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 1xjm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLSDLISRW IDVEPSKNAQ IILRDRYFMK DLDGNYLETK WEDVARRVAR DATA SEQUENCE VVATAELLNP SYKKNEKLDR IKEWEDIFFR VLKARLFIPN SPTLFNAGLG DATA SEQUENCE VKHDLLWKPI DQMTLEDYEE IYRSRNHLHM LSACFVVPVG DSIEEIFEAV DATA SEQUENCE KEYALITKVG GGVGSNFSEL RPKGSFVAGT HGKASGPVSF MHVFNSAISV DATA SEQUENCE VKQXXXXXXA LMGILNINHP DIEEFIDAKK EXXXXAVLNF FNLSVGFPMD DATA SEQUENCE KKEILKLYEE DGELELSHPR STIRKKVKIR ELFRKIATNA WKSGDPGLAF DATA SEQUENCE LGEMNKYYPL YPHRKINSTN PCGEIGLSDY EACNLGSIDV AKFYNNGFVD DATA SEQUENCE LEALQELVQI AVRFLDNVID VNVFPIDKIT KAVKESRRLG LGIMGFADLL DATA SEQUENCE YKLEIPYNSQ EARDFAANLM AFIALHAHRT SYELGKEKGN FPLLEISRYR DATA SEQUENCE TEDNFVPFAM GMSNYDDEIR EVMKMTKEFR RNVALLTIAP TGSISNIADT DATA SEQUENCE SSGLEPNFLL AYTRFVTKED GTKEPLLYVN QVLREKLNPE ILKRIEKELI DATA SEQUENCE EKGSLKDIPD VPEKIKKVFV VALDIDPMDH LLMQDAFQRY VDNNISKTIN DATA SEQUENCE MPQSATVDDV LNVYLEALRT NVRGITVXRD GSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.051 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.614 32.600 0.024 0.000 1.302 2 K N 3.128 123.553 120.400 0.043 0.000 2.355 2 K HA 0.208 4.528 4.320 -0.000 0.000 0.270 2 K C 0.892 177.530 176.600 0.063 0.000 1.003 2 K CA -0.329 55.990 56.287 0.053 0.000 0.957 2 K CB 0.826 33.349 32.500 0.039 0.000 0.939 2 K HN 0.715 nan 8.250 nan 0.000 0.482 3 L N 2.119 123.395 121.223 0.088 0.000 2.043 3 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 3 L C 2.415 179.331 176.870 0.077 0.000 1.075 3 L CA 2.256 57.157 54.840 0.101 0.000 0.752 3 L CB -0.555 41.586 42.059 0.138 0.000 0.891 3 L HN 0.895 nan 8.230 nan 0.000 0.432 4 S N -0.928 114.811 115.700 0.066 0.000 2.387 4 S HA -0.248 4.222 4.470 -0.000 0.000 0.230 4 S C 1.533 176.163 174.600 0.049 0.000 1.035 4 S CA 1.669 59.903 58.200 0.057 0.000 1.014 4 S CB -0.468 62.756 63.200 0.041 0.000 0.836 4 S HN 0.465 nan 8.310 nan 0.000 0.466 5 D N 1.245 121.668 120.400 0.039 0.000 2.123 5 D HA 0.023 4.663 4.640 -0.000 0.000 0.200 5 D C 1.934 178.252 176.300 0.030 0.000 0.976 5 D CA 0.964 54.980 54.000 0.027 0.000 0.831 5 D CB -0.550 40.260 40.800 0.017 0.000 0.974 5 D HN 0.397 nan 8.370 nan 0.000 0.469 6 L N 1.006 122.248 121.223 0.032 0.000 2.083 6 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 6 L C 2.127 179.071 176.870 0.124 0.000 1.083 6 L CA 1.171 56.037 54.840 0.043 0.000 0.752 6 L CB -0.465 41.554 42.059 -0.065 0.000 0.899 6 L HN -0.028 nan 8.230 nan 0.000 0.433 7 I N -0.926 119.706 120.570 0.103 0.000 2.151 7 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 7 I C 2.374 178.570 176.117 0.131 0.000 1.080 7 I CA 1.635 63.017 61.300 0.136 0.000 1.339 7 I CB -0.550 37.518 38.000 0.114 0.000 1.039 7 I HN 0.229 nan 8.210 nan 0.000 0.409 8 S N 0.567 116.315 115.700 0.080 0.000 2.402 8 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 8 S C 1.903 176.505 174.600 0.003 0.000 1.030 8 S CA 1.209 59.437 58.200 0.047 0.000 1.003 8 S CB -0.389 62.826 63.200 0.026 0.000 0.813 8 S HN 0.433 nan 8.310 nan 0.000 0.477 9 R N -0.869 119.612 120.500 -0.032 0.000 2.189 9 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 9 R C 1.392 177.449 176.300 -0.405 0.000 1.074 9 R CA 1.065 57.031 56.100 -0.224 0.000 0.991 9 R CB -0.173 29.960 30.300 -0.277 0.000 0.883 9 R HN 0.510 nan 8.270 nan 0.000 0.457 10 W N -0.368 120.932 121.300 -0.000 0.000 2.904 10 W HA 0.296 4.956 4.660 -0.000 0.000 0.265 10 W C 1.760 178.295 176.519 0.027 0.000 1.138 10 W CA -0.689 56.661 57.345 0.009 0.000 1.455 10 W CB 0.087 29.545 29.460 -0.004 0.000 0.924 10 W HN -0.125 nan 8.180 nan 0.000 0.619 11 I N 0.845 121.556 120.570 0.235 0.000 2.335 11 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 11 I C 0.965 177.170 176.117 0.147 0.000 1.129 11 I CA 1.667 63.069 61.300 0.171 0.000 1.402 11 I CB 0.117 38.191 38.000 0.123 0.000 1.069 11 I HN -0.156 nan 8.210 nan 0.000 0.424 12 D N 0.087 120.554 120.400 0.112 0.000 2.363 12 D HA 0.153 4.793 4.640 -0.000 0.000 0.214 12 D C 0.064 176.418 176.300 0.090 0.000 1.093 12 D CA 0.194 54.250 54.000 0.093 0.000 0.837 12 D CB 0.399 41.233 40.800 0.058 0.000 0.948 12 D HN 0.066 nan 8.370 nan 0.000 0.507 13 V N 1.620 121.608 119.914 0.122 0.000 2.455 13 V HA 0.099 4.219 4.120 -0.000 0.000 0.273 13 V C 0.759 176.955 176.094 0.170 0.000 1.045 13 V CA -0.384 61.995 62.300 0.133 0.000 0.976 13 V CB 1.375 33.300 31.823 0.170 0.000 0.993 13 V HN -0.070 nan 8.190 nan 0.000 0.475 14 E N 5.563 125.836 120.200 0.123 0.000 2.313 14 E HA 0.350 4.700 4.350 -0.000 0.000 0.272 14 E C -2.305 174.342 176.600 0.078 0.000 1.038 14 E CA -1.754 54.715 56.400 0.115 0.000 0.863 14 E CB 1.167 30.925 29.700 0.097 0.000 1.060 14 E HN 0.513 nan 8.360 nan 0.000 0.402 15 P HA -0.058 nan 4.420 nan 0.000 0.269 15 P C -0.540 176.757 177.300 -0.005 0.000 1.209 15 P CA -0.104 62.970 63.100 -0.042 0.000 0.776 15 P CB 0.535 32.159 31.700 -0.126 0.000 0.876 16 S N 1.688 117.376 115.700 -0.020 0.000 2.580 16 S HA 0.053 4.522 4.470 -0.000 0.000 0.266 16 S C 1.167 175.757 174.600 -0.017 0.000 1.354 16 S CA -0.139 58.057 58.200 -0.007 0.000 1.008 16 S CB 0.380 63.569 63.200 -0.018 0.000 0.898 16 S HN 0.299 nan 8.310 nan 0.000 0.555 17 K N 1.068 121.466 120.400 -0.004 0.000 2.113 17 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 17 K C 2.163 178.750 176.600 -0.022 0.000 1.047 17 K CA 1.814 58.099 56.287 -0.004 0.000 0.928 17 K CB -0.459 32.044 32.500 0.005 0.000 0.716 17 K HN 0.721 nan 8.250 nan 0.000 0.446 18 N N 0.621 119.297 118.700 -0.041 0.000 2.025 18 N HA -0.199 4.541 4.740 -0.000 0.000 0.194 18 N C 1.626 177.091 175.510 -0.075 0.000 1.044 18 N CA 1.854 54.869 53.050 -0.059 0.000 0.851 18 N CB -0.252 38.177 38.487 -0.097 0.000 1.036 18 N HN 0.196 nan 8.380 nan 0.000 0.422 19 A N 0.145 122.902 122.820 -0.105 0.000 1.948 19 A HA -0.234 4.085 4.320 -0.000 0.000 0.220 19 A C 2.107 179.612 177.584 -0.133 0.000 1.177 19 A CA 1.756 53.704 52.037 -0.149 0.000 0.636 19 A CB -0.804 18.074 19.000 -0.203 0.000 0.815 19 A HN 0.584 nan 8.150 nan 0.000 0.449 20 Q N -0.751 119.001 119.800 -0.079 0.000 2.167 20 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 20 Q C 1.964 177.912 176.000 -0.088 0.000 0.970 20 Q CA 1.327 57.099 55.803 -0.052 0.000 0.855 20 Q CB -0.305 28.448 28.738 0.024 0.000 0.911 20 Q HN 0.770 nan 8.270 nan 0.000 0.438 21 I N 0.286 120.822 120.570 -0.057 0.000 2.179 21 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 21 I C 2.116 178.208 176.117 -0.041 0.000 1.088 21 I CA 1.147 62.425 61.300 -0.036 0.000 1.357 21 I CB -0.177 37.819 38.000 -0.008 0.000 1.051 21 I HN 0.176 nan 8.210 nan 0.000 0.409 22 I N 0.363 120.911 120.570 -0.038 0.000 2.208 22 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 22 I C 2.413 178.564 176.117 0.056 0.000 1.097 22 I CA 1.524 62.839 61.300 0.025 0.000 1.363 22 I CB -0.202 37.804 38.000 0.010 0.000 1.051 22 I HN 0.193 nan 8.210 nan 0.000 0.413 23 L N -0.234 120.900 121.223 -0.148 0.000 2.027 23 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 23 L C 2.761 179.202 176.870 -0.714 0.000 1.074 23 L CA 1.366 55.960 54.840 -0.409 0.000 0.745 23 L CB -0.565 41.095 42.059 -0.663 0.000 0.898 23 L HN 0.117 nan 8.230 nan 0.000 0.433 24 R N -0.164 119.969 120.500 -0.612 0.000 2.083 24 R HA -0.226 4.114 4.340 -0.000 0.000 0.237 24 R C 2.013 178.369 176.300 0.093 0.000 1.137 24 R CA 1.975 57.941 56.100 -0.224 0.000 0.951 24 R CB -0.483 29.760 30.300 -0.094 0.000 0.851 24 R HN 0.343 nan 8.270 nan 0.000 0.434 25 D N 0.073 120.499 120.400 0.044 0.000 2.092 25 D HA -0.181 4.459 4.640 -0.000 0.000 0.193 25 D C 1.582 177.919 176.300 0.062 0.000 0.994 25 D CA 1.711 55.755 54.000 0.074 0.000 0.828 25 D CB 0.205 41.037 40.800 0.052 0.000 0.963 25 D HN 0.323 nan 8.370 nan 0.000 0.450 26 R N -2.551 117.990 120.500 0.067 0.000 2.568 26 R HA 0.146 4.486 4.340 -0.000 0.000 0.254 26 R C 1.588 177.889 176.300 0.002 0.000 0.925 26 R CA -0.066 56.002 56.100 -0.053 0.000 1.025 26 R CB -0.103 30.100 30.300 -0.161 0.000 1.428 26 R HN 0.208 nan 8.270 nan 0.000 0.573 27 Y N 0.452 120.897 120.300 0.242 0.000 2.464 27 Y HA 0.293 4.843 4.550 -0.000 0.000 0.288 27 Y C 0.522 176.701 175.900 0.465 0.000 1.133 27 Y CA -0.465 57.863 58.100 0.380 0.000 1.223 27 Y CB 0.291 38.919 38.460 0.281 0.000 1.187 27 Y HN -0.215 nan 8.280 nan 0.000 0.539 28 F N 1.888 122.109 119.950 0.451 0.000 2.578 28 F HA 0.027 4.554 4.527 -0.000 0.000 0.381 28 F C 0.640 176.622 175.800 0.304 0.000 1.069 28 F CA -0.823 57.404 58.000 0.379 0.000 1.231 28 F CB -0.398 38.844 39.000 0.403 0.000 1.086 28 F HN -0.006 nan 8.300 nan 0.000 0.564 29 M N 4.449 124.313 119.600 0.440 0.000 2.245 29 M HA 0.155 4.635 4.480 -0.000 0.000 0.344 29 M C -0.463 175.904 176.300 0.111 0.000 1.170 29 M CA 0.623 56.083 55.300 0.267 0.000 1.135 29 M CB 0.354 33.158 32.600 0.339 0.000 1.574 29 M HN 0.558 nan 8.290 nan 0.000 0.452 30 K N 1.985 122.388 120.400 0.004 0.000 2.395 30 K HA 0.392 4.712 4.320 -0.000 0.000 0.247 30 K C -1.322 175.231 176.600 -0.078 0.000 0.973 30 K CA -1.104 55.110 56.287 -0.122 0.000 0.828 30 K CB 1.383 33.740 32.500 -0.238 0.000 1.272 30 K HN 0.637 nan 8.250 nan 0.000 0.439 31 D N 0.404 120.751 120.400 -0.089 0.000 2.423 31 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 31 D C 1.058 177.355 176.300 -0.005 0.000 1.174 31 D CA -0.622 53.370 54.000 -0.014 0.000 1.008 31 D CB 0.392 41.198 40.800 0.011 0.000 1.101 31 D HN 0.285 nan 8.370 nan 0.000 0.516 32 L N -0.242 121.003 121.223 0.036 0.000 2.103 32 L HA -0.199 4.140 4.340 -0.000 0.000 0.215 32 L C 1.384 178.252 176.870 -0.004 0.000 1.080 32 L CA 1.982 56.834 54.840 0.020 0.000 0.764 32 L CB -1.071 41.010 42.059 0.036 0.000 0.890 32 L HN 0.385 nan 8.230 nan 0.000 0.435 33 D N -0.451 119.945 120.400 -0.007 0.000 2.277 33 D HA 0.123 4.763 4.640 -0.000 0.000 0.208 33 D C 1.858 178.132 176.300 -0.043 0.000 0.962 33 D CA 1.258 55.248 54.000 -0.017 0.000 0.865 33 D CB -0.043 40.752 40.800 -0.008 0.000 0.939 33 D HN 0.414 nan 8.370 nan 0.000 0.510 34 G N -0.169 108.586 108.800 -0.075 0.000 2.159 34 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.227 34 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.227 34 G C -0.024 174.759 174.900 -0.195 0.000 0.986 34 G CA -0.469 44.551 45.100 -0.133 0.000 0.651 34 G HN 0.177 nan 8.290 nan 0.000 0.523 35 N N 0.122 118.742 118.700 -0.134 0.000 2.525 35 N HA 0.370 5.110 4.740 -0.000 0.000 0.271 35 N C -0.112 175.292 175.510 -0.177 0.000 1.194 35 N CA -0.039 52.947 53.050 -0.106 0.000 0.964 35 N CB 0.355 38.821 38.487 -0.035 0.000 1.126 35 N HN 0.198 nan 8.380 nan 0.000 0.452 36 Y N 1.067 121.350 120.300 -0.028 0.000 2.465 36 Y HA 0.028 4.578 4.550 -0.000 0.000 0.331 36 Y C 1.614 177.417 175.900 -0.162 0.000 1.102 36 Y CA 0.046 58.115 58.100 -0.051 0.000 1.358 36 Y CB 0.477 38.930 38.460 -0.012 0.000 1.213 36 Y HN 0.416 nan 8.280 nan 0.000 0.525 37 L N 2.023 123.176 121.223 -0.116 0.000 2.446 37 L HA 0.124 4.463 4.340 -0.000 0.000 0.219 37 L C 0.112 176.603 176.870 -0.631 0.000 1.116 37 L CA 0.769 55.355 54.840 -0.423 0.000 0.844 37 L CB 0.064 41.799 42.059 -0.540 0.000 0.970 37 L HN 0.602 nan 8.230 nan 0.000 0.457 38 E N -1.049 118.952 120.200 -0.331 0.000 2.272 38 E HA 0.263 4.613 4.350 -0.000 0.000 0.269 38 E C -0.110 176.138 176.600 -0.586 0.000 0.877 38 E CA 0.019 56.138 56.400 -0.468 0.000 0.755 38 E CB 1.824 31.368 29.700 -0.259 0.000 1.192 38 E HN -0.041 nan 8.360 nan 0.000 0.422 39 T N -1.079 113.026 114.554 -0.748 0.000 3.087 39 T HA 0.298 4.648 4.350 -0.000 0.000 0.283 39 T C 0.113 174.387 174.700 -0.710 0.000 0.956 39 T CA -0.347 61.347 62.100 -0.677 0.000 0.894 39 T CB 0.326 69.012 68.868 -0.303 0.000 1.160 39 T HN 0.104 nan 8.240 nan 0.000 0.532 40 K N 0.347 120.243 120.400 -0.840 0.000 2.525 40 K HA 0.364 4.684 4.320 -0.000 0.000 0.254 40 K C 0.024 176.605 176.600 -0.032 0.000 0.934 40 K CA -0.950 55.202 56.287 -0.226 0.000 0.802 40 K CB 1.219 33.669 32.500 -0.083 0.000 1.295 40 K HN 0.140 nan 8.250 nan 0.000 0.433 41 W N 3.795 125.218 121.300 0.206 0.000 2.290 41 W HA -0.304 4.356 4.660 -0.000 0.000 0.311 41 W C 1.085 177.706 176.519 0.170 0.000 1.238 41 W CA 2.392 59.898 57.345 0.268 0.000 1.255 41 W CB 0.365 29.933 29.460 0.179 0.000 1.145 41 W HN 0.898 nan 8.180 nan 0.000 0.506 42 E N 0.225 120.442 120.200 0.028 0.000 2.147 42 E HA -0.292 4.058 4.350 -0.000 0.000 0.199 42 E C 1.628 178.270 176.600 0.070 0.000 1.005 42 E CA 2.134 58.532 56.400 -0.004 0.000 0.810 42 E CB -0.261 29.526 29.700 0.144 0.000 0.736 42 E HN 0.274 nan 8.360 nan 0.000 0.460 43 D N -0.390 120.030 120.400 0.033 0.000 2.123 43 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 43 D C 2.101 178.568 176.300 0.279 0.000 0.976 43 D CA 0.774 54.862 54.000 0.146 0.000 0.831 43 D CB -0.223 40.501 40.800 -0.125 0.000 0.974 43 D HN 0.120 nan 8.370 nan 0.000 0.469 44 V N 1.882 121.848 119.914 0.086 0.000 2.287 44 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 44 V C 2.632 178.637 176.094 -0.148 0.000 1.053 44 V CA 1.971 64.292 62.300 0.035 0.000 1.027 44 V CB -0.893 30.913 31.823 -0.027 0.000 0.646 44 V HN 0.182 nan 8.190 nan 0.000 0.447 45 A N 0.023 122.581 122.820 -0.437 0.000 1.902 45 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 45 A C 2.304 180.009 177.584 0.202 0.000 1.181 45 A CA 2.150 54.005 52.037 -0.303 0.000 0.623 45 A CB -0.548 18.098 19.000 -0.590 0.000 0.818 45 A HN 0.469 nan 8.150 nan 0.000 0.443 46 R N 0.045 120.776 120.500 0.384 0.000 2.097 46 R HA -0.186 4.154 4.340 -0.000 0.000 0.236 46 R C 2.423 178.813 176.300 0.150 0.000 1.135 46 R CA 2.263 58.579 56.100 0.360 0.000 0.934 46 R CB -0.494 29.980 30.300 0.291 0.000 0.846 46 R HN 0.594 nan 8.270 nan 0.000 0.431 47 R N -0.455 120.076 120.500 0.051 0.000 2.073 47 R HA -0.105 4.234 4.340 -0.000 0.000 0.234 47 R C 1.939 178.246 176.300 0.013 0.000 1.134 47 R CA 1.940 57.958 56.100 -0.138 0.000 0.952 47 R CB -0.401 29.790 30.300 -0.182 0.000 0.850 47 R HN 0.199 nan 8.270 nan 0.000 0.433 48 V N 1.291 121.262 119.914 0.096 0.000 2.307 48 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 48 V C 2.597 178.819 176.094 0.213 0.000 1.045 48 V CA 1.855 64.241 62.300 0.143 0.000 1.024 48 V CB -0.780 31.146 31.823 0.172 0.000 0.651 48 V HN 0.600 nan 8.190 nan 0.000 0.449 49 A N 0.183 123.193 122.820 0.317 0.000 1.892 49 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 49 A C 2.374 180.196 177.584 0.396 0.000 1.188 49 A CA 2.436 54.756 52.037 0.473 0.000 0.631 49 A CB -0.638 18.703 19.000 0.567 0.000 0.822 49 A HN 0.507 nan 8.150 nan 0.000 0.447 50 R N -0.685 119.975 120.500 0.267 0.000 2.083 50 R HA -0.111 4.228 4.340 -0.000 0.000 0.237 50 R C 1.965 178.402 176.300 0.229 0.000 1.137 50 R CA 1.906 58.151 56.100 0.242 0.000 0.951 50 R CB -0.510 29.849 30.300 0.099 0.000 0.851 50 R HN 0.279 nan 8.270 nan 0.000 0.434 51 V N -0.058 119.942 119.914 0.144 0.000 2.343 51 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 51 V C 2.191 178.352 176.094 0.111 0.000 1.051 51 V CA 1.648 64.027 62.300 0.132 0.000 1.036 51 V CB 0.031 31.934 31.823 0.135 0.000 0.654 51 V HN 0.241 nan 8.190 nan 0.000 0.451 52 V N -0.042 119.893 119.914 0.035 0.000 2.591 52 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 52 V C 2.604 178.756 176.094 0.097 0.000 1.053 52 V CA 1.481 63.697 62.300 -0.139 0.000 1.068 52 V CB -0.854 30.504 31.823 -0.775 0.000 0.689 52 V HN 0.535 nan 8.190 nan 0.000 0.462 53 A N 0.004 123.029 122.820 0.341 0.000 1.933 53 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 53 A C 2.371 180.033 177.584 0.129 0.000 1.175 53 A CA 2.359 54.607 52.037 0.352 0.000 0.628 53 A CB -1.018 18.158 19.000 0.293 0.000 0.814 53 A HN 0.468 nan 8.150 nan 0.000 0.444 54 T N 0.581 115.225 114.554 0.149 0.000 2.760 54 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 54 T C 2.026 176.773 174.700 0.077 0.000 1.047 54 T CA 1.600 63.785 62.100 0.140 0.000 1.139 54 T CB -0.481 68.542 68.868 0.259 0.000 0.855 54 T HN 0.666 nan 8.240 nan 0.000 0.471 55 A N 1.394 124.262 122.820 0.080 0.000 2.076 55 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 55 A C 2.164 179.733 177.584 -0.024 0.000 1.160 55 A CA 1.202 53.260 52.037 0.035 0.000 0.653 55 A CB -0.311 18.700 19.000 0.019 0.000 0.801 55 A HN 0.337 nan 8.150 nan 0.000 0.455 56 E N -0.369 119.828 120.200 -0.006 0.000 2.338 56 E HA -0.100 4.249 4.350 -0.000 0.000 0.197 56 E C 1.619 178.244 176.600 0.042 0.000 1.007 56 E CA 0.218 56.642 56.400 0.041 0.000 0.849 56 E CB -0.332 29.448 29.700 0.133 0.000 0.774 56 E HN 0.450 nan 8.360 nan 0.000 0.506 57 L N 0.386 121.573 121.223 -0.060 0.000 2.089 57 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 57 L C 2.128 178.922 176.870 -0.127 0.000 1.079 57 L CA 1.503 56.273 54.840 -0.118 0.000 0.758 57 L CB -0.907 41.003 42.059 -0.248 0.000 0.891 57 L HN 0.184 nan 8.230 nan 0.000 0.433 58 L N -1.164 119.973 121.223 -0.144 0.000 2.558 58 L HA 0.014 4.354 4.340 -0.000 0.000 0.225 58 L C 0.792 177.614 176.870 -0.080 0.000 1.128 58 L CA -0.219 54.546 54.840 -0.125 0.000 0.868 58 L CB -0.530 41.463 42.059 -0.109 0.000 1.006 58 L HN 0.238 nan 8.230 nan 0.000 0.454 59 N N 2.451 121.113 118.700 -0.063 0.000 2.427 59 N HA 0.014 4.754 4.740 -0.000 0.000 0.269 59 N C -1.488 173.942 175.510 -0.134 0.000 1.235 59 N CA -1.387 51.578 53.050 -0.142 0.000 0.934 59 N CB 1.144 39.481 38.487 -0.250 0.000 1.121 59 N HN -0.013 nan 8.380 nan 0.000 0.480 60 P HA 0.005 nan 4.420 nan 0.000 0.233 60 P C 0.571 177.808 177.300 -0.104 0.000 1.167 60 P CA 0.591 63.638 63.100 -0.088 0.000 0.770 60 P CB 0.415 32.072 31.700 -0.071 0.000 0.837 61 S N -1.638 113.937 115.700 -0.208 0.000 2.527 61 S HA 0.052 4.522 4.470 -0.000 0.000 0.222 61 S C 0.515 175.051 174.600 -0.106 0.000 0.985 61 S CA 0.060 58.139 58.200 -0.201 0.000 0.921 61 S CB -0.581 62.445 63.200 -0.290 0.000 0.772 61 S HN 0.260 nan 8.310 nan 0.000 0.529 62 Y N 1.889 122.179 120.300 -0.016 0.000 2.308 62 Y HA 0.312 4.862 4.550 -0.000 0.000 0.329 62 Y C 0.442 176.331 175.900 -0.019 0.000 1.111 62 Y CA -1.052 57.040 58.100 -0.013 0.000 1.179 62 Y CB 0.740 39.193 38.460 -0.012 0.000 1.201 62 Y HN -0.137 nan 8.280 nan 0.000 0.483 63 K N 2.370 122.869 120.400 0.165 0.000 2.174 63 K HA 0.157 4.477 4.320 -0.000 0.000 0.275 63 K C 0.614 177.241 176.600 0.045 0.000 1.015 63 K CA -0.546 55.785 56.287 0.074 0.000 0.933 63 K CB 1.169 33.698 32.500 0.048 0.000 1.025 63 K HN 0.600 nan 8.250 nan 0.000 0.463 64 K N 1.085 121.499 120.400 0.025 0.000 2.103 64 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 64 K C 1.054 177.648 176.600 -0.010 0.000 1.048 64 K CA 1.335 57.626 56.287 0.006 0.000 0.930 64 K CB -0.077 32.426 32.500 0.005 0.000 0.716 64 K HN 0.400 nan 8.250 nan 0.000 0.444 65 N N 0.699 119.394 118.700 -0.008 0.000 2.635 65 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 65 N C 0.882 176.370 175.510 -0.037 0.000 1.155 65 N CA 0.831 53.871 53.050 -0.017 0.000 0.927 65 N CB 0.205 38.686 38.487 -0.010 0.000 0.976 65 N HN 0.342 nan 8.380 nan 0.000 0.448 66 E N -1.339 118.826 120.200 -0.057 0.000 2.555 66 E HA 0.063 4.413 4.350 -0.000 0.000 0.209 66 E C 1.191 177.662 176.600 -0.214 0.000 0.847 66 E CA -0.042 56.291 56.400 -0.113 0.000 1.438 66 E CB 0.271 29.923 29.700 -0.079 0.000 1.420 66 E HN -0.041 nan 8.360 nan 0.000 0.755 67 K N 0.866 121.164 120.400 -0.170 0.000 2.020 67 K HA -0.170 4.149 4.320 -0.000 0.000 0.212 67 K C 2.127 178.588 176.600 -0.232 0.000 1.050 67 K CA 1.676 57.836 56.287 -0.211 0.000 0.929 67 K CB -0.175 32.280 32.500 -0.075 0.000 0.714 67 K HN 0.068 nan 8.250 nan 0.000 0.443 68 L N 1.230 122.367 121.223 -0.142 0.000 2.131 68 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 68 L C 1.368 178.147 176.870 -0.152 0.000 1.092 68 L CA 1.864 56.635 54.840 -0.116 0.000 0.759 68 L CB -0.463 41.589 42.059 -0.012 0.000 0.903 68 L HN 0.223 nan 8.230 nan 0.000 0.435 69 D N -0.511 119.788 120.400 -0.169 0.000 2.087 69 D HA -0.198 4.442 4.640 -0.000 0.000 0.192 69 D C 2.334 178.480 176.300 -0.258 0.000 0.993 69 D CA 1.248 55.138 54.000 -0.183 0.000 0.828 69 D CB -0.009 40.684 40.800 -0.177 0.000 0.968 69 D HN 0.147 nan 8.370 nan 0.000 0.448 70 R N 0.329 120.609 120.500 -0.368 0.000 2.070 70 R HA 0.007 4.347 4.340 -0.000 0.000 0.233 70 R C 2.519 178.669 176.300 -0.249 0.000 1.137 70 R CA 0.612 56.451 56.100 -0.435 0.000 0.945 70 R CB -0.719 29.017 30.300 -0.939 0.000 0.845 70 R HN 0.253 nan 8.270 nan 0.000 0.430 71 I N 0.584 121.000 120.570 -0.257 0.000 2.194 71 I HA -0.360 3.809 4.170 -0.000 0.000 0.246 71 I C 2.028 177.990 176.117 -0.257 0.000 1.093 71 I CA 1.535 62.676 61.300 -0.265 0.000 1.355 71 I CB -0.277 37.342 38.000 -0.635 0.000 1.046 71 I HN 0.162 nan 8.210 nan 0.000 0.413 72 K N 0.407 120.663 120.400 -0.241 0.000 2.148 72 K HA -0.154 4.165 4.320 -0.000 0.000 0.204 72 K C 1.979 178.496 176.600 -0.137 0.000 1.050 72 K CA 1.166 57.386 56.287 -0.111 0.000 0.942 72 K CB -0.027 32.441 32.500 -0.054 0.000 0.724 72 K HN 0.400 nan 8.250 nan 0.000 0.446 73 E N -0.329 119.721 120.200 -0.250 0.000 2.046 73 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 73 E C 1.788 178.114 176.600 -0.456 0.000 0.982 73 E CA 1.118 57.297 56.400 -0.369 0.000 0.800 73 E CB -0.095 29.299 29.700 -0.509 0.000 0.756 73 E HN 0.357 nan 8.360 nan 0.000 0.449 74 W N 1.665 122.779 121.300 -0.310 0.000 2.338 74 W HA -0.196 4.463 4.660 -0.000 0.000 0.304 74 W C 2.379 178.528 176.519 -0.616 0.000 1.212 74 W CA 1.091 58.057 57.345 -0.631 0.000 1.264 74 W CB -0.159 28.898 29.460 -0.671 0.000 1.142 74 W HN 0.190 nan 8.180 nan 0.000 0.512 75 E N 0.685 120.863 120.200 -0.036 0.000 2.085 75 E HA -0.310 4.039 4.350 -0.000 0.000 0.194 75 E C 1.668 178.391 176.600 0.205 0.000 0.994 75 E CA 1.954 58.445 56.400 0.153 0.000 0.801 75 E CB -0.259 29.551 29.700 0.184 0.000 0.743 75 E HN 0.210 nan 8.360 nan 0.000 0.453 76 D N -0.269 120.184 120.400 0.089 0.000 2.123 76 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 76 