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 1y3p_1_A DATA FIRST_RESID 1 DATA SEQUENCE REATWVTEKP LTLKIHMHFR DKWVWDENWP VAREVARLTN VKLVGVANRA DATA SEQUENCE ATNSQEQFNL MMASGQLPDI VGGDNLKDKF IRYGMEGAFI PLNKLIDQNA DATA SEQUENCE PNLKAFFKTH PEVQRAITAP DGNIYYLPYV PDGLVSRGYF IRQDWLDKLH DATA SEQUENCE LKTPQTVDEL YTVLKAFKEK DPNGNGKADE IPFINRDPEE VFRLVNFWGA DATA SEQUENCE RSTGSNTWMD FYVENGKIKH PFAEVAFKDG IKHVAQWYKE GLIDPEIFTR DATA SEQUENCE KARSREQTFG NNIGGMTHDW FASTALFNDA LSKNIPGFKL VPMAPPINSK DATA SEQUENCE GQRWEEDARQ IPRPDGWAIT ATNKNPVETI KLFDFYFGPK GRELSNFGVP DATA SEQUENCE GLTYDIKNGK PVYKDTVLKA AQPVNNQMYD IGAQIPIGFW QDYEYERQWT DATA SEQUENCE NDVALQGIDM YIKNKYVLPQ FTGVNLTVEE REIYDKYWPD VKTYMFEMGQ DATA SEQUENCE SWVMGTKDPE KTWNDYQQQL KNRGFYQVMI VMQKAYDRQY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 175.604 176.300 -1.161 0.000 0.893 1 R CA 0.000 55.151 56.100 -1.582 0.000 0.921 1 R CB 0.000 29.773 30.300 -0.878 0.000 0.687 2 E N 1.574 120.814 120.200 -1.600 0.000 2.340 2 E HA 0.470 5.059 4.350 0.398 0.000 0.273 2 E C 0.054 176.414 176.600 -0.400 0.000 0.891 2 E CA -0.378 55.609 56.400 -0.689 0.000 0.757 2 E CB 2.107 31.586 29.700 -0.367 0.000 1.231 2 E HN 0.629 nan 8.360 nan 0.000 0.439 3 A N 1.096 123.815 122.820 -0.169 0.000 2.070 3 A HA -0.133 4.426 4.320 0.398 0.000 0.220 3 A C 1.685 179.299 177.584 0.050 0.000 1.159 3 A CA 2.050 54.059 52.037 -0.047 0.000 0.656 3 A CB -0.611 18.378 19.000 -0.018 0.000 0.800 3 A HN 0.590 nan 8.150 nan 0.000 0.453 4 T N -5.041 109.561 114.554 0.079 0.000 3.113 4 T HA 0.016 4.604 4.350 0.398 0.000 0.256 4 T C 0.250 175.069 174.700 0.197 0.000 1.131 4 T CA -0.396 61.795 62.100 0.152 0.000 1.074 4 T CB -0.378 68.580 68.868 0.150 0.000 0.944 4 T HN 0.352 nan 8.240 nan 0.000 0.516 5 W N 2.762 124.038 121.300 -0.040 0.000 2.231 5 W HA 0.313 5.210 4.660 0.394 0.000 0.341 5 W C 1.402 177.903 176.519 -0.029 0.000 1.298 5 W CA -1.218 56.096 57.345 -0.052 0.000 1.266 5 W CB 0.368 29.809 29.460 -0.031 0.000 1.172 5 W HN 0.104 nan 8.180 nan 0.000 0.568 6 V N 0.362 120.332 119.914 0.093 0.000 3.578 6 V HA 0.297 4.656 4.120 0.398 0.000 0.290 6 V C 0.143 176.241 176.094 0.007 0.000 1.376 6 V CA 0.483 62.812 62.300 0.048 0.000 1.083 6 V CB 0.060 31.887 31.823 0.007 0.000 0.911 6 V HN 0.531 nan 8.190 nan 0.000 0.433 7 T N -0.830 113.706 114.554 -0.030 0.000 3.159 7 T HA 0.310 4.899 4.350 0.398 0.000 0.343 7 T C 0.199 174.840 174.700 -0.098 0.000 1.364 7 T CA -0.226 61.835 62.100 -0.065 0.000 1.102 7 T CB 2.063 70.852 68.868 -0.132 0.000 1.263 7 T HN 0.134 nan 8.240 nan 0.000 0.477 8 E N 2.136 122.352 120.200 0.026 0.000 2.015 8 E HA -0.011 4.578 4.350 0.398 0.000 0.191 8 E C 0.631 177.180 176.600 -0.085 0.000 0.991 8 E CA 1.224 57.699 56.400 0.124 0.000 0.802 8 E CB -0.120 29.677 29.700 0.162 0.000 0.759 8 E HN 0.688 nan 8.360 nan 0.000 0.447 9 K N 1.773 122.120 120.400 -0.088 0.000 2.298 9 K HA 0.238 4.797 4.320 0.398 0.000 0.280 9 K C -2.676 173.793 176.600 -0.218 0.000 1.032 9 K CA -1.903 54.316 56.287 -0.114 0.000 0.958 9 K CB 0.084 32.548 32.500 -0.061 0.000 0.978 9 K HN -0.258 nan 8.250 nan 0.000 0.472 10 P HA -0.050 nan 4.420 nan 0.000 0.264 10 P C -1.260 175.934 177.300 -0.177 0.000 1.183 10 P CA -0.177 62.768 63.100 -0.258 0.000 0.763 10 P CB 0.395 31.989 31.700 -0.176 0.000 0.807 11 L N 3.735 124.850 121.223 -0.181 0.000 2.409 11 L HA 0.532 5.111 4.340 0.398 0.000 0.272 11 L C -0.762 176.049 176.870 -0.098 0.000 0.980 11 L CA 0.091 54.854 54.840 -0.128 0.000 0.826 11 L CB 1.863 43.841 42.059 -0.135 0.000 1.268 11 L HN 0.206 nan 8.230 nan 0.000 0.407 12 T N 6.015 120.527 114.554 -0.069 0.000 2.807 12 T HA 0.743 5.331 4.350 0.398 0.000 0.279 12 T C -0.591 174.080 174.700 -0.048 0.000 0.993 12 T CA -0.307 61.766 62.100 -0.044 0.000 0.970 12 T CB 1.044 69.899 68.868 -0.022 0.000 0.950 12 T HN 0.470 nan 8.240 nan 0.000 0.441 13 L N 2.384 123.577 121.223 -0.050 0.000 2.354 13 L HA 0.589 5.167 4.340 0.398 0.000 0.264 13 L C -0.154 176.685 176.870 -0.052 0.000 1.008 13 L CA -1.227 53.575 54.840 -0.064 0.000 0.819 13 L CB 2.143 44.139 42.059 -0.104 0.000 1.339 13 L HN 0.359 nan 8.230 nan 0.000 0.420 14 K N 2.460 122.836 120.400 -0.039 0.000 2.201 14 K HA 0.600 5.159 4.320 0.398 0.000 0.278 14 K C -1.000 175.587 176.600 -0.021 0.000 1.027 14 K CA -0.323 55.955 56.287 -0.015 0.000 0.909 14 K CB 2.243 34.748 32.500 0.008 0.000 1.062 14 K HN 0.433 nan 8.250 nan 0.000 0.465 15 I N 1.942 122.494 120.570 -0.030 0.000 2.498 15 I HA 0.208 4.617 4.170 0.398 0.000 0.290 15 I C -1.333 174.849 176.117 0.108 0.000 1.032 15 I CA -0.892 60.400 61.300 -0.013 0.000 1.073 15 I CB 1.375 39.236 38.000 -0.232 0.000 1.251 15 I HN 0.702 nan 8.210 nan 0.000 0.426 16 H N 8.197 127.341 119.070 0.124 0.000 2.581 16 H HA 0.539 5.335 4.556 0.400 0.000 0.308 16 H C -1.142 174.356 175.328 0.284 0.000 1.040 16 H CA -0.430 55.726 56.048 0.179 0.000 1.231 16 H CB 1.040 30.881 29.762 0.133 0.000 1.396 16 H HN 0.647 nan 8.280 nan 0.000 0.467 17 M N 6.444 126.026 119.600 -0.029 0.000 2.073 17 M HA 0.206 4.925 4.480 0.398 0.000 0.261 17 M C -2.210 174.259 176.300 0.283 0.000 0.928 17 M CA -0.551 54.893 55.300 0.240 0.000 1.006 17 M CB 0.520 33.379 32.600 0.432 0.000 1.893 17 M HN 0.673 nan 8.290 nan 0.000 0.440 18 H N 6.040 125.197 119.070 0.145 0.000 2.511 18 H HA 0.573 5.370 4.556 0.401 0.000 0.328 18 H C -2.047 173.481 175.328 0.333 0.000 1.044 18 H CA -0.214 55.930 56.048 0.160 0.000 1.212 18 H CB 0.794 30.593 29.762 0.062 0.000 1.428 18 H HN 0.730 nan 8.280 nan 0.000 0.483 19 F N 1.217 121.280 119.950 0.188 0.000 2.613 19 F HA 0.507 5.269 4.527 0.392 0.000 0.314 19 F C 0.596 176.544 175.800 0.246 0.000 1.075 19 F CA -1.318 56.823 58.000 0.236 0.000 0.945 19 F CB 1.133 40.233 39.000 0.166 0.000 1.310 19 F HN 0.509 nan 8.300 nan 0.000 0.467 20 R N 1.075 121.810 120.500 0.392 0.000 3.627 20 R HA -0.229 4.350 4.340 0.398 0.000 0.281 20 R C -0.649 175.727 176.300 0.126 0.000 1.140 20 R CA 1.075 57.348 56.100 0.287 0.000 0.761 20 R CB -1.911 28.637 30.300 0.413 0.000 1.181 20 R HN 0.883 nan 8.270 nan 0.000 0.472 21 D N -0.862 119.628 120.400 0.151 0.000 2.983 21 D HA -0.220 4.659 4.640 0.398 0.000 0.225 21 D C 0.715 176.991 176.300 -0.039 0.000 1.174 21 D CA 2.219 56.295 54.000 0.126 0.000 0.831 21 D CB -0.652 40.183 40.800 0.060 0.000 1.104 21 D HN 0.861 nan 8.370 nan 0.000 0.421 22 K N -2.703 117.522 120.400 -0.293 0.000 2.582 22 K HA 0.098 4.657 4.320 0.398 0.000 0.191 22 K C -0.269 175.807 176.600 -0.875 0.000 1.593 22 K CA -0.579 55.352 56.287 -0.593 0.000 1.040 22 K CB 0.590 32.619 32.500 -0.785 0.000 1.374 22 K HN -0.002 nan 8.250 nan 0.000 0.608 23 W N 2.020 122.855 121.300 -0.775 0.000 2.950 23 W HA 0.576 5.483 4.660 0.412 0.000 0.340 23 W C -0.548 175.429 176.519 -0.903 0.000 1.139 23 W CA -0.934 55.866 57.345 -0.909 0.000 1.188 23 W CB 2.147 30.765 29.460 -1.402 0.000 1.426 23 W HN -0.118 nan 8.180 nan 0.000 0.531 24 V N -0.466 119.343 119.914 -0.176 0.000 3.007 24 V HA 0.552 4.911 4.120 0.398 0.000 0.311 24 V C -0.495 175.660 176.094 0.102 0.000 1.120 24 V CA -1.315 60.975 62.300 -0.017 0.000 0.980 24 V CB 2.615 34.384 31.823 -0.091 0.000 1.033 24 V HN 0.673 nan 8.190 nan 0.000 0.429 25 W N 2.984 124.316 121.300 0.053 0.000 2.223 25 W HA 0.346 5.253 4.660 0.411 0.000 0.334 25 W C -0.982 175.188 176.519 -0.581 0.000 1.334 25 W CA 0.736 58.002 57.345 -0.131 0.000 1.246 25 W CB 1.090 30.633 29.460 0.138 0.000 1.184 25 W HN 0.925 nan 8.180 nan 0.000 0.563 26 D N 5.106 124.351 120.400 -1.924 0.000 2.469 26 D HA 0.004 4.882 4.640 0.398 0.000 0.251 26 D C 1.309 177.027 176.300 -0.970 0.000 1.173 26 D CA -0.159 53.028 54.000 -1.355 0.000 0.882 26 D CB 1.018 40.766 40.800 -1.753 0.000 1.129 26 D HN 0.522 nan 8.370 nan 0.000 0.549 27 E N 2.548 122.575 120.200 -0.287 0.000 2.331 27 E HA -0.205 4.383 4.350 0.398 0.000 0.199 27 E C 0.325 176.909 176.600 -0.027 0.000 1.008 27 E CA 0.852 57.283 56.400 0.053 0.000 0.843 27 E CB -0.251 29.572 29.700 0.205 0.000 0.761 27 E HN 0.517 nan 8.360 nan 0.000 0.507 28 N N -0.193 118.419 118.700 -0.147 0.000 2.494 28 N HA -0.044 4.935 4.740 