833 4.340 -0.000 0.000 0.285 215 L C 0.669 177.526 176.870 -0.022 0.000 1.049 215 L CA 0.678 55.501 54.840 -0.030 0.000 0.804 215 L CB 1.070 43.111 42.059 -0.030 0.000 1.195 215 L HN 0.847 nan 8.230 nan 0.000 0.428 216 G N 4.189 112.966 108.800 -0.038 0.000 2.182 216 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 216 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 216 G C 0.171 175.067 174.900 -0.008 0.000 1.042 216 G CA 0.298 45.385 45.100 -0.022 0.000 0.775 216 G HN 0.647 nan 8.290 nan 0.000 0.501 217 M N 1.543 121.135 119.600 -0.013 0.000 2.217 217 M HA 0.469 4.949 4.480 -0.000 0.000 0.352 217 M C 1.149 177.444 176.300 -0.009 0.000 1.376 217 M CA 0.499 55.797 55.300 -0.002 0.000 1.107 217 M CB 0.193 32.790 32.600 -0.005 0.000 1.723 217 M HN 0.387 nan 8.290 nan 0.000 0.461 218 G N 4.329 113.133 108.800 0.006 0.000 2.614 218 G HA2 0.210 4.170 3.960 -0.000 0.000 0.239 218 G HA3 0.210 4.170 3.960 -0.000 0.000 0.239 218 G C 0.904 175.762 174.900 -0.071 0.000 1.240 218 G CA -0.488 44.620 45.100 0.014 0.000 0.842 218 G HN 1.028 nan 8.290 nan 0.000 0.584 219 I N -1.467 119.021 120.570 -0.138 0.000 2.361 219 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 219 I C 1.824 177.646 176.117 -0.492 0.000 1.133 219 I CA 1.260 62.429 61.300 -0.218 0.000 1.413 219 I CB -0.458 37.373 38.000 -0.282 0.000 1.073 219 I HN 0.535 nan 8.210 nan 0.000 0.424 220 H N 1.650 120.458 119.070 -0.436 0.000 2.559 220 H HA 0.211 4.767 4.556 -0.000 0.000 0.273 220 H C 1.727 176.658 175.328 -0.662 0.000 1.000 220 H CA 0.914 56.387 56.048 -0.958 0.000 1.195 220 H CB 0.122 29.585 29.762 -0.497 0.000 1.368 220 H HN 0.670 nan 8.280 nan 0.000 0.592 221 G N 0.340 108.994 108.800 -0.244 0.000 2.179 221 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 221 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 221 G C -0.048 174.838 174.900 -0.023 0.000 0.990 221 G CA -0.132 44.913 45.100 -0.091 0.000 0.646 221 G HN 0.410 nan 8.290 nan 0.000 0.517 222 E N 1.796 121.997 120.200 0.000 0.000 2.521 222 E HA 0.297 4.647 4.350 -0.000 0.000 0.270 222 E C -1.773 174.846 176.600 0.031 0.000 1.082 222 E CA 0.053 56.474 56.400 0.036 0.000 0.997 222 E CB 0.399 30.147 29.700 0.081 0.000 0.990 222 E HN 0.330 nan 8.360 nan 0.000 0.458 223 P HA -0.008 nan 4.420 nan 0.000 0.268 223 P C 0.040 177.365 177.300 0.041 0.000 1.204 223 P CA 0.118 63.245 63.100 0.047 0.000 0.768 223 P CB 0.916 32.644 31.700 0.047 0.000 0.842 224 G N 1.935 110.762 108.800 0.044 0.000 2.624 224 G HA2 0.378 4.338 3.960 -0.000 0.000 0.217 224 G HA3 0.378 4.338 3.960 -0.000 0.000 0.217 224 G C 0.877 175.787 174.900 0.018 0.000 1.506 224 G CA 0.288 45.404 45.100 0.027 0.000 1.072 224 G HN 0.506 nan 8.290 nan 0.000 0.568 225 A N -1.237 121.586 122.820 0.006 0.000 1.982 225 A HA 0.526 4.846 4.320 -0.000 0.000 0.217 225 A C 1.648 179.224 177.584 -0.013 0.000 1.457 225 A CA 1.628 53.663 52.037 -0.004 0.000 0.654 225 A CB -0.723 18.271 19.000 -0.009 0.000 1.150 225 A HN 0.959 nan 8.150 nan 0.000 0.509 226 S N -1.973 113.714 115.700 -0.021 0.000 2.776 226 S HA 0.640 5.110 4.470 -0.000 0.000 0.306 226 S C -1.151 173.420 174.600 -0.049 0.000 1.114 226 S CA -0.281 57.895 58.200 -0.039 0.000 0.973 226 S CB 1.440 64.615 63.200 -0.041 0.000 1.250 226 S HN 0.584 nan 8.310 nan 0.000 0.549 227 V N 2.016 121.881 119.914 -0.082 0.000 2.567 227 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 227 V C -0.681 175.348 176.094 -0.108 0.000 1.047 227 V CA -0.566 61.672 62.300 -0.104 0.000 0.880 227 V CB 1.335 33.022 31.823 -0.226 0.000 1.009 227 V HN 0.782 nan 8.190 nan 0.000 0.429 228 I N 4.327 124.864 120.570 -0.056 0.000 2.474 228 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 228 I C 1.144 177.202 176.117 -0.099 0.000 1.048 228 I CA -0.287 60.979 61.300 -0.057 0.000 1.383 228 I CB 1.021 39.018 38.000 -0.005 0.000 1.412 228 I HN 0.776 nan 8.210 nan 0.000 0.531 229 D N 3.127 123.432 120.400 -0.158 0.000 2.348 229 D HA -0.045 4.595 4.640 -0.000 0.000 0.248 229 D C 0.425 176.736 176.300 0.019 0.000 1.142 229 D CA 0.280 54.131 54.000 -0.249 0.000 0.904 229 D CB 0.090 40.763 40.800 -0.212 0.000 0.901 229 D HN 0.558 nan 8.370 nan 0.000 0.523 230 T N -1.393 113.212 114.554 0.084 0.000 2.762 230 T HA 0.273 4.623 4.350 -0.000 0.000 0.301 230 T C -0.813 173.959 174.700 0.120 0.000 1.299 230 T CA -0.512 61.661 62.100 0.122 0.000 1.005 230 T CB 1.827 70.738 68.868 0.071 0.000 1.377 230 T HN -0.093 nan 8.240 nan 0.000 0.504 231 Q N 0.482 120.345 119.800 0.105 0.000 2.164 231 Q HA 0.289 4.628 4.340 -0.000 0.000 0.226 231 Q C 0.220 176.277 176.000 0.096 0.000 0.813 231 Q CA -0.275 55.590 55.803 0.103 0.000 0.978 231 Q CB 0.394 29.190 28.738 0.096 0.000 1.149 231 Q HN 0.590 nan 8.270 nan 0.000 0.489 232 N N 0.965 119.714 118.700 0.081 0.000 2.414 232 N HA -0.081 4.659 4.740 -0.000 0.000 0.268 232 N C 0.927 176.485 175.510 0.079 0.000 1.286 232 N CA 0.670 53.761 53.050 0.068 0.000 0.896 232 N CB 1.020 39.538 38.487 0.053 0.000 1.093 232 N HN 0.290 nan 8.380 nan 0.000 0.480 233 S N 4.708 120.452 115.700 0.074 0.000 2.377 233 S HA -0.282 4.188 4.470 -0.000 0.000 0.224 233 S C 2.001 176.641 174.600 0.066 0.000 1.042 233 S CA 1.473 59.718 58.200 0.075 0.000 1.086 233 S CB -0.868 62.351 63.200 0.032 0.000 0.995 233 S HN 0.683 nan 8.310 nan 0.000 0.428 234 A N 1.889 124.732 122.820 0.039 0.000 1.869 234 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 234 A C 2.427 180.038 177.584 0.045 0.000 1.203 234 A CA 2.142 54.197 52.037 0.031 0.000 0.638 234 A CB -1.291 17.720 19.000 0.018 0.000 0.831 234 A HN 0.723 nan 8.150 nan 0.000 0.450 235 Q N -0.788 119.038 119.800 0.045 0.000 1.985 235 Q HA -0.179 4.161 4.340 -0.000 0.000 0.207 235 Q C 2.218 178.254 176.000 0.060 0.000 0.996 235 Q CA 2.039 57.868 55.803 0.044 0.000 0.851 235 Q CB -0.560 28.201 28.738 0.038 0.000 0.921 235 Q HN 0.473 nan 8.270 nan 0.000 0.418 236 V N 0.410 120.374 119.914 0.083 0.000 2.282 236 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 236 V C 2.287 178.467 176.094 0.143 0.000 1.057 236 V CA 1.728 64.092 62.300 0.107 0.000 1.032 236 V CB -0.552 31.357 31.823 0.144 0.000 0.645 236 V HN 0.221 nan 8.190 nan 0.000 0.447 237 V N 0.327 120.344 119.914 0.171 0.000 2.343 237 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 237 V C 2.328 178.487 176.094 0.108 0.000 1.051 237 V CA 2.057 64.466 62.300 0.181 0.000 1.036 237 V CB -0.871 31.020 31.823 0.113 0.000 0.654 237 V HN 0.563 nan 8.190 nan 0.000 0.451 238 N N 0.427 119.169 118.700 0.071 0.000 2.043 238 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 238 N C 1.805 177.341 175.510 0.042 0.000 1.037 238 N CA 1.809 54.888 53.050 0.047 0.000 0.851 238 N CB -0.745 37.761 38.487 0.032 0.000 1.027 238 N HN 0.432 nan 8.380 nan 0.000 0.422 239 L N 1.193 122.440 121.223 0.040 0.000 2.021 239 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 239 L C 2.117 179.005 176.870 0.029 0.000 1.074 239 L CA 1.724 56.580 54.840 0.027 0.000 0.760 239 L CB -0.895 41.177 42.059 0.022 0.000 0.889 239 L HN 0.171 nan 8.230 nan 0.000 0.433 240 M N -1.392 118.237 119.600 0.049 0.000 2.108 240 M HA -0.205 4.274 4.480 -0.000 0.000 0.261 240 M C 2.096 178.425 176.300 0.048 0.000 1.066 240 M CA 1.965 57.296 55.300 0.051 0.000 1.107 240 M CB -0.591 32.063 32.600 0.091 0.000 1.356 240 M HN 0.254 nan 8.290 nan 0.000 0.406 241 V N 0.451 120.398 119.914 0.054 0.000 2.287 241 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 241 V C 1.888 177.990 176.094 0.013 0.000 1.053 241 V CA 1.921 64.244 62.300 0.039 0.000 1.027 241 V CB -0.894 30.953 31.823 0.040 0.000 0.646 241 V HN 0.410 nan 8.190 nan 0.000 0.447 242 D N 0.491 120.897 120.400 0.010 0.000 2.103 242 D HA -0.192 4.448 4.640 -0.000 0.000 0.190 242 D C 2.206 178.496 176.300 -0.016 0.000 0.997 242 D CA 1.518 55.515 54.000 -0.005 0.000 0.833 242 D CB -0.333 40.465 40.800 -0.004 0.000 0.961 242 D HN 0.437 nan 8.370 nan 0.000 0.447 243 K N 0.238 120.633 120.400 -0.009 0.000 2.281 243 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 243 K C 2.310 178.896 176.600 -0.025 0.000 1.046 243 K CA 0.364 56.642 56.287 -0.014 0.000 0.938 243 K CB -0.069 32.429 32.500 -0.003 0.000 0.737 243 K HN 0.205 nan 8.250 nan 0.000 0.458 244 L N 0.573 121.785 121.223 -0.019 0.000 2.068 244 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 244 L C 2.259 179.067 176.870 -0.103 0.000 1.076 244 L CA 0.645 55.464 54.840 -0.035 0.000 0.753 244 L CB -0.088 41.976 42.059 0.008 0.000 0.910 244 L HN 0.150 nan 8.230 nan 0.000 0.439 245 L N -0.582 120.597 121.223 -0.074 0.000 2.131 245 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 245 L C 2.652 179.452 176.870 -0.116 0.000 1.092 245 L CA 1.003 55.788 54.840 -0.091 0.000 0.759 245 L CB -0.518 41.511 42.059 -0.051 0.000 0.903 245 L HN 0.275 nan 8.230 nan 0.000 0.435 246 A N -0.442 122.321 122.820 -0.096 0.000 2.070 246 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 246 A C 2.003 179.506 177.584 -0.135 0.000 1.159 246 A CA 1.618 53.600 52.037 -0.091 0.000 0.656 246 A CB -0.345 18.620 19.000 -0.059 0.000 0.800 246 A HN 0.415 nan 8.150 nan 0.000 0.453 247 A N -1.464 121.224 122.820 -0.221 0.000 2.508 247 A HA 0.619 4.939 4.320 -0.000 0.000 0.257 247 A C 0.286 177.439 177.584 -0.718 0.000 1.226 247 A CA -0.289 51.540 52.037 -0.346 0.000 0.947 247 A CB 0.098 18.946 19.000 -0.253 0.000 1.079 247 A HN 0.318 nan 8.150 nan 0.000 0.531 248 L N 0.663 121.561 121.223 -0.541 0.000 2.334 248 L HA 0.450 4.790 4.340 -0.000 0.000 0.272 248 L C -2.280 174.434 176.870 -0.260 0.000 1.020 248 L CA -2.351 52.170 54.840 -0.532 0.000 0.812 248 L CB 1.481 43.329 42.059 -0.352 0.000 1.264 248 L HN 0.005 nan 8.230 nan 0.000 0.439 249 P HA -0.095 nan 4.420 nan 0.000 0.267 249 P C 0.223 177.480 177.300 -0.072 0.000 1.195 249 P CA -0.009 63.041 63.100 -0.083 0.000 0.773 249 P CB 0.402 32.081 31.700 -0.036 0.000 0.837 250 E N 0.380 120.551 120.200 -0.049 0.000 2.347 250 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 250 E C -0.039 176.543 176.600 -0.029 0.000 1.008 250 E CA 0.619 56.995 56.400 -0.040 0.000 0.852 250 E CB -0.129 29.553 29.700 -0.029 0.000 0.783 250 E HN 0.527 nan 8.360 nan 0.000 0.505 251 T N -2.701 111.840 114.554 -0.022 0.000 2.923 251 T HA 0.655 5.005 4.350 -0.000 0.000 0.311 251 T C -0.207 174.490 174.700 -0.005 0.000 1.183 251 T CA -0.347 61.746 62.100 -0.013 0.000 1.020 251 T CB 2.056 70.920 68.868 -0.006 0.000 1.165 251 T HN 0.407 nan 8.240 nan 0.000 0.482 252 G N 1.794 110.593 108.800 -0.000 0.000 2.312 252 G HA2 0.366 4.326 3.960 -0.000 0.000 0.322 252 G HA3 0.366 4.326 3.960 -0.000 0.000 0.322 252 G C -1.113 173.796 174.900 0.015 0.000 1.645 252 G CA -1.243 43.865 45.100 0.013 0.000 0.919 252 G HN 0.728 nan 8.290 nan 0.000 0.699 253 R N -0.284 120.233 120.500 0.028 0.000 2.707 253 R HA 0.784 5.124 4.340 -0.000 0.000 0.270 253 R C 0.299 176.636 176.300 0.062 0.000 1.083 253 R CA -0.237 55.885 56.100 0.036 0.000 1.182 253 R CB 0.412 30.744 30.300 0.054 0.000 1.084 253 R HN 1.183 nan 8.270 nan 0.000 0.528 254 L N -2.821 118.450 121.223 0.080 0.000 2.775 254 L HA 0.753 5.093 4.340 -0.000 0.000 0.263 254 L C -1.022 175.942 176.870 0.156 0.000 1.017 254 L CA -1.341 53.563 54.840 0.106 0.000 0.891 254 L CB 1.073 43.176 42.059 0.073 0.000 1.482 254 L HN 0.604 nan 8.230 nan 0.000 0.410 255 A N 0.635 123.557 122.820 0.169 0.000 2.324 255 A HA 0.935 5.255 4.320 -0.000 0.000 0.330 255 A C -0.848 176.817 177.584 0.135 0.000 