D C 1.919 178.358 176.300 0.231 0.000 0.976 76 D CA 0.803 54.897 54.000 0.157 0.000 0.831 76 D CB -0.104 40.722 40.800 0.043 0.000 0.974 76 D HN 0.262 nan 8.370 nan 0.000 0.469 77 I N -0.147 120.483 120.570 0.099 0.000 2.202 77 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 77 I C 1.574 177.919 176.117 0.379 0.000 1.091 77 I CA 1.058 62.453 61.300 0.159 0.000 1.368 77 I CB -0.606 37.414 38.000 0.035 0.000 1.058 77 I HN -0.036 nan 8.210 nan 0.000 0.410 78 F N 0.038 120.207 119.950 0.366 0.000 2.126 78 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 78 F C 2.462 178.468 175.800 0.343 0.000 1.096 78 F CA 1.338 59.584 58.000 0.410 0.000 1.255 78 F CB -1.824 37.491 39.000 0.524 0.000 0.997 78 F HN 0.189 nan 8.300 nan 0.000 0.479 79 F N 1.068 121.255 119.950 0.394 0.000 2.134 79 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 79 F C 2.481 178.402 175.800 0.201 0.000 1.097 79 F CA 1.609 59.756 58.000 0.245 0.000 1.264 79 F CB -0.439 38.667 39.000 0.176 0.000 1.001 79 F HN -0.205 nan 8.300 nan 0.000 0.479 80 R N 0.104 120.696 120.500 0.153 0.000 2.075 80 R HA -0.114 4.225 4.340 -0.000 0.000 0.232 80 R C 2.389 178.714 176.300 0.042 0.000 1.126 80 R CA 1.838 57.962 56.100 0.040 0.000 0.963 80 R CB -0.798 29.611 30.300 0.181 0.000 0.858 80 R HN 0.447 nan 8.270 nan 0.000 0.435 81 V N -0.865 119.139 119.914 0.150 0.000 2.358 81 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 81 V C 2.039 178.233 176.094 0.166 0.000 1.047 81 V CA 1.568 63.977 62.300 0.180 0.000 1.035 81 V CB -0.671 31.294 31.823 0.236 0.000 0.658 81 V HN 0.208 nan 8.190 nan 0.000 0.452 82 L N -0.043 121.264 121.223 0.140 0.000 2.056 82 L HA -0.138 4.201 4.340 -0.000 0.000 0.207 82 L C 2.864 179.852 176.870 0.197 0.000 1.078 82 L CA 2.486 57.409 54.840 0.138 0.000 0.749 82 L CB -0.781 41.304 42.059 0.043 0.000 0.901 82 L HN 0.434 nan 8.230 nan 0.000 0.433 83 K N 0.452 120.797 120.400 -0.091 0.000 2.057 83 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 83 K C 2.022 178.753 176.600 0.218 0.000 1.049 83 K CA 1.363 57.626 56.287 -0.040 0.000 0.931 83 K CB 0.012 32.210 32.500 -0.503 0.000 0.714 83 K HN 0.242 nan 8.250 nan 0.000 0.440 84 A N 0.996 123.896 122.820 0.133 0.000 2.121 84 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 84 A C 0.448 178.097 177.584 0.107 0.000 1.154 84 A CA 1.091 53.237 52.037 0.182 0.000 0.679 84 A CB -0.287 18.819 19.000 0.176 0.000 0.795 84 A HN 0.535 nan 8.150 nan 0.000 0.458 85 R N -2.644 117.927 120.500 0.119 0.000 3.407 85 R HA -0.159 4.180 4.340 -0.000 0.000 0.277 85 R C 0.252 176.498 176.300 -0.089 0.000 1.119 85 R CA 0.735 56.836 56.100 0.003 0.000 0.750 85 R CB -2.445 27.762 30.300 -0.155 0.000 1.258 85 R HN 0.528 nan 8.270 nan 0.000 0.432 86 L N -0.884 120.349 121.223 0.017 0.000 2.354 86 L HA 0.223 4.562 4.340 -0.000 0.000 0.212 86 L C 0.692 177.688 176.870 0.210 0.000 1.091 86 L CA 0.673 55.561 54.840 0.080 0.000 0.828 86 L CB 0.215 42.364 42.059 0.150 0.000 0.973 86 L HN 0.189 nan 8.230 nan 0.000 0.461 87 F N 0.609 120.558 119.950 -0.002 0.000 2.574 87 F HA 0.627 5.153 4.527 -0.000 0.000 0.313 87 F C -1.248 174.490 175.800 -0.103 0.000 1.130 87 F CA -1.017 56.946 58.000 -0.063 0.000 0.936 87 F CB 1.406 40.350 39.000 -0.093 0.000 1.219 87 F HN -0.295 nan 8.300 nan 0.000 0.445 88 I N 7.638 127.640 120.570 -0.947 0.000 2.499 88 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 88 I C -2.469 173.042 176.117 -1.010 0.000 1.048 88 I CA -2.049 58.794 61.300 -0.761 0.000 1.062 88 I CB 2.466 40.261 38.000 -0.341 0.000 1.238 88 I HN 0.369 nan 8.210 nan 0.000 0.426 89 P HA 0.083 nan 4.420 nan 0.000 0.274 89 P C -0.878 176.298 177.300 -0.206 0.000 1.256 89 P CA -0.412 62.436 63.100 -0.420 0.000 0.795 89 P CB 0.474 32.151 31.700 -0.037 0.000 1.038 90 N N -0.468 118.171 118.700 -0.103 0.000 2.345 90 N HA -0.056 4.684 4.740 -0.000 0.000 0.243 90 N C 0.905 176.367 175.510 -0.080 0.000 1.246 90 N CA -0.440 52.569 53.050 -0.069 0.000 0.863 90 N CB 0.031 38.509 38.487 -0.016 0.000 1.096 90 N HN 0.213 nan 8.380 nan 0.000 0.446 91 S N 2.424 118.052 115.700 -0.121 0.000 2.381 91 S HA -0.138 4.331 4.470 -0.000 0.000 0.230 91 S C -0.839 173.457 174.600 -0.506 0.000 1.052 91 S CA 1.586 59.583 58.200 -0.338 0.000 1.068 91 S CB -1.091 61.860 63.200 -0.414 0.000 0.918 91 S HN 0.678 nan 8.310 nan 0.000 0.448 92 P HA -0.060 nan 4.420 nan 0.000 0.218 92 P C 1.383 178.699 177.300 0.027 0.000 1.148 92 P CA 1.261 64.404 63.100 0.072 0.000 0.822 92 P CB -0.325 31.455 31.700 0.134 0.000 0.784 93 T N -0.520 114.031 114.554 -0.004 0.000 2.746 93 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 93 T C 1.658 176.386 174.700 0.046 0.000 1.039 93 T CA 1.129 63.243 62.100 0.024 0.000 1.142 93 T CB -0.775 68.152 68.868 0.098 0.000 0.866 93 T HN 0.115 nan 8.240 nan 0.000 0.444 94 L N -0.657 120.585 121.223 0.031 0.000 2.209 94 L HA 0.114 4.453 4.340 -0.000 0.000 0.207 94 L C 2.222 179.237 176.870 0.241 0.000 1.094 94 L CA 0.688 55.613 54.840 0.141 0.000 0.790 94 L CB -0.491 41.696 42.059 0.213 0.000 0.932 94 L HN 0.162 nan 8.230 nan 0.000 0.447 95 F N 0.714 120.760 119.950 0.159 0.000 2.146 95 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 95 F C 2.171 177.986 175.800 0.026 0.000 1.096 95 F CA 0.971 59.007 58.000 0.060 0.000 1.275 95 F CB -0.567 38.415 39.000 -0.030 0.000 1.008 95 F HN 0.157 nan 8.300 nan 0.000 0.480 96 N N -0.540 118.259 118.700 0.164 0.000 2.227 96 N HA 0.209 4.949 4.740 -0.000 0.000 0.196 96 N C 0.416 175.780 175.510 -0.244 0.000 1.142 96 N CA 0.356 53.393 53.050 -0.023 0.000 0.887 96 N CB 0.027 38.473 38.487 -0.067 0.000 1.022 96 N HN 0.005 nan 8.380 nan 0.000 0.500 97 A N 0.590 123.301 122.820 -0.182 0.000 2.548 97 A HA 0.425 4.745 4.320 -0.000 0.000 0.247 97 A C 1.391 178.954 177.584 -0.035 0.000 1.067 97 A CA 0.911 52.824 52.037 -0.207 0.000 0.757 97 A CB -0.554 18.427 19.000 -0.031 0.000 0.996 97 A HN 0.456 nan 8.150 nan 0.000 0.504 98 G N 1.524 110.413 108.800 0.148 0.000 2.136 98 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 98 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 98 G C 0.050 175.044 174.900 0.157 0.000 0.989 98 G CA 0.181 45.373 45.100 0.153 0.000 0.682 98 G HN 0.794 nan 8.290 nan 0.000 0.522 99 L N 0.016 121.365 121.223 0.209 0.000 2.360 99 L HA 0.475 4.815 4.340 -0.000 0.000 0.276 99 L C 1.704 178.651 176.870 0.129 0.000 1.121 99 L CA 1.296 56.221 54.840 0.142 0.000 0.845 99 L CB 0.973 43.070 42.059 0.064 0.000 1.143 99 L HN 0.965 nan 8.230 nan 0.000 0.452 100 G N 2.672 111.507 108.800 0.059 0.000 2.254 100 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.225 100 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.225 100 G C -0.003 174.878 174.900 -0.031 0.000 1.003 100 G CA -0.165 44.938 45.100 0.004 0.000 0.622 100 G HN 0.389 nan 8.290 nan 0.000 0.507 101 V N 2.912 122.814 119.914 -0.019 0.000 2.509 101 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 101 V C 0.640 176.672 176.094 -0.103 0.000 1.047 101 V CA -1.257 61.010 62.300 -0.055 0.000 0.952 101 V CB 1.640 33.435 31.823 -0.047 0.000 0.988 101 V HN 0.249 nan 8.190 nan 0.000 0.469 102 K N 3.502 123.830 120.400 -0.120 0.000 2.511 102 K HA -0.005 4.315 4.320 -0.000 0.000 0.280 102 K C 1.037 177.602 176.600 -0.058 0.000 1.008 102 K CA 0.192 56.386 56.287 -0.154 0.000 1.050 102 K CB 0.144 32.595 32.500 -0.082 0.000 0.889 102 K HN 0.610 nan 8.250 nan 0.000 0.484 103 H N 1.510 120.642 119.070 0.103 0.000 2.545 103 H HA -0.106 4.449 4.556 -0.000 0.000 0.282 103 H C 1.179 176.653 175.328 0.244 0.000 1.020 103 H CA 1.128 57.326 56.048 0.249 0.000 1.243 103 H CB 0.052 30.027 29.762 0.356 0.000 1.377 103 H HN 0.635 nan 8.280 nan 0.000 0.581 104 D N 0.582 121.103 120.400 0.203 0.000 2.277 104 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 104 D C 1.815 178.157 176.300 0.070 0.000 0.962 104 D CA 0.317 54.401 54.000 0.140 0.000 0.865 104 D CB -0.480 40.366 40.800 0.077 0.000 0.939 104 D HN 0.337 nan 8.370 nan 0.000 0.510 105 L N -0.452 120.772 121.223 0.002 0.000 2.416 105 L HA 0.178 4.518 4.340 -0.000 0.000 0.216 105 L C 2.459 179.228 176.870 -0.168 0.000 1.098 105 L CA 0.061 54.848 54.840 -0.089 0.000 0.840 105 L CB -0.057 41.932 42.059 -0.117 0.000 0.981 105 L HN -0.071 nan 8.230 nan 0.000 0.462 106 L N -1.292 119.765 121.223 -0.275 0.000 2.240 106 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 106 L C 1.729 178.181 176.870 -0.696 0.000 1.106 106 L CA 0.990 55.438 54.840 -0.654 0.000 0.793 106 L CB -0.167 41.148 42.059 -1.240 0.000 0.927 106 L HN 0.452 nan 8.230 nan 0.000 0.446 107 W N 0.597 121.906 121.300 0.015 0.000 2.714 107 W HA 0.171 4.830 4.660 -0.000 0.000 0.353 107 W C 0.716 177.217 176.519 -0.030 0.000 0.999 107 W CA -0.573 56.769 57.345 -0.005 0.000 1.629 107 W CB 0.126 29.585 29.460 -0.001 0.000 1.106 107 W HN 0.075 nan 8.180 nan 0.000 0.545 108 K N 1.826 122.295 120.400 0.116 0.000 2.258 108 K HA 0.268 4.588 4.320 -0.000 0.000 0.264 108 K C -2.409 174.189 176.600 -0.002 0.000 1.007 108 K CA -1.419 54.901 56.287 0.055 0.000 0.941 108 K CB 0.106 32.619 32.500 0.022 0.000 0.966 108 K HN -0.314 nan 8.250 nan 0.000 0.480 109 P HA -0.083 nan 4.420 nan 0.000 0.262 109 P C 0.469 177.738 177.300 -0.051 0.000 1.182 109 P CA 0.092 63.168 63.100 -0.039 0.000 0.761 109 P CB 0.408 32.093 31.700 -0.025 0.000 0.795 110 I N 3.076 123.605 120.570 -0.067 0.000 2.335 110 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 110 I C 1.566 177.678 176.117 -0.009 0.000 1.129 110 I CA 1.888 63.169 61.300 -0.032 0.000 1.402 110 I CB -0.050 37.931 38.000 -0.033 0.000 1.069 110 I HN 0.384 nan 8.210 nan 0.000 0.424 111 D N 0.117 120.504 120.400 -0.022 0.000 2.178 111 D HA -0.293 4.347 4.640 -0.000 0.000 0.201 111 D C 1.853 178.147 176.300 -0.011 0.000 0.980 111 D CA 1.382 55.374 54.000 -0.013 0.000 0.842 111 D CB -0.619 40.171 40.800 -0.017 0.000 0.948 111 D HN 0.503 nan 8.370 nan 0.000 0.472 112 Q N -1.068 118.719 119.800 -0.021 0.000 2.472 112 Q HA 0.069 4.409 4.340 -0.000 0.000 0.208 112 Q C 0.385 176.359 176.000 -0.044 0.000 0.958 112 Q CA 0.098 55.885 55.803 -0.027 0.000 0.932 112 Q CB 0.121 28.843 28.738 -0.028 0.000 1.007 112 Q HN 0.311 nan 8.270 nan 0.000 0.508 113 M N 1.429 120.998 119.600 -0.050 0.000 2.228 113 M HA 0.077 4.556 4.480 -0.000 0.000 0.351 113 M C 0.520 176.807 176.300 -0.022 0.000 1.233 113 M CA 0.505 55.736 55.300 -0.115 0.000 1.129 113 M CB 0.637 33.109 32.600 -0.214 0.000 1.604 113 M HN 0.048 nan 8.290 nan 0.000 0.457 114 T N -0.460 114.063 114.554 -0.053 0.000 2.948 114 T HA 0.439 4.789 4.350 -0.000 0.000 0.285 114 T C 0.819 175.584 174.700 0.108 0.000 1.019 114 T CA -0.978 61.138 62.100 0.026 0.000 1.013 114 T CB 1.433 70.300 68.868 -0.001 0.000 1.117 114 T HN 0.492 nan 8.240 nan 0.000 0.533 115 L N 0.512 121.809 121.223 0.123 0.000 2.191 115 L HA 0.086 4.426 4.340 -0.000 0.000 0.212 115 L C 2.391 179.331 176.870 0.117 0.000 1.103 115 L CA 1.978 56.911 54.840 0.155 0.000 0.769 115 L CB -1.054 41.050 42.059 0.076 0.000 0.908 115 L HN 0.926 nan 8.230 nan 0.000 0.438 116 E N -0.749 119.485 120.200 0.055 0.000 2.216 116 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 116 E C 1.672 178.277 176.600 0.009 0.000 0.988 116 E CA 1.001 57.420 56.400 0.032 0.000 0.834 116 E CB -0.172 29.538 29.700 0.016 0.000 0.772 116 E HN 0.464 nan 8.360 nan 0.000 0.479 117 D N -0.514 119.862 120.400 -0.040 0.000 2.097 117 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 117 D C 1.579 177.787 176.300 -0.153 0.000 0.984 117 D CA 1.132 55.049 54.000 -0.138 0.000 0.826 117 D CB -0.404 40.242 40.800 -0.257 0.000 0.973 117 D HN 0.347 nan 8.370 nan 0.000 0.460 118 Y N 1.133 121.437 120.300 0.007 0.000 2.224 118 Y HA -0.105 4.445 4.550 -0.000 0.000 0.289 118 Y C 2.457 178.382 175.900 0.041 0.000 1.146 118 Y CA 0.983 59.095 58.100 0.020 0.000 1.182 118 Y CB -0.079 38.388 38.460 0.013 0.000 0.983 118 Y HN -0.002 nan 8.280 nan 0.000 0.524 119 E N -0.003 120.298 120.200 0.169 0.000 2.150 119 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 119 E C 2.055 178.731 176.600 0.127 0.000 0.985 119 E CA 1.115 57.595 56.400 0.133 0.000 0.814 119 E CB -0.030 29.720 29.700 0.083 0.000 0.752 119 E HN 0.491 nan 8.360 nan 0.000 0.466 120 E N 0.557 120.796 120.200 0.066 0.000 2.072 120 E HA -0.184 4.165 4.350 -0.000 0.000 0.191 120 E C 1.994 178.606 176.600 0.020 0.000 0.985 120 E CA 0.742 57.160 56.400 0.030 0.000 0.801 120 E CB 0.017 29.712 29.700 -0.007 0.000 0.750 120 E HN 0.226 nan 8.360 nan 0.000 0.452 121 I N 0.385 120.970 120.570 0.025 0.000 2.127 121 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 121 I C 2.376 178.507 176.117 0.023 0.000 1.075 121 I CA 1.444 62.752 61.300 0.013 0.000 1.334 121 I CB -0.468 37.554 38.000 0.037 0.000 1.040 121 I HN 0.242 nan 8.210 nan 0.000 0.405 122 Y N 1.656 121.942 120.300 -0.024 0.000 2.081 122 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 122 Y C 2.807 178.665 175.900 -0.070 0.000 1.163 122 Y CA 1.700 59.773 58.100 -0.046 0.000 1.135 122 Y CB -0.296 38.162 38.460 -0.004 0.000 0.970 122 Y HN -0.043 nan 8.280 nan 0.000 0.498 123 R N -0.352 120.158 120.500 0.017 0.000 2.091 123 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 123 R C 2.040 178.268 176.300 -0.120 0.000 1.136 123 R CA 1.713 57.783 56.100 -0.050 0.000 0.959 123 R CB -0.513 29.801 30.300 0.022 0.000 0.856 123 R HN 0.492 nan 8.270 nan 0.000 0.437 124 S N -0.128 115.507 115.700 -0.109 0.000 2.597 124 S HA 0.162 4.631 4.470 -0.000 0.000 0.224 124 S C 0.257 174.779 174.600 -0.132 0.000 0.955 124 S CA -0.461 57.682 58.200 -0.095 0.000 0.933 124 S CB 0.131 63.293 63.200 -0.063 0.000 0.788 124 S HN 0.075 nan 8.310 nan 0.000 0.488 125 R N 3.574 123.928 120.500 -0.244 0.000 2.404 125 R HA 0.211 4.551 4.340 -0.000 0.000 0.315 125 R C 0.432 176.631 176.300 -0.168 0.000 1.032 125 R CA -0.151 55.739 56.100 -0.350 0.000 0.992 125 R CB 0.144 30.002 30.300 -0.736 0.000 0.959 125 R HN 0.614 nan 8.270 nan 0.000 0.428 126 N N 1.361 120.029 118.700 -0.053 0.000 2.366 126 N HA -0.060 4.680 4.740 -0.000 0.000 0.277 126 N C 0.580 176.088 175.510 -0.003 0.000 1.275 126 N CA -0.216 52.830 53.050 -0.006 0.000 0.964 126 N CB 0.227 38.698 38.487 -0.026 0.000 1.167 126 N HN 0.620 nan 8.380 nan 0.000 0.568 127 H N -2.282 116.800 119.070 0.020 0.000 2.563 127 H HA 0.219 4.775 4.556 -0.000 0.000 0.272 127 H C 0.948 176.301 175.328 0.042 0.000 1.005 127 H CA 0.636 56.701 56.048 0.028 0.000 1.171 127 H CB -0.286 29.489 29.762 0.022 0.000 1.351 127 H HN 0.370 nan 8.280 nan 0.000 0.602 128 L N 0.162 121.173 121.223 -0.353 0.000 2.607 128 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 128 L C 1.155 177.986 176.870 -0.065 0.000 1.123 128 L CA 0.010 54.725 54.840 -0.208 0.000 0.890 128 L CB -0.114 41.782 42.059 -0.273 0.000 1.103 128 L HN 0.492 nan 8.230 nan 0.000 0.468 129 H N 1.940 120.940 119.070 -0.116 0.000 3.319 129 H HA 0.097 4.653 4.556 -0.000 0.000 0.213 129 H C -0.212 175.052 175.328 -0.105 0.000 1.782 129 H CA 0.046 56.041 56.048 -0.089 0.000 1.339 129 H CB 0.188 29.890 29.762 -0.100 0.000 1.651 129 H HN 0.037 nan 8.280 nan 0.000 0.622 130 M N 3.097 122.641 119.600 -0.093 0.000 2.088 130 M HA 0.119 4.599 4.480 -0.000 0.000 0.346 130 M C -0.273 175.990 176.300 -0.061 0.000 1.111 130 M CA -0.415 54.834 55.300 -0.085 0.000 1.017 130 M CB 0.854 33.469 32.600 0.026 0.000 1.568 130 M HN 0.446 nan 8.290 nan 0.000 0.445 131 L N 2.090 123.254 121.223 -0.098 0.000 2.766 131 L HA 0.264 4.604 4.340 -0.000 0.000 0.242 131 L C 0.283 177.171 176.870 0.030 0.000 1.136 131 L CA -0.013 54.797 54.840 -0.049 0.000 0.933 131 L CB 0.362 42.366 42.059 -0.091 0.000 1.241 131 L HN 0.516 nan 8.230 nan 0.000 0.522 132 S N -0.088 115.667 115.700 0.092 0.000 2.509 132 S HA 0.576 5.046 4.470 -0.000 0.000 0.297 132 S C 0.864 175.600 174.600 0.226 0.000 1.118 132 S CA -0.182 58.095 58.200 0.128 0.000 1.074 132 S CB 2.424 65.695 63.200 0.117 0.000 1.038 132 S HN 0.190 nan 8.310 nan 0.000 0.498 133 A N 0.902 123.808 122.820 0.144 0.000 1.943 133 A HA 0.195 4.515 4.320 -0.000 0.000 0.213 133 A C 0.646 178.381 177.584 0.253 0.000 1.181 133 A CA 0.479 52.626 52.037 0.184 0.000 0.653 133 A CB -0.250 18.806 19.000 0.095 0.000 0.833 133 A HN 0.751 nan 8.150 nan 0.000 0.451 134 C N -0.536 118.815 119.300 0.086 0.000 2.351 134 C HA 0.805 5.265 4.460 -0.000 0.000 0.326 134 C C -0.867 174.039 174.990 -0.139 0.000 1.272 134 C CA -0.728 58.321 59.018 0.051 0.000 1.650 134 C CB -0.534 27.194 27.740 -0.020 0.000 2.257 134 C HN 0.387 nan 8.230 nan 0.000 0.505 135 F N 1.366 121.297 119.950 -0.032 0.000 2.601 135 F HA 0.662 5.189 4.527 -0.000 0.000 0.309 135 F C -0.280 175.461 175.800 -0.097 0.000 1.089 135 F CA -0.778 57.186 58.000 -0.060 0.000 0.940 135 F CB 1.646 40.607 39.000 -0.065 0.000 1.273 135 F HN 0.229 nan 8.300 nan 0.000 0.450 136 V N 3.140 123.096 119.914 0.071 0.000 2.588 136 V HA 0.748 4.867 4.120 -0.000 0.000 0.304 136 V C -1.072 174.969 176.094 -0.087 0.000 1.042 136 V CA -0.848 61.437 62.300 -0.025 0.000 0.877 136 V CB 2.203 33.989 31.823 -0.062 0.000 0.996 136 V HN 0.638 nan 8.190 nan 0.000 0.425 137 V N 3.701 123.537 119.914 -0.129 0.000 2.769 137 V HA 0.811 4.931 4.120 -0.000 0.000 0.312 137 V C -2.650 173.266 176.094 -0.298 0.000 1.061 137 V CA -2.453 59.676 62.300 -0.285 0.000 0.931 137 V CB 2.128 33.891 31.823 -0.100 0.000 1.010 137 V HN 0.684 nan 8.190 nan 0.000 0.433 138 P HA 0.322 nan 4.420 nan 0.000 0.274 138 P C -0.771 176.392 177.300 -0.227 0.000 1.237 138 P CA -0.177 62.748 63.100 -0.292 0.000 0.793 138 P CB 1.477 33.029 31.700 -0.246 0.000 0.977 139 V N 1.524 121.284 119.914 -0.256 0.000 2.380 139 V HA 0.384 4.504 4.120 -0.000 0.000 0.272 139 V C 0.870 176.879 176.094 -0.142 0.000 1.011 139 V CA -0.532 61.629 62.300 -0.232 0.000 0.826 139 V CB 0.923 32.438 31.823 -0.514 0.000 1.040 139 V HN 0.787 nan 8.190 nan 0.000 0.441 140 G N 1.454 110.212 108.800 -0.069 0.000 2.572 140 G HA2 0.299 4.259 3.960 -0.000 0.000 0.261 140 G HA3 0.299 4.259 3.960 -0.000 0.000 0.261 140 G C -0.079 174.801 174.900 -0.033 0.000 1.197 140 G CA -0.285 44.797 45.100 -0.031 0.000 0.870 140 G HN 0.637 nan 8.290 nan 0.000 0.548 141 D N -0.244 120.157 120.400 0.001 0.000 2.885 141 D HA 0.294 4.934 4.640 -0.000 0.000 0.234 141 D C 0.304 176.594 176.300 -0.018 0.000 1.129 141 D CA 0.103 54.106 54.000 0.005 0.000 0.991 141 D CB -0.501 40.346 40.800 0.079 0.000 1.137 141 D HN 0.430 nan 8.370 nan 0.000 0.459 142 S N -0.284 115.384 115.700 -0.054 0.000 2.550 142 S HA 0.282 4.752 4.470 -0.000 0.000 0.270 142 S C 1.030 175.600 174.600 -0.051 0.000 1.145 142 S CA -0.888 57.289 58.200 -0.038 0.000 0.852 142 S CB 0.942 64.140 63.200 -0.003 0.000 1.119 142 S HN -0.082 nan 8.310 nan 0.000 0.465 143 I N 1.391 121.960 120.570 -0.001 0.000 2.194 143 I HA -0.164 4.006 4.170 -0.000 0.000 0.246 143 I C 2.703 178.924 176.117 0.173 0.000 1.093 143 I CA 2.408 63.771 61.300 0.104 0.000 1.355 143 I CB -1.278 36.796 38.000 0.123 0.000 1.046 143 I HN 1.037 nan 8.210 nan 0.000 0.413 144 E N 1.548 121.801 120.200 0.089 0.000 2.077 144 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 144 E C 1.994 178.646 176.600 0.086 0.000 0.989 144 E CA 1.740 58.192 56.400 0.087 0.000 0.800 144 E CB -0.198 29.529 29.700 0.046 0.000 0.746 144 E HN 0.508 nan 8.360 nan 0.000 0.452 145 E N -0.176 120.052 120.200 0.047 0.000 2.152 145 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 145 E C 2.191 178.793 176.600 0.004 0.000 0.983 145 E CA 1.056 57.477 56.400 0.034 0.000 0.818 145 E CB -0.117 29.593 29.700 0.018 0.000 0.758 145 E HN 0.367 nan 8.360 nan 0.000 0.467 146 I N 0.063 120.595 120.570 -0.063 0.000 2.226 146 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 146 I C 1.693 177.610 176.117 -0.334 0.000 1.100 146 I CA 1.215 62.403 61.300 -0.188 0.000 1.374 146 I CB -0.069 37.664 38.000 -0.445 0.000 1.057 146 I HN 0.056 nan 8.210 nan 0.000 0.413 147 F N 0.301 120.198 119.950 -0.087 0.000 2.416 147 F HA -0.078 4.449 4.527 -0.000 0.000 0.296 147 F C 2.434 178.192 175.800 -0.069 0.000 1.099 147 F CA 0.728 58.661 58.000 -0.111 0.000 1.427 147 F CB -0.232 38.723 39.000 -0.075 0.000 1.079 147 F HN -0.013 nan 8.300 nan 0.000 0.536 148 E N 0.950 121.214 120.200 0.107 0.000 2.110 148 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 148 E C 2.166 178.820 176.600 0.089 0.000 0.988 148 E CA 1.389 57.845 56.400 0.094 0.000 0.804 148 E CB -0.302 29.458 29.700 0.101 0.000 0.745 148 E HN 0.238 nan 8.360 nan 0.000 0.458 149 A N -0.169 122.692 122.820 0.069 0.000 1.929 149 A HA -0.063 4.256 4.320 -0.000 0.000 0.216 149 A C 2.465 180.108 177.584 0.099 0.000 1.176 149 A CA 1.305 53.437 52.037 0.157 0.000 0.628 149 A CB -0.599 18.526 19.000 0.208 0.000 0.816 149 A HN 0.180 nan 8.150 nan 0.000 0.444 150 V N 0.562 120.273 119.914 -0.339 0.000 2.287 150 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 150 V C 2.545 178.576 176.094 -0.105 0.000 1.053 150 V CA 2.451 64.410 62.300 -0.570 0.000 1.027 150 V CB -0.703 30.635 31.823 -0.809 0.000 0.646 150 V HN 0.720 nan 8.190 nan 0.000 0.447 151 K N 0.144 120.533 120.400 -0.018 0.000 2.032 151 K HA -0.264 4.055 4.320 -0.000 0.000 0.209 151 K C 2.114 178.770 176.600 0.092 0.000 1.048 151 K CA 2.145 58.461 56.287 0.049 0.000 0.927 151 K CB -0.179 32.358 32.500 0.062 0.000 0.712 151 K HN 0.569 nan 8.250 nan 0.000 0.441 152 E N -0.715 119.571 120.200 0.144 0.000 2.110 152 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 152 E C 1.948 178.661 176.600 0.189 0.000 0.988 152 E CA 1.294 57.797 56.400 0.172 0.000 0.804 152 E CB -0.125 29.711 29.700 0.227 0.000 0.745 152 E HN 0.336 nan 8.360 nan 0.000 0.458 153 Y N 0.623 120.948 120.300 0.043 0.000 2.128 153 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 153 Y C 2.357 178.234 175.900 -0.039 0.000 1.154 153 Y CA 1.104 59.220 58.100 0.027 0.000 1.149 153 Y CB -0.896 37.648 38.460 0.141 0.000 0.976 153 Y HN 0.047 nan 8.280 nan 0.000 0.505 154 A N 0.047 122.946 