0.398 0.000 0.182 28 N C -0.092 175.422 175.510 0.007 0.000 1.076 28 N CA -0.243 52.764 53.050 -0.071 0.000 0.908 28 N CB 0.018 38.444 38.487 -0.102 0.000 0.967 28 N HN 0.109 nan 8.380 nan 0.000 0.449 29 W N 1.738 122.946 121.300 -0.153 0.000 2.293 29 W HA 0.016 4.929 4.660 0.422 0.000 0.342 29 W C -1.660 174.799 176.519 -0.101 0.000 1.274 29 W CA -1.675 55.569 57.345 -0.169 0.000 1.290 29 W CB -0.243 29.029 29.460 -0.314 0.000 1.176 29 W HN 0.073 nan 8.180 nan 0.000 0.570 30 P HA -0.206 nan 4.420 nan 0.000 0.215 30 P C 1.743 179.090 177.300 0.078 0.000 1.157 30 P CA 1.761 64.912 63.100 0.086 0.000 0.868 30 P CB 0.211 31.940 31.700 0.049 0.000 0.788 31 V N 0.235 120.164 119.914 0.025 0.000 2.287 31 V HA -0.302 4.057 4.120 0.398 0.000 0.248 31 V C 2.463 178.631 176.094 0.123 0.000 1.053 31 V CA 2.373 64.689 62.300 0.027 0.000 1.027 31 V CB -1.800 29.955 31.823 -0.113 0.000 0.646 31 V HN 0.107 nan 8.190 nan 0.000 0.447 32 A N 0.214 123.120 122.820 0.143 0.000 1.865 32 A HA -0.288 4.271 4.320 0.398 0.000 0.217 32 A C 2.332 180.070 177.584 0.256 0.000 1.191 32 A CA 2.314 54.514 52.037 0.271 0.000 0.623 32 A CB -0.586 18.517 19.000 0.172 0.000 0.826 32 A HN 0.528 nan 8.150 nan 0.000 0.444 33 R N -0.811 119.795 120.500 0.178 0.000 2.120 33 R HA -0.138 4.441 4.340 0.398 0.000 0.234 33 R C 2.207 178.580 176.300 0.120 0.000 1.123 33 R CA 1.473 57.656 56.100 0.139 0.000 0.975 33 R CB -0.235 30.127 30.300 0.103 0.000 0.866 33 R HN 0.657 nan 8.270 nan 0.000 0.446 34 E N 0.445 120.717 120.200 0.120 0.000 2.106 34 E HA -0.106 4.483 4.350 0.398 0.000 0.192 34 E C 1.722 178.386 176.600 0.106 0.000 0.984 34 E CA 1.098 57.562 56.400 0.107 0.000 0.806 34 E CB 0.026 29.791 29.700 0.109 0.000 0.750 34 E HN 0.068 nan 8.360 nan 0.000 0.458 35 V N 0.778 120.775 119.914 0.139 0.000 2.427 35 V HA -0.185 4.173 4.120 0.398 0.000 0.248 35 V C 2.354 178.446 176.094 -0.003 0.000 1.051 35 V CA 1.577 63.923 62.300 0.077 0.000 1.048 35 V CB -0.894 31.057 31.823 0.214 0.000 0.666 35 V HN 0.434 nan 8.190 nan 0.000 0.456 36 A N 0.477 123.352 122.820 0.093 0.000 1.883 36 A HA -0.278 4.281 4.320 0.398 0.000 0.217 36 A C 2.434 180.020 177.584 0.003 0.000 1.186 36 A CA 2.171 54.239 52.037 0.052 0.000 0.624 36 A CB -0.638 18.422 19.000 0.101 0.000 0.822 36 A HN 0.465 nan 8.150 nan 0.000 0.444 37 R N -0.110 120.421 120.500 0.051 0.000 2.080 37 R HA -0.133 4.446 4.340 0.398 0.000 0.236 37 R C 1.930 178.314 176.300 0.141 0.000 1.137 37 R CA 2.036 58.194 56.100 0.097 0.000 0.943 37 R CB -0.552 29.805 30.300 0.096 0.000 0.846 37 R HN 0.519 nan 8.270 nan 0.000 0.431 38 L N 0.386 121.634 121.223 0.042 0.000 2.291 38 L HA -0.063 4.515 4.340 0.398 0.000 0.214 38 L C 2.091 178.925 176.870 -0.060 0.000 1.120 38 L CA 1.601 56.442 54.840 0.001 0.000 0.799 38 L CB -0.133 41.862 42.059 -0.106 0.000 0.925 38 L HN 0.449 nan 8.230 nan 0.000 0.446 39 T N -6.240 108.196 114.554 -0.196 0.000 2.975 39 T HA 0.097 4.686 4.350 0.398 0.000 0.257 39 T C 0.949 175.448 174.700 -0.335 0.000 1.003 39 T CA 0.147 62.103 62.100 -0.240 0.000 0.932 39 T CB -0.064 68.592 68.868 -0.354 0.000 1.087 39 T HN 0.353 nan 8.240 nan 0.000 0.512 40 N N -0.131 118.312 118.700 -0.429 0.000 2.850 40 N HA -0.142 4.837 4.740 0.398 0.000 0.249 40 N C -1.062 174.213 175.510 -0.391 0.000 1.060 40 N CA 0.240 52.878 53.050 -0.686 0.000 0.825 40 N CB -0.873 36.681 38.487 -1.556 0.000 1.132 40 N HN 0.349 nan 8.380 nan 0.000 0.564 41 V N 1.230 121.011 119.914 -0.222 0.000 2.444 41 V HA 0.332 4.691 4.120 0.398 0.000 0.294 41 V C 0.038 176.115 176.094 -0.029 0.000 1.022 41 V CA -0.575 61.648 62.300 -0.128 0.000 0.850 41 V CB 1.654 33.414 31.823 -0.104 0.000 0.992 41 V HN 0.106 nan 8.190 nan 0.000 0.426 42 K N 5.199 125.593 120.400 -0.010 0.000 2.244 42 K HA 0.699 5.258 4.320 0.398 0.000 0.260 42 K C -1.288 175.360 176.600 0.080 0.000 0.951 42 K CA -0.639 55.691 56.287 0.072 0.000 0.826 42 K CB 1.318 33.851 32.500 0.055 0.000 1.108 42 K HN 0.623 nan 8.250 nan 0.000 0.433 43 L N 4.316 125.642 121.223 0.172 0.000 2.295 43 L HA 0.484 5.063 4.340 0.398 0.000 0.285 43 L C -0.665 176.327 176.870 0.204 0.000 1.035 43 L CA -1.263 53.615 54.840 0.064 0.000 0.806 43 L CB 1.762 43.691 42.059 -0.218 0.000 1.214 43 L HN 0.349 nan 8.230 nan 0.000 0.426 44 V N 1.906 121.872 119.914 0.086 0.000 2.409 44 V HA 0.476 4.835 4.120 0.398 0.000 0.291 44 V C 0.663 176.830 176.094 0.122 0.000 1.020 44 V CA -0.576 61.814 62.300 0.150 0.000 0.848 44 V CB 1.702 33.578 31.823 0.088 0.000 0.990 44 V HN 0.899 nan 8.190 nan 0.000 0.430 45 G N 2.340 111.285 108.800 0.242 0.000 2.527 45 G HA2 0.444 4.643 3.960 0.398 0.000 0.248 45 G HA3 0.444 4.643 3.960 0.398 0.000 0.248 45 G C 0.541 175.517 174.900 0.126 0.000 1.231 45 G CA 0.348 45.569 45.100 0.201 0.000 0.838 45 G HN 1.224 nan 8.290 nan 0.000 0.570 46 V N -1.862 118.131 119.914 0.131 0.000 3.337 46 V HA 0.646 5.005 4.120 0.398 0.000 0.307 46 V C 1.021 177.232 176.094 0.196 0.000 1.505 46 V CA 0.355 62.740 62.300 0.142 0.000 1.072 46 V CB -0.478 31.432 31.823 0.145 0.000 0.929 46 V HN 0.992 nan 8.190 nan 0.000 0.455 47 A N 1.384 124.284 122.820 0.132 0.000 2.407 47 A HA 0.344 4.903 4.320 0.398 0.000 0.248 47 A C 0.382 178.060 177.584 0.157 0.000 1.082 47 A CA 0.019 52.119 52.037 0.105 0.000 0.785 47 A CB -0.216 18.682 19.000 -0.171 0.000 1.020 47 A HN 0.648 nan 8.150 nan 0.000 0.489 48 N N 1.136 119.966 118.700 0.217 0.000 2.406 48 N HA 0.001 4.979 4.740 0.398 0.000 0.274 48 N C 1.243 176.854 175.510 0.168 0.000 1.249 48 N CA -0.167 52.975 53.050 0.154 0.000 0.951 48 N CB 0.239 38.799 38.487 0.121 0.000 1.241 48 N HN 0.724 nan 8.380 nan 0.000 0.485 49 R N 3.369 123.918 120.500 0.080 0.000 2.127 49 R HA -0.125 4.454 4.340 0.398 0.000 0.238 49 R C 0.697 177.012 176.300 0.025 0.000 1.134 49 R CA 1.435 57.547 56.100 0.021 0.000 0.975 49 R CB -0.011 30.280 30.300 -0.016 0.000 0.865 49 R HN 0.572 nan 8.270 nan 0.000 0.447 50 A N 0.288 123.133 122.820 0.041 0.000 2.988 50 A HA 0.511 5.069 4.320 0.398 0.000 0.288 50 A C -0.266 177.348 177.584 0.051 0.000 1.385 50 A CA 0.030 52.083 52.037 0.025 0.000 1.001 50 A CB -0.049 18.956 19.000 0.009 0.000 1.071 50 A HN 0.375 nan 8.150 nan 0.000 0.608 51 A N -1.029 121.870 122.820 0.132 0.000 2.340 51 A HA 0.654 5.213 4.320 0.398 0.000 0.331 51 A C 0.728 178.393 177.584 0.134 0.000 1.140 51 A CA 0.136 52.238 52.037 0.109 0.000 0.801 51 A CB 1.134 20.139 19.000 0.009 0.000 1.234 51 A HN 0.307 nan 8.150 nan 0.000 0.469 52 T N 0.175 114.741 114.554 0.020 0.000 3.010 52 T HA 0.195 4.783 4.350 0.398 0.000 0.257 52 T C 0.281 174.985 174.700 0.006 0.000 1.020 52 T CA 0.327 62.439 62.100 0.020 0.000 0.938 52 T CB -0.648 68.214 68.868 -0.010 0.000 1.049 52 T HN 0.720 nan 8.240 nan 0.000 0.522 53 N N 0.118 118.777 118.700 -0.069 0.000 2.576 53 N HA 0.286 5.264 4.740 0.398 0.000 0.269 53 N C 0.732 176.139 175.510 -0.171 0.000 1.058 53 N CA -0.252 52.755 53.050 -0.072 0.000 0.860 53 N CB 1.294 39.743 38.487 -0.064 0.000 1.249 53 N HN -0.106 nan 8.380 nan 0.000 0.525 54 S N 1.892 117.560 115.700 -0.052 0.000 2.370 54 S HA -0.177 4.532 4.470 0.398 0.000 0.226 54 S C 1.767 176.410 174.600 0.071 0.000 1.033 54 S CA 1.042 59.258 58.200 0.027 0.000 1.011 54 S CB -0.074 63.330 63.200 0.341 0.000 0.852 54 S HN 0.647 nan 8.310 nan 0.000 0.457 55 Q N 1.118 120.954 119.800 0.060 0.000 2.084 55 Q HA -0.092 4.487 4.340 0.398 0.000 0.202 55 Q C 2.105 178.156 176.000 0.085 0.000 0.978 55 Q CA 1.260 57.100 55.803 0.061 0.000 0.844 55 Q CB -0.506 28.233 28.738 0.001 0.000 0.898 55 Q HN 0.652 nan 8.270 nan 0.000 0.426 56 E N 0.123 120.334 120.200 0.018 0.000 2.085 56 E HA -0.191 4.398 4.350 0.398 0.000 0.194 56 E C 2.052 178.665 176.600 0.022 0.000 0.994 56 E CA 0.830 57.235 56.400 0.008 0.000 0.801 56 E CB 0.173 29.852 29.700 -0.035 0.000 0.743 56 E HN 0.292 nan 8.360 nan 0.000 0.453 57 Q N -0.329 119.471 119.800 -0.001 0.000 2.124 57 Q HA -0.168 4.411 4.340 0.398 0.000 0.202 57 Q C 2.007 178.074 176.000 0.112 0.000 0.977 57 Q CA 0.971 56.800 55.803 0.043 0.000 0.850 57 Q CB -0.410 28.322 28.738 -0.010 0.000 0.901 57 Q HN 0.323 nan 8.270 nan 