1.165 255 A CA -0.756 51.405 52.037 0.208 0.000 0.813 255 A CB 1.587 20.700 19.000 0.189 0.000 1.197 255 A HN 0.724 nan 8.150 nan 0.000 0.484 256 V N 3.039 123.029 119.914 0.127 0.000 2.540 256 V HA 0.494 4.614 4.120 -0.000 0.000 0.302 256 V C -0.154 175.988 176.094 0.081 0.000 1.035 256 V CA -0.323 62.033 62.300 0.095 0.000 0.873 256 V CB 1.606 33.478 31.823 0.082 0.000 0.992 256 V HN 0.968 nan 8.190 nan 0.000 0.428 257 M N 6.343 125.985 119.600 0.069 0.000 2.101 257 M HA 0.578 5.058 4.480 -0.000 0.000 0.340 257 M C -1.224 175.112 176.300 0.060 0.000 1.057 257 M CA -0.391 54.937 55.300 0.047 0.000 0.984 257 M CB 0.802 33.422 32.600 0.034 0.000 1.560 257 M HN 0.553 nan 8.290 nan 0.000 0.435 258 I N 5.044 125.642 120.570 0.046 0.000 2.281 258 I HA 0.200 4.370 4.170 -0.000 0.000 0.293 258 I C -0.169 175.988 176.117 0.067 0.000 1.085 258 I CA -0.511 60.824 61.300 0.058 0.000 1.257 258 I CB 0.259 38.261 38.000 0.004 0.000 1.430 258 I HN 0.659 nan 8.210 nan 0.000 0.489 259 N N 6.335 125.105 118.700 0.116 0.000 2.438 259 N HA 0.124 4.864 4.740 -0.000 0.000 0.282 259 N C -0.620 174.984 175.510 0.157 0.000 1.037 259 N CA -0.339 52.780 53.050 0.115 0.000 0.942 259 N CB 1.076 39.626 38.487 0.104 0.000 1.136 259 N HN 0.419 nan 8.380 nan 0.000 0.481 260 N N 4.923 123.698 118.700 0.124 0.000 2.420 260 N HA 0.080 4.820 4.740 -0.000 0.000 0.249 260 N C 0.652 176.239 175.510 0.129 0.000 1.033 260 N CA -0.373 52.759 53.050 0.137 0.000 0.944 260 N CB 0.523 39.066 38.487 0.095 0.000 1.113 260 N HN 0.507 nan 8.380 nan 0.000 0.502 261 L N 3.151 124.456 121.223 0.138 0.000 2.549 261 L HA 0.009 4.349 4.340 -0.000 0.000 0.230 261 L C 1.672 178.614 176.870 0.120 0.000 1.162 261 L CA 1.575 56.486 54.840 0.118 0.000 0.834 261 L CB -1.437 40.678 42.059 0.092 0.000 0.947 261 L HN 0.926 nan 8.230 nan 0.000 0.452 262 G N -1.701 107.164 108.800 0.109 0.000 2.617 262 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.197 262 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.197 262 G C 0.985 175.936 174.900 0.084 0.000 1.017 262 G CA -0.110 45.048 45.100 0.097 0.000 0.713 262 G HN 0.394 nan 8.290 nan 0.000 0.481 263 G N 0.342 109.195 108.800 0.089 0.000 3.651 263 G HA2 0.528 4.488 3.960 -0.000 0.000 0.279 263 G HA3 0.528 4.488 3.960 -0.000 0.000 0.279 263 G C 0.082 175.029 174.900 0.079 0.000 1.024 263 G CA 0.641 45.789 45.100 0.080 0.000 0.813 263 G HN 0.840 nan 8.290 nan 0.000 0.518 264 V N 1.940 121.908 119.914 0.090 0.000 2.509 264 V HA 0.441 4.561 4.120 -0.000 0.000 0.284 264 V C 0.854 176.985 176.094 0.063 0.000 1.047 264 V CA -0.850 61.505 62.300 0.092 0.000 0.952 264 V CB 1.373 33.274 31.823 0.130 0.000 0.988 264 V HN 0.410 nan 8.190 nan 0.000 0.469 265 S N 3.377 119.107 115.700 0.050 0.000 2.572 265 S HA 0.172 4.642 4.470 -0.000 0.000 0.279 265 S C 1.111 175.724 174.600 0.021 0.000 1.341 265 S CA -0.531 57.689 58.200 0.032 0.000 1.043 265 S CB 1.291 64.507 63.200 0.027 0.000 0.887 265 S HN 0.410 nan 8.310 nan 0.000 0.516 266 V N 2.729 122.652 119.914 0.014 0.000 2.392 266 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 266 V C 2.918 179.009 176.094 -0.005 0.000 1.059 266 V CA 2.390 64.692 62.300 0.004 0.000 1.051 266 V CB -1.846 29.979 31.823 0.003 0.000 0.658 266 V HN 1.039 nan 8.190 nan 0.000 0.455 267 A N -0.334 122.485 122.820 -0.002 0.000 1.865 267 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 267 A C 2.185 179.760 177.584 -0.015 0.000 1.191 267 A CA 2.047 54.079 52.037 -0.007 0.000 0.623 267 A CB -0.526 18.474 19.000 -0.001 0.000 0.826 267 A HN 0.617 nan 8.150 nan 0.000 0.444 268 E N -0.880 119.316 120.200 -0.005 0.000 2.058 268 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 268 E C 2.124 178.691 176.600 -0.055 0.000 0.997 268 E CA 1.411 57.804 56.400 -0.011 0.000 0.801 268 E CB -0.266 29.449 29.700 0.025 0.000 0.746 268 E HN 0.440 nan 8.360 nan 0.000 0.450 269 M N 0.286 119.857 119.600 -0.048 0.000 2.144 269 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 269 M C 2.375 178.610 176.300 -0.109 0.000 1.067 269 M CA 1.406 56.651 55.300 -0.092 0.000 1.095 269 M CB -0.994 31.583 32.600 -0.039 0.000 1.365 269 M HN 0.155 nan 8.290 nan 0.000 0.406 270 A N 0.170 122.949 122.820 -0.068 0.000 1.898 270 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 270 A C 2.223 179.763 177.584 -0.073 0.000 1.181 270 A CA 1.195 53.196 52.037 -0.060 0.000 0.620 270 A CB -0.707 18.271 19.000 -0.037 0.000 0.819 270 A HN 0.450 nan 8.150 nan 0.000 0.442 271 I N -0.083 120.445 120.570 -0.071 0.000 2.127 271 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 271 I C 2.232 178.286 176.117 -0.106 0.000 1.075 271 I CA 1.557 62.816 61.300 -0.068 0.000 1.334 271 I CB -0.432 37.538 38.000 -0.048 0.000 1.040 271 I HN 0.295 nan 8.210 nan 0.000 0.405 272 I N 0.463 120.926 120.570 -0.177 0.000 2.399 272 I HA -0.289 3.881 4.170 -0.000 0.000 0.254 272 I C 2.358 178.341 176.117 -0.223 0.000 1.146 272 I CA 1.457 62.579 61.300 -0.297 0.000 1.412 272 I CB -0.643 36.965 38.000 -0.654 0.000 1.076 272 I HN 0.300 nan 8.210 nan 0.000 0.432 273 T N -0.028 114.432 114.554 -0.157 0.000 2.896 273 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 273 T C 2.088 176.749 174.700 -0.066 0.000 1.050 273 T CA 0.660 62.701 62.100 -0.099 0.000 1.140 273 T CB -0.175 68.651 68.868 -0.070 0.000 0.877 273 T HN 0.236 nan 8.240 nan 0.000 0.457 274 R N 1.359 121.820 120.500 -0.066 0.000 2.115 274 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 274 R C 1.871 178.141 176.300 -0.050 0.000 1.111 274 R CA 1.208 57.276 56.100 -0.052 0.000 0.976 274 R CB -0.271 30.001 30.300 -0.048 0.000 0.870 274 R HN 0.325 nan 8.270 nan 0.000 0.445 275 E N 1.053 121.220 120.200 -0.055 0.000 2.031 275 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 275 E C 2.069 178.656 176.600 -0.022 0.000 0.994 275 E CA 1.074 57.452 56.400 -0.037 0.000 0.800 275 E CB -0.615 29.061 29.700 -0.039 0.000 0.752 275 E HN 0.352 nan 8.360 nan 0.000 0.447 276 L N 0.348 121.555 121.223 -0.026 0.000 2.201 276 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 276 L C 2.185 179.070 176.870 0.026 0.000 1.105 276 L CA 1.400 56.245 54.840 0.007 0.000 0.775 276 L CB -0.164 41.899 42.059 0.006 0.000 0.913 276 L HN 0.035 nan 8.230 nan 0.000 0.440 277 A N -0.818 122.003 122.820 0.002 0.000 1.898 277 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 277 A C 2.187 179.729 177.584 -0.069 0.000 1.181 277 A CA 1.787 53.825 52.037 0.002 0.000 0.620 277 A CB -0.597 18.380 19.000 -0.039 0.000 0.819 277 A HN 0.495 nan 8.150 nan 0.000 0.442 278 S N -0.038 115.621 115.700 -0.068 0.000 2.671 278 S HA 0.144 4.614 4.470 -0.000 0.000 0.220 278 S C 0.830 175.417 174.600 -0.021 0.000 0.951 278 S CA 0.375 58.529 58.200 -0.077 0.000 0.932 278 S CB -0.347 62.815 63.200 -0.063 0.000 0.777 278 S HN 0.595 nan 8.310 nan 0.000 0.508 279 S N 2.042 117.751 115.700 0.015 0.000 2.592 279 S HA 0.248 4.718 4.470 -0.000 0.000 0.271 279 S C -2.079 172.553 174.600 0.055 0.000 1.326 279 S CA -1.353 56.868 58.200 0.035 0.000 1.024 279 S CB 0.817 64.044 63.200 0.045 0.000 0.921 279 S HN -0.051 nan 8.310 nan 0.000 0.527 280 P HA -0.011 nan 4.420 nan 0.000 0.234 280 P C 0.829 178.155 177.300 0.043 0.000 1.162 280 P CA 0.384 63.507 63.100 0.037 0.000 0.759 280 P CB 0.084 31.796 31.700 0.020 0.000 0.813 281 L N -2.128 119.127 121.223 0.054 0.000 2.477 281 L HA 0.061 4.401 4.340 -0.000 0.000 0.220 281 L C 2.166 179.066 176.870 0.051 0.000 1.106 281 L CA 1.088 55.953 54.840 0.042 0.000 0.851 281 L CB -0.988 41.094 42.059 0.039 0.000 0.994 281 L HN -0.019 nan 8.230 nan 0.000 0.462 282 H N 0.305 119.371 119.070 -0.006 0.000 2.265 282 H HA -0.220 4.336 4.556 -0.000 0.000 0.293 282 H C 2.114 177.432 175.328 -0.017 0.000 1.089 282 H CA 2.227 58.267 56.048 -0.012 0.000 1.244 282 H CB -0.400 29.353 29.762 -0.016 0.000 1.355 282 H HN 0.469 nan 8.280 nan 0.000 0.485 283 S N -0.216 115.391 115.700 -0.155 0.000 2.559 283 S HA -0.137 4.333 4.470 -0.000 0.000 0.250 283 S C 1.374 175.875 174.600 -0.166 0.000 0.977 283 S CA 1.320 59.408 58.200 -0.186 0.000 0.958 283 S CB -0.240 62.946 63.200 -0.024 0.000 0.751 283 S HN 0.591 nan 8.310 nan 0.000 0.534 284 R N -0.329 120.078 120.500 -0.155 0.000 2.541 284 R HA 0.416 4.756 4.340 -0.000 0.000 0.332 284 R C -0.605 175.643 176.300 -0.087 0.000 0.951 284 R CA -0.150 55.893 56.100 -0.095 0.000 1.136 284 R CB 0.503 30.776 30.300 -0.046 0.000 1.449 284 R HN 0.401 nan 8.270 nan 0.000 0.531 285 I N 1.944 122.427 120.570 -0.144 0.000 2.297 285 I HA 0.126 4.296 4.170 -0.000 0.000 0.291 285 I C 0.132 176.155 176.117 -0.157 0.000 1.033 285 I CA -0.115 61.130 61.300 -0.092 0.000 1.253 285 I CB 1.291 39.255 38.000 -0.059 0.000 1.396 285 I HN -0.042 nan 8.210 nan 0.000 0.476 286 D N 4.912 125.230 120.400 -0.135 0.000 2.360 286 D HA 0.092 4.732 4.640 -0.000 0.000 0.210 286 D C -0.582 175.256 176.300 -0.770 0.000 1.047 286 D CA 0.707 54.458 54.000 -0.415 0.000 0.854 286 D CB 0.376 40.968 40.800 -0.347 0.000 0.936 286 D HN 0.387 nan 8.370 nan 0.000 0.514 287 W N 0.311 121.611 121.300 0.000 0.000 3.213 287 W HA 0.485 5.145 4.660 -0.000 0.000 0.318 287 W C -0.949 175.577 176.519 0.011 0.000 1.248 287 W CA -0.713 56.640 57.345 0.013 0.000 1.187 287 W CB 1.307 30.784 29.460 0.027 0.000 1.403 287 W HN -0.403 nan 8.180 nan 0.000 0.556 288 L N 3.333 124.723 121.223 0.278 0.000 2.386 288 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 288 L C -0.639 176.299 176.870 0.113 0.000 0.993 288 L CA -1.013 53.916 54.840 0.148 0.000 0.819 288 L CB 1.794 43.906 42.059 0.088 0.000 1.294 288 L HN 0.391 nan 8.230 nan 0.000 0.414 289 I N 3.143 123.743 120.570 0.049 0.000 2.502 289 I HA 0.626 4.796 4.170 -0.000 0.000 0.276 289 I C 0.382 176.471 176.117 -0.048 0.000 1.057 289 I CA -0.254 61.021 61.300 -0.042 0.000 1.163 289 I CB 1.234 39.183 38.000 -0.084 0.000 1.288 289 I HN 0.806 nan 8.210 nan 0.000 0.479 290 G N 6.071 114.844 108.800 -0.045 0.000 2.334 290 G HA2 0.027 3.987 3.960 -0.000 0.000 0.315 290 G HA3 0.027 3.987 3.960 -0.000 0.000 0.315 290 G C -3.244 171.645 174.900 -0.018 0.000 1.284 290 G CA -1.042 44.039 45.100 -0.031 0.000 0.985 290 G HN 0.260 nan 8.290 nan 0.000 0.504 291 P HA 0.563 nan 4.420 nan 0.000 0.269 291 P C -0.000 177.294 177.300 -0.009 0.000 1.209 291 P CA 1.003 64.093 63.100 -0.016 0.000 0.776 291 P CB 1.333 33.016 31.700 -0.029 0.000 0.876 292 A N 1.137 123.962 122.820 0.008 0.000 2.569 292 A HA 0.485 4.805 4.320 -0.000 0.000 0.292 292 A C -0.983 176.628 177.584 0.045 0.000 1.032 292 A CA -0.564 51.481 52.037 0.014 0.000 0.669 292 A CB 0.455 19.449 19.000 -0.010 0.000 1.290 292 A HN 0.252 nan 8.150 nan 0.000 0.422 293 S N 1.182 116.913 115.700 0.052 0.000 2.399 293 S HA 0.474 4.944 4.470 -0.000 0.000 0.301 293 S C 0.789 175.452 174.600 0.105 0.000 1.093 293 S CA -0.367 57.880 58.200 0.079 0.000 1.077 293 S CB -0.158 63.084 63.200 0.070 0.000 0.980 293 S HN 0.518 nan 8.310 nan 0.000 0.494 294 L N 2.754 124.063 121.223 0.145 0.000 2.433 294 L HA 0.365 4.705 4.340 -0.000 0.000 0.200 294 L C -0.120 176.909 176.870 0.266 0.000 1.059 294 L CA 0.207 55.204 54.840 0.262 0.000 0.835 294 L CB 0.126 42.333 42.059 0.247 0.000 1.076 294 L HN 0.333 nan 8.230 nan 0.000 0.481 295 V N 1.237 121.245 119.914 0.157 0.000 2.380 295 V HA 0.245 4.365 4.120 -0.000 0.000 0.272 295 V C 0.114 176.284 176.094 0.127 0.000 1.011 295 V CA -0.467 61.901 62.300 0.113 0.000 0.826 295 V CB 1.038 32.867 31.823 0.009 0.000 1.040 295 V HN 0.378 