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 2z8k_1_A DATA FIRST_RESID 38 DATA SEQUENCE EDVFHPVRAK QGMVASVDAT ATQVGVDILK EGGNAVDAAV AVGYALAVTH DATA SEQUENCE PQAGNLGGGG FMLIRSKNGN TTAIDFREMA PAKATRDMFL DDQGNPDSKK DATA SEQUENCE SLTSHLASGT PGTVAGFSLA LDKYGTMPLN KVVQPAFKLA RDGFIVNDAL DATA SEQUENCE ADDLKTYGSE VLPNHENSKA IFWKEGEPLK KGDTLVQANL AKSLEMIAEN DATA SEQUENCE GPDEFYKGTI AEQIAQEMQK NGGLITKEDL AAYKAVERTP ISGDYRGYQV DATA SEQUENCE YSMPPPSSGG IHIVQILNIL ENFDMKKYGF GSADAMQIMA EAEKYAYADR DATA SEQUENCE SEYLGDPDFV KVPWQALTNK AYAKSIADQI DINKAKPSSE IRPGKLAPYE 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 38 E HA 0.000 nan 4.350 nan 0.000 0.291 38 E C 0.000 176.593 176.600 -0.012 0.000 1.382 38 E CA 0.000 56.411 56.400 0.018 0.000 0.976 38 E CB 0.000 29.713 29.700 0.021 0.000 0.812 39 D N 0.688 121.078 120.400 -0.015 0.000 2.210 39 D HA 0.222 4.866 4.640 0.006 0.000 0.249 39 D C 0.962 177.061 176.300 -0.335 0.000 1.062 39 D CA -0.127 53.783 54.000 -0.150 0.000 0.891 39 D CB 2.156 42.847 40.800 -0.182 0.000 1.186 39 D HN -0.025 nan 8.370 nan 0.000 0.432 40 V N 0.983 120.665 119.914 -0.385 0.000 2.725 40 V HA 0.038 4.162 4.120 0.006 0.000 0.247 40 V C 0.218 175.764 176.094 -0.913 0.000 1.058 40 V CA 0.827 62.766 62.300 -0.601 0.000 1.080 40 V CB -0.186 31.232 31.823 -0.676 0.000 0.713 40 V HN 0.350 nan 8.190 nan 0.000 0.465 41 F N 0.170 119.888 119.950 -0.387 0.000 2.467 41 F HA 0.587 5.118 4.527 0.006 0.000 0.336 41 F C 0.139 175.688 175.800 -0.418 0.000 1.123 41 F CA -0.896 56.913 58.000 -0.319 0.000 0.964 41 F CB 0.954 39.852 39.000 -0.170 0.000 1.136 41 F HN 0.038 nan 8.300 nan 0.000 0.447 42 H N 2.598 121.750 119.070 0.137 0.000 2.466 42 H HA 0.428 4.988 4.556 0.006 0.000 0.338 42 H C -2.106 173.263 175.328 0.069 0.000 1.091 42 H CA -1.815 54.278 56.048 0.074 0.000 1.207 42 H CB 1.427 31.209 29.762 0.034 0.000 1.466 42 H HN 0.409 nan 8.280 nan 0.000 0.493 43 P HA 0.126 nan 4.420 nan 0.000 0.274 43 P C -0.218 177.134 177.300 0.086 0.000 1.237 43 P CA -0.647 62.512 63.100 0.097 0.000 0.793 43 P CB 0.893 32.635 31.700 0.070 0.000 0.977 44 V N 2.194 122.142 119.914 0.057 0.000 2.686 44 V HA 0.245 4.369 4.120 0.006 0.000 0.295 44 V C 0.717 176.831 176.094 0.032 0.000 1.055 44 V CA -0.124 62.200 62.300 0.041 0.000 1.050 44 V CB 0.450 32.291 31.823 0.029 0.000 0.984 44 V HN 0.466 nan 8.190 nan 0.000 0.482 45 R N 2.357 122.871 120.500 0.024 0.000 2.740 45 R HA 0.864 5.208 4.340 0.006 0.000 0.282 45 R C -0.817 175.490 176.300 0.012 0.000 0.969 45 R CA -0.551 55.561 56.100 0.019 0.000 0.918 45 R CB 2.193 32.504 30.300 0.017 0.000 1.175 45 R HN 0.820 nan 8.270 nan 0.000 0.464 46 A N 1.329 124.156 122.820 0.012 0.000 2.594 46 A HA 0.382 4.706 4.320 0.006 0.000 0.295 46 A C -0.480 177.109 177.584 0.008 0.000 1.071 46 A CA -0.773 51.268 52.037 0.008 0.000 0.685 46 A CB 1.762 20.766 19.000 0.007 0.000 1.285 46 A HN 0.775 nan 8.150 nan 0.000 0.405 47 K N -0.127 120.277 120.400 0.006 0.000 2.348 47 K HA 0.087 4.410 4.320 0.006 0.000 0.194 47 K C 1.245 177.848 176.600 0.005 0.000 1.052 47 K CA 0.750 57.041 56.287 0.006 0.000 1.004 47 K CB 0.526 33.029 32.500 0.005 0.000 0.873 47 K HN 0.744 nan 8.250 nan 0.000 0.523 48 Q N -0.243 119.559 119.800 0.004 0.000 2.619 48 Q HA 0.176 4.520 4.340 0.006 0.000 0.195 48 Q C 0.761 176.763 176.000 0.003 0.000 0.910 48 Q CA 0.161 55.967 55.803 0.003 0.000 0.862 48 Q CB 0.564 29.304 28.738 0.002 0.000 1.123 48 Q HN 0.136 nan 8.270 nan 0.000 0.636 49 G N 0.379 109.180 108.800 0.002 0.000 2.569 49 G HA2 0.703 4.667 3.960 0.006 0.000 0.300 49 G HA3 0.703 4.667 3.960 0.006 0.000 0.300 49 G C -1.566 173.334 174.900 0.001 0.000 1.269 49 G CA -0.447 44.654 45.100 0.001 0.000 0.959 49 G HN 0.082 nan 8.290 nan 0.000 0.478 50 M N 0.784 120.384 119.600 0.001 0.000 2.465 50 M HA 0.622 5.105 4.480 0.006 0.000 0.284 50 M C -1.938 174.361 176.300 -0.002 0.000 1.212 50 M CA -0.641 54.660 55.300 0.001 0.000 0.910 50 M CB 2.428 35.031 32.600 0.005 0.000 1.725 50 M HN 0.382 nan 8.290 nan 0.000 0.477 51 V N 2.615 122.527 119.914 -0.004 0.000 2.709 51 V HA 0.922 5.045 4.120 0.006 0.000 0.308 51 V C -0.883 175.206 176.094 -0.009 0.000 1.062 51 V CA -0.666 61.629 62.300 -0.008 0.000 0.901 51 V CB 1.835 33.650 31.823 -0.013 0.000 1.003 51 V HN 0.914 nan 8.190 nan 0.000 0.425 52 A N 3.297 126.111 122.820 -0.009 0.000 2.335 52 A HA 0.948 5.272 4.320 0.006 0.000 0.304 52 A C -0.248 177.324 177.584 -0.020 0.000 1.118 52 A CA -0.095 51.934 52.037 -0.012 0.000 0.757 52 A CB 1.585 20.580 19.000 -0.007 0.000 1.188 52 A HN 1.271 nan 8.150 nan 0.000 0.460 53 S N 0.870 116.549 115.700 -0.034 0.000 2.638 53 S HA 0.451 4.925 4.470 0.006 0.000 0.274 53 S C 0.221 174.771 174.600 -0.083 0.000 1.157 53 S CA 0.128 58.295 58.200 -0.054 0.000 0.826 53 S CB 1.173 64.339 63.200 -0.057 0.000 1.139 53 S HN 1.438 nan 8.310 nan 0.000 0.474 54 V N 0.615 120.446 119.914 -0.139 0.000 3.305 54 V HA 0.173 4.297 4.120 0.006 0.000 0.269 54 V C -0.029 175.943 176.094 -0.204 0.000 1.157 54 V CA 1.943 64.127 62.300 -0.193 0.000 1.157 54 V CB -1.092 30.530 31.823 -0.335 0.000 0.772 54 V HN 0.888 nan 8.190 nan 0.000 0.498 55 D N -1.869 118.430 120.400 -0.169 0.000 2.757 55 D HA 0.581 5.225 4.640 0.006 0.000 0.249 55 D C 0.801 177.053 176.300 -0.079 0.000 1.168 55 D CA 0.323 54.248 54.000 -0.124 0.000 0.870 55 D CB 2.020 42.732 40.800 -0.146 0.000 1.411 55 D HN 0.040 nan 8.370 nan 0.000 0.525 56 A N 2.538 125.326 122.820 -0.052 0.000 1.892 56 A HA -0.179 4.145 4.320 0.006 0.000 0.218 56 A C 1.968 179.526 177.584 -0.044 0.000 1.188 56 A CA 2.161 54.176 52.037 -0.036 0.000 0.631 56 A CB -0.931 18.059 19.000 -0.016 0.000 0.822 56 A HN 0.658 nan 8.150 nan 0.000 0.447 57 T N 0.231 114.747 114.554 -0.063 0.000 2.684 57 T HA -0.058 4.296 4.350 0.006 0.000 0.267 57 T C 2.221 176.879 174.700 -0.070 0.000 1.036 57 T CA 1.816 63.872 62.100 -0.074 0.000 1.148 57 T CB -0.519 68.268 68.868 -0.135 0.000 0.863 57 T HN 0.632 nan 8.240 nan 0.000 0.436 58 A N 1.077 123.847 122.820 -0.082 0.000 1.902 58 A HA -0.128 4.195 4.320 0.006 0.000 0.217 58 A C 2.564 180.122 177.584 -0.043 0.000 1.181 58 A CA 2.097 54.098 52.037 -0.060 0.000 0.623 58 A CB -1.248 17.715 19.000 -0.062 0.000 0.818 58 A HN 0.467 nan 8.150 nan 0.000 0.443 59 T N 0.172 114.700 114.554 -0.044 0.000 2.746 59 T HA -0.180 4.173 4.350 0.006 0.000 0.267 59 T C 2.038 176.724 174.700 -0.024 0.000 1.039 59 T CA 1.815 63.896 62.100 -0.032 0.000 1.142 59 T CB -0.277 68.573 68.868 -0.030 0.000 0.866 59 T HN 0.656 nan 8.240 nan 0.000 0.444 60 Q N 0.175 119.961 119.800 -0.023 0.000 2.167 60 Q HA -0.035 4.309 4.340 0.006 0.000 0.202 60 Q C 2.499 178.490 176.000 -0.015 0.000 0.970 60 Q CA 0.885 56.678 55.803 -0.016 0.000 0.855 60 Q CB -0.294 28.436 28.738 -0.014 0.000 0.911 60 Q HN 0.337 nan 8.270 nan 0.000 0.438 61 V N 0.553 120.456 119.914 -0.019 0.000 2.343 61 V HA -0.203 3.921 4.120 0.006 0.000 0.247 61 V C 2.225 178.310 176.094 -0.015 0.000 1.051 61 V CA 2.048 64.340 62.300 -0.014 0.000 1.036 61 V CB -1.064 30.752 31.823 -0.013 0.000 0.654 61 V HN 0.534 nan 8.190 nan 0.000 0.451 62 G N -0.392 108.396 108.800 -0.020 0.000 2.421 62 G HA2 -0.202 3.762 3.960 0.006 0.000 0.216 62 G HA3 -0.202 3.762 3.960 0.006 0.000 0.216 62 G C 1.685 176.576 174.900 -0.016 0.000 1.171 62 G CA 1.199 46.286 45.100 -0.022 0.000 0.775 62 G HN 0.372 nan 8.290 nan 0.000 0.543 63 V N 1.448 121.354 119.914 -0.013 0.000 2.343 63 V HA -0.162 3.962 4.120 0.006 0.000 0.247 63 V C 2.564 178.654 176.094 -0.008 0.000 1.051 63 V CA 2.171 64.466 62.300 -0.009 0.000 1.036 63 V CB -0.410 31.409 31.823 -0.007 0.000 0.654 63 V HN 0.280 nan 8.190 nan 0.000 0.451 64 D N -0.080 120.316 120.400 -0.007 0.000 2.144 64 D HA -0.128 4.516 4.640 0.006 0.000 0.199 64 D C 1.988 178.284 176.300 -0.006 0.000 0.984 64 D CA 1.257 55.254 54.000 -0.005 0.000 0.834 64 D CB -0.194 40.604 40.800 -0.003 0.000 0.955 64 D HN 0.413 nan 8.370 nan 0.000 0.465 65 I N 0.578 121.142 120.570 -0.010 0.000 2.226 65 I HA -0.220 3.954 4.170 0.006 0.000 0.245 65 I C 2.465 178.576 176.117 -0.010 0.000 1.100 65 I CA 0.689 61.981 61.300 -0.012 0.000 1.374 65 I CB -0.150 37.838 38.000 -0.019 0.000 1.057 65 I HN -0.034 nan 8.210 nan 0.000 0.413 66 L N 0.101 121.318 121.223 -0.010 0.000 2.046 66 L HA -0.233 4.110 4.340 0.006 0.000 0.208 66 L C 2.500 179.367 176.870 -0.005 0.000 1.077 66 L CA 1.530 56.366 54.840 -0.007 0.000 0.747 66 L CB -0.652 41.403 42.059 -0.007 0.000 0.896 66 L HN 0.187 nan 8.230 nan 0.000 0.432 67 K N 0.136 120.533 120.400 -0.004 0.000 2.147 67 K HA -0.180 4.144 4.320 0.006 0.000 0.205 67 K C 1.774 178.373 176.600 -0.002 0.000 1.049 67 K CA 1.275 57.560 56.287 -0.003 0.000 0.936 67 K CB -0.071 32.428 32.500 -0.002 0.000 0.722 67 K HN 0.408 nan 8.250 nan 0.000 0.446 68 E N -0.750 119.447 120.200 -0.004 0.000 2.482 68 E HA -0.031 4.323 4.350 0.006 0.000 0.196 68 E C 0.911 177.508 176.600 -0.004 0.000 1.047 68 E CA 0.456 56.854 56.400 -0.003 0.000 0.869 68 E CB 0.335 30.032 29.700 -0.005 0.000 0.836 68 E HN 0.517 nan 8.360 nan 0.000 0.520 69 G N 0.773 109.571 108.800 -0.004 0.000 2.192 69 G HA2 -0.192 3.772 3.960 0.006 0.000 0.193 69 G HA3 -0.192 3.772 3.960 0.006 0.000 0.193 69 G C 0.486 175.384 174.900 -0.003 0.000 0.999 69 G CA -0.420 44.679 45.100 -0.003 0.000 0.659 69 G HN 0.463 nan 8.290 nan 0.000 0.503 70 G N 0.438 109.235 108.800 -0.005 0.000 2.569 70 G HA2 0.521 4.485 3.960 0.006 0.000 0.249 70 G HA3 0.521 4.485 3.960 0.006 0.000 0.249 70 G C 0.420 175.318 174.900 -0.003 0.000 1.216 70 G CA 0.485 45.582 45.100 -0.006 0.000 0.845 70 G HN 0.914 nan 8.290 nan 0.000 0.568 71 N N -0.285 118.416 118.700 0.001 0.000 2.418 71 N HA 0.430 5.174 4.740 0.006 0.000 0.283 71 N C 1.463 176.972 175.510 -0.001 0.000 1.267 71 N CA 0.042 53.095 53.050 0.004 0.000 0.975 71 N CB 0.452 38.948 38.487 0.015 0.000 1.167 71 N HN 0.443 nan 8.380 nan 0.000 0.581 72 A N -0.300 122.520 122.820 -0.000 0.000 1.908 72 A HA -0.103 4.221 4.320 0.006 0.000 0.218 72 A C 2.126 179.704 177.584 -0.010 0.000 1.181 72 A CA 1.945 53.977 52.037 -0.007 0.000 0.627 72 A CB -1.176 17.819 19.000 -0.009 0.000 0.818 72 A HN 0.431 nan 8.150 nan 0.000 0.445 73 V N 0.531 120.447 119.914 0.004 0.000 2.358 73 V HA -0.223 3.900 4.120 0.006 0.000 0.246 73 V C 2.177 178.259 176.094 -0.019 0.000 1.047 73 V CA 2.170 64.475 62.300 0.008 0.000 1.035 73 V CB -0.776 31.085 31.823 0.063 0.000 0.658 73 V HN 0.519 nan 8.190 nan 0.000 0.452 74 D N 0.679 121.072 120.400 -0.011 0.000 2.104 74 D HA -0.170 4.474 4.640 0.006 0.000 0.194 74 D C 2.243 178.513 176.300 -0.050 0.000 0.994 74 D CA 1.826 55.810 54.000 -0.027 0.000 0.830 74 D CB -0.306 40.484 40.800 -0.016 0.000 0.959 74 D HN 0.450 nan 8.370 nan 0.000 0.452 75 A N 1.208 124.004 122.820 -0.040 0.000 1.902 75 A HA -0.045 4.279 4.320 0.006 0.000 0.217 75 A C 2.354 179.895 177.584 -0.073 0.000 1.181 75 A CA 2.281 54.291 52.037 -0.045 0.000 0.623 75 A CB -0.714 18.268 19.000 -0.029 0.000 0.818 75 A HN 0.243 nan 8.150 nan 0.000 0.443 76 A N -0.553 122.218 122.820 -0.080 0.000 1.908 76 A HA -0.035 4.288 4.320 0.006 0.000 0.218 76 A C 2.225 179.644 177.584 -0.275 0.000 1.181 76 A CA 1.910 53.878 52.037 -0.116 0.000 0.627 76 A CB -0.917 18.042 19.000 -0.068 0.000 0.818 76 A HN 0.412 nan 8.150 nan 0.000 0.445 77 V N -0.300 119.423 119.914 -0.318 0.000 2.427 77 V HA -0.196 3.928 4.120 0.006 0.000 0.248 77 V C 3.028 178.951 176.094 -0.285 0.000 1.051 77 V CA 1.762 63.730 62.300 -0.553 0.000 1.048 77 V CB -1.180 30.469 31.823 -0.291 0.000 0.666 77 V HN 0.616 nan 8.190 nan 0.000 0.456 78 A N -0.151 122.592 122.820 -0.127 0.000 1.902 78 A HA -0.157 4.167 4.320 0.006 0.000 0.217 78 A C 2.391 179.963 177.584 -0.020 0.000 1.181 78 A CA 2.059 54.075 52.037 -0.036 0.000 0.623 78 A CB -0.651 18.326 19.000 -0.038 0.000 0.818 78 A HN 0.334 nan 8.150 nan 0.000 0.443 79 V N -0.134 119.738 119.914 -0.071 0.000 2.358 79 V HA -0.162 3.962 4.120 0.006 0.000 0.246 79 V C 2.804 178.877 176.094 -0.034 0.000 1.047 79 V CA 1.885 64.157 62.300 -0.046 0.000 1.035 79 V CB -1.371 30.422 31.823 -0.049 0.000 0.658 79 V HN 0.616 nan 8.190 nan 0.000 0.452 80 G N -1.641 107.073 108.800 -0.144 0.000 2.418 80 G HA2 -0.280 