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 1gin_1_A DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.912 174.900 0.020 0.000 0.946 1 G CA 0.000 45.115 45.100 0.025 0.000 0.502 2 N N -0.865 117.895 118.700 0.099 0.000 2.244 2 N HA -0.184 nan 4.740 nan 0.000 0.183 2 N C -0.705 174.958 175.510 0.256 0.000 1.016 2 N CA 1.280 54.434 53.050 0.173 0.000 0.866 2 N CB 0.602 39.246 38.487 0.263 0.000 0.980 2 N HN 0.083 8.571 8.380 0.124 -0.034 0.430 3 N N -0.947 117.887 118.700 0.223 0.000 2.511 3 N HA 0.355 nan 4.740 nan 0.000 0.249 3 N C -2.029 173.596 175.510 0.193 0.000 0.971 3 N CA -0.130 53.098 53.050 0.297 0.000 0.938 3 N CB 1.478 40.165 38.487 0.334 0.000 1.131 3 N HN 0.077 9.062 8.380 0.177 -0.499 0.505 4 V N 5.477 125.482 119.914 0.151 0.000 2.459 4 V HA 0.668 nan 4.120 nan 0.000 0.295 4 V C -1.292 174.899 176.094 0.161 0.000 1.029 4 V CA -0.937 61.362 62.300 -0.001 0.000 0.874 4 V CB 1.823 33.362 31.823 -0.474 0.000 0.985 4 V HN 0.261 8.595 8.190 0.240 0.000 0.438 5 V N 7.799 127.785 119.914 0.120 0.000 2.532 5 V HA 0.704 nan 4.120 nan 0.000 0.295 5 V C -1.388 174.772 176.094 0.111 0.000 1.041 5 V CA -1.104 61.276 62.300 0.134 0.000 0.926 5 V CB 1.887 33.691 31.823 -0.032 0.000 0.992 5 V HN 0.862 9.100 8.190 0.080 0.000 0.457 6 V N 5.765 125.769 119.914 0.150 0.000 2.483 6 V HA 0.875 nan 4.120 nan 0.000 0.297 6 V C -1.816 174.357 176.094 0.131 0.000 1.027 6 V CA -0.817 61.548 62.300 0.108 0.000 0.855 6 V CB 1.033 32.902 31.823 0.078 0.000 0.995 6 V HN 0.566 8.892 8.190 0.227 0.000 0.424 7 L N 2.294 123.575 121.223 0.096 0.000 2.397 7 L HA 1.007 nan 4.340 nan 0.000 0.251 7 L C -1.924 174.980 176.870 0.056 0.000 1.064 7 L CA -1.816 53.083 54.840 0.098 0.000 0.859 7 L CB 3.543 45.684 42.059 0.136 0.000 1.468 7 L HN 0.713 8.988 8.230 0.075 0.000 0.411 8 G N -2.694 106.130 108.800 0.040 0.000 2.353 8 G HA2 0.261 nan 3.960 nan 0.000 0.284 8 G HA3 0.261 nan 3.960 nan 0.000 0.284 8 G C -0.410 174.487 174.900 -0.005 0.000 1.172 8 G CA -0.638 44.470 45.100 0.013 0.000 0.854 8 G HN 0.405 8.726 8.290 0.051 0.000 0.485 9 T N -0.177 114.374 114.554 -0.005 0.000 3.107 9 T HA 0.159 nan 4.350 nan 0.000 0.249 9 T C 0.284 174.900 174.700 -0.139 0.000 1.096 9 T CA 0.689 62.779 62.100 -0.018 0.000 1.012 9 T CB -0.242 68.683 68.868 0.094 0.000 0.977 9 T HN 0.079 8.323 8.240 0.005 0.000 0.527 10 Q N -0.252 119.436 119.800 -0.186 0.000 3.074 10 Q HA 0.285 nan 4.340 nan 0.000 0.208 10 Q C -0.452 175.239 176.000 -0.515 0.000 1.167 10 Q CA 0.193 55.754 55.803 -0.403 0.000 0.323 10 Q CB 2.435 31.090 28.738 -0.139 0.000 5.787 10 Q HN -0.438 7.985 8.270 -0.109 -0.218 0.307 11 W N -1.633 119.615 121.300 -0.088 0.000 2.570 11 W HA 0.233 nan 4.660 nan 0.000 0.410 11 W C -0.418 176.052 176.519 -0.081 0.000 0.889 11 W CA -0.719 56.561 57.345 -0.109 0.000 2.386 11 W CB 0.376 29.714 29.460 -0.204 0.000 1.228 11 W HN 0.394 8.716 8.180 0.238 0.000 0.692 12 G N -0.246 108.609 108.800 0.092 0.000 2.828 12 G HA2 -0.401 nan 3.960 nan 0.000 0.463 12 G HA3 -0.401 nan 3.960 nan 0.000 0.463 12 G C -1.655 173.281 174.900 0.059 0.000 1.394 12 G CA -0.294 44.848 45.100 0.071 0.000 0.862 12 G HN -0.338 8.149 8.290 0.032 -0.179 0.540 13 D N -4.120 116.310 120.400 0.050 0.000 2.983 13 D HA -0.425 nan 4.640 nan 0.000 0.225 13 D C 0.685 176.979 176.300 -0.009 0.000 1.174 13 D CA 1.922 55.941 54.000 0.032 0.000 0.831 13 D CB -1.231 39.588 40.800 0.032 0.000 1.104 13 D HN 0.488 8.898 8.370 0.068 0.000 0.421 14 E N -1.071 119.117 120.200 -0.022 0.000 2.230 14 E HA -0.118 nan 4.350 nan 0.000 0.192 14 E C 0.463 177.031 176.600 -0.053 0.000 0.987 14 E CA 1.840 58.207 56.400 -0.054 0.000 0.841 14 E CB 0.254 29.928 29.700 -0.043 0.000 0.783 14 E HN 0.225 8.536 8.360 -0.008 0.044 0.481 15 G N -4.566 104.203 108.800 -0.051 0.000 2.330 15 G HA2 -0.300 nan 3.960 nan 0.000 0.125 15 G HA3 -0.300 nan 3.960 nan 0.000 0.125 15 G C 0.302 175.148 174.900 -0.090 0.000 1.060 15 G CA -0.101 44.965 45.100 -0.057 0.000 0.743 15 G HN -0.099 8.132 8.290 -0.052 0.027 0.480 16 K N 1.430 121.735 120.400 -0.159 0.000 1.985 16 K HA -0.221 nan 4.320 nan 0.000 0.210 16 K C 2.075 178.541 176.600 -0.224 0.000 1.047 16 K CA 3.470 59.640 56.287 -0.196 0.000 0.932 16 K CB -0.283 32.043 32.500 -0.290 0.000 0.716 16 K HN 0.168 8.319 8.250 -0.165 0.000 0.439 17 G N -1.037 107.529 108.800 -0.391 0.000 2.719 17 G HA2 -0.479 nan 3.960 nan 0.000 0.219 17 G HA3 -0.479 nan 3.960 nan 0.000 0.219 17 G C 0.859 175.715 174.900 -0.072 0.000 1.234 17 G CA 2.267 47.240 45.100 -0.211 0.000 0.788 17 G HN 0.238 8.150 8.290 -0.631 0.000 0.619 18 K N 1.777 122.147 120.400 -0.050 0.000 2.015 18 K HA -0.382 nan 4.320 nan 0.000 0.220 18 K C 2.242 178.833 176.600 -0.016 0.000 1.055 18 K CA 2.852 59.128 56.287 -0.019 0.000 0.951 18 K CB -0.235 32.258 32.500 -0.012 0.000 0.725 18 K HN -0.317 7.897 8.250 -0.060 0.000 0.449 19 I N -1.367 119.188 120.570 -0.025 0.000 2.151 19 I HA -0.466 nan 4.170 nan 0.000 0.243 19 I C 2.254 178.370 176.117 -0.002 0.000 1.080 19 I CA 3.335 64.628 61.300 -0.012 0.000 1.339 19 I CB -0.417 37.577 38.000 -0.011 0.000 1.039 19 I HN -0.707 7.481 8.210 -0.038 0.000 0.409 20 V N -0.606 119.303 119.914 -0.007 0.000 2.295 20 V HA -0.558 nan 4.120 nan 0.000 0.246 20 V C 2.090 178.208 176.094 0.040 0.000 1.049 20 V CA 4.529 66.843 62.300 0.022 0.000 1.024 20 V CB -1.131 30.710 31.823 0.029 0.000 0.648 20 V HN 0.427 8.488 8.190 -0.033 0.109 0.447 21 D N -0.021 120.397 120.400 0.029 0.000 2.092 21 D HA -0.302 nan 4.640 nan 0.000 0.193 21 D C 2.229 178.553 176.300 0.039 0.000 0.994 21 D CA 3.380 57.401 54.000 0.036 0.000 0.828 21 D CB 0.240 41.057 40.800 0.028 0.000 0.963 21 D HN -0.176 8.201 8.370 0.012 0.000 0.450 22 L N -0.914 120.327 121.223 0.029 0.000 2.127 22 L HA -0.268 nan 4.340 nan 0.000 0.211 22 L C 1.829 178.731 176.870 0.052 0.000 1.089 22 L CA 2.916 57.775 54.840 0.031 0.000 0.757 22 L CB 0.018 42.087 42.059 0.018 0.000 0.899 22 L HN -0.288 7.954 8.230 0.020 0.000 0.434 23 L N -4.753 116.509 121.223 0.064 0.000 2.418 23 L HA -0.142 nan 4.340 nan 0.000 0.218 23 L C 1.408 178.408 176.870 0.217 0.000 1.125 23 L CA 1.856 56.764 54.840 0.114 0.000 0.835 23 L CB -0.435 41.654 42.059 0.050 0.000 0.953 23 L HN -0.301 7.842 8.230 0.048 0.116 0.454 24 T N -4.835 109.813 114.554 0.157 0.000 3.317 24 T HA -0.006 nan 4.350 nan 0.000 0.250 24 T C 1.440 176.193 174.700 0.087 0.000 1.106 24 T CA 0.546 62.740 62.100 0.156 0.000 0.986 24 T CB -1.434 67.500 68.868 0.110 0.000 1.010 24 T HN -0.323 7.981 8.240 0.108 0.000 0.560 25 E N 3.153 123.403 120.200 0.085 0.000 2.153 25 E HA -0.222 nan 4.350 nan 0.000 0.194 25 E C 0.993 177.601 176.600 0.013 0.000 0.988 25 E CA 2.449 58.873 56.400 0.040 0.000 0.811 25 E CB -0.033 29.694 29.700 0.044 0.000 0.746 25 E HN -0.065 8.262 8.360 0.110 0.099 0.466 26 R N -3.440 117.077 120.500 0.028 0.000 2.507 26 R HA 0.105 nan 4.340 nan 0.000 0.298 26 R C -1.401 174.838 176.300 -0.103 0.000 0.999 26 R CA -0.934 55.140 56.100 -0.042 0.000 1.082 26 R CB 0.481 30.794 30.300 0.022 0.000 1.246 26 R HN -0.703 7.611 8.270 0.094 0.013 0.553 27 A N -2.023 120.765 122.820 -0.053 0.000 2.324 27 A HA 0.247 nan 4.320 nan 0.000 0.330 27 A C -0.552 176.980 177.584 -0.086 0.000 1.165 27 A CA -1.087 50.934 52.037 -0.025 0.000 0.813 27 A CB 1.801 20.892 19.000 0.151 0.000 1.197 27 A HN -0.438 7.532 8.150 -0.003 0.179 0.484 28 K N 0.783 121.098 120.400 -0.142 0.000 2.099 28 K HA 0.069 nan 4.320 nan 0.000 0.203 28 K C -0.189 176.084 176.600 -0.544 0.000 1.047 28 K CA 1.993 58.041 56.287 -0.398 0.000 0.963 28 K CB 1.507 33.694 32.500 -0.522 0.000 0.759 28 K HN 0.366 8.484 8.250 -0.043 0.106 0.451 29 Y N -4.701 115.600 120.300 0.002 0.000 2.562 29 Y HA 0.518 nan 4.550 nan 0.000 0.343 29 Y C -1.286 174.594 175.900 -0.034 0.000 1.025 29 Y CA -1.147 56.939 58.100 -0.024 0.000 1.082 29 Y CB 3.403 41.832 38.460 -0.053 0.000 1.264 29 Y HN -0.622 7.678 8.280 0.034 0.000 0.478 30 V N 0.490 120.481 119.914 0.128 0.000 2.525 30 V HA 0.586 nan 4.120 nan 0.000 0.299 30 V C -1.812 174.297 176.094 0.026 0.000 1.034 30 V CA -0.498 61.836 62.300 0.056 0.000 0.863 30 V CB 1.913 33.782 31.823 0.077 0.000 0.999 30 V HN 0.392 8.681 8.190 0.165 0.000 0.423 31 V N 7.822 127.699 119.914 -0.062 0.000 2.448 31 V HA 0.654 nan 4.120 nan 0.000 0.295 31 V C -0.939 175.263 176.094 0.181 0.000 1.025 31 V CA -1.730 60.571 62.300 0.002 0.000 0.859 31 V CB 2.001 33.738 31.823 -0.143 0.000 0.988 31 V HN 1.274 9.261 8.190 -0.151 0.112 0.431 32 R N 7.006 127.608 120.500 0.170 0.000 2.265 32 R HA 0.393 nan 4.340 nan 0.000 0.314 32 R C -0.214 176.216 176.300 0.217 0.000 1.053 32 R CA -1.858 54.337 56.100 0.157 0.000 0.931 32 R CB 0.684 31.034 30.300 0.084 0.000 1.024 32 R HN 0.621 8.965 8.270 0.124 0.000 0.457 33 Y N 0.883 121.289 120.300 0.177 0.000 2.445 33 Y HA 0.166 nan 4.550 nan 0.000 0.247 33 Y C -1.829 174.163 175.900 0.152 0.000 1.129 33 Y CA -1.804 56.401 58.100 0.175 0.000 1.251 33 Y CB 1.104 39.694 38.460 0.217 0.000 1.176 33 Y HN -0.017 8.196 8.280 -0.111 0.000 0.522 34 Q N -5.443 114.198 119.800 -0.265 0.000 2.590 34 Q HA 0.191 nan 4.340 nan 0.000 0.295 34 Q C -0.502 175.479 176.000 -0.030 0.000 0.973 34 Q CA -0.939 54.817 55.803 -0.078 0.000 0.768 34 Q CB 2.525 31.209 28.738 -0.090 0.000 1.479 34 Q HN -0.757 7.265 8.270 -0.414 0.000 0.419 35 G N 0.659 109.536 108.800 0.129 0.000 2.553 35 G HA2 -0.454 nan 3.960 nan 0.000 0.242 35 G HA3 -0.454 nan 3.960 nan 0.000 0.242 35 G C -1.969 172.986 174.900 0.091 0.000 1.277 35 G CA 0.026 45.203 45.100 0.129 0.000 0.910 35 G HN -0.018 8.438 8.290 0.276 0.000 0.576 36 G N -0.223 108.605 108.800 0.047 0.000 2.894 36 G HA2 0.413 nan 3.960 nan 0.000 0.164 36 G HA3 0.413 nan 3.960 nan 0.000 0.164 36 G C -0.908 174.042 174.900 0.084 0.000 1.180 36 G CA 0.962 46.103 45.100 0.069 0.000 0.997 36 G HN -0.019 8.575 8.290 0.024 -0.290 0.572 37 H N -0.176 118.879 119.070 -0.025 0.000 2.592 37 H HA 0.105 nan 4.556 nan 0.000 0.291 37 H C -0.175 175.162 175.328 0.014 0.000 1.052 37 H CA -0.273 55.772 56.048 -0.006 0.000 1.175 37 H CB -0.778 28.958 29.762 -0.044 0.000 1.378 37 H HN 0.442 8.955 8.280 0.389 0.000 0.576 38 N N -0.848 117.743 118.700 -0.182 0.000 2.416 38 N HA -0.148 nan 4.740 nan 0.000 0.177 38 N C -0.168 175.328 175.510 -0.023 0.000 1.036 38 N CA 0.296 53.264 53.050 -0.137 0.000 0.901 38 N CB -0.962 37.453 38.487 -0.118 0.000 0.976 38 N HN -0.139 8.066 8.380 -0.134 0.095 0.444 39 A N 0.665 123.462 122.820 -0.038 0.000 2.425 39 A HA 0.102 nan 4.320 nan 0.000 0.249 39 A C -1.022 176.465 177.584 -0.163 0.000 1.084 39 A CA 0.592 52.558 52.037 -0.119 0.000 0.781 39 A CB 0.600 19.438 19.000 -0.270 0.000 1.019 39 A HN -0.928 7.164 8.150 -0.045 0.031 0.490 40 G N 1.598 110.290 108.800 -0.181 0.000 2.782 40 G HA2 0.357 nan 3.960 nan 0.000 0.289 40 G HA3 0.357 nan 3.960 nan 0.000 0.289 40 G C -1.641 173.188 174.900 -0.118 0.000 1.463 40 G CA -0.470 44.445 45.100 -0.309 0.000 1.019 40 G HN -0.021 8.233 8.290 -0.060 0.000 0.536 41 H N 3.090 122.017 119.070 -0.239 0.000 2.595 41 H HA 0.304 nan 4.556 nan 0.000 0.346 41 H C -1.005 174.258 175.328 -0.109 0.000 1.181 41 H CA -2.309 53.668 56.048 -0.119 0.000 1.242 41 H CB 3.675 33.389 29.762 -0.080 0.000 1.652 41 H HN 0.497 8.503 8.280 -0.457 0.000 0.548 42 T N 2.445 117.047 114.554 0.081 0.000 3.050 42 T HA 0.220 nan 4.350 nan 0.000 0.310 42 T C -1.305 173.417 174.700 0.038 0.000 0.978 42 T CA -0.694 61.431 62.100 0.042 0.000 1.013 42 T CB 0.764 69.658 68.868 0.044 0.000 1.000 42 T HN 0.050 8.337 8.240 0.078 0.000 0.447 43 L N 7.697 128.941 121.223 0.036 0.000 2.322 43 L HA 0.482 nan 4.340 nan 0.000 0.279 43 L C -1.762 175.128 176.870 0.032 0.000 1.036 43 L CA -0.994 53.864 54.840 0.031 0.000 0.807 43 L CB 2.585 44.663 42.059 0.032 0.000 1.226 43 L HN 1.063 9.205 8.230 0.035 0.109 0.433 44 V N 3.443 123.376 119.914 0.031 0.000 2.482 44 V HA 0.572 nan 4.120 nan 0.000 0.295 44 V C -1.869 174.243 176.094 0.030 0.000 1.026 44 V CA -0.595 61.726 62.300 0.035 0.000 0.856 44 V CB 1.907 33.757 31.823 0.044 0.000 1.001 44 V HN 0.530 8.736 8.190 0.027 0.000 0.424 45 I N 7.633 128.220 120.570 0.029 0.000 2.439 45 I HA 0.323 nan 4.170 nan 0.000 0.285 45 I C -0.882 175.250 176.117 0.026 0.000 1.021 45 I CA -0.984 60.331 61.300 0.025 0.000 1.091 45 I CB 2.707 40.720 38.000 0.022 0.000 1.242 45 I HN 1.282 9.393 8.210 0.030 0.116 0.439 46 N N 9.510 128.227 118.700 0.027 0.000 2.735 46 N HA -0.386 nan 4.740 nan 0.000 0.248 46 N C 0.473 176.003 175.510 0.033 0.000 1.083 46 N CA 0.918 53.985 53.050 0.028 0.000 0.703 46 N CB -1.695 36.805 38.487 0.023 0.000 1.005 46 N HN 1.011 9.492 8.380 0.026 -0.085 0.550 47 G N -4.581 104.243 108.800 0.040 0.000 2.220 47 G HA2 -0.561 nan 3.960 nan 0.000 0.269 47 G HA3 -0.561 nan 3.960 nan 0.000 0.269 47 G C -0.930 173.992 174.900 0.035 0.000 0.977 47 G CA 0.294 45.419 45.100 0.043 0.000 0.634 47 G HN -0.083 8.520 8.290 0.043 -0.287 0.539 48 E N 1.398 121.616 120.200 0.030 0.000 2.316 48 E HA -0.021 nan 4.350 nan 0.000 0.275 48 E C -1.320 175.298 176.600 0.030 0.000 1.029 48 E CA -0.034 56.382 56.400 0.027 0.000 0.871 48 E CB 1.166 30.880 29.700 0.023 0.000 1.022 48 E HN 0.020 8.189 8.360 0.029 0.208 0.418 49 K N 4.118 124.536 120.400 0.030 0.000 2.221 49 K HA 0.561 nan 4.320 nan 0.000 0.258 49 K C -1.114 175.506 176.600 0.032 0.000 0.944 49 K CA -1.053 55.254 56.287 0.033 0.000 0.823 49 K CB 2.186 34.707 32.500 0.035 0.000 1.113 49 K HN 0.140 8.407 8.250 0.028 0.000 0.431 50 T N 6.092 120.666 114.554 0.033 0.000 2.881 50 T HA 0.286 nan 4.350 nan 0.000 0.290 50 T C -2.452 172.265 174.700 0.029 0.000 1.000 50 T CA -0.532 61.588 62.100 0.034 0.000 0.978 50 T CB 3.033 71.921 68.868 0.033 0.000 0.997 50 T HN 0.746 9.006 8.240 0.033 0.000 0.443 51 V N 6.737 126.667 119.914 0.027 0.000 2.326 51 V HA 0.467 nan 4.120 nan 0.000 0.281 51 V C -0.893 175.161 176.094 -0.066 0.000 1.015 51 V CA -0.977 61.310 62.300 -0.021 0.000 0.823 51 V CB -0.191 31.638 31.823 0.010 0.000 1.009 51 V HN 0.329 8.546 8.190 0.044 0.000 0.436 52 L N 5.063 126.216 121.223 -0.116 0.000 2.431 52 L HA 0.458 nan 4.340 nan 0.000 0.260 52 L C -0.345 176.284 176.870 -0.401 0.000 1.098 52 L CA -0.776 54.008 54.840 -0.095 0.000 0.800 52 L CB 1.522 43.583 42.059 0.004 0.000 1.210 52 L HN 0.270 8.456 8.230 -0.074 0.000 0.465 53 H N -1.901 117.129 119.070 -0.067 0.000 1.985 53 H HA 0.241 nan 4.556 nan 0.000 0.159 53 H C 1.561 176.830 175.328 -0.099 0.000 1.010 53 H CA 1.997 57.975 56.048 -0.117 0.000 1.075 53 H CB 2.608 32.357 29.762 -0.021 0.000 0.963 53 H HN 0.637 9.447 8.280 0.104 -0.468 0.330 54 L N -0.429 120.873 121.223 0.132 0.000 2.202 54 L HA 0.093 nan 4.340 nan 0.000 0.205 54 L C 0.040 176.935 176.870 0.043 0.000 1.083 54 L CA 0.327 55.209 54.840 0.071 0.000 0.790 54 L CB 1.049 43.140 42.059 0.054 0.000 0.942 54 L HN -0.577 8.171 8.230 0.183 -0.409 0.452 55 I N -0.022 120.577 120.570 0.048 0.000 2.533 55 I HA -0.048 nan 4.170 nan 0.000 0.284 55 I C -1.929 174.224 176.117 0.061 0.000 1.109 55 I CA -1.081 60.248 61.300 0.047 0.000 1.412 55 I CB -0.668 37.359 38.000 0.045 0.000 1.396 55 I HN -0.493 8.103 8.210 0.062 -0.349 0.543 56 P HA -0.093 nan 4.420 nan 0.000 0.267 56 P C -0.404 176.953 177.300 0.095 0.000 1.201 56 P CA 0.461 63.617 63.100 0.093 0.000 0.775 56 P CB 0.593 32.344 31.700 0.086 0.000 0.854 57 S N 2.942 118.713 115.700 0.117 0.000 2.603 57 S HA -0.124 nan 4.470 nan 0.000 0.229 57 S C 1.096 175.737 174.600 0.069 0.000 0.972 57 S CA 2.735 60.994 58.200 0.098 0.000 0.935 57 S CB -0.102 63.156 63.200 0.096 0.000 0.769 57 S HN 0.864 9.854 8.310 0.137 -0.599 0.536 58 G N -0.026 108.814 108.800 0.067 0.000 2.986 58 G HA2 0.163 nan 3.960 nan 0.000 0.213 58 G HA3 0.163 nan 3.960 nan 0.000 0.213 58 G C 0.239 175.164 174.900 0.042 0.000 1.156 58 G CA -0.149 44.983 45.100 0.054 0.000 0.763 58 G HN -0.013 8.259 8.290 0.073 0.062 0.547 59 I N 2.631 123.228 120.570 0.045 0.000 2.367 59 I HA -0.417 nan 4.170 nan 0.000 0.256 59 I C 0.103 176.236 176.117 0.026 0.000 1.132 59 I CA 2.554 63.876 61.300 0.035 0.000 1.397 59 I CB 0.405 38.428 38.000 0.038 0.000 1.074 59 I HN -0.581 7.617 8.210 0.053 0.043 0.435 60 L N -3.754 117.485 121.223 0.027 0.000 2.492 60 L HA -0.050 nan 4.340 nan 0.000 0.223 60 L C 0.501 177.380 176.870 0.014 0.000 1.132 60 L CA 0.145 54.997 54.840 0.020 0.000 0.850 60 L CB -0.892 41.181 42.059 0.022 0.000 0.966 60 L HN -0.297 7.907 8.230 0.032 0.046 0.454 61 R N -0.115 120.393 120.500 0.013 0.000 2.265 61 R HA 0.173 nan 4.340 nan 0.000 0.319 61 R C 0.037 176.334 176.300 -0.006 0.000 1.006 61 R CA -0.496 55.606 56.100 0.004 0.000 0.880 61 R CB 0.270 30.574 30.300 0.006 0.000 1.077 61 R HN 0.297 8.425 8.270 0.019 0.153 0.454 62 E N 3.582 123.775 120.200 -0.013 0.000 2.502 62 E HA -0.169 nan 4.350 nan 0.000 0.194 62 E C -0.319 176.258 176.600 -0.037 0.000 1.062 62 E CA 1.983 58.371 56.400 -0.019 0.000 0.867 62 E CB -0.468 29.223 29.700 -0.016 0.000 0.888 62 E HN 0.603 8.956 8.360 -0.011 0.000 0.510 63 N N -3.312 115.359 118.700 -0.048 0.000 2.230 63 N HA -0.008 nan 4.740 nan 0.000 0.202 63 N C -0.890 174.555 175.510 -0.109 0.000 1.119 63 N CA -0.281 52.722 53.050 -0.078 0.000 0.851 63 N CB 0.200 38.640 38.487 -0.079 0.000 0.990 63 N HN -0.372 7.923 8.380 -0.037 0.062 0.497 64 V N -0.036 119.828 119.914 -0.082 0.000 2.656 64 V HA 0.224 nan 4.120 nan 0.000 0.307 64 V C -0.707 175.350 176.094 -0.062 0.000 1.051 64 V CA -1.122 61.118 62.300 -0.100 0.000 0.893 64 V CB 2.135 33.934 31.823 -0.039 0.000 0.999 64 V HN -0.803 7.295 8.190 -0.052 0.061 0.426 65 T N 8.919 123.427 114.554 -0.077 0.000 2.767 65 T HA 0.319 nan 4.350 nan 0.000 0.288 65 T C -0.902 173.878 174.700 0.133 0.000 0.963 65 T CA -0.909 61.226 62.100 0.058 0.000 1.019 65 T CB 1.085 70.054 68.868 0.167 0.000 0.923 65 T HN 1.170 9.169 8.240 -0.217 0.111 0.468 66 S N 7.153 122.911 115.700 0.097 0.000 2.475 66 S HA 0.726 nan 4.470 nan 0.000 0.281 66 S C -1.554 173.102 174.600 0.093 0.000 1.198 66 S CA 0.148 58.403 58.200 0.092 0.000 1.063 66 S CB 0.769 64.010 63.200 0.067 0.000 0.972 66 S HN 0.686 9.042 8.310 0.076 0.000 0.486 67 I N 5.258 125.880 120.570 0.086 0.000 2.465 67 I HA 0.635 nan 4.170 nan 0.000 0.291 67 I C -1.834 174.323 176.117 0.068 0.000 1.014 67 I CA -0.972 60.367 61.300 0.064 0.000 1.093 67 I CB 3.751 41.769 38.000 0.031 0.000 1.267 67 I HN 1.021 9.282 8.210 0.085 0.000 0.431 68 I N 5.453 126.062 120.570 0.066 0.000 2.306 68 I HA 0.679 nan 4.170 nan 0.000 0.288 68 I C -1.143 175.026 176.117 0.087 0.000 1.036 68 I CA -2.223 59.123 61.300 0.076 0.000 1.221 68 I CB 1.267 39.301 38.000 0.057 0.000 1.385 68 I HN 0.200 8.444 8.210 0.057 0.000 0.472 69 G N 6.471 115.345 108.800 0.124 0.000 2.606 69 G HA2 0.013 nan 3.960 nan 0.000 0.252 69 G HA3 0.013 nan 3.960 nan 0.000 0.252 69 G C 0.392 175.370 174.900 0.131 0.000 1.206 69 G CA -1.530 43.652 45.100 0.137 0.000 0.861 69 G HN 0.817 9.092 8.290 0.152 0.106 0.561 70 N N 0.768 119.541 118.700 0.121 0.000 2.493 70 N HA -0.423 nan 4.740 nan 0.000 0.191 70 N C 1.172 176.759 175.510 0.128 0.000 1.041 70 N CA 2.500 55.616 53.050 0.110 0.000 0.904 70 N CB -0.560 37.989 38.487 0.103 0.000 0.948 70 N HN 0.543 8.993 8.380 0.118 0.000 0.446 71 G N -1.319 107.582 108.800 0.169 0.000 2.813 71 G HA2 -0.048 nan 3.960 nan 0.000 0.209 71 G HA3 -0.048 nan 3.960 nan 0.000 0.209 71 G C -0.810 174.207 174.900 0.195 0.000 1.150 71 G CA -0.025 45.199 45.100 0.206 0.000 0.785 71 G HN -0.628 7.710 8.290 0.188 0.065 0.535 72 V N 1.598 121.585 119.914 0.121 0.000 2.498 72 V HA 0.163 nan 4.120 nan 0.000 0.279 72 V C 0.282 176.364 176.094 -0.021 0.000 1.048 72 V CA 0.128 62.468 62.300 0.068 0.000 0.967 72 V CB 0.379 32.235 31.823 0.056 0.000 0.988 72 V HN -0.546 7.663 8.190 0.116 0.051 0.473 73 V N 4.268 124.113 119.914 -0.115 0.000 2.372 73 V HA 0.282 nan 4.120 nan 0.000 0.261 73 V C -1.015 175.029 176.094 -0.084 0.000 1.055 73 V CA -1.361 60.801 62.300 -0.230 0.000 0.930 73 V CB -1.226 30.304 31.823 -0.488 0.000 1.031 73 V HN 0.676 8.728 8.190 -0.052 0.106 0.479 74 L N 7.050 128.237 121.223 -0.060 0.000 2.292 74 L HA 0.436 nan 4.340 nan 0.000 0.284 74 L C -1.408 175.424 176.870 -0.062 0.000 1.065 74 L CA -1.056 53.761 54.840 -0.039 0.000 0.806 74 L CB 2.563 44.605 42.059 -0.028 0.000 1.175 74 L HN 0.251 8.440 8.230 -0.068 0.000 0.431 75 S N 6.125 121.757 115.700 -0.115 0.000 2.448 75 S HA 0.430 nan 4.470 nan 0.000 0.320 75 S C -1.002 173.490 174.600 -0.181 0.000 1.071 75 S CA -4.587 53.504 58.200 -0.182 0.000 1.113 75 S CB 0.844 63.797 63.200 -0.412 0.000 0.972 75 S HN 0.389 8.622 8.310 -0.127 0.000 0.465 76 P HA -0.218 nan 4.420 nan 0.000 0.215 76 P C 0.055 177.280 177.300 -0.126 0.000 1.157 76 P CA 2.626 65.658 63.100 -0.114 0.000 0.868 76 P CB 0.087 31.730 31.700 -0.095 0.000 0.788 77 A N -4.110 118.632 122.820 -0.130 0.000 1.892 77 A HA -0.318 nan 4.320 nan 0.000 0.218 77 A C 1.782 179.273 177.584 -0.155 0.000 1.188 77 A CA 2.955 54.919 52.037 -0.122 0.000 0.631 77 A CB -0.936 17.997 19.000 -0.112 0.000 0.822 77 A HN 0.245 8.321 8.150 -0.123 0.000 0.447 78 A N -1.473 121.198 122.820 -0.248 0.000 1.877 78 A HA -0.241 nan 4.320 nan 0.000 0.216 78 A C 1.871 179.335 177.584 -0.199 0.000 1.186 78 A CA 2.620 54.470 52.037 -0.311 0.000 0.620 78 A CB -0.640 17.925 19.000 -0.724 0.000 0.822 78 A HN -0.704 7.271 8.150 -0.291 0.000 0.443 79 L N -0.654 120.465 121.223 -0.174 0.000 1.971 79 L HA -0.433 nan 4.340 nan 0.000 0.215 79 L C 1.920 178.746 176.870 -0.074 0.000 1.072 79 L CA 3.421 58.201 54.840 -0.100 0.000 0.758 79 L CB -0.141 41.867 42.059 -0.086 0.000 0.889 79 L HN 0.326 8.322 8.230 -0.206 0.110 0.433 80 M N -2.391 117.162 119.600 -0.079 0.000 2.082 80 M HA -0.531 nan 4.480 nan 0.000 0.258 80 M C 2.186 178.455 176.300 -0.051 0.000 1.071 80 M CA 2.960 58.223 55.300 -0.060 0.000 1.103 80 M CB -1.482 31.080 32.600 -0.064 0.000 1.307 80 M HN 0.099 8.332 8.290 -0.094 0.000 0.409 81 K N -0.919 119.443 120.400 -0.063 0.000 2.127 81 K HA -0.453 nan 4.320 nan 0.000 0.208 81 K C 2.193 178.773 176.600 -0.033 0.000 1.047 81 K CA 3.580 59.836 56.287 -0.051 0.000 0.927 81 K CB -0.310 32.150 32.500 -0.066 0.000 0.716 81 K HN -0.352 7.850 8.250 -0.080 0.000 0.450 82 E N -0.920 119.260 120.200 -0.032 0.000 2.046 82 E HA -0.267 nan 4.350 nan 0.000 0.190 82 E C 2.021 178.623 176.600 0.004 0.000 0.982 82 E CA 2.698 59.099 56.400 0.001 0.000 0.800 82 E CB 0.036 29.745 29.700 0.015 0.000 0.756 82 E HN -0.583 7.654 8.360 -0.052 0.092 0.449 83 M N 0.294 119.889 119.600 -0.009 0.000 2.082 83 M HA -0.488 nan 4.480 nan 0.000 0.258 83 M C 1.721 178.018 176.300 -0.005 0.000 1.069 83 M CA 3.911 59.208 55.300 -0.006 0.000 1.102 83 M CB 0.203 32.793 32.600 -0.017 0.000 1.336 83 M HN 0.496 8.656 8.290 -0.021 0.118 0.404 84 K N -1.241 119.152 120.400 -0.011 0.000 2.002 84 K HA -0.358 nan 4.320 nan 0.000 0.209 84 K C 1.619 178.218 176.600 -0.001 0.000 1.048 84 K CA 3.541 59.823 56.287 -0.009 0.000 0.930 84 K CB -0.410 32.081 32.500 -0.015 0.000 0.714 84 K HN 0.244 8.483 8.250 -0.017 0.000 0.438 85 E N -0.711 119.490 120.200 0.002 0.000 2.130 85 E HA -0.376 nan 4.350 nan 0.000 0.196 85 E C 2.730 179.339 176.600 0.014 0.000 0.998 85 E CA 2.664 59.070 56.400 0.010 0.000 0.806 85 E CB -0.459 29.251 29.700 0.017 0.000 0.738 85 E HN -0.688 7.672 8.360 -0.001 0.000 0.459 86 L N -0.622 120.611 121.223 0.016 0.000 2.027 86 L HA -0.343 nan 4.340 nan 0.000 0.206 86 L C 2.398 179.275 176.870 0.012 0.000 1.074 86 L CA 2.940 57.791 54.840 0.018 0.000 0.745 86 L CB -0.206 41.865 42.059 0.021 0.000 0.898 86 L HN -0.155 8.083 8.230 0.016 0.001 0.433 87 E N -0.713 119.491 120.200 0.007 0.000 2.209 87 E HA -0.384 nan 4.350 nan 0.000 0.196 87 E C 2.970 179.572 176.600 0.003 0.000 0.993 87 E CA 3.044 59.446 56.400 0.004 0.000 0.819 87 E CB -0.295 29.405 29.700 0.000 0.000 0.745 87 E HN -0.108 8.255 8.360 0.006 0.000 0.477 88 D N -0.744 119.658 120.400 0.004 0.000 2.219 88 D HA -0.121 nan 4.640 nan 0.000 0.205 88 D C 1.142 177.445 176.300 0.005 0.000 0.970 88 D CA 2.244 56.246 54.000 0.003 0.000 0.851 88 D CB -0.147 40.655 40.800 0.003 0.000 0.943 88 D HN 0.118 8.479 8.370 0.004 0.011 0.488 89 R N -2.290 118.215 120.500 0.008 0.000 2.363 89 R HA 0.080 nan 4.340 nan 0.000 0.236 89 R C 0.507 176.812 176.300 0.009 0.000 0.966 89 R CA -0.552 55.553 56.100 0.010 0.000 1.100 89 R CB -0.580 29.728 30.300 0.014 0.000 1.125 89 R HN -0.579 7.553 8.270 0.009 0.143 0.514 90 G N -0.349 108.455 108.800 0.006 0.000 2.160 90 G HA2 -0.414 nan 3.960 nan 0.000 0.244 90 G HA3 -0.414 nan 3.960 nan 0.000 0.244 90 G C -1.011 173.893 174.900 0.006 0.000 1.022 90 G CA 0.455 45.558 45.100 0.005 0.000 0.741 90 G HN -0.394 7.812 8.290 0.005 0.087 0.508 91 I N 0.622 121.197 120.570 0.008 0.000 2.354 91 I HA 0.333 nan 4.170 nan 0.000 0.286 91 I C -1.723 174.398 176.117 0.007 0.000 1.007 91 I CA -3.593 57.712 61.300 0.009 0.000 1.167 91 I CB 2.006 40.014 38.000 0.013 0.000 1.320 91 I HN -0.705 7.510 8.210 0.008 0.000 0.458 92 P HA 0.156 nan 4.420 nan 0.000 0.230 92 P C 0.494 177.798 177.300 0.007 0.000 1.791 92 P CA -0.493 62.610 63.100 0.005 0.000 1.020 92 P CB -1.747 29.955 31.700 0.003 0.000 1.977 93 V N 4.179 124.098 119.914 0.008 0.000 2.250 93 V HA -0.596 nan 4.120 nan 0.000 0.253 93 V C 1.749 177.849 176.094 0.010 0.000 1.065 93 V CA 4.477 66.783 62.300 0.011 0.000 1.039 93 V CB -0.669 31.159 31.823 0.009 0.000 0.647 93 V HN 0.434 8.564 8.190 0.007 0.065 0.446 94 R N -3.099 117.404 120.500 0.006 0.000 2.285 94 R HA -0.240 nan 4.340 nan 0.000 0.213 94 R C 1.882 178.188 176.300 0.010 0.000 1.068 94 R CA 2.319 58.422 56.100 0.006 0.000 1.004 94 R CB -0.412 29.888 30.300 -0.001 0.000 0.873 94 R HN -0.485 8.043 8.270 0.003 -0.257 0.467 95 E N -1.451 118.755 120.200 0.010 0.000 2.299 95 E HA -0.140 nan 4.350 nan 0.000 0.193 95 E C 0.376 176.985 176.600 0.016 0.000 0.998 95 E CA 1.668 58.074 56.400 0.011 0.000 0.851 95 E CB 0.499 30.203 29.700 0.006 0.000 0.795 95 E HN 0.081 8.267 8.360 0.008 0.179 0.492 96 R N -6.499 114.013 120.500 0.019 0.000 2.469 96 R HA 0.255 nan 4.340 nan 0.000 0.250 96 R C -0.463 175.861 176.300 0.041 0.000 0.909 96 R CA -0.634 55.482 56.100 0.027 0.000 1.050 96 R CB 1.560 31.871 30.300 0.018 0.000 1.256 96 R HN -0.436 7.684 8.270 0.018 0.161 0.550 97 L N 1.265 122.510 121.223 0.037 0.000 2.307 97 L HA 0.490 nan 4.340 nan 0.000 0.282 97 L C -1.891 175.006 176.870 0.044 0.000 1.051 97 L CA -0.154 54.711 54.840 0.042 0.000 0.804 97 L CB 2.091 44.168 42.059 0.030 0.000 1.197 97 L HN -0.445 7.802 8.230 0.028 0.000 0.431 98 L N 4.620 125.875 121.223 0.053 0.000 2.350 98 L HA 0.791 nan 4.340 nan 0.000 0.260 98 L C -1.957 174.941 176.870 0.046 0.000 1.015 98 L CA -1.251 53.619 54.840 0.050 0.000 0.821 98 L CB 3.593 45.686 42.059 0.058 0.000 1.370 98 L HN 0.834 9.100 8.230 0.061 0.000 0.416 99 L N -5.157 116.094 121.223 0.045 0.000 2.630 99 L HA 0.806 nan 4.340 nan 0.000 0.258 99 L C -2.156 174.748 176.870 0.058 0.000 1.072 99 L CA -1.436 53.432 54.840 0.047 0.000 0.885 99 L CB 2.359 44.438 42.059 0.035 0.000 1.502 99 L HN 0.267 8.526 8.230 0.049 0.000 0.406 100 S N -1.131 114.607 115.700 0.063 0.000 2.525 100 S HA 0.290 nan 4.470 nan 0.000 0.278 100 S C 1.350 176.002 174.600 0.086 0.000 1.234 100 S CA -1.700 56.544 58.200 0.074 0.000 1.058 100 S CB 1.214 64.459 63.200 0.075 0.000 0.983 100 S HN -0.346 8.001 8.310 0.060 0.000 0.495 101 E N 6.994 127.263 120.200 0.116 0.000 2.338 101 E HA -0.226 nan 4.350 nan 0.000 0.197 101 E C 0.945 177.618 176.600 0.121 0.000 1.007 101 E CA 2.398 58.892 56.400 0.158 0.000 0.849 101 E CB -0.452 29.381 29.700 0.222 0.000 0.774 101 E HN 0.661 9.088 8.360 0.111 0.000 0.506 102 A N -1.613 121.265 122.820 0.096 0.000 2.302 102 A HA 0.086 nan 4.320 nan 0.000 0.219 102 A C -0.613 177.017 177.584 0.076 0.000 1.243 102 A CA -0.571 51.518 52.037 0.086 0.000 0.856 102 A CB -0.256 18.793 19.000 0.080 0.000 0.893 102 A HN -0.590 7.565 8.150 0.090 0.049 0.491 103 C N 1.135 120.474 119.300 0.066 0.000 2.576 103 C HA 0.116 nan 4.460 nan 0.000 0.401 103 C C -1.962 173.044 174.990 0.028 0.000 1.314 103 C CA -1.380 57.663 59.018 0.041 0.000 1.855 103 C CB -1.337 26.420 27.740 0.030 0.000 2.537 103 C HN -0.472 7.729 8.230 0.070 0.071 0.578 104 P HA 0.301 nan 4.420 nan 0.000 0.272 104 P C -1.800 175.492 177.300 -0.013 0.000 1.240 104 P CA 0.135 63.232 63.100 -0.006 0.000 0.791 104 P CB 0.427 32.075 31.700 -0.087 0.000 0.978 105 L N -1.090 120.157 121.223 0.041 0.000 2.317 105 L HA 0.547 nan 4.340 nan 0.000 0.281 105 L C -0.219 176.683 176.870 0.053 0.000 1.024 105 L CA -1.196 53.670 54.840 0.044 0.000 0.810 105 L CB 1.601 43.723 42.059 0.106 0.000 1.240 105 L HN 0.211 8.496 8.230 0.092 0.000 0.427 106 I N 3.560 124.134 120.570 0.006 0.000 2.291 106 I HA 0.058 nan 4.170 nan 0.000 0.290 106 I C -1.407 174.719 176.117 0.015 0.000 1.050 106 I CA -0.277 61.059 61.300 0.059 0.000 1.245 106 I CB -0.541 37.460 38.000 0.002 0.000 1.405 106 I HN 0.444 8.532 8.210 -0.024 0.108 0.478 107 L N 3.738 124.900 121.223 -0.102 0.000 2.298 107 L HA 0.275 nan 4.340 nan 0.000 0.268 107 L C 0.822 177.441 176.870 -0.417 0.000 1.010 107 L CA -1.924 52.729 54.840 -0.311 0.000 0.812 107 L CB 1.925 43.762 42.059 -0.370 0.000 1.331 107 L HN -0.267 8.014 8.230 0.086 0.000 0.450 108 D N 0.490 120.742 120.400 -0.246 0.000 2.158 108 D HA -0.378 nan 4.640 nan 0.000 0.197 108 D C 1.582 177.787 176.300 -0.158 0.000 0.995 108 D CA 4.109 58.022 54.000 -0.144 0.000 0.846 108 D CB -0.426 40.349 40.800 -0.042 0.000 0.941 108 D HN 0.718 8.996 8.370 -0.154 0.000 0.456 109 Y N -3.709 116.479 120.300 -0.186 0.000 2.315 109 Y HA -0.312 nan 4.550 nan 0.000 0.288 109 Y C 1.806 177.553 175.900 -0.255 0.000 1.154 109 Y CA 1.824 59.786 58.100 -0.229 0.000 1.229 109 Y CB -1.441 36.861 38.460 -0.264 0.000 0.980 109 Y HN -0.100 8.043 8.280 -0.227 0.000 0.540 110 H N 0.753 119.548 119.070 -0.459 0.000 2.299 110 H HA -0.346 nan 4.556 nan 0.000 0.302 110 H C 2.304 177.525 175.328 -0.179 0.000 1.078 110 H CA 3.913 59.769 56.048 -0.320 0.000 1.323 110 H