nan 8.190 nan 0.000 0.441 296 T N 1.199 115.865 114.554 0.187 0.000 2.884 296 T HA 0.812 5.162 4.350 -0.000 0.000 0.277 296 T C 0.172 175.069 174.700 0.329 0.000 0.976 296 T CA -0.210 62.011 62.100 0.202 0.000 0.956 296 T CB 2.141 71.106 68.868 0.162 0.000 1.113 296 T HN 0.878 nan 8.240 nan 0.000 0.554 297 A N 1.324 124.305 122.820 0.267 0.000 3.030 297 A HA 0.639 4.959 4.320 -0.000 0.000 0.335 297 A C 0.651 178.414 177.584 0.299 0.000 1.089 297 A CA -0.785 51.454 52.037 0.336 0.000 0.807 297 A CB -1.026 18.095 19.000 0.201 0.000 1.099 297 A HN 1.060 nan 8.150 nan 0.000 0.474 298 L N -0.203 121.157 121.223 0.229 0.000 6.223 298 L HA -0.344 3.996 4.340 -0.000 0.000 0.053 298 L C 1.192 178.148 176.870 0.143 0.000 2.244 298 L CA 1.781 56.722 54.840 0.167 0.000 1.647 298 L CB -0.440 41.744 42.059 0.208 0.000 2.769 298 L HN 0.789 nan 8.230 nan 0.000 1.016 299 D N 0.201 120.690 120.400 0.148 0.000 2.388 299 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 299 D C 0.700 177.062 176.300 0.104 0.000 1.133 299 D CA -0.105 53.966 54.000 0.119 0.000 0.831 299 D CB 0.165 41.044 40.800 0.130 0.000 0.962 299 D HN 0.475 nan 8.370 nan 0.000 0.502 300 M N 1.598 121.261 119.600 0.105 0.000 2.274 300 M HA -0.117 4.363 4.480 -0.000 0.000 0.377 300 M C 0.249 176.589 176.300 0.068 0.000 1.428 300 M CA 0.404 55.746 55.300 0.070 0.000 0.907 300 M CB 0.499 33.146 32.600 0.078 0.000 1.974 300 M HN -0.236 nan 8.290 nan 0.000 0.479 301 K N 4.595 125.025 120.400 0.050 0.000 2.111 301 K HA 0.434 4.754 4.320 -0.000 0.000 0.249 301 K C -0.552 176.092 176.600 0.073 0.000 1.157 301 K CA 0.012 56.340 56.287 0.069 0.000 1.048 301 K CB -0.165 32.371 32.500 0.059 0.000 1.498 301 K HN 0.802 nan 8.250 nan 0.000 0.344 302 G N 2.009 110.859 108.800 0.084 0.000 2.677 302 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 302 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 302 G C -1.608 173.363 174.900 0.118 0.000 1.435 302 G CA -0.963 44.157 45.100 0.035 0.000 0.826 302 G HN 0.360 nan 8.290 nan 0.000 0.491 303 F N -0.347 119.629 119.950 0.042 0.000 2.640 303 F HA 0.913 5.440 4.527 -0.000 0.000 0.324 303 F C -0.056 175.765 175.800 0.036 0.000 1.077 303 F CA -1.199 56.824 58.000 0.039 0.000 0.965 303 F CB 1.924 40.945 39.000 0.035 0.000 1.351 303 F HN 0.784 nan 8.300 nan 0.000 0.487 304 S N 1.270 117.147 115.700 0.295 0.000 2.632 304 S HA 0.857 5.327 4.470 -0.000 0.000 0.289 304 S C -1.695 173.065 174.600 0.268 0.000 1.115 304 S CA -0.810 57.485 58.200 0.159 0.000 0.889 304 S CB 1.837 65.080 63.200 0.072 0.000 1.116 304 S HN 0.878 nan 8.310 nan 0.000 0.486 305 L N 1.700 123.032 121.223 0.181 0.000 2.406 305 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 305 L C -0.826 176.110 176.870 0.110 0.000 0.980 305 L CA -0.454 54.485 54.840 0.165 0.000 0.831 305 L CB 2.441 44.612 42.059 0.187 0.000 1.253 305 L HN 0.784 nan 8.230 nan 0.000 0.406 306 T N 2.217 116.829 114.554 0.095 0.000 2.812 306 T HA 0.695 5.045 4.350 -0.000 0.000 0.282 306 T C -0.337 174.420 174.700 0.094 0.000 0.990 306 T CA -0.478 61.671 62.100 0.082 0.000 0.960 306 T CB 1.888 70.785 68.868 0.049 0.000 0.948 306 T HN 0.611 nan 8.240 nan 0.000 0.438 307 A N 3.502 126.399 122.820 0.128 0.000 2.337 307 A HA 0.896 5.216 4.320 -0.000 0.000 0.329 307 A C -0.777 176.902 177.584 0.159 0.000 1.146 307 A CA -0.763 51.357 52.037 0.138 0.000 0.800 307 A CB 0.706 19.789 19.000 0.138 0.000 1.220 307 A HN 0.910 nan 8.150 nan 0.000 0.472 308 I N 2.701 123.340 120.570 0.115 0.000 2.534 308 I HA 0.423 4.593 4.170 -0.000 0.000 0.288 308 I C -1.012 175.148 176.117 0.072 0.000 1.077 308 I CA -0.845 60.501 61.300 0.077 0.000 1.051 308 I CB 1.929 39.940 38.000 0.018 0.000 1.234 308 I HN 0.417 nan 8.210 nan 0.000 0.425 309 V N 7.744 127.695 119.914 0.063 0.000 2.572 309 V HA 0.072 4.192 4.120 -0.000 0.000 0.291 309 V C 1.092 177.195 176.094 0.014 0.000 1.039 309 V CA -0.153 62.173 62.300 0.043 0.000 1.055 309 V CB 1.225 33.072 31.823 0.039 0.000 0.969 309 V HN 0.684 nan 8.190 nan 0.000 0.482 310 L N 2.618 123.869 121.223 0.048 0.000 2.627 310 L HA 0.127 4.467 4.340 -0.000 0.000 0.233 310 L C 0.969 177.880 176.870 0.068 0.000 1.144 310 L CA -0.025 54.849 54.840 0.058 0.000 0.892 310 L CB -0.344 41.776 42.059 0.101 0.000 1.039 310 L HN 0.655 nan 8.230 nan 0.000 0.442 311 E N 2.017 122.261 120.200 0.073 0.000 2.653 311 E HA -0.097 4.253 4.350 -0.000 0.000 0.264 311 E C 0.650 177.355 176.600 0.175 0.000 0.949 311 E CA 0.447 56.922 56.400 0.125 0.000 0.953 311 E CB 0.148 29.954 29.700 0.175 0.000 0.925 311 E HN 0.317 nan 8.360 nan 0.000 0.475 312 E N 0.697 120.979 120.200 0.137 0.000 3.492 312 E HA -0.351 3.999 4.350 -0.000 0.000 0.303 312 E C 1.264 177.921 176.600 0.094 0.000 1.507 312 E CA 1.194 57.663 56.400 0.115 0.000 2.055 312 E CB -1.364 28.407 29.700 0.118 0.000 1.950 312 E HN 0.681 nan 8.360 nan 0.000 0.470 313 S N 0.659 116.414 115.700 0.092 0.000 2.400 313 S HA -0.281 4.189 4.470 -0.000 0.000 0.234 313 S C 1.921 176.495 174.600 -0.043 0.000 1.049 313 S CA 1.987 60.209 58.200 0.037 0.000 1.039 313 S CB -0.715 62.572 63.200 0.145 0.000 0.856 313 S HN 0.432 nan 8.310 nan 0.000 0.465 314 I N 2.182 122.775 120.570 0.040 0.000 2.093 314 I HA -0.381 3.789 4.170 -0.000 0.000 0.239 314 I C 2.958 179.007 176.117 -0.113 0.000 1.026 314 I CA 2.477 63.755 61.300 -0.037 0.000 1.295 314 I CB -0.598 37.388 38.000 -0.023 0.000 1.007 314 I HN 0.503 nan 8.210 nan 0.000 0.401 315 E N 1.108 121.266 120.200 -0.070 0.000 2.097 315 E HA -0.327 4.023 4.350 -0.000 0.000 0.196 315 E C 2.219 178.718 176.600 -0.168 0.000 1.000 315 E CA 1.893 58.232 56.400 -0.102 0.000 0.804 315 E CB -0.090 29.610 29.700 -0.001 0.000 0.740 315 E HN 0.318 nan 8.360 nan 0.000 0.454 316 K N -0.120 120.184 120.400 -0.160 0.000 2.044 316 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 316 K C 2.014 178.434 176.600 -0.299 0.000 1.049 316 K CA 1.598 57.771 56.287 -0.190 0.000 0.927 316 K CB -0.254 32.127 32.500 -0.197 0.000 0.713 316 K HN 0.211 nan 8.250 nan 0.000 0.443 317 A N 0.931 123.425 122.820 -0.543 0.000 1.968 317 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 317 A C 2.062 179.497 177.584 -0.248 0.000 1.169 317 A CA 0.900 52.576 52.037 -0.602 0.000 0.638 317 A CB -0.446 18.017 19.000 -0.894 0.000 0.812 317 A HN 0.296 nan 8.150 nan 0.000 0.446 318 L N -0.492 120.600 121.223 -0.218 0.000 1.933 318 L HA -0.243 4.097 4.340 -0.000 0.000 0.220 318 L C 2.533 179.348 176.870 -0.091 0.000 1.078 318 L CA 1.798 56.561 54.840 -0.128 0.000 0.773 318 L CB -0.784 41.191 42.059 -0.139 0.000 0.890 318 L HN 0.386 nan 8.230 nan 0.000 0.434 319 L N -0.686 120.410 121.223 -0.212 0.000 2.197 319 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 319 L C 1.031 177.873 176.870 -0.048 0.000 1.095 319 L CA 0.462 55.178 54.840 -0.206 0.000 0.764 319 L CB -1.190 40.665 42.059 -0.340 0.000 0.897 319 L HN 0.275 nan 8.230 nan 0.000 0.436 320 T N 1.373 115.913 114.554 -0.023 0.000 2.871 320 T HA 0.026 4.376 4.350 -0.000 0.000 0.296 320 T C 0.451 175.158 174.700 0.012 0.000 0.998 320 T CA -0.151 61.961 62.100 0.021 0.000 1.162 320 T CB 0.124 69.044 68.868 0.086 0.000 0.947 320 T HN 0.366 nan 8.240 nan 0.000 0.536 321 E N 2.535 122.757 120.200 0.037 0.000 2.390 321 E HA 0.421 4.771 4.350 -0.000 0.000 0.261 321 E C -0.050 176.535 176.600 -0.023 0.000 1.076 321 E CA -0.934 55.510 56.400 0.073 0.000 0.905 321 E CB 0.672 30.438 29.700 0.111 0.000 0.984 321 E HN 0.382 nan 8.360 nan 0.000 0.427 322 V N -0.970 118.926 119.914 -0.029 0.000 3.158 322 V HA 0.431 4.551 4.120 -0.000 0.000 0.311 322 V C -0.468 175.448 176.094 -0.296 0.000 1.181 322 V CA -1.144 61.048 62.300 -0.180 0.000 1.054 322 V CB 1.821 33.490 31.823 -0.257 0.000 1.085 322 V HN 0.826 nan 8.190 nan 0.000 0.446 323 E N 1.643 121.499 120.200 -0.573 0.000 2.989 323 E HA 0.363 4.713 4.350 -0.000 0.000 0.224 323 E C -0.126 175.956 176.600 -0.863 0.000 1.175 323 E CA -0.187 55.432 56.400 -1.301 0.000 1.300 323 E CB 0.799 29.608 29.700 -1.484 0.000 1.422 323 E HN 0.968 nan 8.360 nan 0.000 0.439 324 T N -3.352 111.021 114.554 -0.303 0.000 2.889 324 T HA 0.284 4.634 4.350 -0.000 0.000 0.278 324 T C 1.112 175.924 174.700 0.185 0.000 0.995 324 T CA -0.605 61.474 62.100 -0.035 0.000 0.966 324 T CB 1.754 70.689 68.868 0.112 0.000 1.237 324 T HN -0.023 nan 8.240 nan 0.000 0.591 325 S N -0.274 115.492 115.700 0.111 0.000 2.371 325 S HA 0.069 4.539 4.470 -0.000 0.000 0.219 325 S C 1.253 175.881 174.600 0.046 0.000 1.040 325 S CA 0.573 58.845 58.200 0.120 0.000 0.958 325 S CB -0.630 62.587 63.200 0.029 0.000 0.860 325 S HN 0.763 nan 8.310 nan 0.000 0.487 326 N N -0.056 118.569 118.700 -0.124 0.000 2.177 326 N HA 0.178 4.918 4.740 -0.000 0.000 0.218 326 N C -0.505 174.975 175.510 -0.050 0.000 1.182 326 N CA -0.277 52.681 53.050 -0.152 0.000 0.882 326 N CB 0.210 38.520 38.487 -0.295 0.000 1.052 326 N HN 0.467 nan 8.380 nan 0.000 0.519 327 W N 5.202 126.483 121.300 -0.032 0.000 2.397 327 W HA 0.147 4.807 4.660 -0.000 0.000 0.327 327 W C -2.373 174.249 176.519 0.172 0.000 1.421 327 W CA -0.959 56.534 57.345 0.247 0.000 1.288 327 W CB 0.467 30.112 29.460 0.308 0.000 1.312 327 W HN 0.048 nan 8.180 nan 0.000 0.559 328 P HA 0.162 nan 4.420 nan 0.000 0.276 328 P C -0.889 175.966 177.300 -0.740 0.000 1.244 328 P CA -0.085 62.668 63.100 -0.579 0.000 0.801 328 P CB 1.381 32.803 31.700 -0.463 0.000 1.006 329 T N 2.531 116.935 114.554 -0.250 0.000 2.801 329 T HA 0.332 4.682 4.350 -0.000 0.000 0.306 329 T C -2.302 172.387 174.700 -0.018 0.000 1.020 329 T CA -1.174 60.897 62.100 -0.050 0.000 0.948 329 T CB 0.033 68.948 68.868 0.079 0.000 0.962 329 T HN 0.310 nan 8.240 nan 0.000 0.465 330 P HA 0.026 nan 4.420 nan 0.000 0.264 330 P C -1.017 176.453 177.300 0.283 0.000 1.156 330 P CA 0.149 63.296 63.100 0.078 0.000 0.756 330 P CB 0.376 32.015 31.700 -0.102 0.000 0.764 331 V N 5.920 126.047 119.914 0.356 0.000 2.569 331 V HA 0.329 4.449 4.120 -0.000 0.000 0.301 331 V C -2.218 174.017 176.094 0.236 0.000 1.044 331 V CA -1.906 60.584 62.300 0.316 0.000 0.874 331 V CB 2.298 34.209 31.823 0.146 0.000 1.002 331 V HN 0.516 nan 8.190 nan 0.000 0.424 332 P HA 0.181 nan 4.420 nan 0.000 0.268 332 P C -2.749 174.508 177.300 -0.072 0.000 1.204 332 P CA -1.468 61.511 63.100 -0.203 0.000 0.768 332 P CB 0.068 31.500 31.700 -0.448 0.000 0.842 333 P HA 0.015 nan 4.420 nan 0.000 0.257 333 P C 0.330 177.630 177.300 0.001 0.000 1.189 333 P CA 0.598 63.702 63.100 0.007 0.000 0.780 333 P CB 0.083 31.814 31.700 0.053 0.000 0.772 334 R N 2.802 123.303 120.500 0.002 0.000 2.707 334 R HA 0.177 4.517 4.340 -0.000 0.000 0.270 334 R C 0.657 176.958 176.300 0.001 0.000 1.083 334 R CA -0.159 55.939 56.100 -0.004 0.000 1.182 334 R CB 0.084 30.383 30.300 -0.002 0.000 1.084 334 R HN 0.485 nan 8.270 nan 0.000 0.528 335 E N 2.158 122.355 120.200 -0.005 0.000 2.133 335 E HA 0.175 4.525 4.350 -0.000 0.000 0.274 335 E C -0.405 176.186 176.600 -0.015 0.000 0.930 335 E CA -0.916 55.479 56.400 -0.010 0.000 0.770 335 E CB 0.741 30.438 29.700 -0.006 0.000 1.104 335 E HN 0.435 nan 8.360 nan 0.000 0.403 336 I N 2.375 122.931 120.570 -0.023 0.000 2.668 336 I HA 0.142 4.312 4.170 -0.000 0.000 0.285 336 I C -0.101 176.005 176.117 -0.018 0.000 1.168 336 I CA 0.247 61.535 61.300 -0.021 0.000 1.424 336 I CB 0.669 38.653 38.000 -0.027 0.000 1.377 336 I HN 0.366 nan 8.210 nan 0.000 0.560 337 T N 3.056 117.601 114.554 -0.014 0.000 2.887 337 T HA 0.605 4.955 4.350 -0.000 0.000 0.288 