3.684 3.960 0.006 0.000 0.217 80 G HA3 -0.280 3.684 3.960 0.006 0.000 0.217 80 G C 1.499 176.435 174.900 0.059 0.000 1.158 80 G CA 0.884 45.948 45.100 -0.059 0.000 0.771 80 G HN 0.525 nan 8.290 nan 0.000 0.545 81 Y N 1.039 121.337 120.300 -0.003 0.000 2.263 81 Y HA 0.120 4.673 4.550 0.006 0.000 0.292 81 Y C 3.107 179.048 175.900 0.067 0.000 1.130 81 Y CA 0.841 58.991 58.100 0.083 0.000 1.179 81 Y CB -0.028 38.456 38.460 0.040 0.000 0.998 81 Y HN 0.268 nan 8.280 nan 0.000 0.532 82 A N -0.034 122.885 122.820 0.165 0.000 1.898 82 A HA -0.154 4.170 4.320 0.006 0.000 0.216 82 A C 2.136 179.753 177.584 0.055 0.000 1.181 82 A CA 1.422 53.510 52.037 0.085 0.000 0.620 82 A CB -1.049 17.967 19.000 0.025 0.000 0.819 82 A HN 0.470 nan 8.150 nan 0.000 0.442 83 L N -0.673 120.587 121.223 0.061 0.000 2.191 83 L HA -0.179 4.164 4.340 0.006 0.000 0.212 83 L C 2.899 179.843 176.870 0.123 0.000 1.103 83 L CA 0.800 55.689 54.840 0.082 0.000 0.769 83 L CB -0.426 41.689 42.059 0.093 0.000 0.908 83 L HN 0.444 nan 8.230 nan 0.000 0.438 84 A N -0.849 122.042 122.820 0.118 0.000 2.125 84 A HA -0.058 4.266 4.320 0.006 0.000 0.219 84 A C 2.133 179.812 177.584 0.158 0.000 1.156 84 A CA 1.371 53.479 52.037 0.118 0.000 0.671 84 A CB -0.265 18.788 19.000 0.088 0.000 0.794 84 A HN 0.256 nan 8.150 nan 0.000 0.459 85 V N -1.111 118.895 119.914 0.154 0.000 2.806 85 V HA -0.064 4.060 4.120 0.006 0.000 0.239 85 V C 2.592 178.796 176.094 0.184 0.000 1.113 85 V CA 1.831 64.250 62.300 0.198 0.000 1.137 85 V CB -0.355 31.572 31.823 0.173 0.000 0.865 85 V HN 0.695 nan 8.190 nan 0.000 0.482 86 T N -2.678 111.833 114.554 -0.072 0.000 3.081 86 T HA -0.020 4.333 4.350 0.006 0.000 0.255 86 T C 0.862 175.581 174.700 0.031 0.000 1.113 86 T CA 0.907 62.774 62.100 -0.388 0.000 1.082 86 T CB -0.238 68.264 68.868 -0.609 0.000 0.939 86 T HN 0.482 nan 8.240 nan 0.000 0.506 87 H N 1.712 120.789 119.070 0.012 0.000 2.439 87 H HA 0.367 4.927 4.556 0.006 0.000 0.230 87 H C -2.125 173.239 175.328 0.060 0.000 1.420 87 H CA -2.154 53.918 56.048 0.041 0.000 1.305 87 H CB 1.127 30.894 29.762 0.007 0.000 1.667 87 H HN -0.002 nan 8.280 nan 0.000 0.515 88 P HA -0.188 nan 4.420 nan 0.000 0.226 88 P C 0.900 178.075 177.300 -0.209 0.000 1.146 88 P CA 0.911 63.990 63.100 -0.034 0.000 0.773 88 P CB 0.586 32.317 31.700 0.052 0.000 0.772 89 Q N -0.059 119.508 119.800 -0.389 0.000 2.124 89 Q HA -0.043 4.301 4.340 0.006 0.000 0.202 89 Q C 2.082 177.898 176.000 -0.306 0.000 0.977 89 Q CA 2.416 57.977 55.803 -0.404 0.000 0.850 89 Q CB -0.508 27.896 28.738 -0.556 0.000 0.901 89 Q HN 0.350 nan 8.270 nan 0.000 0.429 90 A N -0.959 121.691 122.820 -0.284 0.000 1.996 90 A HA 0.394 4.718 4.320 0.006 0.000 0.185 90 A C 1.097 178.709 177.584 0.047 0.000 1.803 90 A CA 0.193 52.195 52.037 -0.057 0.000 1.335 90 A CB -0.403 18.625 19.000 0.046 0.000 1.486 90 A HN 0.278 nan 8.150 nan 0.000 0.408 91 G N 1.096 109.978 108.800 0.137 0.000 2.414 91 G HA2 0.405 4.369 3.960 0.006 0.000 0.236 91 G HA3 0.405 4.369 3.960 0.006 0.000 0.236 91 G C -0.309 174.629 174.900 0.063 0.000 1.293 91 G CA 0.690 45.874 45.100 0.141 0.000 0.869 91 G HN 1.117 nan 8.290 nan 0.000 0.556 92 N N -0.627 118.093 118.700 0.034 0.000 3.185 92 N HA 0.299 5.042 4.740 0.006 0.000 0.238 92 N C -0.167 175.290 175.510 -0.088 0.000 1.451 92 N CA -0.930 52.114 53.050 -0.010 0.000 0.888 92 N CB 0.863 39.331 38.487 -0.032 0.000 1.413 92 N HN 0.230 nan 8.380 nan 0.000 0.511 93 L N -1.283 119.897 121.223 -0.073 0.000 2.803 93 L HA 0.451 4.795 4.340 0.006 0.000 0.246 93 L C 1.393 178.189 176.870 -0.124 0.000 1.100 93 L CA 0.391 55.132 54.840 -0.165 0.000 0.919 93 L CB 0.543 42.599 42.059 -0.005 0.000 1.285 93 L HN 0.909 nan 8.230 nan 0.000 0.522 94 G N -0.034 108.762 108.800 -0.006 0.000 3.371 94 G HA2 0.406 4.369 3.960 0.006 0.000 0.248 94 G HA3 0.406 4.369 3.960 0.006 0.000 0.248 94 G C 0.433 175.317 174.900 -0.027 0.000 1.161 94 G CA 0.518 45.645 45.100 0.046 0.000 0.796 94 G HN 0.340 nan 8.290 nan 0.000 0.539 95 G N -0.970 107.780 108.800 -0.085 0.000 3.264 95 G HA2 0.725 4.688 3.960 0.006 0.000 0.168 95 G HA3 0.725 4.688 3.960 0.006 0.000 0.168 95 G C -0.188 174.637 174.900 -0.126 0.000 1.145 95 G CA -0.141 44.904 45.100 -0.091 0.000 0.855 95 G HN 0.705 nan 8.290 nan 0.000 0.629 96 G N -2.912 105.813 108.800 -0.125 0.000 2.606 96 G HA2 0.749 4.713 3.960 0.006 0.000 0.300 96 G HA3 0.749 4.713 3.960 0.006 0.000 0.300 96 G C -0.530 174.169 174.900 -0.335 0.000 1.360 96 G CA 0.366 45.371 45.100 -0.159 0.000 0.783 96 G HN 1.840 nan 8.290 nan 0.000 0.484 97 G N -1.941 106.296 108.800 -0.938 0.000 2.348 97 G HA2 0.600 4.564 3.960 0.006 0.000 0.296 97 G HA3 0.600 4.564 3.960 0.006 0.000 0.296 97 G C -2.109 171.456 174.900 -2.225 0.000 1.258 97 G CA -0.629 43.727 45.100 -1.241 0.000 0.868 97 G HN 0.799 nan 8.290 nan 0.000 0.488 98 F N -0.237 119.126 119.950 -0.978 0.000 2.599 98 F HA 0.830 5.361 4.527 0.006 0.000 0.311 98 F C 0.181 175.942 175.800 -0.065 0.000 1.076 98 F CA -0.734 56.944 58.000 -0.537 0.000 0.937 98 F CB 2.727 41.578 39.000 -0.249 0.000 1.282 98 F HN 0.503 nan 8.300 nan 0.000 0.460 99 M N 3.523 123.336 119.600 0.356 0.000 2.327 99 M HA 0.613 5.097 4.480 0.006 0.000 0.298 99 M C -2.283 174.132 176.300 0.191 0.000 1.065 99 M CA -0.993 54.507 55.300 0.334 0.000 0.916 99 M CB 2.038 34.907 32.600 0.449 0.000 1.630 99 M HN 0.630 nan 8.290 nan 0.000 0.442 100 L N 6.038 127.329 121.223 0.113 0.000 2.313 100 L HA 0.676 5.020 4.340 0.006 0.000 0.283 100 L C -1.763 175.100 176.870 -0.012 0.000 1.013 100 L CA -0.185 54.678 54.840 0.038 0.000 0.816 100 L CB 1.462 43.539 42.059 0.030 0.000 1.236 100 L HN 0.688 nan 8.230 nan 0.000 0.419 101 I N 5.055 125.572 120.570 -0.088 0.000 2.465 101 I HA 0.562 4.736 4.170 0.006 0.000 0.291 101 I C -0.326 175.666 176.117 -0.208 0.000 1.014 101 I CA -0.362 60.839 61.300 -0.166 0.000 1.093 101 I CB 1.783 39.593 38.000 -0.317 0.000 1.267 101 I HN 0.535 nan 8.210 nan 0.000 0.431 102 R N 4.171 124.569 120.500 -0.169 0.000 2.473 102 R HA 0.611 4.955 4.340 0.006 0.000 0.303 102 R C -0.956 175.267 176.300 -0.128 0.000 1.002 102 R CA -0.275 55.720 56.100 -0.176 0.000 0.884 102 R CB 1.304 31.501 30.300 -0.173 0.000 1.173 102 R HN 0.761 nan 8.270 nan 0.000 0.464 103 S N 2.636 118.262 115.700 -0.123 0.000 2.600 103 S HA 0.021 4.495 4.470 0.006 0.000 0.265 103 S C 1.091 175.663 174.600 -0.048 0.000 1.325 103 S CA -0.564 57.597 58.200 -0.066 0.000 1.002 103 S CB 1.159 64.339 63.200 -0.033 0.000 0.921 103 S HN 0.707 nan 8.310 nan 0.000 0.554 104 K N 1.489 121.875 120.400 -0.024 0.000 2.281 104 K HA -0.162 4.161 4.320 0.006 0.000 0.203 104 K C 0.934 177.524 176.600 -0.016 0.000 1.046 104 K CA 1.586 57.863 56.287 -0.017 0.000 0.938 104 K CB -0.462 32.035 32.500 -0.006 0.000 0.737 104 K HN 0.593 nan 8.250 nan 0.000 0.458 105 N N 0.422 119.113 118.700 -0.016 0.000 2.398 105 N HA 0.012 4.756 4.740 0.006 0.000 0.188 105 N C 1.095 176.591 175.510 -0.024 0.000 1.122 105 N CA 0.876 53.919 53.050 -0.012 0.000 0.866 105 N CB 0.600 39.087 38.487 -0.000 0.000 0.970 105 N HN 0.474 nan 8.380 nan 0.000 0.462 106 G N 0.513 109.286 108.800 -0.046 0.000 2.234 106 G HA2 -0.313 3.651 3.960 0.006 0.000 0.235 106 G HA3 -0.313 3.651 3.960 0.006 0.000 0.235 106 G C -0.134 174.700 174.900 -0.111 0.000 0.997 106 G CA 0.050 45.107 45.100 -0.072 0.000 0.623 106 G HN 0.657 nan 8.290 nan 0.000 0.514 107 N N 1.462 120.113 118.700 -0.082 0.000 2.414 107 N HA 0.309 5.053 4.740 0.006 0.000 0.268 107 N C -0.550 174.862 175.510 -0.164 0.000 1.286 107 N CA 0.951 53.949 53.050 -0.087 0.000 0.896 107 N CB 0.197 38.667 38.487 -0.029 0.000 1.093 107 N HN 0.200 nan 8.380 nan 0.000 0.480 108 T N 2.536 116.964 114.554 -0.210 0.000 2.792 108 T HA 0.323 4.676 4.350 0.006 0.000 0.280 108 T C -0.253 174.340 174.700 -0.179 0.000 0.990 108 T CA -0.485 61.445 62.100 -0.284 0.000 0.960 108 T CB 1.808 70.329 68.868 -0.579 0.000 0.939 108 T HN 0.442 nan 8.240 nan 0.000 0.439 109 T N 1.084 115.536 114.554 -0.169 0.000 2.864 109 T HA 0.754 5.108 4.350 0.006 0.000 0.299 109 T C -1.666 173.000 174.700 -0.056 0.000 1.166 109 T CA -0.509 61.535 62.100 -0.094 0.000 1.007 109 T CB 1.393 70.207 68.868 -0.089 0.000 1.219 109 T HN 0.795 nan 8.240 nan 0.000 0.506 110 A N 2.930 125.754 122.820 0.007 0.000 2.365 110 A HA 0.797 5.120 4.320 0.006 0.000 0.318 110 A C -1.106 176.553 177.584 0.126 0.000 1.091 110 A CA -0.668 51.404 52.037 0.059 0.000 0.763 110 A CB 0.859 19.883 19.000 0.039 0.000 1.248 110 A HN 0.659 nan 8.150 nan 0.000 0.442 111 I N 2.487 123.180 120.570 0.205 0.000 2.362 111 I HA 0.260 4.434 4.170 0.006 0.000 0.289 111 I C -0.746 175.568 176.117 0.328 0.000 0.994 111 I CA -0.428 61.037 61.300 0.275 0.000 1.158 111 I CB 1.426 39.631 38.000 0.342 0.000 1.315 111 I HN 0.724 nan 8.210 nan 0.000 0.451 112 D N 7.381 127.933 120.400 0.253 0.000 2.396 112 D HA 0.251 4.895 4.640 0.006 0.000 0.225 112 D C -0.328 176.017 176.300 0.075 0.000 1.121 112 D CA -0.379 53.709 54.000 0.147 0.000 0.853 112 D CB 0.254 41.181 40.800 0.211 0.000 1.043 112 D HN 0.343 nan 8.370 nan 0.000 0.500 113 F N 2.019 121.834 119.950 -0.225 0.000 2.818 113 F HA 0.481 5.011 4.527 0.006 0.000 0.369 113 F C 0.139 175.808 175.800 -0.218 0.000 1.327 113 F CA -1.370 56.564 58.000 -0.110 0.000 1.211 113 F CB -0.106 38.822 39.000 -0.119 0.000 1.036 113 F HN 0.022 nan 8.300 nan 0.000 0.510 114 R N 1.821 122.099 120.500 -0.369 0.000 2.539 114 R HA 0.275 4.618 4.340 0.006 0.000 0.275 114 R C -0.180 176.128 176.300 0.014 0.000 1.077 114 R CA -0.112 55.771 56.100 -0.361 0.000 1.097 114 R CB 0.427 30.528 30.300 -0.332 0.000 1.018 114 R HN 0.429 nan 8.270 nan 0.000 0.483 115 E N 2.697 122.879 120.200 -0.029 0.000 2.418 115 E HA 0.060 4.414 4.350 0.006 0.000 0.261 115 E C -0.315 176.384 176.600 0.166 0.000 1.070 115 E CA 0.654 57.082 56.400 0.046 0.000 0.931 115 E CB 0.479 30.167 29.700 -0.020 0.000 0.954 115 E HN 0.465 nan 8.360 nan 0.000 0.439 116 M N 1.839 121.597 119.600 0.263 0.000 2.268 116 M HA 0.408 4.891 4.480 0.006 0.000 0.344 116 M C -0.318 176.063 176.300 0.135 0.000 1.106 116 M CA -0.795 54.635 55.300 0.217 0.000 1.010 116 M CB 1.831 34.615 32.600 0.306 0.000 1.649 116 M HN 0.581 nan 8.290 nan 0.000 0.443 117 A N 4.459 127.321 122.820 0.070 0.000 2.483 117 A HA 0.463 4.787 4.320 0.006 0.000 0.238 117 A C -2.427 175.199 177.584 0.070 0.000 1.070 117 A CA -0.974 51.095 52.037 0.054 0.000 0.770 117 A CB -0.740 18.265 19.000 0.008 0.000 1.008 117 A HN 0.468 nan 8.150 nan 0.000 0.497 118 P HA 0.163 nan 4.420 nan 0.000 0.268 118 P C 0.837 178.169 177.300 0.054 0.000 1.208 118 P CA 0.644 63.783 63.100 0.064 0.000 0.777 118 P CB 0.626 32.355 31.700 0.048 0.000 0.875 119 A N 2.625 125.482 122.820 0.062 0.000 2.024 119 A HA -0.204 4.120 4.320 0.006 0.000 0.220 119 A C 1.593 179.198 177.584 0.036 0.000 1.164 119 A CA 1.691 53.763 52.037 0.059 0.000 0.643 119 A CB -0.779 18.256 19.000 0.058 0.000 0.806 119 A HN 0.466 nan 8.150 nan 0.000 0.451 120 K N -0.057 120.356 120.400 0.022 0.000 2.444 120 K HA 0.383 4.707 4.320 0.006 0.000 0.193 120 K C 0.595 177.182 176.600 -0.022 0.000 1.024 120 K CA 0.454 56.742 56.287 0.002 0.000 1.077 120 K CB 0.051 32.550 32.500 -0.000 0.000 0.833 120 K HN 0.448 nan 8.250 nan 0.000 0.517 121 A N 1.148 123.953 122.820 -0.024 0.000 2.445 121 A HA 0.309 4.632 4.320 0.006 0.000 0.242 121 A C 0.350 177.891 177.584 -0.072 0.000 1.075 121 A CA 0.059 52.054 52.037 -0.069 0.000 0.777 121 A CB 0.036 19.005 19.000 -0.053 0.000 1.013 121 A HN 0.303 nan 8.150 nan 0.000 0.493 122 T N -1.016 113.464 114.554 -0.123 0.000 2.906 122 T HA 0.487 4.841 4.350 0.006 0.000 0.295 122 T C 0.915 175.548 174.700 -0.112 0.000 1.061 122 T CA -0.661 61.384 62.100 -0.092 0.000 1.000 122 T CB 1.487 70.307 68.868 -0.080 0.000 1.103 122 T HN 0.706 nan 8.240 nan 0.000 0.486 123 R N 0.346 120.811 120.500 -0.059 0.000 2.113 123 R HA -0.161 4.183 4.340 0.006 0.000 0.244 123 R C 0.184 176.456 176.300 -0.046 0.000 1.142 123 R CA 2.216 58.294 56.100 -0.038 0.000 0.953 123 R CB -0.368 29.926 30.300 -0.010 0.000 0.860 123 R HN 0.673 nan 8.270 nan 0.000 0.438 124 D N 0.048 120.413 120.400 -0.057 0.000 2.427 124 D HA 0.006 4.650 4.640 0.006 0.000 0.224 