122.820 0.132 0.000 1.865 154 A HA -0.190 4.129 4.320 -0.000 0.000 0.217 154 A C 2.366 179.949 177.584 -0.000 0.000 1.191 154 A CA 1.892 53.950 52.037 0.035 0.000 0.623 154 A CB -1.207 17.805 19.000 0.021 0.000 0.826 154 A HN 0.460 nan 8.150 nan 0.000 0.444 155 L N -0.853 120.378 121.223 0.013 0.000 2.042 155 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 155 L C 2.543 179.380 176.870 -0.056 0.000 1.076 155 L CA 1.426 56.267 54.840 0.001 0.000 0.749 155 L CB -0.533 41.546 42.059 0.033 0.000 0.893 155 L HN 0.387 nan 8.230 nan 0.000 0.432 156 I N -0.688 119.801 120.570 -0.135 0.000 2.252 156 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 156 I C 2.491 178.441 176.117 -0.279 0.000 1.102 156 I CA 1.428 62.523 61.300 -0.341 0.000 1.385 156 I CB -0.406 37.238 38.000 -0.593 0.000 1.064 156 I HN 0.235 nan 8.210 nan 0.000 0.414 157 T N 0.577 115.018 114.554 -0.189 0.000 2.788 157 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 157 T C 1.885 176.529 174.700 -0.093 0.000 1.044 157 T CA 1.497 63.517 62.100 -0.134 0.000 1.139 157 T CB -0.229 68.572 68.868 -0.111 0.000 0.867 157 T HN 0.327 nan 8.240 nan 0.000 0.454 158 K N 1.337 121.694 120.400 -0.071 0.000 2.020 158 K HA -0.135 4.184 4.320 -0.000 0.000 0.212 158 K C 2.165 178.737 176.600 -0.046 0.000 1.050 158 K CA 1.908 58.166 56.287 -0.048 0.000 0.929 158 K CB -0.371 32.118 32.500 -0.018 0.000 0.714 158 K HN 0.382 nan 8.250 nan 0.000 0.443 159 V N -2.592 117.298 119.914 -0.039 0.000 3.510 159 V HA 0.251 4.371 4.120 -0.000 0.000 0.270 159 V C 1.030 177.127 176.094 0.004 0.000 1.201 159 V CA 0.791 63.081 62.300 -0.017 0.000 1.166 159 V CB -0.388 31.442 31.823 0.013 0.000 0.825 159 V HN 0.566 nan 8.190 nan 0.000 0.484 160 G N -1.025 107.767 108.800 -0.014 0.000 2.148 160 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.203 160 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.203 160 G C 0.424 175.371 174.900 0.078 0.000 0.993 160 G CA -0.191 44.933 45.100 0.041 0.000 0.661 160 G HN 1.316 nan 8.290 nan 0.000 0.518 161 G N -0.459 108.335 108.800 -0.009 0.000 2.504 161 G HA2 0.709 4.669 3.960 -0.000 0.000 0.288 161 G HA3 0.709 4.669 3.960 -0.000 0.000 0.288 161 G C 0.398 175.287 174.900 -0.019 0.000 1.182 161 G CA 0.147 45.272 45.100 0.042 0.000 0.894 161 G HN 1.239 nan 8.290 nan 0.000 0.521 162 G N -1.239 107.630 108.800 0.115 0.000 2.416 162 G HA2 0.532 4.491 3.960 -0.000 0.000 0.324 162 G HA3 0.532 4.491 3.960 -0.000 0.000 0.324 162 G C -1.136 173.782 174.900 0.032 0.000 1.194 162 G CA -0.350 44.767 45.100 0.029 0.000 0.922 162 G HN 0.868 nan 8.290 nan 0.000 0.467 163 V N 1.973 121.793 119.914 -0.156 0.000 2.769 163 V HA 0.966 5.086 4.120 -0.000 0.000 0.312 163 V C 0.331 176.293 176.094 -0.220 0.000 1.061 163 V CA -0.025 62.129 62.300 -0.245 0.000 0.931 163 V CB 1.964 33.409 31.823 -0.630 0.000 1.010 163 V HN 1.036 nan 8.190 nan 0.000 0.433 164 G N 3.146 111.889 108.800 -0.095 0.000 2.533 164 G HA2 0.718 4.678 3.960 -0.000 0.000 0.304 164 G HA3 0.718 4.678 3.960 -0.000 0.000 0.304 164 G C -1.213 173.722 174.900 0.058 0.000 1.263 164 G CA -0.545 44.583 45.100 0.046 0.000 0.964 164 G HN 0.882 nan 8.290 nan 0.000 0.479 165 S N -0.051 115.738 115.700 0.147 0.000 2.549 165 S HA 0.439 4.909 4.470 -0.000 0.000 0.280 165 S C -0.677 173.866 174.600 -0.095 0.000 1.109 165 S CA -0.874 57.248 58.200 -0.130 0.000 0.905 165 S CB 1.912 64.758 63.200 -0.589 0.000 1.081 165 S HN 0.613 nan 8.310 nan 0.000 0.477 166 N N 0.923 119.523 118.700 -0.167 0.000 2.444 166 N HA 0.280 5.019 4.740 -0.000 0.000 0.271 166 N C -0.866 174.507 175.510 -0.228 0.000 1.069 166 N CA -0.166 52.819 53.050 -0.108 0.000 0.965 166 N CB 0.230 38.664 38.487 -0.089 0.000 1.092 166 N HN 0.524 nan 8.380 nan 0.000 0.476 167 F N 1.020 120.847 119.950 -0.205 0.000 2.641 167 F HA 0.201 4.728 4.527 -0.000 0.000 0.302 167 F C 1.953 177.657 175.800 -0.161 0.000 1.098 167 F CA -0.178 57.698 58.000 -0.207 0.000 1.318 167 F CB 0.327 39.162 39.000 -0.275 0.000 1.035 167 F HN 0.438 nan 8.300 nan 0.000 0.551 168 S N -0.311 115.402 115.700 0.021 0.000 2.481 168 S HA -0.102 4.367 4.470 -0.000 0.000 0.231 168 S C 1.918 176.687 174.600 0.282 0.000 0.996 168 S CA 0.648 58.928 58.200 0.133 0.000 0.942 168 S CB -0.107 63.150 63.200 0.095 0.000 0.768 168 S HN 0.300 nan 8.310 nan 0.000 0.520 169 E N 1.259 121.553 120.200 0.156 0.000 2.204 169 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 169 E C 0.442 177.226 176.600 0.308 0.000 0.989 169 E CA 0.286 56.798 56.400 0.187 0.000 0.824 169 E CB -0.268 29.468 29.700 0.059 0.000 0.756 169 E HN 0.520 nan 8.360 nan 0.000 0.477 170 L N 3.392 124.742 121.223 0.211 0.000 2.477 170 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 170 L C 1.018 177.917 176.870 0.049 0.000 1.157 170 L CA -0.199 54.724 54.840 0.138 0.000 0.889 170 L CB 0.077 42.209 42.059 0.123 0.000 1.158 170 L HN 0.001 nan 8.230 nan 0.000 0.473 171 R N 4.311 124.724 120.500 -0.145 0.000 2.623 171 R HA 0.271 4.610 4.340 -0.000 0.000 0.271 171 R C -2.493 173.658 176.300 -0.247 0.000 1.043 171 R CA -1.526 54.231 56.100 -0.572 0.000 1.083 171 R CB -0.282 29.898 30.300 -0.199 0.000 0.974 171 R HN 0.280 nan 8.270 nan 0.000 0.436 172 P HA -0.105 nan 4.420 nan 0.000 0.269 172 P C -0.657 176.657 177.300 0.023 0.000 1.211 172 P CA -0.010 63.083 63.100 -0.011 0.000 0.781 172 P CB 0.445 32.095 31.700 -0.083 0.000 0.877 173 K N 0.917 121.349 120.400 0.053 0.000 2.524 173 K HA 0.095 4.414 4.320 -0.000 0.000 0.279 173 K C 1.207 177.822 176.600 0.026 0.000 0.993 173 K CA 1.165 57.469 56.287 0.030 0.000 1.030 173 K CB -0.717 31.791 32.500 0.013 0.000 0.891 173 K HN 0.810 nan 8.250 nan 0.000 0.488 174 G N 2.024 110.840 108.800 0.027 0.000 2.179 174 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 174 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 174 G C 0.059 174.995 174.900 0.061 0.000 0.977 174 G CA 0.539 45.662 45.100 0.038 0.000 0.641 174 G HN 0.870 nan 8.290 nan 0.000 0.533 175 S N -0.427 115.308 115.700 0.059 0.000 2.632 175 S HA 0.660 5.130 4.470 -0.000 0.000 0.267 175 S C 0.145 174.827 174.600 0.138 0.000 1.276 175 S CA -0.408 57.848 58.200 0.093 0.000 0.998 175 S CB 1.386 64.618 63.200 0.054 0.000 0.953 175 S HN 1.300 nan 8.310 nan 0.000 0.547 176 F N 2.396 122.370 119.950 0.041 0.000 2.506 176 F HA 0.433 4.960 4.527 -0.000 0.000 0.371 176 F C -0.463 175.372 175.800 0.058 0.000 1.078 176 F CA -0.509 57.523 58.000 0.053 0.000 1.195 176 F CB 0.203 39.236 39.000 0.056 0.000 1.099 176 F HN 0.384 nan 8.300 nan 0.000 0.548 177 V N 8.711 128.251 119.914 -0.623 0.000 2.370 177 V HA 0.368 4.488 4.120 -0.000 0.000 0.279 177 V C 0.956 176.425 176.094 -1.042 0.000 1.029 177 V CA 0.098 62.045 62.300 -0.587 0.000 0.870 177 V CB 0.488 32.158 31.823 -0.255 0.000 0.984 177 V HN 1.049 nan 8.190 nan 0.000 0.451 178 A N 4.539 126.884 122.820 -0.791 0.000 1.877 178 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 178 A C 2.233 179.591 177.584 -0.376 0.000 1.186 178 A CA 1.859 53.587 52.037 -0.515 0.000 0.620 178 A CB -0.945 18.013 19.000 -0.070 0.000 0.822 178 A HN 1.013 nan 8.150 nan 0.000 0.443 179 G N -1.981 106.653 108.800 -0.277 0.000 2.479 179 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.220 179 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.220 179 G C 1.287 176.032 174.900 -0.258 0.000 1.115 179 G CA 1.657 46.625 45.100 -0.219 0.000 0.757 179 G HN 0.457 nan 8.290 nan 0.000 0.560 180 T N -0.458 113.929 114.554 -0.279 0.000 3.003 180 T HA 0.164 4.513 4.350 -0.000 0.000 0.261 180 T C 0.718 175.362 174.700 -0.093 0.000 1.003 180 T CA -0.280 61.720 62.100 -0.167 0.000 0.917 180 T CB 0.064 68.870 68.868 -0.104 0.000 1.084 180 T HN 0.428 nan 8.240 nan 0.000 0.522 181 H N 0.548 119.577 119.070 -0.067 0.000 2.635 181 H HA -0.148 4.408 4.556 -0.000 0.000 0.314 181 H C 0.912 176.258 175.328 0.029 0.000 1.071 181 H CA 1.036 57.107 56.048 0.039 0.000 1.144 181 H CB -1.449 28.371 29.762 0.097 0.000 1.405 181 H HN 0.559 nan 8.280 nan 0.000 0.398 182 G N -0.681 108.135 108.800 0.027 0.000 3.119 182 G HA2 0.615 4.574 3.960 -0.000 0.000 0.206 182 G HA3 0.615 4.574 3.960 -0.000 0.000 0.206 182 G C -0.573 174.330 174.900 0.005 0.000 1.313 182 G CA -0.819 44.297 45.100 0.028 0.000 1.010 182 G HN 0.094 nan 8.290 nan 0.000 0.578 183 K N -0.368 120.040 120.400 0.012 0.000 2.427 183 K HA 0.611 4.931 4.320 -0.000 0.000 0.252 183 K C -0.350 176.263 176.600 0.021 0.000 0.931 183 K CA -0.567 55.736 56.287 0.026 0.000 0.793 183 K CB 2.397 34.923 32.500 0.044 0.000 1.211 183 K HN 0.639 nan 8.250 nan 0.000 0.426 184 A N 1.504 124.345 122.820 0.035 0.000 2.477 184 A HA 0.102 4.421 4.320 -0.000 0.000 0.246 184 A C 0.824 178.439 177.584 0.052 0.000 1.078 184 A CA -0.037 52.046 52.037 0.078 0.000 0.770 184 A CB 0.249 19.307 19.000 0.098 0.000 1.011 184 A HN 0.828 nan 8.150 nan 0.000 0.494 185 S N 1.487 117.206 115.700 0.032 0.000 2.399 185 S HA 0.268 4.738 4.470 -0.000 0.000 0.231 185 S C 1.237 175.801 174.600 -0.059 0.000 1.022 185 S CA 1.049 59.167 58.200 -0.136 0.000 0.983 185 S CB -0.767 62.119 63.200 -0.523 0.000 0.803 185 S HN 2.342 nan 8.310 nan 0.000 0.480 186 G N 1.240 110.115 108.800 0.125 0.000 2.746 186 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.685 186 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.685 186 G C -2.280 172.746 174.900 0.211 0.000 1.350 186 G CA -0.410 44.779 45.100 0.148 0.000 0.837 186 G HN 0.102 nan 8.290 nan 0.000 0.564 187 P HA -0.067 nan 4.420 nan 0.000 0.215 187 P C 2.076 179.357 177.300 -0.033 0.000 1.153 187 P CA 1.907 65.058 63.100 0.085 0.000 0.853 187 P CB -0.024 31.605 31.700 -0.119 0.000 0.788 188 V N 0.684 120.563 119.914 -0.059 0.000 2.358 188 V HA -0.193 3.926 4.120 -0.000 0.000 0.246 188 V C 2.979 179.074 176.094 0.001 0.000 1.047 188 V CA 2.418 64.689 62.300 -0.048 0.000 1.035 188 V CB -1.620 30.204 31.823 0.003 0.000 0.658 188 V HN 0.269 nan 8.190 nan 0.000 0.452 189 S N -0.352 115.260 115.700 -0.147 0.000 2.399 189 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 189 S C 1.821 176.260 174.600 -0.269 0.000 1.022 189 S CA 1.460 59.447 58.200 -0.355 0.000 0.983 189 S CB -0.425 62.520 63.200 -0.424 0.000 0.803 189 S HN 0.496 nan 8.310 nan 0.000 0.480 190 F N 1.447 121.405 119.950 0.014 0.000 2.367 190 F HA 0.280 4.807 4.527 -0.000 0.000 0.298 190 F C 2.302 178.232 175.800 0.218 0.000 1.094 190 F CA 0.741 58.805 58.000 0.105 0.000 1.409 190 F CB -0.484 38.600 39.000 0.141 0.000 1.064 190 F HN 0.198 nan 8.300 nan 0.000 0.528 191 M N -0.956 118.734 119.600 0.149 0.000 2.279 191 M HA -0.217 4.263 4.480 -0.000 0.000 0.264 191 M C 1.888 178.337 176.300 0.248 0.000 1.062 191 M CA 1.436 56.689 55.300 -0.077 0.000 1.099 191 M CB -0.703 31.443 32.600 -0.756 0.000 1.394 191 M HN 0.137 nan 8.290 nan 0.000 0.426 192 H N -0.481 118.633 119.070 0.074 0.000 2.421 192 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 192 H C 2.134 177.553 175.328 0.153 0.000 1.087 192 H CA 1.415 57.529 56.048 0.111 0.000 1.330 192 H CB -0.649 29.130 29.762 0.029 0.000 1.388 192 H HN 0.147 nan 8.280 nan 0.000 0.526 193 V N 0.110 120.195 119.914 0.285 0.000 2.270 193 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 193 V C 1.952 178.096 176.094 0.084 0.000 1.043 193 V CA 1.686 64.074 62.300 0.147 0.000 1.014 193 V CB -0.757 31.111 31.823 0.075 0.000 0.645 193 V HN 0.285 nan 8.190 nan 0.000 0.447 194 F N 0.863 120.860 119.950 0.078 0.000 2.126 194 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 194 F C 2.374 178.238 175.800 0.105 0.000 1.096 194 F CA 2.215 60.242 58.000 0.045 0.000 1.255 194 F CB -0.716 38.335 39.000 0.085 0.000 0.997 194 F HN 0.204 nan 8.300 nan 0.000 0.479 195 N N -0.031 118.924 118.700 0.425 0.000 2.058 195 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 195 N C 1.857 177.438 175.510 0.119 0.000 1.037 195 N CA 1.753 54.962 53.050 0.265 0.000 0.848 195 N CB -0.200 38.481 38.487 0.324 0.000 1.021 195 N HN 0.028 nan 8.380 nan 0.000 0.422 196 S N 0.038 115.810 115.700 0.120 0.000 2.370 196 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 196 S C 2.037 176.637 174.600 -0.001 0.000 1.033 196 S CA 1.144 59.382 58.200 0.063 0.000 1.011 196 S CB -0.700 62.550 63.200 0.083 0.000 0.852 196 S HN 0.590 nan 8.310 nan 0.000 0.457 197 A N 2.069 124.884 122.820 -0.008 0.000 1.851 197 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 197 A C 2.039 179.564 177.584 -0.100 0.000 1.195 197 A CA 1.484 53.495 52.037 -0.043 0.000 0.622 197 A CB -0.692 18.274 19.000 -0.056 0.000 0.831 197 A HN 0.414 nan 8.150 nan 0.000 0.444 198 I N 0.739 121.219 120.570 -0.150 0.000 2.315 198 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 198 I C 2.700 178.457 176.117 -0.601 0.000 1.117 198 I CA 1.933 63.042 61.300 -0.318 0.000 1.404 198 I CB -1.450 36.356 38.000 -0.324 0.000 1.071 198 I HN 0.524 nan 8.210 nan 0.000 0.419 199 S N 0.282 115.604 115.700 -0.630 0.000 2.547 199 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 199 S C 1.708 176.184 174.600 -0.206 0.000 0.980 199 S CA 0.724 58.577 58.200 -0.578 0.000 0.941 199 S CB -0.283 62.905 63.200 -0.020 0.000 0.763 199 S HN 0.235 nan 8.310 nan 0.000 0.532 200 V N 0.492 120.304 119.914 -0.169 0.000 3.431 200 V HA 0.203 4.323 4.120 -0.000 0.000 0.253 200 V C 1.871 177.907 176.094 -0.095 0.000 1.184 200 V CA 0.534 62.782 62.300 -0.087 0.000 1.104 200 V CB 0.580 32.374 31.823 -0.048 0.000 0.799 200 V HN 0.444 nan 8.190 nan 0.000 0.462 201 V N 0.546 120.378 119.914 -0.137 0.000 3.630 201 V HA 0.131 4.250 4.120 -0.000 0.000 0.273 201 V C 0.712 176.732 176.094 -0.123 0.000 1.248 201 V CA 0.949 63.182 62.300 -0.112 0.000 1.170 201 V CB -0.859 30.903 31.823 -0.101 0.000 0.899 201 V HN 0.505 nan 8.190 nan 0.000 0.457 202 K N 0.112 120.429 120.400 -0.139 0.000 3.262 202 K HA 0.238 4.558 4.320 -0.000 0.000 0.166 202 K C 0.038 176.630 176.600 -0.013 0.000 1.091 202 K CA -0.475 55.762 56.287 -0.083 0.000 0.798 202 K CB 0.839 33.266 32.500 -0.122 0.000 0.953 202 K HN 0.047 nan 8.250 nan 0.000 0.588 211 L N 0.930 122.110 121.223 -0.072 0.000 2.301 211 L HA 0.846 5.186 4.340 -0.000 0.000 0.264 211 L C -0.378 176.525 176.870 0.055 0.000 1.016 211 L CA -0.986 53.766 54.840 -0.146 0.000 0.821 211 L CB 2.145 43.884 42.059 -0.534 0.000 1.346 211 L HN 0.796 nan 8.230 nan 0.000 0.429 212 M N 1.049 120.763 119.600 0.190 0.000 2.243 212 M HA 0.662 5.142 4.480 -0.000 0.000 0.324 212 M C -0.545 176.117 176.300 0.603 0.000 1.031 212 M CA -0.519 54.978 55.300 0.328 0.000 0.949 212 M CB 1.561 34.268 32.600 0.178 0.000 1.615 212 M HN 0.476 nan 8.290 nan 0.000 0.430 213 G N 6.530 115.702 108.800 0.620 0.000 2.557 213 G HA2 0.697 4.657 3.960 -0.000 0.000 0.310 213 G HA3 0.697 4.657 3.960 -0.000 0.000 0.310 213 G C -1.237 173.862 174.900 0.332 0.000 1.328 213 G CA -0.563 44.803 45.100 0.444 0.000 0.945 213 G HN 0.788 nan 8.290 nan 0.000 0.494 214 I N 2.100 122.812 120.570 0.237 0.000 2.441 214 I HA 0.448 4.618 4.170 -0.000 0.000 0.295 214 I C -0.909 174.994 176.117 -0.357 0.000 0.994 214 I CA -0.894 60.405 61.300 -0.002 0.000 1.144 214 I CB 2.118 40.116 38.000 -0.004 0.000 1.314 214 I HN 0.207 nan 8.210 nan 0.000 0.445 215 L N 6.183 126.863 121.223 -0.906 0.000 2.386 215 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 215 L C -0.388 176.136 176.870 -0.576 0.000 0.993 215 L CA -0.386 53.899 54.840 -0.924 0.000 0.819 215 L CB 1.646 42.741 42.059 -1.606 0.000 1.294 215 L HN 0.440 nan 8.230 nan 0.000 0.414 216 N N 2.991 121.492 118.700 -0.333 0.000 2.503 216 N HA 0.115 4.855 4.740 -0.000 0.000 0.267 216 N C 1.047 176.404 175.510 -0.256 0.000 1.214 216 N CA -0.139 52.757 53.050 -0.256 0.000 0.959 216 N CB 1.032 39.452 38.487 -0.111 0.000 1.142 216 N HN 0.732 nan 8.380 nan 0.000 0.455 217 I N 1.664 122.019 120.570 -0.358 0.000 2.567 217 I HA -0.250 3.919 4.170 -0.000 0.000 0.257 217 I C 0.922 176.994 176.117 -0.076 0.000 1.184 217 I CA 1.341 62.465 61.300 -0.292 0.000 1.451 217 I CB -0.089 37.661 38.000 -0.417 0.000 1.089 217 I HN 0.518 nan 8.210 nan 0.000 0.441 218 N N -1.370 117.311 118.700 -0.032 0.000 2.268 218 N HA -0.042 4.698 4.740 -0.000 0.000 0.204 218 N C 0.571 176.108 175.510 0.045 0.000 1.124 218 N CA -0.038 53.026 53.050 0.022 0.000 0.838 218 N CB -0.627 37.875 38.487 0.026 0.000 0.994 218 N HN 0.340 nan 8.380 nan 0.000 0.489 219 H N 1.611 120.658 119.070 -0.039 0.000 2.722 219 H HA 0.155 4.711 4.556 -0.000 0.000 0.328 219 H C -1.618 173.708 175.328 -0.002 0.000 1.067 219 H CA -1.504 54.539 56.048 -0.008 0.000 1.447 219 H CB 1.603 31.330 29.762 -0.058 0.000 1.469 219 H HN -0.089 nan 8.280 nan 0.000 0.544 220 P HA -0.114 nan 4.420 nan 0.000 0.220 220 P C 0.408 177.806 177.300 0.164 0.000 1.144 220 P CA 1.167 64.299 63.100 0.053 0.000 0.800 220 P CB 0.375 32.055 31.700 -0.033 0.000 0.772 221 D N -1.828 118.804 120.400 0.387 0.000 2.328 221 D HA 0.035 4.675 4.640 -0.000 0.000 0.221 221 D C 1.552 177.920 176.300 0.113 0.000 1.072 221 D CA -0.149 53.970 54.000 0.197 0.000 0.850 221 D CB -0.461 40.425 40.800 0.143 0.000 0.922 221 D HN 0.058 nan 8.370 nan 0.000 0.516 222 I N 1.520 122.156 120.570 0.110 0.000 2.248 222 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 222 I C 1.774 177.961 176.117 0.118 0.000 1.107 222 I CA 1.717 63.056 61.300 0.065 0.000 1.373 222 I CB 0.054 38.066 38.000 0.020 0.000 1.055 222 I HN -0.036 nan 8.210 nan 0.000 0.418 223 E N -0.242 120.012 120.200 0.090 0.000 2.106 223 E HA -0.271 4.078 4.350 -0.000 0.000 0.192 223 E C 2.103 178.743 176.600 0.065 0.000 0.984 223 E CA 1.295 57.740 56.400 0.075 0.000 0.806 223 E CB -0.263 29.473 29.700 0.060 0.000 0.750 223 E HN 0.639 nan 8.360 nan 0.000 0.458 224 E N 0.518 120.759 120.200 0.068 0.000 2.051 224 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 224 E C 1.892 178.518 176.600 0.043 0.000 0.991 224 E CA 0.822 57.249 56.400 0.045 0.000 0.799 224 E CB -0.140 29.585 29.700 0.041 0.000 0.748 224 E HN 0.191 nan 8.360 nan 0.000 0.449 225 F N 1.412 121.310 119.950 -0.087 0.000 2.095 225 F HA -0.211 4.315 4.527 -0.000 0.000 0.298 225 F C 2.020 177.757 175.800 -0.104 0.000 1.104 225 F CA 1.690 59.612 58.000 -0.130 0.000 1.232 225 F CB -0.226 38.671 39.000 -0.171 0.000 0.987 225 F HN 0.022 nan 8.300 nan 0.000 0.475 226 I N 0.149 120.725 120.570 0.009 0.000 2.264 226 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 226 I C 1.454 177.491 176.117 -0.133 0.000 1.111 226 I CA 1.692 62.952 61.300 -0.067 0.000 1.382 226 I CB -0.482 37.543 38.000 0.041 0.000 1.060 226 I HN 0.084 nan 8.210 nan 0.000 0.418 227 D N 0.409 120.756 120.400 -0.089 0.000 2.340 227 D HA 0.106 4.745 4.640 -0.000 0.000 0.220 227 D C 2.051 178.286 176.300 -0.109 0.000 1.039 227 D CA 0.566 54.524 54.000 -0.070 0.000 0.866 227 D CB 0.216 41.001 40.800 -0.025 0.000 0.913 227 D HN 0.257 nan 8.370 nan 0.000 0.523 228 A N 0.660 123.363 122.820 -0.195 0.000 1.972 228 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 228 A C 1.894 179.375 177.584 -0.171 0.000 1.169 228 A CA 1.199 53.122 52.037 -0.191 0.000 0.635 228 A CB -0.108 18.710 19.000 -0.302 0.000 0.810 228 A HN 0.065 nan 8.150 nan 0.000 0.446 229 K N -0.270 120.016 120.400 -0.191 0.000 2.372 229 K HA 0.059 4.379 4.320 -0.000 0.000 0.200 229 K C 0.056 176.602 176.600 -0.089 0.000 1.022 229 K CA -0.038 56.165 56.287 -0.141 0.000 1.125 229 K CB 0.227 32.635 32.500 -0.153 0.000 0.855 229 K HN 0.645 nan 8.250 nan 0.000 0.524 230 K N 1.938 122.296 120.400 -0.070 0.000 2.237 230 K HA 0.048 4.368 4.320 -0.000 0.000 0.270 230 K C -0.167 176.417 176.600 -0.027 0.000 1.015 230 K CA -0.493 55.773 56.287 -0.035 0.000 0.949 230 K CB 0.665 33.157 32.500 -0.013 0.000 0.976 230 K HN 0.212 nan 8.250 nan 0.000 0.472 237 V N -1.394 118.480 119.914 -0.065 0.000 1.103 237 V HA -0.375 3.745 4.120 -0.000 0.000 0.040 237 V C 0.901 176.863 176.094 -0.220 0.000 2.043 237 V CA 2.474 64.704 62.300 -0.118 0.000 3.014 237 V CB -1.854 29.896 31.823 -0.121 0.000 1.416 237 V HN 0.905 nan 8.190 nan 0.000 0.953 238 L N 1.594 122.713 121.223 -0.174 0.000 3.100 238 L HA 0.365 4.705 4.340 -0.000 0.000 0.259 238 L C 1.525 178.426 176.870 0.052 0.000 1.316 238 L CA 0.487 55.303 54.840 -0.040 0.000 0.992 238 L CB 0.199 42.167 42.059 -0.152 0.000 1.390 238 L HN 0.673 nan 8.230 nan 0.000 0.550 239 N N -0.730 117.978 118.700 0.014 0.000 2.331 239 N HA -0.163 4.576 4.740 -0.000 0.000 0.180 239 N C 1.324 176.715 175.510 -0.198 0.000 1.019 239 N CA 1.224 54.211 53.050 -0.105 0.000 0.881 239 N CB -0.114 38.271 38.487 -0.169 0.000 0.972 239 N HN 0.222 nan 8.380 nan 0.000 0.435 240 F N -0.726 119.218 119.950 -0.010 0.000 2.789 240 F HA 0.317 4.844 4.527 -0.000 0.000 0.300 240 F C 0.056 175.768 175.800 -0.147 0.000 1.132 240 F CA -0.195 57.754 58.000 -0.084 0.000 1.404 240 F CB 0.027 38.953 39.000 -0.125 0.000 1.114 240 F HN -0.110 nan 8.300 nan 0.000 0.584 241 F N 0.921 120.928 119.950 0.095 0.000 2.404 241 F HA 0.258 4.785 4.527 -0.000 0.000 0.345 241 F C 0.524 176.319 175.800 -0.007 0.000 1.110 241 F CA -0.862 57.170 58.000 0.055 0.000 1.130 241 F CB 0.424 39.423 39.000 -0.002 0.000 1.129 241 F HN -0.219 nan 8.300 nan 0.000 0.500 242 N N 3.367 122.192 118.700 0.208 0.000 2.524 242 N HA 0.383 5.123 4.740 -0.000 0.000 0.283 242 N C -1.225 174.396 175.510 0.186 0.000 1.142 242 N CA -0.359 52.769 53.050 0.130 0.000 0.984 242 N CB 1.437 39.974 38.487 0.083 0.000 1.155 242 N HN 0.279 nan 8.380 nan 0.000 0.467 243 L N 1.030 122.297 121.223 0.074 0.000 2.381 243 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 243 L C -0.278 176.648 176.870 0.094 0.000 0.988 243 L CA -0.365 54.504 54.840 0.049 0.000 0.824 243 L CB 1.448 43.334 42.059 -0.288 0.000 1.263 243 L HN 0.399 nan 8.230 nan 0.000 0.410 244 S N 1.713 117.538 115.700 0.208 0.000 2.513 244 S HA 0.709 5.179 4.470 -0.000 0.000 0.299 244 S C -0.613 174.083 174.600 0.159 0.000 1.087 244 S CA -0.581 57.696 58.200 0.129 0.000 1.012 244 S CB 2.281 65.508 63.200 0.045 0.000 1.044 244 S HN 0.227 nan 8.310 nan 0.000 