337 T C -0.569 174.125 174.700 -0.010 0.000 1.021 337 T CA -0.752 61.342 62.100 -0.011 0.000 1.000 337 T CB 1.174 70.037 68.868 -0.008 0.000 1.034 337 T HN 0.741 nan 8.240 nan 0.000 0.467 338 C N 3.308 122.602 119.300 -0.010 0.000 2.225 338 C HA 0.584 5.044 4.460 -0.000 0.000 0.323 338 C C 0.599 175.586 174.990 -0.006 0.000 1.164 338 C CA -0.792 58.220 59.018 -0.010 0.000 1.565 338 C CB -0.797 26.936 27.740 -0.012 0.000 2.124 338 C HN 0.807 nan 8.230 nan 0.000 0.461 339 V N 4.983 124.895 119.914 -0.004 0.000 2.649 339 V HA 0.371 4.491 4.120 -0.000 0.000 0.292 339 V C 0.334 176.429 176.094 0.002 0.000 1.055 339 V CA 0.035 62.335 62.300 0.001 0.000 1.023 339 V CB 1.411 33.236 31.823 0.003 0.000 0.992 339 V HN 0.662 nan 8.190 nan 0.000 0.480 340 V N 3.738 123.655 119.914 0.006 0.000 2.881 340 V HA 0.754 4.874 4.120 -0.000 0.000 0.316 340 V C 0.052 176.158 176.094 0.020 0.000 1.070 340 V CA -0.439 61.867 62.300 0.009 0.000 0.976 340 V CB 2.167 33.995 31.823 0.008 0.000 1.038 340 V HN 1.012 nan 8.190 nan 0.000 0.446 341 S N 0.333 116.052 115.700 0.033 0.000 2.634 341 S HA 0.539 5.009 4.470 -0.000 0.000 0.296 341 S C -0.209 174.430 174.600 0.064 0.000 1.104 341 S CA -0.337 57.892 58.200 0.049 0.000 0.920 341 S CB 1.792 65.035 63.200 0.070 0.000 1.111 341 S HN 1.052 nan 8.310 nan 0.000 0.493 342 S N 1.275 117.008 115.700 0.054 0.000 3.869 342 S HA 0.154 4.624 4.470 -0.000 0.000 0.241 342 S C -0.044 174.593 174.600 0.062 0.000 1.363 342 S CA -0.621 57.607 58.200 0.048 0.000 0.894 342 S CB -0.822 62.392 63.200 0.023 0.000 1.519 342 S HN 0.807 nan 8.310 nan 0.000 0.470 343 H N 3.251 122.322 119.070 0.002 0.000 3.067 343 H HA 0.415 4.971 4.556 -0.000 0.000 0.265 343 H C 0.303 175.634 175.328 0.004 0.000 1.234 343 H CA -0.191 55.859 56.048 0.003 0.000 1.452 343 H CB 0.185 29.948 29.762 0.003 0.000 1.527 343 H HN 0.778 nan 8.280 nan 0.000 0.486 344 A N 4.705 127.379 122.820 -0.242 0.000 2.492 344 A HA 0.114 4.434 4.320 -0.000 0.000 0.254 344 A C 0.791 178.250 177.584 -0.209 0.000 1.091 344 A CA 0.138 52.075 52.037 -0.167 0.000 0.768 344 A CB -0.055 18.866 19.000 -0.133 0.000 1.028 344 A HN 0.799 nan 8.150 nan 0.000 0.498 345 S N 2.312 117.991 115.700 -0.035 0.000 2.560 345 S HA 0.316 4.786 4.470 -0.000 0.000 0.284 345 S C 1.100 175.692 174.600 -0.014 0.000 1.327 345 S CA 0.047 58.261 58.200 0.022 0.000 1.055 345 S CB 0.909 64.138 63.200 0.048 0.000 0.868 345 S HN 1.517 nan 8.310 nan 0.000 0.506 346 A N 4.646 127.475 122.820 0.015 0.000 2.044 346 A HA 0.245 4.565 4.320 -0.000 0.000 0.213 346 A C 1.103 178.709 177.584 0.036 0.000 1.169 346 A CA -0.182 51.862 52.037 0.012 0.000 0.724 346 A CB -0.358 18.657 19.000 0.025 0.000 0.840 346 A HN 0.901 nan 8.150 nan 0.000 0.463 347 R N 0.703 121.233 120.500 0.050 0.000 3.252 347 R HA -0.005 4.335 4.340 -0.000 0.000 0.333 347 R C -0.072 176.275 176.300 0.079 0.000 0.722 347 R CA 0.069 56.208 56.100 0.065 0.000 1.078 347 R CB -0.602 29.736 30.300 0.063 0.000 0.898 347 R HN 0.243 nan 8.270 nan 0.000 0.379 348 V N 3.406 123.378 119.914 0.097 0.000 2.617 348 V HA -0.090 4.030 4.120 -0.000 0.000 0.304 348 V C 0.417 176.639 176.094 0.214 0.000 1.040 348 V CA 0.503 62.877 62.300 0.124 0.000 1.149 348 V CB 0.792 32.679 31.823 0.106 0.000 0.914 348 V HN 0.626 nan 8.190 nan 0.000 0.487 349 E N 5.804 126.099 120.200 0.159 0.000 2.277 349 E HA 0.723 5.073 4.350 -0.000 0.000 0.274 349 E C -0.727 176.016 176.600 0.239 0.000 1.022 349 E CA -0.068 56.403 56.400 0.118 0.000 0.853 349 E CB 1.321 31.035 29.700 0.023 0.000 1.086 349 E HN 0.645 nan 8.360 nan 0.000 0.397 350 F N -0.925 119.021 119.950 -0.007 0.000 2.703 350 F HA 0.445 4.972 4.527 -0.000 0.000 0.308 350 F C -1.420 174.374 175.800 -0.009 0.000 1.126 350 F CA -1.017 56.977 58.000 -0.009 0.000 0.959 350 F CB 1.188 40.182 39.000 -0.010 0.000 1.297 350 F HN 0.191 nan 8.300 nan 0.000 0.441 351 Q N 2.528 122.379 119.800 0.085 0.000 2.327 351 Q HA 0.456 4.796 4.340 -0.000 0.000 0.270 351 Q C -2.736 173.336 176.000 0.120 0.000 1.022 351 Q CA -2.011 53.791 55.803 -0.003 0.000 0.773 351 Q CB 2.192 30.922 28.738 -0.014 0.000 1.251 351 Q HN 0.367 nan 8.270 nan 0.000 0.457 352 P HA -0.079 nan 4.420 nan 0.000 0.264 352 P C -1.076 176.272 177.300 0.080 0.000 1.179 352 P CA 0.670 63.858 63.100 0.145 0.000 0.763 352 P CB 0.627 32.391 31.700 0.107 0.000 0.806 353 S N 0.429 116.171 115.700 0.069 0.000 2.618 353 S HA 0.821 5.291 4.470 -0.000 0.000 0.277 353 S C -0.993 173.625 174.600 0.030 0.000 1.138 353 S CA -0.821 57.402 58.200 0.039 0.000 0.844 353 S CB 2.089 65.306 63.200 0.030 0.000 1.127 353 S HN 0.513 nan 8.310 nan 0.000 0.474 354 A N 1.166 123.998 122.820 0.020 0.000 2.330 354 A HA 0.896 5.216 4.320 -0.000 0.000 0.329 354 A C -0.551 177.039 177.584 0.010 0.000 1.135 354 A CA -0.649 51.399 52.037 0.017 0.000 0.817 354 A CB 0.872 19.882 19.000 0.017 0.000 1.269 354 A HN 0.743 nan 8.150 nan 0.000 0.469 355 N N 0.032 118.738 118.700 0.009 0.000 3.321 355 N HA 0.184 4.924 4.740 -0.000 0.000 0.217 355 N C 0.448 175.962 175.510 0.008 0.000 1.405 355 N CA 0.339 53.392 53.050 0.005 0.000 0.799 355 N CB 1.132 39.617 38.487 -0.002 0.000 1.619 355 N HN 0.747 nan 8.380 nan 0.000 0.648 356 A N 3.737 126.563 122.820 0.009 0.000 1.940 356 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 356 A C 2.017 179.607 177.584 0.012 0.000 1.190 356 A CA 1.384 53.427 52.037 0.011 0.000 0.647 356 A CB -0.409 18.597 19.000 0.010 0.000 0.821 356 A HN 0.645 nan 8.150 nan 0.000 0.457 357 L N -0.467 120.762 121.223 0.009 0.000 1.937 357 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 357 L C 2.525 179.403 176.870 0.013 0.000 1.077 357 L CA 2.210 57.057 54.840 0.011 0.000 0.758 357 L CB -0.756 41.308 42.059 0.009 0.000 0.888 357 L HN 0.284 nan 8.230 nan 0.000 0.433 358 V N 0.808 120.728 119.914 0.009 0.000 2.278 358 V HA -0.383 3.737 4.120 -0.000 0.000 0.251 358 V C 2.892 178.994 176.094 0.014 0.000 1.062 358 V CA 2.033 64.341 62.300 0.012 0.000 1.038 358 V CB -1.239 30.583 31.823 -0.002 0.000 0.646 358 V HN 0.674 nan 8.190 nan 0.000 0.447 359 A N 0.303 123.129 122.820 0.010 0.000 1.917 359 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 359 A C 2.435 180.028 177.584 0.016 0.000 1.182 359 A CA 2.124 54.168 52.037 0.011 0.000 0.633 359 A CB -1.300 17.711 19.000 0.018 0.000 0.819 359 A HN 0.589 nan 8.150 nan 0.000 0.448 360 G N -0.194 108.617 108.800 0.018 0.000 2.442 360 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 360 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 360 G C 1.506 176.416 174.900 0.015 0.000 1.141 360 G CA 1.165 46.276 45.100 0.019 0.000 0.763 360 G HN 0.511 nan 8.290 nan 0.000 0.554 361 I N 0.152 120.731 120.570 0.016 0.000 2.162 361 I HA -0.111 4.059 4.170 -0.000 0.000 0.238 361 I C 2.771 178.894 176.117 0.011 0.000 1.076 361 I CA 0.439 61.749 61.300 0.016 0.000 1.353 361 I CB -0.494 37.525 38.000 0.032 0.000 1.063 361 I HN -0.004 nan 8.210 nan 0.000 0.408 362 V N 1.202 121.123 119.914 0.011 0.000 2.370 362 V HA -0.323 3.797 4.120 -0.000 0.000 0.252 362 V C 2.514 178.591 176.094 -0.028 0.000 1.068 362 V CA 2.353 64.647 62.300 -0.010 0.000 1.061 362 V CB -0.783 31.024 31.823 -0.026 0.000 0.656 362 V HN 0.476 nan 8.190 nan 0.000 0.455 363 E N 0.381 120.574 120.200 -0.012 0.000 2.015 363 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 363 E C 1.973 178.577 176.600 0.006 0.000 0.991 363 E CA 1.515 57.914 56.400 -0.001 0.000 0.802 363 E CB -0.552 29.172 29.700 0.040 0.000 0.759 363 E HN 0.366 nan 8.360 nan 0.000 0.447 364 L N -0.027 121.201 121.223 0.008 0.000 2.012 364 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 364 L C 2.315 179.184 176.870 -0.002 0.000 1.073 364 L CA 1.577 56.419 54.840 0.004 0.000 0.748 364 L CB -0.692 41.367 42.059 -0.001 0.000 0.891 364 L HN 0.160 nan 8.230 nan 0.000 0.431 365 V N -0.269 119.640 119.914 -0.008 0.000 2.223 365 V HA -0.341 3.779 4.120 -0.000 0.000 0.244 365 V C 2.739 178.834 176.094 0.002 0.000 1.045 365 V CA 2.393 64.688 62.300 -0.009 0.000 1.000 365 V CB -1.349 30.471 31.823 -0.005 0.000 0.635 365 V HN 0.773 nan 8.190 nan 0.000 0.445 366 T N -0.437 114.110 114.554 -0.011 0.000 2.665 366 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 366 T C 1.899 176.600 174.700 0.001 0.000 1.035 366 T CA 2.012 64.101 62.100 -0.019 0.000 1.151 366 T CB -0.721 68.110 68.868 -0.062 0.000 0.862 366 T HN 0.508 nan 8.240 nan 0.000 0.438 367 A N 1.674 124.497 122.820 0.006 0.000 1.877 367 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 367 A C 2.704 180.304 177.584 0.027 0.000 1.186 367 A CA 2.330 54.381 52.037 0.022 0.000 0.620 367 A CB -1.623 17.395 19.000 0.030 0.000 0.822 367 A HN 0.579 nan 8.150 nan 0.000 0.443 368 T N 0.710 115.278 114.554 0.022 0.000 2.624 368 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 368 T C 1.825 176.552 174.700 0.045 0.000 1.041 368 T CA 1.766 63.882 62.100 0.027 0.000 1.159 368 T CB -0.512 68.369 68.868 0.021 0.000 0.863 368 T HN 0.371 nan 8.240 nan 0.000 0.434 369 L N 0.614 121.873 121.223 0.060 0.000 1.994 369 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 369 L C 2.893 179.812 176.870 0.082 0.000 1.071 369 L CA 1.259 56.156 54.840 0.094 0.000 0.745 369 L CB -0.727 41.408 42.059 0.127 0.000 0.892 369 L HN 0.260 nan 8.230 nan 0.000 0.431 370 S N -0.174 115.562 115.700 0.061 0.000 2.407 370 S HA -0.265 4.205 4.470 -0.000 0.000 0.235 370 S C 1.400 176.029 174.600 0.049 0.000 1.036 370 S CA 2.195 60.426 58.200 0.053 0.000 1.013 370 S CB -0.353 62.870 63.200 0.038 0.000 0.820 370 S HN 0.483 nan 8.310 nan 0.000 0.476 371 D N 0.614 121.040 120.400 0.044 0.000 2.137 371 D HA 0.073 4.713 4.640 -0.000 0.000 0.202 371 D C 1.907 178.234 176.300 0.045 0.000 0.970 371 D CA 0.771 54.793 54.000 0.037 0.000 0.837 371 D CB -0.192 40.623 40.800 0.025 0.000 0.981 371 D HN 0.340 nan 8.370 nan 0.000 0.475 372 L N 0.956 122.211 121.223 0.054 0.000 2.129 372 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 372 L C 2.288 179.206 176.870 0.080 0.000 1.087 372 L CA 1.049 55.932 54.840 0.072 0.000 0.757 372 L CB -0.548 41.557 42.059 0.076 0.000 0.896 372 L HN 0.150 nan 8.230 nan 0.000 0.434 373 E N 0.102 120.342 120.200 0.066 0.000 2.434 373 E HA -0.398 3.952 4.350 -0.000 0.000 0.245 373 E C 1.889 178.516 176.600 0.045 0.000 1.097 373 E CA 2.953 59.387 56.400 0.055 0.000 1.123 373 E CB -0.185 29.546 29.700 0.053 0.000 0.977 373 E HN 0.510 nan 8.360 nan 0.000 0.480 374 T N -1.177 113.410 114.554 0.054 0.000 2.622 374 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 374 T C 1.628 176.364 174.700 0.059 0.000 1.047 374 T CA 1.809 63.939 62.100 0.050 0.000 1.159 374 T CB -0.613 68.289 68.868 0.056 0.000 0.863 374 T HN 0.404 nan 8.240 nan 0.000 0.422 375 H N 0.821 119.886 119.070 -0.009 0.000 2.353 375 H HA 0.077 4.633 4.556 -0.000 0.000 0.300 375 H C 2.022 177.330 175.328 -0.033 0.000 1.090 375 H CA 1.277 57.315 56.048 -0.016 0.000 1.327 375 H CB -0.475 29.280 29.762 -0.011 0.000 1.383 375 H HN 0.242 nan 8.280 nan 0.000 0.508 376 L N -0.129 121.076 121.223 -0.031 0.000 2.141 376 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 376 L C 2.176 178.959 176.870 -0.145 0.000 1.094 376 L CA 0.879 55.642 54.840 -0.129 0.000 0.763 376 L CB -0.358 41.633 42.059 -0.113 0.000 0.908 376 L HN 0.388 nan 8.230 nan 0.000 0.437 377 N N 0.216 118.864 118.700 -0.086 0.000 2.188 377 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 377 N C 1.899 177.355 175.510 -0.090 0.000 