124 D C 1.351 177.590 176.300 -0.102 0.000 1.157 124 D CA 0.109 54.082 54.000 -0.046 0.000 0.828 124 D CB 0.247 41.034 40.800 -0.021 0.000 0.974 124 D HN 0.485 nan 8.370 nan 0.000 0.498 125 M N -1.955 117.501 119.600 -0.240 0.000 2.358 125 M HA -0.051 4.432 4.480 0.006 0.000 0.264 125 M C 0.424 176.490 176.300 -0.390 0.000 1.064 125 M CA 1.420 56.493 55.300 -0.379 0.000 1.093 125 M CB -0.332 31.911 32.600 -0.595 0.000 1.401 125 M HN -0.175 nan 8.290 nan 0.000 0.440 126 F N 1.413 121.366 119.950 0.005 0.000 2.664 126 F HA 0.473 5.003 4.527 0.006 0.000 0.303 126 F C 0.400 176.203 175.800 0.004 0.000 1.092 126 F CA -0.717 57.286 58.000 0.005 0.000 1.305 126 F CB -0.201 38.801 39.000 0.002 0.000 1.054 126 F HN 0.012 nan 8.300 nan 0.000 0.565 127 L N 1.121 122.417 121.223 0.120 0.000 2.350 127 L HA 0.269 4.613 4.340 0.006 0.000 0.275 127 L C 0.199 177.103 176.870 0.058 0.000 1.099 127 L CA -0.926 53.962 54.840 0.080 0.000 0.808 127 L CB 0.577 42.664 42.059 0.046 0.000 1.149 127 L HN 0.072 nan 8.230 nan 0.000 0.442 128 D N 0.091 120.521 120.400 0.050 0.000 2.447 128 D HA 0.008 4.652 4.640 0.006 0.000 0.265 128 D C 0.474 176.789 176.300 0.025 0.000 1.250 128 D CA -0.553 53.469 54.000 0.037 0.000 1.046 128 D CB 0.544 41.364 40.800 0.033 0.000 1.095 128 D HN 0.378 nan 8.370 nan 0.000 0.555 129 D N -0.974 119.438 120.400 0.019 0.000 2.265 129 D HA -0.134 4.509 4.640 0.006 0.000 0.208 129 D C 1.433 177.740 176.300 0.012 0.000 0.977 129 D CA 0.976 54.983 54.000 0.013 0.000 0.871 129 D CB 0.072 40.878 40.800 0.011 0.000 0.925 129 D HN 0.362 nan 8.370 nan 0.000 0.485 130 Q N -0.751 119.058 119.800 0.014 0.000 2.392 130 Q HA 0.175 4.519 4.340 0.006 0.000 0.203 130 Q C 1.474 177.482 176.000 0.014 0.000 0.917 130 Q CA 0.598 56.408 55.803 0.012 0.000 0.939 130 Q CB 0.848 29.593 28.738 0.011 0.000 1.063 130 Q HN 0.350 nan 8.270 nan 0.000 0.516 131 G N 1.391 110.201 108.800 0.017 0.000 2.141 131 G HA2 -0.181 3.782 3.960 0.006 0.000 0.231 131 G HA3 -0.181 3.782 3.960 0.006 0.000 0.231 131 G C -0.101 174.813 174.900 0.024 0.000 0.984 131 G CA -0.259 44.852 45.100 0.019 0.000 0.660 131 G HN 0.244 nan 8.290 nan 0.000 0.525 132 N N 1.321 120.036 118.700 0.026 0.000 2.421 132 N HA 0.471 5.215 4.740 0.006 0.000 0.285 132 N C -2.868 172.667 175.510 0.041 0.000 1.027 132 N CA -1.344 51.723 53.050 0.028 0.000 0.918 132 N CB 1.773 40.272 38.487 0.019 0.000 1.152 132 N HN -0.007 nan 8.380 nan 0.000 0.485 133 P HA -0.040 nan 4.420 nan 0.000 0.264 133 P C -0.521 176.807 177.300 0.046 0.000 1.183 133 P CA 0.368 63.507 63.100 0.064 0.000 0.763 133 P CB 0.512 32.239 31.700 0.045 0.000 0.807 134 D N 1.559 121.999 120.400 0.067 0.000 2.460 134 D HA 0.083 4.726 4.640 0.006 0.000 0.232 134 D C 0.962 177.265 176.300 0.005 0.000 1.079 134 D CA -0.306 53.720 54.000 0.044 0.000 0.864 134 D CB 0.613 41.455 40.800 0.070 0.000 1.048 134 D HN 0.185 nan 8.370 nan 0.000 0.523 135 S N 3.854 119.537 115.700 -0.028 0.000 2.442 135 S HA -0.207 4.267 4.470 0.006 0.000 0.236 135 S C 1.738 176.296 174.600 -0.069 0.000 1.007 135 S CA 0.560 58.716 58.200 -0.074 0.000 0.965 135 S CB -0.058 63.108 63.200 -0.057 0.000 0.773 135 S HN 0.445 nan 8.310 nan 0.000 0.504 136 K N 2.181 122.567 120.400 -0.024 0.000 2.057 136 K HA -0.086 4.238 4.320 0.006 0.000 0.207 136 K C 1.728 178.331 176.600 0.005 0.000 1.049 136 K CA 1.545 57.828 56.287 -0.006 0.000 0.931 136 K CB -0.402 32.107 32.500 0.016 0.000 0.714 136 K HN 0.515 nan 8.250 nan 0.000 0.440 137 K N 0.728 121.151 120.400 0.037 0.000 2.097 137 K HA -0.061 4.262 4.320 0.006 0.000 0.206 137 K C 2.060 178.676 176.600 0.027 0.000 1.049 137 K CA 1.720 58.082 56.287 0.126 0.000 0.933 137 K CB -0.118 32.553 32.500 0.286 0.000 0.717 137 K HN 0.313 nan 8.250 nan 0.000 0.442 138 S N -0.098 115.408 115.700 -0.322 0.000 2.575 138 S HA 0.146 4.620 4.470 0.006 0.000 0.215 138 S C 1.560 175.957 174.600 -0.338 0.000 0.966 138 S CA 0.074 57.834 58.200 -0.733 0.000 0.911 138 S CB 0.062 62.508 63.200 -1.256 0.000 0.780 138 S HN 0.160 nan 8.310 nan 0.000 0.514 139 L N 0.596 121.711 121.223 -0.180 0.000 2.730 139 L HA 0.229 4.573 4.340 0.006 0.000 0.236 139 L C 2.072 178.902 176.870 -0.067 0.000 1.061 139 L CA 0.916 55.686 54.840 -0.117 0.000 0.898 139 L CB 0.298 42.298 42.059 -0.097 0.000 1.270 139 L HN 0.491 nan 8.230 nan 0.000 0.500 140 T N -4.247 110.286 114.554 -0.035 0.000 3.004 140 T HA 0.152 4.506 4.350 0.006 0.000 0.266 140 T C 0.793 175.508 174.700 0.026 0.000 0.986 140 T CA 0.209 62.308 62.100 -0.001 0.000 0.902 140 T CB 0.188 69.070 68.868 0.024 0.000 1.118 140 T HN 0.149 nan 8.240 nan 0.000 0.522 141 S N 0.496 116.222 115.700 0.043 0.000 2.707 141 S HA 0.367 4.841 4.470 0.006 0.000 0.276 141 S C 0.654 175.296 174.600 0.069 0.000 1.179 141 S CA -0.374 57.891 58.200 0.109 0.000 0.992 141 S CB 0.666 63.953 63.200 0.144 0.000 1.030 141 S HN 0.260 nan 8.310 nan 0.000 0.554 142 H N 0.170 119.265 119.070 0.040 0.000 2.545 142 H HA 0.217 4.777 4.556 0.006 0.000 0.282 142 H C 1.228 176.587 175.328 0.052 0.000 1.020 142 H CA 1.135 57.194 56.048 0.020 0.000 1.243 142 H CB -0.437 29.331 29.762 0.009 0.000 1.377 142 H HN 0.425 nan 8.280 nan 0.000 0.581 143 L N -0.593 120.751 121.223 0.201 0.000 2.478 143 L HA 0.056 4.400 4.340 0.006 0.000 0.223 143 L C 2.239 179.289 176.870 0.299 0.000 1.140 143 L CA 0.472 55.444 54.840 0.219 0.000 0.842 143 L CB -0.145 42.060 42.059 0.243 0.000 0.953 143 L HN 0.287 nan 8.230 nan 0.000 0.452 144 A N -0.856 122.072 122.820 0.180 0.000 2.167 144 A HA 0.031 4.355 4.320 0.006 0.000 0.214 144 A C 1.217 178.835 177.584 0.058 0.000 1.151 144 A CA 0.329 52.415 52.037 0.083 0.000 0.735 144 A CB -0.150 18.827 19.000 -0.038 0.000 0.802 144 A HN 0.297 nan 8.150 nan 0.000 0.467 145 S N -0.128 115.606 115.700 0.057 0.000 2.525 145 S HA 0.540 5.014 4.470 0.006 0.000 0.278 145 S C 0.428 175.061 174.600 0.055 0.000 1.234 145 S CA -0.185 58.032 58.200 0.028 0.000 1.058 145 S CB 1.512 64.710 63.200 -0.003 0.000 0.983 145 S HN 0.551 nan 8.310 nan 0.000 0.495 146 G N 0.939 109.761 108.800 0.036 0.000 2.471 146 G HA2 0.500 4.464 3.960 0.006 0.000 0.332 146 G HA3 0.500 4.464 3.960 0.006 0.000 0.332 146 G C -0.559 174.361 174.900 0.034 0.000 1.176 146 G CA -0.678 44.450 45.100 0.047 0.000 0.949 146 G HN 0.564 nan 8.290 nan 0.000 0.488 147 T N 3.161 117.751 114.554 0.060 0.000 2.784 147 T HA 0.254 4.608 4.350 0.006 0.000 0.291 147 T C -2.174 172.473 174.700 -0.089 0.000 0.942 147 T CA -0.233 61.899 62.100 0.053 0.000 1.161 147 T CB 0.896 69.859 68.868 0.159 0.000 0.885 147 T HN 0.190 nan 8.240 nan 0.000 0.534 148 P HA 0.166 nan 4.420 nan 0.000 0.265 148 P C 0.773 177.805 177.300 -0.447 0.000 1.193 148 P CA 0.095 63.106 63.100 -0.148 0.000 0.765 148 P CB 0.473 32.211 31.700 0.065 0.000 0.823 149 G N 1.340 109.858 108.800 -0.470 0.000 3.079 149 G HA2 -0.040 3.924 3.960 0.006 0.000 0.233 149 G HA3 -0.040 3.924 3.960 0.006 0.000 0.233 149 G C 1.151 175.953 174.900 -0.164 0.000 1.062 149 G CA 0.120 44.930 45.100 -0.483 0.000 0.809 149 G HN 0.343 nan 8.290 nan 0.000 0.535 150 T N 1.411 115.789 114.554 -0.294 0.000 2.635 150 T HA -0.184 4.170 4.350 0.006 0.000 0.267 150 T C 2.554 176.709 174.700 -0.910 0.000 1.040 150 T CA 1.717 63.407 62.100 -0.682 0.000 1.156 150 T CB -0.259 68.217 68.868 -0.652 0.000 0.863 150 T HN 0.040 nan 8.240 nan 0.000 0.430 151 V N 1.561 121.082 119.914 -0.656 0.000 2.343 151 V HA -0.188 3.935 4.120 0.006 0.000 0.247 151 V C 2.850 178.900 176.094 -0.074 0.000 1.051 151 V CA 1.736 63.816 62.300 -0.368 0.000 1.036 151 V CB -1.214 30.309 31.823 -0.500 0.000 0.654 151 V HN 0.558 nan 8.190 nan 0.000 0.451 152 A N 0.430 123.283 122.820 0.056 0.000 1.902 152 A HA -0.084 4.240 4.320 0.006 0.000 0.217 152 A C 2.426 179.975 177.584 -0.057 0.000 1.181 152 A CA 1.946 54.006 52.037 0.038 0.000 0.623 152 A CB -1.218 17.789 19.000 0.012 0.000 0.818 152 A HN 0.525 nan 8.150 nan 0.000 0.443 153 G N -1.173 107.475 108.800 -0.254 0.000 2.418 153 G HA2 -0.135 3.829 3.960 0.006 0.000 0.217 153 G HA3 -0.135 3.829 3.960 0.006 0.000 0.217 153 G C 1.314 176.018 174.900 -0.326 0.000 1.158 153 G CA 1.068 45.900 45.100 -0.446 0.000 0.771 153 G HN 0.362 nan 8.290 nan 0.000 0.545 154 F N 1.701 121.362 119.950 -0.482 0.000 2.171 154 F HA 0.017 4.547 4.527 0.006 0.000 0.300 154 F C 3.013 178.774 175.800 -0.065 0.000 1.090 154 F CA 0.863 58.712 58.000 -0.250 0.000 1.293 154 F CB -0.825 38.065 39.000 -0.184 0.000 1.013 154 F HN 0.107 nan 8.300 nan 0.000 0.486 155 S N 0.200 115.998 115.700 0.162 0.000 2.387 155 S HA -0.101 4.372 4.470 0.006 0.000 0.226 155 S C 2.232 176.878 174.600 0.077 0.000 1.026 155 S CA 0.530 58.802 58.200 0.120 0.000 0.972 155 S CB -0.481 62.787 63.200 0.114 0.000 0.814 155 S HN 0.352 nan 8.310 nan 0.000 0.477 156 L N 1.170 122.430 121.223 0.061 0.000 2.017 156 L HA -0.148 4.196 4.340 0.006 0.000 0.208 156 L C 2.434 179.361 176.870 0.094 0.000 1.073 156 L CA 1.587 56.462 54.840 0.058 0.000 0.745 156 L CB -0.549 41.547 42.059 0.062 0.000 0.894 156 L HN 0.344 nan 8.230 nan 0.000 0.432 157 A N -0.386 122.520 122.820 0.143 0.000 1.873 157 A HA -0.218 4.106 4.320 0.006 0.000 0.215 157 A C 2.141 179.825 177.584 0.167 0.000 1.186 157 A CA 1.738 53.908 52.037 0.222 0.000 0.616 157 A CB -0.849 18.274 19.000 0.205 0.000 0.823 157 A HN 0.461 nan 8.150 nan 0.000 0.442 158 L N 0.178 121.465 121.223 0.106 0.000 2.017 158 L HA -0.175 4.169 4.340 0.006 0.000 0.208 158 L C 1.640 178.531 176.870 0.034 0.000 1.073 158 L CA 2.512 57.391 54.840 0.065 0.000 0.745 158 L CB -0.594 41.496 42.059 0.052 0.000 0.894 158 L HN 0.347 nan 8.230 nan 0.000 0.432 159 D N -0.662 119.750 120.400 0.019 0.000 2.144 159 D HA -0.203 4.440 4.640 0.006 0.000 0.199 159 D C 2.101 178.358 176.300 -0.072 0.000 0.984 159 D CA 1.356 55.345 54.000 -0.018 0.000 0.834 159 D CB 0.001 40.793 40.800 -0.014 0.000 0.955 159 D HN 0.409 nan 8.370 nan 0.000 0.465 160 K N -0.983 119.341 120.400 -0.127 0.000 2.168 160 K HA -0.022 4.302 4.320 0.006 0.000 0.201 160 K C 1.004 177.329 176.600 -0.458 0.000 1.049 160 K CA 0.447 56.526 56.287 -0.347 0.000 0.974 160 K CB 0.249 32.426 32.500 -0.539 0.000 0.792 160 K HN 0.077 nan 8.250 nan 0.000 0.463 161 Y N -0.334 119.973 120.300 0.011 0.000 2.445 161 Y HA 0.335 4.888 4.550 0.005 0.000 0.247 161 Y C 0.990 176.891 175.900 0.002 0.000 1.129 161 Y CA -0.275 57.829 58.100 0.007 0.000 1.251 161 Y CB 0.906 39.374 38.460 0.013 0.000 1.176 161 Y HN 0.031 nan 8.280 nan 0.000 0.522 162 G N -0.334 108.530 108.800 0.106 0.000 2.557 162 G HA2 0.413 4.377 3.960 0.006 0.000 0.302 162 G HA3 0.413 4.377 3.960 0.006 0.000 0.302 162 G C 0.713 175.630 174.900 0.028 0.000 1.311 162 G CA 0.233 45.370 45.100 0.060 0.000 1.030 162 G HN 0.143 nan 8.290 nan 0.000 0.509 163 T N -3.712 110.850 114.554 0.014 0.000 2.993 163 T HA 0.318 4.671 4.350 0.006 0.000 0.260 163 T C 0.777 175.474 174.700 -0.004 0.000 0.939 163 T CA -0.091 62.011 62.100 0.004 0.000 0.886 163 T CB -0.006 68.865 68.868 0.006 0.000 1.209 163 T HN 0.266 nan 8.240 nan 0.000 0.518 164 M N 2.978 122.573 119.600 -0.008 0.000 2.478 164 M HA 0.527 5.011 4.480 0.006 0.000 0.327 164 M C -2.518 173.770 176.300 -0.021 0.000 1.187 164 M CA -2.382 52.908 55.300 -0.016 0.000 1.022 164 M CB 1.395 33.982 32.600 -0.021 0.000 1.629 164 M HN -0.062 nan 8.290 nan 0.000 0.461 165 P HA 0.052 nan 4.420 nan 0.000 0.274 165 P C 0.332 177.604 177.300 -0.047 0.000 1.231 165 P CA -0.425 62.657 63.100 -0.031 0.000 0.790 165 P CB 0.997 32.678 31.700 -0.031 0.000 0.951 166 L N 3.323 124.517 121.223 -0.049 0.000 2.043 166 L HA -0.280 4.064 4.340 0.006 0.000 0.212 166 L C 2.066 178.853 176.870 -0.138 0.000 1.075 166 L CA 2.595 57.384 54.840 -0.084 0.000 0.752 166 L CB -1.604 40.421 42.059 -0.056 0.000 0.891 166 L HN 0.491 nan 8.230 nan 0.000 0.432 167 N N -0.608 118.026 118.700 -0.109 0.000 2.149 167 N HA -0.294 4.450 4.740 0.006 0.000 0.188 167 N C 1.752 177.197 175.510 -0.109 0.000 1.019 167 N CA 1.731 54.708 53.050 -0.122 0.000 0.857 167 N CB -0.561 37.869 38.487 -0.095 0.000 0.997 167 N HN 0.329 nan 8.380 nan 0.000 0.426 168 K N 0.791 121.142 120.400 -0.081 0.000 2.057 168 K HA -0.025 4.299 4.320 0.006 0.000 0.206 168 K C 1.718 178.277 176.600 -0.067 0.000 1.050 168 K CA 1.409 57.661 56.287 -0.059 0.000 0.935 168 K CB -0.359 32.116 32.500 -0.042 0.000 0.715 168 K HN 0.293 nan 8.250 nan 0.000 0.439 169 V N -2.151 117.706 119.914 -0.096 0.000 3.306 169 V HA 0.038 4.162 4.120 0.006 0.000 0.264 169 V C 1.744 177.744 176.094 -0.157 0.000 1.149 169 V CA 0.949 63.188 62.300 -0.101 0.000 1.143 169 V CB 0.084 31.852 31.823 -0.092 0.000 0.767 169 V HN 0.043 nan 8.190 nan 0.000 0.476 170 V N -0.030 119.733 119.914 -0.251 0.000 2.992 170 V HA -0.078 4.046 4.120 0.006 0.000 0.250 170 V C 2.550 178.600 176.094 -0.073 0.000 1.090 170 V CA 1.520 63.618 62.300 -0.338 0.000 1.101 170 V CB 0.085 31.600 31.823 -0.512 0.000 0.743 170 V HN 0.580 nan 8.190 nan 0.000 0.468 171 Q N 1.075 120.857 119.800 -0.031 0.000 2.096 171 Q HA -0.208 4.135 4.340 0.006 0.000 0.208 171 Q C -0.209 175.874 176.000 0.138 0.000 0.993 171 Q CA 2.682 58.537 55.803 0.088 0.000 0.862 171 Q CB -1.498 27.270 28.738 0.050 0.000 0.915 171 Q HN 0.433 nan 8.270 nan 0.000 0.416 172 P HA -0.153 nan 4.420 nan 0.000 0.215 172 P C 0.721 178.069 177.300 0.080 0.000 1.157 172 P CA 2.199 65.336 63.100 0.061 0.000 0.868 172 P CB -0.352 31.367 31.700 0.032 0.000 0.788 173 A N -1.096 121.789 122.820 0.108 0.000 1.902 173 A HA -0.208 4.115 4.320 0.006 0.000 0.217 173 A C 2.111 179.796 177.584 0.167 0.000 1.181 173 A CA 1.385 53.508 52.037 0.143 0.000 0.623 173 A CB -1.859 17.273 19.000 0.219 0.000 0.818 173 A HN 0.151 nan 8.150 nan 0.000 0.443 174 F N 1.013 120.992 119.950 0.047 0.000 2.095 174 F HA -0.187 4.343 4.527 0.006 0.000 0.298 174 F C 2.069 177.901 175.800 0.053 0.000 1.104 174 F CA 2.208 60.235 58.000 0.046 0.000 1.232 174 F CB -0.316 38.691 39.000 0.012 0.000 0.987 174 F HN 0.147 nan 8.300 nan 0.000 0.475 175 K N 0.228 120.530 120.400 -0.165 0.000 2.057 175 K HA -0.143 4.181 4.320 0.006 0.000 0.207 175 K C 2.163 178.676 176.600 -0.146 0.000 1.049 175 K CA 1.746 57.885 56.287 -0.247 0.000 0.931 175 K CB -0.451 32.017 32.500 -0.054 0.000 0.714 175 K HN 0.353 nan 8.250 nan 0.000 0.440 176 L N 0.379 121.587 121.223 -0.024 0.000 2.083 176 L HA -0.187 4.157 4.340 0.006 0.000 0.209 176 L C 2.523 179.465 176.870 0.121 0.000 1.083 176 L CA 1.094 55.983 54.840 0.081 0.000 0.752 176 L CB -0.447 41.661 42.059 0.082 0.000 0.899 176 L HN 0.217 nan 8.230 nan 0.000 0.433 177 A N -0.292 122.552 122.820 0.041 0.000 1.897 177 A HA -0.177 4.147 4.320 0.006 0.000 0.215 177 A C 2.443 179.983 177.584 -0.072 0.000 1.181 177 A CA 1.263 53.325 52.037 0.043 0.000 0.620 177 A CB -0.426 18.618 19.000 0.073 0.000 0.821 177 A HN 0.302 nan 8.150 nan 0.000 0.443 178 R N -0.331 120.022 120.500 -0.245 0.000 2.062 178 R HA -0.121 4.223 4.340 0.006 0.000 0.229 178 R C 0.861 177.064 176.300 -0.162 0.000 1.128 178 R CA 1.803 57.736 56.100 -0.280 0.000 0.960 178 R CB -0.205 29.741 30.300 -0.590 0.000 0.855 178 R HN 0.416 nan 8.270 nan 0.000 0.432 179 D N -0.693 119.623 120.400 -0.139 0.000 2.333 179 D HA 0.142 4.785 4.640 0.006 0.000 0.208 179 D C 0.802 177.079 176.300 -0.038 0.000 0.984 179 D CA 1.042 54.997 54.000 -0.075 0.000 0.873 179 D CB 0.502 41.267 40.800 -0.058 0.000 0.935 179 D HN 0.486 nan 8.370 nan 0.000 0.521 180 G N 0.987 109.782 108.800 -0.008 0.000 2.795 180 G HA2 -0.023 3.941 3.960 0.006 0.000 0.664 180 G HA3 -0.023 3.941 3.960 0.006 0.000 0.664 180 G C -0.561 174.399 174.900 0.101 0.000 1.381 180 G CA -0.423 44.666 45.100 -0.019 0.000 0.853 180 G HN 0.269 nan 8.290 nan 0.000 0.545 181 F N -2.081 117.869 119.950 -0.000 0.000 2.645 181 F HA 0.813 5.344 4.527 0.007 0.000 0.310 181 F C -0.133 175.676 175.800 0.016 0.000 1.102 181 F CA -1.977 56.030 58.000 0.010 0.000 0.952 181 F CB 0.969 39.984 39.000 0.024 0.000 1.326 181 F HN 0.573 nan 8.300 nan 0.000 0.456 182 I N 2.726 123.405 120.570 0.180 0.000 2.496 182 I HA 0.230 4.404 4.170 0.006 0.000 0.285 182 I C -0.165 176.050 176.117 0.163 0.000 1.080 182 I CA -0.849 60.499 61.300 0.081 0.000 1.404 182 I CB 1.153 39.205 38.000 0.087 0.000 1.403 182 I HN 0.405 nan 8.210 nan 0.000 0.539 183 V N 7.127 127.063 119.914 0.037 0.000 2.521 183 V HA 0.003 4.127 4.120 0.006 0.000 0.286 183 V C 0.400 176.562 176.094 0.113 0.000 1.034 183 V CA -0.335 62.024 62.300 0.098 0.000 1.045 183 V CB 0.313 32.144 31.823 0.014 0.000 0.974 183 V HN 0.887 nan 8.190 nan 0.000 0.480 184 N N 3.491 122.284 118.700 0.155 0.000 2.566 184 N HA 0.225 4.968 4.740 0.006 0.000 0.299 184 N C 0.630 176.191 175.510 0.085 0.000 1.277 184 N CA -0.709 52.406 53.050 0.108 0.000 0.965 184 N CB 0.379 38.934 38.487 0.113 0.000 1.142 184 N HN 0.426 nan 8.380 nan 0.000 0.596 185 D N -0.647 119.793 120.400 0.068 0.000 2.097 185 D HA -0.144 4.500 4.640 0.006 0.000 0.195 185 D C 1.692 178.035 176.300 0.072 0.000 0.989 185 D CA 1.860 55.894 54.000 0.056 0.000 0.827 185 D CB -0.337 40.491 40.800 0.046 0.000 0.966 185 D HN 0.659 nan 8.370 nan 0.000 0.456 186 A N 1.319 124.192 122.820 0.089 0.000 1.865 186 A HA -0.187 4.137 4.320 0.006 0.000 0.217 186 A C 2.191 179.853 177.584 0.129 0.000 1.191 186 A CA 1.190 53.294 52.037 0.112 0.000 0.623 186 A CB -0.810 18.265 19.000 0.125 0.000 0.826 186 A HN 0.222 nan 8.150 nan 0.000 0.444 187 L N -0.387 120.924 121.223 0.146 0.000 2.056 187 L HA 0.002 4.346 4.340 0.006 0.000 0.207 187 L C 2.693 179.625 176.870 0.104 0.000 1.078 187 L CA 2.164 57.093 54.840 0.149 0.000 0.749 187 L CB -0.967 41.223 42.059 0.219 0.000 0.901 187 L HN 0.362 nan 8.230 nan 0.000 0.433 188 A N -0.640 122.227 122.820 0.079 0.000 1.883 188 A HA -0.238 4.086 4.320 0.006 0.000 0.217 188 A C 1.994 179.592 177.584 0.024 0.000 1.186 188 A CA 1.990 54.045 52.037 0.030 0.000 0.624 188 A CB -0.919 18.089 19.000 0.014 0.000 0.822 188 A HN 0.521 nan 8.150 nan 0.000 0.444 189 D N 0.236 120.662 120.400 0.044 0.000 2.097 189 D HA -0.119 4.525 4.640 0.006 0.000 0.195 189 D C 1.412 177.750 176.300 0.064 0.000 0.989 189 D CA 1.443 55.467 54.000 0.040 0.000 0.827 189 D CB -0.413 40.419 40.800 0.054 0.000 0.966 189 D HN 0.399 nan 8.370 nan 0.000 0.456 190 D N 0.030 120.503 120.400 0.122 0.000 2.144 190 D HA -0.063 4.581 4.640 0.006 0.000 0.200 190 D C 2.357 178.757 176.300 0.165 0.000 0.978 190 D CA 0.280 54.406 54.000 0.211 0.000 0.833 190 D CB -0.206 40.702 40.800 0.181 0.000 0.961 190 D HN 0.225 nan 8.370 nan 0.000 0.470 191 L N 0.398 121.683 121.223 0.105 0.000 2.046 191 L HA -0.192 4.152 4.340 0.006 0.000 0.208 191 L C 2.375 179.325 176.870 0.134 0.000 1.077 191 L CA 1.059 55.974 54.840 0.125 0.000 0.747 191 L CB -0.232 41.861 42.059 0.056 0.000 0.896 191 L HN -0.039 nan 8.230 nan 0.000 0.432 192 K N -0.446 119.971 120.400 0.028 0.000 2.062 192 K HA -0.094 4.230 4.320 0.006 0.000 0.205 192 K C 1.883 178.491 176.600 0.014 0.000 1.051 192 K CA 1.764 58.054 56.287 0.005 0.000 0.941 192 K CB -0.236 32.236 32.500 -0.046 0.000 0.719 192 K HN 0.120 nan 8.250 nan 0.000 0.440 193 T N -0.518 114.000 114.554 -0.060 0.000 2.755 193 T HA -0.001 4.353 4.350 0.006 0.000 0.251 193 T C 1.493 176.032 174.700 -0.270 0.000 1.044 193 T CA 1.424 63.380 62.100 -0.241 0.000 1.154 193 T CB -0.445 68.136 68.868 -0.478 0.000 0.866 193 T HN 0.124 nan 8.240 nan 0.000 0.416 194 Y N 1.136 121.459 120.300 0.039 0.000 2.269 194 Y HA 0.258 4.812 4.550 0.007 0.000 0.294 194 Y C 2.793 178.714 175.900 0.035 0.000 1.120 194 Y CA 0.326 58.438 58.100 0.020 0.000 1.159 194 Y CB -1.012 37.444 38.460 -0.008 0.000 1.024 194 Y HN 0.270 nan 8.280 nan 0.000 0.532 195 G N -0.620 108.314 108.800 0.222 0.000 2.442 195 G HA2 -0.252 3.711 3.960 0.006 0.000 0.219 195 G HA3 -0.252 3.711 3.960 0.006 0.000 0.219 195 G C 1.841 176.858 174.900 0.196 0.000 1.141 195 G CA 1.320 46.545 45.100 0.208 0.000 0.763 195 G HN 0.354 nan 8.290 nan 0.000 0.554 196 S N 0.600 116.489 115.700 0.315 0.000 2.419 196 S HA -0.108 4.365 4.470 0.006 0.000 0.235 196 S C 2.064 176.681 174.600 0.028 0.000 1.019 196 S CA 1.360 59.710 58.200 0.250 0.000 0.982 196 S CB -0.184 63.175 63.200 0.266 0.000 0.789 196 S HN 0.637 nan 8.310 nan 0.000 0.490 197 E N 0.257 120.474 120.200 0.029 0.000 2.285 197 E HA -0.046 4.308 4.350 0.006 0.000 0.194 197 E C 1.798 178.376 176.600 -0.037 0.000 0.997 197 E CA 1.274 57.672 56.400 -0.003 0.000 0.845 197 E CB 0.102 29.818 29.700 0.026 0.000 0.782 197 E HN 0.626 nan 8.360 nan 0.000 0.491 198 V N -3.630 116.251 119.914 -0.055 0.000 3.161 198 V HA 0.062 4.186 4.120 0.006 0.000 0.228 198 V C 1.920 177.969 176.094 -0.074 0.000 1.415 198 V CA -0.217 62.057 62.300 -0.042 0.000 1.285 198 V CB -0.456 31.379 31.823 0.019 0.000 1.100 198 V HN 0.045 nan 8.190 nan 0.000 0.478 199 L N 1.576 122.707 121.223 -0.153 0.000 2.013 199 L HA -0.026 4.317 4.340 0.006 0.000 0.212 199 L C 0.034 176.673 176.870 -0.384 0.000 1.073 199 L CA 2.532 57.255 54.840 -0.194 0.000 0.753 199 L CB -1.796 40.156 42.059 -0.179 0.000 0.890 199 L HN 0.374 nan 8.230 nan 0.000 0.432 200 P HA -0.084 nan 4.420 nan 0.000 0.237 200 P C 0.419 177.474 177.300 -0.408 0.000 1.178 200 P CA 1.020 63.666 63.100 -0.756 0.000 0.766 200 P CB -0.107 30.955 31.700 -1.064 0.000 0.876 201 N N -0.637 117.834 118.700 -0.382 0.000 2.398 201 N HA -0.012 4.732 4.740 0.006 0.000 0.188 201 N C 0.167 175.276 175.510 -0.668 0.000 1.122 201 N CA 0.546 53.315 53.050 -0.468 0.000 0.866 201 N CB -0.141 38.044 38.487 -0.504 0.000 0.970 201 N HN 0.398 nan 8.380 nan 0.000 0.462 202 H N 0.028 119.047 119.070 -0.086 0.000 2.744 202 H HA 0.213 4.773 4.556 0.006 0.000 0.339 202 H C 0.594 175.907 175.328 -0.026 0.000 1.004 202 H CA -0.413 55.617 56.048 -0.030 0.000 1.257 202 H CB 1.852 31.606 29.762 -0.013 0.000 1.552 202 H HN 0.023 nan 8.280 nan 0.000 0.522 203 E N 2.099 122.345 120.200 0.077 0.000 2.065 203 E HA -0.251 4.102 4.350 0.006 0.000 0.201 203 E C 1.487 178.124 176.600 0.061 0.000 1.016 203 E CA 1.883 58.311 56.400 0.046 0.000 0.818 203 E CB 0.102 29.825 29.700 0.038 0.000 0.749 203 E HN 0.721 nan 8.360 nan 0.000 0.453 204 N N 0.085 118.834 118.700 0.081 0.000 2.188 204 N HA -0.108 4.636 4.740 0.006 0.000 0.184 204 N C 1.883 177.445 175.510 0.087 0.000 1.018 204 N CA 1.124 54.213 53.050 0.066 0.000 0.858 204 N CB -0.108 38.414 38.487 0.059 0.000 0.989 204 N HN -0.095 nan 8.380 nan 0.000 0.426 205 S N 1.171 116.955 115.700 0.139 0.000 2.355 205 S HA -0.107 4.367 4.470 0.006 0.000 0.222 205 S C 1.818 176.559 174.600 0.235 0.000 1.031 205 S CA 0.770 59.111 58.200 0.235 0.000 0.993 205 S CB -0.237 63.099 63.200 0.227 0.000 0.859 205 S HN 0.373 nan 8.310 nan 0.000 0.453 206 K N 1.529 121.995 120.400 0.110 0.000 2.097 206 K HA -0.042 4.282 4.320 0.006 0.000 0.206 206 K C 2.116 178.804 176.600 0.147 0.000 1.049 206 K CA 1.125 57.460 56.287 0.080 0.000 0.933 206 K CB -0.322 32.146 32.500 -0.052 0.000 0.717 206 K HN 0.307 nan 8.250 nan 0.000 0.442 207 A N 0.682 123.548 122.820 0.077 0.000 2.070 207 A HA -0.095 4.229 4.320 0.006 0.000 0.220 207 A C 1.897 179.471 177.584 -0.016 0.000 1.159 207 A CA 1.248 53.309 52.037 0.039 0.000 0.656 207 A CB -0.333 18.676 19.000 0.015 0.000 0.800 207 A HN 0.345 nan 8.150 nan 0.000 0.453 208 I N -3.026 117.492 120.570 -0.087 0.000 2.729 208 I HA 0.027 4.201 4.170 0.006 0.000 0.256 208 I C 1.485 177.353 176.117 -0.416 0.000 1.115 208 I CA 0.699 61.786 61.300 -0.354 0.000 1.446 208 I CB -0.007 37.585 38.000 -0.679 0.000 1.176 208 I HN 0.254 nan 8.210 nan 0.000 0.446 209 F N -0.811 119.251 119.950 0.186 0.000 2.746 209 F HA 0.150 4.680 4.527 0.006 0.000 0.297 209 F C 0.900 176.936 175.800 0.394 0.000 1.113 209 F CA -0.196 57.961 58.000 0.262 0.000 1.367 209 F CB 0.004 39.196 39.000 0.320 0.000 1.111 209 F HN -0.008 nan 8.300 nan 0.000 0.590 210 W N 1.417 122.790 121.300 0.121 0.000 2.578 210 W HA 0.495 5.158 4.660 0.006 0.000 0.346 210 W C -0.343 176.191 176.519 0.024 0.000 1.075 210 W CA -0.970 56.419 57.345 0.074 0.000 1.233 210 W CB 1.714 31.215 29.460 0.068 0.000 1.358 210 W HN -0.401 nan 8.180 nan 0.000 0.574 211 K N 2.177 122.585 120.400 0.012 0.000 2.553 211 K HA 0.103 4.426 4.320 0.006 0.000 0.250 211 K C -0.503 176.080 176.600 -0.029 0.000 0.953 211 K CA -0.292 55.991 56.287 -0.006 0.000 0.800 211 K CB 1.297 33.763 32.500 -0.057 0.000 1.243 211 K HN 0.645 nan 8.250 nan 0.000 0.435 212 E N 2.131 122.341 120.200 0.017 0.000 2.440 