0.485 245 V N 2.474 122.421 119.914 0.055 0.000 2.530 245 V HA 0.494 4.614 4.120 -0.000 0.000 0.282 245 V C 0.953 176.859 176.094 -0.313 0.000 1.048 245 V CA -0.355 61.857 62.300 -0.147 0.000 0.997 245 V CB 0.962 32.652 31.823 -0.223 0.000 0.987 245 V HN 0.956 nan 8.190 nan 0.000 0.477 246 G N 3.661 112.212 108.800 -0.416 0.000 2.338 246 G HA2 0.577 4.537 3.960 -0.000 0.000 0.298 246 G HA3 0.577 4.537 3.960 -0.000 0.000 0.298 246 G C -0.978 173.642 174.900 -0.467 0.000 1.140 246 G CA -0.284 44.644 45.100 -0.287 0.000 0.860 246 G HN 0.519 nan 8.290 nan 0.000 0.470 247 F N 3.578 123.566 119.950 0.063 0.000 2.363 247 F HA 0.312 4.839 4.527 -0.000 0.000 0.366 247 F C -1.412 174.452 175.800 0.105 0.000 1.083 247 F CA -2.198 55.883 58.000 0.135 0.000 1.176 247 F CB 2.671 41.851 39.000 0.300 0.000 1.432 247 F HN 0.350 nan 8.300 nan 0.000 0.482 248 P HA -0.078 nan 4.420 nan 0.000 0.231 248 P C 0.565 177.927 177.300 0.103 0.000 1.168 248 P CA 0.879 64.042 63.100 0.104 0.000 0.779 248 P CB 0.153 31.888 31.700 0.057 0.000 0.844 249 M N -1.104 118.579 119.600 0.138 0.000 2.159 249 M HA 0.338 4.817 4.480 -0.000 0.000 0.293 249 M C 0.144 176.496 176.300 0.087 0.000 1.186 249 M CA -0.048 55.316 55.300 0.106 0.000 1.073 249 M CB -0.640 32.030 32.600 0.117 0.000 1.419 249 M HN -0.275 nan 8.290 nan 0.000 0.490 250 D N 0.951 121.374 120.400 0.038 0.000 2.443 250 D HA 0.049 4.688 4.640 -0.000 0.000 0.239 250 D C 0.660 176.937 176.300 -0.038 0.000 1.136 250 D CA 0.261 54.254 54.000 -0.011 0.000 0.879 250 D CB 1.044 41.831 40.800 -0.021 0.000 1.195 250 D HN 0.548 nan 8.370 nan 0.000 0.443 251 K N 2.420 122.743 120.400 -0.130 0.000 2.147 251 K HA -0.166 4.153 4.320 -0.000 0.000 0.205 251 K C 1.867 178.354 176.600 -0.189 0.000 1.049 251 K CA 1.110 57.234 56.287 -0.272 0.000 0.936 251 K CB 0.206 32.431 32.500 -0.459 0.000 0.722 251 K HN 0.344 nan 8.250 nan 0.000 0.446 252 K N 1.055 121.382 120.400 -0.123 0.000 2.063 252 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 252 K C 1.942 178.513 176.600 -0.048 0.000 1.048 252 K CA 1.621 57.859 56.287 -0.082 0.000 0.928 252 K CB 0.021 32.485 32.500 -0.059 0.000 0.713 252 K HN 0.227 nan 8.250 nan 0.000 0.442 253 E N 0.439 120.626 120.200 -0.022 0.000 2.077 253 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 253 E C 1.987 178.604 176.600 0.028 0.000 0.989 253 E CA 0.780 57.187 56.400 0.011 0.000 0.800 253 E CB -0.029 29.691 29.700 0.034 0.000 0.746 253 E HN 0.190 nan 8.360 nan 0.000 0.452 254 I N 1.074 121.661 120.570 0.028 0.000 2.252 254 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 254 I C 2.486 178.599 176.117 -0.005 0.000 1.102 254 I CA 0.856 62.196 61.300 0.067 0.000 1.385 254 I CB -0.727 37.340 38.000 0.112 0.000 1.064 254 I HN 0.166 nan 8.210 nan 0.000 0.414 255 L N 1.145 122.319 121.223 -0.082 0.000 2.056 255 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 255 L C 2.510 179.364 176.870 -0.026 0.000 1.078 255 L CA 1.907 56.680 54.840 -0.111 0.000 0.749 255 L CB -0.743 41.229 42.059 -0.144 0.000 0.901 255 L HN 0.086 nan 8.230 nan 0.000 0.433 256 K N -0.620 119.772 120.400 -0.013 0.000 2.032 256 K HA -0.199 4.120 4.320 -0.000 0.000 0.209 256 K C 2.170 178.789 176.600 0.031 0.000 1.048 256 K CA 1.850 58.142 56.287 0.008 0.000 0.927 256 K CB -0.403 32.099 32.500 0.003 0.000 0.712 256 K HN 0.397 nan 8.250 nan 0.000 0.441 257 L N 0.359 121.607 121.223 0.041 0.000 2.042 257 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 257 L C 2.250 179.145 176.870 0.043 0.000 1.076 257 L CA 1.811 56.680 54.840 0.047 0.000 0.749 257 L CB -0.522 41.581 42.059 0.072 0.000 0.893 257 L HN 0.365 nan 8.230 nan 0.000 0.432 258 Y N 1.249 121.493 120.300 -0.094 0.000 2.128 258 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 258 Y C 2.552 178.395 175.900 -0.094 0.000 1.154 258 Y CA 2.176 60.189 58.100 -0.145 0.000 1.149 258 Y CB -0.181 38.092 38.460 -0.312 0.000 0.976 258 Y HN 0.271 nan 8.280 nan 0.000 0.505 259 E N -0.217 120.093 120.200 0.184 0.000 2.110 259 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 259 E C 1.596 178.215 176.600 0.032 0.000 0.988 259 E CA 1.491 57.960 56.400 0.114 0.000 0.804 259 E CB -0.137 29.603 29.700 0.066 0.000 0.745 259 E HN 0.625 nan 8.360 nan 0.000 0.458 260 E N 0.703 120.909 120.200 0.010 0.000 2.494 260 E HA -0.062 4.287 4.350 -0.000 0.000 0.193 260 E C -0.268 176.311 176.600 -0.035 0.000 1.074 260 E CA 0.045 56.440 56.400 -0.008 0.000 0.867 260 E CB 0.061 29.760 29.700 -0.001 0.000 0.924 260 E HN 0.116 nan 8.360 nan 0.000 0.502 261 D N 0.738 121.091 120.400 -0.078 0.000 2.701 261 D HA -0.145 4.495 4.640 -0.000 0.000 0.235 261 D C 0.256 176.511 176.300 -0.074 0.000 1.155 261 D CA 0.870 54.796 54.000 -0.123 0.000 0.649 261 D CB -0.969 39.772 40.800 -0.099 0.000 1.050 261 D HN 0.348 nan 8.370 nan 0.000 0.425 262 G N 0.038 108.808 108.800 -0.049 0.000 2.651 262 G HA2 0.451 4.411 3.960 -0.000 0.000 0.260 262 G HA3 0.451 4.411 3.960 -0.000 0.000 0.260 262 G C -0.075 174.823 174.900 -0.003 0.000 1.216 262 G CA -0.551 44.540 45.100 -0.015 0.000 0.913 262 G HN 0.310 nan 8.290 nan 0.000 0.535 263 E N -1.226 118.984 120.200 0.017 0.000 2.221 263 E HA 0.450 4.800 4.350 -0.000 0.000 0.268 263 E C -1.267 175.364 176.600 0.052 0.000 0.933 263 E CA -0.767 55.652 56.400 0.031 0.000 0.809 263 E CB 2.565 32.279 29.700 0.023 0.000 1.190 263 E HN 0.170 nan 8.360 nan 0.000 0.406 264 L N 1.658 122.921 121.223 0.067 0.000 2.329 264 L HA 0.268 4.608 4.340 -0.000 0.000 0.279 264 L C -0.587 176.318 176.870 0.058 0.000 1.014 264 L CA -0.350 54.537 54.840 0.077 0.000 0.814 264 L CB 1.674 43.801 42.059 0.114 0.000 1.257 264 L HN 0.510 nan 8.230 nan 0.000 0.424 265 E N 4.554 124.783 120.200 0.048 0.000 2.130 265 E HA 0.357 4.706 4.350 -0.000 0.000 0.284 265 E C -1.315 175.305 176.600 0.033 0.000 1.018 265 E CA -0.428 55.994 56.400 0.036 0.000 0.817 265 E CB 0.648 30.364 29.700 0.027 0.000 1.078 265 E HN 0.597 nan 8.360 nan 0.000 0.396 266 L N 4.673 125.915 121.223 0.031 0.000 2.313 266 L HA 0.356 4.695 4.340 -0.000 0.000 0.282 266 L C 0.050 176.924 176.870 0.007 0.000 1.092 266 L CA -0.316 54.538 54.840 0.023 0.000 0.831 266 L CB 0.534 42.612 42.059 0.032 0.000 1.159 266 L HN 0.596 nan 8.230 nan 0.000 0.442 267 S N 1.776 117.471 115.700 -0.008 0.000 2.588 267 S HA 0.536 5.006 4.470 -0.000 0.000 0.269 267 S C -1.386 173.205 174.600 -0.014 0.000 1.157 267 S CA -0.900 57.295 58.200 -0.008 0.000 0.824 267 S CB 2.559 65.757 63.200 -0.002 0.000 1.126 267 S HN 0.694 nan 8.310 nan 0.000 0.464 268 H N 0.777 119.776 119.070 -0.119 0.000 2.865 268 H HA 0.415 4.971 4.556 -0.000 0.000 0.362 268 H C -2.309 172.984 175.328 -0.059 0.000 1.114 268 H CA -1.776 54.192 56.048 -0.133 0.000 1.208 268 H CB 2.451 32.080 29.762 -0.222 0.000 1.727 268 H HN 0.493 nan 8.280 nan 0.000 0.534 269 P HA -0.081 nan 4.420 nan 0.000 0.216 269 P C 0.487 177.776 177.300 -0.018 0.000 1.150 269 P CA 1.087 64.079 63.100 -0.179 0.000 0.837 269 P CB 0.313 31.872 31.700 -0.234 0.000 0.786 270 R N -0.517 120.055 120.500 0.120 0.000 2.721 270 R HA 0.377 4.716 4.340 -0.000 0.000 0.296 270 R C 0.415 176.886 176.300 0.285 0.000 1.174 270 R CA -0.044 56.203 56.100 0.246 0.000 1.129 270 R CB 0.110 30.567 30.300 0.262 0.000 1.316 270 R HN 0.068 nan 8.270 nan 0.000 0.571 271 S N -1.158 114.687 115.700 0.242 0.000 2.579 271 S HA 0.210 4.680 4.470 -0.000 0.000 0.272 271 S C 0.685 175.340 174.600 0.092 0.000 1.141 271 S CA -0.666 57.621 58.200 0.145 0.000 0.843 271 S CB 1.649 64.903 63.200 0.089 0.000 1.122 271 S HN 0.244 nan 8.310 nan 0.000 0.468 272 T N 0.376 114.971 114.554 0.069 0.000 3.040 272 T HA 0.383 4.733 4.350 -0.000 0.000 0.250 272 T C 0.661 175.380 174.700 0.031 0.000 1.058 272 T CA -0.036 62.089 62.100 0.040 0.000 0.988 272 T CB -0.571 68.312 68.868 0.026 0.000 0.993 272 T HN 0.545 nan 8.240 nan 0.000 0.519 273 I N 2.840 123.430 120.570 0.034 0.000 2.680 273 I HA 0.185 4.355 4.170 -0.000 0.000 0.286 273 I C 0.601 176.729 176.117 0.017 0.000 1.144 273 I CA 0.186 61.499 61.300 0.023 0.000 1.370 273 I CB 0.047 38.057 38.000 0.016 0.000 1.420 273 I HN 0.056 nan 8.210 nan 0.000 0.540 274 R N 5.900 126.409 120.500 0.016 0.000 2.670 274 R HA 0.662 5.002 4.340 -0.000 0.000 0.289 274 R C -0.826 175.484 176.300 0.016 0.000 0.965 274 R CA -1.066 55.043 56.100 0.014 0.000 0.899 274 R CB 2.654 32.962 30.300 0.013 0.000 1.173 274 R HN 0.477 nan 8.270 nan 0.000 0.456 275 K N 1.706 122.117 120.400 0.019 0.000 2.542 275 K HA 0.284 4.603 4.320 -0.000 0.000 0.259 275 K C -1.661 174.955 176.600 0.026 0.000 0.932 275 K CA -0.691 55.610 56.287 0.023 0.000 0.820 275 K CB 1.933 34.449 32.500 0.026 0.000 1.345 275 K HN 0.275 nan 8.250 nan 0.000 0.432 276 K N 2.806 123.222 120.400 0.026 0.000 2.213 276 K HA 0.441 4.760 4.320 -0.000 0.000 0.270 276 K C -1.050 175.570 176.600 0.033 0.000 1.002 276 K CA -0.822 55.482 56.287 0.029 0.000 0.868 276 K CB 1.495 34.008 32.500 0.023 0.000 1.093 276 K HN 0.457 nan 8.250 nan 0.000 0.454 277 V N 0.198 120.138 119.914 0.043 0.000 2.823 277 V HA 0.482 4.602 4.120 -0.000 0.000 0.312 277 V C -0.536 175.589 176.094 0.053 0.000 1.072 277 V CA -1.287 61.043 62.300 0.050 0.000 0.937 277 V CB 1.750 33.611 31.823 0.063 0.000 1.013 277 V HN 0.534 nan 8.190 nan 0.000 0.430 278 K N 2.407 122.832 120.400 0.042 0.000 2.378 278 K HA 0.231 4.551 4.320 -0.000 0.000 0.288 278 K C 0.786 177.422 176.600 0.061 0.000 1.057 278 K CA -0.121 56.181 56.287 0.026 0.000 0.971 278 K CB 1.445 33.944 32.500 -0.001 0.000 0.975 278 K HN 0.783 nan 8.250 nan 0.000 0.475 279 I N 4.457 125.072 120.570 0.074 0.000 2.248 279 I HA -0.301 3.868 4.170 -0.000 0.000 0.248 279 I C 2.081 178.306 176.117 0.180 0.000 1.107 279 I CA 1.637 63.047 61.300 0.184 0.000 1.373 279 I CB -0.038 38.074 38.000 0.186 0.000 1.055 279 I HN 0.532 nan 8.210 nan 0.000 0.418 280 R N -0.033 120.391 120.500 -0.127 0.000 2.127 280 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 280 R C 2.100 178.442 176.300 0.069 0.000 1.134 280 R CA 1.669 57.602 56.100 -0.277 0.000 0.975 280 R CB -0.357 29.667 30.300 -0.460 0.000 0.865 280 R HN 0.544 nan 8.270 nan 0.000 0.447 281 E N 0.147 120.393 120.200 0.077 0.000 2.112 281 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 281 E C 1.817 178.518 176.600 0.167 0.000 0.979 281 E CA 0.377 56.839 56.400 0.104 0.000 0.814 281 E CB 0.073 29.808 29.700 0.058 0.000 0.762 281 E HN 0.040 nan 8.360 nan 0.000 0.460 282 L N 0.163 121.514 121.223 0.213 0.000 2.017 282 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 282 L C 1.941 178.965 176.870 0.257 0.000 1.073 282 L CA 1.652 56.622 54.840 0.217 0.000 0.745 282 L CB -0.804 41.400 42.059 0.241 0.000 0.894 282 L HN 0.122 nan 8.230 nan 0.000 0.432 283 F N -0.364 119.740 119.950 0.257 0.000 2.134 283 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 283 F C 2.789 178.782 175.800 0.321 0.000 1.097 283 F CA 1.716 59.928 58.000 0.354 0.000 1.264 283 F CB -0.232 39.086 39.000 0.530 0.000 1.001 283 F HN 0.074 nan 8.300 nan 0.000 0.479 284 R N 0.804 121.541 120.500 0.395 0.000 2.075 284 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 284 R C 2.286 178.691 176.300 0.175 0.000 1.126 284 R CA 1.563 57.813 56.100 0.251 0.000 0.963 284 R CB -0.272 30.127 30.300 0.165 0.000 0.858 284 R HN 0.145 nan 8.270 nan 0.000 0.435 285 K N 0.424 120.916 120.400 0.153 0.000 2.032 285 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 285 K C 1.989 178.662 176.600 0.122 0.000 1.048 285 K CA 1.862 58.216 56.287 0.111 0.000 0.927 285 K CB -0.123 32.432 32.500 0.093 0.000 0.712 285 K HN 0.214 nan 8.250 nan 0.000 0.441 286 I N 0.832 121.486 120.570 0.140 0.000 2.179 286 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 286 I C 2.479 178.752 176.117 0.261 0.000 1.088 286 I CA 1.295 62.681 61.300 0.143 0.000 1.357 286 I CB -0.352 37.675 38.000 0.046 0.000 1.051 286 I HN 0.221 nan 8.210 nan 0.000 0.409 287 A N 0.279 123.311 122.820 0.355 0.000 1.933 287 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 287 A C 2.397 180.105 177.584 0.206 0.000 1.175 287 A CA 2.401 54.610 52.037 0.286 0.000 0.628 287 A CB -1.125 17.974 19.000 0.165 0.000 0.814 287 A HN 0.400 nan 8.150 nan 0.000 0.444 288 T N 0.281 114.925 114.554 0.150 0.000 2.708 288 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 288 T C 1.799 176.629 174.700 0.218 0.000 1.037 288 T CA 1.870 64.042 62.100 0.120 0.000 1.146 288 T CB -0.489 68.406 68.868 0.046 0.000 0.865 288 T HN 0.681 nan 8.240 nan 0.000 0.435 289 N N 0.729 119.526 118.700 0.161 0.000 2.142 289 N HA 0.024 4.764 4.740 -0.000 0.000 0.186 289 N C 2.122 177.714 175.510 0.137 0.000 1.023 289 N CA 0.938 54.065 53.050 0.128 0.000 0.852 289 N CB -0.183 38.341 38.487 0.062 0.000 0.998 289 N HN 0.361 nan 8.380 nan 0.000 0.424 290 A N -0.042 122.881 122.820 0.171 0.000 1.930 290 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 290 A C 1.907 179.589 177.584 0.163 0.000 1.175 290 A CA 1.012 53.145 52.037 0.160 0.000 0.627 290 A CB -1.085 18.059 19.000 0.241 0.000 0.815 290 A HN 0.646 nan 8.150 nan 0.000 0.443 291 W N 0.872 122.184 121.300 0.020 0.000 2.374 291 W HA -0.154 4.506 4.660 -0.000 0.000 0.288 291 W C 1.957 178.476 176.519 -0.000 0.000 1.218 291 W CA 2.034 59.380 57.345 0.001 0.000 1.245 291 W CB 0.111 29.569 29.460 -0.003 0.000 1.126 291 W HN 0.226 nan 8.180 nan 0.000 0.545 292 K N -0.706 119.840 120.400 0.243 0.000 2.116 292 K HA -0.051 4.268 4.320 -0.000 0.000 0.203 292 K C 1.946 178.503 176.600 -0.072 0.000 1.052 292 K CA 1.673 58.000 56.287 0.067 0.000 0.952 292 K CB -0.080 32.532 32.500 0.186 0.000 0.729 292 K HN 0.206 nan 8.250 nan 0.000 0.446 293 S N -2.599 113.081 115.700 -0.032 0.000 2.684 293 S HA 0.231 4.701 4.470 -0.000 0.000 0.268 293 S C 1.154 175.721 174.600 -0.055 0.000 1.075 293 S CA 0.274 58.441 58.200 -0.054 0.000 1.184 293 S CB 1.278 64.457 63.200 -0.036 0.000 1.129 293 S HN 0.354 nan 8.310 nan 0.000 0.630 294 G N 0.999 109.781 108.800 -0.031 0.000 2.195 294 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.246 294 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.246 294 G C -0.436 174.463 174.900 -0.002 0.000 0.984 294 G CA 0.293 45.380 45.100 -0.022 0.000 0.633 294 G HN 0.577 nan 8.290 nan 0.000 0.525 295 D N 0.982 121.377 120.400 -0.008 0.000 2.575 295 D HA 0.496 5.136 4.640 -0.000 0.000 0.236 295 D C -2.705 173.583 176.300 -0.021 0.000 1.075 295 D CA -1.082 52.901 54.000 -0.027 0.000 0.860 295 D CB 3.163 43.916 40.800 -0.078 0.000 1.475 295 D HN 0.127 nan 8.370 nan 0.000 0.474 296 P HA 0.256 nan 4.420 nan 0.000 0.282 296 P C -0.042 177.266 177.300 0.012 0.000 1.259 296 P CA -0.270 62.809 63.100 -0.035 0.000 0.826 296 P CB 1.339 33.012 31.700 -0.045 0.000 1.064 297 G N 0.923 109.725 108.800 0.005 0.000 2.535 297 G HA2 0.537 4.497 3.960 -0.000 0.000 0.282 297 G HA3 0.537 4.497 3.960 -0.000 0.000 0.282 297 G C -0.697 174.152 174.900 -0.084 0.000 1.350 297 G CA -0.820 44.267 45.100 -0.023 0.000 1.039 297 G HN 0.437 nan 8.290 nan 0.000 0.509 298 L N 0.030 121.140 121.223 -0.188 0.000 2.341 298 L HA 0.623 4.962 4.340 -0.000 0.000 0.278 298 L C 0.055 176.700 176.870 -0.374 0.000 1.005 298 L CA -0.950 53.735 54.840 -0.258 0.000 0.818 298 L CB 2.072 43.794 42.059 -0.562 0.000 1.259 298 L HN 0.540 nan 8.230 nan 0.000 0.418 299 A N 3.183 125.900 122.820 -0.171 0.000 2.293 299 A HA 0.631 4.951 4.320 -0.000 0.000 0.312 299 A C -0.735 176.874 177.584 0.041 0.000 1.309 299 A CA -0.391 51.570 52.037 -0.127 0.000 0.839 299 A CB 0.002 18.986 19.000 -0.026 0.000 1.155 299 A HN 0.503 nan 8.150 nan 0.000 0.501 300 F N 3.841 123.883 119.950 0.153 0.000 2.661 300 F HA 0.178 4.705 4.527 -0.000 0.000 0.356 300 F C 1.274 177.128 175.800 0.090 0.000 1.244 300 F CA -0.668 57.412 58.000 0.133 0.000 1.290 300 F CB -0.515 38.513 39.000 0.046 0.000 1.677 300 F HN 0.579 nan 8.300 nan 0.000 0.649 301 L N 0.859 122.229 121.223 0.245 0.000 2.042 301 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 301 L C 2.610 179.510 176.870 0.050 0.000 1.076 301 L CA 1.521 56.426 54.840 0.107 0.000 0.749 301 L CB -0.871 41.227 42.059 0.066 0.000 0.893 301 L HN 0.634 nan 8.230 nan 0.000 0.432 302 G N -0.311 108.535 108.800 0.076 0.000 2.446 302 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.217 302 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.217 302 G C 1.446 176.313 174.900 -0.054 0.000 1.168 302 G CA 0.933 46.021 45.100 -0.020 0.000 0.771 302 G HN 0.326 nan 8.290 nan 0.000 0.551 303 E N 0.107 120.327 120.200 0.034 0.000 2.160 303 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 303 E C 2.577 179.240 176.600 0.106 0.000 0.991 303 E CA 1.045 57.479 56.400 0.056 0.000 0.810 303 E CB -0.249 29.534 29.700 0.137 0.000 0.742 303 E HN 0.530 nan 8.360 nan 0.000 0.466 304 M N -0.204 119.450 119.600 0.089 0.000 2.156 304 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 304 M C 1.783 178.101 176.300 0.030 0.000 1.067 304 M CA 1.021 56.374 55.300 0.087 0.000 1.131 304 M CB -0.138 32.480 32.600 0.030 0.000 1.368 304 M HN 0.053 nan 8.290 nan 0.000 0.416 305 N N 0.422 119.047 118.700 -0.126 0.000 2.270 305 N HA -0.107 4.633 4.740 -0.000 0.000 0.181 305 N C 1.526 176.860 175.510 -0.294 0.000 1.016 305 N CA 0.921 53.773 53.050 -0.330 0.000 0.870 305 N CB -0.210 37.726 38.487 -0.919 0.000 0.979 305 N HN 0.352 nan 8.380 nan 0.000 0.431 306 K N 0.040 120.274 120.400 -0.276 0.000 2.127 306 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 306 K C 0.583 176.968 176.600 -0.357 0.000 1.047 306 K CA 1.534 57.600 56.287 -0.368 0.000 0.927 306 K CB -0.029 32.132 32.500 -0.565 0.000 0.716 306 K HN 0.233 nan 8.250 nan 0.000 0.450 307 Y N -1.925 118.445 120.300 0.117 0.000 2.531 307 Y HA 0.104 4.653 4.550 -0.000 0.000 0.249 307 Y C -0.326 175.798 175.900 0.373 0.000 1.168 307 Y CA -0.769 57.440 58.100 0.182 0.000 1.226 307 Y CB 0.228 38.717 38.460 0.048 0.000 1.177 307 Y HN -0.018 nan 8.280 nan 0.000 0.527 308 Y N 3.669 124.108 120.300 0.231 0.000 2.486 308 Y HA 0.266 4.815 4.550 -0.000 0.000 0.348 308 Y C -1.810 174.135 175.900 0.075 0.000 1.000 308 Y CA -4.122 54.080 58.100 0.169 0.000 1.253 308 Y CB 1.056 39.579 38.460 0.105 0.000 1.140 308 Y HN 0.023 nan 8.280 nan 0.000 0.526 309 P HA -0.144 nan 4.420 nan 0.000 0.221 309 P C 0.883 177.848 177.300 -0.558 0.000 1.145 309 P CA 1.649 64.419 63.100 -0.549 0.000 0.795 309 P CB 0.239 31.792 31.700 -0.244 0.000 0.775 310 L N -4.221 116.510 121.223 -0.819 0.000 2.640 310 L HA 0.169 4.509 4.340 -0.000 0.000 0.230 310 L C 0.702 177.177 176.870 -0.659 0.000 1.123 310 L CA -0.592 53.824 54.840 -0.708 0.000 0.900 310 L CB -0.318 41.379 42.059 -0.602 0.000 1.146 310 L HN -0.052 nan 8.230 nan 0.000 0.484 311 Y N 2.883 122.776 120.300 -0.678 0.000 2.359 311 Y HA 0.174 4.724 4.550 -0.000 0.000 0.330 311 Y C -1.608 174.035 175.900 -0.428 0.000 1.143 311 Y CA -1.974 55.925 58.100 -0.334 0.000 1.318 311 Y CB 0.970 39.389 38.460 -0.069 0.000 1.234 311 Y HN -0.081 nan 8.280 nan 0.000 0.522 312 P HA 0.080 nan 4.420 nan 0.000 0.255 312 P C 0.436 177.441 177.300 -0.491 0.000 1.248 312 P CA 1.008 63.353 63.100 -1.258 0.000 0.807 312 P CB 0.155 31.231 31.700 -1.039 0.000 1.150 313 H N -0.472 118.431 119.070 -0.277 0.000 2.319 313 H HA -0.016 4.540 4.556 -0.000 0.000 0.297 313 H C 0.920 176.208 175.328 -0.067 0.000 1.097 313 H CA 0.794 56.752 56.048 -0.150 0.000 1.285 313 H CB -0.046 29.638 29.762 -0.130 0.000 1.368 313 H HN 0.008 nan 8.280 nan 0.000 0.495 314 R N 0.606 121.142 120.500 0.059 0.000 2.740 314 R HA 0.433 4.773 4.340 -0.000 0.000 0.282 314 R C -0.824 175.707 176.300 0.384 0.000 0.969 314 R CA -0.793 55.422 56.100 0.191 0.000 0.918 314 R CB 2.140 32.568 30.300 0.213 0.000 1.175 314 R HN 0.035 nan 8.270 nan 0.000 0.464 315 K N 2.703 123.357 120.400 0.423 0.000 2.443 315 K HA 0.393 4.713 4.320 -0.000 0.000 0.252 315 K C -1.065 175.676 176.600 0.235 0.000 0.933 315 K CA -0.562 55.982 56.287 0.427 0.000 0.792 315 K CB 1.467 34.149 32.500 0.302 0.000 1.185 315 K HN 0.480 nan 8.250 nan 0.000 0.425 316 I N 4.387 125.024 120.570 0.112 0.000 2.312 316 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 316 I C 0.612 176.718 176.117 -0.018 0.000 1.031 316 I CA -0.264 60.997 61.300 -0.065 0.000 1.293 316 I CB 0.910 38.784 38.000 -0.209 0.000 1.403 316 I HN 0.643 nan 8.210 nan 0.000 0.484 317 N N 3.081 121.766 118.700 -0.025 0.000 2.273 317 N HA 0.099 4.839 4.740 -0.000 0.000 0.192 317 N C 0.008 175.496 175.510 -0.036 0.000 1.132 317 N CA 0.240 53.276 53.050 -0.024 0.000 0.887 317 N CB 1.085 39.555 38.487 -0.029 0.000 1.048 317 N HN 0.527 nan 8.380 nan 0.000 0.490 318 S N -0.583 115.092 115.700 -0.042 0.000 2.588 318 S HA 0.449 4.919 4.470 -0.000 0.000 0.269 318 S C -0.757 173.828 174.600 -0.026 0.000 1.157 318 S CA -0.554 57.630 58.200 -0.026 0.000 0.824 318 S CB 1.302 64.484 63.200 -0.029 0.000 1.126 318 S HN 0.203 nan 8.310 nan 0.000 0.464 319 T N 0.451 115.003 114.554 -0.003 0.000 2.923 319 T HA 0.566 4.916 4.350 -0.000 0.000 0.281 319 T C 0.268 174.976 174.700 0.013 0.000 0.995 319 T CA -0.718 61.380 62.100 -0.003 0.000 0.985 319 T CB 0.317 69.188 68.868 0.004 0.000 1.114 319 T HN 0.866 nan 8.240 nan 0.000 0.548 320 N N 0.338 119.045 118.700 0.012 0.000 2.317 320 N HA 0.267 5.007 4.740 -0.000 0.000 0.245 320 N C -2.004 173.528 175.510 0.037 0.000 1.294 320 N CA -1.341 51.726 53.050 0.029 0.000 0.924 320 N CB -0.168 38.338 38.487 0.032 0.000 1.186 320 N HN 0.214 nan 8.380 nan 0.000 0.495 321 P HA -0.154 nan 4.420 nan 0.000 0.217 321 P C 0.202 177.522 177.300 0.034 0.000 1.148 321 P CA 1.198 64.323 63.100 0.042 0.000 0.834 321 P CB 0.024 31.739 31.700 0.026 0.000 0.783 322 C N -3.295 116.018 119.300 0.022 0.000 2.791 322 C HA 0.511 4.970 4.460 -0.000 0.000 0.270 322 C C 1.935 176.928 174.990 0.005 0.000 1.257 322 C CA 0.405 59.429 59.018 0.009 0.000 1.699 322 C CB -1.096 26.645 27.740 0.002 0.000 1.904 322 C HN 0.439 nan 8.230 nan 0.000 0.603 323 G N 1.908 110.714 108.800 0.010 0.000 2.225 323 