1.018 377 N CA 1.385 54.394 53.050 -0.067 0.000 0.858 377 N CB -0.041 38.430 38.487 -0.027 0.000 0.989 377 N HN 0.292 nan 8.380 nan 0.000 0.426 378 A N 1.603 124.352 122.820 -0.118 0.000 1.877 378 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 378 A C 2.385 179.870 177.584 -0.165 0.000 1.186 378 A CA 0.931 52.891 52.037 -0.129 0.000 0.620 378 A CB -0.768 18.147 19.000 -0.143 0.000 0.822 378 A HN 0.200 nan 8.150 nan 0.000 0.443 379 L N -0.675 120.395 121.223 -0.255 0.000 2.046 379 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 379 L C 2.285 179.072 176.870 -0.139 0.000 1.077 379 L CA 1.735 56.445 54.840 -0.218 0.000 0.747 379 L CB -0.657 41.242 42.059 -0.267 0.000 0.896 379 L HN 0.361 nan 8.230 nan 0.000 0.432 380 D N -0.037 120.285 120.400 -0.130 0.000 2.310 380 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 380 D C 2.009 178.269 176.300 -0.066 0.000 0.965 380 D CA 0.987 54.930 54.000 -0.094 0.000 0.879 380 D CB 0.320 41.067 40.800 -0.089 0.000 0.921 380 D HN 0.255 nan 8.370 nan 0.000 0.510 381 A N 0.313 123.093 122.820 -0.068 0.000 1.930 381 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 381 A C 1.983 179.541 177.584 -0.043 0.000 1.176 381 A CA 0.796 52.805 52.037 -0.048 0.000 0.632 381 A CB -0.133 18.840 19.000 -0.045 0.000 0.819 381 A HN 0.064 nan 8.150 nan 0.000 0.445 382 K N -0.411 119.957 120.400 -0.052 0.000 2.418 382 K HA 0.132 4.452 4.320 -0.000 0.000 0.195 382 K C 1.433 178.010 176.600 -0.040 0.000 1.035 382 K CA 0.718 56.980 56.287 -0.043 0.000 1.003 382 K CB 0.104 32.575 32.500 -0.048 0.000 0.793 382 K HN 0.376 nan 8.250 nan 0.000 0.494 383 V N -0.362 119.524 119.914 -0.046 0.000 2.840 383 V HA 0.133 4.253 4.120 -0.000 0.000 0.234 383 V C 1.387 177.462 176.094 -0.032 0.000 1.159 383 V CA 1.348 63.624 62.300 -0.040 0.000 1.194 383 V CB 0.729 32.522 31.823 -0.050 0.000 0.971 383 V HN 0.375 nan 8.190 nan 0.000 0.494 384 G N 0.158 108.938 108.800 -0.034 0.000 3.340 384 G HA2 0.232 4.192 3.960 -0.000 0.000 0.176 384 G HA3 0.232 4.192 3.960 -0.000 0.000 0.176 384 G C -0.603 174.285 174.900 -0.020 0.000 1.103 384 G CA 0.611 45.697 45.100 -0.024 0.000 0.779 384 G HN 0.371 nan 8.290 nan 0.000 0.673 385 D N -0.085 120.307 120.400 -0.014 0.000 2.413 385 D HA 0.249 4.889 4.640 -0.000 0.000 0.237 385 D C 1.459 177.752 176.300 -0.011 0.000 1.171 385 D CA 0.232 54.226 54.000 -0.009 0.000 0.839 385 D CB -0.600 40.200 40.800 -0.000 0.000 0.950 385 D HN 0.974 nan 8.370 nan 0.000 0.499 386 G N 2.115 110.901 108.800 -0.023 0.000 2.450 386 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.302 386 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.302 386 G C 0.393 175.283 174.900 -0.016 0.000 0.957 386 G CA 0.865 45.948 45.100 -0.028 0.000 1.005 386 G HN 0.580 nan 8.290 nan 0.000 0.514 387 D N -2.431 117.965 120.400 -0.008 0.000 2.474 387 D HA 0.071 4.711 4.640 -0.000 0.000 0.213 387 D C 1.676 177.994 176.300 0.030 0.000 1.120 387 D CA 0.766 54.775 54.000 0.015 0.000 0.836 387 D CB -0.574 40.242 40.800 0.027 0.000 1.019 387 D HN 0.181 nan 8.370 nan 0.000 0.507 388 T N 0.748 115.296 114.554 -0.010 0.000 2.555 388 T HA -0.118 4.232 4.350 -0.000 0.000 0.264 388 T C 2.061 176.757 174.700 -0.005 0.000 1.083 388 T CA 2.648 64.720 62.100 -0.047 0.000 1.179 388 T CB -0.983 67.750 68.868 -0.225 0.000 0.863 388 T HN 0.417 nan 8.240 nan 0.000 0.412 389 G N 0.838 109.608 108.800 -0.049 0.000 2.556 389 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 389 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 389 G C 1.939 176.890 174.900 0.085 0.000 1.156 389 G CA 1.531 46.638 45.100 0.011 0.000 0.766 389 G HN 0.518 nan 8.290 nan 0.000 0.583 390 S N 0.017 115.758 115.700 0.068 0.000 2.355 390 S HA -0.104 4.366 4.470 -0.000 0.000 0.222 390 S C 2.592 177.256 174.600 0.106 0.000 1.031 390 S CA 1.768 60.012 58.200 0.073 0.000 0.993 390 S CB -0.510 62.719 63.200 0.048 0.000 0.859 390 S HN 0.519 nan 8.310 nan 0.000 0.453 391 T N 1.894 116.533 114.554 0.143 0.000 2.652 391 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 391 T C 1.420 176.242 174.700 0.204 0.000 1.039 391 T CA 1.286 63.487 62.100 0.169 0.000 1.153 391 T CB -0.513 68.490 68.868 0.226 0.000 0.863 391 T HN 0.273 nan 8.240 nan 0.000 0.428 392 F N 1.632 121.587 119.950 0.009 0.000 2.216 392 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 392 F C 2.580 178.386 175.800 0.009 0.000 1.085 392 F CA 0.233 58.240 58.000 0.012 0.000 1.326 392 F CB -0.952 38.056 39.000 0.014 0.000 1.027 392 F HN 0.150 nan 8.300 nan 0.000 0.497 393 A N -0.198 122.729 122.820 0.178 0.000 1.898 393 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 393 A C 2.474 180.085 177.584 0.044 0.000 1.181 393 A CA 1.456 53.549 52.037 0.094 0.000 0.620 393 A CB -1.248 17.800 19.000 0.080 0.000 0.819 393 A HN 0.274 nan 8.150 nan 0.000 0.442 394 A N 0.251 123.095 122.820 0.039 0.000 1.873 394 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 394 A C 2.545 180.117 177.584 -0.021 0.000 1.193 394 A CA 2.657 54.700 52.037 0.010 0.000 0.629 394 A CB -1.248 17.758 19.000 0.011 0.000 0.826 394 A HN 1.178 nan 8.150 nan 0.000 0.447 395 A N -0.608 122.185 122.820 -0.045 0.000 1.940 395 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 395 A C 2.486 180.020 177.584 -0.083 0.000 1.176 395 A CA 2.334 54.318 52.037 -0.088 0.000 0.631 395 A CB -0.964 17.945 19.000 -0.151 0.000 0.814 395 A HN 1.097 nan 8.150 nan 0.000 0.446 396 A N -0.270 122.522 122.820 -0.047 0.000 1.840 396 A HA -0.093 4.226 4.320 -0.000 0.000 0.214 396 A C 2.193 179.746 177.584 -0.050 0.000 1.198 396 A CA 1.234 53.247 52.037 -0.040 0.000 0.608 396 A CB -0.505 18.499 19.000 0.006 0.000 0.839 396 A HN 0.412 nan 8.150 nan 0.000 0.443 397 R N -0.127 120.358 120.500 -0.025 0.000 2.119 397 R HA -0.222 4.118 4.340 -0.000 0.000 0.246 397 R C 2.042 178.313 176.300 -0.048 0.000 1.146 397 R CA 1.859 57.945 56.100 -0.024 0.000 0.962 397 R CB -0.749 29.551 30.300 -0.001 0.000 0.863 397 R HN 0.720 nan 8.270 nan 0.000 0.442 398 E N 1.075 121.244 120.200 -0.053 0.000 2.031 398 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 398 E C 1.910 178.453 176.600 -0.095 0.000 0.994 398 E CA 1.227 57.590 56.400 -0.063 0.000 0.800 398 E CB -0.139 29.523 29.700 -0.063 0.000 0.752 398 E HN 0.153 nan 8.360 nan 0.000 0.447 399 I N 0.880 121.378 120.570 -0.120 0.000 2.394 399 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 399 I C 2.352 178.366 176.117 -0.172 0.000 1.136 399 I CA 1.190 62.399 61.300 -0.151 0.000 1.425 399 I CB -1.661 36.234 38.000 -0.174 0.000 1.079 399 I HN 0.207 nan 8.210 nan 0.000 0.425 400 A N 0.586 123.298 122.820 -0.180 0.000 1.883 400 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 400 A C 2.643 179.974 177.584 -0.421 0.000 1.186 400 A CA 2.310 54.167 52.037 -0.300 0.000 0.624 400 A CB -0.881 17.998 19.000 -0.202 0.000 0.822 400 A HN 0.438 nan 8.150 nan 0.000 0.444 401 S N -0.261 115.321 115.700 -0.196 0.000 2.363 401 S HA -0.177 4.293 4.470 -0.000 0.000 0.218 401 S C 1.899 176.450 174.600 -0.081 0.000 1.035 401 S CA 1.697 59.846 58.200 -0.086 0.000 1.043 401 S CB -0.666 62.520 63.200 -0.024 0.000 0.986 401 S HN 0.424 nan 8.310 nan 0.000 0.423 402 L N 1.024 122.200 121.223 -0.078 0.000 2.283 402 L HA -0.157 4.183 4.340 -0.000 0.000 0.217 402 L C 2.414 179.247 176.870 -0.062 0.000 1.104 402 L CA 1.094 55.900 54.840 -0.056 0.000 0.772 402 L CB -0.551 41.455 42.059 -0.089 0.000 0.899 402 L HN 0.425 nan 8.230 nan 0.000 0.439 403 L N -1.041 120.102 121.223 -0.133 0.000 2.007 403 L HA -0.186 4.154 4.340 -0.000 0.000 0.205 403 L C 2.405 179.277 176.870 0.003 0.000 1.073 403 L CA 1.788 56.560 54.840 -0.114 0.000 0.744 403 L CB -0.607 41.313 42.059 -0.232 0.000 0.898 403 L HN 0.234 nan 8.230 nan 0.000 0.435 404 H N -0.651 118.418 119.070 -0.002 0.000 2.387 404 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 404 H C 1.434 176.767 175.328 0.009 0.000 1.099 404 H CA 1.016 57.066 56.048 0.003 0.000 1.315 404 H CB -0.008 29.755 29.762 0.002 0.000 1.380 404 H HN 0.289 nan 8.280 nan 0.000 0.513 405 R N 0.992 121.569 120.500 0.128 0.000 2.328 405 R HA -0.045 4.295 4.340 -0.000 0.000 0.206 405 R C 0.190 176.531 176.300 0.070 0.000 0.990 405 R CA 0.077 56.226 56.100 0.082 0.000 1.085 405 R CB 0.193 30.532 30.300 0.065 0.000 0.998 405 R HN 0.312 nan 8.270 nan 0.000 0.484 406 Q N -0.059 119.784 119.800 0.072 0.000 2.450 406 Q HA -0.220 4.120 4.340 -0.000 0.000 0.255 406 Q C 0.199 176.244 176.000 0.075 0.000 1.003 406 Q CA 0.978 56.818 55.803 0.062 0.000 1.097 406 Q CB -0.821 27.949 28.738 0.052 0.000 1.544 406 Q HN 0.330 nan 8.270 nan 0.000 0.531 407 Q N -0.580 119.271 119.800 0.085 0.000 2.222 407 Q HA 0.209 4.549 4.340 -0.000 0.000 0.206 407 Q C -0.001 176.099 176.000 0.166 0.000 0.877 407 Q CA 0.272 56.168 55.803 0.156 0.000 0.958 407 Q CB 0.540 29.375 28.738 0.162 0.000 1.075 407 Q HN 0.463 nan 8.270 nan 0.000 0.483 408 L N 3.092 124.347 121.223 0.055 0.000 2.309 408 L HA 0.297 4.637 4.340 -0.000 0.000 0.282 408 L C -1.741 175.136 176.870 0.012 0.000 1.036 408 L CA -1.867 52.948 54.840 -0.043 0.000 0.806 408 L CB 1.555 43.569 42.059 -0.077 0.000 1.220 408 L HN -0.182 nan 8.230 nan 0.000 0.429 409 P HA 0.057 nan 4.420 nan 0.000 0.237 409 P C 1.048 178.342 177.300 -0.011 0.000 1.723 409 P CA -0.067 63.059 63.100 0.042 0.000 0.882 409 P CB -0.020 31.715 31.700 0.057 0.000 1.810 410 L N -0.613 120.601 121.223 -0.014 0.000 2.151 410 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 410 L C 2.171 179.024 176.870 -0.028 0.000 1.084 410 L CA 1.483 56.309 54.840 -0.023 0.000 0.764 410 L CB -1.272 40.782 42.059 -0.008 0.000 0.891 410 L HN 0.132 nan 8.230 nan 0.000 0.435 411 N N -0.039 118.652 118.700 -0.014 0.000 2.381 411 N HA -0.102 4.638 4.740 -0.000 0.000 0.182 411 N C 0.531 176.018 175.510 -0.038 0.000 1.025 411 N CA 0.743 53.782 53.050 -0.020 0.000 0.888 411 N CB -0.194 38.290 38.487 -0.005 0.000 0.965 411 N HN 0.413 nan 8.380 nan 0.000 0.438 412 N N 0.334 119.006 118.700 -0.046 0.000 2.483 412 N HA 0.174 4.914 4.740 -0.000 0.000 0.267 412 N C 0.612 176.044 175.510 -0.129 0.000 0.998 412 N CA -0.236 52.772 53.050 -0.070 0.000 0.918 412 N CB 1.084 39.551 38.487 -0.034 0.000 1.215 412 N HN -0.083 nan 8.380 nan 0.000 0.500 413 L N 2.621 123.717 121.223 -0.212 0.000 1.988 413 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 413 L C 2.535 179.138 176.870 -0.446 0.000 1.071 413 L CA 1.324 55.909 54.840 -0.425 0.000 0.744 413 L CB -0.522 41.192 42.059 -0.575 0.000 0.893 413 L HN 0.643 nan 8.230 nan 0.000 0.433 414 A N -0.698 121.941 122.820 -0.301 0.000 2.054 414 A HA -0.257 4.063 4.320 -0.000 0.000 0.223 414 A C 2.238 179.788 177.584 -0.056 0.000 1.169 414 A CA 2.579 54.524 52.037 -0.152 0.000 0.655 414 A CB -0.817 18.135 19.000 -0.081 0.000 0.812 414 A HN 0.483 nan 8.150 nan 0.000 0.462 415 T N -1.042 113.472 114.554 -0.068 0.000 3.010 415 T HA 0.054 4.404 4.350 -0.000 0.000 0.252 415 T C 1.754 176.431 174.700 -0.038 0.000 1.047 415 T CA 0.919 63.008 62.100 -0.018 0.000 1.140 415 T CB -0.181 68.692 68.868 0.009 0.000 0.885 415 T HN 0.318 nan 8.240 nan 0.000 0.464 416 L N 0.775 121.953 121.223 -0.075 0.000 2.046 416 L HA 0.118 4.458 4.340 -0.000 0.000 0.208 416 L C 1.923 178.844 176.870 0.085 0.000 1.077 416 L CA 1.660 56.463 54.840 -0.061 0.000 0.747 416 L CB -0.782 41.239 42.059 -0.064 0.000 0.896 416 L HN 0.300 nan 8.230 nan 0.000 0.432 417 F N -0.421 119.496 119.950 -0.054 0.000 2.051 417 F HA -0.278 