0.000 0.429 58 F N 2.551 122.533 119.950 0.053 0.000 2.102 58 F HA -0.174 4.591 4.527 0.397 0.000 0.298 58 F C 1.707 177.447 175.800 -0.100 0.000 1.105 58 F CA 1.261 59.267 58.000 0.010 0.000 1.239 58 F CB -0.182 38.849 39.000 0.051 0.000 0.991 58 F HN 0.067 nan 8.300 nan 0.000 0.474 59 N N 1.021 119.851 118.700 0.217 0.000 2.084 59 N HA -0.173 4.806 4.740 0.398 0.000 0.190 59 N C 2.098 177.558 175.510 -0.084 0.000 1.030 59 N CA 1.767 54.867 53.050 0.083 0.000 0.849 59 N CB -0.802 37.751 38.487 0.111 0.000 1.012 59 N HN 0.361 nan 8.380 nan 0.000 0.423 60 L N 0.943 122.122 121.223 -0.074 0.000 2.043 60 L HA -0.152 4.427 4.340 0.398 0.000 0.212 60 L C 2.585 179.344 176.870 -0.185 0.000 1.075 60 L CA 1.186 55.966 54.840 -0.100 0.000 0.752 60 L CB -0.431 41.589 42.059 -0.064 0.000 0.891 60 L HN 0.234 nan 8.230 nan 0.000 0.432 61 M N -0.879 118.531 119.600 -0.317 0.000 2.117 61 M HA -0.245 4.474 4.480 0.398 0.000 0.262 61 M C 2.226 178.278 176.300 -0.413 0.000 1.065 61 M CA 1.806 56.840 55.300 -0.444 0.000 1.114 61 M CB -0.057 32.047 32.600 -0.826 0.000 1.361 61 M HN 0.236 nan 8.290 nan 0.000 0.408 62 M N 0.526 119.833 119.600 -0.487 0.000 2.539 62 M HA 0.003 4.721 4.480 0.398 0.000 0.261 62 M C 1.133 177.273 176.300 -0.266 0.000 1.069 62 M CA 1.287 56.304 55.300 -0.471 0.000 1.081 62 M CB -0.342 31.911 32.600 -0.579 0.000 1.412 62 M HN 0.413 nan 8.290 nan 0.000 0.482 63 A N -2.539 120.163 122.820 -0.198 0.000 2.609 63 A HA 0.402 4.961 4.320 0.398 0.000 0.286 63 A C 1.335 178.855 177.584 -0.107 0.000 1.138 63 A CA -0.188 51.777 52.037 -0.121 0.000 0.960 63 A CB 0.008 18.961 19.000 -0.079 0.000 1.208 63 A HN 0.196 nan 8.150 nan 0.000 0.541 64 S N 0.242 115.862 115.700 -0.132 0.000 2.572 64 S HA 0.487 5.196 4.470 0.398 0.000 0.228 64 S C 0.973 175.519 174.600 -0.091 0.000 0.963 64 S CA 0.603 58.742 58.200 -0.102 0.000 0.939 64 S CB 0.081 63.217 63.200 -0.108 0.000 0.804 64 S HN 1.703 nan 8.310 nan 0.000 0.480 65 G N 1.448 110.189 108.800 -0.099 0.000 2.548 65 G HA2 -0.153 4.046 3.960 0.398 0.000 0.208 65 G HA3 -0.153 4.046 3.960 0.398 0.000 0.208 65 G C -1.310 173.532 174.900 -0.097 0.000 1.308 65 G CA -1.167 43.883 45.100 -0.083 0.000 0.924 65 G HN 0.156 nan 8.290 nan 0.000 0.540 66 Q N 0.102 119.857 119.800 -0.076 0.000 2.859 66 Q HA 0.055 4.634 4.340 0.398 0.000 0.364 66 Q C 1.067 177.014 176.000 -0.090 0.000 1.067 66 Q CA 0.659 56.417 55.803 -0.075 0.000 1.162 66 Q CB -0.135 28.571 28.738 -0.053 0.000 1.023 66 Q HN 0.530 nan 8.270 nan 0.000 0.415 67 L N 5.680 126.838 121.223 -0.109 0.000 2.464 67 L HA 0.216 4.795 4.340 0.398 0.000 0.264 67 L C -1.284 175.550 176.870 -0.060 0.000 1.199 67 L CA -1.500 53.269 54.840 -0.119 0.000 0.818 67 L CB 0.012 41.974 42.059 -0.163 0.000 1.102 67 L HN 0.510 nan 8.230 nan 0.000 0.473 68 P HA 0.073 nan 4.420 nan 0.000 0.318 68 P C -0.438 176.871 177.300 0.016 0.000 1.309 68 P CA -0.228 62.879 63.100 0.011 0.000 0.736 68 P CB 0.802 32.538 31.700 0.061 0.000 1.440 69 D N -1.225 119.183 120.400 0.012 0.000 2.301 69 D HA 0.192 5.070 4.640 0.398 0.000 0.206 69 D C 0.694 177.007 176.300 0.021 0.000 0.979 69 D CA 1.060 55.056 54.000 -0.007 0.000 0.874 69 D CB 0.518 41.286 40.800 -0.053 0.000 0.968 69 D HN 0.273 nan 8.370 nan 0.000 0.510 70 I N 0.610 121.212 120.570 0.054 0.000 2.722 70 I HA 0.248 4.657 4.170 0.398 0.000 0.295 70 I C -1.037 175.219 176.117 0.233 0.000 1.161 70 I CA -0.883 60.480 61.300 0.105 0.000 1.032 70 I CB 3.315 41.303 38.000 -0.021 0.000 1.244 70 I HN -0.402 nan 8.210 nan 0.000 0.421 71 V N 3.257 123.382 119.914 0.352 0.000 2.588 71 V HA 0.879 5.238 4.120 0.398 0.000 0.304 71 V C 0.059 176.498 176.094 0.575 0.000 1.042 71 V CA -0.350 62.253 62.300 0.505 0.000 0.877 71 V CB 1.770 34.014 31.823 0.701 0.000 0.996 71 V HN 0.953 nan 8.190 nan 0.000 0.425 72 G N 1.602 110.746 108.800 0.575 0.000 2.672 72 G HA2 0.914 5.113 3.960 0.398 0.000 0.292 72 G HA3 0.914 5.113 3.960 0.398 0.000 0.292 72 G C -0.465 174.696 174.900 0.436 0.000 1.375 72 G CA -0.187 45.254 45.100 0.569 0.000 0.890 72 G HN 1.370 nan 8.290 nan 0.000 0.476 73 G N -0.230 108.754 108.800 0.307 0.000 2.356 73 G HA2 0.465 4.664 3.960 0.398 0.000 0.300 73 G HA3 0.465 4.664 3.960 0.398 0.000 0.300 73 G C -1.568 173.420 174.900 0.147 0.000 1.331 73 G CA -0.166 45.070 45.100 0.227 0.000 0.905 73 G HN 1.006 nan 8.290 nan 0.000 0.587 74 D N -0.162 120.342 120.400 0.174 0.000 2.283 74 D HA 0.303 5.182 4.640 0.398 0.000 0.248 74 D C 0.241 176.598 176.300 0.094 0.000 1.072 74 D CA -0.312 53.781 54.000 0.155 0.000 0.929 74 D CB 0.899 41.828 40.800 0.215 0.000 1.182 74 D HN 0.549 nan 8.370 nan 0.000 0.433 75 N N 0.771 119.519 118.700 0.080 0.000 2.725 75 N HA -0.170 4.809 4.740 0.398 0.000 0.251 75 N C 0.231 175.663 175.510 -0.131 0.000 1.031 75 N CA 0.316 53.386 53.050 0.033 0.000 0.720 75 N CB -1.090 37.456 38.487 0.098 0.000 0.930 75 N HN 0.591 nan 8.380 nan 0.000 0.543 76 L N -0.694 120.346 121.223 -0.305 0.000 2.858 76 L HA 0.110 4.688 4.340 0.398 0.000 0.251 76 L C 2.149 178.522 176.870 -0.829 0.000 1.149 76 L CA -0.173 54.219 54.840 -0.746 0.000 0.955 76 L CB 0.092 41.418 42.059 -1.222 0.000 1.289 76 L HN 0.146 nan 8.230 nan 0.000 0.542 77 K N 1.114 121.250 120.400 -0.439 0.000 2.032 77 K HA -0.277 4.281 4.320 0.398 0.000 0.218 77 K C 1.326 177.848 176.600 -0.130 0.000 1.054 77 K CA 2.390 58.472 56.287 -0.342 0.000 0.941 77 K CB 0.058 32.528 32.500 -0.049 0.000 0.720 77 K HN 0.181 nan 8.250 nan 0.000 0.449 78 D N 0.247 120.633 120.400 -0.022 0.000 2.178 78 D HA -0.114 4.765 4.640 0.398 0.000 0.201 78 D C 1.812 178.148 176.300 0.061 0.000 0.980 78 D CA 1.186 55.249 54.000 0.107 0.000 0.842 78 D CB 0.054 41.000 40.800 0.244 0.000 0.948 78 D HN 0.346 nan 8.370 nan 0.000 0.472 79 K N -0.487 119.848 120.400 -0.110 0.000 2.103 79 K HA -0.008 4.551 4.320 0.398 0.000 0.204 79 K C 2.249 179.025 176.600 0.293 0.000 1.052 79 K CA 0.458 56.734 56.287 -0.018 0.000 0.945 79 K CB -0.173 31.945 32.500 -0.636 0.000 0.722 79 K HN 0.197 nan 8.250 nan 0.000 0.443 80 F N 1.265 121.247 119.950 0.052 0.000 2.134 80 F HA -0.211 4.554 4.527 0.396 0.000 0.299 80 F C 2.255 178.172 175.800 0.196 0.000 1.097 80 F CA 0.613 58.636 58.000 0.039 0.000 1.264 80 F CB -0.161 38.665 39.000 -0.289 0.000 1.001 80 F HN -0.046 nan 8.300 nan 0.000 0.479 81 I N -0.313 120.471 120.570 0.356 0.000 2.193 81 I HA -0.265 4.144 4.170 0.398 0.000 0.240 81 I C 2.639 178.834 176.117 0.131 0.000 1.084 81 I CA 1.046 62.526 61.300 0.300 0.000 1.365 81 I CB -0.502 37.665 38.000 0.278 0.000 1.064 81 I HN 0.046 nan 8.210 nan 0.000 0.410 82 R N 0.798 121.365 120.500 0.111 0.000 2.082 82 R HA -0.229 4.349 4.340 0.398 0.000 0.234 82 R C 2.389 178.602 176.300 -0.145 0.000 1.136 82 R CA 2.142 58.212 56.100 -0.051 0.000 0.935 82 R CB -0.519 29.691 30.300 -0.151 0.000 0.842 82 R HN 0.277 nan 8.270 nan 0.000 0.430 83 Y N -0.325 120.075 120.300 0.168 0.000 2.439 83 Y HA 0.057 4.846 4.550 0.398 0.000 0.292 83 Y C 2.346 178.253 175.900 0.012 0.000 1.130 83 Y CA 0.834 59.007 58.100 0.121 0.000 1.254 83 Y CB -0.276 38.315 38.460 0.218 0.000 1.000 83 Y HN 0.330 nan 8.280 nan 0.000 0.554 84 G N -0.061 108.775 108.800 0.060 0.000 2.402 84 G HA2 -0.231 3.968 3.960 0.398 0.000 0.216 84 G HA3 -0.231 3.968 3.960 0.398 0.000 0.216 84 G C 1.611 176.030 174.900 -0.801 0.000 1.162 84 G CA 0.875 45.584 45.100 -0.652 0.000 0.777 84 G HN 0.298 nan 8.290 nan 0.000 0.539 85 M N 0.255 119.569 119.600 -0.475 0.000 2.296 85 M HA 0.037 4.756 4.480 0.398 0.000 0.265 85 M C 2.135 178.405 176.300 -0.050 0.000 1.064 85 M CA 0.887 56.118 55.300 -0.115 0.000 1.109 85 M CB -0.122 32.483 32.600 0.009 0.000 1.396 85 M HN 0.252 nan 8.290 nan 0.000 0.430 86 E N -0.073 120.087 120.200 -0.067 0.000 2.482 86 E HA 0.010 4.599 4.350 0.398 0.000 0.196 86 E C 1.187 177.785 176.600 -0.004 0.000 1.047 86 E CA 0.426 56.811 56.400 -0.025 0.000 0.869 86 E CB 0.099 29.788 29.700 -0.019 0.000 0.836 86 E HN 0.698 nan 8.360 nan 0.000 0.520 87 G N 0.550 109.341 108.800 -0.016 0.000 2.157 87 G HA2 -0.338 3.860 3.960 0.398 0.000 0.239 87 G HA3 -0.338 3.860 3.960 0.398 0.000 0.239 87 G