212 E HA -0.267 4.087 4.350 0.006 0.000 0.246 212 E C 0.462 177.081 176.600 0.032 0.000 1.165 212 E CA 0.869 57.277 56.400 0.013 0.000 0.726 212 E CB -1.455 28.234 29.700 -0.017 0.000 1.271 212 E HN 1.129 nan 8.360 nan 0.000 0.397 213 G N -0.813 108.053 108.800 0.110 0.000 2.168 213 G HA2 -0.337 3.627 3.960 0.006 0.000 0.263 213 G HA3 -0.337 3.627 3.960 0.006 0.000 0.263 213 G C 0.015 175.012 174.900 0.162 0.000 0.977 213 G CA 0.877 46.096 45.100 0.198 0.000 0.659 213 G HN 0.286 nan 8.290 nan 0.000 0.533 214 E N 0.047 120.154 120.200 -0.155 0.000 2.392 214 E HA 0.484 4.837 4.350 0.006 0.000 0.269 214 E C -2.664 173.180 176.600 -1.261 0.000 0.924 214 E CA -1.868 54.234 56.400 -0.496 0.000 0.784 214 E CB 2.371 31.910 29.700 -0.269 0.000 1.292 214 E HN 0.129 nan 8.360 nan 0.000 0.447 215 P HA 0.122 nan 4.420 nan 0.000 0.272 215 P C 0.165 177.059 177.300 -0.675 0.000 1.223 215 P CA -0.214 61.868 63.100 -1.696 0.000 0.784 215 P CB 0.733 31.675 31.700 -1.262 0.000 0.923 216 L N 2.121 123.116 121.223 -0.379 0.000 2.514 216 L HA 0.018 4.361 4.340 0.006 0.000 0.280 216 L C 1.366 178.141 176.870 -0.159 0.000 1.223 216 L CA 0.492 55.221 54.840 -0.186 0.000 0.864 216 L CB -0.203 41.813 42.059 -0.072 0.000 1.118 216 L HN 0.272 nan 8.230 nan 0.000 0.494 217 K N 2.902 123.228 120.400 -0.123 0.000 2.139 217 K HA 0.283 4.607 4.320 0.006 0.000 0.243 217 K C -0.429 176.142 176.600 -0.048 0.000 0.983 217 K CA -0.971 55.263 56.287 -0.089 0.000 0.890 217 K CB 0.942 33.391 32.500 -0.085 0.000 1.090 217 K HN 0.348 nan 8.250 nan 0.000 0.445 218 K N 0.208 120.592 120.400 -0.027 0.000 2.484 218 K HA 0.044 4.368 4.320 0.006 0.000 0.280 218 K C 0.675 177.269 176.600 -0.010 0.000 1.013 218 K CA 1.379 57.664 56.287 -0.003 0.000 1.029 218 K CB -0.185 32.318 32.500 0.006 0.000 0.902 218 K HN 0.758 nan 8.250 nan 0.000 0.481 219 G N 3.225 112.024 108.800 -0.001 0.000 2.254 219 G HA2 -0.205 3.759 3.960 0.006 0.000 0.225 219 G HA3 -0.205 3.759 3.960 0.006 0.000 0.225 219 G C -0.131 174.754 174.900 -0.025 0.000 1.003 219 G CA 0.073 45.169 45.100 -0.007 0.000 0.622 219 G HN 0.708 nan 8.290 nan 0.000 0.507 220 D N 1.113 121.488 120.400 -0.042 0.000 2.361 220 D HA 0.502 5.146 4.640 0.006 0.000 0.239 220 D C 0.323 176.568 176.300 -0.092 0.000 1.200 220 D CA 0.792 54.753 54.000 -0.066 0.000 0.915 220 D CB 0.800 41.553 40.800 -0.079 0.000 1.170 220 D HN 0.113 nan 8.370 nan 0.000 0.444 221 T N 1.299 115.783 114.554 -0.116 0.000 2.771 221 T HA 0.353 4.707 4.350 0.006 0.000 0.281 221 T C -0.306 174.248 174.700 -0.245 0.000 0.982 221 T CA -0.590 61.407 62.100 -0.171 0.000 0.978 221 T CB 0.866 69.663 68.868 -0.118 0.000 0.930 221 T HN 0.085 nan 8.240 nan 0.000 0.447 222 L N 5.944 126.900 121.223 -0.444 0.000 2.264 222 L HA 0.621 4.964 4.340 0.006 0.000 0.287 222 L C -0.897 175.725 176.870 -0.414 0.000 1.039 222 L CA -0.344 54.217 54.840 -0.465 0.000 0.829 222 L CB 0.531 42.208 42.059 -0.638 0.000 1.211 222 L HN 0.397 nan 8.230 nan 0.000 0.427 223 V N 5.459 125.231 119.914 -0.237 0.000 2.483 223 V HA 0.454 4.578 4.120 0.006 0.000 0.295 223 V C -0.189 175.824 176.094 -0.134 0.000 1.035 223 V CA -0.461 61.748 62.300 -0.152 0.000 0.896 223 V CB 1.659 33.414 31.823 -0.113 0.000 0.986 223 V HN 0.750 nan 8.190 nan 0.000 0.447 224 Q N 3.064 122.817 119.800 -0.078 0.000 2.907 224 Q HA 0.446 4.790 4.340 0.006 0.000 0.262 224 Q C 0.895 176.881 176.000 -0.023 0.000 0.997 224 Q CA -0.248 55.517 55.803 -0.064 0.000 0.797 224 Q CB 1.512 30.246 28.738 -0.007 0.000 1.228 224 Q HN 0.916 nan 8.270 nan 0.000 0.466 225 A N 1.706 124.505 122.820 -0.035 0.000 1.902 225 A HA -0.233 4.091 4.320 0.006 0.000 0.217 225 A C 1.625 179.227 177.584 0.029 0.000 1.181 225 A CA 1.654 53.687 52.037 -0.007 0.000 0.623 225 A CB -0.100 18.892 19.000 -0.014 0.000 0.818 225 A HN 0.473 nan 8.150 nan 0.000 0.443 226 N N -0.340 118.371 118.700 0.018 0.000 2.142 226 N HA -0.109 4.635 4.740 0.006 0.000 0.186 226 N C 1.540 177.093 175.510 0.070 0.000 1.023 226 N CA 1.360 54.432 53.050 0.037 0.000 0.852 226 N CB -0.560 37.939 38.487 0.019 0.000 0.998 226 N HN 0.405 nan 8.380 nan 0.000 0.424 227 L N 0.984 122.253 121.223 0.075 0.000 2.131 227 L HA 0.022 4.366 4.340 0.006 0.000 0.210 227 L C 1.972 178.942 176.870 0.166 0.000 1.092 227 L CA 1.313 56.226 54.840 0.122 0.000 0.759 227 L CB -0.831 41.306 42.059 0.130 0.000 0.903 227 L HN 0.125 nan 8.230 nan 0.000 0.435 228 A N -0.556 122.356 122.820 0.153 0.000 1.902 228 A HA -0.245 4.079 4.320 0.006 0.000 0.217 228 A C 2.338 180.139 177.584 0.361 0.000 1.181 228 A CA 1.864 54.050 52.037 0.248 0.000 0.623 228 A CB -0.573 18.471 19.000 0.073 0.000 0.818 228 A HN 0.416 nan 8.150 nan 0.000 0.443 229 K N 0.450 120.981 120.400 0.218 0.000 2.057 229 K HA -0.051 4.273 4.320 0.006 0.000 0.207 229 K C 2.136 178.810 176.600 0.122 0.000 1.049 229 K CA 2.033 58.417 56.287 0.162 0.000 0.931 229 K CB -0.581 31.978 32.500 0.099 0.000 0.714 229 K HN 0.342 nan 8.250 nan 0.000 0.440 230 S N 0.627 116.403 115.700 0.127 0.000 2.368 230 S HA -0.079 4.395 4.470 0.006 0.000 0.225 230 S C 1.808 176.494 174.600 0.142 0.000 1.030 230 S CA 1.422 59.694 58.200 0.120 0.000 0.999 230 S CB -0.328 62.953 63.200 0.134 0.000 0.844 230 S HN 0.259 nan 8.310 nan 0.000 0.459 231 L N 1.081 122.418 121.223 0.190 0.000 2.056 231 L HA -0.106 4.237 4.340 0.006 0.000 0.207 231 L C 2.690 179.567 176.870 0.011 0.000 1.078 231 L CA 1.311 56.257 54.840 0.178 0.000 0.749 231 L CB -0.450 41.787 42.059 0.297 0.000 0.901 231 L HN 0.366 nan 8.230 nan 0.000 0.433 232 E N -0.070 120.093 120.200 -0.062 0.000 2.110 232 E HA -0.232 4.122 4.350 0.006 0.000 0.193 232 E C 2.318 178.813 176.600 -0.175 0.000 0.988 232 E CA 1.080 57.271 56.400 -0.348 0.000 0.804 232 E CB 0.148 29.612 29.700 -0.394 0.000 0.745 232 E HN 0.319 nan 8.360 nan 0.000 0.458 233 M N 0.378 119.943 119.600 -0.059 0.000 2.200 233 M HA -0.106 4.378 4.480 0.006 0.000 0.265 233 M C 2.207 178.502 176.300 -0.008 0.000 1.066 233 M CA 0.816 56.101 55.300 -0.026 0.000 1.127 233 M CB -0.511 32.094 32.600 0.008 0.000 1.379 233 M HN 0.217 nan 8.290 nan 0.000 0.420 234 I N 0.334 120.915 120.570 0.019 0.000 2.252 234 I HA -0.164 4.010 4.170 0.006 0.000 0.245 234 I C 2.573 178.676 176.117 -0.023 0.000 1.102 234 I CA 1.270 62.598 61.300 0.047 0.000 1.385 234 I CB -1.491 36.580 38.000 0.118 0.000 1.064 234 I HN 0.148 nan 8.210 nan 0.000 0.414 235 A N 0.284 123.047 122.820 -0.094 0.000 1.933 235 A HA -0.246 4.078 4.320 0.006 0.000 0.218 235 A C 2.377 179.900 177.584 -0.103 0.000 1.175 235 A CA 1.975 53.928 52.037 -0.139 0.000 0.628 235 A CB -0.568 18.304 19.000 -0.213 0.000 0.814 235 A HN 0.534 nan 8.150 nan 0.000 0.444 236 E N -0.706 119.437 120.200 -0.095 0.000 2.122 236 E HA -0.092 4.262 4.350 0.006 0.000 0.190 236 E C 1.067 177.647 176.600 -0.034 0.000 0.977 236 E CA 0.923 57.281 56.400 -0.070 0.000 0.820 236 E CB -0.005 29.649 29.700 -0.077 0.000 0.770 236 E HN 0.577 nan 8.360 nan 0.000 0.462 237 N N -0.039 118.652 118.700 -0.015 0.000 2.254 237 N HA 0.134 4.877 4.740 0.006 0.000 0.190 237 N C 0.452 175.981 175.510 0.031 0.000 1.107 237 N CA 0.824 53.880 53.050 0.010 0.000 0.869 237 N CB 1.435 39.933 38.487 0.018 0.000 0.983 237 N HN 0.246 nan 8.380 nan 0.000 0.487 238 G N 1.835 110.654 108.800 0.033 0.000 2.728 238 G HA2 -0.185 3.779 3.960 0.006 0.000 0.294 238 G HA3 -0.185 3.779 3.960 0.006 0.000 0.294 238 G C -2.023 172.947 174.900 0.117 0.000 1.342 238 G CA -0.295 44.842 45.100 0.060 0.000 0.866 238 G HN -0.010 nan 8.290 nan 0.000 0.534 239 P HA -0.040 nan 4.420 nan 0.000 0.221 239 P C 0.897 178.398 177.300 0.336 0.000 1.145 239 P CA 1.719 64.975 63.100 0.259 0.000 0.795 239 P CB -0.015 31.839 31.700 0.256 0.000 0.775 240 D N 0.234 120.774 120.400 0.234 0.000 2.263 240 D HA -0.164 4.480 4.640 0.006 0.000 0.208 240 D C 1.936 178.346 176.300 0.183 0.000 0.971 240 D CA 0.978 55.112 54.000 0.224 0.000 0.867 240 D CB -0.356 40.526 40.800 0.135 0.000 0.929 240 D HN 0.246 nan 8.370 nan 0.000 0.492 241 E N 0.134 120.423 120.200 0.148 0.000 2.085 241 E HA -0.183 4.171 4.350 0.006 0.000 0.194 241 E C 1.800 178.442 176.600 0.069 0.000 0.994 241 E CA 0.839 57.295 56.400 0.093 0.000 0.801 241 E CB -0.505 29.247 29.700 0.086 0.000 0.743 241 E HN 0.327 nan 8.360 nan 0.000 0.453 242 F N -0.851 119.066 119.950 -0.056 0.000 2.128 242 F HA -0.077 4.454 4.527 0.007 0.000 0.295 242 F C 1.407 176.990 175.800 -0.362 0.000 1.100 242 F CA 1.289 59.136 58.000 -0.255 0.000 1.260 242 F CB -0.118 38.617 39.000 -0.442 0.000 1.009 242 F HN 0.052 nan 8.300 nan 0.000 0.476 243 Y N -0.253 120.200 120.300 0.256 0.000 2.517 243 Y HA 0.152 4.706 4.550 0.007 0.000 0.281 243 Y C 1.594 177.534 175.900 0.067 0.000 1.125 243 Y CA 0.627 58.830 58.100 0.172 0.000 1.283 243 Y CB -0.006 38.601 38.460 0.244 0.000 1.042 243 Y HN -0.005 nan 8.280 nan 0.000 0.547 244 K N -1.710 118.780 120.400 0.149 0.000 2.562 244 K HA 0.245 4.569 4.320 0.006 0.000 0.218 244 K C 1.129 177.750 176.600 0.035 0.000 1.374 244 K CA 0.333 56.674 56.287 0.090 0.000 0.996 244 K CB 0.943 33.508 32.500 0.109 0.000 1.127 244 K HN 0.160 nan 8.250 nan 0.000 0.603 245 G N 0.455 109.264 108.800 0.016 0.000 2.630 245 G HA2 0.034 3.998 3.960 0.006 0.000 0.223 245 G HA3 0.034 3.998 3.960 0.006 0.000 0.223 245 G C 0.854 175.730 174.900 -0.040 0.000 1.434 245 G CA -0.047 45.051 45.100 -0.003 0.000 1.057 245 G HN -0.105 nan 8.290 nan 0.000 0.570 246 T N 0.439 114.973 114.554 -0.034 0.000 2.720 246 T HA -0.136 4.218 4.350 0.006 0.000 0.268 246 T C 2.421 177.069 174.700 -0.086 0.000 1.037 246 T CA 1.405 63.478 62.100 -0.045 0.000 1.144 246 T CB -0.289 68.564 68.868 -0.024 0.000 0.864 246 T HN 0.308 nan 8.240 nan 0.000 0.444 247 I N 1.304 121.800 120.570 -0.125 0.000 2.226 247 I HA -0.176 3.998 4.170 0.006 0.000 0.245 247 I C 2.932 178.848 176.117 -0.335 0.000 1.100 247 I CA 1.103 62.265 61.300 -0.230 0.000 1.374 247 I CB -0.529 37.288 38.000 -0.305 0.000 1.057 247 I HN 0.186 nan 8.210 nan 0.000 0.413 248 A N 0.682 123.305 122.820 -0.327 0.000 1.908 248 A HA -0.252 4.072 4.320 0.006 0.000 0.218 248 A C 2.199 179.683 177.584 -0.166 0.000 1.181 248 A CA 1.929 53.795 52.037 -0.286 0.000 0.627 248 A CB -0.644 18.261 19.000 -0.158 0.000 0.818 248 A HN 0.482 nan 8.150 nan 0.000 0.445 249 E N -0.476 119.656 120.200 -0.113 0.000 2.077 249 E HA -0.241 4.113 4.350 0.006 0.000 0.193 249 E C 2.278 178.834 176.600 -0.074 0.000 0.989 249 E CA 1.453 57.810 56.400 -0.071 0.000 0.800 249 E CB -0.226 29.445 29.700 -0.048 0.000 0.746 249 E HN 0.750 nan 8.360 nan 0.000 0.452 250 Q N 0.277 120.022 119.800 -0.092 0.000 2.124 250 Q HA -0.126 4.217 4.340 0.006 0.000 0.202 250 Q C 2.210 178.163 176.000 -0.079 0.000 0.977 250 Q CA 1.009 56.767 55.803 -0.075 0.000 0.850 250 Q CB -0.023 28.671 28.738 -0.074 0.000 0.901 250 Q HN 0.344 nan 8.270 nan 0.000 0.429 251 I N 0.262 120.754 120.570 -0.130 0.000 2.233 251 I HA -0.228 3.945 4.170 0.006 0.000 0.243 251 I C 2.391 178.472 176.117 -0.060 0.000 1.093 251 I CA 0.839 62.070 61.300 -0.114 0.000 1.380 251 I CB -0.363 37.514 38.000 -0.204 0.000 1.067 251 I HN 0.146 nan 8.210 nan 0.000 0.413 252 A N 0.273 123.055 122.820 -0.064 0.000 1.908 252 A HA -0.264 4.060 4.320 0.006 0.000 0.218 252 A C 2.262 179.832 177.584 -0.022 0.000 1.181 252 A CA 1.659 53.676 52.037 -0.032 0.000 0.627 252 A CB -0.623 18.359 19.000 -0.030 0.000 0.818 252 A HN 0.481 nan 8.150 nan 0.000 0.445 253 Q N -1.223 118.561 119.800 -0.027 0.000 2.079 253 Q HA -0.204 4.140 4.340 0.006 0.000 0.200 253 Q C 2.116 178.106 176.000 -0.018 0.000 0.974 253 Q CA 1.462 57.252 55.803 -0.022 0.000 0.840 253 Q CB -0.173 28.552 28.738 -0.022 0.000 0.898 253 Q HN 0.742 nan 8.270 nan 0.000 0.430 254 E N 0.676 120.874 120.200 -0.004 0.000 2.085 254 E HA -0.193 4.161 4.350 0.006 0.000 0.194 254 E C 1.831 178.443 176.600 0.019 0.000 0.994 254 E CA 1.396 57.813 56.400 0.029 0.000 0.801 254 E CB 0.027 29.765 29.700 0.063 0.000 0.743 254 E HN 0.190 nan 8.360 nan 0.000 0.453 255 M N 0.055 119.675 119.600 0.034 0.000 2.123 255 M HA -0.097 4.387 4.480 0.006 0.000 0.263 255 M C 2.280 178.553 176.300 -0.046 0.000 1.069 255 M CA 1.409 56.726 55.300 0.028 0.000 1.133 255 M CB -1.124 31.504 32.600 0.046 