4.249 4.527 -0.000 0.000 0.296 417 F C 2.564 178.354 175.800 -0.018 0.000 1.122 417 F CA 0.585 58.593 58.000 0.012 0.000 1.201 417 F CB -0.654 38.414 39.000 0.113 0.000 0.978 417 F HN 0.238 nan 8.300 nan 0.000 0.472 418 A N 0.134 123.079 122.820 0.208 0.000 1.997 418 A HA -0.264 4.056 4.320 -0.000 0.000 0.221 418 A C 1.952 179.548 177.584 0.022 0.000 1.172 418 A CA 1.847 53.946 52.037 0.103 0.000 0.645 418 A CB -0.984 18.061 19.000 0.075 0.000 0.813 418 A HN 0.418 nan 8.150 nan 0.000 0.454 419 L N -0.376 120.818 121.223 -0.050 0.000 2.044 419 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 419 L C 2.247 179.018 176.870 -0.166 0.000 1.075 419 L CA 1.596 56.341 54.840 -0.157 0.000 0.747 419 L CB -0.416 41.431 42.059 -0.353 0.000 0.903 419 L HN 0.415 nan 8.230 nan 0.000 0.435 420 I N -0.239 120.206 120.570 -0.208 0.000 2.163 420 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 420 I C 2.473 178.459 176.117 -0.217 0.000 1.085 420 I CA 1.414 62.522 61.300 -0.321 0.000 1.347 420 I CB -1.156 36.442 38.000 -0.670 0.000 1.044 420 I HN 0.465 nan 8.210 nan 0.000 0.408 421 G N 0.044 108.792 108.800 -0.088 0.000 2.476 421 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 421 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 421 G C 1.437 176.347 174.900 0.018 0.000 1.164 421 G CA 0.581 45.715 45.100 0.057 0.000 0.768 421 G HN 0.429 nan 8.290 nan 0.000 0.560 422 E N 0.288 120.486 120.200 -0.004 0.000 2.438 422 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 422 E C 1.648 178.235 176.600 -0.023 0.000 1.110 422 E CA 0.008 56.407 56.400 -0.001 0.000 0.893 422 E CB -0.032 29.674 29.700 0.010 0.000 0.990 422 E HN 0.376 nan 8.360 nan 0.000 0.490 423 R N -1.081 119.388 120.500 -0.051 0.000 2.573 423 R HA 0.170 4.510 4.340 -0.000 0.000 0.224 423 R C 2.266 178.530 176.300 -0.060 0.000 0.904 423 R CA -0.163 55.902 56.100 -0.059 0.000 0.995 423 R CB -0.052 30.192 30.300 -0.093 0.000 1.430 423 R HN 0.161 nan 8.270 nan 0.000 0.631 424 L N 1.494 122.674 121.223 -0.071 0.000 2.012 424 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 424 L C 2.434 179.278 176.870 -0.044 0.000 1.073 424 L CA 2.250 57.048 54.840 -0.070 0.000 0.748 424 L CB -1.160 40.858 42.059 -0.069 0.000 0.891 424 L HN 0.249 nan 8.230 nan 0.000 0.431 425 T N -1.976 112.565 114.554 -0.021 0.000 2.721 425 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 425 T C 1.800 176.493 174.700 -0.012 0.000 1.038 425 T CA 1.540 63.634 62.100 -0.010 0.000 1.145 425 T CB -0.921 67.949 68.868 0.002 0.000 0.858 425 T HN 0.127 nan 8.240 nan 0.000 0.459 426 V N 2.284 122.189 119.914 -0.014 0.000 2.244 426 V HA -0.150 3.970 4.120 -0.000 0.000 0.244 426 V C 3.032 179.118 176.094 -0.012 0.000 1.042 426 V CA 1.748 64.042 62.300 -0.010 0.000 1.006 426 V CB -0.965 30.853 31.823 -0.008 0.000 0.641 426 V HN 0.557 nan 8.190 nan 0.000 0.446 427 V N -0.911 118.990 119.914 -0.022 0.000 2.490 427 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 427 V C 1.004 177.089 176.094 -0.015 0.000 1.061 427 V CA 1.289 63.577 62.300 -0.020 0.000 1.064 427 V CB -1.153 30.651 31.823 -0.031 0.000 0.670 427 V HN 0.594 nan 8.190 nan 0.000 0.461 428 M N 0.971 120.556 119.600 -0.023 0.000 2.181 428 M HA 0.796 5.276 4.480 -0.000 0.000 0.323 428 M C 0.215 176.511 176.300 -0.007 0.000 1.004 428 M CA -0.048 55.243 55.300 -0.016 0.000 0.941 428 M CB 1.507 34.080 32.600 -0.045 0.000 1.579 428 M HN 0.040 nan 8.290 nan 0.000 0.427 429 G N 1.400 110.204 108.800 0.007 0.000 2.510 429 G HA2 0.780 4.740 3.960 -0.000 0.000 0.280 429 G HA3 0.780 4.740 3.960 -0.000 0.000 0.280 429 G C 0.073 174.984 174.900 0.018 0.000 1.386 429 G CA -0.413 44.693 45.100 0.010 0.000 1.047 429 G HN 1.215 nan 8.290 nan 0.000 0.527 430 G N -1.831 106.981 108.800 0.019 0.000 2.819 430 G HA2 0.096 4.056 3.960 -0.000 0.000 0.682 430 G HA3 0.096 4.056 3.960 -0.000 0.000 0.682 430 G C 1.214 176.131 174.900 0.028 0.000 1.481 430 G CA 0.652 45.768 45.100 0.027 0.000 0.904 430 G HN 1.844 nan 8.290 nan 0.000 0.563 431 S N -0.022 115.697 115.700 0.032 0.000 2.380 431 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 431 S C 2.493 177.117 174.600 0.041 0.000 1.043 431 S CA 2.429 60.649 58.200 0.034 0.000 1.038 431 S CB -0.658 62.563 63.200 0.035 0.000 0.872 431 S HN 1.514 nan 8.310 nan 0.000 0.456 432 S N 1.992 117.729 115.700 0.062 0.000 2.369 432 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 432 S C 2.212 176.799 174.600 -0.021 0.000 1.043 432 S CA 1.567 59.804 58.200 0.062 0.000 1.074 432 S CB -1.474 61.822 63.200 0.160 0.000 0.962 432 S HN 0.807 nan 8.310 nan 0.000 0.433 433 G N 0.956 109.738 108.800 -0.030 0.000 2.529 433 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 433 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 433 G C 1.476 176.374 174.900 -0.004 0.000 1.177 433 G CA 1.467 46.542 45.100 -0.042 0.000 0.773 433 G HN 0.467 nan 8.290 nan 0.000 0.573 434 V N 0.877 120.799 119.914 0.013 0.000 2.343 434 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 434 V C 2.933 179.060 176.094 0.056 0.000 1.051 434 V CA 1.631 63.948 62.300 0.029 0.000 1.036 434 V CB -0.491 31.345 31.823 0.021 0.000 0.654 434 V HN 0.351 nan 8.190 nan 0.000 0.451 435 L N -1.353 119.901 121.223 0.052 0.000 2.017 435 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 435 L C 2.484 179.398 176.870 0.074 0.000 1.073 435 L CA 1.585 56.467 54.840 0.071 0.000 0.745 435 L CB -0.527 41.560 42.059 0.047 0.000 0.894 435 L HN 0.296 nan 8.230 nan 0.000 0.432 436 M N -0.847 118.770 119.600 0.028 0.000 2.446 436 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 436 M C 2.264 178.709 176.300 0.241 0.000 1.066 436 M CA 1.332 56.671 55.300 0.064 0.000 1.087 436 M CB -0.399 32.174 32.600 -0.044 0.000 1.406 436 M HN 0.063 nan 8.290 nan 0.000 0.459 437 S N -0.442 115.356 115.700 0.163 0.000 2.371 437 S HA 0.127 4.597 4.470 -0.000 0.000 0.221 437 S C 1.782 176.494 174.600 0.186 0.000 1.036 437 S CA 0.646 58.950 58.200 0.173 0.000 0.965 437 S CB -0.123 63.131 63.200 0.090 0.000 0.845 437 S HN 0.446 nan 8.310 nan 0.000 0.475 438 I N 0.897 121.567 120.570 0.168 0.000 2.248 438 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 438 I C 2.075 178.308 176.117 0.195 0.000 1.107 438 I CA 1.259 62.677 61.300 0.197 0.000 1.373 438 I CB -0.378 37.779 38.000 0.261 0.000 1.055 438 I HN 0.241 nan 8.210 nan 0.000 0.418 439 F N 1.822 121.760 119.950 -0.020 0.000 1.997 439 F HA -0.279 4.248 4.527 -0.000 0.000 0.296 439 F C 2.266 177.934 175.800 -0.220 0.000 1.160 439 F CA 1.746 59.631 58.000 -0.190 0.000 1.176 439 F CB -0.923 37.828 39.000 -0.413 0.000 0.964 439 F HN -0.130 nan 8.300 nan 0.000 0.484 440 F N 0.316 120.224 119.950 -0.070 0.000 2.095 440 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 440 F C 2.561 178.295 175.800 -0.110 0.000 1.104 440 F CA 1.932 59.770 58.000 -0.270 0.000 1.232 440 F CB -1.451 37.448 39.000 -0.169 0.000 0.987 440 F HN -0.028 nan 8.300 nan 0.000 0.475 441 T N 0.012 114.667 114.554 0.169 0.000 2.635 441 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 441 T C 2.224 176.971 174.700 0.078 0.000 1.040 441 T CA 1.654 63.827 62.100 0.122 0.000 1.156 441 T CB -0.752 68.182 68.868 0.110 0.000 0.863 441 T HN 0.345 nan 8.240 nan 0.000 0.430 442 A N 1.089 123.937 122.820 0.045 0.000 1.969 442 A HA 0.226 4.546 4.320 -0.000 0.000 0.218 442 A C 2.589 180.152 177.584 -0.034 0.000 1.169 442 A CA 1.754 53.802 52.037 0.017 0.000 0.635 442 A CB -0.974 18.040 19.000 0.023 0.000 0.810 442 A HN 0.519 nan 8.150 nan 0.000 0.445 443 A N -0.227 122.521 122.820 -0.120 0.000 1.845 443 A HA 0.118 4.438 4.320 -0.000 0.000 0.215 443 A C 2.460 180.133 177.584 0.149 0.000 1.195 443 A CA 1.876 53.852 52.037 -0.102 0.000 0.616 443 A CB -1.559 17.208 19.000 -0.388 0.000 0.832 443 A HN 0.821 nan 8.150 nan 0.000 0.443 444 G N -1.551 107.405 108.800 0.260 0.000 2.485 444 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.221 444 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.221 444 G C 1.450 176.406 174.900 0.093 0.000 1.115 444 G CA 1.327 46.562 45.100 0.225 0.000 0.751 444 G HN 0.477 nan 8.290 nan 0.000 0.567 445 Q N -0.849 118.991 119.800 0.068 0.000 2.403 445 Q HA 0.234 4.574 4.340 -0.000 0.000 0.203 445 Q C 2.109 178.120 176.000 0.020 0.000 0.932 445 Q CA 0.552 56.377 55.803 0.036 0.000 0.945 445 Q CB 0.396 29.154 28.738 0.033 0.000 1.045 445 Q HN 0.403 nan 8.270 nan 0.000 0.511 446 K N -0.910 119.504 120.400 0.023 0.000 2.262 446 K HA 0.197 4.517 4.320 -0.000 0.000 0.200 446 K C 1.436 178.040 176.600 0.008 0.000 1.058 446 K CA 0.495 56.787 56.287 0.008 0.000 0.974 446 K CB 0.002 32.502 32.500 0.000 0.000 0.910 446 K HN 0.150 nan 8.250 nan 0.000 0.484 447 L N 0.882 122.115 121.223 0.016 0.000 2.017 447 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 447 L C 2.260 179.113 176.870 -0.028 0.000 1.073 447 L CA 1.672 56.498 54.840 -0.023 0.000 0.745 447 L CB -0.481 41.527 42.059 -0.085 0.000 0.894 447 L HN 0.277 nan 8.230 nan 0.000 0.432 448 E N 1.268 121.459 120.200 -0.015 0.000 2.065 448 E HA -0.274 4.076 4.350 -0.000 0.000 0.201 448 E C 1.541 178.134 176.600 -0.011 0.000 1.016 448 E CA 1.570 57.963 56.400 -0.013 0.000 0.818 448 E CB -0.264 29.437 29.700 0.002 0.000 0.749 448 E HN 0.575 nan 8.360 nan 0.000 0.453 449 Q N -0.100 119.696 119.800 -0.006 0.000 2.600 449 Q HA 0.198 4.538 4.340 -0.000 0.000 0.276 449 Q C 0.320 176.314 176.000 -0.010 0.000 1.006 449 Q CA 0.264 56.062 55.803 -0.007 0.000 0.942 449 Q CB -0.731 28.003 28.738 -0.006 0.000 1.383 449 Q HN 0.265 nan 8.270 nan 0.000 0.414 450 G N 0.291 109.083 108.800 -0.014 0.000 2.220 450 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.248 450 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.248 450 G C -0.229 174.664 174.900 -0.012 0.000 0.791 450 G CA 0.176 45.267 45.100 -0.015 0.000 1.197 450 G HN 0.932 nan 8.290 nan 0.000 0.336 451 A N 1.910 124.722 122.820 -0.014 0.000 2.587 451 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 451 A C -0.007 177.574 177.584 -0.006 0.000 1.087 451 A CA -0.233 51.800 52.037 -0.007 0.000 0.692 451 A CB 1.010 20.009 19.000 -0.002 0.000 1.291 451 A HN 1.576 nan 8.150 nan 0.000 0.407 452 N N 0.007 118.710 118.700 0.003 0.000 2.399 452 N HA 0.291 5.031 4.740 -0.000 0.000 0.250 452 N C 0.868 176.395 175.510 0.029 0.000 1.272 452 N CA -0.149 52.907 53.050 0.010 0.000 0.928 452 N CB 0.482 38.980 38.487 0.017 0.000 1.158 452 N HN 0.295 nan 8.380 nan 0.000 0.463 453 V N -0.126 119.812 119.914 0.039 0.000 2.380 453 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 453 V C 2.009 178.177 176.094 0.123 0.000 1.063 453 V CA 1.528 63.883 62.300 0.092 0.000 1.055 453 V CB -0.864 31.019 31.823 0.099 0.000 0.657 453 V HN 0.650 nan 8.190 nan 0.000 0.455 454 V N -0.406 119.564 119.914 0.093 0.000 2.548 454 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 454 V C 2.400 178.531 176.094 0.063 0.000 1.055 454 V CA 1.689 64.045 62.300 0.093 0.000 1.065 454 V CB -0.541 31.331 31.823 0.081 0.000 0.681 454 V HN 0.557 nan 8.190 nan 0.000 0.462 455 E N 0.054 120.280 120.200 0.044 0.000 2.208 455 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 455 E C 2.283 178.889 176.600 0.011 0.000 0.988 455 E CA 1.021 57.435 56.400 0.023 0.000 0.828 455 E CB -0.118 29.591 29.700 0.014 0.000 0.763 455 E HN 0.609 nan 8.360 nan 0.000 0.478 456 A N 0.725 123.561 122.820 0.026 0.000 1.872 456 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 456 A C 