CB -0.005 29.537 29.762 -0.367 0.000 1.381 110 H HN -0.354 7.205 8.280 -0.993 0.125 0.498 111 V N -0.768 119.129 119.914 -0.030 0.000 2.295 111 V HA -0.503 nan 4.120 nan 0.000 0.246 111 V C 1.780 177.847 176.094 -0.044 0.000 1.049 111 V CA 4.134 66.416 62.300 -0.030 0.000 1.024 111 V CB -1.414 30.395 31.823 -0.024 0.000 0.648 111 V HN -0.632 7.515 8.190 -0.071 0.000 0.447 112 A N -0.694 122.098 122.820 -0.046 0.000 1.869 112 A HA -0.422 nan 4.320 nan 0.000 0.218 112 A C 1.754 179.282 177.584 -0.093 0.000 1.203 112 A CA 3.377 55.386 52.037 -0.047 0.000 0.638 112 A CB -0.868 18.123 19.000 -0.015 0.000 0.831 112 A HN 0.153 8.273 8.150 -0.050 0.000 0.450 113 L N -1.836 119.330 121.223 -0.094 0.000 1.971 113 L HA -0.569 nan 4.340 nan 0.000 0.215 113 L C 1.978 178.751 176.870 -0.162 0.000 1.072 113 L CA 3.245 57.991 54.840 -0.157 0.000 0.758 113 L CB -0.765 41.257 42.059 -0.061 0.000 0.889 113 L HN 0.387 8.468 8.230 -0.059 0.114 0.433 114 D N -1.726 118.625 120.400 -0.082 0.000 2.157 114 D HA -0.439 nan 4.640 nan 0.000 0.191 114 D C 2.604 178.858 176.300 -0.077 0.000 1.004 114 D CA 3.508 57.469 54.000 -0.065 0.000 0.854 114 D CB -0.360 40.412 40.800 -0.046 0.000 0.936 114 D HN 0.337 8.564 8.370 -0.052 0.112 0.446 115 N N -0.809 117.844 118.700 -0.079 0.000 2.142 115 N HA -0.287 nan 4.740 nan 0.000 0.186 115 N C 1.991 177.450 175.510 -0.085 0.000 1.023 115 N CA 2.780 55.791 53.050 -0.064 0.000 0.852 115 N CB 0.371 38.829 38.487 -0.048 0.000 0.998 115 N HN -0.352 7.981 8.380 -0.076 0.001 0.424 116 A N 1.114 123.835 122.820 -0.166 0.000 1.865 116 A HA -0.353 nan 4.320 nan 0.000 0.217 116 A C 2.042 179.507 177.584 -0.198 0.000 1.191 116 A CA 3.393 55.283 52.037 -0.245 0.000 0.623 116 A CB -0.820 17.831 19.000 -0.583 0.000 0.826 116 A HN 0.138 8.181 8.150 -0.179 0.000 0.444 117 R N -2.248 118.089 120.500 -0.272 0.000 2.094 117 R HA -0.432 nan 4.340 nan 0.000 0.239 117 R C 2.404 178.730 176.300 0.044 0.000 1.137 117 R CA 3.605 59.686 56.100 -0.033 0.000 0.943 117 R CB -0.200 30.081 30.300 -0.031 0.000 0.850 117 R HN 0.454 8.407 8.270 -0.344 0.111 0.433 118 E N -1.249 118.949 120.200 -0.004 0.000 2.058 118 E HA -0.288 nan 4.350 nan 0.000 0.194 118 E C 2.063 178.683 176.600 0.033 0.000 0.997 118 E CA 2.813 59.219 56.400 0.010 0.000 0.801 118 E CB -0.353 29.342 29.700 -0.007 0.000 0.746 118 E HN -0.348 7.989 8.360 -0.039 0.000 0.450 119 K N -1.240 119.179 120.400 0.032 0.000 2.032 119 K HA -0.321 nan 4.320 nan 0.000 0.209 119 K C 2.557 179.203 176.600 0.076 0.000 1.048 119 K CA 2.808 59.123 56.287 0.046 0.000 0.927 119 K CB 0.041 32.564 32.500 0.039 0.000 0.712 119 K HN -0.017 8.131 8.250 0.009 0.107 0.441 120 A N -1.341 121.556 122.820 0.129 0.000 1.958 120 A HA -0.235 nan 4.320 nan 0.000 0.221 120 A C 1.352 178.999 177.584 0.105 0.000 1.178 120 A CA 2.662 54.792 52.037 0.155 0.000 0.642 120 A CB -0.878 18.293 19.000 0.285 0.000 0.816 120 A HN -0.114 8.124 8.150 0.147 0.000 0.453 121 R N -2.744 117.810 120.500 0.090 0.000 2.120 121 R HA -0.215 nan 4.340 nan 0.000 0.234 121 R C 1.485 177.819 176.300 0.056 0.000 1.123 121 R CA 1.175 57.314 56.100 0.065 0.000 0.975 121 R CB 0.152 30.479 30.300 0.044 0.000 0.866 121 R HN -0.535 7.696 8.270 0.094 0.095 0.446 122 G N -1.306 107.525 108.800 0.052 0.000 2.646 122 G HA2 -0.480 nan 3.960 nan 0.000 0.324 122 G HA3 -0.480 nan 3.960 nan 0.000 0.324 122 G C 0.629 175.557 174.900 0.047 0.000 1.195 122 G CA 1.525 46.651 45.100 0.044 0.000 0.976 122 G HN -0.084 8.110 8.290 0.054 0.128 0.546 123 A N 4.907 127.754 122.820 0.046 0.000 2.070 123 A HA -0.124 nan 4.320 nan 0.000 0.220 123 A C 0.927 178.556 177.584 0.075 0.000 1.159 123 A CA 2.038 54.106 52.037 0.051 0.000 0.656 123 A CB -0.564 18.462 19.000 0.044 0.000 0.800 123 A HN 0.308 8.483 8.150 0.043 0.000 0.453 124 K N -2.744 117.705 120.400 0.081 0.000 2.417 124 K HA 0.027 nan 4.320 nan 0.000 0.196 124 K C -0.242 176.424 176.600 0.110 0.000 1.023 124 K CA -1.170 55.184 56.287 0.111 0.000 1.122 124 K CB 0.040 32.584 32.500 0.073 0.000 0.850 124 K HN -0.396 7.755 8.250 0.065 0.139 0.521 125 A N 0.281 123.154 122.820 0.088 0.000 2.591 125 A HA -0.203 nan 4.320 nan 0.000 0.244 125 A C 0.521 178.180 177.584 0.125 0.000 1.031 125 A CA 1.340 53.420 52.037 0.072 0.000 0.767 125 A CB 0.131 19.165 19.000 0.056 0.000 0.942 125 A HN -0.446 7.584 8.150 0.076 0.165 0.514 126 I N 0.679 121.281 120.570 0.055 0.000 2.676 126 I HA -0.243 nan 4.170 nan 0.000 0.259 126 I C 0.755 176.944 176.117 0.121 0.000 1.194 126 I CA 1.492 62.841 61.300 0.081 0.000 1.473 126 I CB 0.260 38.213 38.000 -0.078 0.000 1.096 126 I HN -0.096 8.386 8.210 0.004 -0.270 0.443 127 G N -0.498 108.338 108.800 0.060 0.000 2.291 127 G HA2 -0.390 nan 3.960 nan 0.000 0.271 127 G HA3 -0.390 nan 3.960 nan 0.000 0.271 127 G C -0.444 174.464 174.900 0.015 0.000 1.099 127 G CA -0.279 44.842 45.100 0.034 0.000 0.919 127 G HN -0.341 8.325 8.290 0.043 -0.350 0.496 128 T N -2.334 112.221 114.554 0.002 0.000 2.868 128 T HA 0.048 nan 4.350 nan 0.000 0.292 128 T C 1.096 175.784 174.700 -0.020 0.000 1.028 128 T CA -0.029 62.064 62.100 -0.013 0.000 1.059 128 T CB 0.828 69.681 68.868 -0.025 0.000 0.991 128 T HN 0.135 8.805 8.240 0.002 -0.429 0.531 129 T N -3.556 110.979 114.554 -0.032 0.000 3.051 129 T HA -0.065 nan 4.350 nan 0.000 0.269 129 T C 1.098 175.764 174.700 -0.056 0.000 1.127 129 T CA 0.358 62.433 62.100 -0.043 0.000 1.107 129 T CB -0.542 68.289 68.868 -0.062 0.000 0.898 129 T HN 0.221 8.441 8.240 -0.033 0.000 0.517 130 G N 1.969 110.736 108.800 -0.056 0.000 2.314 130 G HA2 -0.374 nan 3.960 nan 0.000 0.292 130 G HA3 -0.374 nan 3.960 nan 0.000 0.292 130 G C -0.483 174.374 174.900 -0.071 0.000 1.059 130 G CA 0.747 45.815 45.100 -0.053 0.000 0.982 130 G HN -0.346 7.849 8.290 -0.048 0.066 0.505 131 R N -1.020 119.411 120.500 -0.116 0.000 2.437 131 R HA 0.058 nan 4.340 nan 0.000 0.257 131 R C 0.058 176.310 176.300 -0.081 0.000 0.927 131 R CA -1.423 54.579 56.100 -0.163 0.000 1.078 131 R CB 0.561 30.566 30.300 -0.492 0.000 1.161 131 R HN -0.165 8.034 8.270 -0.119 0.000 0.529 132 G N -0.743 108.016 108.800 -0.069 0.000 2.136 132 G HA2 -0.317 nan 3.960 nan 0.000 0.242 132 G HA3 -0.317 nan 3.960 nan 0.000 0.242 132 G C 0.382 175.216 174.900 -0.110 0.000 0.989 132 G CA 0.779 45.846 45.100 -0.055 0.000 0.682 132 G HN 0.153 8.742 8.290 -0.070 -0.340 0.522 133 I N 1.299 121.816 120.570 -0.089 0.000 2.142 133 I HA -0.429 nan 4.170 nan 0.000 0.240 133 I C 1.614 177.745 176.117 0.023 0.000 1.078 133 I CA 2.490 63.758 61.300 -0.054 0.000 1.343 133 I CB -1.367 36.649 38.000 0.026 0.000 1.046 133 I HN -0.596 7.524 8.210 -0.088 0.037 0.405 134 G N -0.638 108.191 108.800 0.049 0.000 2.545 134 G HA2 -0.249 nan 3.960 nan 0.000 0.217 134 G HA3 -0.249 nan 3.960 nan 0.000 0.217 134 G C -1.538 173.393 174.900 0.051 0.000 1.218 134 G CA 3.141 48.291 45.100 0.082 0.000 0.787 134 G HN 0.332 8.629 8.290 0.012 0.000 0.571 135 P HA -0.233 nan 4.420 nan 0.000 0.215 135 P C 1.013 178.177 177.300 -0.227 0.000 1.153 135 P CA 2.444 65.534 63.100 -0.017 0.000 0.853 135 P CB -0.432 31.297 31.700 0.049 0.000 0.788 136 A N -2.221 120.249 122.820 -0.583 0.000 1.883 136 A HA -0.278 nan 4.320 nan 0.000 0.217 136 A C 2.315 179.680 177.584 -0.364 0.000 1.186 136 A CA 3.079 54.639 52.037 -0.794 0.000 0.624 136 A CB -0.740 17.842 19.000 -0.696 0.000 0.822 136 A HN -0.239 7.620 8.150 -0.486 0.000 0.444 137 Y N -2.495 117.730 120.300 -0.124 0.000 2.224 137 Y HA -0.429 nan 4.550 nan 0.000 0.289 137 Y C 2.378 178.284 175.900 0.009 0.000 1.146 137 Y CA 3.480 61.559 58.100 -0.035 0.000 1.182 137 Y CB -0.499 37.949 38.460 -0.020 0.000 0.983 137 Y HN -0.007 8.168 8.280 -0.175 0.000 0.524 138 E N -0.211 120.088 120.200 0.166 0.000 2.017 138 E HA -0.459 nan 4.350 nan 0.000 0.193 138 E C 2.344 179.041 176.600 0.162 0.000 0.997 138 E CA 3.385 59.881 56.400 0.161 0.000 0.804 138 E CB -0.403 29.401 29.700 0.173 0.000 0.757 138 E HN -0.194 8.160 8.360 0.132 0.085 0.448 139 D N -0.447 120.067 120.400 0.190 0.000 2.149 139 D HA -0.326 nan 4.640 nan 0.000 0.194 139 D C 2.083 178.467 176.300 0.141 0.000 1.001 139 D CA 3.211 57.344 54.000 0.222 0.000 0.849 139 D CB -0.602 40.411 40.800 0.355 0.000 0.939 139 D HN -0.060 8.415 8.370 0.175 0.000 0.449 140 K N 0.042 120.507 120.400 0.108 0.000 1.969 140 K HA -0.313 nan 4.320 nan 0.000 0.216 140 K C 2.686 179.349 176.600 0.104 0.000 1.048 140 K CA 3.306 59.652 56.287 0.098 0.000 0.948 140 K CB 0.096 32.655 32.500 0.100 0.000 0.726 140 K HN -0.621 7.677 8.250 0.080 0.000 0.442 141 V N 0.315 120.302 119.914 0.122 0.000 2.407 141 V HA -0.251 nan 4.120 nan 0.000 0.248 141 V C 1.472 177.610 176.094 0.072 0.000 1.055 141 V CA 2.439 64.797 62.300 0.097 0.000 1.049 141 V CB -0.322 31.561 31.823 0.101 0.000 0.662 141 V HN -0.315 7.965 8.190 0.151 0.000 0.455 142 A N -3.467 119.400 122.820 0.077 0.000 2.265 142 A HA -0.012 nan 4.320 nan 0.000 0.213 142 A C -0.853 176.747 177.584 0.026 0.000 1.255 142 A CA -0.421 51.645 52.037 0.049 0.000 0.862 142 A CB -0.219 18.816 19.000 0.058 0.000 0.852 142 A HN 0.166 8.264 8.150 0.099 0.111 0.484 143 R N -4.717 115.808 120.500 0.041 0.000 3.387 143 R HA -0.388 nan 4.340 nan 0.000 0.254 143 R C 0.335 176.645 176.300 0.018 0.000 1.006 143 R CA 1.491 57.610 56.100 0.031 0.000 0.677 143 R CB -2.646 27.664 30.300 0.017 0.000 1.063 143 R HN -0.367 7.743 8.270 0.057 0.194 0.453 144 R N -5.495 115.027 120.500 0.038 0.000 2.556 144 R HA 0.243 nan 4.340 nan 0.000 0.276 144 R C 0.679 177.041 176.300 0.104 0.000 0.931 144 R CA -0.377 55.739 56.100 0.028 0.000 1.061 144 R CB 0.988 31.264 30.300 -0.041 0.000 1.432 144 R HN 0.297 8.582 8.270 0.065 0.024 0.547 145 G N 1.045 109.932 108.800 0.145 0.000 2.614 145 G HA2 -0.105 nan 3.960 nan 0.000 0.239 145 G HA3 -0.105 nan 3.960 nan 0.000 0.239 145 G C -1.099 173.899 174.900 0.164 0.000 1.240 145 G CA -0.033 45.186 45.100 0.198 0.000 0.842 145 G HN -0.447 7.830 8.290 0.124 0.087 0.584 146 L N 0.608 121.952 121.223 0.202 0.000 2.343 146 L HA 0.265 nan 4.340 nan 0.000 0.275 146 L C -0.692 176.288 176.870 0.183 0.000 1.056 146 L CA -0.266 54.690 54.840 0.194 0.000 0.804 146 L CB 1.295 43.492 42.059 0.229 0.000 1.203 146 L HN 0.255 8.643 8.230 0.263 0.000 0.440 147 R N 0.231 120.837 120.500 0.177 0.000 2.902 147 R HA 0.573 nan 4.340 nan 0.000 0.258 147 R C 1.743 178.120 176.300 0.128 0.000 1.071 147 R CA -1.431 54.749 56.100 0.133 0.000 1.024 147 R CB 1.976 32.345 30.300 0.115 0.000 1.184 147 R HN -0.252 8.391 8.270 0.196 -0.256 0.492 148 V N 1.675 121.638 119.914 0.082 0.000 2.380 148 V HA -0.355 nan 4.120 nan 0.000 0.251 148 V C 1.705 177.834 176.094 0.058 0.000 1.063 148 V CA 4.651 66.970 62.300 0.031 0.000 1.055 148 V CB -0.575 31.264 31.823 0.026 0.000 0.657 148 V HN 0.812 9.046 8.190 0.074 0.000 0.455 149 G N -3.420 105.488 108.800 0.180 0.000 2.559 149 G HA2 -0.249 nan 3.960 nan 0.000 0.216 149 G HA3 -0.249 nan 3.960 nan 0.000 0.216 149 G C 0.836 175.930 174.900 0.322 0.000 1.126 149 G CA 1.394 46.706 45.100 0.354 0.000 0.778 149 G HN 0.606 8.902 8.290 0.160 0.090 0.543 150 D N 1.629 122.156 120.400 0.211 0.000 2.340 150 D HA 0.062 nan 4.640 nan 0.000 0.220 150 D C 0.901 177.288 176.300 0.145 0.000 1.039 150 D CA 1.610 55.767 54.000 0.262 0.000 0.866 150 D CB -0.119 40.904 40.800 0.372 0.000 0.913 150 D HN -0.142 8.151 8.370 0.179 0.185 0.523 151 L N -2.036 119.109 121.223 -0.130 0.000 2.446 151 L HA -0.028 nan 4.340 nan 0.000 0.219 151 L C 0.773 177.472 176.870 -0.285 0.000 1.116 151 L CA 0.997 55.581 54.840 -0.427 0.000 0.844 151 L CB 0.133 41.868 42.059 -0.539 0.000 0.970 151 L HN -0.439 7.664 8.230 -0.113 0.059 0.457 152 F N -3.467 116.453 119.950 -0.050 0.000 2.408 152 F HA -0.267 nan 4.527 nan 0.000 0.300 152 F C 0.200 176.000 175.800 -0.001 0.000 1.090 152 F CA 1.925 59.912 58.000 -0.022 0.000 1.427 152 F CB 0.354 39.353 39.000 -0.001 0.000 1.070 152 F HN -0.986 7.320 8.300 0.061 0.031 0.549 153 D N -1.832 118.669 120.400 0.170 0.000 2.358 153 D HA 0.207 nan 4.640 nan 0.000 0.253 153 D C -0.343 176.048 176.300 0.153 0.000 1.288 153 D CA -0.939 53.148 54.000 0.144 0.000 0.950 153 D CB -0.152 40.739 40.800 0.152 0.000 1.197 153 D HN -0.635 7.788 8.370 0.156 0.041 0.550 154 K N 4.841 125.303 120.400 0.103 0.000 2.097 154 K HA -0.275 nan 4.320 nan 0.000 0.205 154 K C 1.751 178.476 176.600 0.207 0.000 1.050 154 K CA 3.700 60.074 56.287 0.144 0.000 0.938 154 K CB 0.189 32.718 32.500 0.047 0.000 0.718 154 K HN 0.517 8.808 8.250 0.068 0.000 0.442 155 E N -0.667 119.618 120.200 0.142 0.000 2.051 155 E HA -0.303 nan 4.350 nan 0.000 0.192 155 E C 2.504 179.186 176.600 0.137 0.000 0.991 155 E CA 3.325 59.801 56.400 0.126 0.000 0.799 155 E CB -0.360 29.392 29.700 0.088 0.000 0.748 155 E HN -0.124 8.386 8.360 0.115 -0.081 0.449 156 T N 3.304 117.941 114.554 0.138 0.000 2.684 156 T HA -0.295 nan 4.350 nan 0.000 0.267 156 T C 1.593 176.386 174.700 0.155 0.000 1.036 156 T CA 4.784 66.960 62.100 0.127 0.000 1.148 156 T CB -0.494 68.453 68.868 0.130 0.000 0.863 156 T HN -0.569 8.019 8.240 0.133 -0.268 0.436 157 F N 1.910 121.897 119.950 0.061 0.000 2.120 157 F HA -0.527 nan 4.527 nan 0.000 0.300 157 F C 0.679 176.525 175.800 0.077 0.000 1.095 157 F CA 3.241 61.277 58.000 0.060 0.000 1.249 157 F CB -0.070 38.953 39.000 0.039 0.000 0.995 157 F HN 0.311 8.653 8.300 0.341 0.162 0.480 158 A N -2.014 120.893 122.820 0.145 0.000 1.877 158 A HA -0.377 nan 4.320 nan 0.000 0.216 158 A C 2.566 180.211 177.584 0.102 0.000 1.186 158 A CA 3.162 55.279 52.037 0.135 0.000 0.620 158 A CB -1.046 18.084 19.000 0.216 0.000 0.822 158 A HN 0.474 8.603 8.150 0.272 0.185 0.443 159 E N -0.586 119.649 120.200 0.059 0.000 2.012 159 E HA -0.474 nan 4.350 nan 0.000 0.197 159 E C 2.393 178.983 176.600 -0.016 0.000 1.007 159 E CA 3.243 59.656 56.400 0.021 0.000 0.816 159 E CB -0.276 29.437 29.700 0.022 0.000 0.762 159 E HN -0.355 8.052 8.360 0.079 0.000 0.451 160 K N -0.941 119.429 120.400 -0.051 0.000 2.020 160 K HA -0.361 nan 4.320 nan 0.000 0.212 160 K C 2.631 179.153 176.600 -0.130 0.000 1.050 160 K CA 3.021 59.258 56.287 -0.084 0.000 0.929 160 K CB -0.123 32.325 32.500 -0.086 0.000 0.714 160 K HN -0.505 7.725 8.250 -0.033 0.000 0.443 161 L N -1.210 119.849 121.223 -0.274 0.000 2.043 161 L HA -0.432 nan 4.340 nan 0.000 0.212 161 L C 1.217 178.102 176.870 0.024 0.000 1.075 161 L CA 3.191 57.887 54.840 -0.239 0.000 0.752 161 L CB -0.387 41.397 42.059 -0.458 0.000 0.891 161 L HN 0.289 8.151 8.230 -0.433 0.108 0.432 162 K N -1.076 119.435 120.400 0.186 0.000 2.001 162 K HA -0.477 nan 4.320 nan 0.000 0.214 162 K C 1.745 178.333 176.600 -0.021 0.000 1.050 162 K CA 3.244 59.587 56.287 0.092 0.000 0.934 162 K CB -0.389 32.058 32.500 -0.088 0.000 0.718 162 K HN 0.012 8.374 8.250 0.176 -0.006 0.443 163 E N -3.309 116.866 120.200 -0.042 0.000 2.418 163 E HA -0.220 nan 4.350 nan 0.000 0.197 163 E C 2.602 179.166 176.600 -0.061 0.000 1.026 163 E CA 2.144 58.512 56.400 -0.053 0.000 0.862 163 E CB -0.313 29.352 29.700 -0.059 0.000 0.799 163 E