0.000 1.356 255 M HN 0.247 nan 8.290 nan 0.000 0.415 256 Q N 1.389 121.169 119.800 -0.033 0.000 2.135 256 Q HA -0.170 4.174 4.340 0.006 0.000 0.204 256 Q C 1.585 177.548 176.000 -0.060 0.000 0.981 256 Q CA 1.651 57.432 55.803 -0.038 0.000 0.856 256 Q CB -0.128 28.595 28.738 -0.025 0.000 0.902 256 Q HN 0.508 nan 8.270 nan 0.000 0.425 257 K N -0.217 120.138 120.400 -0.076 0.000 2.366 257 K HA 0.042 4.366 4.320 0.006 0.000 0.198 257 K C 0.805 177.321 176.600 -0.140 0.000 1.044 257 K CA 0.533 56.769 56.287 -0.085 0.000 0.973 257 K CB 0.299 32.761 32.500 -0.064 0.000 0.767 257 K HN 0.156 nan 8.250 nan 0.000 0.475 258 N N -0.084 118.467 118.700 -0.249 0.000 2.351 258 N HA 0.069 4.812 4.740 0.006 0.000 0.254 258 N C 0.114 175.450 175.510 -0.290 0.000 1.241 258 N CA 0.443 53.259 53.050 -0.389 0.000 0.883 258 N CB 1.751 39.665 38.487 -0.954 0.000 1.202 258 N HN 0.261 nan 8.380 nan 0.000 0.512 259 G N 0.492 109.206 108.800 -0.142 0.000 2.143 259 G HA2 -0.233 3.731 3.960 0.006 0.000 0.248 259 G HA3 -0.233 3.731 3.960 0.006 0.000 0.248 259 G C 0.498 175.391 174.900 -0.011 0.000 0.991 259 G CA 0.132 45.197 45.100 -0.058 0.000 0.689 259 G HN 0.529 nan 8.290 nan 0.000 0.522 260 G N -1.390 107.403 108.800 -0.011 0.000 2.580 260 G HA2 0.611 4.575 3.960 0.006 0.000 0.278 260 G HA3 0.611 4.575 3.960 0.006 0.000 0.278 260 G C 0.985 175.908 174.900 0.038 0.000 1.212 260 G CA -0.358 44.785 45.100 0.072 0.000 0.939 260 G HN 0.512 nan 8.290 nan 0.000 0.513 261 L N -0.316 120.936 121.223 0.048 0.000 2.642 261 L HA 0.313 4.657 4.340 0.006 0.000 0.233 261 L C 0.748 177.638 176.870 0.034 0.000 1.077 261 L CA -0.111 54.747 54.840 0.029 0.000 0.879 261 L CB 0.017 42.087 42.059 0.020 0.000 1.151 261 L HN 0.317 nan 8.230 nan 0.000 0.495 262 I N 1.798 122.394 120.570 0.044 0.000 2.662 262 I HA -0.043 4.130 4.170 0.006 0.000 0.285 262 I C 0.845 176.980 176.117 0.030 0.000 1.161 262 I CA 0.468 61.793 61.300 0.043 0.000 1.415 262 I CB 0.364 38.387 38.000 0.039 0.000 1.385 262 I HN 0.221 nan 8.210 nan 0.000 0.552 263 T N 2.069 116.644 114.554 0.036 0.000 2.927 263 T HA 0.390 4.744 4.350 0.006 0.000 0.286 263 T C 0.807 175.527 174.700 0.033 0.000 1.040 263 T CA -1.003 61.113 62.100 0.027 0.000 1.010 263 T CB 1.760 70.645 68.868 0.029 0.000 1.177 263 T HN 0.485 nan 8.240 nan 0.000 0.546 264 K N 0.191 120.606 120.400 0.024 0.000 2.148 264 K HA -0.070 4.254 4.320 0.006 0.000 0.204 264 K C 2.132 178.768 176.600 0.059 0.000 1.050 264 K CA 1.327 57.633 56.287 0.032 0.000 0.942 264 K CB -0.046 32.465 32.500 0.018 0.000 0.724 264 K HN 0.665 nan 8.250 nan 0.000 0.446 265 E N 0.983 121.216 120.200 0.054 0.000 2.072 265 E HA -0.175 4.179 4.350 0.006 0.000 0.191 265 E C 1.553 178.206 176.600 0.089 0.000 0.985 265 E CA 0.974 57.412 56.400 0.063 0.000 0.801 265 E CB 0.002 29.732 29.700 0.049 0.000 0.750 265 E HN 0.265 nan 8.360 nan 0.000 0.452 266 D N 0.961 121.418 120.400 0.095 0.000 2.092 266 D HA -0.152 4.492 4.640 0.006 0.000 0.193 266 D C 2.149 178.568 176.300 0.197 0.000 0.994 266 D CA 0.928 55.007 54.000 0.131 0.000 0.828 266 D CB -0.248 40.621 40.800 0.115 0.000 0.963 266 D HN 0.133 nan 8.370 nan 0.000 0.450 267 L N 0.684 122.024 121.223 0.195 0.000 2.046 267 L HA -0.149 4.195 4.340 0.006 0.000 0.208 267 L C 2.494 179.579 176.870 0.360 0.000 1.077 267 L CA 1.203 56.234 54.840 0.319 0.000 0.747 267 L CB -0.338 41.830 42.059 0.182 0.000 0.896 267 L HN -0.030 nan 8.230 nan 0.000 0.432 268 A N -0.468 122.480 122.820 0.213 0.000 2.066 268 A HA 0.016 4.340 4.320 0.006 0.000 0.218 268 A C 2.329 179.981 177.584 0.114 0.000 1.157 268 A CA 1.388 53.523 52.037 0.163 0.000 0.670 268 A CB -0.449 18.615 19.000 0.107 0.000 0.804 268 A HN 0.385 nan 8.150 nan 0.000 0.453 269 A N -2.037 120.855 122.820 0.119 0.000 2.195 269 A HA 0.306 4.630 4.320 0.006 0.000 0.210 269 A C 0.764 178.370 177.584 0.038 0.000 1.165 269 A CA -0.243 51.834 52.037 0.067 0.000 0.806 269 A CB -0.410 18.632 19.000 0.070 0.000 0.847 269 A HN 0.499 nan 8.150 nan 0.000 0.482 270 Y N 2.019 122.321 120.300 0.005 0.000 2.578 270 Y HA 0.330 4.884 4.550 0.007 0.000 0.339 270 Y C 0.404 176.205 175.900 -0.166 0.000 1.231 270 Y CA 0.540 58.610 58.100 -0.049 0.000 1.461 270 Y CB 0.494 38.950 38.460 -0.007 0.000 1.323 270 Y HN 0.373 nan 8.280 nan 0.000 0.590 271 K N 3.855 123.524 120.400 -1.219 0.000 2.557 271 K HA 0.798 5.122 4.320 0.006 0.000 0.257 271 K C -1.927 174.225 176.600 -0.748 0.000 0.933 271 K CA -0.920 54.945 56.287 -0.703 0.000 0.820 271 K CB 1.212 33.503 32.500 -0.348 0.000 1.330 271 K HN 0.663 nan 8.250 nan 0.000 0.432 272 A N 1.998 124.660 122.820 -0.262 0.000 2.322 272 A HA 0.623 4.946 4.320 0.006 0.000 0.269 272 A C -0.536 177.021 177.584 -0.044 0.000 1.094 272 A CA -0.625 51.395 52.037 -0.028 0.000 0.807 272 A CB 0.835 19.901 19.000 0.110 0.000 1.047 272 A HN 0.447 nan 8.150 nan 0.000 0.487 273 V N 1.669 121.598 119.914 0.025 0.000 2.577 273 V HA 0.304 4.428 4.120 0.006 0.000 0.303 273 V C -0.104 176.039 176.094 0.081 0.000 1.042 273 V CA -0.608 61.708 62.300 0.028 0.000 0.872 273 V CB 1.504 33.331 31.823 0.007 0.000 0.998 273 V HN 1.040 nan 8.190 nan 0.000 0.423 274 E N 5.068 125.315 120.200 0.078 0.000 2.259 274 E HA 0.501 4.855 4.350 0.006 0.000 0.281 274 E C -0.402 176.239 176.600 0.067 0.000 1.037 274 E CA -0.376 56.085 56.400 0.102 0.000 0.854 274 E CB 0.766 30.539 29.700 0.121 0.000 1.051 274 E HN 0.597 nan 8.360 nan 0.000 0.409 275 R N 2.337 122.873 120.500 0.061 0.000 2.867 275 R HA 0.353 4.697 4.340 0.006 0.000 0.268 275 R C -0.812 175.482 176.300 -0.010 0.000 1.014 275 R CA -0.955 55.155 56.100 0.017 0.000 0.946 275 R CB 1.910 32.215 30.300 0.009 0.000 1.208 275 R HN 0.440 nan 8.270 nan 0.000 0.477 276 T N 3.686 118.208 114.554 -0.054 0.000 2.870 276 T HA 0.160 4.513 4.350 0.006 0.000 0.300 276 T C -2.216 172.422 174.700 -0.103 0.000 0.989 276 T CA -0.964 61.093 62.100 -0.072 0.000 1.139 276 T CB 0.685 69.487 68.868 -0.110 0.000 0.920 276 T HN 0.225 nan 8.240 nan 0.000 0.537 277 P HA 0.195 nan 4.420 nan 0.000 0.270 277 P C -0.332 176.917 177.300 -0.085 0.000 1.223 277 P CA -0.550 62.537 63.100 -0.022 0.000 0.785 277 P CB 0.447 32.214 31.700 0.111 0.000 0.923 278 I N 1.466 121.965 120.570 -0.118 0.000 2.396 278 I HA 0.302 4.476 4.170 0.006 0.000 0.292 278 I C 0.722 176.772 176.117 -0.112 0.000 0.999 278 I CA 0.365 61.569 61.300 -0.161 0.000 1.310 278 I CB 0.741 38.639 38.000 -0.168 0.000 1.404 278 I HN 0.478 nan 8.210 nan 0.000 0.496 279 S N 4.054 119.670 115.700 -0.140 0.000 2.638 279 S HA 0.968 5.442 4.470 0.006 0.000 0.274 279 S C -0.529 173.961 174.600 -0.184 0.000 1.157 279 S CA -0.612 57.416 58.200 -0.286 0.000 0.826 279 S CB 2.397 65.186 63.200 -0.685 0.000 1.139 279 S HN 0.865 nan 8.310 nan 0.000 0.474 280 G N -0.356 108.314 108.800 -0.217 0.000 2.721 280 G HA2 0.598 4.562 3.960 0.006 0.000 0.296 280 G HA3 0.598 4.562 3.960 0.006 0.000 0.296 280 G C -2.302 172.558 174.900 -0.066 0.000 1.383 280 G CA -0.483 44.564 45.100 -0.088 0.000 0.788 280 G HN 0.744 nan 8.290 nan 0.000 0.500 281 D N -0.807 119.607 120.400 0.023 0.000 2.593 281 D HA 0.427 5.071 4.640 0.006 0.000 0.251 281 D C -1.841 174.561 176.300 0.170 0.000 1.140 281 D CA -0.413 53.631 54.000 0.073 0.000 0.855 281 D CB 2.118 42.944 40.800 0.043 0.000 1.267 281 D HN 0.220 nan 8.370 nan 0.000 0.532 282 Y N 4.496 124.836 120.300 0.068 0.000 2.376 282 Y HA 0.282 4.836 4.550 0.006 0.000 0.326 282 Y C 0.423 176.417 175.900 0.158 0.000 0.970 282 Y CA -0.649 57.498 58.100 0.078 0.000 1.248 282 Y CB 0.517 39.004 38.460 0.045 0.000 1.117 282 Y HN 0.530 nan 8.280 nan 0.000 0.476 283 R N 3.927 124.314 120.500 -0.188 0.000 3.516 283 R HA -0.248 4.096 4.340 0.006 0.000 0.271 283 R C 1.008 177.351 176.300 0.073 0.000 1.098 283 R CA 1.061 57.085 56.100 -0.126 0.000 0.732 283 R CB -1.926 28.207 30.300 -0.278 0.000 1.152 283 R HN 1.333 nan 8.270 nan 0.000 0.455 284 G N -1.884 106.950 108.800 0.057 0.000 2.175 284 G HA2 -0.353 3.611 3.960 0.006 0.000 0.244 284 G HA3 -0.353 3.611 3.960 0.006 0.000 0.244 284 G C -0.101 174.760 174.900 -0.063 0.000 0.982 284 G CA 0.286 45.374 45.100 -0.020 0.000 0.641 284 G HN 0.391 nan 8.290 nan 0.000 0.527 285 Y N 0.583 120.907 120.300 0.040 0.000 2.342 285 Y HA 0.653 5.208 4.550 0.007 0.000 0.334 285 Y C 0.538 176.479 175.900 0.068 0.000 1.067 285 Y CA -0.792 57.352 58.100 0.073 0.000 1.128 285 Y CB 1.523 40.050 38.460 0.112 0.000 1.200 285 Y HN 0.096 nan 8.280 nan 0.000 0.464 286 Q N 1.909 121.823 119.800 0.190 0.000 2.290 286 Q HA 0.533 4.876 4.340 0.006 0.000 0.259 286 Q C -1.180 174.843 176.000 0.038 0.000 0.941 286 Q CA -0.581 55.257 55.803 0.059 0.000 0.912 286 Q CB 1.801 30.571 28.738 0.053 0.000 1.244 286 Q HN 0.423 nan 8.270 nan 0.000 0.441 287 V N 3.766 123.611 119.914 -0.116 0.000 2.417 287 V HA 0.432 4.556 4.120 0.006 0.000 0.291 287 V C -1.068 174.865 176.094 -0.268 0.000 1.024 287 V CA -0.759 61.495 62.300 -0.077 0.000 0.861 287 V CB 0.489 32.287 31.823 -0.041 0.000 0.985 287 V HN 0.654 nan 8.190 nan 0.000 0.436 288 Y N 2.648 122.952 120.300 0.005 0.000 2.364 288 Y HA 0.730 5.282 4.550 0.004 0.000 0.340 288 Y C 0.496 176.372 175.900 -0.039 0.000 0.975 288 Y CA -0.068 58.020 58.100 -0.019 0.000 1.089 288 Y CB 2.330 40.780 38.460 -0.017 0.000 1.192 288 Y HN 0.667 nan 8.280 nan 0.000 0.454 289 S N 1.735 117.473 115.700 0.063 0.000 2.843 289 S HA 0.583 5.056 4.470 0.006 0.000 0.301 289 S C -1.298 173.258 174.600 -0.073 0.000 1.206 289 S CA -0.857 57.336 58.200 -0.013 0.000 0.875 289 S CB 0.782 63.949 63.200 -0.055 0.000 1.248 289 S HN 0.465 nan 8.310 nan 0.000 0.555 290 M N 3.327 122.831 119.600 -0.160 0.000 2.228 290 M HA 0.359 4.843 4.480 0.006 0.000 0.351 290 M C -2.192 173.939 176.300 -0.282 0.000 1.233 290 M CA -2.190 52.946 55.300 -0.273 0.000 1.129 290 M CB 0.090 32.355 32.600 -0.560 0.000 1.604 290 M HN 0.460 nan 8.290 nan 0.000 0.457 291 P HA 0.481 nan 4.420 nan 0.000 0.284 291 P C -2.827 174.348 177.300 -0.209 0.000 1.287 291 P CA -1.953 61.008 63.100 -0.232 0.000 0.824 291 P CB -0.115 31.448 31.700 -0.229 0.000 1.180 292 P HA 0.030 nan 4.420 nan 0.000 0.266 292 P C -1.527 175.774 177.300 0.003 0.000 1.193 292 P CA -0.646 62.417 63.100 -0.060 0.000 0.770 292 P CB -0.740 30.953 31.700 -0.011 0.000 0.836 293 P HA -0.080 nan 4.420 nan 0.000 0.242 293 P C 0.151 177.486 177.300 0.057 0.000 1.198 293 P CA 0.969 64.142 63.100 0.120 0.000 0.756 293 P CB 0.312 32.136 31.700 0.208 0.000 0.911 294 S N 0.041 115.639 115.700 -0.170 0.000 2.565 294 S HA 0.357 4.831 4.470 0.006 0.000 0.290 294 S C 1.247 175.729 174.600 -0.197 0.000 1.150 294 S CA -0.314 57.700 58.200 -0.310 0.000 1.058 294 S CB 0.971 63.674 63.200 -0.827 0.000 1.032 294 S HN 0.096 nan 8.310 nan 0.000 0.510 295 S N 2.876 118.502 115.700 -0.122 0.000 2.524 295 S HA 0.201 4.674 4.470 0.006 0.000 0.215 295 S C 1.788 176.311 174.600 -0.128 0.000 0.986 295 S CA 0.297 58.440 58.200 -0.096 0.000 0.911 295 S CB -0.320 62.931 63.200 0.085 0.000 0.805 295 S HN 0.832 nan 8.310 nan 0.000 0.501 296 G N 2.396 111.113 108.800 -0.139 0.000 2.545 296 G HA2 -0.032 3.932 3.960 0.006 0.000 0.217 296 G HA3 -0.032 3.932 3.960 0.006 0.000 0.217 296 G C 1.429 176.250 174.900 -0.131 0.000 1.218 296 G CA 0.770 45.799 45.100 -0.118 0.000 0.787 296 G HN 0.620 nan 8.290 nan 0.000 0.571 297 G N 0.910 109.608 108.800 -0.169 0.000 2.446 297 G HA2 -0.210 3.754 3.960 0.006 0.000 0.217 297 G HA3 -0.210 3.754 3.960 0.006 0.000 0.217 297 G C 1.704 176.520 174.900 -0.141 0.000 1.168 297 G CA 1.011 46.026 45.100 -0.142 0.000 0.771 297 G HN 0.312 nan 8.290 nan 0.000 0.551 298 I N 0.928 121.378 120.570 -0.200 0.000 2.163 298 I HA -0.132 4.041 4.170 0.006 0.000 0.243 298 I C 2.439 178.414 176.117 -0.237 0.000 1.085 298 I CA 1.286 62.449 61.300 -0.228 0.000 1.347 298 I CB -1.209 36.590 38.000 -0.335 0.000 1.044 298 I HN 0.244 nan 8.210 nan 0.000 0.408 299 H N -0.087 118.939 119.070 -0.072 0.000 2.470 299 H HA 0.095 4.656 4.556 0.007 0.000 0.289 299 H C 2.435 177.703 175.328 -0.100 0.000 1.033 299 H CA 0.796 56.782 56.048 -0.104 0.000 1.331 299 H CB 0.074 29.708 29.762 -0.213 0.000 1.414 299 H HN 0.316 nan 8.280 nan 0.000 0.545 300 I N -0.012 120.551 120.570 -0.012 0.000 2.252 