2.091 179.616 177.584 -0.099 0.000 1.187 456 A CA 0.681 52.724 52.037 0.009 0.000 0.614 456 A CB -0.571 18.497 19.000 0.114 0.000 0.826 456 A HN 0.151 nan 8.150 nan 0.000 0.442 457 L N 0.035 121.216 121.223 -0.069 0.000 2.013 457 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 457 L C 2.603 179.428 176.870 -0.075 0.000 1.073 457 L CA 1.674 56.402 54.840 -0.187 0.000 0.753 457 L CB -0.617 41.483 42.059 0.069 0.000 0.890 457 L HN 0.514 nan 8.230 nan 0.000 0.432 458 N N -0.730 117.979 118.700 0.014 0.000 2.166 458 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 458 N C 1.701 177.215 175.510 0.008 0.000 1.019 458 N CA 1.839 54.914 53.050 0.041 0.000 0.856 458 N CB 0.138 38.643 38.487 0.030 0.000 0.993 458 N HN 0.284 nan 8.380 nan 0.000 0.426 459 T N -0.624 113.904 114.554 -0.042 0.000 2.896 459 T HA 0.014 4.364 4.350 -0.000 0.000 0.263 459 T C 1.698 176.349 174.700 -0.083 0.000 1.050 459 T CA 1.050 63.117 62.100 -0.054 0.000 1.140 459 T CB -0.454 68.381 68.868 -0.055 0.000 0.877 459 T HN 0.382 nan 8.240 nan 0.000 0.457 460 G N 1.350 110.017 108.800 -0.222 0.000 2.462 460 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 460 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 460 G C 1.503 176.447 174.900 0.073 0.000 1.121 460 G CA 0.796 45.677 45.100 -0.365 0.000 0.758 460 G HN 0.432 nan 8.290 nan 0.000 0.559 461 L N 1.021 122.373 121.223 0.214 0.000 2.068 461 L HA 0.340 4.680 4.340 -0.000 0.000 0.204 461 L C 3.034 179.978 176.870 0.123 0.000 1.076 461 L CA 2.015 57.035 54.840 0.299 0.000 0.753 461 L CB -0.738 41.467 42.059 0.245 0.000 0.910 461 L HN 0.174 nan 8.230 nan 0.000 0.439 462 A N -0.890 121.964 122.820 0.057 0.000 1.948 462 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 462 A C 2.172 179.753 177.584 -0.005 0.000 1.177 462 A CA 1.845 53.890 52.037 0.014 0.000 0.636 462 A CB -0.557 18.430 19.000 -0.021 0.000 0.815 462 A HN 0.618 nan 8.150 nan 0.000 0.449 463 Q N -1.234 118.557 119.800 -0.016 0.000 2.083 463 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 463 Q C 2.121 178.120 176.000 -0.000 0.000 0.969 463 Q CA 1.482 57.234 55.803 -0.085 0.000 0.838 463 Q CB -0.516 28.217 28.738 -0.008 0.000 0.900 463 Q HN 0.804 nan 8.270 nan 0.000 0.436 464 M N 0.424 120.093 119.600 0.115 0.000 2.202 464 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 464 M C 1.496 177.847 176.300 0.085 0.000 1.063 464 M CA 1.525 56.910 55.300 0.142 0.000 1.097 464 M CB 0.141 32.824 32.600 0.138 0.000 1.382 464 M HN 0.024 nan 8.290 nan 0.000 0.413 465 K N -0.922 119.511 120.400 0.055 0.000 2.076 465 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 465 K C 1.686 178.294 176.600 0.014 0.000 1.051 465 K CA 1.252 57.559 56.287 0.032 0.000 0.949 465 K CB -0.318 32.202 32.500 0.032 0.000 0.726 465 K HN 0.241 nan 8.250 nan 0.000 0.443 466 F N 0.864 120.716 119.950 -0.163 0.000 2.095 466 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 466 F C 1.686 177.398 175.800 -0.146 0.000 1.104 466 F CA 1.613 59.472 58.000 -0.235 0.000 1.232 466 F CB -0.229 38.495 39.000 -0.458 0.000 0.987 466 F HN 0.032 nan 8.300 nan 0.000 0.475 467 Y N -1.008 119.287 120.300 -0.008 0.000 2.269 467 Y HA 0.099 4.649 4.550 -0.000 0.000 0.294 467 Y C 2.665 178.512 175.900 -0.089 0.000 1.120 467 Y CA 0.305 58.349 58.100 -0.093 0.000 1.159 467 Y CB -0.977 37.520 38.460 0.060 0.000 1.024 467 Y HN 0.060 nan 8.280 nan 0.000 0.532 468 G N -0.466 108.405 108.800 0.118 0.000 2.509 468 G HA2 0.085 4.045 3.960 -0.000 0.000 0.218 468 G HA3 0.085 4.045 3.960 -0.000 0.000 0.218 468 G C 1.665 176.565 174.900 0.001 0.000 1.124 468 G CA 0.684 45.818 45.100 0.057 0.000 0.776 468 G HN 0.580 nan 8.290 nan 0.000 0.547 469 G N -1.091 107.685 108.800 -0.041 0.000 2.189 469 G HA2 0.036 3.996 3.960 -0.000 0.000 0.267 469 G HA3 0.036 3.996 3.960 -0.000 0.000 0.267 469 G C 0.499 175.379 174.900 -0.034 0.000 0.975 469 G CA 0.628 45.691 45.100 -0.061 0.000 0.644 469 G HN 1.466 nan 8.290 nan 0.000 0.537 470 A N -0.136 122.674 122.820 -0.017 0.000 2.309 470 A HA 0.669 4.989 4.320 -0.000 0.000 0.298 470 A C 0.076 177.654 177.584 -0.011 0.000 1.165 470 A CA -0.152 51.877 52.037 -0.012 0.000 0.821 470 A CB 0.802 19.797 19.000 -0.007 0.000 1.102 470 A HN 0.232 nan 8.150 nan 0.000 0.500 471 D N 0.178 120.571 120.400 -0.013 0.000 2.506 471 D HA 0.287 4.926 4.640 -0.000 0.000 0.254 471 D C -0.461 175.830 176.300 -0.016 0.000 1.089 471 D CA -0.351 53.642 54.000 -0.012 0.000 1.050 471 D CB 1.214 42.008 40.800 -0.011 0.000 1.221 471 D HN 0.704 nan 8.370 nan 0.000 0.589 472 E N -0.755 119.434 120.200 -0.018 0.000 2.290 472 E HA 0.374 4.724 4.350 -0.000 0.000 0.277 472 E C 0.503 177.089 176.600 -0.024 0.000 1.035 472 E CA 0.257 56.643 56.400 -0.024 0.000 0.873 472 E CB 0.272 29.956 29.700 -0.027 0.000 1.029 472 E HN 0.627 nan 8.360 nan 0.000 0.419 473 G N 4.337 113.121 108.800 -0.026 0.000 2.211 473 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.201 473 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.201 473 G C 0.254 175.141 174.900 -0.022 0.000 0.997 473 G CA 0.093 45.178 45.100 -0.024 0.000 0.652 473 G HN 0.640 nan 8.290 nan 0.000 0.500 474 D N 1.020 121.407 120.400 -0.022 0.000 2.325 474 D HA 0.274 4.914 4.640 -0.000 0.000 0.234 474 D C 1.244 177.532 176.300 -0.021 0.000 1.122 474 D CA -0.146 53.842 54.000 -0.020 0.000 0.850 474 D CB -0.159 40.630 40.800 -0.018 0.000 0.921 474 D HN 0.568 nan 8.370 nan 0.000 0.513 475 R N -0.327 120.158 120.500 -0.025 0.000 3.209 475 R HA -0.160 4.180 4.340 -0.000 0.000 0.252 475 R C 0.021 176.304 176.300 -0.028 0.000 0.958 475 R CA 0.689 56.772 56.100 -0.027 0.000 0.651 475 R CB -2.418 27.866 30.300 -0.026 0.000 1.142 475 R HN 0.186 nan 8.270 nan 0.000 0.441 476 T N -1.226 113.311 114.554 -0.027 0.000 2.838 476 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 476 T C 1.391 176.074 174.700 -0.028 0.000 1.113 476 T CA -0.465 61.621 62.100 -0.024 0.000 1.008 476 T CB 1.313 70.171 68.868 -0.017 0.000 1.259 476 T HN 0.353 nan 8.240 nan 0.000 0.520 477 M N 1.441 121.028 119.600 -0.021 0.000 2.460 477 M HA 0.077 4.557 4.480 -0.000 0.000 0.263 477 M C 1.172 177.450 176.300 -0.037 0.000 1.071 477 M CA 1.394 56.681 55.300 -0.021 0.000 1.096 477 M CB -0.412 32.191 32.600 0.006 0.000 1.408 477 M HN 0.412 nan 8.290 nan 0.000 0.463 478 I N 1.914 122.462 120.570 -0.036 0.000 2.454 478 I HA -0.216 3.954 4.170 -0.000 0.000 0.254 478 I C 1.164 177.255 176.117 -0.044 0.000 1.156 478 I CA 1.448 62.724 61.300 -0.040 0.000 1.433 478 I CB -1.463 36.521 38.000 -0.027 0.000 1.082 478 I HN 0.323 nan 8.210 nan 0.000 0.432 479 D N 0.980 121.354 120.400 -0.042 0.000 2.309 479 D HA -0.069 4.571 4.640 -0.000 0.000 0.212 479 D C 1.982 178.242 176.300 -0.067 0.000 0.968 479 D CA 1.173 55.143 54.000 -0.050 0.000 0.882 479 D CB 0.201 40.975 40.800 -0.044 0.000 0.918 479 D HN 0.372 nan 8.370 nan 0.000 0.503 480 A N -0.765 122.014 122.820 -0.068 0.000 2.074 480 A HA 0.221 4.541 4.320 -0.000 0.000 0.200 480 A C 1.896 179.405 177.584 -0.124 0.000 1.335 480 A CA -0.269 51.711 52.037 -0.094 0.000 0.922 480 A CB -0.215 18.750 19.000 -0.059 0.000 0.972 480 A HN 0.130 nan 8.150 nan 0.000 0.475 481 L N -0.332 120.843 121.223 -0.080 0.000 1.961 481 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 481 L C 2.799 179.611 176.870 -0.097 0.000 1.072 481 L CA 2.301 57.097 54.840 -0.073 0.000 0.749 481 L CB -0.421 41.598 42.059 -0.066 0.000 0.889 481 L HN 0.629 nan 8.230 nan 0.000 0.432 482 Q N -0.102 119.659 119.800 -0.066 0.000 1.998 482 Q HA -0.246 4.094 4.340 -0.000 0.000 0.209 482 Q C -0.588 175.360 176.000 -0.088 0.000 1.002 482 Q CA 3.004 58.775 55.803 -0.052 0.000 0.858 482 Q CB -0.989 27.725 28.738 -0.039 0.000 0.932 482 Q HN 0.271 nan 8.270 nan 0.000 0.416 483 P HA -0.250 nan 4.420 nan 0.000 0.216 483 P C 0.751 177.940 177.300 -0.185 0.000 1.157 483 P CA 2.322 65.344 63.100 -0.131 0.000 0.880 483 P CB -0.283 31.332 31.700 -0.141 0.000 0.791 484 A N -0.799 121.843 122.820 -0.297 0.000 1.883 484 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 484 A C 2.244 179.639 177.584 -0.315 0.000 1.186 484 A CA 1.668 53.405 52.037 -0.501 0.000 0.624 484 A CB -1.690 16.660 19.000 -1.082 0.000 0.822 484 A HN 0.121 nan 8.150 nan 0.000 0.444 485 L N -0.967 120.151 121.223 -0.176 0.000 2.141 485 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 485 L C 2.589 179.445 176.870 -0.023 0.000 1.094 485 L CA 1.520 56.345 54.840 -0.026 0.000 0.763 485 L CB -0.681 41.408 42.059 0.050 0.000 0.908 485 L HN 0.327 nan 8.230 nan 0.000 0.437 486 T N -1.575 112.950 114.554 -0.049 0.000 2.951 486 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 486 T C 2.128 176.807 174.700 -0.036 0.000 1.073 486 T CA 1.473 63.552 62.100 -0.035 0.000 1.134 486 T CB 0.057 68.900 68.868 -0.042 0.000 0.884 486 T HN 0.238 nan 8.240 nan 0.000 0.479 487 S N 0.405 116.070 115.700 -0.059 0.000 2.414 487 S HA 0.154 4.624 4.470 -0.000 0.000 0.227 487 S C 1.859 176.454 174.600 -0.009 0.000 1.022 487 S CA 0.384 58.559 58.200 -0.043 0.000 0.958 487 S CB -0.247 62.910 63.200 -0.071 0.000 0.797 487 S HN 0.424 nan 8.310 nan 0.000 0.493 488 L N 0.746 121.972 121.223 0.005 0.000 2.313 488 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 488 L C 2.065 178.959 176.870 0.040 0.000 1.119 488 L CA 0.315 55.183 54.840 0.047 0.000 0.809 488 L CB -0.281 41.836 42.059 0.097 0.000 0.933 488 L HN 0.322 nan 8.230 nan 0.000 0.449 489 L N -0.378 120.860 121.223 0.025 0.000 2.291 489 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 489 L C 2.286 179.165 176.870 0.015 0.000 1.120 489 L CA 1.459 56.312 54.840 0.022 0.000 0.799 489 L CB -0.498 41.570 42.059 0.014 0.000 0.925 489 L HN 0.131 nan 8.230 nan 0.000 0.446 490 A N -1.246 121.581 122.820 0.011 0.000 1.922 490 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 490 A C 0.960 178.553 177.584 0.015 0.000 1.370 490 A CA 0.214 52.256 52.037 0.009 0.000 0.627 490 A CB -0.201 18.800 19.000 0.002 0.000 1.060 490 A HN 0.425 nan 8.150 nan 0.000 0.487 491 Q N 0.266 120.077 119.800 0.019 0.000 2.655 491 Q HA 0.242 4.582 4.340 -0.000 0.000 0.228 491 Q C -2.159 173.864 176.000 0.038 0.000 1.186 491 Q CA -1.938 53.881 55.803 0.026 0.000 1.004 491 Q CB 0.747 29.500 28.738 0.025 0.000 1.242 491 Q HN 0.325 nan 8.270 nan 0.000 0.558 492 P HA -0.194 nan 4.420 nan 0.000 0.220 492 P C 0.744 178.082 177.300 0.064 0.000 1.144 492 P CA 1.344 64.476 63.100 0.053 0.000 0.800 492 P CB 0.283 32.009 31.700 0.044 0.000 0.772 493 K N -2.262 118.172 120.400 0.055 0.000 2.355 493 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 493 K C 0.455 177.094 176.600 0.065 0.000 1.039 493 K CA -0.124 56.198 56.287 0.058 0.000 1.075 493 K CB 0.103 32.630 32.500 0.044 0.000 0.870 493 K HN -0.057 nan 8.250 nan 0.000 0.540 494 N N 2.152 120.891 118.700 0.066 0.000 2.555 494 N HA 0.054 4.794 4.740 -0.000 0.000 0.244 494 N C 0.675 176.245 175.510 0.101 0.000 1.114 494 N CA 0.100 53.192 53.050 0.070 0.000 0.963 494 N CB 0.361 38.881 38.487 0.055 0.000 1.276 494 N HN 0.132 nan 8.380 nan 0.000 0.510 495 L N 1.540 122.835 121.223 0.120 0.000 2.217 495 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 495 L C 2.129 179.125 176.870 0.210 0.000 1.107 495 L CA 0.599 55.546 54.840 0.179 0.000 0.783 495 L CB -0.100 42.054 42.059 0.158 0.000 0.919 495 L HN 0.466 nan 8.230 nan 0.000 0.442 496 Q N 0.754 120.650 119.800 0.161 0.000 2.046 496 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 496 Q C 2.245 