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 323 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 323 G C 0.987 175.886 174.900 -0.000 0.000 0.988 323 G CA 0.661 45.764 45.100 0.004 0.000 0.625 323 G HN 0.610 nan 8.290 nan 0.000 0.527 324 E N 0.492 120.691 120.200 -0.002 0.000 2.358 324 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 324 E C 0.784 177.383 176.600 -0.002 0.000 1.010 324 E CA 0.622 57.020 56.400 -0.004 0.000 0.856 324 E CB 0.074 29.766 29.700 -0.013 0.000 0.795 324 E HN 0.465 nan 8.360 nan 0.000 0.504 325 I N 1.968 122.534 120.570 -0.008 0.000 2.389 325 I HA 0.367 4.537 4.170 -0.000 0.000 0.288 325 I C 0.396 176.492 176.117 -0.035 0.000 0.999 325 I CA -0.732 60.556 61.300 -0.020 0.000 1.129 325 I CB 1.203 39.186 38.000 -0.029 0.000 1.288 325 I HN -0.093 nan 8.210 nan 0.000 0.444 326 G N 7.058 115.828 108.800 -0.050 0.000 2.339 326 G HA2 0.620 4.580 3.960 -0.000 0.000 0.287 326 G HA3 0.620 4.580 3.960 -0.000 0.000 0.287 326 G C -0.687 174.125 174.900 -0.145 0.000 1.163 326 G CA -0.294 44.757 45.100 -0.082 0.000 0.872 326 G HN 0.479 nan 8.290 nan 0.000 0.464 327 L N 1.770 122.914 121.223 -0.132 0.000 2.381 327 L HA 0.468 4.808 4.340 -0.000 0.000 0.268 327 L C 0.768 177.556 176.870 -0.136 0.000 0.997 327 L CA -0.879 53.874 54.840 -0.145 0.000 0.818 327 L CB 2.424 44.425 42.059 -0.098 0.000 1.310 327 L HN 0.686 nan 8.230 nan 0.000 0.416 328 S N -0.564 115.065 115.700 -0.119 0.000 2.634 328 S HA 0.290 4.760 4.470 -0.000 0.000 0.261 328 S C -0.486 174.107 174.600 -0.012 0.000 1.271 328 S CA -0.989 57.205 58.200 -0.011 0.000 0.985 328 S CB 0.697 63.979 63.200 0.136 0.000 0.968 328 S HN 0.476 nan 8.310 nan 0.000 0.568 329 D N 0.933 121.332 120.400 -0.002 0.000 2.450 329 D HA 0.165 4.805 4.640 -0.000 0.000 0.247 329 D C -0.109 176.192 176.300 0.002 0.000 1.162 329 D CA 0.698 54.627 54.000 -0.117 0.000 0.879 329 D CB -0.558 40.159 40.800 -0.138 0.000 1.163 329 D HN 0.647 nan 8.370 nan 0.000 0.472 330 Y N -1.393 118.914 120.300 0.012 0.000 4.907 330 Y HA -0.279 4.271 4.550 -0.000 0.000 0.246 330 Y C 0.798 176.660 175.900 -0.063 0.000 0.968 330 Y CA 0.689 58.789 58.100 0.001 0.000 1.961 330 Y CB -1.928 36.533 38.460 0.001 0.000 1.487 330 Y HN 0.479 nan 8.280 nan 0.000 0.575 331 E N 0.981 121.194 120.200 0.023 0.000 2.343 331 E HA 0.669 5.019 4.350 -0.000 0.000 0.269 331 E C 0.177 176.657 176.600 -0.200 0.000 1.047 331 E CA 0.346 56.703 56.400 -0.072 0.000 0.874 331 E CB 0.956 30.633 29.700 -0.038 0.000 1.033 331 E HN 0.322 nan 8.360 nan 0.000 0.409 332 A N 2.736 125.343 122.820 -0.355 0.000 2.437 332 A HA 0.692 5.011 4.320 -0.000 0.000 0.292 332 A C -1.468 175.931 177.584 -0.309 0.000 1.173 332 A CA -0.645 51.052 52.037 -0.566 0.000 0.785 332 A CB 1.783 20.118 19.000 -1.108 0.000 1.351 332 A HN 0.682 nan 8.150 nan 0.000 0.431 333 C N 1.560 120.699 119.300 -0.268 0.000 2.811 333 C HA 0.619 5.079 4.460 -0.000 0.000 0.352 333 C C -1.538 173.420 174.990 -0.053 0.000 1.098 333 C CA -0.956 57.997 59.018 -0.107 0.000 1.295 333 C CB 0.860 28.552 27.740 -0.081 0.000 1.758 333 C HN 0.997 nan 8.230 nan 0.000 0.488 334 N N 5.940 124.645 118.700 0.009 0.000 2.443 334 N HA 0.679 5.418 4.740 -0.000 0.000 0.295 334 N C -1.209 174.333 175.510 0.053 0.000 1.076 334 N CA -0.420 52.656 53.050 0.043 0.000 0.919 334 N CB 1.376 39.905 38.487 0.070 0.000 1.176 334 N HN 0.742 nan 8.380 nan 0.000 0.487 335 L N -0.105 121.151 121.223 0.055 0.000 2.323 335 L HA 0.838 5.178 4.340 -0.000 0.000 0.265 335 L C 0.449 177.348 176.870 0.048 0.000 1.012 335 L CA -1.117 53.751 54.840 0.047 0.000 0.820 335 L CB 2.149 44.215 42.059 0.012 0.000 1.334 335 L HN 0.830 nan 8.230 nan 0.000 0.427 336 G N -0.196 108.633 108.800 0.049 0.000 2.673 336 G HA2 0.569 4.529 3.960 -0.000 0.000 0.292 336 G HA3 0.569 4.529 3.960 -0.000 0.000 0.292 336 G C -1.843 173.043 174.900 -0.022 0.000 1.450 336 G CA -0.287 44.755 45.100 -0.096 0.000 0.837 336 G HN 0.409 nan 8.290 nan 0.000 0.505 337 S N -0.366 115.183 115.700 -0.253 0.000 2.538 337 S HA 0.586 5.056 4.470 -0.000 0.000 0.288 337 S C -0.359 174.239 174.600 -0.004 0.000 1.108 337 S CA -0.448 57.706 58.200 -0.077 0.000 0.971 337 S CB 1.389 64.517 63.200 -0.121 0.000 1.041 337 S HN 0.544 nan 8.310 nan 0.000 0.483 338 I N 2.306 122.948 120.570 0.120 0.000 2.365 338 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 338 I C -0.093 176.065 176.117 0.068 0.000 1.004 338 I CA -0.463 60.917 61.300 0.132 0.000 1.311 338 I CB 0.852 38.894 38.000 0.069 0.000 1.401 338 I HN 0.501 nan 8.210 nan 0.000 0.491 339 D N 6.168 126.620 120.400 0.087 0.000 2.435 339 D HA 0.084 4.724 4.640 -0.000 0.000 0.230 339 D C 1.025 177.437 176.300 0.187 0.000 1.215 339 D CA -0.331 53.706 54.000 0.062 0.000 0.947 339 D CB 0.982 41.750 40.800 -0.054 0.000 1.048 339 D HN 0.367 nan 8.370 nan 0.000 0.512 340 V N 2.241 122.264 119.914 0.182 0.000 2.970 340 V HA 0.002 4.122 4.120 -0.000 0.000 0.260 340 V C 2.090 178.378 176.094 0.323 0.000 1.100 340 V CA 1.164 63.624 62.300 0.268 0.000 1.122 340 V CB -0.808 31.141 31.823 0.211 0.000 0.721 340 V HN 0.430 nan 8.190 nan 0.000 0.483 341 A N 0.703 123.644 122.820 0.201 0.000 2.076 341 A HA -0.163 4.156 4.320 -0.000 0.000 0.220 341 A C 2.249 179.952 177.584 0.198 0.000 1.160 341 A CA 1.970 54.102 52.037 0.158 0.000 0.653 341 A CB -0.532 18.505 19.000 0.062 0.000 0.801 341 A HN 0.633 nan 8.150 nan 0.000 0.455 342 K N -1.612 118.869 120.400 0.134 0.000 2.432 342 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 342 K C 0.214 176.860 176.600 0.077 0.000 1.038 342 K CA 0.501 56.794 56.287 0.010 0.000 0.986 342 K CB -0.063 32.115 32.500 -0.538 0.000 0.782 342 K HN 0.518 nan 8.250 nan 0.000 0.485 343 F N -0.164 119.889 119.950 0.172 0.000 2.692 343 F HA 0.074 4.601 4.527 -0.000 0.000 0.303 343 F C 0.492 176.419 175.800 0.211 0.000 1.114 343 F CA -0.689 57.420 58.000 0.182 0.000 1.361 343 F CB -0.287 38.800 39.000 0.146 0.000 1.063 343 F HN -0.030 nan 8.300 nan 0.000 0.550 344 Y N 1.879 122.323 120.300 0.240 0.000 2.402 344 Y HA 0.246 4.796 4.550 -0.000 0.000 0.333 344 Y C -0.228 175.765 175.900 0.155 0.000 1.076 344 Y CA -0.565 57.642 58.100 0.179 0.000 1.299 344 Y CB 0.153 38.690 38.460 0.129 0.000 1.197 344 Y HN 0.102 nan 8.280 nan 0.000 0.517 345 N N 4.865 123.247 118.700 -0.531 0.000 2.533 345 N HA 0.233 4.973 4.740 -0.000 0.000 0.289 345 N C -1.504 173.723 175.510 -0.472 0.000 1.103 345 N CA -0.713 52.090 53.050 -0.411 0.000 0.877 345 N CB 0.400 38.827 38.487 -0.099 0.000 1.419 345 N HN 0.831 nan 8.380 nan 0.000 0.517 346 N N 2.973 121.385 118.700 -0.481 0.000 2.698 346 N HA -0.241 4.498 4.740 -0.000 0.000 0.258 346 N C 0.680 176.127 175.510 -0.105 0.000 0.978 346 N CA 0.847 53.789 53.050 -0.180 0.000 0.777 346 N CB -0.827 37.661 38.487 0.002 0.000 0.907 346 N HN 0.962 nan 8.380 nan 0.000 0.543 347 G N -2.129 106.461 108.800 -0.349 0.000 2.175 347 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 347 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 347 G C -0.114 174.364 174.900 -0.703 0.000 0.982 347 G CA 0.248 45.183 45.100 -0.276 0.000 0.641 347 G HN 0.432 nan 8.290 nan 0.000 0.527 348 F N -1.021 118.834 119.950 -0.159 0.000 2.629 348 F HA 0.671 5.198 4.527 -0.000 0.000 0.316 348 F C 0.250 176.045 175.800 -0.009 0.000 1.081 348 F CA -1.242 56.736 58.000 -0.037 0.000 0.954 348 F CB 1.933 40.912 39.000 -0.035 0.000 1.337 348 F HN -0.006 nan 8.300 nan 0.000 0.474 349 V N 0.970 121.065 119.914 0.302 0.000 2.432 349 V HA 0.146 4.266 4.120 -0.000 0.000 0.275 349 V C -0.369 175.835 176.094 0.183 0.000 1.043 349 V CA -0.611 61.850 62.300 0.269 0.000 0.925 349 V CB 1.105 33.113 31.823 0.308 0.000 0.985 349 V HN 0.616 nan 8.190 nan 0.000 0.466 350 D N 4.522 125.051 120.400 0.215 0.000 2.441 350 D HA 0.098 4.738 4.640 -0.000 0.000 0.243 350 D C 1.052 177.455 176.300 0.172 0.000 1.257 350 D CA 0.220 54.327 54.000 0.177 0.000 1.027 350 D CB 0.531 41.446 40.800 0.191 0.000 1.084 350 D HN 0.510 nan 8.370 nan 0.000 0.514 351 L N 2.375 123.597 121.223 -0.002 0.000 2.275 351 L HA -0.086 4.253 4.340 -0.000 0.000 0.215 351 L C 2.220 179.149 176.870 0.099 0.000 1.119 351 L CA 0.712 55.445 54.840 -0.178 0.000 0.790 351 L CB -0.169 41.601 42.059 -0.481 0.000 0.919 351 L HN 0.464 nan 8.230 nan 0.000 0.443 352 E N 0.899 121.166 120.200 0.112 0.000 2.028 352 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 352 E C 2.276 178.978 176.600 0.170 0.000 0.988 352 E CA 1.196 57.672 56.400 0.125 0.000 0.799 352 E CB -0.008 29.742 29.700 0.083 0.000 0.755 352 E HN 0.386 nan 8.360 nan 0.000 0.447 353 A N 1.222 124.177 122.820 0.226 0.000 1.933 353 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 353 A C 2.157 180.049 177.584 0.514 0.000 1.175 353 A CA 1.299 53.530 52.037 0.324 0.000 0.628 353 A CB -0.675 18.487 19.000 0.269 0.000 0.814 353 A HN 0.408 nan 8.150 nan 0.000 0.444 354 L N -0.033 121.468 121.223 0.463 0.000 2.017 354 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 354 L C 2.513 179.449 176.870 0.110 0.000 1.073 354 L CA 2.667 57.543 54.840 0.059 0.000 0.745 354 L CB -0.890 41.119 42.059 -0.084 0.000 0.894 354 L HN 0.629 nan 8.230 nan 0.000 0.432 355 Q N -0.545 119.355 119.800 0.168 0.000 2.050 355 Q HA -0.248 4.091 4.340 -0.000 0.000 0.202 355 Q C 1.992 177.955 176.000 -0.063 0.000 0.980 355 Q CA 2.106 57.828 55.803 -0.134 0.000 0.840 355 Q CB -0.142 28.388 28.738 -0.346 0.000 0.898 355 Q HN 0.674 nan 8.270 nan 0.000 0.424 356 E N 0.217 120.442 120.200 0.041 0.000 2.118 356 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 356 E C 2.022 178.682 176.600 0.099 0.000 0.992 356 E CA 1.110 57.556 56.400 0.077 0.000 0.804 356 E CB -0.108 29.658 29.700 0.111 0.000 0.741 356 E HN 0.275 nan 8.360 nan 0.000 0.458 357 L N 0.520 121.818 121.223 0.126 0.000 2.156 357 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 357 L C 2.127 178.992 176.870 -0.010 0.000 1.095 357 L CA 1.066 55.970 54.840 0.107 0.000 0.770 357 L CB -0.019 42.174 42.059 0.224 0.000 0.914 357 L HN -0.079 nan 8.230 nan 0.000 0.439 358 V N -0.538 119.356 119.914 -0.034 0.000 2.343 358 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 358 V C 2.528 178.594 176.094 -0.045 0.000 1.051 358 V CA 1.879 64.141 62.300 -0.064 0.000 1.036 358 V CB -0.614 31.164 31.823 -0.075 0.000 0.654 358 V HN 0.532 nan 8.190 nan 0.000 0.451 359 Q N -0.425 119.373 119.800 -0.004 0.000 2.030 359 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 359 Q C 2.237 178.278 176.000 0.067 0.000 0.986 359 Q CA 2.170 57.998 55.803 0.041 0.000 0.843 359 Q CB -0.280 28.505 28.738 0.078 0.000 0.904 359 Q HN 0.587 nan 8.270 nan 0.000 0.420 360 I N 0.158 120.790 120.570 0.104 0.000 2.226 360 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 360 I C 2.332 178.451 176.117 0.003 0.000 1.100 360 I CA 0.959 62.375 61.300 0.193 0.000 1.374 360 I CB -0.332 37.822 38.000 0.257 0.000 1.057 360 I HN 0.187 nan 8.210 nan 0.000 0.413 361 A N 0.233 122.897 122.820 -0.260 0.000 1.898 361 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 361 A C 2.421 179.830 177.584 -0.292 0.000 1.181 361 A CA 1.426 53.063 52.037 -0.667 0.000 0.620 361 A CB -0.900 17.614 19.000 -0.809 0.000 0.819 361 A HN 0.221 nan 8.150 nan 0.000 0.442 362 V N -0.031 119.802 119.914 -0.136 0.000 2.407 362 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 362 V C 2.646 178.709 176.094 -0.051 0.000 1.055 362 V CA 2.316 64.576 62.300 -0.066 0.000 1.049 362 V CB -0.751 31.041 31.823 -0.052 0.000 0.662 362 V HN 0.652 nan 8.190 nan 0.000 0.455 363 R N -0.973 119.499 120.500 -0.048 0.000 2.073 363 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 363 R C 2.272 178.540 176.300 -0.053 0.000 1.120 363 R CA 1.492 57.547 56.100 -0.076 0.000 0.967 363 R CB -0.329 29.869 30.300 -0.170 0.000 0.862 363 R HN 0.461 nan 8.270 nan 0.000 0.436 364 F N 1.462 121.250 119.950 -0.269 0.000 2.069 364 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 364 F C 1.752 177.391 175.800 -0.269 0.000 1.113 364 F CA 1.615 59.274 58.000 -0.567 0.000 1.214 364 F CB -0.403 38.144 39.000 -0.754 0.000 0.978 364 F HN -0.026 nan 8.300 nan 0.000 0.474 365 L N -0.005 121.356 121.223 0.231 0.000 2.017 365 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 365 L C 2.212 179.097 176.870 0.026 0.000 1.073 365 L CA 2.006 56.961 54.840 0.191 0.000 0.745 365 L CB -0.886 41.278 42.059 0.175 0.000 0.894 365 L HN 0.187 nan 8.230 nan 0.000 0.432 366 D N -0.171 120.219 120.400 -0.018 0.000 2.178 366 D HA -0.183 4.456 4.640 -0.000 0.000 0.201 366 D C 1.853 178.117 176.300 -0.061 0.000 0.980 366 D CA 0.998 54.976 54.000 -0.037 0.000 0.842 366 D CB 0.117 40.886 40.800 -0.051 0.000 0.948 366 D HN 0.155 nan 8.370 nan 0.000 0.472 367 N N -0.517 118.112 118.700 -0.119 0.000 2.244 367 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 367 N C 1.730 177.157 175.510 -0.140 0.000 1.016 367 N CA 0.357 53.325 53.050 -0.136 0.000 0.866 367 N CB -0.212 38.163 38.487 -0.188 0.000 0.980 367 N HN 0.115 nan 8.380 nan 0.000 0.430 368 V N 1.283 121.088 119.914 -0.182 0.000 2.407 368 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 368 V C 2.044 178.115 176.094 -0.038 0.000 1.055 368 V CA 1.111 63.331 62.300 -0.132 0.000 1.049 368 V CB -0.402 31.374 31.823 -0.079 0.000 0.662 368 V HN 0.285 nan 8.190 nan 0.000 0.455 369 I N 0.057 120.627 120.570 0.001 0.000 2.208 369 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 369 I C 2.136 178.289 176.117 0.060 0.000 1.097 369 I CA 1.618 62.953 61.300 0.058 0.000 1.363 369 I CB -0.484 37.565 38.000 0.082 0.000 1.051 369 I HN 0.332 nan 8.210 nan 0.000 0.413 370 D N 0.296 120.726 120.400 0.050 0.000 2.224 370 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 370 D C 1.963 178.330 176.300 0.112 0.000 0.965 370 D CA 1.259 55.316 54.000 0.095 0.000 0.852 370 D CB 0.091 40.945 40.800 0.089 0.000 0.947 370 D HN 0.377 nan 8.370 nan 0.000 0.494 371 V N -1.973 117.975 119.914 0.056 0.000 3.621 371 V HA 0.190 4.309 4.120 -0.000 0.000 0.285 371 V C 0.658 176.770 176.094 0.030 0.000 1.346 371 V CA -0.596 61.719 62.300 0.025 0.000 1.104 371 V CB -0.353 31.519 31.823 0.082 0.000 0.913 371 V HN -0.123 nan 8.190 nan 0.000 0.432 372 N N 1.350 120.034 118.700 -0.027 0.000 2.530 372 N HA 0.373 5.113 4.740 -0.000 0.000 0.273 372 N C -0.857 174.508 175.510 -0.241 0.000 1.173 372 N CA 0.143 53.096 53.050 -0.162 0.000 0.967 372 N CB 1.787 40.075 38.487 -0.332 0.000 1.109 372 N HN 0.212 nan 8.380 nan 0.000 0.453 373 V N 4.428 124.182 119.914 -0.266 0.000 2.444 373 V HA 0.469 4.589 4.120 -0.000 0.000 0.294 373 V C -0.531 175.411 176.094 -0.253 0.000 1.022 373 V CA -0.672 61.520 62.300 -0.179 0.000 0.850 373 V CB 0.641 32.447 31.823 -0.029 0.000 0.992 373 V HN 0.431 nan 8.190 nan 0.000 0.426 374 F N 5.149 125.180 119.950 0.135 0.000 2.470 374 F HA 0.550 5.076 4.527 -0.000 0.000 0.329 374 F C -1.170 174.713 175.800 0.139 0.000 1.072 374 F CA -1.989 56.116 58.000 0.175 0.000 0.989 374 F CB 1.735 40.857 39.000 0.203 0.000 1.193 374 F HN 0.338 nan 8.300 nan 0.000 0.481 375 P HA 0.171 nan 4.420 nan 0.000 0.249 375 P C -0.352 177.052 177.300 0.172 0.000 1.229 375 P CA 0.958 64.181 63.100 0.206 0.000 0.788 375 P CB 0.477 32.264 31.700 0.145 0.000 1.072 376 I N -0.200 120.493 120.570 0.205 0.000 2.571 376 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 376 I C 0.605 176.784 176.117 0.104 0.000 1.115 376 I CA -0.690 60.690 61.300 0.134 0.000 1.045 376 I CB 2.327 40.416 38.000 0.147 0.000 1.238 376 I HN -0.402 nan 8.210 nan 0.000 0.424 377 D N 3.826 124.255 120.400 0.050 0.000 2.123 377 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 377 D C 1.701 177.981 176.300 -0.032 0.000 0.992 377 D CA 1.587 55.602 54.000 0.024 0.000 0.833 377 D CB 0.209 41.009 40.800 -0.000 0.000 0.954 377 D HN 0.481 nan 8.370 nan 0.000 0.455 378 K N 0.079 120.407 120.400 -0.120 0.000 2.147 378 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 378 K C 2.231 178.761 176.600 -0.118 0.000 1.049 378 K CA 0.549 56.693 56.287 -0.240 0.000 0.936 378 K CB 0.004 32.088 32.500 -0.693 0.000 0.722 378 K HN 0.228 nan 8.250 nan 0.000 0.446 379 I N 0.485 121.028 120.570 -0.044 0.000 2.286 379 I HA -0.219 3.950 4.170 -0.000 0.000 0.245 379 I C 2.114 178.053 176.117 -0.298 0.000 1.104 379 I CA 1.083 62.304 61.300 -0.131 0.000 1.397 379 I CB -0.509 37.415 38.000 -0.127 0.000 1.072 379 I HN 0.099 nan 8.210 nan 0.000 0.417 380 T N 0.832 115.320 114.554 -0.110 0.000 2.699 380 T HA -0.276 4.073 4.350 -0.000 0.000 0.268 380 T C 1.872 176.593 174.700 0.035 0.000 1.036 380 T CA 2.006 64.151 62.100 0.074 0.000 1.147 380 T CB -0.223 68.766 68.868 0.202 0.000 0.862 380 T HN 0.293 nan 8.240 nan 0.000 0.446 381 K N 1.307 121.709 120.400 0.003 0.000 2.007 381 K HA 0.134 4.454 4.320 -0.000 0.000 0.206 381 K C 2.493 179.103 176.600 0.017 0.000 1.047 381 K CA 1.217 57.512 56.287 0.013 0.000 0.937 381 K CB -0.586 31.909 32.500 -0.009 0.000 0.718 381 K HN 0.187 nan 8.250 nan 0.000 0.438 382 A N 0.643 123.463 122.820 -0.001 0.000 1.927 382 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 382 A C 2.293 179.882 177.584 0.008 0.000 1.185 382 A CA 2.137 54.188 52.037 0.023 0.000 0.639 382 A CB -0.923 18.102 19.000 0.041 0.000 0.820 382 A HN 0.199 nan 8.150 nan 0.000 0.451 383 V N -0.338 119.542 119.914 -0.056 0.000 2.453 383 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 383 V C 2.391 178.524 176.094 0.064 0.000 1.048 383 V CA 2.170 64.454 62.300 -0.026 0.000 1.049 383 V CB -0.623 31.149 31.823 -0.085 0.000 0.672 383 V HN 0.528 nan 8.190 nan 0.000 0.457 384 K N -0.058 120.392 120.400 0.082 0.000 2.097 384 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 384 K C 2.168 178.839 176.600 0.117 0.000 1.049 384 K CA 1.589 57.938 56.287 0.103 0.000 0.933 384 K CB -0.137 32.419 32.500 0.093 0.000 0.717 384 K HN 0.536 nan 8.250 nan 0.000 0.442 385 E N -0.322 119.947 120.200 0.115 0.000 2.150 385 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 385 E C 1.559 178.324 176.600 0.276 0.000 0.985 385 E CA 0.978 57.471 56.400 0.156 0.000 0.814 385 E CB 0.247 30.021 29.700 0.124 0.000 0.752 385 E HN 0.109 nan 8.360 nan 0.000 0.466 386 S N -1.023 114.801 115.700 0.206 0.000 2.613 386 S HA 0.124 4.594 4.470 -0.000 0.000 0.235 386 S C 0.087 174.655 174.600 -0.055 0.000 1.073 386 S CA -0.364 57.926 58.200 0.149 0.000 0.899 386 S CB 0.521 63.787 63.200 0.109 0.000 0.818 386 S HN 0.139 nan 8.310 nan 0.000 0.484 387 R N 1.555 122.065 120.500 0.016 0.000 3.333 387 R HA -0.153 4.187 4.340 -0.000 0.000 0.256 387 R C -0.151 176.105 176.300 -0.073 0.000 1.010 387 R CA 0.266 56.361 56.100 -0.009 0.000 0.680 387 R CB -1.545 28.770 30.300 0.025 0.000 1.102 387 R HN 0.330 nan 8.270 nan 0.000 0.440 388 R N 1.534 121.997 120.500 -0.062 0.000 2.401 388 R HA 0.229 4.569 4.340 -0.000 0.000 0.299 388 R C 0.025 176.306 176.300 -0.031 0.000 1.064 388 R CA 0.095 56.160 56.100 -0.058 0.000 1.000 388 R CB 0.463 30.742 30.300 -0.035 0.000 0.973 388 R HN 0.199 nan 8.270 nan 0.000 0.438 389 L N 2.257 123.463 121.223 -0.029 0.000 2.332 389 L HA 0.565 4.905 4.340 -0.000 0.000 0.269 389 L C 0.843 177.721 176.870 0.013 0.000 1.016 389 L CA -1.017 53.822 54.840 -0.001 0.000 0.809 389 L CB 1.947 44.005 42.059 -0.003 0.000 1.280 389 L HN 0.782 nan 8.230 nan 0.000 0.447 390 G N 1.562 110.380 108.800 0.030 0.000 4.465 390 G HA2 0.418 4.377 3.960 -0.000 0.000 0.330 390 G HA3 0.418 4.377 3.960 -0.000 0.000 0.330 390 G C -1.017 173.915 174.900 0.054 0.000 1.475 390 G CA -0.244 44.877 45.100 0.035 0.000 0.955 390 G HN 0.275 nan 8.290 nan 0.000 0.516 391 L N 2.268 123.528 121.223 0.062 0.000 2.410 391 L HA 0.703 5.043 4.340 -0.000 0.000 0.273 391 L C 0.669 177.573 176.870 0.057 0.000 1.152 391 L CA 0.505 55.396 54.840 0.085 0.000 0.855 391 L CB 0.806 42.906 42.059 0.068 0.000 1.129 391 L HN 0.307 nan 8.230 nan 0.000 0.463 392 G N 5.011 113.844 108.800 0.055 0.000 2.975 392 G HA2 0.658 4.618 3.960 -0.000 0.000 0.291 392 G HA3 0.658 4.618 3.960 -0.000 0.000 0.291 392 G C -1.253 173.655 174.900 0.013 0.000 1.334 392 G CA -0.320 44.786 45.100 0.011 0.000 0.843 392 G HN 0.899 nan 8.290 nan 0.000 0.548 393 I N -2.269 118.286 120.570 -0.025 0.000 2.934 393 I HA 0.847 5.016 4.170 -0.000 0.000 0.306 393 I C -0.329 175.773 176.117 -0.026 0.000 1.110 393 I CA -1.321 59.977 61.300 -0.002 0.000 1.019 393 I CB 2.461 40.484 38.000 0.039 0.000 1.227 393 I HN 0.743 nan 8.210 nan 0.000 0.434 394 M N 2.013 121.618 119.600 0.008 0.000 2.719 394 M HA 0.828 5.308 4.480 -0.000 0.000 0.291 394 M C 0.543 176.883 176.300 0.068 0.000 1.264 394 M CA -0.184 55.121 55.300 0.009 0.000 0.811 394 M CB 1.777 34.352 32.600 -0.042 0.000 1.756 394 M HN 1.021 nan 8.290 nan 0.000 0.464 395 G N 0.255 109.094 108.800 0.064 0.000 2.179 395 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 395 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 395 G C 0.192 175.164 174.900 0.119 0.000 0.977 395 G CA 0.795 45.934 45.100 0.065 0.000 0.641 395 G HN 0.918 nan 8.290 nan 0.000 0.533 396 F N 1.794 121.770 119.950 0.042 0.000 2.171 396 F HA 0.212 4.739 4.527 -0.000 0.000 0.300 396 F C 2.536 178.369 175.800 0.056 0.000 1.090 396 F CA 2.224 60.290 58.000 0.109 0.000 1.293 396 F CB -0.427 38.673 39.000 0.167 0.000 1.013 396 F HN 0.330 nan 8.300 nan 0.000 0.486 397 A N 0.119 122.887 122.820 -0.087 0.000 1.877 397 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 397 A C 1.976 179.175 177.584 -0.642 0.000 1.186 397 A CA 1.979 53.821 52.037 -0.326 0.000 0.620 397 A CB -1.026 17.843 19.000 -0.218 0.000 0.822 397 A HN 0.428 nan 8.150 nan 0.000 0.443 398 D N -0.529 119.618 120.400 -0.422 0.000 2.178 398 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 398 D C 1.789 177.953 176.300 -0.226 0.000 0.974 398 D CA 0.929 54.734 54.000 -0.324 0.000 0.841 398 D CB -0.341 40.406 40.800 -0.090 0.000 0.953 398 D HN 0.327 nan 8.370 nan 0.000 0.478 399 L N 0.701 121.807 121.223 -0.195 0.000 2.042 399 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 