300 I HA -0.203 3.971 4.170 0.006 0.000 0.245 300 I C 2.370 178.449 176.117 -0.063 0.000 1.102 300 I CA 0.653 61.925 61.300 -0.047 0.000 1.385 300 I CB -0.091 37.871 38.000 -0.064 0.000 1.064 300 I HN -0.008 nan 8.210 nan 0.000 0.414 301 V N 0.504 120.384 119.914 -0.056 0.000 2.358 301 V HA -0.311 3.812 4.120 0.006 0.000 0.246 301 V C 2.458 178.545 176.094 -0.013 0.000 1.047 301 V CA 2.021 64.295 62.300 -0.043 0.000 1.035 301 V CB -0.702 31.101 31.823 -0.035 0.000 0.658 301 V HN 0.520 nan 8.190 nan 0.000 0.452 302 Q N -0.269 119.537 119.800 0.010 0.000 2.030 302 Q HA -0.224 4.120 4.340 0.006 0.000 0.204 302 Q C 2.289 178.296 176.000 0.013 0.000 0.986 302 Q CA 2.122 57.948 55.803 0.037 0.000 0.843 302 Q CB -0.101 28.704 28.738 0.112 0.000 0.904 302 Q HN 0.490 nan 8.270 nan 0.000 0.420 303 I N 0.922 121.498 120.570 0.010 0.000 2.226 303 I HA -0.265 3.909 4.170 0.006 0.000 0.245 303 I C 2.409 178.508 176.117 -0.030 0.000 1.100 303 I CA 1.129 62.426 61.300 -0.005 0.000 1.374 303 I CB -1.125 36.868 38.000 -0.012 0.000 1.057 303 I HN 0.364 nan 8.210 nan 0.000 0.413 304 L N 0.504 121.669 121.223 -0.096 0.000 2.083 304 L HA -0.233 4.111 4.340 0.006 0.000 0.209 304 L C 2.318 179.239 176.870 0.085 0.000 1.083 304 L CA 1.154 55.874 54.840 -0.200 0.000 0.752 304 L CB -0.649 41.182 42.059 -0.380 0.000 0.899 304 L HN 0.286 nan 8.230 nan 0.000 0.433 305 N N 0.337 119.080 118.700 0.072 0.000 2.104 305 N HA -0.164 4.580 4.740 0.006 0.000 0.190 305 N C 1.847 177.409 175.510 0.087 0.000 1.024 305 N CA 1.415 54.520 53.050 0.092 0.000 0.853 305 N CB -0.238 38.265 38.487 0.027 0.000 1.008 305 N HN 0.326 nan 8.380 nan 0.000 0.424 306 I N 0.897 121.504 120.570 0.061 0.000 2.163 306 I HA -0.218 3.956 4.170 0.006 0.000 0.240 306 I C 1.998 178.272 176.117 0.262 0.000 1.081 306 I CA 0.830 62.185 61.300 0.091 0.000 1.353 306 I CB -0.290 37.739 38.000 0.048 0.000 1.054 306 I HN 0.049 nan 8.210 nan 0.000 0.407 307 L N 0.369 121.751 121.223 0.265 0.000 2.191 307 L HA -0.216 4.128 4.340 0.006 0.000 0.212 307 L C 2.478 179.631 176.870 0.471 0.000 1.103 307 L CA 1.236 56.311 54.840 0.392 0.000 0.769 307 L CB -0.723 41.482 42.059 0.243 0.000 0.908 307 L HN 0.363 nan 8.230 nan 0.000 0.438 308 E N 0.642 121.086 120.200 0.407 0.000 2.267 308 E HA -0.211 4.143 4.350 0.006 0.000 0.197 308 E C 1.537 178.180 176.600 0.070 0.000 0.998 308 E CA 0.783 57.309 56.400 0.210 0.000 0.830 308 E CB 0.121 29.907 29.700 0.144 0.000 0.751 308 E HN 0.510 nan 8.360 nan 0.000 0.491 309 N N -0.357 118.364 118.700 0.035 0.000 2.521 309 N HA -0.019 4.725 4.740 0.006 0.000 0.188 309 N C -0.630 174.622 175.510 -0.430 0.000 1.146 309 N CA 0.572 53.480 53.050 -0.235 0.000 0.893 309 N CB 0.256 38.511 38.487 -0.387 0.000 0.975 309 N HN 0.036 nan 8.380 nan 0.000 0.451 310 F N 0.009 120.006 119.950 0.078 0.000 2.538 310 F HA 0.213 4.743 4.527 0.006 0.000 0.325 310 F C 0.691 176.541 175.800 0.083 0.000 1.066 310 F CA -1.287 56.791 58.000 0.131 0.000 0.946 310 F CB 1.200 40.338 39.000 0.230 0.000 1.199 310 F HN -0.271 nan 8.300 nan 0.000 0.473 311 D N 2.831 123.335 120.400 0.172 0.000 2.619 311 D HA 0.095 4.739 4.640 0.006 0.000 0.224 311 D C 1.220 177.472 176.300 -0.080 0.000 1.133 311 D CA 0.111 54.086 54.000 -0.043 0.000 1.017 311 D CB 0.262 40.946 40.800 -0.193 0.000 1.077 311 D HN 0.329 nan 8.370 nan 0.000 0.503 312 M N 1.318 121.014 119.600 0.159 0.000 2.106 312 M HA -0.194 4.289 4.480 0.006 0.000 0.259 312 M C 1.946 178.320 176.300 0.123 0.000 1.068 312 M CA 1.312 56.758 55.300 0.244 0.000 1.100 312 M CB -0.826 31.924 32.600 0.249 0.000 1.351 312 M HN 0.317 nan 8.290 nan 0.000 0.404 313 K N 0.564 120.995 120.400 0.052 0.000 2.103 313 K HA -0.220 4.103 4.320 0.006 0.000 0.207 313 K C 2.135 178.730 176.600 -0.009 0.000 1.048 313 K CA 1.631 57.938 56.287 0.034 0.000 0.930 313 K CB -0.083 32.425 32.500 0.014 0.000 0.716 313 K HN 0.255 nan 8.250 nan 0.000 0.444 314 K N -0.384 119.945 120.400 -0.118 0.000 2.057 314 K HA -0.189 4.134 4.320 0.006 0.000 0.207 314 K C 1.906 178.425 176.600 -0.135 0.000 1.049 314 K CA 1.603 57.778 56.287 -0.188 0.000 0.931 314 K CB -0.181 32.105 32.500 -0.356 0.000 0.714 314 K HN 0.144 nan 8.250 nan 0.000 0.440 315 Y N 0.089 120.413 120.300 0.041 0.000 2.163 315 Y HA 0.069 4.623 4.550 0.006 0.000 0.288 315 Y C 1.426 177.340 175.900 0.025 0.000 1.136 315 Y CA 1.071 59.185 58.100 0.024 0.000 1.147 315 Y CB -0.723 37.742 38.460 0.007 0.000 0.987 315 Y HN 0.370 nan 8.280 nan 0.000 0.509 316 G N -0.322 108.592 108.800 0.190 0.000 2.712 316 G HA2 -0.257 3.706 3.960 0.006 0.000 0.686 316 G HA3 -0.257 3.706 3.960 0.006 0.000 0.686 316 G C -0.599 174.389 174.900 0.146 0.000 1.321 316 G CA -0.611 44.582 45.100 0.155 0.000 0.813 316 G HN 0.289 nan 8.290 nan 0.000 0.599 317 F N 1.799 121.780 119.950 0.052 0.000 2.563 317 F HA 0.405 4.936 4.527 0.006 0.000 0.363 317 F C 1.678 177.494 175.800 0.026 0.000 1.123 317 F CA 1.890 59.909 58.000 0.033 0.000 1.307 317 F CB 0.774 39.787 39.000 0.022 0.000 1.115 317 F HN 2.230 nan 8.300 nan 0.000 0.592 318 G N 3.179 111.458 108.800 -0.868 0.000 2.166 318 G HA2 -0.279 3.685 3.960 0.006 0.000 0.260 318 G HA3 -0.279 3.685 3.960 0.006 0.000 0.260 318 G C 0.048 174.842 174.900 -0.176 0.000 0.986 318 G CA 0.411 45.238 45.100 -0.454 0.000 0.683 318 G HN 1.194 nan 8.290 nan 0.000 0.527 319 S N -0.836 114.779 115.700 -0.143 0.000 2.585 319 S HA 0.785 5.259 4.470 0.006 0.000 0.277 319 S C 1.564 176.091 174.600 -0.122 0.000 1.241 319 S CA 0.387 58.544 58.200 -0.070 0.000 1.041 319 S CB 2.029 65.233 63.200 0.007 0.000 0.987 319 S HN 1.571 nan 8.310 nan 0.000 0.512 320 A N 1.722 124.482 122.820 -0.100 0.000 1.933 320 A HA -0.092 4.232 4.320 0.006 0.000 0.218 320 A C 1.728 179.201 177.584 -0.183 0.000 1.175 320 A CA 1.665 53.628 52.037 -0.124 0.000 0.628 320 A CB -0.930 18.016 19.000 -0.089 0.000 0.814 320 A HN 0.870 nan 8.150 nan 0.000 0.444 321 D N 0.121 120.390 120.400 -0.219 0.000 2.097 321 D HA -0.055 4.589 4.640 0.006 0.000 0.195 321 D C 2.273 178.256 176.300 -0.529 0.000 0.989 321 D CA 1.596 55.341 54.000 -0.426 0.000 0.827 321 D CB -0.484 39.958 40.800 -0.596 0.000 0.966 321 D HN 0.414 nan 8.370 nan 0.000 0.456 322 A N 0.612 123.215 122.820 -0.362 0.000 1.902 322 A HA -0.153 4.170 4.320 0.006 0.000 0.217 322 A C 2.275 179.714 177.584 -0.242 0.000 1.181 322 A CA 1.392 53.281 52.037 -0.247 0.000 0.623 322 A CB -0.544 18.408 19.000 -0.080 0.000 0.818 322 A HN 0.159 nan 8.150 nan 0.000 0.443 323 M N -1.300 118.161 119.600 -0.232 0.000 2.175 323 M HA -0.173 4.311 4.480 0.006 0.000 0.264 323 M C 2.411 178.595 176.300 -0.194 0.000 1.063 323 M CA 1.883 57.059 55.300 -0.205 0.000 1.119 323 M CB -0.273 32.210 32.600 -0.195 0.000 1.377 323 M HN 0.583 nan 8.290 nan 0.000 0.415 324 Q N 1.461 121.131 119.800 -0.218 0.000 2.020 324 Q HA -0.130 4.214 4.340 0.006 0.000 0.202 324 Q C 1.639 177.499 176.000 -0.234 0.000 0.982 324 Q CA 1.950 57.631 55.803 -0.203 0.000 0.838 324 Q CB -0.422 28.190 28.738 -0.211 0.000 0.899 324 Q HN 0.555 nan 8.270 nan 0.000 0.423 325 I N -0.258 120.104 120.570 -0.345 0.000 2.163 325 I HA -0.308 3.866 4.170 0.006 0.000 0.243 325 I C 2.447 178.388 176.117 -0.294 0.000 1.085 325 I CA 1.461 62.486 61.300 -0.458 0.000 1.347 325 I CB -0.296 37.258 38.000 -0.744 0.000 1.044 325 I HN 0.332 nan 8.210 nan 0.000 0.408 326 M N 0.074 119.544 119.600 -0.216 0.000 2.175 326 M HA -0.150 4.334 4.480 0.006 0.000 0.264 326 M C 2.545 178.795 176.300 -0.082 0.000 1.063 326 M CA 1.800 57.025 55.300 -0.125 0.000 1.119 326 M CB -0.426 32.110 32.600 -0.106 0.000 1.377 326 M HN 0.318 nan 8.290 nan 0.000 0.415 327 A N 0.248 123.007 122.820 -0.101 0.000 1.902 327 A HA -0.156 4.167 4.320 0.006 0.000 0.217 327 A C 2.025 179.576 177.584 -0.054 0.000 1.181 327 A CA 1.508 53.498 52.037 -0.079 0.000 0.623 327 A CB -0.502 18.439 19.000 -0.098 0.000 0.818 327 A HN 0.378 nan 8.150 nan 0.000 0.443 328 E N 0.003 120.171 120.200 -0.053 0.000 2.051 328 E HA -0.127 4.227 4.350 0.006 0.000 0.192 328 E C 2.391 179.076 176.600 0.142 0.000 0.991 328 E CA 1.272 57.681 56.400 0.015 0.000 0.799 328 E CB -0.753 28.968 29.700 0.035 0.000 0.748 328 E HN 0.560 nan 8.360 nan 0.000 0.449 329 A N 1.501 124.383 122.820 0.103 0.000 1.908 329 A HA -0.240 4.083 4.320 0.006 0.000 0.218 329 A C 2.067 179.751 177.584 0.167 0.000 1.181 329 A CA 1.806 53.938 52.037 0.158 0.000 0.627 329 A CB -0.569 18.458 19.000 0.045 0.000 0.818 329 A HN 0.238 nan 8.150 nan 0.000 0.445 330 E N -0.225 120.034 120.200 0.099 0.000 2.118 330 E HA -0.205 4.149 4.350 0.006 0.000 0.195 330 E C 2.035 178.742 176.600 0.178 0.000 0.992 330 E CA 1.416 57.903 56.400 0.146 0.000 0.804 330 E CB -0.136 29.645 29.700 0.135 0.000 0.741 330 E HN 0.614 nan 8.360 nan 0.000 0.458 331 K N 0.014 120.437 120.400 0.037 0.000 2.009 331 K HA -0.197 4.127 4.320 0.006 0.000 0.210 331 K C 1.996 178.537 176.600 -0.099 0.000 1.049 331 K CA 1.671 57.900 56.287 -0.097 0.000 0.929 331 K CB -0.285 32.031 32.500 -0.308 0.000 0.714 331 K HN 0.184 nan 8.250 nan 0.000 0.440 332 Y N 0.538 120.858 120.300 0.035 0.000 2.224 332 Y HA -0.211 4.343 4.550 0.007 0.000 0.289 332 Y C 2.447 178.368 175.900 0.036 0.000 1.146 332 Y CA 1.126 59.247 58.100 0.036 0.000 1.182 332 Y CB -0.528 37.931 38.460 -0.001 0.000 0.983 332 Y HN 0.119 nan 8.280 nan 0.000 0.524 333 A N -0.702 122.196 122.820 0.130 0.000 1.873 333 A HA -0.198 4.126 4.320 0.006 0.000 0.215 333 A C 1.841 179.194 177.584 -0.384 0.000 1.186 333 A CA 1.529 53.518 52.037 -0.081 0.000 0.616 333 A CB -1.221 17.686 19.000 -0.154 0.000 0.823 333 A HN 0.517 nan 8.150 nan 0.000 0.442 334 Y N -0.119 120.046 120.300 -0.224 0.000 2.352 334 Y HA -0.013 4.541 4.550 0.007 0.000 0.292 334 Y C 2.818 178.639 175.900 -0.132 0.000 1.136 334 Y CA 0.760 58.722 58.100 -0.229 0.000 1.227 334 Y CB -0.294 38.072 38.460 -0.156 0.000 0.991 334 Y HN 0.346 nan 8.280 nan 0.000 0.545 335 A N 0.032 122.887 122.820 0.059 0.000 1.873 335 A HA -0.173 4.151 4.320 0.006 0.000 0.215 335 A C 1.857 179.478 177.584 0.063 0.000 1.186 335 A CA 1.967 54.032 52.037 0.047 0.000 0.616 335 A CB -0.620 18.407 19.000 0.045 0.000 0.823 335 A HN 0.303 nan 8.150 nan 0.000 0.442 336 D N -0.748 119.735 120.400 0.138 0.000 2.144 336 D HA -0.144 4.500 4.640 0.006 0.000 0.199 336 D C 2.041 178.480 176.300 0.231 0.000 0.984 336 D CA 1.169 55.343 54.000 0.290 0.000 0.834 336 D CB -0.361 40.722 40.800 0.472 0.000 0.955 336 D HN 0.499 nan 8.370 nan 0.000 0.465 337 R N 0.828 121.373 120.500 0.075 0.000 2.103 337 R HA -0.154 4.189 4.340 0.006 0.000 0.242 337 R C 2.103 178.455 176.300 0.088 0.000 1.142 337 R CA 1.815 57.994 56.100 0.131 0.000 0.960 337 R CB -0.135 30.058 30.300 -0.179 0.000 0.858 337 R HN 0.217 nan 8.270 nan 0.000 0.439 338 S N -0.739 114.976 115.700 0.024 0.000 2.474 338 S HA -0.128 4.346 4.470 0.006 0.000 0.235 338 S C 1.630 176.192 174.600 -0.063 0.000 0.997 338 S CA 1.361 59.559 58.200 -0.003 0.000 0.949 338 S CB 0.193 63.388 63.200 -0.008 0.000 0.766 338 S HN 0.484 nan 8.310 nan 0.000 0.517 339 E N -0.052 120.051 120.200 -0.160 0.000 2.332 339 E HA 0.205 4.558 4.350 0.006 0.000 0.202 339 E C 0.832 177.223 176.600 -0.347 0.000 0.877 339 E CA 0.310 56.496 56.400 -0.356 0.000 0.979 339 E CB -0.185 29.100 29.700 -0.691 0.000 0.969 339 E HN 0.595 nan 8.360 nan 0.000 0.495 340 Y N -0.022 120.330 120.300 0.087 0.000 2.458 340 Y HA 0.357 4.912 4.550 0.007 0.000 0.254 340 Y C 0.274 176.225 175.900 0.084 0.000 1.120 340 Y CA -0.262 57.886 58.100 0.081 0.000 1.282 340 Y CB 0.608 39.115 38.460 0.079 0.000 1.109 340 Y HN -0.022 nan 8.280 nan 0.000 0.526 341 L N 0.462 121.809 121.223 0.205 0.000 2.307 341 L HA 0.705 5.049 4.340 0.006 0.000 0.282 341 L C 0.478 177.414 176.870 0.109 0.000 1.051 341 L CA 0.092 55.024 54.840 0.153 0.000 0.804 341 L CB 0.887 43.040 42.059 0.157 0.000 1.197 341 L HN 0.298 nan 8.230 nan 0.000 0.431 342 G N 2.023 110.883 108.800 0.100 0.000 2.430 342 G HA2 0.099 4.062 3.960 0.006 0.000 0.300 342 G HA3 0.099 4.062 3.960 0.006 0.000 0.300 342 G C -1.536 173.421 174.900 0.094 0.000 1.330 342 G CA -0.603 44.547 45.100 0.083 0.000 0.813 342 G HN 0.408 nan 8.290 nan 0.000 0.487 343 D N 1.098 121.550 120.400 0.087 0.000 2.412 343 D