HN -0.409 7.929 8.360 -0.037 0.000 0.518 164 V N 1.558 121.424 119.914 -0.080 0.000 2.492 164 V HA -0.135 nan 4.120 nan 0.000 0.241 164 V C 0.837 176.827 176.094 -0.174 0.000 1.041 164 V CA 3.221 65.455 62.300 -0.110 0.000 1.057 164 V CB -0.010 31.786 31.823 -0.045 0.000 0.711 164 V HN -0.292 7.710 8.190 -0.073 0.144 0.468 165 M N -0.105 119.339 119.600 -0.260 0.000 2.117 165 M HA -0.490 nan 4.480 nan 0.000 0.262 165 M C 1.923 178.181 176.300 -0.071 0.000 1.065 165 M CA 4.728 59.842 55.300 -0.309 0.000 1.114 165 M CB -0.350 32.158 32.600 -0.153 0.000 1.361 165 M HN 0.323 8.499 8.290 -0.190 0.000 0.408 166 E N -0.713 119.476 120.200 -0.018 0.000 2.077 166 E HA -0.396 nan 4.350 nan 0.000 0.193 166 E C 1.790 178.433 176.600 0.071 0.000 0.989 166 E CA 2.946 59.364 56.400 0.030 0.000 0.800 166 E CB -0.976 28.730 29.700 0.011 0.000 0.746 166 E HN -0.215 8.129 8.360 -0.026 0.000 0.452 167 Y N 1.983 122.229 120.300 -0.090 0.000 2.128 167 Y HA -0.533 nan 4.550 nan 0.000 0.284 167 Y C 2.048 177.932 175.900 -0.027 0.000 1.154 167 Y CA 3.268 61.300 58.100 -0.113 0.000 1.149 167 Y CB -0.091 38.209 38.460 -0.267 0.000 0.976 167 Y HN -0.833 7.498 8.280 0.084 0.000 0.505 168 H N -1.719 117.319 119.070 -0.053 0.000 2.321 168 H HA -0.421 nan 4.556 nan 0.000 0.300 168 H C 2.886 178.190 175.328 -0.040 0.000 1.087 168 H CA 3.962 59.954 56.048 -0.093 0.000 1.319 168 H CB 0.025 29.747 29.762 -0.066 0.000 1.379 168 H HN 0.139 8.366 8.280 -0.090 0.000 0.501 169 N N -0.200 118.563 118.700 0.104 0.000 2.149 169 N HA -0.355 nan 4.740 nan 0.000 0.188 169 N C 1.742 177.288 175.510 0.061 0.000 1.019 169 N CA 3.226 56.324 53.050 0.079 0.000 0.857 169 N CB -0.331 38.194 38.487 0.063 0.000 0.997 169 N HN 0.593 8.887 8.380 0.077 0.133 0.426 170 F N 1.205 121.128 119.950 -0.045 0.000 2.010 170 F HA -0.481 nan 4.527 nan 0.000 0.296 170 F C 0.942 176.731 175.800 -0.018 0.000 1.146 170 F CA 4.318 62.288 58.000 -0.050 0.000 1.181 170 F CB 0.079 39.019 39.000 -0.100 0.000 0.965 170 F HN 0.326 8.735 8.300 0.186 0.003 0.480 171 Q N -1.048 118.841 119.800 0.147 0.000 2.181 171 Q HA -0.407 nan 4.340 nan 0.000 0.205 171 Q C 2.289 178.441 176.000 0.254 0.000 0.980 171 Q CA 3.061 58.953 55.803 0.148 0.000 0.862 171 Q CB -0.513 28.293 28.738 0.114 0.000 0.905 171 Q HN -0.550 7.801 8.270 0.135 0.000 0.429 172 L N -1.285 120.062 121.223 0.206 0.000 1.994 172 L HA -0.376 nan 4.340 nan 0.000 0.208 172 L C 2.178 179.131 176.870 0.138 0.000 1.071 172 L CA 3.201 58.175 54.840 0.223 0.000 0.745 172 L CB 0.105 42.228 42.059 0.107 0.000 0.892 172 L HN -0.109 8.132 8.230 0.143 0.075 0.431 173 V N -3.149 116.762 119.914 -0.004 0.000 2.331 173 V HA -0.314 nan 4.120 nan 0.000 0.242 173 V C 2.100 178.114 176.094 -0.132 0.000 1.034 173 V CA 3.974 66.237 62.300 -0.062 0.000 1.027 173 V CB -0.436 31.330 31.823 -0.095 0.000 0.667 173 V HN 0.416 8.584 8.190 -0.037 0.000 0.457 174 N N 0.409 118.922 118.700 -0.311 0.000 2.084 174 N HA -0.310 nan 4.740 nan 0.000 0.190 174 N C 1.663 177.073 175.510 -0.168 0.000 1.030 174 N CA 3.676 56.509 53.050 -0.362 0.000 0.849 174 N CB -0.052 37.919 38.487 -0.860 0.000 1.012 174 N HN 0.340 8.463 8.380 -0.428 0.000 0.423 175 Y N 1.843 122.002 120.300 -0.236 0.000 2.190 175 Y HA -0.276 nan 4.550 nan 0.000 0.290 175 Y C 2.194 177.917 175.900 -0.294 0.000 1.115 175 Y CA 4.078 62.011 58.100 -0.278 0.000 1.107 175 Y CB 0.929 39.156 38.460 -0.388 0.000 1.033 175 Y HN -0.600 7.567 8.280 -0.010 0.107 0.502 176 Y N -5.249 115.131 120.300 0.135 0.000 2.509 176 Y HA -0.321 nan 4.550 nan 0.000 0.293 176 Y C -0.479 175.399 175.900 -0.037 0.000 1.133 176 Y CA 2.535 60.662 58.100 0.045 0.000 1.283 176 Y CB -0.122 38.404 38.460 0.112 0.000 1.001 176 Y HN -0.255 8.161 8.280 0.228 0.000 0.555 177 K N -6.065 114.368 120.400 0.056 0.000 3.077 177 K HA -0.418 nan 4.320 nan 0.000 0.264 177 K C -0.983 175.639 176.600 0.036 0.000 1.008 177 K CA 0.597 56.884 56.287 0.001 0.000 0.740 177 K CB -2.576 29.896 32.500 -0.046 0.000 1.273 177 K HN -0.411 7.748 8.250 0.039 0.114 0.477 178 A N -2.139 120.726 122.820 0.075 0.000 2.312 178 A HA 0.286 nan 4.320 nan 0.000 0.310 178 A C -1.723 175.880 177.584 0.031 0.000 1.139 178 A CA -1.411 50.658 52.037 0.054 0.000 0.886 178 A CB 2.072 21.111 19.000 0.066 0.000 1.350 178 A HN -0.095 8.118 8.150 0.109 0.002 0.479 179 E N -0.631 119.581 120.200 0.020 0.000 2.338 179 E HA -0.031 nan 4.350 nan 0.000 0.272 179 E C -0.893 175.720 176.600 0.022 0.000 1.029 179 E CA -0.179 56.230 56.400 0.015 0.000 0.872 179 E CB 0.253 29.959 29.700 0.011 0.000 1.015 179 E HN -0.040 8.331 8.360 0.018 0.000 0.417 180 A N 2.706 125.539 122.820 0.022 0.000 2.386 180 A HA 0.160 nan 4.320 nan 0.000 0.248 180 A C -0.716 176.893 177.584 0.043 0.000 1.082 180 A CA -0.108 51.949 52.037 0.033 0.000 0.789 180 A CB 1.037 20.053 19.000 0.028 0.000 1.025 180 A HN 0.152 8.310 8.150 0.014 0.000 0.490 181 V N 1.228 121.179 119.914 0.061 0.000 2.439 181 V HA -0.007 nan 4.120 nan 0.000 0.282 181 V C -0.585 175.557 176.094 0.080 0.000 1.039 181 V CA -0.289 62.053 62.300 0.071 0.000 0.913 181 V CB 0.952 32.839 31.823 0.106 0.000 0.983 181 V HN 0.426 9.049 8.190 0.068 -0.393 0.460 182 D N 5.805 126.248 120.400 0.071 0.000 2.371 182 D HA -0.034 nan 4.640 nan 0.000 0.256 182 D C 0.069 176.436 176.300 0.112 0.000 1.193 182 D CA 0.003 54.057 54.000 0.091 0.000 0.881 182 D CB 1.565 42.407 40.800 0.070 0.000 1.143 182 D HN 0.034 8.437 8.370 0.056 0.000 0.473 183 Y N 8.777 129.089 120.300 0.020 0.000 2.165 183 Y HA -0.539 nan 4.550 nan 0.000 0.286 183 Y C 1.344 177.263 175.900 0.031 0.000 1.155 183 Y CA 4.280 62.389 58.100 0.016 0.000 1.164 183 Y CB 0.298 38.755 38.460 -0.005 0.000 0.978 183 Y HN 0.554 8.982 8.280 0.246 0.000 0.513 184 Q N -2.105 117.795 119.800 0.165 0.000 2.167 184 Q HA -0.317 nan 4.340 nan 0.000 0.202 184 Q C 2.261 178.252 176.000 -0.014 0.000 0.970 184 Q CA 2.974 58.818 55.803 0.069 0.000 0.855 184 Q CB -0.823 27.998 28.738 0.138 0.000 0.911 184 Q HN -0.262 8.276 8.270 0.260 -0.112 0.438 185 K N 0.512 120.914 120.400 0.004 0.000 2.002 185 K HA -0.272 nan 4.320 nan 0.000 0.209 185 K C 2.094 178.674 176.600 -0.032 0.000 1.048 185 K CA 2.999 59.283 56.287 -0.005 0.000 0.930 185 K CB -0.481 32.025 32.500 0.009 0.000 0.714 185 K HN -0.221 8.349 8.250 0.035 -0.298 0.438 186 V N 0.350 120.236 119.914 -0.046 0.000 2.282 186 V HA -0.401 nan 4.120 nan 0.000 0.249 186 V C 2.135 178.190 176.094 -0.065 0.000 1.057 186 V CA 4.475 66.750 62.300 -0.042 0.000 1.032 186 V CB -0.859 30.958 31.823 -0.009 0.000 0.645 186 V HN -0.403 7.767 8.190 -0.033 0.000 0.447 187 L N -1.353 119.755 121.223 -0.191 0.000 2.042 187 L HA -0.441 nan 4.340 nan 0.000 0.210 187 L C 1.562 178.414 176.870 -0.029 0.000 1.076 187 L CA 3.525 58.286 54.840 -0.132 0.000 0.749 187 L CB -0.615 41.254 42.059 -0.316 0.000 0.893 187 L HN 0.243 8.276 8.230 -0.329 0.000 0.432 188 D N -0.816 119.562 120.400 -0.037 0.000 2.097 188 D HA -0.332 nan 4.640 nan 0.000 0.197 188 D C 2.440 178.725 176.300 -0.024 0.000 0.984 188 D CA 3.580 57.569 54.000 -0.018 0.000 0.826 188 D CB -0.698 40.096 40.800 -0.010 0.000 0.973 188 D HN -0.141 8.197 8.370 -0.053 0.000 0.460 189 D N 0.388 120.773 120.400 -0.026 0.000 2.087 189 D HA -0.249 nan 4.640 nan 0.000 0.192 189 D C 3.076 179.350 176.300 -0.044 0.000 0.993 189 D CA 3.497 57.477 54.000 -0.033 0.000 0.828 189 D CB 0.060 40.842 40.800 -0.030 0.000 0.968 189 D HN -0.009 8.346 8.370 -0.025 0.000 0.448 190 T N 3.256 117.793 114.554 -0.028 0.000 2.699 190 T HA -0.323 nan 4.350 nan 0.000 0.268 190 T C 2.057 176.679 174.700 -0.130 0.000 1.036 190 T CA 4.333 66.399 62.100 -0.057 0.000 1.147 190 T CB -0.298 68.596 68.868 0.043 0.000 0.862 190 T HN 0.003 8.241 8.240 -0.004 0.000 0.446 191 M N -1.315 118.228 119.600 -0.094 0.000 2.394 191 M HA -0.088 nan 4.480 nan 0.000 0.264 191 M C 1.400 177.642 176.300 -0.097 0.000 1.073 191 M CA 1.162 56.393 55.300 -0.116 0.000 1.111 191 M CB -1.202 31.365 32.600 -0.056 0.000 1.401 191 M HN -0.078 8.185 8.290 -0.042 0.002 0.448 192 A N -2.293 120.482 122.820 -0.075 0.000 2.119 192 A HA -0.068 nan 4.320 nan 0.000 0.217 192 A C 1.110 178.648 177.584 -0.077 0.000 1.153 192 A CA 2.195 54.194 52.037 -0.063 0.000 0.692 192 A CB -0.056 18.916 19.000 -0.048 0.000 0.799 192 A HN -0.244 7.725 8.150 -0.066 0.141 0.458 193 V N -8.046 111.807 119.914 -0.101 0.000 3.612 193 V HA 0.282 nan 4.120 nan 0.000 0.268 193 V C 1.331 177.336 176.094 -0.147 0.000 1.365 193 V CA -0.562 61.673 62.300 -0.108 0.000 1.044 193 V CB -0.092 31.671 31.823 -0.100 0.000 0.820 193 V HN -0.660 7.428 8.190 -0.111 0.035 0.444 194 A N 1.879 124.583 122.820 -0.194 0.000 1.957 194 A HA -0.572 nan 4.320 nan 0.000 0.224 194 A C 1.220 178.654 177.584 -0.250 0.000 1.287 194 A CA 3.945 55.819 52.037 -0.270 0.000 0.682 194 A CB -0.941 17.870 19.000 -0.316 0.000 0.833 194 A HN 0.242 8.278 8.150 -0.191 0.000 0.482 195 D N -2.064 118.228 120.400 -0.180 0.000 2.117 195 D HA -0.294 nan 4.640 nan 0.000 0.197 195 D C 2.284 178.511 176.300 -0.122 0.000 0.987 195 D CA 4.278 58.191 54.000 -0.144 0.000 0.829 195 D CB -0.254 40.492 40.800 -0.090 0.000 0.961 195 D HN 0.077 8.351 8.370 -0.154 0.003 0.460 196 I N -0.201 120.306 120.570 -0.105 0.000 2.163 196 I HA -0.541 nan 4.170 nan 0.000 0.243 196 I C 1.939 178.001 176.117 -0.090 0.000 1.085 196 I CA 3.631 64.882 61.300 -0.080 0.000 1.347 196 I CB -0.223 37.735 38.000 -0.071 0.000 1.044 196 I HN -0.132 7.919 8.210 -0.108 0.094 0.408 197 L N -1.917 119.231 121.223 -0.126 0.000 2.005 197 L HA -0.378 nan 4.340 nan 0.000 0.207 197 L C 2.992 179.767 176.870 -0.157 0.000 1.072 197 L CA 3.351 58.111 54.840 -0.133 0.000 0.744 197 L CB -0.836 41.125 42.059 -0.163 0.000 0.895 197 L HN -0.147 7.997 8.230 -0.143 0.000 0.433 198 T N -3.383 111.007 114.554 -0.274 0.000 2.881 198 T HA -0.251 nan 4.350 nan 0.000 0.270 198 T C 2.924 177.583 174.700 -0.068 0.000 1.068 198 T CA 3.672 65.547 62.100 -0.374 0.000 1.131 198 T CB -0.523 67.786 68.868 -0.932 0.000 0.871 198 T HN 0.346 8.403 8.240 -0.306 0.000 0.479 199 S N 4.324 119.995 115.700 -0.048 0.000 2.423 199 S HA -0.182 nan 4.470 nan 0.000 0.231 199 S C 0.919 175.540 174.600 0.035 0.000 1.014 199 S CA 2.977 61.187 58.200 0.018 0.000 0.965 199 S CB -0.384 62.815 63.200 -0.002 0.000 0.785 199 S HN 0.110 8.357 8.310 -0.090 0.010 0.495 200 M N -0.110 119.500 119.600 0.017 0.000 2.495 200 M HA 0.062 nan 4.480 nan 0.000 0.237 200 M C -1.211 175.124 176.300 0.057 0.000 1.131 200 M CA -0.184 55.134 55.300 0.031 0.000 1.032 200 M CB 0.897 33.505 32.600 0.013 0.000 1.513 200 M HN -0.664 7.480 8.290 -0.015 0.137 0.488 201 V N 0.690 120.662 119.914 0.096 0.000 2.673 201 V HA 0.096 nan 4.120 nan 0.000 0.303 201 V C -0.585 175.575 176.094 0.111 0.000 1.046 201 V CA 1.945 64.329 62.300 0.141 0.000 1.126 201 V CB -0.137 31.870 31.823 0.307 0.000 0.934 201 V HN -0.758 7.318 8.190 0.103 0.176 0.487 202 V N 6.245 126.207 119.914 0.080 0.000 3.181 202 V HA 0.421 nan 4.120 nan 0.000 0.308 202 V C -1.869 174.247 176.094 0.037 0.000 1.214 202 V CA -1.919 60.410 62.300 0.048 0.000 1.053 202 V CB 4.794 36.637 31.823 0.033 0.000 1.069 202 V HN 0.644 8.883 8.190 0.080 0.000 0.441 203 D N 4.884 125.293 120.400 0.015 0.000 2.500 203 D HA 0.198 nan 4.640 nan 0.000 0.219 203 D C 0.306 176.605 176.300 -0.002 0.000 1.137 203 D CA -0.858 53.148 54.000 0.011 0.000 0.946 203 D CB -0.607 40.194 40.800 0.001 0.000 1.022 203 D HN 0.096 8.471 8.370 0.008 0.000 0.518 204 V N 4.849 124.767 119.914 0.007 0.000 2.392 204 V HA -0.330 nan 4.120 nan 0.000 0.249 204 V C 0.901 176.992 176.094 -0.004 0.000 1.059 204 V CA 3.093 65.387 62.300 -0.011 0.000 1.051 204 V CB 0.010 31.841 31.823 0.014 0.000 0.658 204 V HN 0.056 8.261 8.190 0.025 0.000 0.455 205 S N -0.323 115.391 115.700 0.024 0.000 2.359 205 S HA -0.375 nan 4.470 nan 0.000 0.222 205 S C 2.184 176.793 174.600 0.016 0.000 1.038 205 S CA 4.040 62.261 58.200 0.036 0.000 1.051 205 S CB -0.908 62.317 63.200 0.041 0.000 0.944 205 S HN -0.097 8.295 8.310 0.031 -0.064 0.433 206 D N 1.598 122.000 120.400 0.002 0.000 2.144 206 D HA -0.183 nan 4.640 nan 0.000 0.199 206 D C 2.243 178.521 176.300 -0.038 0.000 0.984 206 D CA 2.690 56.684 54.000 -0.010 0.000 0.834 206 D CB 0.152 40.948 40.800 -0.007 0.000 0.955 206 D HN -0.821 7.810 8.370 0.004 -0.258 0.465 207 L N 0.533 121.714 121.223 -0.069 0.000 2.012 207 L HA -0.377 nan 4.340 nan 0.000 0.210 207 L C 1.562 178.319 176.870 -0.187 0.000 1.073 207 L CA 3.327 58.081 54.840 -0.143 0.000 0.748 207 L CB 0.010 41.947 42.059 -0.203 0.000 0.891 207 L HN -0.303 7.895 8.230 -0.054 0.000 0.431 208 L N -3.401 117.734 121.223 -0.147 0.000 2.191 208 L HA -0.466 nan 4.340 nan 0.000 0.212 208 L C 2.486 179.336 176.870 -0.033 0.000 1.103 208 L CA 2.977 57.762 54.840 -0.092 0.000 0.769 208 L CB -0.755 41.316 42.059 0.020 0.000 0.908 208 L HN -0.045 8.121 8.230 -0.108 0.000 0.438 209 D N -0.949 119.435 120.400 -0.028 0.000 2.123 209 D HA -0.208 nan 4.640 nan 0.000 0.200 209 D C 2.055 178.325 176.300 -0.051 0.000 0.976 209 D CA 3.312 57.289 54.000 -0.038 0.000 0.831 209 D CB 0.107 40.901 40.800 -0.010 0.000 0.974 209 D HN -0.596 7.651 8.370 -0.023 0.109 0.469 210 Q N -0.754 119.024 119.800 -0.037 0.000 1.967 210 Q HA -0.340 nan 4.340 nan 0.000 0.202 210 Q C 2.354 178.355 176.000 0.002 0.000 0.985 210 Q CA 2.745 58.537 55.803 -0.019 0.000 0.839 210 Q CB -0.567 28.165 28.738 -0.009 0.000 0.906 210 Q HN -0.029 8.216 8.270 -0.042 0.000 0.423 211 A N -0.267 122.561 122.820 0.013 0.000 1.940 211 A HA -0.441 nan 4.320 nan 0.000 0.221 211 A C 1.784 179.416 177.584 0.081 0.000 1.190 211 A CA 3.254 55.358 52.037 0.111 0.000 0.647 211 A CB -0.863 18.208 19.000 0.119 0.000 0.821 211 A HN 0.510 8.633 8.150 -0.045 0.000 0.457 212 R N -2.199 118.310 120.500 0.015 0.000 2.055 212 R HA -0.328 nan 4.340 nan 0.000 0.228 212 R C 2.888 179.154 176.300 -0.056 0.000 1.143 212 R CA 3.235 59.316 56.100 -0.032 0.000 0.945 212 R CB -0.194 30.011 30.300 -0.159 0.000 0.841 212 R HN -0.381 7.794 8.270 -0.011 0.088 0.429 213 Q N -0.035 119.720 119.800 -0.075 0.000 2.197 213 Q HA -0.285 nan 4.340 nan 0.000 0.207 213 Q C 2.294 178.282 176.000 -0.021 0.000 0.984 213 Q CA 2.946 58.714 55.803 -0.059 0.000 0.869 213 Q CB -0.155 28.553 28.738 -0.050 0.000 0.906 213 Q HN 0.058 8.173 8.270 -0.081 0.106 0.426 214 R N -4.660 115.839 120.500 -0.001 0.000 2.323 214 R HA -0.056 nan 4.340 nan 0.000 0.198 214 R C 0.796 177.101 176.300 0.009 0.000 0.988 214 R CA 0.047 56.150 56.100 0.006 0.000 1.041 214 R CB 0.120 30.431 30.300 0.019 0.000 0.926 214 R HN 0.016 8.278 8.270 0.003 0.009 0.476 215 G N -1.324 107.495 108.800 0.031 0.000 2.184 215 G HA2 -0.317 nan 3.960 nan 0.000 0.264 215 G HA3 -0.317 nan 3.960 nan 0.000 0.264 215 G C 0.208 175.164 174.900 0.093 0.000 0.975 215 G CA -0.015 45.122 45.100 0.062 0.000 0.642 215 G HN -0.119 7.983 8.290 0.026 0.204 0.536 216 D N 0.512 120.960 120.400 0.080 0.000 2.419 216 D HA -0.074 nan 4.640 nan 0.000 0.236 216 D C -0.014 176.456 176.300 0.284 0.000 