399 L C 2.123 178.795 176.870 -0.330 0.000 1.076 399 L CA 1.415 56.158 54.840 -0.160 0.000 0.749 399 L CB -0.586 41.469 42.059 -0.006 0.000 0.893 399 L HN 0.010 nan 8.230 nan 0.000 0.432 400 L N -2.172 118.756 121.223 -0.491 0.000 2.017 400 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 400 L C 2.552 179.236 176.870 -0.310 0.000 1.073 400 L CA 1.077 55.625 54.840 -0.487 0.000 0.745 400 L CB -0.986 40.766 42.059 -0.513 0.000 0.894 400 L HN 0.223 nan 8.230 nan 0.000 0.432 401 Y N 1.068 121.093 120.300 -0.459 0.000 2.062 401 Y HA -0.342 4.207 4.550 -0.000 0.000 0.276 401 Y C 2.647 178.250 175.900 -0.495 0.000 1.189 401 Y CA 1.250 58.980 58.100 -0.616 0.000 1.130 401 Y CB -0.983 37.164 38.460 -0.522 0.000 0.959 401 Y HN 0.174 nan 8.280 nan 0.000 0.499 402 K N -0.156 120.076 120.400 -0.280 0.000 2.057 402 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 402 K C 2.008 178.286 176.600 -0.537 0.000 1.049 402 K CA 1.414 57.359 56.287 -0.571 0.000 0.931 402 K CB -0.511 31.403 32.500 -0.976 0.000 0.714 402 K HN 0.261 nan 8.250 nan 0.000 0.440 403 L N 1.190 122.190 121.223 -0.371 0.000 2.610 403 L HA -0.040 4.299 4.340 -0.000 0.000 0.232 403 L C -0.079 176.646 176.870 -0.241 0.000 1.149 403 L CA 0.382 55.079 54.840 -0.238 0.000 0.872 403 L CB -0.263 41.571 42.059 -0.375 0.000 0.992 403 L HN 0.244 nan 8.230 nan 0.000 0.447 404 E N 0.086 120.136 120.200 -0.250 0.000 2.513 404 E HA -0.220 4.130 4.350 -0.000 0.000 0.257 404 E C -0.170 176.308 176.600 -0.203 0.000 1.098 404 E CA 0.624 56.897 56.400 -0.211 0.000 0.752 404 E CB -1.981 27.637 29.700 -0.136 0.000 1.324 404 E HN 0.478 nan 8.360 nan 0.000 0.403 405 I N 1.205 121.630 120.570 -0.243 0.000 2.362 405 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 405 I C -2.169 173.855 176.117 -0.155 0.000 0.994 405 I CA -2.312 58.859 61.300 -0.215 0.000 1.158 405 I CB 1.425 39.240 38.000 -0.308 0.000 1.315 405 I HN -0.257 nan 8.210 nan 0.000 0.451 406 P HA -0.009 nan 4.420 nan 0.000 0.271 406 P C 0.123 177.436 177.300 0.022 0.000 1.220 406 P CA 0.001 63.087 63.100 -0.023 0.000 0.768 406 P CB 0.461 32.154 31.700 -0.011 0.000 0.848 407 Y N 4.203 124.472 120.300 -0.052 0.000 2.165 407 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 407 Y C 1.265 177.166 175.900 0.002 0.000 1.155 407 Y CA 1.755 59.842 58.100 -0.021 0.000 1.164 407 Y CB -0.235 38.214 38.460 -0.020 0.000 0.978 407 Y HN 0.340 nan 8.280 nan 0.000 0.513 408 N N 1.001 119.835 118.700 0.222 0.000 3.245 408 N HA 0.103 4.843 4.740 -0.000 0.000 0.296 408 N C -1.219 174.326 175.510 0.059 0.000 1.254 408 N CA 0.557 53.684 53.050 0.127 0.000 1.190 408 N CB -0.108 38.425 38.487 0.075 0.000 1.460 408 N HN 0.244 nan 8.380 nan 0.000 0.538 409 S N -0.943 114.779 115.700 0.037 0.000 2.537 409 S HA 0.174 4.644 4.470 -0.000 0.000 0.270 409 S C 0.496 175.103 174.600 0.012 0.000 1.142 409 S CA -0.748 57.461 58.200 0.015 0.000 0.870 409 S CB 2.067 65.265 63.200 -0.003 0.000 1.112 409 S HN 0.143 nan 8.310 nan 0.000 0.466 410 Q N 1.402 121.210 119.800 0.013 0.000 2.181 410 Q HA -0.124 4.216 4.340 -0.000 0.000 0.205 410 Q C 1.726 177.734 176.000 0.013 0.000 0.980 410 Q CA 2.381 58.192 55.803 0.013 0.000 0.862 410 Q CB -0.334 28.412 28.738 0.013 0.000 0.905 410 Q HN 0.903 nan 8.270 nan 0.000 0.429 411 E N -0.811 119.393 120.200 0.007 0.000 2.049 411 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 411 E C 1.738 178.359 176.600 0.035 0.000 1.007 411 E CA 1.377 57.783 56.400 0.009 0.000 0.809 411 E CB -0.322 29.366 29.700 -0.021 0.000 0.749 411 E HN 0.463 nan 8.360 nan 0.000 0.450 412 A N 1.131 123.954 122.820 0.005 0.000 1.908 412 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 412 A C 2.186 179.838 177.584 0.114 0.000 1.181 412 A CA 1.669 53.723 52.037 0.027 0.000 0.627 412 A CB -0.481 18.467 19.000 -0.086 0.000 0.818 412 A HN 0.234 nan 8.150 nan 0.000 0.445 413 R N -0.609 119.910 120.500 0.032 0.000 2.090 413 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 413 R C 1.535 177.813 176.300 -0.037 0.000 1.110 413 R CA 1.254 57.344 56.100 -0.016 0.000 0.973 413 R CB -0.402 29.892 30.300 -0.010 0.000 0.869 413 R HN 0.426 nan 8.270 nan 0.000 0.440 414 D N 0.579 120.985 120.400 0.010 0.000 2.097 414 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 414 D C 1.495 177.798 176.300 0.005 0.000 0.989 414 D CA 1.019 55.021 54.000 0.004 0.000 0.827 414 D CB -0.275 40.540 40.800 0.026 0.000 0.966 414 D HN 0.060 nan 8.370 nan 0.000 0.456 415 F N 1.537 121.452 119.950 -0.059 0.000 2.095 415 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 415 F C 2.170 177.930 175.800 -0.065 0.000 1.104 415 F CA 1.767 59.746 58.000 -0.036 0.000 1.232 415 F CB -0.408 38.589 39.000 -0.006 0.000 0.987 415 F HN -0.046 nan 8.300 nan 0.000 0.475 416 A N 0.486 123.245 122.820 -0.101 0.000 1.908 416 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 416 A C 2.419 179.522 177.584 -0.802 0.000 1.181 416 A CA 2.034 53.720 52.037 -0.584 0.000 0.627 416 A CB -1.637 16.857 19.000 -0.844 0.000 0.818 416 A HN 0.553 nan 8.150 nan 0.000 0.445 417 A N -0.156 122.361 122.820 -0.505 0.000 1.898 417 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 417 A C 2.010 179.302 177.584 -0.486 0.000 1.181 417 A CA 1.670 53.483 52.037 -0.374 0.000 0.620 417 A CB -0.592 18.340 19.000 -0.113 0.000 0.819 417 A HN 0.542 nan 8.150 nan 0.000 0.442 418 N N -0.236 118.241 118.700 -0.371 0.000 2.120 418 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 418 N C 1.696 177.042 175.510 -0.274 0.000 1.024 418 N CA 1.559 54.451 53.050 -0.264 0.000 0.852 418 N CB -0.455 37.929 38.487 -0.171 0.000 1.003 418 N HN 0.433 nan 8.380 nan 0.000 0.424 419 L N 0.755 121.695 121.223 -0.473 0.000 1.994 419 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 419 L C 2.325 179.058 176.870 -0.228 0.000 1.071 419 L CA 1.586 56.188 54.840 -0.398 0.000 0.745 419 L CB -0.732 40.986 42.059 -0.568 0.000 0.892 419 L HN 0.039 nan 8.230 nan 0.000 0.431 420 M N -0.218 119.188 119.600 -0.324 0.000 2.080 420 M HA -0.122 4.358 4.480 -0.000 0.000 0.260 420 M C 2.236 178.346 176.300 -0.316 0.000 1.068 420 M CA 2.081 57.245 55.300 -0.226 0.000 1.109 420 M CB -0.786 31.705 32.600 -0.181 0.000 1.342 420 M HN 0.372 nan 8.290 nan 0.000 0.405 421 A N -0.633 121.806 122.820 -0.635 0.000 1.917 421 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 421 A C 2.169 179.470 177.584 -0.471 0.000 1.182 421 A CA 2.095 53.645 52.037 -0.811 0.000 0.633 421 A CB -1.452 16.855 19.000 -1.157 0.000 0.819 421 A HN 0.653 nan 8.150 nan 0.000 0.448 422 F N 0.541 120.122 119.950 -0.615 0.000 2.102 422 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 422 F C 1.977 177.600 175.800 -0.295 0.000 1.105 422 F CA 1.834 59.419 58.000 -0.692 0.000 1.239 422 F CB -0.204 38.489 39.000 -0.511 0.000 0.991 422 F HN 0.189 nan 8.300 nan 0.000 0.474 423 I N 0.333 120.824 120.570 -0.133 0.000 2.226 423 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 423 I C 2.747 178.782 176.117 -0.135 0.000 1.100 423 I CA 1.118 62.341 61.300 -0.128 0.000 1.374 423 I CB -1.044 36.947 38.000 -0.016 0.000 1.057 423 I HN 0.277 nan 8.210 nan 0.000 0.413 424 A N 1.026 123.771 122.820 -0.125 0.000 1.873 424 A HA -0.267 4.052 4.320 -0.000 0.000 0.218 424 A C 2.280 179.869 177.584 0.009 0.000 1.193 424 A CA 1.884 53.920 52.037 -0.002 0.000 0.629 424 A CB -0.998 17.924 19.000 -0.129 0.000 0.826 424 A HN 0.391 nan 8.150 nan 0.000 0.447 425 L N -0.674 120.413 121.223 -0.228 0.000 1.990 425 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 425 L C 2.361 178.991 176.870 -0.400 0.000 1.072 425 L CA 2.541 57.160 54.840 -0.368 0.000 0.755 425 L CB -0.777 40.868 42.059 -0.690 0.000 0.889 425 L HN 0.560 nan 8.230 nan 0.000 0.432 426 H N -0.921 117.972 119.070 -0.295 0.000 2.482 426 H HA 0.177 4.733 4.556 -0.000 0.000 0.286 426 H C 2.110 177.365 175.328 -0.121 0.000 1.017 426 H CA 0.927 56.821 56.048 -0.257 0.000 1.322 426 H CB -0.189 29.299 29.762 -0.458 0.000 1.426 426 H HN 0.527 nan 8.280 nan 0.000 0.546 427 A N 1.182 124.004 122.820 0.004 0.000 1.858 427 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 427 A C 2.065 179.652 177.584 0.005 0.000 1.190 427 A CA 1.326 53.367 52.037 0.006 0.000 0.617 427 A CB -0.724 18.286 19.000 0.016 0.000 0.827 427 A HN 0.447 nan 8.150 nan 0.000 0.443 428 H N -1.064 118.011 119.070 0.009 0.000 2.428 428 H HA -0.010 4.545 4.556 -0.000 0.000 0.296 428 H C 2.413 177.765 175.328 0.040 0.000 1.062 428 H CA 1.344 57.410 56.048 0.029 0.000 1.350 428 H CB -0.010 29.782 29.762 0.050 0.000 1.403 428 H HN 0.430 nan 8.280 nan 0.000 0.533 429 R N 0.053 120.622 120.500 0.115 0.000 2.083 429 R HA -0.111 4.229 4.340 -0.000 0.000 0.237 429 R C 2.302 178.693 176.300 0.150 0.000 1.137 429 R CA 1.908 58.067 56.100 0.098 0.000 0.951 429 R CB -0.223 30.095 30.300 0.031 0.000 0.851 429 R HN 0.223 nan 8.270 nan 0.000 0.434 430 T N -0.156 114.454 114.554 0.092 0.000 2.788 430 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 430 T C 1.856 176.584 174.700 0.048 0.000 1.044 430 T CA 1.528 63.668 62.100 0.067 0.000 1.139 430 T CB -0.195 68.691 68.868 0.029 0.000 0.867 430 T HN 0.196 nan 8.240 nan 0.000 0.454 431 S N -0.093 115.626 115.700 0.032 0.000 2.383 431 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 431 S C 1.760 176.400 174.600 0.067 0.000 1.026 431 S CA 0.859 59.061 58.200 0.003 0.000 0.981 431 S CB -0.480 62.670 63.200 -0.084 0.000 0.818 431 S HN 0.605 nan 8.310 nan 0.000 0.472 432 Y N 2.146 122.459 120.300 0.023 0.000 2.030 432 Y HA -0.203 4.347 4.550 -0.000 0.000 0.274 432 Y C 2.184 178.098 175.900 0.022 0.000 1.153 432 Y CA 2.434 60.574 58.100 0.067 0.000 1.115 432 Y CB -0.724 37.779 38.460 0.073 0.000 0.969 432 Y HN 0.336 nan 8.280 nan 0.000 0.488 433 E N -0.480 119.735 120.200 0.026 0.000 2.097 433 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 433 E C 1.990 178.485 176.600 -0.176 0.000 1.000 433 E CA 1.422 57.760 56.400 -0.102 0.000 0.804 433 E CB -0.273 29.451 29.700 0.041 0.000 0.740 433 E HN 0.345 nan 8.360 nan 0.000 0.454 434 L N -0.052 121.108 121.223 -0.105 0.000 2.093 434 L HA -0.052 4.287 4.340 -0.000 0.000 0.208 434 L C 2.396 179.199 176.870 -0.111 0.000 1.085 434 L CA 1.800 56.574 54.840 -0.109 0.000 0.755 434 L CB -1.357 40.657 42.059 -0.075 0.000 0.904 434 L HN 0.155 nan 8.230 nan 0.000 0.435 435 G N -1.045 107.704 108.800 -0.085 0.000 2.418 435 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 435 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 435 G C 1.836 176.699 174.900 -0.061 0.000 1.158 435 G CA 0.784 45.882 45.100 -0.002 0.000 0.771 435 G HN 0.320 nan 8.290 nan 0.000 0.545 436 K N 0.192 120.345 120.400 -0.412 0.000 2.026 436 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 436 K C 2.366 178.722 176.600 -0.406 0.000 1.048 436 K CA 1.540 57.329 56.287 -0.829 0.000 0.929 436 K CB -0.167 31.614 32.500 -1.198 0.000 0.713 436 K HN 0.417 nan 8.250 nan 0.000 0.439 437 E N -0.063 119.959 120.200 -0.297 0.000 2.107 437 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 437 E C 1.032 177.518 176.600 -0.190 0.000 0.982 437 E CA 1.119 57.383 56.400 -0.227 0.000 0.809 437 E CB 0.345 29.923 29.700 -0.203 0.000 0.756 437 E HN 0.162 nan 8.360 nan 0.000 0.459 438 K N -1.283 119.029 120.400 -0.146 0.000 2.491 438 K HA 0.239 4.559 4.320 -0.000 0.000 0.211 438 K C -0.297 176.270 176.600 -0.055 0.000 1.210 438 K CA 0.375 56.595 56.287 -0.112 0.000 1.003 438 K CB 2.057 34.490 32.500 -0.113 0.000 1.009 438 K HN 0.168 nan 8.250 nan 0.000 0.577 439 G N 1.888 110.672 108.800 -0.026 0.000 2.770 439 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 439 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 439 G C -1.214 173.714 174.900 0.046 0.000 1.180 439 G CA -1.085 44.027 45.100 0.020 0.000 0.767 439 G HN 0.027 nan 8.290 nan 0.000 0.646 440 N N -0.208 118.525 118.700 0.055 0.000 2.399 440 N HA 0.538 5.278 4.740 -0.000 0.000 0.250 440 N C 0.774 176.325 175.510 0.069 0.000 1.272 440 N CA -0.056 53.027 53.050 0.055 0.000 0.928 440 N CB 0.228 38.682 38.487 -0.055 0.000 1.158 440 N HN 0.716 nan 8.380 nan 0.000 0.463 441 F N -0.390 119.569 119.950 0.016 0.000 2.538 441 F HA 0.295 4.822 4.527 -0.000 0.000 0.371 441 F C -1.590 174.223 175.800 0.022 0.000 1.087 441 F CA -1.824 56.190 58.000 0.024 0.000 1.250 441 F CB -0.394 38.630 39.000 0.039 0.000 1.110 441 F HN 0.378 nan 8.300 nan 0.000 0.570 442 P HA -0.228 nan 4.420 nan 0.000 0.218 442 P C 1.032 178.213 177.300 -0.198 0.000 1.150 442 P CA 1.783 64.839 63.100 -0.073 0.000 0.841 442 P CB 0.017 31.729 31.700 0.020 0.000 0.784 443 L N -2.013 119.057 121.223 -0.255 0.000 2.700 443 L HA 0.142 4.482 4.340 -0.000 0.000 0.234 443 L C 2.032 178.597 176.870 -0.509 0.000 1.156 443 L CA -0.245 54.474 54.840 -0.202 0.000 0.946 443 L CB -0.370 41.765 42.059 0.126 0.000 1.216 443 L HN 0.010 nan 8.230 nan 0.000 0.493 444 L N 0.482 120.977 121.223 -1.214 0.000 2.010 444 L HA -0.316 4.024 4.340 -0.000 0.000 0.219 444 L C 2.275 178.953 176.870 -0.320 0.000 1.077 444 L CA 2.009 56.273 54.840 -0.959 0.000 0.773 444 L CB 0.133 41.741 42.059 -0.752 0.000 0.892 444 L HN 0.371 nan 8.230 nan 0.000 0.436 445 E N 0.167 120.211 120.200 -0.260 0.000 2.130 445 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 445 E C 1.771 178.313 176.600 -0.098 0.000 0.998 445 E CA 2.027 58.337 56.400 -0.150 0.000 0.806 445 E CB -0.343 29.274 29.700 -0.140 0.000 0.738 445 E HN 0.827 nan 8.360 nan 0.000 0.459 446 I N -1.808 118.708 120.570 -0.089 0.000 3.883 446 I HA 0.167 4.337 4.170 -0.000 0.000 0.326 446 I C 0.655 176.817 176.117 0.074 0.000 1.283 446 I CA -0.395 60.889 61.300 -0.026 0.000 1.161 446 I CB 0.193 38.118 38.000 -0.125 0.000 1.012 446 I HN -0.101 nan 8.210 nan 0.000 0.421 447 S N 0.888 116.594 115.700 0.009 0.000 2.632 447 S HA 0.375 4.844 4.470 -0.000 0.000 0.271 447 S C 0.941 175.444 174.600 -0.163 0.000 1.260 447 S CA -0.617 57.564 58.200 -0.033 0.000 1.010 447 S CB 1.601 64.920 63.200 0.198 0.000 0.965 447 S HN 0.371 nan 8.310 nan 0.000 0.534 448 R N 0.209 120.430 120.500 -0.465 0.000 2.241 448 R HA -0.032 4.308 4.340 -0.000 0.000 0.224 448 R C 1.092 177.118 176.300 -0.457 0.000 1.101 448 R CA 1.315 57.034 56.100 -0.634 0.000 0.995 448 R CB -0.536 29.024 30.300 -1.234 0.000 0.870 448 R HN 0.748 nan 8.270 nan 0.000 0.463 449 Y N -0.155 120.054 120.300 -0.150 0.000 2.274 449 Y HA -0.157 4.393 4.550 -0.000 0.000 0.290 449 Y C 2.406 178.327 175.900 0.034 0.000 1.145 449 Y CA 1.078 59.223 58.100 0.076 0.000 1.203 449 Y CB -0.072 38.497 38.460 0.181 0.000 0.984 449 Y HN -0.069 nan 8.280 nan 0.000 0.533 450 R N -0.472 120.093 120.500 0.108 0.000 2.074 450 R HA -0.012 4.328 4.340 -0.000 0.000 0.218 450 R C 2.110 178.410 176.300 0.001 0.000 1.137 450 R CA 1.668 57.791 56.100 0.038 0.000 0.998 450 R CB -0.831 29.464 30.300 -0.007 0.000 0.895 450 R HN 0.394 nan 8.270 nan 0.000 0.442 451 T N -1.433 113.101 114.554 -0.034 0.000 3.160 451 T HA 0.146 4.496 4.350 -0.000 0.000 0.257 451 T C 0.498 175.176 174.700 -0.037 0.000 1.147 451 T CA 0.345 62.422 62.100 -0.039 0.000 1.064 451 T CB 0.196 69.036 68.868 -0.047 0.000 0.949 451 T HN 0.089 nan 8.240 nan 0.000 0.526 452 E N 0.195 120.380 120.200 -0.024 0.000 2.416 452 E HA 0.369 4.719 4.350 -0.000 0.000 0.273 452 E C -1.410 175.220 176.600 0.050 0.000 0.935 452 E CA -0.958 55.445 56.400 0.005 0.000 0.784 452 E CB 1.629 31.330 29.700 0.002 0.000 1.301 452 E HN 0.209 nan 8.360 nan 0.000 0.454 453 D N 1.702 122.134 120.400 0.054 0.000 2.192 453 D HA 0.232 4.872 4.640 -0.000 0.000 0.246 453 D C -0.302 176.046 176.300 0.080 0.000 1.042 453 D CA -0.200 53.837 54.000 0.063 0.000 0.847 453 D CB 1.132 41.956 40.800 0.040 0.000 1.186 453 D HN 0.469 nan 8.370 nan 0.000 0.461 454 N N 0.941 119.695 118.700 0.089 0.000 2.925 454 N HA -0.233 4.507 4.740 -0.000 0.000 0.244 454 N C -0.072 175.480 175.510 0.070 0.000 1.000 454 N CA 0.269 53.358 53.050 0.065 0.000 0.895 454 N CB -1.803 36.707 38.487 0.039 0.000 1.119 454 N HN 0.437 nan 8.380 nan 0.000 0.569 455 F N 2.562 122.495 119.950 -0.028 0.000 2.506 455 F HA 0.359 4.886 4.527 -0.000 0.000 0.371 455 F C 0.190 175.941 175.800 -0.081 0.000 1.078 455 F CA -0.244 57.710 58.000 -0.077 0.000 1.195 455 F CB 0.662 39.570 39.000 -0.153 0.000 1.099 455 F HN -0.112 nan 8.300 nan 0.000 0.548 456 V N 8.863 128.270 119.914 -0.846 0.000 2.588 456 V HA 0.323 4.442 4.120 -0.000 0.000 0.304 456 V C -1.754 173.590 176.094 -1.250 0.000 1.042 456 V CA -1.353 60.412 62.300 -0.891 0.000 0.877 456 V CB 1.845 33.366 31.823 -0.503 0.000 0.996 456 V HN 0.663 nan 8.190 nan 0.000 0.425 457 P HA 0.112 nan 4.420 nan 0.000 0.256 457 P C -0.589 176.274 177.300 -0.727 0.000 1.335 457 P CA 0.505 63.170 63.100 -0.725 0.000 0.808 457 P CB -0.343 31.197 31.700 -0.267 0.000 1.305 458 F N -4.412 115.189 119.950 -0.583 0.000 2.741 458 F HA 0.692 5.219 4.527 -0.000 0.000 0.313 458 F C 0.987 176.364 175.800 -0.704 0.000 1.153 458 F CA -1.498 55.963 58.000 -0.897 0.000 0.931 458 F CB -0.191 38.483 39.000 -0.544 0.000 1.335 458 F HN -0.317 nan 8.300 nan 0.000 0.460 459 A N 0.560 123.148 122.820 -0.387 0.000 2.016 459 A HA 0.287 4.607 4.320 -0.000 0.000 0.217 459 A C 1.038 178.516 177.584 -0.177 0.000 1.162 459 A CA 1.248 53.184 52.037 -0.168 0.000 0.662 459 A CB -0.714 18.218 19.000 -0.114 0.000 0.812 459 A HN 0.856 nan 8.150 nan 0.000 0.450 460 M N -3.555 115.802 119.600 -0.406 0.000 7.319 460 M HA -0.274 4.205 4.480 -0.000 0.000 0.123 460 M C 1.092 177.249 176.300 -0.239 0.000 0.480 460 M CA 1.683 56.636 55.300 -0.578 0.000 1.311 460 M CB -1.651 30.882 32.600 -0.112 0.000 0.421 460 M HN 1.449 nan 8.290 nan 0.000 0.166 461 G N -0.517 108.286 108.800 0.005 0.000 2.131 461 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.223 461 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.223 461 G C 0.069 175.017 174.900 0.081 0.000 0.990 461 G CA 0.473 45.597 45.100 0.040 0.000 0.671 461 G HN 0.604 nan 8.290 nan 0.000 0.521 462 M N 0.450 120.166 119.600 0.193 0.000 2.821 462 M HA 0.387 4.867 4.480 -0.000 0.000 0.432 462 M C 0.061 176.426 176.300 0.107 0.000 1.291 462 M CA 0.310 55.699 55.300 0.148 0.000 0.838 462 M CB 1.376 34.060 32.600 0.139 0.000 1.505 462 M HN 0.266 nan 8.290 nan 0.000 0.523 463 S N -0.553 115.212 115.700 0.108 0.000 2.547 463 S HA 0.297 4.767 4.470 -0.000 0.000 0.270 463 S C 0.149 174.728 174.600 -0.035 0.000 1.150 463 S CA -0.607 57.578 58.200 -0.025 0.000 0.850 463 S CB 0.990 64.088 63.200 -0.170 0.000 1.118 463 S HN 0.608 nan 8.310 nan 0.000 0.461 464 N N 1.521 120.121 118.700 -0.166 0.000 2.381 464 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 464 N C 0.813 176.201 175.510 -0.204 0.000 1.025 464 N CA 1.197 54.116 53.050 -0.217 0.000 0.888 464 N CB -0.374 37.913 38.487 -0.333 0.000 0.965 464 N HN 0.571 nan 8.380 nan 0.000 0.438 465 Y N 0.689 120.965 120.300 -0.039 0.000 2.583 465 Y HA 0.062 4.612 4.550 -0.000 0.000 0.293 465 Y C 1.197 177.100 175.900 0.006 0.000 1.157 465 Y CA 0.029 58.109 58.100 -0.034 0.000 1.315 465 Y CB -0.216 38.192 38.460 -0.087 0.000 1.021 465 Y HN 0.025 nan 8.280 nan 0.000 0.536 466 D N 0.336 120.840 120.400 0.174 0.000 2.149 466 D HA -0.212 4.427 4.640 -0.000 0.000 0.194 466 D C 1.673 178.048 176.300 0.124 0.000 1.001 466 D CA 1.844 55.955 54.000 0.185 0.000 0.849 466 D CB -0.130 40.761 40.800 0.152 0.000 0.939 466 D HN 0.323 nan 8.370 nan 0.000 0.449 467 D N 0.170 120.621 120.400 0.084 0.000 2.117 467 D HA -0.096 4.543 4.640 -0.000 0.000 0.198 467 D C 1.942 178.276 176.300 0.056 0.000 0.982 467 D CA 0.631 54.666 54.000 0.057 0.000 0.828 467 D CB -0.167 40.655 40.800 0.037 0.000 0.967 467 D HN 0.364 nan 8.370 nan 0.000 0.464 468 E N 0.339 120.582 120.200 0.072 0.000 2.085 468 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 468 E C 2.356 178.974 176.600 0.029 0.000 0.994 468 E CA 0.460 56.893 56.400 0.055 0.000 0.801 468 E CB -0.015 29.741 29.700 0.095 0.000 0.743 468 E HN 0.287 nan 8.360 nan 0.000 0.453 469 I N 0.640 121.248 120.570 0.063 0.000 2.163 469 I HA -0.314 3.855 4.170 -0.000 0.000 0.243 469 I C 2.542 178.680 176.117 0.035 0.000 1.085 469 I CA 1.198 62.535 61.300 0.061 0.000 1.347 469 I CB -0.238 37.869 38.000 0.177 0.000 1.044 469 I HN 0.030 nan 8.210 nan 0.000 0.408 470 R N 0.439 120.965 120.500 0.044 0.000 2.103 470 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 470 R C 2.256 178.567 176.300 0.018 0.000 1.142 470 R CA 1.439 57.552 56.100 0.023 0.000 0.960 470 R CB -0.343 29.974 30.300 0.028 0.000 0.858 470 R HN 0.391 nan 8.270 nan 0.000 0.439 471 E N 0.277 120.484 120.200 0.013 0.000 2.051 471 E HA -0.153 4.196 4.350 -0.000 0.000 0.192 471 E C 2.080 178.665 176.600 -0.025 0.000 0.991 471 E CA 0.932 57.331 56.400 -0.003 0.000 0.799 471 E CB -0.528 29.168 29.700 -0.007 0.000 0.748 471 E HN 0.138 nan 8.360 nan 0.000 0.449 472 V N 1.236 121.128 119.914 -0.036 0.000 2.407 472 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 472 V C 2.116 178.209 176.094 -0.001 0.000 1.055 472 V CA 1.374 63.641 62.300 -0.056 0.000 1.049 472 V CB -0.246 31.545 31.823 -0.053 0.000 0.662 472 V HN 0.198 nan 8.190 nan 0.000 0.455 473 M N -0.565 119.051 119.600 0.026 0.000 2.175 473 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 473 M C 2.133 178.526 176.300 0.155 0.000 1.063 473 M CA 1.802 57.163 55.300 0.102 0.000 1.119 473 M CB -1.262 31.384 32.600 0.076 0.000 1.377 473 M HN 0.309 nan 8.290 nan 0.000 0.415 474 K N 0.234 120.691 120.400 0.096 0.000 2.057 474 K HA -0.030 4.290 4.320 -0.000 0.000 0.206 474 K C 2.049 178.700 176.600 0.086 0.000 1.050 474 K CA 1.086 57.430 56.287 0.094 0.000 0.935 474 K CB 0.007 32.541 32.500 0.056 0.000 0.715 474 K HN 0.194 nan 8.250 nan 0.000 0.439 475 M N 0.448 120.069 119.600 0.035 0.000 2.202 475 M HA -0.149 4.330 4.480 -0.000 0.000 0.262 475 M C 1.827 178.250 176.300 0.205 0.000 1.063 475 M CA 1.964 57.273 55.300 0.015 0.000 1.097 475 M CB -0.414 32.023 32.600 -0.271 0.000 1.382 475 M HN 