C 0.981 175.860 174.900 -0.035 0.000 0.982 87 G CA 0.296 45.399 45.100 0.005 0.000 0.650 87 G HN 0.399 nan 8.290 nan 0.000 0.527 88 A N -0.944 121.815 122.820 -0.100 0.000 2.016 88 A HA 0.621 5.179 4.320 0.398 0.000 0.217 88 A C 0.643 177.956 177.584 -0.451 0.000 1.162 88 A CA 1.098 52.946 52.037 -0.314 0.000 0.662 88 A CB -0.052 18.678 19.000 -0.449 0.000 0.812 88 A HN 0.677 nan 8.150 nan 0.000 0.450 89 F N -0.340 119.662 119.950 0.086 0.000 2.532 89 F HA 0.541 5.308 4.527 0.399 0.000 0.321 89 F C 0.142 176.056 175.800 0.190 0.000 1.089 89 F CA -1.880 56.199 58.000 0.132 0.000 0.926 89 F CB 1.368 40.475 39.000 0.179 0.000 1.168 89 F HN 0.187 nan 8.300 nan 0.000 0.459 90 I N 0.717 121.530 120.570 0.404 0.000 2.577 90 I HA 0.630 5.039 4.170 0.398 0.000 0.300 90 I C -2.761 173.577 176.117 0.368 0.000 0.990 90 I CA -2.336 59.162 61.300 0.331 0.000 1.283 90 I CB 1.319 39.425 38.000 0.177 0.000 1.411 90 I HN 0.262 nan 8.210 nan 0.000 0.515 91 P HA 0.206 nan 4.420 nan 0.000 0.271 91 P C -0.041 177.252 177.300 -0.011 0.000 1.216 91 P CA -0.084 62.999 63.100 -0.027 0.000 0.776 91 P CB 0.762 32.418 31.700 -0.072 0.000 0.881 92 L N 1.396 122.579 121.223 -0.067 0.000 2.693 92 L HA 0.158 4.737 4.340 0.398 0.000 0.235 92 L C 1.733 178.575 176.870 -0.046 0.000 1.127 92 L CA 0.071 54.897 54.840 -0.023 0.000 0.914 92 L CB -0.507 41.560 42.059 0.014 0.000 1.193 92 L HN 0.356 nan 8.230 nan 0.000 0.502 93 N N 1.505 120.147 118.700 -0.097 0.000 2.021 93 N HA -0.281 4.698 4.740 0.398 0.000 0.198 93 N C 1.740 177.224 175.510 -0.044 0.000 1.041 93 N CA 1.833 54.827 53.050 -0.094 0.000 0.862 93 N CB -0.033 38.383 38.487 -0.118 0.000 1.048 93 N HN 0.382 nan 8.380 nan 0.000 0.427 94 K N 1.564 121.944 120.400 -0.033 0.000 2.002 94 K HA -0.084 4.475 4.320 0.398 0.000 0.209 94 K C 2.316 178.915 176.600 -0.001 0.000 1.048 94 K CA 0.858 57.136 56.287 -0.014 0.000 0.930 94 K CB -0.239 32.254 32.500 -0.011 0.000 0.714 94 K HN 0.060 nan 8.250 nan 0.000 0.438 95 L N 1.059 122.282 121.223 0.000 0.000 2.051 95 L HA -0.254 4.325 4.340 0.398 0.000 0.214 95 L C 2.478 179.363 176.870 0.025 0.000 1.076 95 L CA 1.372 56.216 54.840 0.007 0.000 0.758 95 L CB -0.400 41.658 42.059 -0.000 0.000 0.890 95 L HN 0.309 nan 8.230 nan 0.000 0.433 96 I N -0.529 120.062 120.570 0.035 0.000 2.163 96 I HA -0.275 4.134 4.170 0.398 0.000 0.240 96 I C 2.066 178.219 176.117 0.060 0.000 1.081 96 I CA 1.244 62.583 61.300 0.065 0.000 1.353 96 I CB -0.429 37.628 38.000 0.095 0.000 1.054 96 I HN 0.226 nan 8.210 nan 0.000 0.407 97 D N 0.504 120.929 120.400 0.041 0.000 2.221 97 D HA -0.198 4.681 4.640 0.398 0.000 0.204 97 D C 2.172 178.493 176.300 0.035 0.000 0.982 97 D CA 1.269 55.291 54.000 0.037 0.000 0.857 97 D CB -0.108 40.702 40.800 0.017 0.000 0.934 97 D HN 0.486 nan 8.370 nan 0.000 0.475 98 Q N -0.920 118.898 119.800 0.030 0.000 2.373 98 Q HA 0.118 4.697 4.340 0.398 0.000 0.210 98 Q C 0.583 176.604 176.000 0.035 0.000 0.913 98 Q CA 0.449 56.269 55.803 0.028 0.000 0.911 98 Q CB 0.382 29.131 28.738 0.018 0.000 1.040 98 Q HN 0.208 nan 8.270 nan 0.000 0.521 99 N N -0.642 118.083 118.700 0.041 0.000 2.118 99 N HA 0.217 5.196 4.740 0.398 0.000 0.226 99 N C -0.762 174.790 175.510 0.070 0.000 1.305 99 N CA 0.075 53.154 53.050 0.048 0.000 0.890 99 N CB 1.816 40.323 38.487 0.032 0.000 1.118 99 N HN -0.011 nan 8.380 nan 0.000 0.511 100 A N 1.277 124.143 122.820 0.077 0.000 2.978 100 A HA 0.408 4.966 4.320 0.398 0.000 0.341 100 A C -1.806 175.832 177.584 0.090 0.000 1.105 100 A CA -1.173 50.921 52.037 0.096 0.000 0.819 100 A CB 0.768 19.826 19.000 0.097 0.000 1.080 100 A HN -0.092 nan 8.150 nan 0.000 0.476 101 P HA -0.193 nan 4.420 nan 0.000 0.217 101 P C 0.926 178.289 177.300 0.105 0.000 1.150 101 P CA 1.292 64.448 63.100 0.093 0.000 0.832 101 P CB 0.166 31.922 31.700 0.092 0.000 0.787 102 N N -0.220 118.554 118.700 0.124 0.000 2.142 102 N HA -0.064 4.915 4.740 0.398 0.000 0.186 102 N C 2.010 177.575 175.510 0.091 0.000 1.023 102 N CA 0.685 53.829 53.050 0.157 0.000 0.852 102 N CB -0.465 38.155 38.487 0.222 0.000 0.998 102 N HN 0.102 nan 8.380 nan 0.000 0.424 103 L N 0.994 122.190 121.223 -0.045 0.000 2.072 103 L HA -0.092 4.487 4.340 0.398 0.000 0.205 103 L C 2.421 179.236 176.870 -0.092 0.000 1.079 103 L CA 0.941 55.595 54.840 -0.311 0.000 0.752 103 L CB -0.239 41.617 42.059 -0.339 0.000 0.906 103 L HN 0.133 nan 8.230 nan 0.000 0.436 104 K N 0.360 120.804 120.400 0.073 0.000 2.103 104 K HA -0.204 4.355 4.320 0.398 0.000 0.207 104 K C 2.071 178.742 176.600 0.120 0.000 1.048 104 K CA 1.405 57.779 56.287 0.144 0.000 0.930 104 K CB -0.049 32.515 32.500 0.106 0.000 0.716 104 K HN 0.291 nan 8.250 nan 0.000 0.444 105 A N 0.522 123.401 122.820 0.099 0.000 1.897 105 A HA -0.113 4.445 4.320 0.398 0.000 0.215 105 A C 1.949 179.597 177.584 0.106 0.000 1.181 105 A CA 1.057 53.157 52.037 0.105 0.000 0.620 105 A CB -0.730 18.348 19.000 0.130 0.000 0.821 105 A HN 0.500 nan 8.150 nan 0.000 0.443 106 F N -0.031 119.880 119.950 -0.066 0.000 2.069 106 F HA -0.186 4.581 4.527 0.401 0.000 0.298 106 F C 1.944 177.699 175.800 -0.075 0.000 1.113 106 F CA 1.842 59.757 58.000 -0.142 0.000 1.214 106 F CB -0.498 38.213 39.000 -0.482 0.000 0.978 106 F HN 0.236 nan 8.300 nan 0.000 0.474 107 F N 0.218 120.136 119.950 -0.053 0.000 2.171 107 F HA -0.169 4.598 4.527 0.400 0.000 0.300 107 F C 2.361 178.068 175.800 -0.154 0.000 1.090 107 F CA 1.013 58.924 58.000 -0.148 0.000 1.293 107 F CB -0.449 38.526 39.000 -0.042 0.000 1.013 107 F HN -0.100 nan 8.300 nan 0.000 0.486 108 K N 0.513 120.963 120.400 0.084 0.000 2.103 108 K HA -0.158 4.401 4.320 0.398 0.000 0.207 108 K C 1.926 178.483 176.600 -0.071 0.000 1.048 108 K CA 1.902 58.198 56.287 0.014 0.000 0.930 108 K CB -0.608 31.906 32.500 0.025 0.000 0.716 108 K HN 0.301 nan 8.250 nan 0.000 0.444 109 T N -2.700 111.766 114.554 -0.146 0.000 3.081 109 T HA 0.060 4.649 4.350 0.398 0.000 0.250 109 T C 0.341 174.681 174.700 -0.599 0.000 1.100 109 T CA 0.088 62.005 62.100 -0.304 0.000 1.038 109 T CB -0.094 68.599 68.868 -0.293 0.000 0.962 109 T HN 0.125 nan 8.240 nan 0.000 0.516 110 H N 1.553 120.385 119.070 -0.396 0.000 2.386 110 H HA 0.261 5.057 4.556 0.399 0.000 0.232 110 H C -1.879 173.324 175.328 -0.207 0.000 1.416 110 H CA -1.627 54.162 56.048 -0.431 0.000 1.285 110 H CB 1.260 30.431 29.762 -0.986 0.000 1.625 110 H HN 0.283 nan 8.280 nan 0.000 0.521 111 P HA -0.194 nan 4.420 nan 0.000 0.216 111 P C 1.198 178.477 177.300 -0.034 0.000 1.150 111 P CA 1.208 64.280 63.100 -0.047 0.000 0.843 111 P CB 0.597 32.260 31.700 -0.062 0.000 0.787 112 E N -0.271 119.914 120.200 -0.024 0.000 2.077 112 E HA -0.091 4.498 4.350 0.398 0.000 0.193 112 E C 2.200 178.805 176.600 0.009 0.000 0.989 112 E CA 1.002 57.397 56.400 -0.009 0.000 0.800 112 E CB -0.458 29.243 29.700 0.001 0.000 0.746 112 E HN 0.100 nan 8.360 nan 0.000 0.452 113 V N 1.412 121.353 119.914 0.045 0.000 2.295 113 V HA -0.302 4.057 4.120 0.398 0.000 0.246 113 V C 2.561 178.702 176.094 0.078 0.000 1.049 113 V CA 2.100 64.461 62.300 0.102 0.000 1.024 113 V CB -0.582 31.352 31.823 0.185 0.000 0.648 113 V HN 0.292 nan 8.190 nan 0.000 0.447 114 Q N 0.141 119.966 119.800 0.041 0.000 2.096 114 Q HA -0.276 4.302 4.340 0.398 0.000 0.204 114 Q C 2.519 178.393 176.000 -0.210 0.000 0.982 114 Q CA 2.065 57.717 55.803 -0.251 0.000 0.850 114 Q CB -0.207 28.331 28.738 -0.333 0.000 0.901 114 Q HN 0.531 nan 8.270 nan 0.000 0.422 115 R N -0.313 120.116 120.500 -0.118 0.000 2.081 115 R HA -0.136 4.442 4.340 0.398 0.000 0.235 115 R C 2.089 178.346 176.300 -0.072 0.000 1.131 115 R CA 1.281 57.322 56.100 -0.099 0.000 0.960 115 R CB -0.395 29.861 30.300 -0.072 0.000 0.856 115 R HN 0.354 nan 8.270 nan 0.000 0.436 116 A N 1.536 124.332 122.820 -0.040 0.000 2.024 116 A HA -0.128 4.430 4.320 0.398 0.000 0.220 116 A C 2.029 179.633 177.584 0.033 0.000 1.164 116 A CA 1.571 53.607 52.037 -0.001 0.000 0.643 116 A CB -0.532 18.483 19.000 0.026 0.000 0.806 116 A HN 0.624 nan 8.150 nan 0.000 0.451 117 I N -4.508 116.038 120.570 -0.039 0.000 3.956 117 I HA 0.179 4.588 4.170 0.398 0.000 0.333 117 I C -0.049 