178.370 176.000 0.207 0.000 0.975 496 Q CA 2.056 57.979 55.803 0.200 0.000 0.836 496 Q CB -0.231 28.584 28.738 0.128 0.000 0.896 496 Q HN 0.383 nan 8.270 nan 0.000 0.428 497 A N 0.497 123.388 122.820 0.119 0.000 1.892 497 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 497 A C 2.311 179.907 177.584 0.020 0.000 1.188 497 A CA 2.296 54.368 52.037 0.059 0.000 0.631 497 A CB -1.317 17.706 19.000 0.038 0.000 0.822 497 A HN 0.549 nan 8.150 nan 0.000 0.447 498 A N -1.357 121.486 122.820 0.038 0.000 1.969 498 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 498 A C 2.007 179.526 177.584 -0.109 0.000 1.169 498 A CA 1.516 53.507 52.037 -0.077 0.000 0.635 498 A CB -0.672 18.306 19.000 -0.036 0.000 0.810 498 A HN 0.782 nan 8.150 nan 0.000 0.445 499 F N 1.413 121.369 119.950 0.010 0.000 2.051 499 F HA -0.195 4.332 4.527 -0.000 0.000 0.296 499 F C 1.710 177.506 175.800 -0.007 0.000 1.122 499 F CA 2.195 60.231 58.000 0.060 0.000 1.201 499 F CB -0.796 38.267 39.000 0.105 0.000 0.978 499 F HN 0.311 nan 8.300 nan 0.000 0.472 500 D N 0.199 120.361 120.400 -0.397 0.000 2.133 500 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 500 D C 2.298 178.354 176.300 -0.407 0.000 0.997 500 D CA 1.759 55.465 54.000 -0.490 0.000 0.840 500 D CB -0.431 40.301 40.800 -0.113 0.000 0.947 500 D HN 0.402 nan 8.370 nan 0.000 0.452 501 A N 0.371 123.022 122.820 -0.282 0.000 1.883 501 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 501 A C 2.329 179.748 177.584 -0.276 0.000 1.186 501 A CA 2.486 54.381 52.037 -0.237 0.000 0.624 501 A CB -1.104 17.772 19.000 -0.206 0.000 0.822 501 A HN 0.316 nan 8.150 nan 0.000 0.444 502 A N -1.276 121.333 122.820 -0.353 0.000 1.855 502 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 502 A C 2.153 179.578 177.584 -0.265 0.000 1.191 502 A CA 2.129 53.992 52.037 -0.290 0.000 0.613 502 A CB -0.607 18.240 19.000 -0.256 0.000 0.829 502 A HN 0.500 nan 8.150 nan 0.000 0.442 503 Q N 0.044 119.581 119.800 -0.438 0.000 2.152 503 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 503 Q C 1.998 177.870 176.000 -0.214 0.000 0.985 503 Q CA 2.263 57.850 55.803 -0.360 0.000 0.863 503 Q CB -0.671 27.683 28.738 -0.641 0.000 0.904 503 Q HN 0.584 nan 8.270 nan 0.000 0.422 504 A N -0.580 122.109 122.820 -0.219 0.000 1.855 504 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 504 A C 2.316 179.835 177.584 -0.109 0.000 1.191 504 A CA 1.567 53.521 52.037 -0.139 0.000 0.613 504 A CB -1.367 17.555 19.000 -0.130 0.000 0.829 504 A HN 0.527 nan 8.150 nan 0.000 0.442 505 G N -0.403 108.324 108.800 -0.121 0.000 2.446 505 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.217 505 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.217 505 G C 1.738 176.594 174.900 -0.075 0.000 1.168 505 G CA 1.522 46.566 45.100 -0.093 0.000 0.771 505 G HN 0.852 nan 8.290 nan 0.000 0.551 506 A N 0.644 123.417 122.820 -0.079 0.000 2.024 506 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 506 A C 2.148 179.707 177.584 -0.041 0.000 1.164 506 A CA 1.972 53.979 52.037 -0.051 0.000 0.643 506 A CB -0.325 18.652 19.000 -0.039 0.000 0.806 506 A HN 0.496 nan 8.150 nan 0.000 0.451 507 E N -0.762 119.408 120.200 -0.049 0.000 2.158 507 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 507 E C 2.247 178.827 176.600 -0.033 0.000 0.982 507 E CA 0.575 56.954 56.400 -0.036 0.000 0.823 507 E CB -0.062 29.614 29.700 -0.040 0.000 0.766 507 E HN 0.582 nan 8.360 nan 0.000 0.468 508 R N 0.308 120.784 120.500 -0.040 0.000 2.081 508 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 508 R C 2.616 178.898 176.300 -0.031 0.000 1.131 508 R CA 1.780 57.859 56.100 -0.035 0.000 0.960 508 R CB -0.706 29.570 30.300 -0.039 0.000 0.856 508 R HN 0.230 nan 8.270 nan 0.000 0.436 509 T N -2.043 112.491 114.554 -0.033 0.000 2.977 509 T HA -0.170 4.180 4.350 -0.000 0.000 0.271 509 T C 2.013 176.697 174.700 -0.027 0.000 1.105 509 T CA 1.098 63.180 62.100 -0.030 0.000 1.116 509 T CB -0.513 68.335 68.868 -0.033 0.000 0.878 509 T HN 0.301 nan 8.240 nan 0.000 0.509 510 C N 0.281 119.567 119.300 -0.024 0.000 2.495 510 C HA 0.434 4.894 4.460 -0.000 0.000 0.275 510 C C 1.887 176.866 174.990 -0.017 0.000 1.392 510 C CA -0.269 58.737 59.018 -0.019 0.000 1.766 510 C CB -1.294 26.438 27.740 -0.013 0.000 1.933 510 C HN 0.638 nan 8.230 nan 0.000 0.519 511 L N 1.279 122.491 121.223 -0.019 0.000 2.737 511 L HA 0.168 4.508 4.340 -0.000 0.000 0.236 511 L C 0.667 177.527 176.870 -0.017 0.000 1.219 511 L CA 0.333 55.163 54.840 -0.017 0.000 1.021 511 L CB -0.413 41.635 42.059 -0.018 0.000 1.291 511 L HN 0.452 nan 8.230 nan 0.000 0.470 512 S N -3.020 112.669 115.700 -0.018 0.000 2.630 512 S HA 0.131 4.601 4.470 -0.000 0.000 0.173 512 S C -0.253 174.336 174.600 -0.018 0.000 1.048 512 S CA -0.616 57.573 58.200 -0.017 0.000 1.172 512 S CB 0.481 63.670 63.200 -0.018 0.000 1.638 512 S HN 0.116 nan 8.310 nan 0.000 0.429 513 S N 1.173 116.863 115.700 -0.017 0.000 2.655 513 S HA 0.652 5.122 4.470 -0.000 0.000 0.265 513 S C 0.427 175.018 174.600 -0.016 0.000 1.240 513 S CA -0.251 57.939 58.200 -0.018 0.000 0.986 513 S CB 1.232 64.421 63.200 -0.018 0.000 0.985 513 S HN 0.652 nan 8.310 nan 0.000 0.562 514 K N -0.088 120.302 120.400 -0.017 0.000 2.652 514 K HA 0.283 4.603 4.320 -0.000 0.000 0.169 514 K C -0.147 176.444 176.600 -0.015 0.000 1.238 514 K CA -0.095 56.183 56.287 -0.015 0.000 1.147 514 K CB 0.280 32.772 32.500 -0.014 0.000 0.985 514 K HN 0.658 nan 8.250 nan 0.000 0.508 530 G N -1.169 107.633 108.800 0.004 0.000 3.192 530 G HA2 0.100 4.060 3.960 -0.000 0.000 0.239 530 G HA3 0.100 4.060 3.960 -0.000 0.000 0.239 530 G C 0.651 175.532 174.900 -0.031 0.000 1.084 530 G CA -0.011 45.080 45.100 -0.014 0.000 0.784 530 G HN 0.393 nan 8.290 nan 0.000 0.540 531 N N 0.030 118.715 118.700 -0.024 0.000 2.236 531 N HA 0.208 4.948 4.740 -0.000 0.000 0.196 531 N C 0.704 176.193 175.510 -0.035 0.000 1.114 531 N CA -0.347 52.686 53.050 -0.029 0.000 0.859 531 N CB 0.445 38.919 38.487 -0.021 0.000 0.982 531 N HN 0.229 nan 8.380 nan 0.000 0.493 532 M N 1.825 121.405 119.600 -0.033 0.000 2.248 532 M HA -0.032 4.448 4.480 -0.000 0.000 0.345 532 M C -0.354 175.913 176.300 -0.056 0.000 1.243 532 M CA 0.222 55.502 55.300 -0.034 0.000 1.090 532 M CB 0.503 33.096 32.600 -0.011 0.000 1.683 532 M HN -0.043 nan 8.290 nan 0.000 0.450 533 D N 6.068 126.437 120.400 -0.052 0.000 2.371 533 D HA 0.166 4.806 4.640 -0.000 0.000 0.256 533 D C -1.962 174.284 176.300 -0.090 0.000 1.193 533 D CA -1.477 52.483 54.000 -0.067 0.000 0.881 533 D CB 1.146 41.914 40.800 -0.054 0.000 1.143 533 D HN 0.306 nan 8.370 nan 0.000 0.473 534 P HA -0.129 nan 4.420 nan 0.000 0.216 534 P C 1.326 178.482 177.300 -0.241 0.000 1.157 534 P CA 1.451 64.435 63.100 -0.193 0.000 0.880 534 P CB 0.060 31.619 31.700 -0.235 0.000 0.791 535 G N 0.134 108.799 108.800 -0.225 0.000 2.514 535 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 535 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 535 G C 1.691 176.539 174.900 -0.086 0.000 1.198 535 G CA 1.483 46.472 45.100 -0.185 0.000 0.780 535 G HN 0.351 nan 8.290 nan 0.000 0.565 536 A N 0.592 123.378 122.820 -0.056 0.000 1.869 536 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 536 A C 2.354 179.936 177.584 -0.003 0.000 1.203 536 A CA 2.882 54.903 52.037 -0.026 0.000 0.638 536 A CB -0.934 18.046 19.000 -0.033 0.000 0.831 536 A HN 0.509 nan 8.150 nan 0.000 0.450 537 Q N -0.275 119.519 119.800 -0.010 0.000 2.029 537 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 537 Q C 2.056 178.085 176.000 0.048 0.000 0.999 537 Q CA 3.085 58.908 55.803 0.033 0.000 0.857 537 Q CB -0.795 27.971 28.738 0.046 0.000 0.926 537 Q HN 0.632 nan 8.270 nan 0.000 0.415 538 A N 0.302 123.116 122.820 -0.011 0.000 1.896 538 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 538 A C 2.222 179.870 177.584 0.106 0.000 1.206 538 A CA 1.987 54.033 52.037 0.014 0.000 0.647 538 A CB -1.249 17.679 19.000 -0.121 0.000 0.828 538 A HN 0.520 nan 8.150 nan 0.000 0.455 539 L N -1.003 120.289 121.223 0.115 0.000 1.955 539 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 539 L C 3.099 180.139 176.870 0.284 0.000 1.072 539 L CA 1.731 56.687 54.840 0.192 0.000 0.755 539 L CB -0.512 41.637 42.059 0.150 0.000 0.888 539 L HN 0.448 nan 8.230 nan 0.000 0.432 540 A N -0.866 122.080 122.820 0.210 0.000 1.892 540 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 540 A C 2.178 179.974 177.584 0.353 0.000 1.188 540 A CA 2.252 54.437 52.037 0.246 0.000 0.631 540 A CB -0.576 18.492 19.000 0.113 0.000 0.822 540 A HN 0.440 nan 8.150 nan 0.000 0.447 541 M N -0.531 119.210 119.600 0.235 0.000 2.358 541 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 541 M C 2.063 178.452 176.300 0.149 0.000 1.064 541 M CA 0.866 56.277 55.300 0.185 0.000 1.093 541 M CB -1.425 31.240 32.600 0.109 0.000 1.401 541 M HN 0.248 nan 8.290 nan 0.000 0.440 542 V N -0.603 119.403 119.914 0.153 0.000 2.283 542 V HA -0.205 3.915 4.120 -0.000 0.000 0.243 542 V C 2.067 178.165 176.094 0.007 0.000 1.039 542 V CA 1.540 63.862 62.300 0.037 0.000 1.016 542 V CB -0.687 31.113 31.823 -0.037 0.000 0.650 542 V HN 0.204 nan 8.190 nan 0.000 0.449 543 F N 0.593 120.641 119.950 0.163 0.000 2.333 543 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 543 F C 2.360 178.292 175.800 0.220 0.000 1.083 543 F CA 1.813 59.934 58.000 0.202 0.000 1.395 543 F CB -0.274 38.862 39.000 0.227 0.000 1.056 543 F HN 0.072 nan 8.300 nan 0.000 0.529 544 K N 0.597 121.207 120.400 0.350 0.000 2.062 544 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 544 K C 2.307 178.816 176.600 -0.152 0.000 1.051 544 K CA 1.066 57.235 56.287 -0.196 0.000 0.941 544 K CB -0.244 32.113 32.500 -0.239 0.000 0.719 544 K HN 0.179 nan 8.250 nan 0.000 0.440 545 A N 1.819 124.616 122.820 -0.039 0.000 1.865 545 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 545 A C 2.154 179.715 177.584 -0.038 0.000 1.191 545 A CA 1.457 53.468 52.037 -0.044 0.000 0.623 545 A CB -0.760 18.226 19.000 -0.023 0.000 0.826 545 A HN 0.317 nan 8.150 nan 0.000 0.444 546 L N -0.780 120.431 121.223 -0.020 0.000 2.012 546 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 546 L C 3.119 179.999 176.870 0.017 0.000 1.073 546 L CA 1.378 56.217 54.840 -0.002 0.000 0.748 546 L CB -0.800 41.257 42.059 -0.003 0.000 0.891 546 L HN 0.457 nan 8.230 nan 0.000 0.431 547 A N -0.034 122.803 122.820 0.029 0.000 1.940 547 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 547 A C 1.560 179.120 177.584 -0.041 0.000 1.176 547 A CA 1.228 53.272 52.037 0.012 0.000 0.631 547 A CB -0.495 18.511 19.000 0.008 0.000 0.814 547 A HN 0.513 nan 8.150 nan 0.000 0.446 548 E N 0.412 120.561 120.200 -0.085 0.000 2.545 548 E HA 0.163 4.513 4.350 -0.000 0.000 0.271 548 E C 0.306 176.882 176.600 -0.041 0.000 1.508 548 E CA 0.429 56.783 56.400 -0.077 0.000 1.774 548 E CB -0.360 29.276 29.700 -0.107 0.000 1.460 548 E HN 0.670 nan 8.360 nan 0.000 0.449 549 S N -1.138 114.549 115.700 -0.021 0.000 2.474 549 S HA 0.064 4.534 4.470 -0.000 0.000 0.223 549 S C 0.103 174.705 174.600 0.003 0.000 0.880 549 S CA -0.561 57.634 58.200 -0.009 0.000 1.579 549 S CB 0.437 63.632 63.200 -0.007 0.000 1.264 549 S HN 0.045 nan 8.310 nan 0.000 0.616 550 E N 0.000 120.205 120.200 0.008 0.000 2.725 550 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 550 E CA 0.000 56.411 56.400 0.019 0.000 0.976 550 E CB 0.000 29.719 29.700 0.031 0.000 0.812 550 E HN 0.000 nan 8.360 nan 0.000 0.440