HA 0.161 4.804 4.640 0.006 0.000 0.257 343 D C -0.595 175.828 176.300 0.205 0.000 1.217 343 D CA -1.497 52.585 54.000 0.135 0.000 0.897 343 D CB 1.675 42.531 40.800 0.093 0.000 1.132 343 D HN 0.055 nan 8.370 nan 0.000 0.493 344 P HA -0.112 nan 4.420 nan 0.000 0.225 344 P C 0.304 177.693 177.300 0.148 0.000 1.148 344 P CA 0.664 63.850 63.100 0.142 0.000 0.779 344 P CB 0.471 32.224 31.700 0.088 0.000 0.780 345 D N -1.482 119.039 120.400 0.201 0.000 2.363 345 D HA 0.015 4.659 4.640 0.006 0.000 0.220 345 D C 1.160 177.434 176.300 -0.043 0.000 0.994 345 D CA 0.733 54.787 54.000 0.090 0.000 0.890 345 D CB -0.278 40.578 40.800 0.094 0.000 0.906 345 D HN 0.261 nan 8.370 nan 0.000 0.530 346 F N -0.502 119.472 119.950 0.040 0.000 2.711 346 F HA 0.204 4.735 4.527 0.006 0.000 0.296 346 F C 0.610 176.437 175.800 0.045 0.000 1.096 346 F CA -0.201 57.823 58.000 0.039 0.000 1.280 346 F CB 0.927 39.952 39.000 0.041 0.000 1.060 346 F HN -0.301 nan 8.300 nan 0.000 0.608 347 V N 0.414 120.469 119.914 0.234 0.000 2.971 347 V HA 0.379 4.503 4.120 0.006 0.000 0.309 347 V C -0.970 175.207 176.094 0.139 0.000 1.130 347 V CA -1.101 61.296 62.300 0.162 0.000 0.964 347 V CB 2.139 34.057 31.823 0.158 0.000 1.029 347 V HN 0.019 nan 8.190 nan 0.000 0.427 348 K N 4.224 124.694 120.400 0.117 0.000 2.316 348 K HA 0.528 4.852 4.320 0.006 0.000 0.289 348 K C -1.065 175.616 176.600 0.135 0.000 1.070 348 K CA -0.325 56.032 56.287 0.116 0.000 0.928 348 K CB 1.054 33.604 32.500 0.083 0.000 1.039 348 K HN 0.579 nan 8.250 nan 0.000 0.480 349 V N 7.674 127.691 119.914 0.171 0.000 2.383 349 V HA 0.213 4.337 4.120 0.006 0.000 0.275 349 V C -1.718 174.474 176.094 0.163 0.000 1.036 349 V CA -1.583 60.828 62.300 0.185 0.000 0.889 349 V CB 1.241 33.186 31.823 0.203 0.000 0.985 349 V HN 0.827 nan 8.190 nan 0.000 0.459 350 P HA 0.021 nan 4.420 nan 0.000 0.225 350 P C 1.082 178.284 177.300 -0.164 0.000 1.768 350 P CA -0.237 62.766 63.100 -0.162 0.000 0.943 350 P CB -0.157 31.367 31.700 -0.292 0.000 1.936 351 W N 1.491 122.742 121.300 -0.082 0.000 2.374 351 W HA -0.166 4.495 4.660 0.003 0.000 0.288 351 W C 0.780 177.254 176.519 -0.075 0.000 1.218 351 W CA 0.537 57.833 57.345 -0.083 0.000 1.245 351 W CB -1.505 27.915 29.460 -0.067 0.000 1.126 351 W HN 0.099 nan 8.180 nan 0.000 0.545 352 Q N 1.632 120.862 119.800 -0.951 0.000 2.050 352 Q HA -0.083 4.261 4.340 0.006 0.000 0.202 352 Q C 2.842 178.636 176.000 -0.343 0.000 0.980 352 Q CA 2.912 58.230 55.803 -0.809 0.000 0.840 352 Q CB -1.015 27.123 28.738 -1.000 0.000 0.898 352 Q HN 0.316 nan 8.270 nan 0.000 0.424 353 A N 0.615 123.237 122.820 -0.330 0.000 1.877 353 A HA -0.150 4.174 4.320 0.006 0.000 0.216 353 A C 2.091 179.544 177.584 -0.218 0.000 1.186 353 A CA 1.243 53.129 52.037 -0.252 0.000 0.620 353 A CB -0.804 18.005 19.000 -0.319 0.000 0.822 353 A HN 0.337 nan 8.150 nan 0.000 0.443 354 L N -0.085 121.038 121.223 -0.167 0.000 2.191 354 L HA -0.125 4.219 4.340 0.006 0.000 0.212 354 L C 2.287 179.227 176.870 0.117 0.000 1.103 354 L CA 1.653 56.505 54.840 0.019 0.000 0.769 354 L CB -0.525 41.548 42.059 0.023 0.000 0.908 354 L HN 0.649 nan 8.230 nan 0.000 0.438 355 T N -4.535 110.053 114.554 0.056 0.000 3.145 355 T HA 0.061 4.414 4.350 0.006 0.000 0.255 355 T C 0.662 175.382 174.700 0.034 0.000 1.039 355 T CA -0.468 61.671 62.100 0.065 0.000 0.928 355 T CB -0.405 68.527 68.868 0.106 0.000 1.029 355 T HN 0.100 nan 8.240 nan 0.000 0.554 356 N N 1.900 120.606 118.700 0.011 0.000 2.470 356 N HA 0.127 4.871 4.740 0.006 0.000 0.268 356 N C 0.807 176.296 175.510 -0.034 0.000 1.136 356 N CA -0.071 52.967 53.050 -0.020 0.000 0.961 356 N CB 1.130 39.589 38.487 -0.047 0.000 1.067 356 N HN 0.290 nan 8.380 nan 0.000 0.468 357 K N 2.678 123.064 120.400 -0.024 0.000 2.211 357 K HA -0.083 4.241 4.320 0.006 0.000 0.203 357 K C 1.641 178.198 176.600 -0.072 0.000 1.050 357 K CA 1.247 57.512 56.287 -0.036 0.000 0.945 357 K CB 0.040 32.535 32.500 -0.010 0.000 0.732 357 K HN 0.635 nan 8.250 nan 0.000 0.451 358 A N 0.700 123.485 122.820 -0.057 0.000 1.930 358 A HA -0.191 4.133 4.320 0.006 0.000 0.217 358 A C 2.015 179.446 177.584 -0.254 0.000 1.175 358 A CA 1.114 53.132 52.037 -0.031 0.000 0.627 358 A CB -0.612 18.494 19.000 0.176 0.000 0.815 358 A HN 0.394 nan 8.150 nan 0.000 0.443 359 Y N 0.825 120.637 120.300 -0.813 0.000 2.200 359 Y HA -0.034 4.519 4.550 0.006 0.000 0.290 359 Y C 2.577 178.207 175.900 -0.449 0.000 1.137 359 Y CA 0.909 58.339 58.100 -1.117 0.000 1.163 359 Y CB -0.764 37.048 38.460 -1.081 0.000 0.988 359 Y HN 0.289 nan 8.280 nan 0.000 0.518 360 A N 0.266 122.841 122.820 -0.407 0.000 1.933 360 A HA -0.214 4.110 4.320 0.006 0.000 0.218 360 A C 2.199 179.619 177.584 -0.274 0.000 1.175 360 A CA 2.011 53.834 52.037 -0.357 0.000 0.628 360 A CB -0.682 18.222 19.000 -0.160 0.000 0.814 360 A HN 0.400 nan 8.150 nan 0.000 0.444 361 K N 1.046 121.326 120.400 -0.200 0.000 2.097 361 K HA -0.112 4.211 4.320 0.006 0.000 0.205 361 K C 2.163 178.676 176.600 -0.146 0.000 1.050 361 K CA 2.014 58.216 56.287 -0.142 0.000 0.938 361 K CB -0.510 31.938 32.500 -0.087 0.000 0.718 361 K HN 0.533 nan 8.250 nan 0.000 0.442 362 S N -0.012 115.593 115.700 -0.158 0.000 2.419 362 S HA -0.086 4.388 4.470 0.006 0.000 0.233 362 S C 1.820 176.297 174.600 -0.206 0.000 1.016 362 S CA 0.952 59.092 58.200 -0.100 0.000 0.974 362 S CB -0.348 62.873 63.200 0.035 0.000 0.786 362 S HN 0.200 nan 8.310 nan 0.000 0.492 363 I N 2.486 122.835 120.570 -0.369 0.000 2.400 363 I HA 0.133 4.307 4.170 0.006 0.000 0.248 363 I C 3.047 178.967 176.117 -0.328 0.000 1.109 363 I CA 0.833 61.817 61.300 -0.527 0.000 1.425 363 I CB -1.926 35.657 38.000 -0.696 0.000 1.094 363 I HN 0.407 nan 8.210 nan 0.000 0.425 364 A N 0.702 123.425 122.820 -0.162 0.000 1.940 364 A HA -0.219 4.105 4.320 0.006 0.000 0.219 364 A C 1.861 179.465 177.584 0.033 0.000 1.176 364 A CA 1.902 53.965 52.037 0.044 0.000 0.631 364 A CB -0.633 18.350 19.000 -0.028 0.000 0.814 364 A HN 0.363 nan 8.150 nan 0.000 0.446 365 D N -0.517 119.848 120.400 -0.060 0.000 2.310 365 D HA -0.093 4.551 4.640 0.006 0.000 0.212 365 D C 1.876 178.178 176.300 0.002 0.000 0.965 365 D CA 0.944 54.925 54.000 -0.032 0.000 0.879 365 D CB -0.200 40.575 40.800 -0.042 0.000 0.921 365 D HN 0.662 nan 8.370 nan 0.000 0.510 366 Q N -0.322 119.462 119.800 -0.027 0.000 2.398 366 Q HA 0.055 4.398 4.340 0.006 0.000 0.204 366 Q C 0.260 176.306 176.000 0.077 0.000 0.932 366 Q CA 0.073 55.881 55.803 0.007 0.000 0.916 366 Q CB 0.916 29.621 28.738 -0.056 0.000 1.024 366 Q HN 0.160 nan 8.270 nan 0.000 0.504 367 I N 2.212 122.844 120.570 0.103 0.000 2.452 367 I HA 0.027 4.201 4.170 0.006 0.000 0.287 367 I C 0.001 176.189 176.117 0.118 0.000 1.079 367 I CA -0.150 61.229 61.300 0.133 0.000 1.387 367 I CB 0.339 38.422 38.000 0.139 0.000 1.404 367 I HN -0.024 nan 8.210 nan 0.000 0.522 368 D N 6.633 127.074 120.400 0.069 0.000 2.373 368 D HA 0.141 4.785 4.640 0.006 0.000 0.227 368 D C 1.031 177.334 176.300 0.004 0.000 1.091 368 D CA -0.356 53.673 54.000 0.048 0.000 0.840 368 D CB 1.013 41.835 40.800 0.036 0.000 1.060 368 D HN 0.531 nan 8.370 nan 0.000 0.502 369 I N 3.575 124.146 120.570 0.001 0.000 2.850 369 I HA -0.187 3.986 4.170 0.006 0.000 0.266 369 I C 0.582 176.658 176.117 -0.068 0.000 1.257 369 I CA 0.793 62.050 61.300 -0.073 0.000 1.465 369 I CB 0.197 38.157 38.000 -0.067 0.000 1.091 369 I HN 0.264 nan 8.210 nan 0.000 0.467 370 N N 0.861 119.543 118.700 -0.030 0.000 2.184 370 N HA 0.136 4.879 4.740 0.006 0.000 0.206 370 N C -0.344 175.152 175.510 -0.024 0.000 1.151 370 N CA 0.162 53.195 53.050 -0.028 0.000 0.878 370 N CB 0.750 39.231 38.487 -0.009 0.000 1.014 370 N HN 0.256 nan 8.380 nan 0.000 0.512 371 K N 0.833 121.220 120.400 -0.021 0.000 2.656 371 K HA 0.443 4.767 4.320 0.006 0.000 0.253 371 K C -1.389 175.201 176.600 -0.017 0.000 1.002 371 K CA -0.381 55.896 56.287 -0.017 0.000 0.880 371 K CB 1.723 34.221 32.500 -0.003 0.000 1.232 371 K HN -0.056 nan 8.250 nan 0.000 0.456 372 A N 3.663 126.466 122.820 -0.030 0.000 2.425 372 A HA 0.195 4.519 4.320 0.006 0.000 0.249 372 A C -0.408 177.161 177.584 -0.024 0.000 1.084 372 A CA -0.090 51.926 52.037 -0.034 0.000 0.781 372 A CB 0.398 19.367 19.000 -0.052 0.000 1.019 372 A HN 0.705 nan 8.150 nan 0.000 0.490 373 K N 3.213 123.599 120.400 -0.024 0.000 2.253 373 K HA 0.405 4.729 4.320 0.006 0.000 0.277 373 K C -2.706 173.856 176.600 -0.063 0.000 1.053 373 K CA -1.858 54.415 56.287 -0.023 0.000 0.892 373 K CB 0.621 33.127 32.500 0.010 0.000 1.102 373 K HN 0.358 nan 8.250 nan 0.000 0.469 374 P HA -0.020 nan 4.420 nan 0.000 0.265 374 P C -0.068 177.182 177.300 -0.083 0.000 1.187 374 P CA 0.119 63.183 63.100 -0.061 0.000 0.766 374 P CB 0.806 32.482 31.700 -0.041 0.000 0.820 375 S N 1.174 116.817 115.700 -0.095 0.000 2.442 375 S HA -0.146 4.328 4.470 0.006 0.000 0.236 375 S C 1.791 176.344 174.600 -0.078 0.000 1.007 375 S CA 1.624 59.758 58.200 -0.110 0.000 0.965 375 S CB -0.719 62.419 63.200 -0.103 0.000 0.773 375 S HN 0.682 nan 8.310 nan 0.000 0.504 376 S N 1.506 117.173 115.700 -0.055 0.000 2.474 376 S HA -0.019 4.454 4.470 0.006 0.000 0.235 376 S C 1.132 175.717 174.600 -0.025 0.000 0.997 376 S CA 0.583 58.762 58.200 -0.036 0.000 0.949 376 S CB -0.279 62.904 63.200 -0.028 0.000 0.766 376 S HN 0.593 nan 8.310 nan 0.000 0.517 377 E N 0.270 120.452 120.200 -0.029 0.000 2.476 377 E HA 0.272 4.626 4.350 0.006 0.000 0.196 377 E C -0.610 175.989 176.600 -0.002 0.000 1.029 377 E CA -0.166 56.229 56.400 -0.007 0.000 0.896 377 E CB 0.366 30.067 29.700 0.001 0.000 1.012 377 E HN 0.438 nan 8.360 nan 0.000 0.475 378 I N 1.865 122.411 120.570 -0.041 0.000 2.406 378 I HA 0.341 4.514 4.170 0.006 0.000 0.290 378 I C 0.116 176.229 176.117 -0.008 0.000 0.999 378 I CA -0.601 60.668 61.300 -0.052 0.000 1.124 378 I CB 1.165 39.015 38.000 -0.248 0.000 1.289 378 I HN -0.100 nan 8.210 nan 0.000 0.441 379 R N 5.168 125.706 120.500 0.062 0.000 2.912 379 R HA 0.617 4.961 4.340 0.006 0.000 0.262 379 R C -2.549 173.829 176.300 0.130 0.000 1.057 379 R CA -2.262 53.879 56.100 0.069 0.000 0.981 379 R CB 0.581 30.921 30.300 0.067 0.000 1.201 379 R HN 0.220 nan 8.270 nan 0.000 0.484 380 P HA 0.044 nan 4.420 nan 0.000 0.266 380 P C 0.089 177.569 177.300 0.300 0.000 1.195 380 P CA 0.301 63.511 63.100 0.184 0.000 0.768 380 P CB 0.381 32.071 31.700 -0.016 0.000 0.838 381 G N 2.702 111.763 108.800 0.436 0.000 2.636 381 G HA2 0.138 4.101 3.960 0.006 0.000 0.246 381 G HA3 0.138 4.101 3.960 0.006 0.000 0.246 381 G C -0.390 174.684 174.900 0.291 0.000 1.216 381 G CA -0.500 44.850 45.100 0.416 0.000 0.854 381 G HN 0.287 nan 8.290 nan 0.000 0.572 382 K N 1.667 122.201 120.400 0.223 0.000 2.263 382 K HA 0.201 4.525 4.320 0.006 0.000 0.282 382 K C 1.098 177.714 176.600 0.027 0.000 1.089 382 K CA -0.257 56.104 56.287 0.124 0.000 0.907 382 K CB 1.274 33.841 32.500 0.112 0.000 1.148 382 K HN 0.366 nan 8.250 nan 0.000 0.470 383 L N 1.346 122.504 121.223 -0.109 0.000 2.418 383 L HA -0.031 4.313 4.340 0.006 0.000 0.218 383 L C 2.149 178.931 176.870 -0.147 0.000 1.125 383 L CA 0.368 55.073 54.840 -0.225 0.000 0.835 383 L CB -0.401 41.391 42.059 -0.445 0.000 0.953 383 L HN 0.590 nan 8.230 nan 0.000 0.454 384 A N 1.653 124.397 122.820 -0.126 0.000 1.896 384 A HA -0.199 4.125 4.320 0.006 0.000 0.220 384 A C -0.003 177.448 177.584 -0.221 0.000 1.206 384 A CA 2.117 54.070 52.037 -0.139 0.000 0.647 384 A CB -1.929 17.013 19.000 -0.097 0.000 0.828 384 A HN 0.304 nan 8.150 nan 0.000 0.455 385 P HA -0.085 nan 4.420 nan 0.000 0.228 385 P C 0.017 176.865 177.300 -0.753 0.000 1.151 385 P CA 0.984 63.726 63.100 -0.596 0.000 0.770 385 P CB -0.104 31.113 31.700 -0.805 0.000 0.786 386 Y N -1.882 118.341 120.300 -0.128 0.000 2.557 386 Y HA 0.203 4.756 4.550 0.005 0.000 0.247 386 Y C 1.196 176.988 175.900 -0.181 0.000 1.164 386 Y CA -0.614 57.402 58.100 -0.141 0.000 1.218 386 Y CB -0.231 38.130 38.460 -0.165 0.000 1.210 386 Y HN -0.138 nan 8.280 nan 0.000 0.529 387 E N 0.000 120.137 120.200 -0.106 0.000 2.725 387 E HA 0.000 4.354 4.350 0.006 0.000 0.291 387 E CA 0.000 56.318 56.400 -0.137 0.000 0.976 387 E CB 0.000 29.620 29.700 -0.133 0.000 0.812 387 E HN 0.000 nan 8.360 nan 0.000 0.440