176.020 176.117 -0.081 0.000 1.302 117 I CA -0.062 61.187 61.300 -0.086 0.000 1.122 117 I CB -0.073 37.658 38.000 -0.448 0.000 1.013 117 I HN -0.093 nan 8.210 nan 0.000 0.405 118 T N 3.010 117.508 114.554 -0.093 0.000 2.869 118 T HA 0.582 5.170 4.350 0.398 0.000 0.295 118 T C 0.495 175.197 174.700 0.004 0.000 0.987 118 T CA -0.141 61.903 62.100 -0.095 0.000 1.109 118 T CB 1.378 70.163 68.868 -0.138 0.000 0.932 118 T HN 0.431 nan 8.240 nan 0.000 0.518 119 A N 4.853 127.697 122.820 0.040 0.000 2.272 119 A HA 0.524 5.083 4.320 0.398 0.000 0.275 119 A C -1.250 176.368 177.584 0.057 0.000 1.096 119 A CA -1.493 50.621 52.037 0.129 0.000 0.822 119 A CB -0.230 18.966 19.000 0.327 0.000 1.088 119 A HN 0.526 nan 8.150 nan 0.000 0.495 120 P HA -0.156 nan 4.420 nan 0.000 0.216 120 P C 0.302 177.617 177.300 0.026 0.000 1.150 120 P CA 1.718 64.833 63.100 0.025 0.000 0.837 120 P CB -0.038 31.678 31.700 0.028 0.000 0.786 121 D N -2.038 118.400 120.400 0.064 0.000 2.336 121 D HA 0.084 4.962 4.640 0.398 0.000 0.229 121 D C 1.390 177.688 176.300 -0.004 0.000 1.061 121 D CA 0.612 54.640 54.000 0.046 0.000 0.875 121 D CB -1.124 39.737 40.800 0.102 0.000 0.904 121 D HN 0.219 nan 8.370 nan 0.000 0.525 122 G N -0.251 108.530 108.800 -0.031 0.000 2.179 122 G HA2 -0.290 3.909 3.960 0.398 0.000 0.260 122 G HA3 -0.290 3.909 3.960 0.398 0.000 0.260 122 G C -0.020 174.792 174.900 -0.146 0.000 0.977 122 G CA -0.066 44.986 45.100 -0.080 0.000 0.641 122 G HN 0.418 nan 8.290 nan 0.000 0.533 123 N N 0.057 118.635 118.700 -0.203 0.000 2.509 123 N HA 0.543 5.522 4.740 0.398 0.000 0.287 123 N C 0.237 175.424 175.510 -0.539 0.000 1.121 123 N CA -0.294 52.501 53.050 -0.425 0.000 0.977 123 N CB 1.102 39.190 38.487 -0.664 0.000 1.167 123 N HN 0.246 nan 8.380 nan 0.000 0.476 124 I N 2.418 122.696 120.570 -0.485 0.000 2.304 124 I HA 0.111 4.520 4.170 0.398 0.000 0.291 124 I C 0.271 176.174 176.117 -0.356 0.000 1.018 124 I CA -0.275 60.799 61.300 -0.376 0.000 1.260 124 I CB 0.449 38.243 38.000 -0.344 0.000 1.390 124 I HN 0.557 nan 8.210 nan 0.000 0.475 125 Y N 6.169 126.514 120.300 0.075 0.000 2.458 125 Y HA 0.114 4.902 4.550 0.397 0.000 0.256 125 Y C -0.141 175.813 175.900 0.090 0.000 1.159 125 Y CA -0.536 57.656 58.100 0.153 0.000 1.261 125 Y CB 0.392 39.019 38.460 0.277 0.000 1.119 125 Y HN 0.603 nan 8.280 nan 0.000 0.524 126 Y N -2.760 117.523 120.300 -0.029 0.000 2.689 126 Y HA 0.631 5.418 4.550 0.396 0.000 0.333 126 Y C -2.088 173.819 175.900 0.012 0.000 1.208 126 Y CA -2.757 55.237 58.100 -0.175 0.000 1.055 126 Y CB 0.635 38.798 38.460 -0.495 0.000 1.304 126 Y HN -0.302 nan 8.280 nan 0.000 0.455 127 L N 3.939 125.214 121.223 0.088 0.000 2.313 127 L HA 0.598 5.177 4.340 0.398 0.000 0.283 127 L C -2.523 174.469 176.870 0.204 0.000 1.013 127 L CA -1.920 52.971 54.840 0.086 0.000 0.816 127 L CB 2.220 44.370 42.059 0.152 0.000 1.236 127 L HN 0.457 nan 8.230 nan 0.000 0.419 128 P HA 0.056 nan 4.420 nan 0.000 0.278 128 P C -1.423 175.988 177.300 0.185 0.000 1.258 128 P CA -0.467 62.791 63.100 0.263 0.000 0.811 128 P CB 1.061 32.886 31.700 0.209 0.000 1.063 129 Y N 2.103 122.426 120.300 0.037 0.000 2.365 129 Y HA 0.320 5.111 4.550 0.402 0.000 0.340 129 Y C -1.033 174.780 175.900 -0.147 0.000 1.016 129 Y CA -1.313 56.718 58.100 -0.115 0.000 1.196 129 Y CB 0.122 38.576 38.460 -0.011 0.000 1.167 129 Y HN 0.003 nan 8.280 nan 0.000 0.509 130 V N 10.375 130.147 119.914 -0.237 0.000 2.293 130 V HA 0.318 4.676 4.120 0.398 0.000 0.275 130 V C -2.151 173.779 176.094 -0.274 0.000 1.021 130 V CA -1.950 60.182 62.300 -0.280 0.000 0.815 130 V CB 0.774 32.425 31.823 -0.286 0.000 1.025 130 V HN 0.711 nan 8.190 nan 0.000 0.448 131 P HA 0.222 nan 4.420 nan 0.000 0.271 131 P C -0.841 176.519 177.300 0.100 0.000 1.233 131 P CA -0.104 62.893 63.100 -0.173 0.000 0.789 131 P CB 0.637 32.219 31.700 -0.196 0.000 0.951 132 D N -0.477 120.046 120.400 0.205 0.000 2.787 132 D HA 0.642 5.521 4.640 0.398 0.000 0.246 132 D C -0.383 176.085 176.300 0.279 0.000 1.150 132 D CA 0.082 54.234 54.000 0.252 0.000 0.864 132 D CB 1.205 42.153 40.800 0.247 0.000 1.481 132 D HN 0.567 nan 8.370 nan 0.000 0.509 133 G N 1.174 110.056 108.800 0.137 0.000 2.353 133 G HA2 0.114 4.312 3.960 0.398 0.000 0.424 133 G HA3 0.114 4.312 3.960 0.398 0.000 0.424 133 G C -0.852 174.048 174.900 0.001 0.000 1.320 133 G CA -0.151 44.942 45.100 -0.012 0.000 0.995 133 G HN 0.542 nan 8.290 nan 0.000 0.580 134 L N -0.060 121.136 121.223 -0.044 0.000 2.777 134 L HA 0.653 5.232 4.340 0.398 0.000 0.172 134 L C 1.618 178.509 176.870 0.035 0.000 1.179 134 L CA 1.651 56.487 54.840 -0.007 0.000 0.859 134 L CB 0.025 42.056 42.059 -0.048 0.000 1.269 134 L HN 1.445 nan 8.230 nan 0.000 0.511 135 V N -0.870 119.069 119.914 0.042 0.000 3.214 135 V HA 0.610 4.969 4.120 0.398 0.000 0.306 135 V C 0.816 176.941 176.094 0.053 0.000 1.078 135 V CA 0.350 62.700 62.300 0.083 0.000 1.077 135 V CB 0.921 32.831 31.823 0.145 0.000 1.121 135 V HN 0.608 nan 8.190 nan 0.000 0.468 136 S N 1.691 117.323 115.700 -0.113 0.000 3.627 136 S HA 0.436 5.145 4.470 0.398 0.000 0.190 136 S C 0.719 174.898 174.600 -0.701 0.000 0.880 136 S CA -0.628 57.170 58.200 -0.670 0.000 0.894 136 S CB 0.109 62.615 63.200 -1.157 0.000 1.095 136 S HN 0.746 nan 8.310 nan 0.000 0.655 137 R N 0.770 120.818 120.500 -0.752 0.000 2.596 137 R HA 0.772 5.351 4.340 0.398 0.000 0.267 137 R C -0.220 175.589 176.300 -0.819 0.000 1.026 137 R CA -0.197 55.393 56.100 -0.849 0.000 1.087 137 R CB 1.313 31.059 30.300 -0.924 0.000 1.132 137 R HN 0.649 nan 8.270 nan 0.000 0.531 138 G N 0.173 108.287 108.800 -1.143 0.000 2.646 138 G HA2 0.359 4.558 3.960 0.398 0.000 0.291 138 G HA3 0.359 4.558 3.960 0.398 0.000 0.291 138 G C -1.801 172.869 174.900 -0.384 0.000 1.445 138 G CA -0.676 43.924 45.100 -0.833 0.000 0.814 138 G HN 0.332 nan 8.290 nan 0.000 0.495 139 Y N -0.360 120.111 120.300 0.285 0.000 2.319 139 Y HA 0.606 5.396 4.550 0.399 0.000 0.328 139 Y C -0.090 175.874 175.900 0.106 0.000 1.133 139 Y CA 0.230 58.559 58.100 0.381 0.000 1.265 139 Y CB 1.074 39.786 38.460 0.419 0.000 1.218 139 Y HN 0.310 nan 8.280 nan 0.000 0.508 140 F N 3.538 123.653 119.950 0.275 0.000 2.540 140 F HA 0.611 5.378 4.527 0.399 0.000 0.317 140 F C -0.393 175.504 175.800 0.162 0.000 1.104 140 F CA -0.999 57.093 58.000 0.154 0.000 0.913 140 F CB 1.670 40.699 39.000 0.049 0.000 1.170 140 F HN 0.300 nan 8.300 nan 0.000 0.450 141 I N 2.616 123.329 120.570 0.239 0.000 2.865 141 I HA 0.474 4.883 4.170 0.398 0.000 0.302 141 I C -0.796 175.323 176.117 0.004 0.000 1.140 141 I CA -1.060 60.351 61.300 0.185 0.000 1.021 141 I CB 1.535 39.674 38.000 0.231 0.000 1.233 141 I HN 0.374 nan 8.210 nan 0.000 0.427 142 R N 4.392 124.828 120.500 -0.107 0.000 2.387 142 R HA 0.039 4.618 4.340 0.398 0.000 0.321 142 R C 0.473 176.689 176.300 -0.139 0.000 1.174 142 R CA -0.017 55.837 56.100 -0.410 0.000 1.002 142 R CB 0.490 30.229 30.300 -0.935 0.000 1.028 142 R HN 0.610 nan 8.270 nan 0.000 0.482 143 Q N 2.395 122.115 119.800 -0.133 0.000 2.167 143 Q HA -0.159 4.420 4.340 0.398 0.000 0.202 143 Q C 1.022 177.018 176.000 -0.006 0.000 0.970 143 Q CA 1.984 57.773 55.803 -0.023 0.000 0.855 143 Q CB 0.203 28.924 28.738 -0.029 0.000 0.911 143 Q HN 0.581 nan 8.270 nan 0.000 0.438 144 D N -1.513 118.836 120.400 -0.085 0.000 2.183 144 D HA -0.176 4.703 4.640 0.398 0.000 0.203 144 D C 1.142 177.533 176.300 0.152 0.000 0.969 144 D CA 0.684 54.688 54.000 0.005 0.000 0.842 144 D CB -0.793 39.987 40.800 -0.033 0.000 0.957 144 D HN 0.316 nan 8.370 nan 0.000 0.484 145 W N 1.260 122.463 121.300 -0.162 0.000 2.418 145 W HA 0.184 5.085 4.660 0.400 0.000 0.292 145 W C 2.501 179.026 176.519 0.010 0.000 1.213 145 W CA -0.042 57.194 57.345 -0.181 0.000 1.283 145 W CB -0.925 28.212 29.460 -0.539 0.000 1.119 145 W HN -0.015 nan 8.180 nan 0.000 0.542 146 L N -0.048 121.377 121.223 0.337 0.000 2.012 146 L HA -0.247 4.331 4.340 0.398 0.000 0.210 146 L C 2.136 179.072 176.870 0.110 0.000 1.073 146 L CA 1.596 56.592 54.840 0.260 0.000 0.748 146 L CB -0.883 41.295 42.059 0.200 0.000 0.891 146 L HN -0.138 nan 8.230 nan 0.000 0.431 