1.165 216 D CA 1.354 55.396 54.000 0.071 0.000 0.882 216 D CB 0.659 41.523 40.800 0.107 0.000 1.201 216 D HN -0.109 8.265 8.370 0.081 0.045 0.443 217 F N -0.538 119.369 119.950 -0.073 0.000 2.438 217 F HA 0.176 nan 4.527 nan 0.000 0.356 217 F C -0.163 175.682 175.800 0.075 0.000 1.099 217 F CA -1.621 56.323 58.000 -0.094 0.000 1.185 217 F CB 0.582 39.230 39.000 -0.586 0.000 1.115 217 F HN 0.069 8.365 8.300 -0.005 0.000 0.526 218 V N 5.137 125.286 119.914 0.392 0.000 2.656 218 V HA 0.635 nan 4.120 nan 0.000 0.307 218 V C -2.250 173.985 176.094 0.235 0.000 1.051 218 V CA -1.533 60.919 62.300 0.253 0.000 0.893 218 V CB 2.958 34.863 31.823 0.136 0.000 0.999 218 V HN 1.063 9.522 8.190 0.449 0.000 0.426 219 M N 4.489 124.143 119.600 0.091 0.000 2.393 219 M HA 0.753 nan 4.480 nan 0.000 0.316 219 M C -2.200 174.050 176.300 -0.083 0.000 1.087 219 M CA -1.552 53.812 55.300 0.107 0.000 0.937 219 M CB 4.051 36.760 32.600 0.182 0.000 1.668 219 M HN 0.188 8.515 8.290 0.062 0.000 0.438 220 F N 4.348 124.379 119.950 0.134 0.000 2.427 220 F HA 0.539 nan 4.527 nan 0.000 0.346 220 F C -1.832 174.118 175.800 0.251 0.000 1.120 220 F CA -1.377 56.737 58.000 0.190 0.000 1.033 220 F CB 1.145 40.185 39.000 0.067 0.000 1.126 220 F HN 0.788 9.368 8.300 0.466 0.000 0.462 221 E N 5.266 125.714 120.200 0.413 0.000 2.055 221 E HA 0.441 nan 4.350 nan 0.000 0.274 221 E C -0.146 176.606 176.600 0.254 0.000 0.949 221 E CA -1.841 54.728 56.400 0.283 0.000 0.775 221 E CB 1.889 31.696 29.700 0.178 0.000 1.097 221 E HN 0.403 8.897 8.360 0.403 0.109 0.404 222 G N 4.762 113.716 108.800 0.257 0.000 2.444 222 G HA2 0.421 nan 3.960 nan 0.000 0.268 222 G HA3 0.421 nan 3.960 nan 0.000 0.268 222 G C -1.790 173.120 174.900 0.018 0.000 1.203 222 G CA -0.749 44.386 45.100 0.059 0.000 0.835 222 G HN 0.881 9.228 8.290 0.272 0.106 0.543 223 A N 3.873 126.656 122.820 -0.062 0.000 2.269 223 A HA 0.585 nan 4.320 nan 0.000 0.327 223 A C -0.965 176.646 177.584 0.043 0.000 1.112 223 A CA -1.169 50.905 52.037 0.061 0.000 0.865 223 A CB 1.731 20.732 19.000 0.002 0.000 1.227 223 A HN 0.731 9.279 8.150 -0.241 -0.543 0.498 224 Q N -2.016 117.830 119.800 0.077 0.000 0.976 224 Q HA -0.375 nan 4.340 nan 0.000 0.388 224 Q C -0.501 175.525 176.000 0.043 0.000 1.040 224 Q CA 1.604 57.441 55.803 0.058 0.000 0.466 224 Q CB -0.203 28.557 28.738 0.038 0.000 5.189 224 Q HN 0.468 8.809 8.270 0.119 0.000 0.463 225 G N -5.906 102.911 108.800 0.027 0.000 2.658 225 G HA2 0.351 nan 3.960 nan 0.000 0.292 225 G HA3 0.351 nan 3.960 nan 0.000 0.292 225 G C 0.097 174.967 174.900 -0.050 0.000 1.320 225 G CA -1.557 43.532 45.100 -0.018 0.000 0.933 225 G HN -0.326 7.986 8.290 0.036 0.000 0.476 226 T N 4.545 119.046 114.554 -0.088 0.000 2.597 226 T HA -0.371 nan 4.350 nan 0.000 0.267 226 T C 2.305 176.943 174.700 -0.104 0.000 1.053 226 T CA 5.143 67.194 62.100 -0.081 0.000 1.165 226 T CB -0.112 68.697 68.868 -0.099 0.000 0.863 226 T HN 0.078 8.263 8.240 -0.091 0.000 0.427 227 L N -1.141 119.917 121.223 -0.274 0.000 2.633 227 L HA -0.175 nan 4.340 nan 0.000 0.235 227 L C 0.692 177.514 176.870 -0.080 0.000 1.163 227 L CA 1.930 56.604 54.840 -0.277 0.000 0.859 227 L CB -1.076 40.554 42.059 -0.715 0.000 0.973 227 L HN 0.066 8.041 8.230 -0.425 0.000 0.451 228 L N -2.704 118.503 121.223 -0.026 0.000 2.640 228 L HA 0.046 nan 4.340 nan 0.000 0.230 228 L C -0.103 176.793 176.870 0.043 0.000 1.123 228 L CA -0.916 53.956 54.840 0.055 0.000 0.900 228 L CB 0.129 42.228 42.059 0.066 0.000 1.146 228 L HN -0.092 7.890 8.230 -0.057 0.214 0.484 229 D N 1.214 121.643 120.400 0.049 0.000 2.487 229 D HA -0.206 nan 4.640 nan 0.000 0.243 229 D C 0.744 177.086 176.300 0.071 0.000 1.154 229 D CA 1.683 55.725 54.000 0.070 0.000 0.876 229 D CB 1.220 42.102 40.800 0.136 0.000 1.161 229 D HN 0.227 8.449 8.370 0.036 0.171 0.478 230 I N 7.635 128.224 120.570 0.032 0.000 2.194 230 I HA -0.437 nan 4.170 nan 0.000 0.246 230 I C 0.115 176.272 176.117 0.067 0.000 1.093 230 I CA 2.532 63.862 61.300 0.049 0.000 1.355 230 I CB 0.304 38.293 38.000 -0.017 0.000 1.046 230 I HN -0.105 8.106 8.210 0.002 0.000 0.413 231 D N -2.417 117.955 120.400 -0.047 0.000 2.144 231 D HA -0.083 nan 4.640 nan 0.000 0.207 231 D C 1.413 177.520 176.300 -0.322 0.000 0.970 231 D CA 2.810 56.660 54.000 -0.249 0.000 0.853 231 D CB 0.823 41.353 40.800 -0.451 0.000 1.007 231 D HN -0.271 8.305 8.370 -0.021 -0.219 0.469 232 H N -3.041 116.063 119.070 0.056 0.000 2.551 232 H HA 0.231 nan 4.556 nan 0.000 0.271 232 H C 0.316 175.704 175.328 0.099 0.000 0.984 232 H CA 0.538 56.626 56.048 0.067 0.000 1.164 232 H CB 1.215 30.998 29.762 0.036 0.000 1.437 232 H HN 0.065 8.776 8.280 -0.007 -0.434 0.550 233 G N -1.801 107.104 108.800 0.174 0.000 2.537 233 G HA2 0.242 nan 3.960 nan 0.000 0.297 233 G HA3 0.242 nan 3.960 nan 0.000 0.297 233 G C -0.308 174.709 174.900 0.195 0.000 1.310 233 G CA -0.886 44.305 45.100 0.151 0.000 1.027 233 G HN -0.210 8.057 8.290 0.142 0.108 0.505 234 T N -0.245 114.393 114.554 0.141 0.000 4.280 234 T HA -0.003 nan 4.350 nan 0.000 0.245 234 T C -0.270 174.564 174.700 0.223 0.000 1.100 234 T CA -0.879 61.295 62.100 0.124 0.000 1.137 234 T CB -2.231 66.556 68.868 -0.134 0.000 1.296 234 T HN -0.109 8.193 8.240 0.102 0.000 0.998 235 Y N 6.558 126.923 120.300 0.109 0.000 2.712 235 Y HA -0.205 nan 4.550 nan 0.000 0.333 235 Y C -1.263 174.672 175.900 0.058 0.000 1.225 235 Y CA -0.203 57.927 58.100 0.051 0.000 1.499 235 Y CB 0.835 39.315 38.460 0.034 0.000 1.288 235 Y HN 0.317 8.754 8.280 0.355 0.056 0.575 236 P HA 0.034 nan 4.420 nan 0.000 0.258 236 P C -1.509 175.350 177.300 -0.735 0.000 1.416 236 P CA 0.380 62.870 63.100 -1.017 0.000 0.927 236 P CB -0.295 30.822 31.700 -0.972 0.000 1.444 237 Y N 2.452 122.650 120.300 -0.170 0.000 2.736 237 Y HA 0.005 nan 4.550 nan 0.000 0.339 237 Y C -1.567 174.293 175.900 -0.067 0.000 1.301 237 Y CA -0.302 57.731 58.100 -0.110 0.000 1.676 237 Y CB -2.301 36.107 38.460 -0.087 0.000 1.725 237 Y HN 0.285 8.407 8.280 0.010 0.164 0.466 238 V N -5.220 114.675 119.914 -0.031 0.000 3.181 238 V HA 0.562 nan 4.120 nan 0.000 0.308 238 V C -1.335 174.743 176.094 -0.026 0.000 1.214 238 V CA -2.877 59.430 62.300 0.011 0.000 1.053 238 V CB 3.504 35.342 31.823 0.025 0.000 1.069 238 V HN -0.586 7.478 8.190 -0.149 0.036 0.441 239 T N 0.207 114.756 114.554 -0.008 0.000 2.824 239 T HA 0.246 nan 4.350 nan 0.000 0.277 239 T C -0.071 174.585 174.700 -0.072 0.000 0.975 239 T CA -1.716 60.368 62.100 -0.027 0.000 0.966 239 T CB 0.549 69.412 68.868 -0.008 0.000 1.054 239 T HN 0.394 8.523 8.240 0.011 0.117 0.533 240 S N 0.675 116.309 115.700 -0.110 0.000 2.634 240 S HA 0.177 nan 4.470 nan 0.000 0.221 240 S C -1.036 173.222 174.600 -0.569 0.000 0.952 240 S CA 0.900 58.957 58.200 -0.239 0.000 0.930 240 S CB 0.334 63.459 63.200 -0.126 0.000 0.780 240 S HN 0.279 8.558 8.310 -0.050 0.000 0.498 241 S N 0.214 115.669 115.700 -0.409 0.000 2.607 241 S HA 0.153 nan 4.470 nan 0.000 0.303 241 S C -1.382 173.133 174.600 -0.142 0.000 1.086 241 S CA -1.608 56.342 58.200 -0.417 0.000 0.995 241 S CB 2.843 65.894 63.200 -0.250 0.000 1.084 241 S HN -0.649 7.456 8.310 -0.218 0.074 0.507 242 N N 3.494 122.156 118.700 -0.062 0.000 2.399 242 N HA 0.082 nan 4.740 nan 0.000 0.259 242 N C 0.381 175.947 175.510 0.093 0.000 1.160 242 N CA 0.927 54.001 53.050 0.039 0.000 0.946 242 N CB 0.452 38.983 38.487 0.074 0.000 1.156 242 N HN 0.379 8.712 8.380 -0.078 0.000 0.489 243 T N -0.645 113.953 114.554 0.073 0.000 2.985 243 T HA -0.007 nan 4.350 nan 0.000 0.266 243 T C 0.886 175.675 174.700 0.149 0.000 1.076 243 T CA 1.163 63.315 62.100 0.086 0.000 1.135 243 T CB 0.290 69.183 68.868 0.042 0.000 0.890 243 T HN 0.003 8.366 8.240 0.056 -0.089 0.480 244 T N 0.180 114.800 114.554 0.111 0.000 2.855 244 T HA -0.019 nan 4.350 nan 0.000 0.314 244 T C 0.975 175.709 174.700 0.057 0.000 1.077 244 T CA -0.754 61.384 62.100 0.064 0.000 1.095 244 T CB 0.752 69.619 68.868 -0.001 0.000 0.987 244 T HN -0.626 7.906 8.240 0.103 -0.229 0.546 245 A N 2.804 125.610 122.820 -0.024 0.000 2.038 245 A HA -0.464 nan 4.320 nan 0.000 0.224 245 A C 2.192 179.675 177.584 -0.168 0.000 1.190 245 A CA 3.111 55.078 52.037 -0.117 0.000 0.668 245 A CB -0.836 18.077 19.000 -0.145 0.000 0.820 245 A HN 0.983 9.572 8.150 -0.036 -0.461 0.474 246 G N -1.933 106.811 108.800 -0.093 0.000 2.448 246 G HA2 -0.379 nan 3.960 nan 0.000 0.219 246 G HA3 -0.379 nan 3.960 nan 0.000 0.219 246 G C 1.249 176.113 174.900 -0.061 0.000 1.127 246 G CA 0.976 46.027 45.100 -0.081 0.000 0.766 246 G HN 0.282 8.501 8.290 -0.062 0.034 0.552 247 G N 0.279 109.091 108.800 0.021 0.000 2.448 247 G HA2 -0.270 nan 3.960 nan 0.000 0.219 247 G HA3 -0.270 nan 3.960 nan 0.000 0.219 247 G C 0.732 175.582 174.900 -0.083 0.000 1.127 247 G CA 1.567 46.762 45.100 0.158 0.000 0.766 247 G HN 0.553 8.736 8.290 0.068 0.147 0.552 248 V N 2.869 122.420 119.914 -0.604 0.000 2.282 248 V HA -0.452 nan 4.120 nan 0.000 0.249 248 V C 1.805 177.684 176.094 -0.359 0.000 1.057 248 V CA 4.145 65.951 62.300 -0.824 0.000 1.032 248 V CB -0.782 30.465 31.823 -0.959 0.000 0.645 248 V HN -0.093 7.635 8.190 -0.550 0.132 0.447 249 A N -2.504 120.168 122.820 -0.248 0.000 1.897 249 A HA -0.204 nan 4.320 nan 0.000 0.215 249 A C 2.127 179.693 177.584 -0.031 0.000 1.181 249 A CA 3.449 55.409 52.037 -0.128 0.000 0.620 249 A CB -0.505 18.423 19.000 -0.120 0.000 0.821 249 A HN -0.274 7.722 8.150 -0.256 0.000 0.443 250 T N -3.946 110.606 114.554 -0.003 0.000 2.942 250 T HA -0.084 nan 4.350 nan 0.000 0.265 250 T C 2.053 176.815 174.700 0.104 0.000 1.062 250 T CA 3.069 65.200 62.100 0.051 0.000 1.139 250 T CB -0.013 68.890 68.868 0.059 0.000 0.883 250 T HN -0.526 7.700 8.240 -0.024 0.000 0.468 251 G N -0.350 108.540 108.800 0.150 0.000 2.838 251 G HA2 0.192 nan 3.960 nan 0.000 0.210 251 G HA3 0.192 nan 3.960 nan 0.000 0.210 251 G C 0.459 175.502 174.900 0.237 0.000 1.153 251 G CA 0.661 45.903 45.100 0.236 0.000 0.778 251 G HN 0.568 8.813 8.290 0.127 0.122 0.539 252 S N -0.625 115.191 115.700 0.194 0.000 2.613 252 S HA 0.200 nan 4.470 nan 0.000 0.235 252 S C 0.977 175.670 174.600 0.156 0.000 1.073 252 S CA 0.551 58.887 58.200 0.227 0.000 0.899 252 S CB 2.435 65.877 63.200 0.403 0.000 0.818 252 S HN -0.528 7.859 8.310 0.129 0.000 0.484 253 G N 2.004 110.873 108.800 0.114 0.000 2.192 253 G HA2 -0.270 nan 3.960 nan 0.000 0.193 253 G HA3 -0.270 nan 3.960 nan 0.000 0.193 253 G C -1.005 173.950 174.900 0.092 0.000 0.999 253 G CA -0.165 44.988 45.100 0.088 0.000 0.659 253 G HN -0.484 7.861 8.290 0.092 0.000 0.503 254 L N 2.001 123.288 121.223 0.107 0.000 2.380 254 L HA 0.049 nan 4.340 nan 0.000 0.273 254 L C 0.068 176.973 176.870 0.058 0.000 1.138 254 L CA 0.438 55.356 54.840 0.130 0.000 0.832 254 L CB 1.000 43.153 42.059 0.156 0.000 1.124 254 L HN -0.851 7.402 8.230 0.117 0.048 0.454 255 G N 3.764 112.628 108.800 0.107 0.000 2.432 255 G HA2 0.102 nan 3.960 nan 0.000 0.239 255 G HA3 0.102 nan 3.960 nan 0.000 0.239 255 G C -0.417 174.377 174.900 -0.176 0.000 1.291 255 G CA -1.504 43.553 45.100 -0.073 0.000 0.863 255 G HN 0.101 8.548 8.290 0.260 0.000 0.560 256 P HA -0.235 nan 4.420 nan 0.000 0.217 256 P C 1.433 178.591 177.300 -0.237 0.000 1.148 256 P CA 2.086 65.068 63.100 -0.197 0.000 0.828 256 P CB 0.277 31.879 31.700 -0.163 0.000 0.783 257 R N -2.833 117.449 120.500 -0.364 0.000 2.293 257 R HA -0.166 nan 4.340 nan 0.000 0.219 257 R C 1.129 177.226 176.300 -0.339 0.000 1.091 257 R CA 1.926 57.785 56.100 -0.401 0.000 1.004 257 R CB -0.531 29.485 30.300 -0.473 0.000 0.865 257 R HN 0.326 8.333 8.270 -0.405 0.020 0.469 258 Y N -3.748 116.529 120.300 -0.039 0.000 2.625 258 Y HA 0.077 nan 4.550 nan 0.000 0.285 258 Y C -0.777 175.105 175.900 -0.029 0.000 1.168 258 Y CA -1.049 57.044 58.100 -0.012 0.000 1.250 258 Y CB -0.738 37.734 38.460 0.019 0.000 1.130 258 Y HN -0.462 7.496 8.280 -0.273 0.158 0.526 259 V N 0.894 120.815 119.914 0.011 0.000 2.385 259 V HA -0.123 nan 4.120 nan 0.000 0.269 259 V C -0.236 175.853 176.094 -0.008 0.000 1.043 259 V CA 0.491 62.758 62.300 -0.055 0.000 0.906 259 V CB -0.438 31.279 31.823 -0.177 0.000 0.995 259 V HN -0.463 7.629 8.190 -0.055 0.065 0.467 260 D N 8.396 128.822 120.400 0.043 0.000 2.202 260 D HA 0.078 nan 4.640 nan 0.000 0.214 260 D C -0.849 175.494 176.300 0.073 0.000 0.967 260 D CA 2.951 56.989 54.000 0.063 0.000 0.871 260 D CB 1.291 42.148 40.800 0.094 0.000 1.020 260 D HN 0.200 8.611 8.370 0.067 0.000 0.474 261 Y N -1.345 118.901 120.300 -0.090 0.000 2.406 261 Y HA 0.135 nan 4.550 nan 0.000 0.340 261 Y C -2.858 172.966 175.900 -0.127 0.000 0.975 261 Y CA -0.864 57.164 58.100 -0.119 0.000 1.056 261 Y CB 3.415 41.785 38.460 -0.150 0.000 1.210 261 Y HN -0.527 7.824 8.280 0.117 0.000 0.448 262 V N 8.051 127.790 119.914 -0.291 0.000 2.313 262 V HA 0.448 nan 4.120 nan 0.000 0.278 262 V C -1.818 174.122 176.094 -0.257 0.000 1.017 262 V CA -1.316 60.866 62.300 -0.196 0.000 0.823 262 V CB 0.559 32.249 31.823 -0.222 0.000 1.010 262 V HN 0.501 8.355 8.190 -0.560 0.000 0.443 263 L N 9.142 130.372 121.223 0.011 0.000 2.261 263 L HA 0.678 nan 4.340 nan 0.000 0.289 263 L C -1.249 175.651 176.870 0.049 0.000 1.059 263 L CA -1.145 53.750 54.840 0.093 0.000 0.816 263 L CB 1.631 43.843 42.059 0.254 0.000 1.191 263 L HN 1.037 9.209 8.230 0.090 0.111 0.431 264 G N 6.808 115.628 108.800 0.033 0.000 2.339 264 G HA2 0.411 nan 3.960 nan 0.000 0.287 264 G HA3 0.411 nan 3.960 nan 0.000 0.287 264 G C -1.474 173.561 174.900 0.225 0.000 1.163 264 G CA -1.137 44.041 45.100 0.130 0.000 0.872 264 G HN 0.553 8.815 8.290 -0.046 0.000 0.464 265 I N 5.392 126.036 120.570 0.123 0.000 2.519 265 I HA 0.486 nan 4.170 nan 0.000 0.287 265 I C -1.427 174.714 176.117 0.039 0.000 1.047 265 I CA -1.748 59.597 61.300 0.074 0.000 1.381 265 I CB 0.024 38.036 38.000 0.020 0.000 1.417 265 I HN 1.158 9.306 8.210 0.087 0.114 0.540 266 L N 7.845 129.040 121.223 -0.047 0.000 2.406 266 L HA 0.416 nan 4.340 nan 0.000 0.272 266 L C -2.105 174.699 176.870 -0.112 0.000 0.980 266 L CA -0.997 53.741 54.840 -0.170 0.000 0.831 266 L CB 3.307 45.117 42.059 -0.414 0.000 1.253 266 L HN 0.663 8.883 8.230 -0.017 0.000 0.406 267 K N 8.834 129.164 120.400 -0.116 0.000 2.446 267 K HA -0.009 nan 4.320 nan 0.000 0.203 267 K C 0.169 176.699 176.600 -0.117 0.000 1.027 267 K CA -0.198 55.990 56.287 -0.164 0.000 1.166 267 K CB -0.033 32.280 32.500 -0.311 0.000 0.869 267 K HN 0.121 8.460 8.250 -0.112 -0.156 0.504 268 A N -3.783 119.065 122.820 0.047 0.000 4.176 268 A HA -0.341 nan 4.320 nan 0.000 0.267 268 A C -1.121 176.750 177.584 0.478 0.000 0.896 268 A CA 1.953 54.171 52.037 0.302 0.000 1.058 268 A CB -1.370 17.884 19.000 0.423 0.000 1.051 268 A HN 0.501 8.582 8.150 -0.016 0.060 0.794 269 Y N -7.666 112.797 120.300 0.270 0.000 2.677 269 Y HA 0.367 nan 4.550 nan 0.000 0.334 269 Y C -2.754 173.289 175.900 0.238 0.000 1.196 269 Y CA -2.239 56.033 58.100 0.287 0.000 1.059 269 Y CB 1.736 40.328 38.460 0.220 0.000 1.315 269 Y HN -0.650 7.408 8.280 -0.089 0.169 0.455 270 S N 1.209 