0.290 nan 8.290 nan 0.000 0.413 476 T N -2.370 112.301 114.554 0.194 0.000 3.148 476 T HA -0.012 4.338 4.350 -0.000 0.000 0.253 476 T C 1.409 176.205 174.700 0.161 0.000 1.134 476 T CA 0.389 62.627 62.100 0.231 0.000 1.051 476 T CB -0.228 68.678 68.868 0.064 0.000 0.959 476 T HN 0.391 nan 8.240 nan 0.000 0.525 477 K N 0.909 121.407 120.400 0.163 0.000 2.097 477 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 477 K C 1.897 178.502 176.600 0.008 0.000 1.049 477 K CA 1.318 57.674 56.287 0.114 0.000 0.933 477 K CB 0.088 32.643 32.500 0.092 0.000 0.717 477 K HN 0.278 nan 8.250 nan 0.000 0.442 478 E N -0.177 120.018 120.200 -0.008 0.000 2.030 478 E HA 0.011 4.361 4.350 -0.000 0.000 0.189 478 E C 0.040 176.323 176.600 -0.527 0.000 0.974 478 E CA 0.883 57.110 56.400 -0.288 0.000 0.807 478 E CB 0.013 29.547 29.700 -0.277 0.000 0.771 478 E HN 0.131 nan 8.360 nan 0.000 0.451 479 F N 0.089 120.065 119.950 0.043 0.000 2.507 479 F HA 0.504 5.031 4.527 -0.000 0.000 0.325 479 F C 0.294 176.085 175.800 -0.016 0.000 1.116 479 F CA -0.799 57.133 58.000 -0.114 0.000 0.930 479 F CB 1.743 40.457 39.000 -0.476 0.000 1.146 479 F HN -0.251 nan 8.300 nan 0.000 0.447 480 R N 2.281 122.886 120.500 0.174 0.000 2.603 480 R HA 0.327 4.667 4.340 -0.000 0.000 0.280 480 R C 0.165 176.624 176.300 0.265 0.000 1.185 480 R CA -0.649 55.562 56.100 0.185 0.000 1.039 480 R CB 1.044 31.455 30.300 0.184 0.000 1.247 480 R HN 0.629 nan 8.270 nan 0.000 0.413 481 R N 2.153 122.746 120.500 0.154 0.000 2.153 481 R HA 0.163 4.502 4.340 -0.000 0.000 0.218 481 R C -0.657 175.727 176.300 0.140 0.000 1.072 481 R CA 1.334 57.519 56.100 0.141 0.000 0.990 481 R CB 0.124 30.442 30.300 0.032 0.000 0.889 481 R HN 0.648 nan 8.270 nan 0.000 0.452 482 N N -2.060 116.629 118.700 -0.018 0.000 2.235 482 N HA 0.128 4.867 4.740 -0.000 0.000 0.293 482 N C -0.333 174.823 175.510 -0.590 0.000 1.083 482 N CA -0.377 52.500 53.050 -0.288 0.000 0.801 482 N CB 2.450 40.830 38.487 -0.179 0.000 1.559 482 N HN -0.210 nan 8.380 nan 0.000 0.472 483 V N 0.308 119.699 119.914 -0.872 0.000 2.515 483 V HA 0.251 4.371 4.120 -0.000 0.000 0.250 483 V C 0.249 176.352 176.094 0.015 0.000 1.058 483 V CA 1.929 63.856 62.300 -0.622 0.000 1.064 483 V CB -0.448 31.087 31.823 -0.479 0.000 0.675 483 V HN 0.865 nan 8.190 nan 0.000 0.461 484 A N -1.898 120.906 122.820 -0.026 0.000 2.605 484 A HA 0.669 4.989 4.320 -0.000 0.000 0.294 484 A C -0.779 176.794 177.584 -0.019 0.000 1.062 484 A CA -0.373 51.723 52.037 0.098 0.000 0.682 484 A CB 1.399 20.496 19.000 0.162 0.000 1.278 484 A HN 0.106 nan 8.150 nan 0.000 0.410 485 L N 0.116 121.337 121.223 -0.003 0.000 2.993 485 L HA 0.428 4.768 4.340 -0.000 0.000 0.264 485 L C -0.580 176.306 176.870 0.026 0.000 1.154 485 L CA 0.715 55.518 54.840 -0.061 0.000 0.972 485 L CB 0.472 42.388 42.059 -0.239 0.000 1.373 485 L HN 0.599 nan 8.230 nan 0.000 0.564 486 L N -1.529 119.750 121.223 0.093 0.000 2.388 486 L HA 0.791 5.131 4.340 -0.000 0.000 0.264 486 L C -0.312 176.600 176.870 0.071 0.000 0.998 486 L CA -0.191 54.704 54.840 0.091 0.000 0.817 486 L CB 2.316 44.456 42.059 0.136 0.000 1.338 486 L HN -0.249 nan 8.230 nan 0.000 0.414 487 T N 1.481 116.058 114.554 0.039 0.000 2.769 487 T HA 0.655 5.004 4.350 -0.000 0.000 0.306 487 T C -1.936 172.750 174.700 -0.022 0.000 1.400 487 T CA -0.419 61.690 62.100 0.015 0.000 1.007 487 T CB 1.410 70.283 68.868 0.009 0.000 1.392 487 T HN 0.306 nan 8.240 nan 0.000 0.500 488 I N 2.706 123.240 120.570 -0.060 0.000 2.410 488 I HA 0.634 4.803 4.170 -0.000 0.000 0.286 488 I C 0.639 176.703 176.117 -0.089 0.000 1.009 488 I CA -0.867 60.361 61.300 -0.120 0.000 1.111 488 I CB 0.559 38.395 38.000 -0.275 0.000 1.262 488 I HN 0.807 nan 8.210 nan 0.000 0.443 489 A N 8.577 131.353 122.820 -0.073 0.000 2.252 489 A HA 0.766 5.086 4.320 -0.000 0.000 0.305 489 A C -1.620 175.928 177.584 -0.060 0.000 1.097 489 A CA -1.212 50.793 52.037 -0.054 0.000 0.849 489 A CB 0.189 19.163 19.000 -0.042 0.000 1.142 489 A HN 0.532 nan 8.150 nan 0.000 0.499 490 P HA -0.096 nan 4.420 nan 0.000 0.218 490 P C 0.714 177.984 177.300 -0.049 0.000 1.149 490 P CA 2.293 65.366 63.100 -0.045 0.000 0.817 490 P CB -0.331 31.347 31.700 -0.036 0.000 0.785 491 T N -4.883 109.639 114.554 -0.053 0.000 4.093 491 T HA -0.249 4.101 4.350 -0.000 0.000 0.334 491 T C 1.366 176.029 174.700 -0.061 0.000 0.773 491 T CA 0.876 62.937 62.100 -0.065 0.000 1.900 491 T CB -2.557 66.263 68.868 -0.080 0.000 1.911 491 T HN 0.324 nan 8.240 nan 0.000 0.844 492 G N 1.374 110.147 108.800 -0.045 0.000 2.719 492 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.219 492 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.219 492 G C 1.642 176.514 174.900 -0.046 0.000 1.234 492 G CA 1.437 46.511 45.100 -0.043 0.000 0.788 492 G HN 0.874 nan 8.290 nan 0.000 0.619 493 S N 0.716 116.403 115.700 -0.022 0.000 2.377 493 S HA -0.022 4.448 4.470 -0.000 0.000 0.223 493 S C 2.384 176.910 174.600 -0.124 0.000 1.030 493 S CA 1.113 59.305 58.200 -0.013 0.000 0.970 493 S CB -0.232 63.048 63.200 0.133 0.000 0.830 493 S HN 0.634 nan 8.310 nan 0.000 0.473 494 I N 1.480 121.962 120.570 -0.146 0.000 2.546 494 I HA -0.044 4.125 4.170 -0.000 0.000 0.255 494 I C 2.255 178.227 176.117 -0.242 0.000 1.163 494 I CA 1.319 62.472 61.300 -0.245 0.000 1.457 494 I CB -0.624 37.238 38.000 -0.230 0.000 1.092 494 I HN 0.286 nan 8.210 nan 0.000 0.434 495 S N 1.637 117.235 115.700 -0.170 0.000 2.383 495 S HA -0.134 4.335 4.470 -0.000 0.000 0.227 495 S C 1.780 176.284 174.600 -0.160 0.000 1.026 495 S CA 1.200 59.312 58.200 -0.148 0.000 0.981 495 S CB -0.778 62.366 63.200 -0.094 0.000 0.818 495 S HN 0.498 nan 8.310 nan 0.000 0.472 496 N N 2.343 120.950 118.700 -0.155 0.000 2.043 496 N HA 0.017 4.757 4.740 -0.000 0.000 0.193 496 N C 1.714 177.082 175.510 -0.236 0.000 1.037 496 N CA 1.727 54.678 53.050 -0.164 0.000 0.851 496 N CB -0.758 37.653 38.487 -0.127 0.000 1.027 496 N HN 0.488 nan 8.380 nan 0.000 0.422 497 I N 0.926 121.297 120.570 -0.332 0.000 2.194 497 I HA -0.256 3.914 4.170 -0.000 0.000 0.246 497 I C 1.844 177.670 176.117 -0.484 0.000 1.093 497 I CA 1.375 62.377 61.300 -0.498 0.000 1.355 497 I CB -0.257 37.292 38.000 -0.752 0.000 1.046 497 I HN 0.093 nan 8.210 nan 0.000 0.413 498 A N -0.804 121.784 122.820 -0.388 0.000 2.238 498 A HA -0.057 4.263 4.320 -0.000 0.000 0.208 498 A C 0.499 177.943 177.584 -0.232 0.000 1.177 498 A CA 0.231 52.071 52.037 -0.327 0.000 0.804 498 A CB -0.369 18.465 19.000 -0.277 0.000 0.823 498 A HN 0.506 nan 8.150 nan 0.000 0.482 499 D N -0.031 120.255 120.400 -0.191 0.000 2.697 499 D HA -0.126 4.513 4.640 -0.000 0.000 0.235 499 D C 0.158 176.419 176.300 -0.065 0.000 1.167 499 D CA 1.683 55.617 54.000 -0.110 0.000 0.656 499 D CB -1.249 39.517 40.800 -0.055 0.000 1.025 499 D HN 0.455 nan 8.370 nan 0.000 0.419 500 T N -1.604 112.905 114.554 -0.075 0.000 2.812 500 T HA 0.506 4.856 4.350 -0.000 0.000 0.294 500 T C -0.346 174.343 174.700 -0.019 0.000 1.159 500 T CA 0.089 62.167 62.100 -0.038 0.000 1.008 500 T CB 1.622 70.449 68.868 -0.068 0.000 1.289 500 T HN 0.088 nan 8.240 nan 0.000 0.514 501 S N 1.114 116.814 115.700 -0.001 0.000 2.603 501 S HA 0.561 5.031 4.470 -0.000 0.000 0.268 501 S C -0.045 174.557 174.600 0.004 0.000 1.317 501 S CA -0.610 57.596 58.200 0.009 0.000 1.012 501 S CB 0.767 63.960 63.200 -0.011 0.000 0.926 501 S HN 0.608 nan 8.310 nan 0.000 0.539 502 S N 1.806 117.511 115.700 0.008 0.000 2.489 502 S HA 0.621 5.091 4.470 -0.000 0.000 0.277 502 S C 1.280 175.882 174.600 0.003 0.000 1.230 502 S CA -0.064 58.130 58.200 -0.010 0.000 1.053 502 S CB 0.250 63.440 63.200 -0.017 0.000 0.955 502 S HN 1.417 nan 8.310 nan 0.000 0.488 503 G N 2.339 111.123 108.800 -0.026 0.000 2.627 503 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.312 503 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.312 503 G C 0.460 175.330 174.900 -0.050 0.000 1.299 503 G CA 0.670 45.732 45.100 -0.063 0.000 0.989 503 G HN 1.083 nan 8.290 nan 0.000 0.547 504 L N -0.566 120.559 121.223 -0.164 0.000 2.628 504 L HA 0.535 4.875 4.340 -0.000 0.000 0.229 504 L C 0.741 177.754 176.870 0.237 0.000 1.137 504 L CA 0.148 54.871 54.840 -0.194 0.000 0.909 504 L CB -0.683 40.776 42.059 -1.000 0.000 1.137 504 L HN 0.363 nan 8.230 nan 0.000 0.470 505 E N 3.177 123.475 120.200 0.163 0.000 2.373 505 E HA 0.256 4.606 4.350 -0.000 0.000 0.267 505 E C -2.172 174.514 176.600 0.143 0.000 1.032 505 E CA -1.800 54.701 56.400 0.168 0.000 0.889 505 E CB 0.305 30.052 29.700 0.079 0.000 0.984 505 E HN 0.203 nan 8.360 nan 0.000 0.425 506 P HA -0.009 nan 4.420 nan 0.000 0.272 506 P C -0.114 177.149 177.300 -0.061 0.000 1.240 506 P CA -0.280 62.646 63.100 -0.289 0.000 0.791 506 P CB 0.582 31.864 31.700 -0.696 0.000 0.978 507 N N 0.522 119.196 118.700 -0.043 0.000 2.492 507 N HA -0.013 4.727 4.740 -0.000 0.000 0.262 507 N C 0.801 176.374 175.510 0.106 0.000 1.202 507 N CA 0.093 53.194 53.050 0.084 0.000 0.926 507 N CB 0.266 38.855 38.487 0.170 0.000 1.078 507 N HN 0.440 nan 8.380 nan 0.000 0.454 508 F N 2.176 122.144 119.950 0.031 0.000 2.163 508 F HA 0.133 4.660 4.527 -0.000 0.000 0.297 508 F C 0.449 176.279 175.800 0.050 0.000 1.094 508 F CA 0.905 58.909 58.000 0.008 0.000 1.290 508 F CB 0.405 39.376 39.000 -0.048 0.000 1.017 508 F HN 0.327 nan 8.300 nan 0.000 0.483 509 L N 0.072 121.400 121.223 0.175 0.000 2.409 509 L HA 0.242 4.582 4.340 -0.000 0.000 0.262 509 L C 0.350 177.421 176.870 0.334 0.000 0.992 509 L CA -0.767 54.189 54.840 0.193 0.000 0.817 509 L CB 2.412 44.641 42.059 0.284 0.000 1.350 509 L HN -0.056 nan 8.230 nan 0.000 0.411 510 L N 1.683 123.041 121.223 0.224 0.000 2.341 510 L HA 0.300 4.639 4.340 -0.000 0.000 0.214 510 L C 0.608 177.511 176.870 0.054 0.000 1.115 510 L CA 0.484 55.423 54.840 0.164 0.000 0.820 510 L CB 0.086 42.176 42.059 0.052 0.000 0.944 510 L HN 0.679 nan 8.230 nan 0.000 0.452 511 A N -0.568 122.329 122.820 0.129 0.000 2.517 511 A HA 0.654 4.973 4.320 -0.000 0.000 0.297 511 A C -1.606 176.098 177.584 0.200 0.000 1.050 511 A CA -0.406 51.622 52.037 -0.015 0.000 0.694 511 A CB 0.944 19.881 19.000 -0.106 0.000 1.277 511 A HN 0.182 nan 8.150 nan 0.000 0.400 512 Y N -1.554 118.796 120.300 0.084 0.000 2.638 512 Y HA 0.767 5.317 4.550 -0.000 0.000 0.335 512 Y C -0.208 175.672 175.900 -0.032 0.000 1.155 512 Y CA -1.146 56.978 58.100 0.041 0.000 1.046 512 Y CB 1.101 39.604 38.460 0.071 0.000 1.303 512 Y HN 0.368 nan 8.280 nan 0.000 0.460 513 T N 3.921 118.477 114.554 0.004 0.000 2.738 513 T HA 0.339 4.689 4.350 -0.000 0.000 0.298 513 T C -0.375 174.077 174.700 -0.414 0.000 0.962 513 T CA -0.940 60.972 62.100 -0.313 0.000 0.972 513 T CB 0.007 68.586 68.868 -0.482 0.000 0.928 513 T HN 0.645 nan 8.240 nan 0.000 0.474 514 R N 3.390 123.710 120.500 -0.300 0.000 2.215 514 R HA 0.302 4.642 4.340 -0.000 0.000 0.336 514 R C -1.387 174.771 176.300 -0.237 0.000 0.996 514 R CA -0.577 55.411 56.100 -0.186 0.000 0.847 514 R CB -0.044 30.254 30.300 -0.004 0.000 1.127 514 R HN 0.391 nan 8.270 nan 0.000 0.465 515 F N 3.167 123.150 119.950 0.055 0.000 2.444 515 F HA 0.162 4.689 4.527 -0.000 0.000 0.360 515 F C 0.775 176.592 175.800 0.027 0.000 1.106 515 F CA -0.837 57.185 58.000 0.036 0.000 1.170 515 F CB 1.352 40.371 39.000 0.031 0.000 1.113 515 F HN 0.262 nan 8.300 nan 0.000 0.521 516 V N 0.565 120.582 119.914 0.172 0.000 2.406 516 V HA 0.339 4.458 4.120 -0.000 0.000 0.272 516 V C 0.141 176.295 176.094 0.101 0.000 1.043 516 V CA -0.829 61.534 62.300 0.106 0.000 0.915 516 V CB 0.600 32.460 31.823 0.062 0.000 0.988 516 V HN 0.733 nan 8.190 nan 0.000 0.466 517 T N 4.829 119.431 114.554 0.079 0.000 2.848 517 T HA 0.205 4.555 4.350 -0.000 0.000 0.283 517 T C 0.146 174.873 174.700 0.045 0.000 0.919 517 T CA -0.073 62.062 62.100 0.058 0.000 1.071 517 T CB -0.219 68.677 68.868 0.047 0.000 0.912 517 T HN 0.732 nan 8.240 nan 0.000 0.570 518 K N 2.874 123.299 120.400 0.043 0.000 2.383 518 K HA 0.099 4.419 4.320 -0.000 0.000 0.286 518 K C 1.084 177.701 176.600 0.027 0.000 1.051 518 K CA -0.241 56.066 56.287 0.033 0.000 0.974 518 K CB 0.618 33.137 32.500 0.032 0.000 0.968 518 K HN 0.476 nan 8.250 nan 0.000 0.475 519 E N 2.496 122.712 120.200 0.025 0.000 2.094 519 E HA -0.322 4.028 4.350 -0.000 0.000 0.232 519 E C 0.341 176.953 176.600 0.020 0.000 1.055 519 E CA 2.175 58.590 56.400 0.024 0.000 0.923 519 E CB 0.010 29.725 29.700 0.024 0.000 0.815 519 E HN 0.815 nan 8.360 nan 0.000 0.502 520 D N -4.056 116.354 120.400 0.017 0.000 4.746 520 D HA -0.178 4.462 4.640 -0.000 0.000 0.134 520 D C 1.250 177.559 176.300 0.015 0.000 0.726 520 D CA 0.940 54.949 54.000 0.016 0.000 0.998 520 D CB -1.614 39.196 40.800 0.018 0.000 0.635 520 D HN 0.409 nan 8.370 nan 0.000 0.597 521 G N -0.451 108.359 108.800 0.017 0.000 2.875 521 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.227 521 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.227 521 G C 1.138 176.047 174.900 0.015 0.000 1.259 521 G CA 4.653 49.763 45.100 0.016 0.000 0.780 521 G HN 0.831 nan 8.290 nan 0.000 0.685 522 T N -3.638 110.927 114.554 0.018 0.000 3.908 522 T HA 0.272 4.622 4.350 -0.000 0.000 0.282 522 T C -0.549 174.161 174.700 0.017 0.000 0.854 522 T CA 1.159 63.266 62.100 0.013 0.000 1.194 522 T CB -0.201 68.672 68.868 0.007 0.000 0.975 522 T HN 0.625 nan 8.240 nan 0.000 0.426 523 K N 1.194 121.613 120.400 0.031 0.000 2.795 523 K HA 0.238 4.558 4.320 -0.000 0.000 0.303 523 K C -2.361 174.297 176.600 0.095 0.000 1.196 523 K CA -0.257 56.062 56.287 0.053 0.000 1.033 523 K CB 1.301 33.808 32.500 0.013 0.000 1.375 523 K HN 0.298 nan 8.250 nan 0.000 0.420 524 E N 4.534 124.819 120.200 0.143 0.000 2.166 524 E HA 0.421 4.771 4.350 -0.000 0.000 0.275 524 E C -2.593 174.168 176.600 0.268 0.000 0.941 524 E CA -2.236 54.258 56.400 0.156 0.000 0.784 524 E CB 1.344 31.099 29.700 0.091 0.000 1.115 524 E HN 0.139 nan 8.360 nan 0.000 0.399 525 P HA 0.121 nan 4.420 nan 0.000 0.271 525 P C -1.216 176.075 177.300 -0.016 0.000 1.380 525 P CA -0.306 62.906 63.100 0.186 0.000 0.992 525 P CB 0.177 32.009 31.700 0.220 0.000 1.230 526 L N 5.192 126.342 121.223 -0.123 0.000 2.287 526 L HA 0.416 4.756 4.340 -0.000 0.000 0.287 526 L C -0.631 176.148 176.870 -0.152 0.000 1.022 526 L CA -1.010 53.771 54.840 -0.099 0.000 0.814 526 L CB 1.100 43.128 42.059 -0.051 0.000 1.217 526 L HN 0.140 nan 8.230 nan 0.000 0.420 527 L N 5.767 126.922 121.223 -0.113 0.000 2.360 527 L HA 0.299 4.639 4.340 -0.000 0.000 0.276 527 L C -1.227 175.578 176.870 -0.108 0.000 1.121 527 L CA 0.252 55.016 54.840 -0.126 0.000 0.845 527 L CB 0.483 42.475 42.059 -0.112 0.000 1.143 527 L HN 0.625 nan 8.230 nan 0.000 0.452 528 Y N 5.176 125.278 120.300 -0.330 0.000 2.330 528 Y HA 0.646 5.196 4.550 -0.000 0.000 0.336 528 Y C -0.983 174.706 175.900 -0.352 0.000 1.036 528 Y CA -0.828 57.032 58.100 -0.401 0.000 1.125 528 Y CB 1.349 39.379 38.460 -0.717 0.000 1.194 528 Y HN 0.404 nan 8.280 nan 0.000 0.469 529 V N 6.569 125.911 119.914 -0.954 0.000 2.540 529 V HA 0.203 4.323 4.120 -0.000 0.000 0.302 529 V C -0.032 175.248 176.094 -1.357 0.000 1.035 529 V CA -1.579 60.169 62.300 -0.921 0.000 0.873 529 V CB 1.598 33.144 31.823 -0.462 0.000 0.992 529 V HN 0.883 nan 8.190 nan 0.000 0.428 530 N N 2.792 120.908 118.700 -0.973 0.000 2.131 530 N HA -0.146 4.593 4.740 -0.000 0.000 0.276 530 N C 1.111 176.505 175.510 -0.194 0.000 1.295 530 N CA 0.544 53.381 53.050 -0.354 0.000 0.818 530 N CB 0.945 39.480 38.487 0.079 0.000 1.049 530 N HN 0.892 nan 8.380 nan 0.000 0.484 531 Q N 3.884 123.689 119.800 0.007 0.000 2.061 531 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 531 Q C 1.594 177.626 176.000 0.054 0.000 0.984 531 Q CA 2.019 57.847 55.803 0.041 0.000 0.846 531 Q CB -0.130 28.689 28.738 0.134 0.000 0.902 531 Q HN 0.628 nan 8.270 nan 0.000 0.421 532 V N 0.545 120.549 119.914 0.150 0.000 2.427 532 V HA -0.202 3.917 4.120 -0.000 0.000 0.248 532 V C 2.257 178.447 176.094 0.159 0.000 1.051 532 V CA 1.455 63.875 62.300 0.201 0.000 1.048 532 V CB -0.809 31.211 31.823 0.329 0.000 0.666 532 V HN 0.402 nan 8.190 nan 0.000 0.456 533 L N 0.363 121.615 121.223 0.048 0.000 2.017 533 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 533 L C 2.577 179.243 176.870 -0.339 0.000 1.073 533 L CA 1.992 56.545 54.840 -0.479 0.000 0.745 533 L CB -0.702 41.033 42.059 -0.540 0.000 0.894 533 L HN 0.144 nan 8.230 nan 0.000 0.432 534 R N -0.277 120.096 120.500 -0.211 0.000 2.117 534 R HA -0.203 4.136 4.340 -0.000 0.000 0.243 534 R C 2.142 178.363 176.300 -0.131 0.000 1.143 534 R CA 1.889 57.883 56.100 -0.177 0.000 0.968 534 R CB -0.203 30.010 30.300 -0.146 0.000 0.863 534 R HN 0.748 nan 8.270 nan 0.000 0.444 535 E N -0.759 119.390 120.200 -0.084 0.000 2.385 535 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 535 E C 1.168 177.739 176.600 -0.049 0.000 1.013 535 E CA 0.474 56.846 56.400 -0.048 0.000 0.866 535 E CB 0.274 29.971 29.700 -0.006 0.000 0.832 535 E HN 0.143 nan 8.360 nan 0.000 0.500 536 K N 0.391 120.743 120.400 -0.080 0.000 2.214 536 K HA 0.145 4.465 4.320 -0.000 0.000 0.201 536 K C 0.749 177.267 176.600 -0.135 0.000 1.049 536 K CA -0.201 56.045 56.287 -0.069 0.000 0.978 536 K CB 0.003 32.515 32.500 0.021 0.000 0.842 536 K HN 0.119 nan 8.250 nan 0.000 0.474 537 L N 3.149 124.226 121.223 -0.244 0.000 2.410 537 L HA 0.057 4.397 4.340 -0.000 0.000 0.273 537 L C -0.024 176.751 176.870 -0.159 0.000 1.144 537 L CA 0.195 54.893 54.840 -0.237 0.000 0.863 537 L CB -0.167 41.691 42.059 -0.336 0.000 1.140 537 L HN 0.131 nan 8.230 nan 0.000 0.463 538 N N 6.118 124.745 118.700 -0.122 0.000 2.256 538 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 538 N C -1.681 173.770 175.510 -0.098 0.000 1.362 538 N CA -0.584 52.410 53.050 -0.093 0.000 0.861 538 N CB 0.687 39.127 38.487 -0.078 0.000 1.136 538 N HN 0.467 nan 8.380 nan 0.000 0.492 539 P HA -0.199 nan 4.420 nan 0.000 0.220 539 P C 0.542 177.796 177.300 -0.078 0.000 1.144 539 P CA 1.134 64.183 63.100 -0.085 0.000 0.800 539 P CB 0.216 31.875 31.700 -0.069 0.000 0.772 540 E N -0.623 119.536 120.200 -0.068 0.000 2.122 540 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 540 E C 1.929 178.490 176.600 -0.066 0.000 0.977 540 E CA 0.404 56.768 56.400 -0.060 0.000 0.820 540 E CB -0.296 29.375 29.700 -0.049 0.000 0.770 540 E HN 0.136 nan 8.360 nan 0.000 0.462 541 I N 1.478 122.002 120.570 -0.076 0.000 2.163 541 I HA -0.296 3.873 4.170 -0.000 0.000 0.243 541 I C 2.616 178.674 176.117 -0.098 0.000 1.085 541 I CA 0.810 62.059 61.300 -0.084 0.000 1.347 541 I CB -0.375 37.568 38.000 -0.095 0.000 1.044 541 I HN 0.297 nan 8.210 nan 0.000 0.408 542 L N 0.908 122.062 121.223 -0.115 0.000 2.013 542 L HA -0.291 4.048 4.340 -0.000 0.000 0.212 542 L C 2.640 179.448 176.870 -0.103 0.000 1.073 542 L CA 1.931 56.694 54.840 -0.128 0.000 0.753 542 L CB -0.345 41.629 42.059 -0.142 0.000 0.890 542 L HN 0.212 nan 8.230 nan 0.000 0.432 543 K N -0.029 120.320 120.400 -0.085 0.000 2.026 543 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 543 K C 2.154 178.718 176.600 -0.060 0.000 1.048 543 K CA 1.305 57.551 56.287 -0.069 0.000 0.929 543 K CB -0.197 32.267 32.500 -0.058 0.000 0.713 543 K HN 0.160 nan 8.250 nan 0.000 0.439 544 R N 0.392 120.857 120.500 -0.058 0.000 2.127 544 R HA -0.134 4.205 4.340 -0.000 0.000 0.228 544 R C 2.212 178.480 176.300 -0.053 0.000 1.125 544 R CA 2.009 58.078 56.100 -0.051 0.000 0.904 544 R CB -0.827 29.443 30.300 -0.050 0.000 0.831 544 R HN 0.387 nan 8.270 nan 0.000 0.431 545 I N 0.596 121.127 120.570 -0.064 0.000 2.676 545 I HA -0.166 4.004 4.170 -0.000 0.000 0.259 545 I C 1.975 178.053 176.117 -0.065 0.000 1.194 545 I CA 1.584 62.846 61.300 -0.063 0.000 1.473 545 I CB -1.086 36.870 38.000 -0.073 0.000 1.096 545 I HN 0.386 nan 8.210 nan 0.000 0.443 546 E N 2.943 123.098 120.200 -0.076 0.000 2.172 546 E HA -0.329 4.021 4.350 -0.000 0.000 0.213 546 E C 1.829 178.397 176.600 -0.055 0.000 1.051 546 E CA 2.875 59.228 56.400 -0.078 0.000 0.860 546 E CB -0.302 29.348 29.700 -0.083 0.000 0.755 546 E HN 0.708 nan 8.360 nan 0.000 0.462 547 K N 0.097 120.473 120.400 -0.041 0.000 2.057 547 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 547 K C 2.428 179.017 176.600 -0.018 0.000 1.050 547 K CA 1.338 57.610 56.287 -0.025 0.000 0.935 547 K CB -0.277 32.212 32.500 -0.019 0.000 0.715 547 K HN 0.247 nan 8.250 nan 0.000 0.439 548 E N 1.122 121.308 120.200 -0.024 0.000 2.150 548 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 548 E C 2.017 178.605 176.600 -0.021 0.000 0.985 548 E CA 0.388 56.776 56.400 -0.020 0.000 0.814 548 E CB 0.084 29.769 29.700 -0.025 0.000 0.752 548 E HN 0.088 nan 8.360 nan 0.000 0.466 549 L N 1.141 122.345 121.223 -0.031 0.000 2.046 549 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 549 L C 1.992 178.858 176.870 -0.007 0.000 1.077 549 L CA 1.567 56.388 54.840 -0.031 0.000 0.747 549 L CB -0.291 41.735 42.059 -0.055 0.000 0.896 549 L HN 0.215 nan 8.230 nan 0.000 0.432 550 I N -0.495 120.074 120.570 -0.001 0.000 2.394 550 I HA -0.207 3.962 4.170 -0.000 0.000 0.251 550 I C 2.368 178.505 176.117 0.034 0.000 1.136 550 I CA 1.315 62.632 61.300 0.028 0.000 1.425 550 I CB -0.467 37.547 38.000 0.024 0.000 1.079 550 I HN 0.398 nan 8.210 nan 0.000 0.425 551 E N 1.971 122.183 120.200 0.019 0.000 2.112 551 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 551 E C 1.954 178.564 176.600 0.016 0.000 0.979 551 E CA 1.341 57.753 56.400 0.021 0.000 0.814 551 E CB 0.067 29.775 29.700 0.013 0.000 0.762 551 E HN 0.344 nan 8.360 nan 0.000 0.460 552 K N -1.131 119.272 120.400 0.006 0.000 2.348 552 K HA 0.236 4.555 4.320 -0.000 0.000 0.194 552 K C 1.147 177.742 176.600 -0.009 0.000 1.052 552 K CA 0.501 56.786 56.287 -0.002 0.000 1.004 552 K CB 0.678 33.172 32.500 -0.010 0.000 0.873 552 K HN 0.265 nan 8.250 nan 0.000 0.523 553 G N 2.016 110.813 108.800 -0.006 0.000 2.162 553 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 553 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 