147 D N -0.134 120.314 120.400 0.080 0.000 2.117 147 D HA -0.200 4.678 4.640 0.398 0.000 0.197 147 D C 2.086 178.344 176.300 -0.071 0.000 0.987 147 D CA 1.098 55.120 54.000 0.038 0.000 0.829 147 D CB -0.110 40.721 40.800 0.050 0.000 0.961 147 D HN 0.062 nan 8.370 nan 0.000 0.460 148 K N 0.540 120.896 120.400 -0.074 0.000 2.097 148 K HA -0.013 4.546 4.320 0.398 0.000 0.206 148 K C 1.654 177.981 176.600 -0.455 0.000 1.049 148 K CA 0.834 57.008 56.287 -0.188 0.000 0.933 148 K CB -0.178 32.266 32.500 -0.094 0.000 0.717 148 K HN 0.148 nan 8.250 nan 0.000 0.442 149 L N 0.030 121.064 121.223 -0.316 0.000 2.607 149 L HA 0.132 4.711 4.340 0.398 0.000 0.228 149 L C -0.321 176.388 176.870 -0.268 0.000 1.123 149 L CA -0.198 54.463 54.840 -0.299 0.000 0.890 149 L CB -0.374 41.655 42.059 -0.050 0.000 1.103 149 L HN 0.353 nan 8.230 nan 0.000 0.468 150 H N -0.970 118.127 119.070 0.045 0.000 2.839 150 H HA -0.122 4.673 4.556 0.398 0.000 0.298 150 H C -0.192 175.153 175.328 0.027 0.000 1.224 150 H CA 0.461 56.528 56.048 0.031 0.000 1.144 150 H CB -2.091 27.680 29.762 0.016 0.000 1.372 150 H HN 0.301 nan 8.280 nan 0.000 0.408 151 L N 0.398 121.672 121.223 0.085 0.000 2.331 151 L HA 0.398 4.976 4.340 0.398 0.000 0.275 151 L C 0.880 177.779 176.870 0.049 0.000 1.022 151 L CA -0.708 54.164 54.840 0.054 0.000 0.812 151 L CB 1.764 43.840 42.059 0.028 0.000 1.257 151 L HN -0.019 nan 8.230 nan 0.000 0.435 152 K N 0.446 120.860 120.400 0.022 0.000 2.087 152 K HA 0.357 4.916 4.320 0.398 0.000 0.255 152 K C -0.423 176.176 176.600 -0.001 0.000 0.988 152 K CA -0.763 55.534 56.287 0.016 0.000 0.915 152 K CB 1.107 33.609 32.500 0.004 0.000 1.043 152 K HN 0.465 nan 8.250 nan 0.000 0.457 153 T N 4.793 119.349 114.554 0.005 0.000 2.822 153 T HA 0.022 4.611 4.350 0.398 0.000 0.288 153 T C -2.093 172.580 174.700 -0.045 0.000 0.991 153 T CA -0.765 61.331 62.100 -0.006 0.000 1.176 153 T CB -0.168 68.702 68.868 0.003 0.000 0.951 153 T HN 0.380 nan 8.240 nan 0.000 0.526 154 P HA 0.120 nan 4.420 nan 0.000 0.267 154 P C 0.217 177.431 177.300 -0.143 0.000 1.209 154 P CA -0.214 62.815 63.100 -0.119 0.000 0.763 154 P CB 0.924 32.530 31.700 -0.156 0.000 0.816 155 Q N 0.916 120.630 119.800 -0.143 0.000 2.392 155 Q HA 0.084 4.662 4.340 0.398 0.000 0.219 155 Q C 1.118 176.987 176.000 -0.219 0.000 0.895 155 Q CA 0.999 56.706 55.803 -0.159 0.000 0.929 155 Q CB 0.192 28.863 28.738 -0.112 0.000 1.077 155 Q HN 0.637 nan 8.270 nan 0.000 0.532 156 T N -3.920 110.498 114.554 -0.227 0.000 2.907 156 T HA 0.460 5.048 4.350 0.398 0.000 0.290 156 T C 1.243 175.739 174.700 -0.341 0.000 1.066 156 T CA -0.631 61.300 62.100 -0.280 0.000 1.012 156 T CB 1.401 70.144 68.868 -0.208 0.000 1.184 156 T HN -0.232 nan 8.240 nan 0.000 0.522 157 V N 1.150 120.805 119.914 -0.432 0.000 2.407 157 V HA -0.126 4.233 4.120 0.398 0.000 0.248 157 V C 2.366 178.379 176.094 -0.136 0.000 1.055 157 V CA 2.048 64.064 62.300 -0.472 0.000 1.049 157 V CB -0.750 30.646 31.823 -0.711 0.000 0.662 157 V HN 0.873 nan 8.190 nan 0.000 0.455 158 D N -0.091 120.245 120.400 -0.108 0.000 2.117 158 D HA -0.163 4.716 4.640 0.398 0.000 0.197 158 D C 2.172 178.485 176.300 0.021 0.000 0.987 158 D CA 1.285 55.286 54.000 0.002 0.000 0.829 158 D CB -0.097 40.681 40.800 -0.038 0.000 0.961 158 D HN 0.569 nan 8.370 nan 0.000 0.460 159 E N 0.184 120.346 120.200 -0.065 0.000 2.106 159 E HA -0.134 4.455 4.350 0.398 0.000 0.192 159 E C 2.105 178.637 176.600 -0.113 0.000 0.984 159 E CA 0.180 56.532 56.400 -0.080 0.000 0.806 159 E CB -0.001 29.635 29.700 -0.106 0.000 0.750 159 E HN 0.092 nan 8.360 nan 0.000 0.458 160 L N 0.467 121.608 121.223 -0.137 0.000 2.027 160 L HA -0.191 4.387 4.340 0.398 0.000 0.206 160 L C 2.265 179.016 176.870 -0.198 0.000 1.074 160 L CA 1.686 56.423 54.840 -0.172 0.000 0.745 160 L CB -0.738 41.200 42.059 -0.201 0.000 0.898 160 L HN 0.132 nan 8.230 nan 0.000 0.433 161 Y N 0.007 120.180 120.300 -0.213 0.000 2.151 161 Y HA -0.295 4.494 4.550 0.398 0.000 0.284 161 Y C 2.303 178.007 175.900 -0.327 0.000 1.166 161 Y CA 2.480 60.350 58.100 -0.384 0.000 1.163 161 Y CB -0.690 37.715 38.460 -0.093 0.000 0.974 161 Y HN 0.224 nan 8.280 nan 0.000 0.511 162 T N -0.355 114.093 114.554 -0.177 0.000 2.821 162 T HA -0.152 4.437 4.350 0.398 0.000 0.267 162 T C 2.012 176.508 174.700 -0.340 0.000 1.046 162 T CA 1.524 63.488 62.100 -0.227 0.000 1.139 162 T CB -0.612 68.216 68.868 -0.067 0.000 0.871 162 T HN 0.225 nan 8.240 nan 0.000 0.454 163 V N 1.571 121.264 119.914 -0.368 0.000 2.307 163 V HA -0.084 4.274 4.120 0.398 0.000 0.245 163 V C 2.467 178.084 176.094 -0.794 0.000 1.045 163 V CA 1.430 63.411 62.300 -0.532 0.000 1.024 163 V CB -0.611 30.905 31.823 -0.512 0.000 0.651 163 V HN 0.446 nan 8.190 nan 0.000 0.449 164 L N -0.588 120.240 121.223 -0.659 0.000 2.083 164 L HA -0.136 4.443 4.340 0.398 0.000 0.209 164 L C 2.680 179.326 176.870 -0.374 0.000 1.083 164 L CA 1.232 55.778 54.840 -0.491 0.000 0.752 164 L CB -0.683 41.127 42.059 -0.416 0.000 0.899 164 L HN 0.234 nan 8.230 nan 0.000 0.433 165 K N 0.654 120.731 120.400 -0.538 0.000 2.057 165 K HA -0.108 4.451 4.320 0.398 0.000 0.207 165 K C 2.123 178.581 176.600 -0.237 0.000 1.049 165 K CA 1.563 57.580 56.287 -0.451 0.000 0.931 165 K CB -0.259 31.865 32.500 -0.627 0.000 0.714 165 K HN 0.269 nan 8.250 nan 0.000 0.440 166 A N 0.492 123.177 122.820 -0.225 0.000 1.930 166 A HA -0.125 4.433 4.320 0.398 0.000 0.217 166 A C 2.034 179.651 177.584 0.055 0.000 1.175 166 A CA 1.050 53.029 52.037 -0.095 0.000 0.627 166 A CB -0.601 18.340 19.000 -0.098 0.000 0.815 166 A HN 0.196 nan 8.150 nan 0.000 0.443 167 F N 0.382 120.265 119.950 -0.111 0.000 2.126 167 F HA -0.132 4.634 4.527 0.398 0.000 0.299 167 F C 2.217 177.931 175.800 -0.144 0.000 1.096 167 F CA 1.732 59.673 58.000 -0.098 0.000 1.255 167 F CB -0.818 38.246 39.000 0.106 0.000 0.997 167 F HN 0.255 nan 8.300 nan 0.000 0.479 168 K N 0.622 121.081 120.400 0.097 0.000 2.062 168 K HA -0.138 4.421 4.320 0.398 0.000 0.205 168 K C 1.628 178.202 176.600 -0.044 0.000 1.051 168 K CA 1.688 57.979 56.287 0.008 0.000 0.941 168 K CB -0.162 32.319 32.500 -0.032 0.000 0.719 168 K HN 0.286 nan 8.250 nan 0.000 0.440 169 E N -0.759 119.406 120.200 -0.059 0.000 2.431 169 E HA 0.061 4.649 4.350 0.398 0.000 0.200 169 E C 0.682 177.239 176.600 -0.073 0.000 0.995 169 E CA 0.090 56.451 56.400 -0.065 0.000 0.915 169 E CB 0.463 30.125 29.700 -0.065 0.000 0.930 169 E HN 0.043 nan 8.360 nan 0.000 0.496 170 K N 1.395 121.745 120.400 -0.082 0.000 2.469 170 K HA 0.022 4.581 4.320 0.398 0.000 0.201 170 K C -0.354 176.157 176.600 -0.149 0.000 1.028 170 K CA 0.059 56.289 56.287 -0.095 0.000 1.170 170 K CB -0.007 32.450 32.500 -0.073 0.000 0.874 170 K HN 0.005 nan 8.250 nan 0.000 0.507 171 D N 1.487 121.779 120.400 -0.179 0.000 2.802 171 D HA -0.134 4.745 4.640 0.398 0.000 0.229 171 D C -1.398 174.698 176.300 -0.340 0.000 1.203 171 D CA 0.200 54.064 54.000 -0.226 0.000 0.712 171 D CB 0.091 40.805 40.800 -0.143 0.000 0.973 171 D HN 0.174 nan 8.370 nan 0.000 0.407 172 P HA -0.202 nan 4.420 nan 0.000 0.217 172 P C 0.972 177.852 177.300 -0.701 0.000 1.150 172 P CA 1.485 64.091 63.100 -0.823 0.000 0.832 172 P CB -0.077 30.683 31.700 -1.567 0.000 0.787 173 N N -0.393 117.953 118.700 -0.590 0.000 2.521 173 N HA 0.036 5.015 4.740 0.398 0.000 0.188 173 N C 1.312 176.760 175.510 -0.102 0.000 1.146 173 N CA 0.756 53.702 53.050 -0.173 0.000 0.893 173 N CB -1.578 36.927 38.487 0.031 0.000 0.975 173 N HN 0.162 nan 8.380 nan 0.000 0.451 174 G N 1.110 109.817 108.800 -0.155 0.000 2.321 174 G HA2 -0.387 3.812 3.960 0.398 0.000 0.287 174 G HA3 -0.387 3.812 3.960 0.398 0.000 0.287 174 G C 0.330 175.198 174.900 -0.053 0.000 1.018 174 G CA 0.621 45.665 45.100 -0.094 0.000 0.855 174 G HN 0.875 nan 8.290 nan 0.000 0.507 175 N N -0.709 117.960 118.700 -0.051 0.000 2.235 175 N HA 0.343 5.322 4.740 0.398 0.000 0.209 175 N C 1.626 177.119 175.510 -0.029 0.000 1.122 175 N CA 0.258 53.292 53.050 -0.026 0.000 0.845 175 N CB 0.335 38.816 38.487 -0.011 0.000 1.004 175 N HN 1.177 nan 8.380 nan 0.000 0.499 176 G N 0.836 109.610 108.800 -0.043 0.000 