117.189 115.700 0.466 0.000 2.503 270 S HA 0.494 nan 4.470 nan 0.000 0.301 270 S C -1.560 173.263 174.600 0.371 0.000 1.087 270 S CA -1.200 57.234 58.200 0.391 0.000 1.042 270 S CB 2.824 66.401 63.200 0.629 0.000 1.043 270 S HN 0.050 8.718 8.310 0.596 0.000 0.489 271 T N -1.178 113.453 114.554 0.127 0.000 2.883 271 T HA 0.606 nan 4.350 nan 0.000 0.296 271 T C -2.358 172.108 174.700 -0.389 0.000 1.117 271 T CA -2.161 59.919 62.100 -0.033 0.000 1.006 271 T CB 3.055 71.928 68.868 0.009 0.000 1.191 271 T HN 0.314 8.627 8.240 0.123 0.000 0.508 272 R N 0.273 120.466 120.500 -0.512 0.000 2.536 272 R HA 0.505 nan 4.340 nan 0.000 0.269 272 R C -2.406 173.682 176.300 -0.352 0.000 1.113 272 R CA -0.056 55.641 56.100 -0.673 0.000 0.948 272 R CB 4.370 33.769 30.300 -1.503 0.000 1.237 272 R HN 0.516 8.596 8.270 -0.317 0.000 0.441 273 V N 0.272 120.051 119.914 -0.225 0.000 2.448 273 V HA 0.732 nan 4.120 nan 0.000 0.295 273 V C -0.426 175.597 176.094 -0.119 0.000 1.025 273 V CA -2.427 59.793 62.300 -0.134 0.000 0.859 273 V CB 0.677 32.462 31.823 -0.064 0.000 0.988 273 V HN 0.599 8.672 8.190 -0.195 0.000 0.431 274 G N 4.008 112.749 108.800 -0.098 0.000 2.555 274 G HA2 -0.205 nan 3.960 nan 0.000 0.686 274 G HA3 -0.205 nan 3.960 nan 0.000 0.686 274 G C -1.702 173.136 174.900 -0.102 0.000 1.275 274 G CA -0.868 44.195 45.100 -0.062 0.000 0.871 274 G HN -0.271 7.963 8.290 -0.094 0.000 0.603 275 A N -0.575 122.218 122.820 -0.045 0.000 2.445 275 A HA 0.120 nan 4.320 nan 0.000 0.242 275 A C -0.934 176.415 177.584 -0.392 0.000 1.075 275 A CA 0.578 52.514 52.037 -0.167 0.000 0.777 275 A CB 0.577 19.573 19.000 -0.008 0.000 1.013 275 A HN 0.029 8.201 8.150 0.037 0.000 0.493 276 G N -1.143 107.285 108.800 -0.621 0.000 2.352 276 G HA2 -0.079 nan 3.960 nan 0.000 0.303 276 G HA3 -0.079 nan 3.960 nan 0.000 0.303 276 G C -3.364 171.279 174.900 -0.428 0.000 1.593 276 G CA -0.448 44.275 45.100 -0.629 0.000 0.963 276 G HN -0.442 7.542 8.290 -0.509 0.000 0.685 277 P HA 0.077 nan 4.420 nan 0.000 0.263 277 P C -1.976 175.235 177.300 -0.147 0.000 1.195 277 P CA 0.462 63.415 63.100 -0.244 0.000 0.762 277 P CB 0.394 31.790 31.700 -0.508 0.000 0.799 278 F N 5.310 125.147 119.950 -0.188 0.000 2.971 278 F HA 0.300 nan 4.527 nan 0.000 0.373 278 F C -2.206 173.590 175.800 -0.007 0.000 1.288 278 F CA -4.307 53.563 58.000 -0.216 0.000 1.204 278 F CB 0.143 38.889 39.000 -0.423 0.000 1.852 278 F HN 0.047 8.424 8.300 0.129 0.000 0.624 279 P HA -0.223 nan 4.420 nan 0.000 0.216 279 P C -0.120 177.199 177.300 0.032 0.000 1.167 279 P CA 2.474 65.669 63.100 0.158 0.000 0.914 279 P CB 0.134 31.930 31.700 0.160 0.000 0.793 280 T N -8.632 105.957 114.554 0.058 0.000 3.252 280 T HA 0.001 nan 4.350 nan 0.000 0.250 280 T C 0.201 174.658 174.700 -0.405 0.000 1.123 280 T CA -1.234 60.908 62.100 0.071 0.000 1.006 280 T CB -1.044 68.056 68.868 0.387 0.000 0.992 280 T HN 0.056 8.439 8.240 0.238 0.000 0.547 281 E N 1.913 121.531 120.200 -0.970 0.000 2.465 281 E HA -0.182 nan 4.350 nan 0.000 0.260 281 E C -0.723 175.372 176.600 -0.841 0.000 0.980 281 E CA 0.562 56.180 56.400 -1.303 0.000 0.927 281 E CB 0.497 29.384 29.700 -1.354 0.000 0.934 281 E HN -0.527 7.241 8.360 -0.856 0.078 0.459 282 L N 6.185 126.938 121.223 -0.784 0.000 2.275 282 L HA 0.102 nan 4.340 nan 0.000 0.288 282 L C -0.567 175.958 176.870 -0.575 0.000 1.046 282 L CA -0.605 53.908 54.840 -0.546 0.000 0.805 282 L CB 0.687 42.436 42.059 -0.517 0.000 1.193 282 L HN 0.358 8.113 8.230 -0.792 0.000 0.426 283 F N 1.564 121.417 119.950 -0.161 0.000 2.678 283 F HA 0.074 nan 4.527 nan 0.000 0.305 283 F C 0.008 175.748 175.800 -0.099 0.000 1.090 283 F CA 0.098 58.027 58.000 -0.119 0.000 1.272 283 F CB 0.536 39.480 39.000 -0.093 0.000 1.060 283 F HN 0.363 8.677 8.300 0.024 0.000 0.576 284 D N 0.575 120.986 120.400 0.019 0.000 2.530 284 D HA 0.062 nan 4.640 nan 0.000 0.282 284 D C 1.387 177.658 176.300 -0.047 0.000 1.204 284 D CA -0.957 53.039 54.000 -0.008 0.000 1.093 284 D CB 0.398 41.188 40.800 -0.018 0.000 1.154 284 D HN -0.392 7.890 8.370 -0.051 0.057 0.593 285 E N -1.369 118.805 120.200 -0.042 0.000 2.038 285 E HA -0.312 nan 4.350 nan 0.000 0.195 285 E C 2.348 178.914 176.600 -0.057 0.000 1.000 285 E CA 4.306 60.683 56.400 -0.039 0.000 0.803 285 E CB -0.677 28.999 29.700 -0.039 0.000 0.750 285 E HN 0.432 8.772 8.360 -0.034 0.000 0.448 286 T N 3.281 117.771 114.554 -0.108 0.000 2.699 286 T HA -0.243 nan 4.350 nan 0.000 0.268 286 T C 1.799 176.381 174.700 -0.196 0.000 1.036 286 T CA 4.179 66.182 62.100 -0.161 0.000 1.147 286 T CB -0.620 68.109 68.868 -0.232 0.000 0.862 286 T HN 0.097 8.475 8.240 -0.105 -0.201 0.446 287 G N 1.069 109.726 108.800 -0.239 0.000 2.491 287 G HA2 -0.411 nan 3.960 nan 0.000 0.218 287 G HA3 -0.411 nan 3.960 nan 0.000 0.218 287 G C 0.340 175.135 174.900 -0.176 0.000 1.180 287 G CA 2.206 47.145 45.100 -0.268 0.000 0.774 287 G HN 0.256 8.729 8.290 -0.217 -0.313 0.562 288 E N 2.773 122.913 120.200 -0.100 0.000 2.085 288 E HA -0.390 nan 4.350 nan 0.000 0.194 288 E C 1.612 178.188 176.600 -0.040 0.000 0.994 288 E CA 2.564 58.927 56.400 -0.062 0.000 0.801 288 E CB -0.185 29.503 29.700 -0.019 0.000 0.743 288 E HN -0.393 7.856 8.360 -0.089 0.057 0.453 289 F N 0.942 120.790 119.950 -0.169 0.000 2.011 289 F HA -0.467 nan 4.527 nan 0.000 0.296 289 F C 1.531 177.198 175.800 -0.222 0.000 1.144 289 F CA 3.746 61.645 58.000 -0.169 0.000 1.185 289 F CB 0.078 38.972 39.000 -0.177 0.000 0.961 289 F HN 0.252 8.438 8.300 0.099 0.173 0.485 290 L N -2.051 119.088 121.223 -0.140 0.000 2.034 290 L HA -0.658 nan 4.340 nan 0.000 0.217 290 L C 2.297 178.904 176.870 -0.439 0.000 1.077 290 L CA 3.421 57.992 54.840 -0.449 0.000 0.769 290 L CB -0.643 41.087 42.059 -0.549 0.000 0.890 290 L HN 0.108 8.337 8.230 -0.002 0.000 0.435 291 C N -1.482 117.645 119.300 -0.288 0.000 2.442 291 C HA -0.475 nan 4.460 nan 0.000 0.279 291 C C 2.160 177.045 174.990 -0.174 0.000 1.237 291 C CA 3.934 62.817 59.018 -0.226 0.000 1.722 291 C CB -1.738 25.867 27.740 -0.225 0.000 2.056 291 C HN -0.019 8.066 8.230 -0.248 -0.005 0.469 292 K N -0.408 119.901 120.400 -0.152 0.000 2.015 292 K HA -0.480 nan 4.320 nan 0.000 0.216 292 K C 2.797 179.307 176.600 -0.149 0.000 1.052 292 K CA 3.732 59.969 56.287 -0.084 0.000 0.937 292 K CB -0.226 32.212 32.500 -0.102 0.000 0.719 292 K HN 0.304 8.348 8.250 -0.162 0.109 0.446 293 Q N -1.725 117.857 119.800 -0.364 0.000 2.135 293 Q HA -0.215 nan 4.340 nan 0.000 0.204 293 Q C 1.951 177.830 176.000 -0.202 0.000 0.981 293 Q CA 2.401 57.955 55.803 -0.415 0.000 0.856 293 Q CB 0.008 28.205 28.738 -0.902 0.000 0.902 293 Q HN 0.227 8.199 8.270 -0.497 0.000 0.425 294 G N -3.797 104.905 108.800 -0.165 0.000 3.262 294 G HA2 0.103 nan 3.960 nan 0.000 0.228 294 G HA3 0.103 nan 3.960 nan 0.000 0.228 294 G C -1.534 173.424 174.900 0.097 0.000 1.197 294 G CA -0.922 44.201 45.100 0.038 0.000 0.819 294 G HN 0.024 7.971 8.290 -0.263 0.185 0.531 295 N N -1.021 117.729 118.700 0.084 0.000 2.702 295 N HA -0.513 nan 4.740 nan 0.000 0.255 295 N C -0.663 174.993 175.510 0.243 0.000 0.983 295 N CA 1.383 54.558 53.050 0.207 0.000 0.768 295 N CB -0.305 38.281 38.487 0.165 0.000 0.918 295 N HN -0.399 7.812 8.380 0.026 0.185 0.540 296 E N -1.066 119.162 120.200 0.047 0.000 1.791 296 E HA -0.016 nan 4.350 nan 0.000 0.263 296 E C -1.500 174.854 176.600 -0.409 0.000 1.213 296 E CA -0.620 55.719 56.400 -0.101 0.000 0.991 296 E CB -1.462 28.163 29.700 -0.124 0.000 1.068 296 E HN -0.638 7.711 8.360 -0.017 0.001 0.417 297 F N 2.260 122.226 119.950 0.026 0.000 2.561 297 F HA 0.168 nan 4.527 nan 0.000 0.313 297 F C 0.015 175.830 175.800 0.024 0.000 1.126 297 F CA -1.038 56.973 58.000 0.018 0.000 0.918 297 F CB 3.196 42.205 39.000 0.014 0.000 1.199 297 F HN -0.490 7.951 8.300 0.235 0.000 0.444 298 G N 1.935 110.831 108.800 0.161 0.000 2.147 298 G HA2 -0.229 nan 3.960 nan 0.000 0.269 298 G HA3 -0.229 nan 3.960 nan 0.000 0.269 298 G C 0.199 175.176 174.900 0.128 0.000 0.912 298 G CA 0.578 45.745 45.100 0.112 0.000 1.057 298 G HN 0.988 9.223 8.290 0.129 0.133 0.364 299 A N 3.226 126.112 122.820 0.110 0.000 2.178 299 A HA -0.264 nan 4.320 nan 0.000 0.218 299 A C -0.535 177.143 177.584 0.157 0.000 1.157 299 A CA 2.665 54.764 52.037 0.104 0.000 0.689 299 A CB -0.711 18.324 19.000 0.058 0.000 0.787 299 A HN 0.536 8.742 8.150 0.094 0.000 0.465 300 T N -4.477 110.173 114.554 0.160 0.000 3.056 300 T HA 0.134 nan 4.350 nan 0.000 0.243 300 T C 0.580 175.340 174.700 0.100 0.000 0.995 300 T CA 1.507 63.730 62.100 0.207 0.000 1.091 300 T CB 0.238 69.202 68.868 0.160 0.000 0.990 300 T HN 0.111 8.368 8.240 0.116 0.052 0.464 301 T N -1.785 112.815 114.554 0.076 0.000 3.023 301 T HA 0.314 nan 4.350 nan 0.000 0.253 301 T C 1.434 176.177 174.700 0.071 0.000 1.038 301 T CA -0.398 61.734 62.100 0.053 0.000 0.962 301 T CB -0.057 68.833 68.868 0.037 0.000 1.018 301 T HN -0.158 8.130 8.240 0.081 0.000 0.521 302 G N 2.592 111.453 108.800 0.102 0.000 2.175 302 G HA2 -0.288 nan 3.960 nan 0.000 0.265 302 G HA3 -0.288 nan 3.960 nan 0.000 0.265 302 G C -1.069 173.946 174.900 0.192 0.000 0.979 302 G CA 0.546 45.723 45.100 0.128 0.000 0.663 302 G HN 0.330 8.565 8.290 0.111 0.122 0.533 303 R N -3.199 117.391 120.500 0.151 0.000 2.410 303 R HA 0.077 nan 4.340 nan 0.000 0.288 303 R C -0.661 175.716 176.300 0.128 0.000 1.051 303 R CA -1.221 54.965 56.100 0.143 0.000 1.021 303 R CB 0.640 30.978 30.300 0.064 0.000 1.032 303 R HN -0.438 7.843 8.270 0.110 0.055 0.481 304 R N 3.056 123.611 120.500 0.092 0.000 2.698 304 R HA -0.108 nan 4.340 nan 0.000 0.266 304 R C -0.418 175.751 176.300 -0.219 0.000 1.026 304 R CA 0.893 56.837 56.100 -0.260 0.000 1.102 304 R CB 0.394 30.539 30.300 -0.259 0.000 0.978 304 R HN 0.407 8.774 8.270 0.161 0.000 0.436 305 R N 5.804 126.117 120.500 -0.311 0.000 2.407 305 R HA 0.205 nan 4.340 nan 0.000 0.303 305 R C -0.110 176.088 176.300 -0.169 0.000 0.981 305 R CA -0.845 55.141 56.100 -0.190 0.000 0.905 305 R CB 1.293 31.505 30.300 -0.147 0.000 1.099 305 R HN -0.098 7.867 8.270 -0.508 0.000 0.459 306 R N 3.019 123.447 120.500 -0.120 0.000 2.590 306 R HA 0.021 nan 4.340 nan 0.000 0.274 306 R C -0.634 175.709 176.300 0.072 0.000 1.061 306 R CA 1.109 57.179 56.100 -0.050 0.000 1.081 306 R CB 0.799 31.106 30.300 0.013 0.000 0.984 306 R HN 0.635 8.819 8.270 -0.144 0.000 0.448 307 T N -3.531 111.036 114.554 0.021 0.000 2.906 307 T HA 0.776 nan 4.350 nan 0.000 0.295 307 T C -1.346 173.275 174.700 -0.130 0.000 1.075 307 T CA -2.747 59.396 62.100 0.072 0.000 1.005 307 T CB 4.032 72.868 68.868 -0.054 0.000 1.136 307 T HN -0.079 8.078 8.240 -0.138 0.000 0.498 308 G N 0.186 108.965 108.800 -0.035 0.000 2.494 308 G HA2 0.577 nan 3.960 nan 0.000 0.308 308 G HA3 0.577 nan 3.960 nan 0.000 0.308 308 G C -2.441 172.392 174.900 -0.111 0.000 1.263 308 G CA 0.544 45.451 45.100 -0.322 0.000 0.840 308 G HN 0.332 8.760 8.290 0.230 0.000 0.479 309 W N -2.025 119.350 121.300 0.125 0.000 2.161 309 W HA 0.234 nan 4.660 nan 0.000 0.344 309 W C -0.017 176.713 176.519 0.352 0.000 1.262 309 W CA -0.821 56.667 57.345 0.238 0.000 1.270 309 W CB 1.541 31.152 29.460 0.253 0.000 1.126 309 W HN -0.118 8.061 8.180 -0.002 0.000 0.598 310 L N 1.970 123.626 121.223 0.721 0.000 2.477 310 L HA -0.063 nan 4.340 nan 0.000 0.272 310 L C -1.704 175.424 176.870 0.431 0.000 1.157 310 L CA 0.559 55.696 54.840 0.494 0.000 0.889 310 L CB 0.440 42.739 42.059 0.401 0.000 1.158 310 L HN 0.511 9.264 8.230 0.871 0.000 0.473 311 D N 7.982 128.625 120.400 0.405 0.000 2.456 311 D HA 0.194 nan 4.640 nan 0.000 0.219 311 D C 0.230 176.651 176.300 0.202 0.000 1.126 311 D CA -0.696 53.521 54.000 0.361 0.000 0.890 311 D CB 1.170 42.277 40.800 0.512 0.000 1.025 311 D HN -0.199 8.429 8.370 0.429 0.000 0.511 312 T N 7.103 121.736 114.554 0.131 0.000 2.821 312 T HA -0.188 nan 4.350 nan 0.000 0.267 312 T C 1.714 176.412 174.700 -0.004 0.000 1.046 312 T CA 4.028 66.155 62.100 0.045 0.000 1.139 312 T CB -0.051 68.834 68.868 0.027 0.000 0.871 312 T HN -0.088 8.244 8.240 0.153 0.000 0.454 313 V N 0.709 120.588 119.914 -0.058 0.000 2.332 313 V HA -0.373 nan 4.120 nan 0.000 0.248 313 V C 1.650 177.649 176.094 -0.158 0.000 1.055 313 V CA 3.897 66.069 62.300 -0.214 0.000 1.038 313 V CB -1.250 30.234 31.823 -0.565 0.000 0.651 313 V HN -0.258 8.018 8.190 -0.008 -0.091 0.450 314 A N -1.539 121.265 122.820 -0.026 0.000 1.898 314 A HA -0.243 nan 4.320 nan 0.000 0.216 314 A C 1.989 179.572 177.584 -0.001 0.000 1.181 314 A CA 3.139 55.212 52.037 0.060 0.000 0.620 314 A CB -0.609 18.512 19.000 0.201 0.000 0.819 314 A HN -0.572 7.880 8.150 0.051 -0.271 0.442 315 V N -0.177 119.741 119.914 0.007 0.000 2.332 315 V HA -0.507 nan 4.120 nan 0.000 0.248 315 V C 2.118 178.243 176.094 0.052 0.000 1.055 315 V CA 4.342 66.655 62.300 0.022 0.000 1.038 315 V CB -1.041 30.790 31.823 0.013 0.000 0.651 315 V HN -0.301 7.908 8.190 0.033 0.000 0.450 316 R N -2.232 118.278 120.500 0.017 0.000 2.159 316 R HA -0.364 nan 4.340 nan 0.000 0.237 316 R C 2.114 178.398 176.300 -0.027 0.000 1.131 316 R CA 3.500 59.599 56.100 -0.001 0.000 0.982 316 R CB -0.231 30.046 30.300 -0.038 0.000 0.868 316 R HN 0.359 8.521 8.270 -0.001 0.107 0.453 317 R N -0.699 119.782 120.500 -0.031 0.000 2.073 317 R HA -0.196 nan 4.340 nan 0.000 0.229 317 R C 1.496 177.768 176.300 -0.048 0.000 1.120 317 R CA 1.963 58.042 56.100 -0.036 0.000 0.967 317 R CB -0.850 29.447 30.300 -0.005 0.000 0.862 317 R HN -0.238 7.848 8.270 -0.028 0.167 0.436 318 A N -0.753 122.046 122.820 -0.035 0.000 1.908 318 A HA -0.237 nan 4.320 nan 0.000 0.218 318 A C 2.447 179.997 177.584 -0.058 0.000 1.181 318 A CA 3.152 55.164 52.037 -0.041 0.000 0.627 318 A CB -0.919 18.077 19.000 -0.007 0.000 0.818 318 A HN -0.512 7.543 8.150 -0.023 0.082 0.445 319 V N -0.746 119.142 119.914 -0.044 0.000 2.287 319 V HA -0.536 nan 4.120 nan 0.000 0.248 319 V C 2.317 178.330 176.094 -0.135 0.000 1.053 319 V CA 4.503 66.733 62.300 -0.117 0.000 1.027 319 V CB -1.016 30.747 31.823 -0.100 0.000 0.646 319 V HN 0.098 8.285 8.190 0.005 0.006 0.447 320 Q N -1.434 118.300 119.800 -0.110 0.000 2.096 320 Q HA -0.242 nan 4.340 nan 0.000 0.197 320 Q C 2.133 178.049 176.000 -0.140 0.000 0.964 320 Q CA 2.653 58.386 55.803 -0.117 0.000 0.838 320 Q CB -0.292 28.389 28.738 -0.095 0.000 0.906 320 Q HN -0.642 7.576 8.270 -0.087 0.000 0.444 321 L N -0.708 120.420 121.223 -0.158 0.000 2.017 321 L HA -0.294 nan 4.340 nan 0.000 0.208 321 L C 2.234 178.991 176.870 -0.187 0.000 1.073 321 L CA 2.365 57.069 54.840 -0.226 0.000 0.745 321 L CB 0.078 41.972 42.059 -0.275 0.000 0.894 321 L HN -0.044 8.105 8.230 -0.135 0.000 0.432 322 N N -2.092 116.516 118.700 -0.154 0.000 2.457 322 N HA -0.057 nan 4.740 nan 0.000 0.180 322 N C 0.184 175.594 175.510 -0.167 0.000 1.050 322 N CA 0.735 53.698 53.050 -0.145 0.000 0.906 322 N CB 0.373 38.787 38.487 -0.121 0.000 0.968 322 N HN -0.211 8.085 8.380 -0.140 0.000 0.445 323 S N -2.939 112.657 115.700 -0.173 0.000 3.628 323 S HA -0.500 nan 4.470 nan 0.000 0.373 323 S C -0.184 174.273 174.600 -0.238 0.000 0.968 323 S CA 0.965 59.053 58.200 -0.187 0.000 1.215 323 S CB -2.219 60.883 63.200 -0.164 0.000 0.912 323 S HN -0.282 7.829 8.310 -0.164 0.101 0.495 324 L N -1.477 119.580 121.223 -0.278 0.000 2.506 324 L HA -0.250 nan 4.340 nan 0.000 0.281 324 L C 0.805 177.403 176.870 -0.455 0.000 1.228 324 L CA 1.324 55.935 54.840 -0.382 0.000 0.850 324 L CB 0.417 42.189 42.059 -0.479 0.000 1.110 324 L HN -0.526 7.555 8.230 -0.249 0.000 0.496 325 S N 0.899 116.225 115.700 -0.623 0.000 2.502 325 S HA 0.218 nan 4.470 nan 0.000 0.228 325 S C -0.328 173.871 174.600 -0.668 0.000 1.061 325 S CA 1.056 58.829 58.200 -0.711 0.000 0.935 325 S CB 1.443 63.945 63.200 -1.163 0.000 0.809 325 S HN 0.657 8.555 8.310 -0.685 0.000 0.510 326 G N -1.708 106.668 108.800 -0.707 0.000 2.649 326 G HA2 0.505 nan 3.960 nan 0.000 0.290 326 G HA3 0.505 nan 3.960 nan 0.000 0.290 326 G C -3.213 171.533 174.900 -0.257 0.000 1.426 326 G CA 0.172 45.067 45.100 -0.342 0.000 0.794 326 G HN -0.788 7.034 8.290 -0.781 0.000 0.483 327 F N -1.950 117.995 119.950 -0.008 0.000 2.575 327 F HA 0.971 nan 4.527 nan 0.000 0.330 327 F C -1.685 174.128 175.800 0.021 0.000 1.056 327 F CA -2.910 55.086 58.000 -0.007 0.000 0.964 327 F CB 4.791 43.777 39.000 -0.024 0.000 1.258 327 F HN 0.411 8.778 8.300 0.113 0.000 0.484 328 C N 3.283 122.740 119.300 0.263 0.000 2.455 328 C HA 0.660 nan 4.460 nan 0.000 0.321 328 C C -1.902 173.121 174.990 0.056 0.000 1.102 328 C CA -1.950 57.143 59.018 0.124 0.000 1.413 328 C CB 0.679 28.473 27.740 0.090 0.000 1.952 328 C HN 0.550 8.968 8.230 0.314 0.000 0.428 329 L N 10.944 132.185 121.223 0.031 0.000 2.407 329 L HA 0.473 nan 4.340 nan 0.000 0.282 329 L C -1.314 175.571 176.870 0.024 0.000 1.110 329 L CA -0.229 54.609 54.840 -0.003 0.000 0.863 329 L CB 0.953 43.017 42.059 0.008 0.000 1.207 329 L HN 0.650 8.911 8.230 0.052 0.000 0.454 330 T N 4.568 119.127 114.554 0.008 0.000 2.902 330 T HA 0.300 nan 4.350 nan 0.000 0.280 330 T C -0.651 174.082 174.700 0.055 0.000 0.992 330 T CA -1.376 60.735 62.100 0.018 0.000 1.015 330 T CB 1.453 70.313 68.868 -0.012 0.000 1.044 330 T HN 1.174 9.254 8.240 -0.022 0.147 0.520 331 K N -1.799 118.653 120.400 0.086 0.000 2.975 331 K HA -0.366 nan 4.320 nan 0.000 0.257 331 K C 1.203 177.978 176.600 0.292 0.000 1.005 331 K CA 1.122 57.518 56.287 0.183 0.000 0.738 331 K CB -1.414 31.204 32.500 0.197 0.000 1.236 331 K HN 0.389 8.676 8.250 0.063 0.000 0.483 332 L N -1.209 120.170 121.223 0.260 0.000 2.127 332 L HA -0.370 nan 4.340 nan 0.000 0.211 332 L C 0.648 177.770 176.870 0.421 0.000 1.089 332 L CA 3.434 58.494 54.840 0.368 0.000 0.757 332 L CB -0.105 42.120 42.059 0.276 0.000 0.899 332 L HN -0.538 7.773 8.230 0.182 0.028 0.434 333 D N -1.470 119.123 120.400 0.322 0.000 2.149 333 D HA -0.336 nan 4.640 nan 0.000 0.198 333 D C 2.048 178.549 176.300 0.335 0.000 0.990 333 D CA 2.869 57.079 54.000 0.350 0.000 0.839 333 D CB -0.979 40.014 40.800 0.322 0.000 0.948 333 D HN 0.276 8.782 8.370 0.243 0.011 0.460 334 V N 0.201 120.293 119.914 0.296 0.000 2.688 334 V HA -0.263 nan 4.120 nan 0.000 0.256 334 V C 1.231 177.418 176.094 0.156 0.000 1.084 334 V CA 2.209 64.609 62.300 0.166 0.000 1.103 334 V CB -0.853 31.048 31.823 0.130 0.000 0.688 334 V HN -0.584 7.686 8.190 0.334 0.120 0.480 335 L N -5.013 116.347 121.223 0.227 0.000 2.313 335 L HA -0.045 nan 4.340 nan 0.000 0.214 335 L C 0.271 177.044 176.870 -0.161 0.000 1.119 335 L CA 0.536 55.400 54.840 0.040 0.000 0.809 335 L CB -0.293 41.732 42.059 -0.058 0.000 0.933 335 L HN -0.701 7.581 8.230 0.337 0.150 0.449 336 D N -1.399 119.067 120.400 0.110 0.000 2.525 336 D HA -0.285 nan 4.640 nan 0.000 0.235 336 D C 0.824 177.155 176.300 0.052 0.000 1.137 336 D CA 2.468 56.526 54.000 0.097 0.000 0.868 336 D CB -0.245 40.751 40.800 0.326 0.000 1.180 336 D HN -0.433 7.965 8.370 0.305 0.154 0.465 337 G N 3.402 112.157 108.800 -0.075 0.000 2.424 337 G HA2 -0.460 nan 3.960 nan 0.000 0.207 337 G HA3 -0.460 nan 3.960 nan 0.000 0.207 337 G C -0.329 174.408 174.900 -0.272 0.000 1.061 337 G CA -0.156 44.898 45.100 -0.077 0.000 0.657 337 G HN 0.441 8.641 8.290 -0.148 0.000 0.508 338 L N 1.348 122.337 121.223 -0.389 0.000 2.525 338 L HA -0.160 nan 4.340 nan 0.000 0.278 338 L C 0.374 177.054 176.870 -0.318 0.000 1.218 338 L CA -0.361 54.232 54.840 -0.411 0.000 0.878 338 L CB 0.044 41.893 42.059 -0.349 0.000 1.127 338 L HN -0.805 7.151 8.230 -0.349 0.065 0.492 339 K N 2.850 123.103 120.400 -0.244 0.000 2.057 339 K HA -0.340 nan 4.320 nan 0.000 0.206 339 K C -1.344 175.154 176.600 -0.169 0.000 1.050 339 K CA 2.147 58.331 56.287 -0.170 0.000 0.935 339 K CB 0.362 32.781 32.500 -0.134 0.000 0.715 339 K HN 0.470 8.567 8.250 -0.255 0.000 0.439 340 E N -6.349 113.734 120.200 -0.195 0.000 2.412 340 E HA 0.532 nan 4.350 nan 0.000 0.279 340 E C -2.089 174.342 176.600 -0.281 0.000 0.984 340 E CA -1.349 54.924 56.400 -0.212 0.000 0.788 340 E CB 3.908 33.513 29.700 -0.159 0.000 1.277 340 E HN -0.828 7.417 8.360 -0.191 0.000 0.455 341 V N -5.719 113.953 119.914 -0.404 0.000 3.102 341 V HA 0.626 nan 4.120 nan 0.000 0.312 341 V C -2.363 173.216 176.094 -0.857 0.000 1.135 341 V CA -2.819 59.057 62.300 -0.707 0.000 1.022 341 V CB 3.994 35.437 31.823 -0.634 0.000 1.056 341 V HN 1.155 9.022 8.190 -0.339 0.120 0.436 342 K N -0.585 118.868 120.400 -1.577 0.000 2.477 342 K HA 0.935 nan 4.320 nan 0.000 0.255 342 K C -1.488 174.743 176.600 -0.615 0.000 0.952 342 K CA -1.462 54.240 56.287 -0.974 0.000 0.826 342 K CB 3.104 35.013 32.500 -0.984 0.000 1.331 342 K HN -0.214 6.216 8.250 -3.034 0.000 0.437 343 L N -5.468 115.726 121.223 -0.049 0.000 2.386 343 L HA 0.808 nan 4.340 nan 0.000 0.271 343 L C -0.777 176.261 176.870 0.280 0.000 0.993 343 L CA -2.547 52.417 54.840 0.207 0.000 0.819 343 L CB 2.708 44.881 42.059 0.190 0.000 1.294 343 L HN 0.420 8.630 8.230 -0.033 0.000 0.414 344 C N 3.651 123.135 119.300 0.306 0.000 2.648 344 C HA 0.116 nan 4.460 nan 0.000 0.419 344 C C 1.006 176.031 174.990 0.059 0.000 1.352 344 C CA 0.866 59.926 59.018 0.071 0.000 1.816 344 C CB -0.453 27.343 27.740 0.092 0.000 2.598 344 C HN 0.567 9.024 8.230 0.379 0.000 0.598 345 V N 1.805 121.726 119.914 0.012 0.000 3.604 345 V HA 0.493 nan 4.120 nan 0.000 0.277 345 V C -1.499 174.579 176.094 -0.026 0.000 1.399 345 V CA -0.548 61.754 62.300 0.002 0.000 1.034 345 V CB 1.227 33.057 31.823 0.012 0.000 0.824 345 V HN 0.860 9.037 8.190 -0.022 0.000 0.439 346 A N -0.666 122.149 122.820 -0.009 0.000 2.586 346 A HA 0.661 nan 4.320 nan 0.000 0.290 346 A C -3.077 174.599 177.584 0.154 0.000 1.086 346 A CA 0.275 52.310 52.037 -0.004 0.000 0.665 346 A CB 2.408 21.408 19.000 0.000 0.000 1.279 346 A HN -0.750 7.401 8.150 0.001 0.000 0.423 347 Y N -2.300 117.959 120.300 -0.069 0.000 2.377 347 Y HA 0.725 nan 4.550 nan 0.000 0.339 347 Y C -1.695 174.171 175.900 -0.057 0.000 1.011 347 Y CA -3.137 54.920 58.100 -0.072 0.000 1.093 347 Y CB 3.694 42.097 38.460 -0.095 0.000 1.201 347 Y HN 0.697 9.044 8.280 0.112 0.000 0.455 348 R N 4.512 125.050 120.500 0.063 0.000 2.233 348 R HA 0.439 nan 4.340 nan 0.000 0.334 348 R C -0.884 175.418 176.300 0.002 0.000 1.037 348 R CA -1.978 54.137 56.100 0.025 0.000 0.920 348 R CB 0.336 30.642 30.300 0.009 0.000 1.137 348 R HN 1.180 9.335 8.270 0.007 0.120 0.492 349 M N 6.817 126.426 119.600 0.014 0.000 2.240 349 M HA 0.068 nan 4.480 nan 0.000 0.317 349 M C -0.499 175.799 176.300 -0.002 0.000 1.087 349 M CA -1.898 53.401 55.300 -0.000 0.000 1.176 349 M CB -1.389 31.215 32.600 0.006 0.000 1.439 349 M HN 0.220 8.526 8.290 0.027 0.000 0.452 350 P HA -0.053 nan 4.420 nan 0.000 0.247 350 P C -1.765 175.539 177.300 0.008 0.000 1.225 350 P CA 1.385 64.488 63.100 0.005 0.000 0.768 350 P CB -0.762 30.944 31.700 0.011 0.000 1.020 351 D N -4.422 115.982 120.400 0.007 0.000 2.501 351 D HA -0.029 nan 4.640 nan 0.000 0.224 351 D C 0.984 177.289 176.300 0.007 0.000 1.202 351 D CA -1.122 52.882 54.000 0.008 0.000 0.829 351 D CB -0.815 39.990 40.800 0.008 0.000 1.023 351 D HN -0.606 7.678 8.370 0.006 0.090 0.499 352 G N 0.805 109.610 108.800 0.007 0.000 2.179 352 G HA2 -0.506 nan 3.960 nan 0.000 0.260 352 G HA3 -0.506 nan 3.960 nan 0.000 0.260 352 G C -0.882 174.023 174.900 0.008 0.000 0.977 352 G CA 0.080 45.185 45.100 0.008 0.000 0.641 352 G HN -0.000 8.232 8.290 0.007 0.062 0.533 353 R N 2.306 122.811 120.500 0.008 0.000 2.248 353 R HA 0.081 nan 4.340 nan 0.000 0.328 353 R C -1.341 174.966 176.300 0.012 0.000 1.067 353 R CA -0.911 55.193 56.100 0.007 0.000 0.924 353 R CB 0.780 31.083 30.300 0.004 0.000 1.013 353 R HN -0.444 7.993 8.270 0.007 -0.163 0.454 354 E N 6.688 126.895 120.200 0.011 0.000 2.217 354 E HA 0.142 nan 4.350 nan 0.000 0.279 354 E C -1.717 174.889 176.600 0.010 0.000 1.068 354 E CA 0.228 56.639 56.400 0.017 0.000 0.882 354 E CB 0.753 30.460 29.700 0.012 0.000 1.039 354 E HN 0.281 8.646 8.360 0.008 0.000 0.418 355 V N 7.372 127.298 119.914 0.020 0.000 2.823 355 V HA 0.403 nan 4.120 nan 0.000 0.312 355 V C -0.966 175.095 176.094 -0.055 0.000 1.072 355 V CA -1.523 60.769 62.300 -0.012 0.000 0.937 355 V CB 4.084 35.900 31.823 -0.012 0.000 1.013 355 V HN 0.839 9.061 8.190 0.053 0.000 0.430 356 T N 2.515 117.013 114.554 -0.094 0.000 3.214 356 T HA 0.212 nan 4.350 nan 0.000 0.264 356 T C -1.340 173.235 174.700 -0.208 0.000 1.012 356 T CA -0.262 61.745 62.100 -0.155 0.000 0.901 356 T CB 0.148 68.954 68.868 -0.103 0.000 1.070 356 T HN 0.292 8.488 8.240 -0.073 0.000 0.561 357 T N 2.942 117.371 114.554 -0.208 0.000 2.887 357 T HA 0.281 nan 4.350 nan 0.000 0.288 357 T C -0.330 174.203 174.700 -0.279 0.000 1.021 357 T CA -0.411 61.567 62.100 -0.203 0.000 1.000 357 T CB 2.593 71.391 68.868 -0.116 0.000 1.034 357 T HN -0.479 7.596 8.240 -0.171 0.062 0.467 358 T N 1.058 115.447 114.554 -0.275 0.000 2.904 358 T HA 0.473 nan 4.350 nan 0.000 0.290 358 T C -1.150 173.394 174.700 -0.260 0.000 1.018 358 T CA -3.175 58.724 62.100 -0.335 0.000 1.075 358 T CB 0.092 68.869 68.868 -0.152 0.000 0.986 358 T HN 0.118 8.238 8.240 -0.201 0.000 0.523 359 P HA 0.196 nan 4.420 nan 0.000 0.276 359 P C -0.469 176.857 177.300 0.044 0.000 1.252 359 P CA -1.250 61.666 63.100 -0.305 0.000 0.802 359 P CB 0.931 32.269 31.700 -0.603 0.000 1.035 360 L N -0.832 120.508 121.223 0.196 0.000 2.129 360 L HA -0.039 nan 4.340 nan 0.000 0.200 360 L C 0.594 177.760 176.870 0.494 0.000 1.159 360 L CA 1.108 56.146 54.840 0.329 0.000 0.795 360 L CB -0.156 42.010 42.059 0.178 0.000 0.951 360 L HN 0.137 8.445 8.230 0.129 0.000 0.463 361 A N -2.320 120.709 122.820 0.349 0.000 2.511 361 A HA -0.077 nan 4.320 nan 0.000 0.242 361 A C 0.772 178.639 177.584 0.472 0.000 1.069 361 A CA -0.298 51.954 52.037 0.359 0.000 0.763 361 A CB 0.156 19.301 19.000 0.241 0.000 1.001 361 A HN -0.326 7.972 8.150 0.245 0.000 0.498 362 A N 5.573 128.622 122.820 0.383 0.000 1.894 362 A HA -0.490 nan 4.320 nan 0.000 0.220 362 A C 2.115 179.928 177.584 0.380 0.000 1.237 362 A CA 3.501 55.718 52.037 0.301 0.000 0.660 362 A CB -0.601 18.631 19.000 0.386 0.000 0.835 362 A HN 0.998 9.254 8.150 0.361 0.111 0.461 363 D N -2.180 118.413 120.400 0.321 0.000 2.239 363 D HA -0.280 nan 4.640 nan 0.000 0.202 363 D C 2.294 178.747 176.300 0.255 0.000 0.993 363 D CA 2.877 57.029 54.000 0.253 0.000 0.874 363 D CB -0.468 40.452 40.800 0.199 0.000 0.922 363 D HN 0.298 8.856 8.370 0.313 0.000 0.464 364 D N -1.339 119.252 120.400 0.319 0.000 2.349 364 D HA -0.069 nan 4.640 nan 0.000 0.224 364 D C 0.899 177.321 176.300 0.203 0.000 1.029 364 D CA 1.740 55.872 54.000 0.221 0.000 0.879 364 D CB 0.198 41.089 40.800 0.152 0.000 0.906 364 D HN 0.286 8.742 8.370 0.396 0.152 0.528 365 W N -1.698 119.659 121.300 0.096 0.000 3.211 365 W HA 0.176 nan 4.660 nan 0.000 0.292 365 W C 0.647 177.182 176.519 0.025 0.000 1.268 365 W CA -0.067 57.320 57.345 0.069 0.000 1.702 365 W CB -0.199 29.323 29.460 0.104 0.000 1.092 365 W HN 0.423 8.847 8.180 0.691 0.170 0.643 366 K N 0.936 121.490 120.400 0.256 0.000 2.030 366 K HA -0.407 nan 4.320 nan 0.000 0.222 366 K C 1.261 177.916 176.600 0.092 0.000 1.056 366 K CA 3.258 59.634 56.287 0.148 0.000 0.957 366 K CB -0.470 32.101 32.500 0.118 0.000 0.727 366 K HN -0.673 7.695 8.250 0.276 0.048 0.452 367 G N -4.005 104.832 108.800 0.062 0.000 3.337 367 G HA2 0.093 nan 3.960 nan 0.000 0.246 367 G HA3 0.093 nan 3.960 nan 0.000 0.246 367 G C -0.818 174.081 174.900 -0.002 0.000 1.131 367 G CA -0.644 44.473 45.100 0.029 0.000 0.773 367 G HN -0.048 8.281 8.290 0.065 0.000 0.544 368 V N 1.224 121.125 119.914 -0.022 0.000 2.521 368 V HA -0.124 nan 4.120 nan 0.000 0.286 368 V C -0.186 175.811 176.094 -0.162 0.000 1.034 368 V CA 1.188 63.407 62.300 -0.136 0.000 1.045 368 V CB 0.031 31.691 31.823 -0.272 0.000 0.974 368 V HN -0.366 7.656 8.190 0.025 0.183 0.480 369 E N 7.726 127.834 120.200 -0.154 0.000 2.212 369 E HA 0.590 nan 4.350 nan 0.000 0.268 369 E C -2.289 174.215 176.600 -0.159 0.000 0.902 369 E CA -3.322 53.014 56.400 -0.106 0.000 0.779 369 E CB 2.548 32.231 29.700 -0.029 0.000 1.172 369 E HN 0.048 8.332 8.360 -0.127 0.000 0.409 370 P HA 0.604 nan 4.420 nan 0.000 0.292 370 P C -1.231 175.877 177.300 -0.319 0.000 1.283 370 P CA -1.037 61.921 63.100 -0.237 0.000 0.835 370 P CB 1.113 32.572 31.700 -0.401 0.000 1.017 371 I N 3.092 123.531 120.570 -0.219 0.000 2.330 371 I HA 0.150 nan 4.170 nan 0.000 0.286 371 I C -0.916 175.102 176.117 -0.164 0.000 1.025 371 I CA -0.805 60.422 61.300 -0.122 0.000 1.197 371 I CB 0.663 38.652 38.000 -0.017 0.000 1.358 371 I HN 0.572 8.725 8.210 -0.096 0.000 0.467 372 Y N 7.063 127.396 120.300 0.056 0.000 2.289 372 Y HA 0.051 nan 4.550 nan 0.000 0.332 372 Y C -0.321 175.572 175.900 -0.012 0.000 1.324 372 Y CA -0.301 57.809 58.100 0.016 0.000 1.478 372 Y CB 1.072 39.513 38.460 -0.031 0.000 1.378 372 Y HN 0.175 8.535 8.280 0.133 0.000 0.558 373 E N -1.383 118.917 120.200 0.167 0.000 2.283 373 E HA 0.315 nan 4.350 nan 0.000 0.258 373 E C -1.709 174.890 176.600 -0.001 0.000 0.893 373 E CA -0.721 55.718 56.400 0.065 0.000 0.798 373 E CB 2.402 32.135 29.700 0.055 0.000 1.242 373 E HN 0.227 8.711 8.360 0.206 0.000 0.414 374 T N 8.141 122.670 114.554 -0.041 0.000 2.882 374 T HA 0.586 nan 4.350 nan 0.000 0.287 374 T C -0.839 173.807 174.700 -0.090 0.000 0.992 374 T CA 0.150 62.173 62.100 -0.129 0.000 1.076 374 T CB 0.724 69.519 68.868 -0.122 0.000 0.961 374 T HN 0.197 8.431 8.240 -0.011 0.000 0.490 375 M N 3.480 123.002 119.600 -0.130 0.000 2.619 375 M HA 0.520 nan 4.480 nan 0.000 0.297 375 M C -2.638 173.609 176.300 -0.089 0.000 1.229 375 M CA -2.591 52.674 55.300 -0.059 0.000 0.860 375 M CB 3.897 36.510 32.600 0.022 0.000 1.741 375 M HN 1.212 9.238 8.290 -0.231 0.126 0.462 376 P HA 0.112 nan 4.420 nan 0.000 0.276 376 P C -0.583 176.694 177.300 -0.037 0.000 1.230 376 P CA -0.538 62.544 63.100 -0.029 0.000 0.776 376 P CB 0.283 31.996 31.700 0.023 0.000 0.888 377 G N 0.129 108.846 108.800 -0.138 0.000 2.580 377 G HA2 0.246 nan 3.960 nan 0.000 0.225 377 G HA3 0.246 nan 3.960 nan 0.000 0.225 377 G C -1.790 173.093 174.900 -0.030 0.000 1.521 377 G CA -0.890 44.020 45.100 -0.316 0.000 1.068 377 G HN 0.392 8.498 8.290 -0.133 0.104 0.564 378 W N -5.818 115.458 121.300 -0.039 0.000 3.827 378 W HA 0.382 nan 4.660 nan 0.000 0.307 378 W C -1.032 175.490 176.519 0.005 0.000 1.204 378 W CA -1.078 56.260 57.345 -0.011 0.000 1.250 378 W CB 0.287 29.747 29.460 0.002 0.000 1.281 378 W HN -0.359 7.433 8.180 -0.647 0.000 0.494 379 S N 2.639 118.451 115.700 0.186 0.000 2.421 379 S HA -0.174 nan 4.470 nan 0.000 0.224 379 S C 0.039 174.758 174.600 0.199 0.000 1.035 379 S CA 0.767 59.041 58.200 0.124 0.000 0.953 379 S CB -0.205 63.034 63.200 0.064 0.000 0.810 379 S HN 0.130 8.547 8.310 0.179 0.000 0.497 380 E N 1.994 122.327 120.200 0.223 0.000 2.534 380 E HA -0.129 nan 4.350 nan 0.000 0.264 380 E C -1.251 175.500 176.600 0.252 0.000 0.981 380 E CA 0.472 56.982 56.400 0.183 0.000 0.948 380 E CB 0.457 30.235 29.700 0.129 0.000 0.934 380 E HN -0.263 8.229 8.360 0.221 0.000 0.459 381 S N 0.252 116.063 115.700 0.186 0.000 2.586 381 S HA 0.179 nan 4.470 nan 0.000 0.274 381 S C 0.062 174.773 174.600 0.186 0.000 1.281 381 S CA -0.186 58.145 58.200 0.217 0.000 1.035 381 S CB 0.810 64.115 63.200 0.175 0.000 0.962 381 S HN -0.197 8.197 8.310 0.140 0.000 0.512 382 T N 0.989 115.680 114.554 0.228 0.000 3.004 382 T HA 0.246 nan 4.350 nan 0.000 0.266 382 T C -0.098 174.703 174.700 0.168 0.000 0.986 382 T CA -1.001 61.184 62.100 0.142 0.000 0.902 382 T CB 0.906 69.821 68.868 0.078 0.000 1.118 382 T HN 1.161 10.143 8.240 0.307 -0.559 0.522 383 F N 4.197 124.207 119.950 0.100 0.000 2.623 383 F HA -0.559 nan 4.527 nan 0.000 0.386 383 F C 0.865 176.700 175.800 0.058 0.000 1.068 383 F CA 2.254 60.303 58.000 0.082 0.000 1.265 383 F CB 0.266 39.312 39.000 0.077 0.000 1.026 383 F HN -0.779 7.861 8.300 0.395 -0.102 0.568 384 G N 6.257 114.691 108.800 -0.610 0.000 2.205 384 G HA2 -0.370 nan 3.960 nan 0.000 0.269 384 G HA3 -0.370 nan 3.960 nan 0.000 0.269 384 G C -0.596 174.234 174.900 -0.115 0.000 0.977 384 G CA 0.396 45.283 45.100 -0.356 0.000 0.652 384 G HN 0.928 8.539 8.290 -0.936 0.118 0.539 385 V N 1.432 121.308 119.914 -0.063 0.000 2.585 385 V HA -0.197 nan 4.120 nan 0.000 0.296 385 V C 0.323 176.392 176.094 -0.043 0.000 1.035 385 V CA 1.265 63.548 62.300 -0.027 0.000 1.084 385 V CB 0.012 31.827 31.823 -0.014 0.000 0.953 385 V HN -0.192 7.897 8.190 -0.060 0.065 0.483 386 K N 3.934 124.317 120.400 -0.029 0.000 2.758 386 K HA 0.239 nan 4.320 nan 0.000 0.208 386 K C -1.644 174.945 176.600 -0.018 0.000 1.091 386 K CA -1.351 54.920 56.287 -0.027 0.000 1.059 386 K CB 0.110 32.596 32.500 -0.023 0.000 0.801 386 K HN 0.329 8.569 8.250 -0.018 0.000 0.470 387 D N -1.692 118.696 120.400 -0.019 0.000 2.812 387 D HA 0.057 nan 4.640 nan 0.000 0.210 387 D C -0.075 176.211 176.300 -0.022 0.000 1.260 387 D CA -0.275 53.715 54.000 -0.016 0.000 0.817 387 D CB 2.918 43.712 40.800 -0.010 0.000 1.694 387 D HN -0.580 7.717 8.370 -0.023 0.059 0.530 388 R N 3.692 124.178 120.500 -0.022 0.000 2.133 388 R HA -0.414 nan 4.340 nan 0.000 0.245 388 R C 2.076 178.355 176.300 -0.036 0.000 1.137 388 R CA 3.649 59.730 56.100 -0.030 0.000 0.947 388 R CB -0.025 30.261 30.300 -0.023 0.000 0.865 388 R HN 0.572 8.832 8.270 -0.016 0.000 0.437 389 S N 0.470 116.156 115.700 -0.025 0.000 2.389 389 S HA -0.322 nan 4.470 nan 0.000 0.231 389 S C 2.111 176.695 174.600 -0.027 0.000 1.052 389 S CA 2.204 60.391 58.200 -0.022 0.000 1.053 389 S CB -0.548 62.645 63.200 -0.012 0.000 0.886 389 S HN -0.032 8.267 8.310 -0.018 0.000 0.456 390 G N -0.419 108.365 108.800 -0.026 0.000 2.708 390 G HA2 -0.162 nan 3.960 nan 0.000 0.210 390 G HA3 -0.162 nan 3.960 nan 0.000 0.210 390 G C -0.738 174.131 174.900 -0.051 0.000 1.141 390 G CA 0.135 45.220 45.100 -0.024 0.000 0.788 390 G HN -0.495 7.763 8.290 -0.024 0.018 0.531 391 L N 2.178 123.354 121.223 -0.079 0.000 2.276 391 L HA 0.234 nan 4.340 nan 0.000 0.286 391 L C -1.485 175.288 176.870 -0.161 0.000 1.061 391 L CA -2.442 52.308 54.840 -0.150 0.000 0.807 391 L CB 0.393 42.352 42.059 -0.166 0.000 1.177 391 L HN 0.227 8.219 8.230 -0.067 0.197 0.429 392 P HA -0.018 nan 4.420 nan 0.000 0.269 392 P C -0.182 177.024 177.300 -0.155 0.000 1.215 392 P CA -0.940 62.072 63.100 -0.146 0.000 0.780 392 P CB 1.258 32.879 31.700 -0.132 0.000 0.898 393 Q N 3.249 123.013 119.800 -0.061 0.000 2.152 393 Q HA -0.362 nan 4.340 nan 0.000 0.206 393 Q C 1.641 177.632 176.000 -0.014 0.000 0.985 393 Q CA 3.314 59.098 55.803 -0.031 0.000 0.863 393 Q CB -0.529 28.213 28.738 0.007 0.000 0.904 393 Q HN 0.667 8.919 8.270 -0.030 0.000 0.422 394 A N -2.280 120.559 122.820 0.033 0.000 1.883 394 A HA -0.316 nan 4.320 nan 0.000 0.217 394 A C 1.578 179.186 177.584 0.039 0.000 1.186 394 A CA 2.761 54.909 52.037 0.185 0.000 0.624 394 A CB -1.186 18.104 19.000 0.482 0.000 0.822 394 A HN 0.264 8.426 8.150 0.042 0.013 0.444 395 A N -1.025 121.459 122.820 -0.560 0.000 1.851 395 A HA -0.304 nan 4.320 nan 0.000 0.216 395 A C 2.130 179.569 177.584 -0.242 0.000 1.195 395 A CA 2.894 54.367 52.037 -0.940 0.000 0.622 395 A CB -0.978 17.301 19.000 -1.202 0.000 0.831 395 A HN -0.579 7.222 8.150 -0.580 0.000 0.444 396 L N -3.095 118.025 121.223 -0.171 0.000 2.127 396 L HA -0.553 nan 4.340 nan 0.000 0.211 396 L C 2.345 179.224 176.870 0.015 0.000 1.089 396 L CA 3.150 57.955 54.840 -0.058 0.000 0.757 396 L CB -0.777 41.249 42.059 -0.055 0.000 0.899 396 L HN -0.432 7.664 8.230 -0.224 0.000 0.434 397 N N 0.228 118.956 118.700 0.048 0.000 2.080 397 N HA -0.379 nan 4.740 nan 0.000 0.189 397 N C 1.979 177.587 175.510 0.163 0.000 1.036 397 N CA 3.322 56.428 53.050 0.094 0.000 0.846 397 N CB -0.112 38.439 38.487 0.107 0.000 1.015 397 N HN -0.117 8.268 8.380 0.022 0.008 0.423 398 Y N 1.778 122.130 120.300 0.087 0.000 2.114 398 Y HA -0.437 nan 4.550 nan 0.000 0.282 398 Y C 1.591 177.540 175.900 0.082 0.000 1.165 398 Y CA 3.458 61.636 58.100 0.131 0.000 1.148 398 Y CB -0.085 38.548 38.460 0.288 0.000 0.972 398 Y HN -0.185 8.300 8.280 0.342 0.000 0.504 399 I N -1.301 119.335 120.570 0.109 0.000 2.099 399 I HA -0.721 nan 4.170 nan 0.000 0.239 399 I C 1.638 177.733 176.117 -0.036 0.000 1.066 399 I CA 4.278 65.564 61.300 -0.024 0.000 1.324 399 I CB -0.234 37.776 38.000 0.016 0.000 1.037 399 I HN 0.281 8.622 8.210 0.210 -0.005 0.401 400 K N -0.639 119.764 120.400 0.005 0.000 2.103 400 K HA -0.370 nan 4.320 nan 0.000 0.207 400 K C 1.849 178.447 176.600 -0.003 0.000 1.048 400 K CA 2.555 58.846 56.287 0.006 0.000 0.930 400 K CB -0.587 31.923 32.500 0.017 0.000 0.716 400 K HN -0.042 8.223 8.250 0.025 0.000 0.444 401 R N -0.551 119.948 120.500 -0.002 0.000 2.080 401 R HA -0.272 nan 4.340 nan 0.000 0.236 401 R C 2.294 178.565 176.300 -0.049 0.000 1.137 401 R CA 2.659 58.753 56.100 -0.009 0.000 0.943 401 R CB -0.969 29.342 30.300 0.019 0.000 0.846 401 R HN 0.088 8.263 8.270 0.022 0.108 0.431 402 I N -1.037 119.455 120.570 -0.131 0.000 2.118 402 I HA -0.636 nan 4.170 nan 0.000 0.241 402 I C 2.343 178.440 176.117 -0.035 0.000 1.070 402 I CA 4.206 65.417 61.300 -0.149 0.000 1.327 402 I CB -0.645 37.190 38.000 -0.275 0.000 1.034 402 I HN 0.286 8.386 8.210 -0.184 0.000 0.405 403 E N -0.256 119.943 120.200 -0.002 0.000 2.038 403 E HA -0.442 nan 4.350 nan 0.000 0.195 403 E C 2.200 178.820 176.600 0.034 0.000 1.000 403 E CA 3.668 60.101 56.400 0.055 0.000 0.803 403 E CB -0.391 29.336 29.700 0.046 0.000 0.750 403 E HN -0.203 8.140 8.360 -0.029 0.000 0.448 404 E N 0.149 120.357 120.200 0.013 0.000 2.035 404 E HA -0.360 nan 4.350 nan 0.000 0.204 404 E C 2.543 179.148 176.600 0.008 0.000 1.025 404 E CA 2.966 59.371 56.400 0.008 0.000 0.835 404 E CB -0.142 29.561 29.700 0.006 0.000 0.764 404 E HN 0.278 8.519 8.360 0.006 0.123 0.457 405 L N -4.130 117.096 121.223 0.005 0.000 2.261 405 L HA -0.249 nan 4.340 nan 0.000 0.216 405 L C 1.266 178.145 176.870 0.015 0.000 1.114 405 L CA 2.321 57.163 54.840 0.003 0.000 0.777 405 L CB 0.197 42.254 42.059 -0.003 0.000 0.910 405 L HN 0.308 8.537 8.230 -0.001 0.000 0.440 406 T N -8.077 106.502 114.554 0.043 0.000 3.018 406 T HA 0.209 nan 4.350 nan 0.000 0.246 406 T C 1.476 176.197 174.700 0.034 0.000 1.026 406 T CA 0.396 62.542 62.100 0.076 0.000 1.081 406 T CB 1.438 70.443 68.868 0.228 0.000 0.970 406 T HN -0.230 7.872 8.240 0.046 0.166 0.475 407 G N 2.309 111.124 108.800 0.025 0.000 2.141 407 G HA2 -0.346 nan 3.960 nan 0.000 0.242 407 G HA3 -0.346 nan 3.960 nan 0.000 0.242 407 G C -1.121 173.749 174.900 -0.049 0.000 0.982 407 G CA 0.291 45.382 45.100 -0.015 0.000 0.662 407 G HN 0.499 8.688 8.290 0.041 0.125 0.527 408 V N 0.991 120.885 119.914 -0.035 0.000 2.540 408 V HA 0.345 nan 4.120 nan 0.000 0.302 408 V C -2.391 173.699 176.094 -0.006 0.000 1.035 408 V CA -3.036 59.173 62.300 -0.152 0.000 0.873 408 V CB 2.244 33.750 31.823 -0.527 0.000 0.992 408 V HN -0.617 7.570 8.190 0.058 0.038 0.428 409 P HA 0.183 nan 4.420 nan 0.000 0.279 409 P C -1.337 176.033 177.300 0.118 0.000 1.239 409 P CA -1.289 61.840 63.100 0.048 0.000 0.789 409 P CB 1.260 32.972 31.700 0.021 0.000 0.933 410 I N 2.652 123.307 120.570 0.142 0.000 2.379 410 I HA -0.221 nan 4.170 nan 0.000 0.290 410 I C -0.295 175.889 176.117 0.111 0.000 1.063 410 I CA 0.683 62.081 61.300 0.164 0.000 1.351 410 I CB 0.122 38.182 38.000 0.100 0.000 1.410 410 I HN 0.304 8.963 8.210 0.103 -0.387 0.505 411 D N 7.868 128.345 120.400 0.127 0.000 2.355 411 D HA 0.231 nan 4.640 nan 0.000 0.206 411 D C -1.179 175.154 176.300 0.055 0.000 1.010 411 D CA 1.638 55.693 54.000 0.091 0.000 0.875 411 D CB 1.733 42.608 40.800 0.125 0.000 0.966 411 D HN 0.976 9.323 8.370 0.168 0.124 0.512 412 I N -2.393 118.214 120.570 0.062 0.000 2.656 412 I HA 0.442 nan 4.170 nan 0.000 0.292 412 I C -2.327 173.811 176.117 0.036 0.000 1.144 412 I CA -0.525 60.796 61.300 0.035 0.000 1.038 412 I CB 4.309 42.326 38.000 0.027 0.000 1.244 412 I HN -0.821 7.442 8.210 0.089 0.000 0.420 413 I N 4.415 124.997 120.570 0.020 0.000 2.433 413 I HA 0.538 nan 4.170 nan 0.000 0.292 413 I C -1.757 174.365 176.117 0.007 0.000 1.001 413 I CA -1.622 59.690 61.300 0.020 0.000 1.119 413 I CB 2.509 40.518 38.000 0.016 0.000 1.289 413 I HN 0.367 8.584 8.210 0.011 0.000 0.438 414 S N 4.497 120.204 115.700 0.012 0.000 2.489 414 S HA 0.655 nan 4.470 nan 0.000 0.291 414 S C -0.324 174.272 174.600 -0.006 0.000 1.151 414 S CA -1.670 56.526 58.200 -0.006 0.000 1.082 414 S CB 1.624 64.823 63.200 -0.000 0.000 1.019 414 S HN 0.799 9.017 8.310 0.027 0.108 0.492 415 T N 1.364 115.879 114.554 -0.064 0.000 3.460 415 T HA 0.521 nan 4.350 nan 0.000 0.304 415 T C -1.622 172.887 174.700 -0.318 0.000 0.991 415 T CA -1.608 60.431 62.100 -0.103 0.000 0.975 415 T CB 0.695 69.505 68.868 -0.098 0.000 1.196 415 T HN 0.448 8.633 8.240 -0.091 0.000 0.490 416 G N 0.251 108.891 108.800 -0.266 0.000 2.404 416 G HA2 0.319 nan 3.960 nan 0.000 0.298 416 G HA3 0.319 nan 3.960 nan 0.000 0.298 416 G C -2.751 172.078 174.900 -0.117 0.000 1.577 416 G CA 0.186 45.044 45.100 -0.404 0.000 0.847 416 G HN -0.847 7.361 8.290 -0.135 0.000 0.598 417 P HA -0.137 nan 4.420 nan 0.000 0.217 417 P C -0.774 176.535 177.300 0.015 0.000 1.151 417 P CA 1.163 64.287 63.100 0.039 0.000 0.828 417 P CB 0.586 32.342 31.700 0.094 0.000 0.788 418 D N -0.332 120.074 120.400 0.009 0.000 2.488 418 D HA -0.199 nan 4.640 nan 0.000 0.238 418 D C 1.581 177.874 176.300 -0.012 0.000 1.138 418 D CA 0.994 54.999 54.000 0.007 0.000 0.873 418 D CB 1.495 42.304 40.800 0.015 0.000 1.183 418 D HN -0.377 8.264 8.370 0.007 -0.267 0.458 419 R N 6.377 126.878 120.500 0.001 0.000 2.154 419 R HA -0.417 nan 4.340 nan 0.000 0.248 419 R C 1.857 178.152 176.300 -0.009 0.000 1.155 419 R CA 3.332 59.432 56.100 -0.001 0.000 0.979 419 R CB 0.036 30.342 30.300 0.009 0.000 0.869 419 R HN 0.438 8.715 8.270 0.011 0.000 0.452 420 T N -5.824 108.723 114.554 -0.012 0.000 3.067 420 T HA 0.120 nan 4.350 nan 0.000 0.257 420 T C 1.051 175.726 174.700 -0.041 0.000 1.105 420 T CA 1.044 63.133 62.100 -0.017 0.000 1.104 420 T CB -0.335 68.528 68.868 -0.008 0.000 0.925 420 T HN -0.515 7.944 8.240 -0.008 -0.224 0.498 421 E N 3.446 123.604 120.200 -0.070 0.000 2.053 421 E HA -0.022 nan 4.350 nan 0.000 0.297 421 E C -1.621 174.918 176.600 -0.101 0.000 1.173 421 E CA 0.221 56.544 56.400 -0.127 0.000 1.219 421 E CB -1.660 27.891 29.700 -0.249 0.000 1.103 421 E HN -0.184 8.019 8.360 -0.064 0.119 0.476 422 T N 1.191 115.708 114.554 -0.062 0.000 2.792 422 T HA 0.638 nan 4.350 nan 0.000 0.303 422 T C -1.346 173.338 174.700 -0.027 0.000 1.310 422 T CA -0.805 61.271 62.100 -0.041 0.000 1.007 422 T CB 3.176 72.029 68.868 -0.026 0.000 1.335 422 T HN 0.264 8.426 8.240 -0.052 0.047 0.504 423 M N 2.546 122.135 119.600 -0.018 0.000 2.151 423 M HA 0.345 nan 4.480 nan 0.000 0.290 423 M C -1.560 174.737 176.300 -0.004 0.000 0.965 423 M CA -0.570 54.723 55.300 -0.011 0.000 0.930 423 M CB 3.805 36.398 32.600 -0.012 0.000 1.560 423 M HN 0.415 8.696 8.290 -0.015 0.000 0.438 424 I N 4.212 124.780 120.570 -0.003 0.000 2.287 424 I HA 0.071 nan 4.170 nan 0.000 0.290 424 I C -0.260 175.856 176.117 -0.002 0.000 1.069 424 I CA 0.081 61.379 61.300 -0.003 0.000 1.237 424 I CB -0.376 37.621 38.000 -0.005 0.000 1.418 424 I HN 0.450 8.658 8.210 -0.003 0.000 0.481 425 L N 7.869 129.094 121.223 0.003 0.000 2.313 425 L HA -0.070 nan 4.340 nan 0.000 0.214 425 L C 0.031 176.903 176.870 0.003 0.000 1.119 425 L CA 1.488 56.332 54.840 0.006 0.000 0.809 425 L CB 0.683 42.751 42.059 0.015 0.000 0.933 425 L HN 0.830 9.065 8.230 0.008 0.000 0.449 426 R N -2.421 118.075 120.500 -0.007 0.000 2.522 426 R HA 0.143 nan 4.340 nan 0.000 0.273 426 R C -2.188 174.063 176.300 -0.082 0.000 1.133 426 R CA -0.564 55.519 56.100 -0.027 0.000 0.969 426 R CB 2.936 33.233 30.300 -0.004 0.000 1.235 426 R HN -0.633 7.618 8.270 -0.006 0.015 0.433 427 D N 7.413 127.758 120.400 -0.091 0.000 2.316 427 D HA 0.320 nan 4.640 nan 0.000 0.245 427 D C -0.622 175.505 176.300 -0.289 0.000 1.171 427 D CA -2.958 50.963 54.000 -0.131 0.000 0.856 427 D CB 1.473 42.260 40.800 -0.023 0.000 1.090 427 D HN 0.334 8.670 8.370 -0.056 0.000 0.476 428 P HA -0.324 nan 4.420 nan 0.000 0.220 428 P C 1.139 178.034 177.300 -0.675 0.000 1.155 428 P CA 2.219 64.670 63.100 -1.082 0.000 0.880 428 P CB 0.199 31.232 31.700 -1.113 0.000 0.790 429 F N -4.258 115.439 119.950 -0.422 0.000 2.113 429 F HA -0.269 nan 4.527 nan 0.000 0.297 429 F C 1.571 177.185 175.800 -0.310 0.000 1.103 429 F CA 2.416 60.127 58.000 -0.482 0.000 1.248 429 F CB -0.193 38.446 39.000 -0.601 0.000 0.999 429 F HN 0.307 8.779 8.300 -0.294 -0.349 0.475 430 D N -2.611 117.805 120.400 0.027 0.000 3.060 430 D HA -0.013 nan 4.640 nan 0.000 0.245 430 D C -1.262 175.036 176.300 -0.003 0.000 1.274 430 D CA -1.026 52.999 54.000 0.042 0.000 0.864 430 D CB -1.966 38.876 40.800 0.070 0.000 1.073 430 D HN -0.432 7.949 8.370 0.019 0.000 0.473 431 A N 0.000 122.797 122.820 -0.038 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 431 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 431 A HN 0.000 8.113 8.150 -0.059 0.001 0.486