553 G C 0.028 174.896 174.900 -0.053 0.000 0.976 553 G CA 0.735 45.821 45.100 -0.023 0.000 0.655 553 G HN 0.384 nan 8.290 nan 0.000 0.533 554 S N -2.009 113.667 115.700 -0.039 0.000 2.588 554 S HA 0.630 5.100 4.470 -0.000 0.000 0.269 554 S C 0.732 175.311 174.600 -0.036 0.000 1.157 554 S CA -0.232 57.943 58.200 -0.041 0.000 0.824 554 S CB 0.904 64.076 63.200 -0.046 0.000 1.126 554 S HN 0.515 nan 8.310 nan 0.000 0.464 555 L N 2.962 124.164 121.223 -0.036 0.000 2.529 555 L HA 0.222 4.562 4.340 -0.000 0.000 0.223 555 L C 2.368 179.218 176.870 -0.034 0.000 1.113 555 L CA 0.288 55.102 54.840 -0.044 0.000 0.861 555 L CB -0.314 41.711 42.059 -0.057 0.000 1.012 555 L HN 0.771 nan 8.230 nan 0.000 0.461 556 K N -0.267 120.118 120.400 -0.025 0.000 2.103 556 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 556 K C 0.191 176.780 176.600 -0.018 0.000 1.048 556 K CA 1.631 57.907 56.287 -0.018 0.000 0.930 556 K CB -0.139 32.353 32.500 -0.015 0.000 0.716 556 K HN 0.190 nan 8.250 nan 0.000 0.444 557 D N 0.773 121.161 120.400 -0.019 0.000 2.643 557 D HA 0.260 4.900 4.640 -0.000 0.000 0.244 557 D C -0.447 175.841 176.300 -0.021 0.000 1.257 557 D CA -0.128 53.862 54.000 -0.017 0.000 0.831 557 D CB 0.217 41.010 40.800 -0.013 0.000 1.043 557 D HN 0.216 nan 8.370 nan 0.000 0.488 558 I N 1.839 122.393 120.570 -0.027 0.000 2.331 558 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 558 I C -2.214 173.884 176.117 -0.032 0.000 0.998 558 I CA -2.054 59.227 61.300 -0.032 0.000 1.267 558 I CB 1.651 39.626 38.000 -0.042 0.000 1.386 558 I HN -0.342 nan 8.210 nan 0.000 0.476 559 P HA 0.092 nan 4.420 nan 0.000 0.271 559 P C -0.707 176.573 177.300 -0.033 0.000 1.216 559 P CA 0.030 63.113 63.100 -0.027 0.000 0.776 559 P CB 0.361 32.047 31.700 -0.023 0.000 0.881 560 D N -1.366 119.015 120.400 -0.032 0.000 2.800 560 D HA -0.132 4.507 4.640 -0.000 0.000 0.232 560 D C -0.368 175.905 176.300 -0.046 0.000 1.137 560 D CA 0.565 54.544 54.000 -0.035 0.000 0.718 560 D CB -1.188 39.592 40.800 -0.034 0.000 1.084 560 D HN 0.250 nan 8.370 nan 0.000 0.432 561 V N 0.315 120.200 119.914 -0.049 0.000 2.409 561 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 561 V C -2.120 173.944 176.094 -0.049 0.000 1.020 561 V CA -1.499 60.765 62.300 -0.061 0.000 0.848 561 V CB 1.937 33.712 31.823 -0.078 0.000 0.990 561 V HN -0.158 nan 8.190 nan 0.000 0.430 562 P HA 0.067 nan 4.420 nan 0.000 0.266 562 P C 0.440 177.725 177.300 -0.025 0.000 1.193 562 P CA 0.326 63.406 63.100 -0.034 0.000 0.770 562 P CB 0.977 32.656 31.700 -0.035 0.000 0.836 563 E N 2.715 122.904 120.200 -0.018 0.000 2.038 563 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 563 E C 1.732 178.329 176.600 -0.004 0.000 1.000 563 E CA 1.827 58.219 56.400 -0.012 0.000 0.803 563 E CB -0.422 29.271 29.700 -0.011 0.000 0.750 563 E HN 0.374 nan 8.360 nan 0.000 0.448 564 K N -0.197 120.201 120.400 -0.003 0.000 2.211 564 K HA -0.115 4.204 4.320 -0.000 0.000 0.204 564 K C 1.999 178.621 176.600 0.036 0.000 1.047 564 K CA 1.220 57.510 56.287 0.005 0.000 0.935 564 K CB -0.131 32.369 32.500 -0.001 0.000 0.728 564 K HN 0.258 nan 8.250 nan 0.000 0.452 565 I N 0.834 121.429 120.570 0.042 0.000 2.353 565 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 565 I C 1.844 178.031 176.117 0.116 0.000 1.119 565 I CA 1.179 62.542 61.300 0.105 0.000 1.417 565 I CB -0.339 37.634 38.000 -0.045 0.000 1.078 565 I HN 0.167 nan 8.210 nan 0.000 0.421 566 K N 0.853 121.272 120.400 0.031 0.000 2.097 566 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 566 K C 2.036 178.651 176.600 0.026 0.000 1.049 566 K CA 1.002 57.301 56.287 0.020 0.000 0.933 566 K CB -0.003 32.495 32.500 -0.004 0.000 0.717 566 K HN 0.192 nan 8.250 nan 0.000 0.442 567 K N 0.552 120.962 120.400 0.016 0.000 2.116 567 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 567 K C 2.169 178.758 176.600 -0.019 0.000 1.052 567 K CA 0.681 56.968 56.287 0.000 0.000 0.952 567 K CB -0.357 32.139 32.500 -0.007 0.000 0.729 567 K HN -0.027 nan 8.250 nan 0.000 0.446 568 V N 0.444 120.331 119.914 -0.046 0.000 2.346 568 V HA -0.086 4.034 4.120 -0.000 0.000 0.244 568 V C 0.922 176.792 176.094 -0.373 0.000 1.037 568 V CA 1.111 63.289 62.300 -0.202 0.000 1.029 568 V CB -0.347 31.300 31.823 -0.294 0.000 0.663 568 V HN 0.053 nan 8.190 nan 0.000 0.454 569 F N 1.440 121.230 119.950 -0.267 0.000 2.640 569 F HA 0.340 4.867 4.527 -0.000 0.000 0.331 569 F C 0.365 176.069 175.800 -0.161 0.000 1.200 569 F CA -0.679 57.028 58.000 -0.488 0.000 1.278 569 F CB -0.236 38.429 39.000 -0.560 0.000 1.571 569 F HN -0.056 nan 8.300 nan 0.000 0.576 570 V N -0.067 119.896 119.914 0.081 0.000 2.732 570 V HA 0.653 4.773 4.120 -0.000 0.000 0.297 570 V C 0.220 176.382 176.094 0.113 0.000 1.060 570 V CA -1.041 61.307 62.300 0.081 0.000 1.038 570 V CB 0.950 32.802 31.823 0.048 0.000 1.003 570 V HN 0.192 nan 8.190 nan 0.000 0.481 571 V N 0.933 120.854 119.914 0.011 0.000 3.193 571 V HA 0.870 4.990 4.120 -0.000 0.000 0.320 571 V C 1.648 177.653 176.094 -0.147 0.000 1.112 571 V CA -0.115 62.148 62.300 -0.061 0.000 1.026 571 V CB 0.743 32.493 31.823 -0.121 0.000 1.128 571 V HN 1.276 nan 8.190 nan 0.000 0.452 572 A N 0.280 122.987 122.820 -0.189 0.000 1.915 572 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 572 A C 1.867 179.458 177.584 0.013 0.000 1.198 572 A CA 2.604 54.609 52.037 -0.053 0.000 0.647 572 A CB -1.040 17.988 19.000 0.048 0.000 0.825 572 A HN 0.905 nan 8.150 nan 0.000 0.456 573 L N -0.666 120.453 121.223 -0.175 0.000 2.492 573 L HA -0.043 4.297 4.340 -0.000 0.000 0.223 573 L C 1.286 178.134 176.870 -0.036 0.000 1.132 573 L CA 0.455 55.250 54.840 -0.075 0.000 0.850 573 L CB -0.283 41.694 42.059 -0.137 0.000 0.966 573 L HN 0.305 nan 8.230 nan 0.000 0.454 574 D N 0.557 120.922 120.400 -0.057 0.000 2.312 574 D HA 0.036 4.676 4.640 -0.000 0.000 0.211 574 D C 0.767 177.057 176.300 -0.017 0.000 0.964 574 D CA 0.905 54.887 54.000 -0.030 0.000 0.877 574 D CB 0.301 41.082 40.800 -0.031 0.000 0.924 574 D HN 0.296 nan 8.370 nan 0.000 0.515 575 I N 2.585 123.135 120.570 -0.034 0.000 2.315 575 I HA 0.038 4.208 4.170 -0.000 0.000 0.291 575 I C 0.186 176.308 176.117 0.008 0.000 1.006 575 I CA -1.005 60.237 61.300 -0.097 0.000 1.265 575 I CB 1.191 38.964 38.000 -0.378 0.000 1.387 575 I HN -0.193 nan 8.210 nan 0.000 0.475 576 D N 7.283 127.708 120.400 0.042 0.000 2.360 576 D HA 0.149 4.789 4.640 -0.000 0.000 0.242 576 D C -2.013 174.413 176.300 0.210 0.000 1.184 576 D CA -2.051 52.017 54.000 0.114 0.000 0.930 576 D CB 0.385 41.231 40.800 0.076 0.000 1.161 576 D HN 0.130 nan 8.370 nan 0.000 0.447 577 P HA -0.220 nan 4.420 nan 0.000 0.217 577 P C 1.599 179.024 177.300 0.208 0.000 1.158 577 P CA 1.681 64.919 63.100 0.230 0.000 0.887 577 P CB -0.024 31.752 31.700 0.128 0.000 0.792 578 M N -1.222 118.463 119.600 0.142 0.000 2.229 578 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 578 M C 1.411 177.791 176.300 0.132 0.000 1.063 578 M CA 1.589 56.962 55.300 0.123 0.000 1.114 578 M CB -1.597 31.055 32.600 0.085 0.000 1.387 578 M HN -0.035 nan 8.290 nan 0.000 0.420 579 D N -0.767 119.703 120.400 0.116 0.000 2.144 579 D HA -0.129 4.510 4.640 -0.000 0.000 0.200 579 D C 1.998 178.385 176.300 0.146 0.000 0.978 579 D CA 0.964 55.024 54.000 0.099 0.000 0.833 579 D CB -0.328 40.504 40.800 0.055 0.000 0.961 579 D HN 0.380 nan 8.370 nan 0.000 0.470 580 H N 0.321 119.515 119.070 0.207 0.000 2.289 580 H HA -0.138 4.418 4.556 -0.000 0.000 0.296 580 H C 2.249 177.695 175.328 0.198 0.000 1.091 580 H CA 0.941 57.124 56.048 0.225 0.000 1.274 580 H CB -0.554 29.295 29.762 0.144 0.000 1.364 580 H HN 0.121 nan 8.280 nan 0.000 0.490 581 L N 1.013 122.408 121.223 0.286 0.000 2.012 581 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 581 L C 2.417 179.389 176.870 0.171 0.000 1.073 581 L CA 1.356 56.319 54.840 0.205 0.000 0.748 581 L CB -0.864 41.296 42.059 0.169 0.000 0.891 581 L HN 0.143 nan 8.230 nan 0.000 0.431 582 L N -1.567 119.747 121.223 0.151 0.000 2.217 582 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 582 L C 2.441 179.383 176.870 0.121 0.000 1.107 582 L CA 1.036 55.944 54.840 0.113 0.000 0.783 582 L CB -0.454 41.656 42.059 0.086 0.000 0.919 582 L HN 0.395 nan 8.230 nan 0.000 0.442 583 M N -0.146 119.556 119.600 0.170 0.000 2.132 583 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 583 M C 2.237 178.699 176.300 0.270 0.000 1.065 583 M CA 1.744 57.160 55.300 0.195 0.000 1.122 583 M CB -0.409 32.341 32.600 0.250 0.000 1.365 583 M HN 0.133 nan 8.290 nan 0.000 0.411 584 Q N -0.350 119.596 119.800 0.243 0.000 2.077 584 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 584 Q C 1.716 177.816 176.000 0.168 0.000 0.989 584 Q CA 2.453 58.376 55.803 0.201 0.000 0.853 584 Q CB -0.373 28.461 28.738 0.161 0.000 0.907 584 Q HN 0.718 nan 8.270 nan 0.000 0.418 585 D N -0.628 119.850 120.400 0.129 0.000 2.123 585 D HA -0.189 4.450 4.640 -0.000 0.000 0.196 585 D C 1.723 178.052 176.300 0.049 0.000 0.992 585 D CA 1.743 55.791 54.000 0.079 0.000 0.833 585 D CB -0.165 40.674 40.800 0.065 0.000 0.954 585 D HN 0.392 nan 8.370 nan 0.000 0.455 586 A N -0.559 122.287 122.820 0.043 0.000 1.883 586 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 586 A C 2.127 179.665 177.584 -0.076 0.000 1.186 586 A CA 1.324 53.336 52.037 -0.042 0.000 0.624 586 A CB -1.244 17.684 19.000 -0.121 0.000 0.822 586 A HN 0.367 nan 8.150 nan 0.000 0.444 587 F N -0.503 119.410 119.950 -0.061 0.000 2.134 587 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 587 F C 2.605 178.355 175.800 -0.083 0.000 1.097 587 F CA 1.843 59.786 58.000 -0.094 0.000 1.264 587 F CB -0.391 38.518 39.000 -0.151 0.000 1.001 587 F HN 0.272 nan 8.300 nan 0.000 0.479 588 Q N 0.717 120.580 119.800 0.106 0.000 2.291 588 Q HA -0.123 4.217 4.340 -0.000 0.000 0.205 588 Q C 1.923 177.843 176.000 -0.133 0.000 0.970 588 Q CA 1.305 57.112 55.803 0.007 0.000 0.876 588 Q CB -0.255 28.500 28.738 0.029 0.000 0.935 588 Q HN 0.255 nan 8.270 nan 0.000 0.455 589 R N -1.405 118.977 120.500 -0.196 0.000 2.241 589 R HA -0.106 4.234 4.340 -0.000 0.000 0.224 589 R C 0.358 176.080 176.300 -0.964 0.000 1.101 589 R CA 1.094 56.901 56.100 -0.488 0.000 0.995 589 R CB 0.124 30.127 30.300 -0.495 0.000 0.870 589 R HN 0.308 nan 8.270 nan 0.000 0.463 590 Y N -1.448 118.575 120.300 -0.462 0.000 2.738 590 Y HA 0.283 4.833 4.550 -0.000 0.000 0.249 590 Y C -0.587 174.818 175.900 -0.826 0.000 1.153 590 Y CA -0.509 56.989 58.100 -1.002 0.000 1.165 590 Y CB 1.187 39.252 38.460 -0.657 0.000 1.235 590 Y HN -0.285 nan 8.280 nan 0.000 0.559 591 V N 1.279 121.008 119.914 -0.308 0.000 2.487 591 V HA 0.160 4.280 4.120 -0.000 0.000 0.298 591 V C 0.149 176.379 176.094 0.226 0.000 1.028 591 V CA -0.760 61.537 62.300 -0.005 0.000 0.860 591 V CB 1.829 33.669 31.823 0.028 0.000 0.991 591 V HN 0.307 nan 8.190 nan 0.000 0.427 592 D N 2.430 123.076 120.400 0.410 0.000 2.249 592 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 592 D C 0.743 177.163 176.300 0.201 0.000 0.962 592 D CA 0.650 54.866 54.000 0.359 0.000 0.860 592 D CB 0.118 41.168 40.800 0.417 0.000 0.955 592 D HN 0.436 nan 8.370 nan 0.000 0.505 593 N N 0.348 119.136 118.700 0.147 0.000 2.562 593 N HA 0.177 4.917 4.740 -0.000 0.000 0.299 593 N C 0.288 175.837 175.510 0.066 0.000 1.344 593 N CA -0.285 52.815 53.050 0.083 0.000 0.914 593 N CB 0.180 38.698 38.487 0.052 0.000 1.101 593 N HN 0.025 nan 8.380 nan 0.000 0.527 594 N N -0.095 118.629 118.700 0.040 0.000 2.823 594 N HA 0.537 5.277 4.740 -0.000 0.000 0.324 594 N C -0.555 174.965 175.510 0.018 0.000 1.336 594 N CA -0.325 52.746 53.050 0.036 0.000 0.861 594 N CB 0.942 39.448 38.487 0.031 0.000 1.157 594 N HN 0.330 nan 8.380 nan 0.000 0.585 595 I N -0.060 120.517 120.570 0.012 0.000 2.569 595 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 595 I C -0.324 175.784 176.117 -0.016 0.000 1.088 595 I CA -0.606 60.686 61.300 -0.014 0.000 1.047 595 I CB 2.192 40.187 38.000 -0.010 0.000 1.237 595 I HN 0.254 nan 8.210 nan 0.000 0.421 596 S N 5.251 120.929 115.700 -0.036 0.000 2.423 596 S HA 0.279 4.749 4.470 -0.000 0.000 0.302 596 S C -0.443 174.139 174.600 -0.031 0.000 1.143 596 S CA -0.042 58.139 58.200 -0.031 0.000 1.080 596 S CB -0.331 62.846 63.200 -0.039 0.000 1.081 596 S HN 0.471 nan 8.310 nan 0.000 0.522 597 K N 3.560 123.958 120.400 -0.004 0.000 2.601 597 K HA 0.345 4.665 4.320 -0.000 0.000 0.249 597 K C -0.887 175.722 176.600 0.016 0.000 0.966 597 K CA -0.272 56.030 56.287 0.024 0.000 0.827 597 K CB 1.329 33.868 32.500 0.064 0.000 1.178 597 K HN 0.378 nan 8.250 nan 0.000 0.437 598 T N 5.306 119.855 114.554 -0.008 0.000 2.737 598 T HA 0.262 4.611 4.350 -0.000 0.000 0.296 598 T C 0.288 174.921 174.700 -0.113 0.000 0.922 598 T CA -0.404 61.666 62.100 -0.050 0.000 1.079 598 T CB 0.044 68.867 68.868 -0.074 0.000 0.892 598 T HN 0.339 nan 8.240 nan 0.000 0.514 599 I N 4.517 125.042 120.570 -0.074 0.000 2.357 599 I HA 0.119 4.289 4.170 -0.000 0.000 0.300 599 I C 0.678 176.676 176.117 -0.198 0.000 1.159 599 I CA -0.495 60.732 61.300 -0.122 0.000 1.339 599 I CB -1.569 36.453 38.000 0.035 0.000 1.458 599 I HN 0.541 nan 8.210 nan 0.000 0.577 600 N N 7.133 125.558 118.700 -0.458 0.000 2.492 600 N HA 0.365 5.105 4.740 -0.000 0.000 0.262 600 N C -0.223 175.225 175.510 -0.104 0.000 1.202 600 N CA 0.247 53.144 53.050 -0.256 0.000 0.926 600 N CB 0.876 39.209 38.487 -0.257 0.000 1.078 600 N HN 0.445 nan 8.380 nan 0.000 0.454 601 M N 2.409 121.990 119.600 -0.031 0.000 2.457 601 M HA 0.445 4.925 4.480 -0.000 0.000 0.300 601 M C -2.521 173.786 176.300 0.011 0.000 1.141 601 M CA -1.990 53.317 55.300 0.011 0.000 0.901 601 M CB 2.542 35.147 32.600 0.009 0.000 1.687 601 M HN 0.296 nan 8.290 nan 0.000 0.449 602 P HA 0.067 nan 4.420 nan 0.000 0.272 602 P C -0.295 177.008 177.300 0.004 0.000 1.230 602 P CA 0.009 63.123 63.100 0.024 0.000 0.788 602 P CB 0.875 32.598 31.700 0.038 0.000 0.949 603 Q N 1.373 121.168 119.800 -0.009 0.000 2.170 603 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 603 Q C 1.630 177.638 176.000 0.013 0.000 0.976 603 Q CA 2.005 57.783 55.803 -0.041 0.000 0.858 603 Q CB -0.294 28.425 28.738 -0.032 0.000 0.907 603 Q HN 0.554 nan 8.270 nan 0.000 0.433 604 S N -0.650 115.083 115.700 0.055 0.000 2.660 604 S HA 0.266 4.736 4.470 -0.000 0.000 0.223 604 S C 0.558 175.245 174.600 0.146 0.000 0.963 604 S CA -0.001 58.259 58.200 0.100 0.000 0.932 604 S CB 0.077 63.319 63.200 0.069 0.000 0.775 604 S HN 0.401 nan 8.310 nan 0.000 0.531 605 A N 2.427 125.346 122.820 0.164 0.000 2.445 605 A HA 0.522 4.841 4.320 -0.000 0.000 0.242 605 A C 0.838 178.672 177.584 0.417 0.000 1.075 605 A CA -0.110 52.056 52.037 0.216 0.000 0.777 605 A CB 0.030 19.131 19.000 0.170 0.000 1.013 605 A HN 0.560 nan 8.150 nan 0.000 0.493 606 T N -1.001 113.703 114.554 0.250 0.000 2.936 606 T HA 0.418 4.768 4.350 -0.000 0.000 0.282 606 T C 1.131 175.811 174.700 -0.034 0.000 1.003 606 T CA -0.167 61.984 62.100 0.086 0.000 1.005 606 T CB 0.960 69.818 68.868 -0.017 0.000 1.097 606 T HN 0.410 nan 8.240 nan 0.000 0.532 607 V N 1.203 120.851 119.914 -0.444 0.000 2.380 607 V HA -0.178 3.942 4.120 -0.000 0.000 0.251 607 V C 2.394 178.429 176.094 -0.098 0.000 1.063 607 V CA 2.148 64.273 62.300 -0.290 0.000 1.055 607 V CB -0.842 30.747 31.823 -0.390 0.000 0.657 607 V HN 0.867 nan 8.190 nan 0.000 0.455 608 D N -0.092 120.260 120.400 -0.079 0.000 2.144 608 D HA -0.160 4.479 4.640 -0.000 0.000 0.199 608 D C 1.902 178.195 176.300 -0.011 0.000 0.984 608 D CA 1.329 55.316 54.000 -0.021 0.000 0.834 608 D CB -0.356 40.437 40.800 -0.011 0.000 0.955 608 D HN 0.443 nan 8.370 nan 0.000 0.465 609 D N 0.254 120.657 120.400 0.005 0.000 2.117 609 D HA -0.104 4.535 4.640 -0.000 0.000 0.197 609 D C 2.343 178.627 176.300 -0.027 0.000 0.987 609 D CA 0.452 54.464 54.000 0.018 0.000 0.829 609 D CB -0.241 40.597 40.800 0.064 0.000 0.961 609 D HN 0.090 nan 8.370 nan 0.000 0.460 610 V N 1.322 121.203 119.914 -0.055 0.000 2.255 610 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 610 V C 2.766 178.565 176.094 -0.491 0.000 1.051 610 V CA 1.189 63.339 62.300 -0.249 0.000 1.018 610 V CB -0.627 31.080 31.823 -0.193 0.000 0.641 610 V HN 0.193 nan 8.190 nan 0.000 0.445 611 L N 0.386 121.452 121.223 -0.261 0.000 2.051 611 L HA -0.269 4.071 4.340 -0.000 0.000 0.214 611 L C 2.506 179.354 176.870 -0.038 0.000 1.076 611 L CA 1.872 56.668 54.840 -0.073 0.000 0.758 611 L CB -0.763 41.349 42.059 0.089 0.000 0.890 611 L HN 0.426 nan 8.230 nan 0.000 0.433 612 N N -0.656 118.019 118.700 -0.042 0.000 2.188 612 N HA -0.125 4.614 4.740 -0.000 0.000 0.184 612 N C 1.823 177.336 175.510 0.005 0.000 1.018 612 N CA 1.076 54.116 53.050 -0.018 0.000 0.858 612 N CB -0.405 38.081 38.487 -0.001 0.000 0.989 612 N HN 0.126 nan 8.380 nan 0.000 0.426 613 V N 0.940 120.848 119.914 -0.011 0.000 2.295 613 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 613 V C 1.886 178.097 176.094 0.195 0.000 1.049 613 V CA 1.348 63.684 62.300 0.060 0.000 1.024 613 V CB -0.725 31.118 31.823 0.033 0.000 0.648 613 V HN 0.190 nan 8.190 nan 0.000 0.447 614 Y N 0.186 120.548 120.300 0.103 0.000 2.128 614 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 614 Y C 2.349 178.275 175.900 0.044 0.000 1.154 614 Y CA 0.959 59.146 58.100 0.145 0.000 1.149 614 Y CB -1.199 37.414 38.460 0.255 0.000 0.976 614 Y HN 0.181 nan 8.280 nan 0.000 0.505 615 L N -0.548 120.726 121.223 0.085 0.000 2.046 615 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 615 L C 2.482 179.323 176.870 -0.048 0.000 1.077 615 L CA 1.716 56.484 54.840 -0.119 0.000 0.747 615 L CB -0.538 41.380 42.059 -0.236 0.000 0.896 615 L HN 0.090 nan 8.230 nan 0.000 0.432 616 E N 0.733 120.942 120.200 0.014 0.000 2.077 616 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 616 E C 2.132 178.761 176.600 0.049 0.000 0.989 616 E CA 1.512 57.929 56.400 0.027 0.000 0.800 616 E CB -0.162 29.567 29.700 0.049 0.000 0.746 616 E HN 0.353 nan 8.360 nan 0.000 0.452 617 A N 0.557 123.445 122.820 0.114 0.000 1.917 617 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 617 A C 2.334 179.942 177.584 0.040 0.000 1.182 617 A CA 1.700 53.836 52.037 0.165 0.000 0.633 617 A CB -0.867 18.328 19.000 0.324 0.000 0.819 617 A HN 0.374 nan 8.150 nan 0.000 0.448 618 L N -1.383 119.798 121.223 -0.070 0.000 2.201 618 L HA -0.133 4.206 4.340 -0.000 0.000 0.212 618 L C 2.716 179.474 176.870 -0.187 0.000 1.105 618 L CA 1.053 55.732 54.840 -0.269 0.000 0.775 618 L CB -0.303 41.592 42.059 -0.272 0.000 0.913 618 L HN 0.379 nan 8.230 nan 0.000 0.440 619 R N -0.894 119.547 120.500 -0.098 0.000 2.210 619 R HA 0.008 4.348 4.340 -0.000 0.000 0.203 619 R C 1.354 177.630 176.300 -0.040 0.000 1.010 619 R CA 0.890 56.949 56.100 -0.067 0.000 1.008 619 R CB -0.186 30.087 30.300 -0.045 0.000 0.923 619 R HN 0.419 nan 8.270 nan 0.000 0.469 620 T N -1.537 113.007 114.554 -0.018 0.000 2.891 620 T HA 0.152 4.502 4.350 -0.000 0.000 0.294 620 T C 0.844 175.548 174.700 0.007 0.000 1.065 620 T CA -0.636 61.469 62.100 0.009 0.000 0.936 620 T CB 0.756 69.651 68.868 0.045 0.000 1.415 620 T HN -0.084 nan 8.240 nan 0.000 0.572 621 N N 0.344 119.061 118.700 0.029 0.000 2.203 621 N HA 0.162 4.902 4.740 -0.000 0.000 0.207 621 N C 0.553 176.110 175.510 0.078 0.000 1.130 621 N CA 0.020 53.093 53.050 0.038 0.000 0.861 621 N CB 0.389 38.877 38.487 0.001 0.000 1.005 621 N HN 0.666 nan 8.380 nan 0.000 0.507 622 V N -0.135 119.846 119.914 0.113 0.000 2.901 622 V HA 0.099 4.219 4.120 -0.000 0.000 0.307 622 V C 1.102 177.361 176.094 0.274 0.000 1.084 622 V CA -0.031 62.372 62.300 0.171 0.000 1.184 622 V CB 0.841 32.780 31.823 0.193 0.000 0.941 622 V HN -0.026 nan 8.190 nan 0.000 0.493 623 R N 2.554 123.200 120.500 0.243 0.000 2.362 623 R HA 0.507 4.847 4.340 -0.000 0.000 0.227 623 R C 0.670 177.083 176.300 0.189 0.000 0.905 623 R CA 0.645 56.916 56.100 0.285 0.000 1.067 623 R CB 0.775 31.180 30.300 0.176 0.000 1.078 623 R HN 1.151 nan 8.270 nan 0.000 0.516 624 G N -0.519 108.314 108.800 0.054 0.000 2.489 624 G HA2 0.391 4.351 3.960 -0.000 0.000 0.291 624 G HA3 0.391 4.351 3.960 -0.000 0.000 0.291 624 G C -1.890 172.920 174.900 -0.150 0.000 1.487 624 G CA -0.592 44.360 45.100 -0.246 0.000 0.795 624 G HN -0.100 nan 8.290 nan 0.000 0.513 625 I N 0.820 121.265 120.570 -0.209 0.000 2.533 625 I HA 0.531 4.701 4.170 -0.000 0.000 0.290 625 I C -0.496 175.616 176.117 -0.008 0.000 1.056 625 I CA -0.542 60.730 61.300 -0.047 0.000 1.057 625 I CB 1.908 39.911 38.000 0.004 0.000 1.240 625 I HN 0.417 nan 8.210 nan 0.000 0.423 626 T N 5.598 120.174 114.554 0.038 0.000 2.841 626 T HA 0.617 4.967 4.350 -0.000 0.000 0.285 626 T C 0.000 174.734 174.700 0.057 0.000 0.991 626 T CA -0.483 61.640 62.100 0.038 0.000 0.966 626 T CB 2.241 71.111 68.868 0.004 0.000 0.962 626 T HN 0.460 nan 8.240 nan 0.000 0.438 630 D N 2.297 122.652 120.400 -0.075 0.000 2.488 630 D HA 0.232 4.872 4.640 -0.000 0.000 0.238 630 D C 1.342 177.587 176.300 -0.092 0.000 1.138 630 D CA 2.607 56.587 54.000 -0.034 0.000 0.873 630 D CB 0.823 41.644 40.800 0.035 0.000 1.183 630 D HN 0.745 nan 8.370 nan 0.000 0.458 631 G N 2.223 110.975 108.800 -0.080 0.000 2.205 631 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.261 631 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.261 631 G C 1.242 176.047 174.900 -0.159 0.000 0.980 631 G CA 1.192 46.231 45.100 -0.102 0.000 0.632 631 G HN 0.841 nan 8.290 nan 0.000 0.533 632 S N -0.622 114.952 115.700 -0.210 0.000 2.371 632 S HA 0.399 4.869 4.470 -0.000 0.000 0.224 632 S C 1.447 175.949 174.600 -0.164 0.000 1.029 632 S CA 0.909 58.957 58.200 -0.254 0.000 0.978 632 S CB 0.132 63.123 63.200 -0.349 0.000 0.833 632 S HN 0.552 nan 8.310 nan 0.000 0.466 633 L N 0.000 121.143 121.223 -0.133 0.000 2.949 633 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 633 L CA 0.000 54.777 54.840 -0.106 0.000 0.813 633 L CB 0.000 41.996 42.059 -0.105 0.000 0.961 633 L HN 0.000 nan 8.230 nan 0.000 0.502