2.168 176 G HA2 -0.323 3.876 3.960 0.398 0.000 0.263 176 G HA3 -0.323 3.876 3.960 0.398 0.000 0.263 176 G C -0.257 174.622 174.900 -0.035 0.000 0.977 176 G CA 0.405 45.483 45.100 -0.038 0.000 0.659 176 G HN 0.464 nan 8.290 nan 0.000 0.533 177 K N -0.265 120.112 120.400 -0.039 0.000 2.259 177 K HA 0.707 5.266 4.320 0.398 0.000 0.249 177 K C 0.178 176.752 176.600 -0.044 0.000 0.942 177 K CA -0.274 55.994 56.287 -0.032 0.000 0.816 177 K CB 2.040 34.528 32.500 -0.019 0.000 1.155 177 K HN 0.402 nan 8.250 nan 0.000 0.428 178 A N 2.786 125.584 122.820 -0.036 0.000 3.056 178 A HA 0.064 4.622 4.320 0.398 0.000 0.274 178 A C 0.051 177.621 177.584 -0.024 0.000 1.661 178 A CA -0.250 51.764 52.037 -0.039 0.000 1.363 178 A CB -0.605 18.375 19.000 -0.033 0.000 1.139 178 A HN 0.775 nan 8.150 nan 0.000 0.598 179 D N -0.294 120.093 120.400 -0.021 0.000 2.407 179 D HA 0.061 4.939 4.640 0.398 0.000 0.208 179 D C -0.032 176.287 176.300 0.032 0.000 1.083 179 D CA 0.023 54.026 54.000 0.006 0.000 0.844 179 D CB -0.106 40.702 40.800 0.014 0.000 0.967 179 D HN 0.389 nan 8.370 nan 0.000 0.506 180 E N 0.491 120.700 120.200 0.015 0.000 2.384 180 E HA 0.313 4.902 4.350 0.398 0.000 0.266 180 E C -0.139 176.532 176.600 0.118 0.000 1.012 180 E CA 0.275 56.724 56.400 0.083 0.000 0.901 180 E CB 1.168 30.838 29.700 -0.051 0.000 0.967 180 E HN 0.266 nan 8.360 nan 0.000 0.435 181 I N 5.360 126.040 120.570 0.184 0.000 2.420 181 I HA 0.182 4.590 4.170 0.398 0.000 0.282 181 I C -1.870 174.397 176.117 0.250 0.000 1.019 181 I CA -2.151 59.242 61.300 0.154 0.000 1.130 181 I CB 1.660 39.714 38.000 0.090 0.000 1.262 181 I HN 0.358 nan 8.210 nan 0.000 0.454 182 P HA -0.194 nan 4.420 nan 0.000 0.213 182 P C 0.010 177.580 177.300 0.450 0.000 1.176 182 P CA 1.468 64.827 63.100 0.433 0.000 0.919 182 P CB 0.211 32.084 31.700 0.288 0.000 0.791 183 F N -0.069 120.021 119.950 0.233 0.000 2.444 183 F HA 0.490 5.257 4.527 0.399 0.000 0.342 183 F C -0.241 175.647 175.800 0.147 0.000 1.121 183 F CA -1.385 56.758 58.000 0.238 0.000 0.997 183 F CB 0.685 39.864 39.000 0.298 0.000 1.130 183 F HN -0.219 nan 8.300 nan 0.000 0.454 184 I N 2.673 122.983 120.570 -0.433 0.000 2.892 184 I HA 0.679 5.088 4.170 0.398 0.000 0.306 184 I C -1.560 174.223 176.117 -0.557 0.000 1.078 184 I CA -0.859 60.223 61.300 -0.363 0.000 1.032 184 I CB 2.344 40.130 38.000 -0.357 0.000 1.229 184 I HN 0.639 nan 8.210 nan 0.000 0.435 185 N N 0.598 119.124 118.700 -0.290 0.000 2.516 185 N HA 0.368 5.347 4.740 0.398 0.000 0.268 185 N C -0.046 175.410 175.510 -0.090 0.000 1.096 185 N CA -0.828 52.113 53.050 -0.181 0.000 0.954 185 N CB 1.778 40.240 38.487 -0.042 0.000 1.676 185 N HN 0.741 nan 8.380 nan 0.000 0.490 186 R N 0.439 120.917 120.500 -0.038 0.000 2.236 186 R HA 0.147 4.726 4.340 0.398 0.000 0.208 186 R C -0.740 175.597 176.300 0.061 0.000 1.036 186 R CA 0.617 56.722 56.100 0.009 0.000 1.001 186 R CB -0.075 30.255 30.300 0.051 0.000 0.896 186 R HN 0.368 nan 8.270 nan 0.000 0.464 187 D N 1.699 122.155 120.400 0.093 0.000 2.392 187 D HA 0.166 5.045 4.640 0.398 0.000 0.228 187 D C -1.980 174.269 176.300 -0.085 0.000 1.074 187 D CA -2.152 51.905 54.000 0.096 0.000 0.838 187 D CB 1.970 42.960 40.800 0.316 0.000 1.067 187 D HN -0.155 nan 8.370 nan 0.000 0.511 188 P HA -0.162 nan 4.420 nan 0.000 0.216 188 P C 0.921 177.889 177.300 -0.554 0.000 1.150 188 P CA 1.145 64.032 63.100 -0.356 0.000 0.843 188 P CB 0.494 32.108 31.700 -0.143 0.000 0.787 189 E N -0.531 119.334 120.200 -0.559 0.000 2.265 189 E HA -0.176 4.412 4.350 0.398 0.000 0.196 189 E C 1.815 178.174 176.600 -0.401 0.000 0.996 189 E CA 0.777 56.762 56.400 -0.692 0.000 0.832 189 E CB -0.714 28.049 29.700 -1.561 0.000 0.756 189 E HN 0.310 nan 8.360 nan 0.000 0.491 190 E N 0.157 120.234 120.200 -0.206 0.000 2.265 190 E HA -0.116 4.472 4.350 0.398 0.000 0.196 190 E C 2.012 178.627 176.600 0.025 0.000 0.996 190 E CA 0.367 56.839 56.400 0.120 0.000 0.832 190 E CB -0.151 29.727 29.700 0.296 0.000 0.756 190 E HN 0.187 nan 8.360 nan 0.000 0.491 191 V N 0.055 119.844 119.914 -0.210 0.000 2.515 191 V HA -0.196 4.163 4.120 0.398 0.000 0.250 191 V C 1.812 177.833 176.094 -0.123 0.000 1.058 191 V CA 1.317 63.474 62.300 -0.239 0.000 1.064 191 V CB -0.414 31.109 31.823 -0.501 0.000 0.675 191 V HN 0.199 nan 8.190 nan 0.000 0.461 192 F N -0.277 119.669 119.950 -0.007 0.000 2.259 192 F HA -0.052 4.714 4.527 0.398 0.000 0.298 192 F C 2.604 178.424 175.800 0.035 0.000 1.088 192 F CA 1.210 59.241 58.000 0.053 0.000 1.358 192 F CB -0.264 38.898 39.000 0.269 0.000 1.040 192 F HN 0.000 nan 8.300 nan 0.000 0.505 193 R N 1.139 121.782 120.500 0.238 0.000 2.241 193 R HA -0.120 4.458 4.340 0.398 0.000 0.224 193 R C 1.919 178.152 176.300 -0.111 0.000 1.101 193 R CA 0.568 56.755 56.100 0.146 0.000 0.995 193 R CB -0.307 30.110 30.300 0.195 0.000 0.870 193 R HN 0.378 nan 8.270 nan 0.000 0.463 194 L N 0.792 121.868 121.223 -0.245 0.000 2.353 194 L HA -0.130 4.448 4.340 0.398 0.000 0.220 194 L C 2.218 178.843 176.870 -0.408 0.000 1.133 194 L CA 0.683 55.157 54.840 -0.609 0.000 0.798 194 L CB -0.373 41.380 42.059 -0.511 0.000 0.922 194 L HN 0.167 nan 8.230 nan 0.000 0.445 195 V N -3.563 116.261 119.914 -0.150 0.000 2.913 195 V HA -0.152 4.207 4.120 0.398 0.000 0.260 195 V C 2.015 178.117 176.094 0.013 0.000 1.098 195 V CA 1.513 63.798 62.300 -0.025 0.000 1.121 195 V CB -0.769 30.940 31.823 -0.191 0.000 0.714 195 V HN 0.408 nan 8.190 nan 0.000 0.487 196 N N 0.937 119.602 118.700 -0.059 0.000 2.205 196 N HA -0.098 4.881 4.740 0.398 0.000 0.186 196 N C 1.393 176.794 175.510 -0.183 0.000 1.015 196 N CA 1.589 54.660 53.050 0.034 0.000 0.862 196 N CB -0.596 37.990 38.487 0.165 0.000 0.986 196 N HN 0.547 nan 8.380 nan 0.000 0.429 197 F N -0.637 119.002 119.950 -0.518 0.000 2.307 197 F HA -0.096 4.669 4.527 0.398 0.000 0.301 197 F C 1.217 176.284 175.800 -1.223 0.000 1.076 197 F CA 0.123 57.503 58.000 -1.034 0.000 1.383 197 F CB -0.516 37.495 39.000 -1.647 0.000 1.055 197 F HN 0.209 nan 8.300 nan 0.000 0.526 198 W N 0.111 121.262 121.300 -0.248 0.000 2.390 198 W HA 0.437 5.335 4.660 0.398 0.000 0.397 198 W C 1.239 177.598 176.519 -0.266 0.000 0.839 198 W CA 0.239 57.402 57.345 -0.304 0.000 2.576 198 W CB -0.305 28.959 29.460 -0.327 0.000 1.346 198 W HN 0.179 nan 8.180 nan 0.000 0.708 199 G N 1.688 110.304 108.800 -0.307 0.000 2.225 199 G HA2 -0.096 4.103 3.960 0.398 0.000 0.267 199 G HA3 -0.096 4.103 3.960 0.398 0.000 0.267 199 G C 0.109 175.061 174.900 0.086 0.000 1.024 199 G CA 0.381 45.279 45.100 -0.336 0.000 0.784 199 G HN 0.437 nan 8.290 nan 0.000 0.507 200 A N -0.317 122.605 122.820 0.171 0.000 2.365 200 A HA 0.886 5.445 4.320 0.398 0.000 0.318 200 A C 0.437 178.213 177.584 0.321 0.000 1.091 200 A CA -0.749 51.441 52.037 0.255 0.000 0.763 200 A CB 1.275 20.362 19.000 0.146 0.000 1.248 200 A HN 0.281 nan 8.150 nan 0.000 0.442 201 R N 0.803 121.420 120.500 0.196 0.000 2.577 201 R HA 0.436 5.015 4.340 0.398 0.000 0.269 201 R C 1.006 177.406 176.300 0.166 0.000 1.084 201 R CA 0.441 56.554 56.100 0.022 0.000 1.163 201 R CB 1.033 31.012 30.300 -0.535 0.000 1.100 201 R HN 0.926 nan 8.270 nan 0.000 0.547 202 S N -1.997 113.815 115.700 0.187 0.000 2.593 202 S HA 0.093 4.801 4.470 0.398 0.000 0.235 202 S C 0.454 175.276 174.600 0.370 0.000 1.059 202 S CA 0.082 58.498 58.200 0.359 0.000 0.953 202 S CB 0.687 64.149 63.200 0.436 0.000 0.897 202 S HN 0.647 nan 8.310 nan 0.000 0.507 203 T N -0.760 113.926 114.554 0.220 0.000 2.907 203 T HA 0.503 5.092 4.350 0.398 0.000 0.344 203 T C 0.371 175.150 174.700 0.131 0.000 1.675 203 T CA 0.100 62.326 62.100 0.209 0.000 1.076 203 T CB 0.916 69.996 68.868 0.354 0.000 1.483 203 T HN 0.234 nan 8.240 nan 0.000 0.487 204 G N 1.367 110.282 108.800 0.192 0.000 2.880 204 G HA2 0.440 4.639 3.960 0.398 0.000 0.209 204 G HA3 0.440 4.639 3.960 0.398 0.000 0.209 204 G C 0.562 175.620 174.900 0.264 0.000 1.157 204 G CA 0.771 46.013 45.100 0.236 0.000 0.779 204 G HN 1.401 nan 8.290 nan 0.000 0.539 205 S N -1.487 114.352 115.700 0.233 0.000 2.757 205 S HA 0.252 4.960 4.470 0.398 0.000 0.285 205 S C 0.424 175.072 174.600 0.081 0.000 1.196 205 S CA -0.172 58.130 58.200 0.170 0.000 0.856 205 S CB 0.791 64.117 63.200 0.210 0.000 1.212 205 S HN -0.064 nan 8.310 nan 0.000 0.516 206 N N 0.504 119.216 118.700 0.020 0.000 2.443 206 N HA 0.047 5.025 4.740 0.398 0.000 0.184 206 N C 0.095 175.495 175.510 -0.183 0.000 1.037 206 N CA 1.137 54.126 53.050 -0.103 0.000 0.896 206 N CB -0.296 38.171 38.487 -0.033 0.000 0.959 206 N HN 0.652 nan 8.380 nan 0.000 0.442 207 T N 0.891 115.445 114.554 0.000 0.000 2.779 207 T HA 0.078 4.667 4.350 0.398 0.000 0.296 207 T C -0.303 174.498 174.700 0.168 0.000 0.938 207 T CA -0.323 61.822 62.100 0.075 0.000 1.119 207 T CB 0.031 69.025 68.868 0.210 0.000 0.891 207 T HN 0.149 nan 8.240 nan 0.000 0.526 208 W N 3.404 124.859 121.300 0.259 0.000 2.231 208 W HA 0.156 5.054 4.660 0.397 0.000 0.341 208 W C 1.209 177.884 176.519 0.260 0.000 1.298 208 W CA -0.808 56.700 57.345 0.271 0.000 1.266 208 W CB -0.137 29.486 29.460 0.272 0.000 1.172 208 W HN 0.674 nan 8.180 nan 0.000 0.568 209 M N 1.630 121.573 119.600 0.573 0.000 2.169 209 M HA -0.281 4.438 4.480 0.398 0.000 0.196 209 M C -0.540 175.997 176.300 0.396 0.000 0.355 209 M CA 0.633 56.159 55.300 0.376 0.000 0.396 209 M CB -1.180 31.502 32.600 0.137 0.000 1.125 209 M HN 0.376 nan 8.290 nan 0.000 0.939 210 D N -0.369 120.218 120.400 0.311 0.000 2.294 210 D HA 0.512 5.391 4.640 0.398 0.000 0.250 210 D C -0.123 176.237 176.300 0.100 0.000 1.058 210 D CA -0.168 54.029 54.000 0.329 0.000 0.950 210 D CB 0.675 41.733 40.800 0.431 0.000 1.158 210 D HN 0.107 nan 8.370 nan 0.000 0.453 211 F N 0.886 120.971 119.950 0.224 0.000 2.399 211 F HA 0.290 5.056 4.527 0.398 0.000 0.313 211 F C 0.390 176.016 175.800 -0.290 0.000 1.202 211 F CA -0.154 57.789 58.000 -0.095 0.000 1.192 211 F CB 0.218 39.052 39.000 -0.278 0.000 1.256 211 F HN 0.267 nan 8.300 nan 0.000 0.558 212 Y N -1.428 118.674 120.300 -0.330 0.000 2.644 212 Y HA 0.735 5.524 4.550 0.398 0.000 0.338 212 Y C -1.404 174.267 175.900 -0.381 0.000 1.119 212 Y CA -2.283 55.602 58.100 -0.359 0.000 1.060 212 Y CB 0.703 39.093 38.460 -0.116 0.000 1.294 212 Y HN 0.487 nan 8.280 nan 0.000 0.472 213 V N -0.522 119.283 119.914 -0.182 0.000 2.555 213 V HA 0.789 5.147 4.120 0.398 0.000 0.302 213 V C -0.972 175.073 176.094 -0.082 0.000 1.038 213 V CA -0.713 61.428 62.300 -0.265 0.000 0.887 213 V CB 1.504 33.239 31.823 -0.147 0.000 0.991 213 V HN 1.028 nan 8.190 nan 0.000 0.434 214 E N 3.997 124.101 120.200 -0.160 0.000 2.317 214 E HA 0.360 4.949 4.350 0.398 0.000 0.270 214 E C -0.280 176.295 176.600 -0.041 0.000 0.899 214 E CA -0.628 55.759 56.400 -0.022 0.000 0.814 214 E CB 1.031 30.765 29.700 0.057 0.000 1.296 214 E HN 1.069 nan 8.360 nan 0.000 0.404 215 N N 3.746 122.448 118.700 0.003 0.000 2.696 215 N HA -0.221 4.758 4.740 0.398 0.000 0.256 215 N C 0.548 176.063 175.510 0.008 0.000 1.031 215 N CA 1.858 54.919 53.050 0.018 0.000 0.730 215 N CB -1.134 37.369 38.487 0.027 0.000 0.894 215 N HN 1.021 nan 8.380 nan 0.000 0.544 216 G N -0.433 108.381 108.800 0.023 0.000 2.180 216 G HA2 -0.356 3.843 3.960 0.398 0.000 0.263 216 G HA3 -0.356 3.843 3.960 0.398 0.000 0.263 216 G C -0.019 174.800 174.900 -0.134 0.000 0.989 216 G CA 1.037 46.186 45.100 0.081 0.000 0.692 216 G HN 0.648 nan 8.290 nan 0.000 0.526 217 K N 0.060 120.309 120.400 -0.252 0.000 2.376 217 K HA 0.523 5.082 4.320 0.398 0.000 0.257 217 K C 0.184 176.532 176.600 -0.421 0.000 0.939 217 K CA -1.112 55.009 56.287 -0.277 0.000 0.809 217 K CB 1.545 33.962 32.500 -0.138 0.000 1.121 217 K HN 0.017 nan 8.250 nan 0.000 0.425 218 I N 3.648 123.957 120.570 -0.436 0.000 2.496 218 I HA 0.142 4.550 4.170 0.398 0.000 0.285 218 I C 0.165 176.089 176.117 -0.321 0.000 1.080 218 I CA 0.196 61.228 61.300 -0.446 0.000 1.404 218 I CB 0.397 38.172 38.000 -0.375 0.000 1.403 218 I HN 0.521 nan 8.210 nan 0.000 0.539 219 K N 4.772 124.928 120.400 -0.407 0.000 2.512 219 K HA 0.420 4.979 4.320 0.398 0.000 0.263 219 K C -0.854 175.731 176.600 -0.024 0.000 0.966 219 K CA -0.855 55.278 56.287 -0.256 0.000 0.851 219 K CB 2.717 34.892 32.500 -0.541 0.000 1.395 219 K HN 0.474 nan 8.250 nan 0.000 0.440 220 H N 2.394 121.606 119.070 0.238 0.000 2.505 220 H HA 0.205 5.000 4.556 0.398 0.000 0.338 220 H C -2.232 173.317 175.328 0.369 0.000 1.057 220 H CA -2.148 54.082 56.048 0.304 0.000 1.202 220 H CB 2.004 31.952 29.762 0.311 0.000 1.466 220 H HN 0.232 nan 8.280 nan 0.000 0.499 221 P HA -0.207 nan 4.420 nan 0.000 0.217 221 P C 1.091 178.427 177.300 0.061 0.000 1.158 221 P CA 1.428 64.665 63.100 0.229 0.000 0.887 221 P CB -0.020 31.750 31.700 0.117 0.000 0.792 222 F N -1.225 118.637 119.950 -0.146 0.000 2.546 222 F HA 0.024 4.790 4.527 0.398 0.000 0.298 222 F C 2.224 178.013 175.800 -0.018 0.000 1.120 222 F CA 0.868 58.537 58.000 -0.551 0.000 1.456 222 F CB -1.043 37.736 39.000 -0.369 0.000 1.088 222 F HN -0.087 nan 8.300 nan 0.000 0.572 223 A N -1.496 121.508 122.820 0.306 0.000 2.220 223 A HA 0.096 4.655 4.320 0.398 0.000 0.211 223 A C 0.985 178.895 177.584 0.542 0.000 1.176 223 A CA 0.047 52.260 52.037 0.294 0.000 0.834 223 A CB -0.154 18.909 19.000 0.104 0.000 0.868 223 A HN -0.025 nan 8.150 nan 0.000 0.488 224 E N -0.026 120.480 120.200 0.509 0.000 2.366 224 E HA 0.192 4.781 4.350 0.398 0.000 0.266 224 E C 1.111 177.979 176.600 0.447 0.000 1.051 224 E CA -0.198 56.483 56.400 0.469 0.000 0.884 224 E CB 1.358 31.293 29.700 0.392 0.000 1.006 224 E HN 0.015 nan 8.360 nan 0.000 0.417 225 V N 2.403 122.489 119.914 0.287 0.000 2.490 225 V HA -0.286 4.073 4.120 0.398 0.000 0.250 225 V C 2.113 178.120 176.094 -0.145 0.000 1.061 225 V CA 2.282 64.558 62.300 -0.040 0.000 1.064 225 V CB -0.684 31.132 31.823 -0.011 0.000 0.670 225 V HN 0.781 nan 8.190 nan 0.000 0.461 226 A N -0.724 122.116 122.820 0.033 0.000 1.978 226 A HA -0.250 4.309 4.320 0.398 0.000 0.220 226 A C 2.088 179.661 177.584 -0.017 0.000 1.170 226 A CA 1.924 53.974 52.037 0.022 0.000 0.636 226 A CB -0.687 18.388 19.000 0.126 0.000 0.810 226 A HN 0.546 nan 8.150 nan 0.000 0.448 227 F N 0.381 120.263 119.950 -0.114 0.000 2.186 227 F HA -0.084 4.681 4.527 0.397 0.000 0.299 227 F C 2.220 177.783 175.800 -0.396 0.000 1.090 227 F CA 1.989 59.884 58.000 -0.176 0.000 1.307 227 F CB -0.038 38.925 39.000 -0.062 0.000 1.019 227 F HN 0.202 nan 8.300 nan 0.000 0.489 228 K N 0.269 120.364 120.400 -0.509 0.000 2.009 228 K HA -0.210 4.349 4.320 0.398 0.000 0.210 228 K C 1.680 177.849 176.600 -0.717 0.000 1.049 228 K CA 2.141 57.853 56.287 -0.958 0.000 0.929 228 K CB -0.354 31.133 32.500 -1.687 0.000 0.714 228 K HN 0.233 nan 8.250 nan 0.000 0.440 229 D N -0.515 119.558 120.400 -0.545 0.000 2.144 229 D HA -0.093 4.786 4.640 0.398 0.000 0.200 229 D C 1.885 177.935 176.300 -0.417 0.000 0.978 229 D CA 1.354 55.092 54.000 -0.438 0.000 0.833 229 D CB -0.310 40.322 40.800 -0.280 0.000 0.961 229 D HN 0.493 nan 8.370 nan 0.000 0.470 230 G N 1.113 109.704 108.800 -0.349 0.000 2.402 230 G HA2 -0.216 3.983 3.960 0.398 0.000 0.216 230 G HA3 -0.216 3.983 3.960 0.398 0.000 0.216 230 G C 1.642 176.219 174.900 -0.538 0.000 1.162 230 G CA 0.112 45.026 45.100 -0.311 0.000 0.777 230 G HN 0.187 nan 8.290 nan 0.000 0.539 231 I N 0.713 120.866 120.570 -0.696 0.000 2.493 231 I HA -0.001 4.408 4.170 0.398 0.000 0.254 231 I C 2.525 178.330 176.117 -0.520 0.000 1.160 231 I CA 0.965 61.872 61.300 -0.656 0.000 1.445 231 I CB -0.093 37.447 38.000 -0.767 0.000 1.086 231 I HN 0.075 nan 8.210 nan 0.000 0.433 232 K N -0.769 119.274 120.400 -0.596 0.000 2.097 232 K HA -0.173 4.386 4.320 0.398 0.000 0.206 232 K C 2.106 178.342 176.600 -0.606 0.000 1.049 232 K CA 1.232 57.183 56.287 -0.560 0.000 0.933 232 K CB -0.350 31.772 32.500 -0.629 0.000 0.717 232 K HN 0.448 nan 8.250 nan 0.000 0.442 233 H N 0.140 118.739 119.070 -0.784 0.000 2.357 233 H HA -0.059 4.736 4.556 0.398 0.000 0.301 233 H C 2.285 177.088 175.328 -0.876 0.000 1.082 233 H CA 1.230 56.612 56.048 -1.110 0.000 1.342 233 H CB -0.128 28.151 29.762 -2.472 0.000 1.389 233 H HN -0.054 nan 8.280 nan 0.000 0.511 234 V N 1.251 120.801 119.914 -0.606 0.000 2.343 234 V HA -0.239 4.120 4.120 0.398 0.000 0.247 234 V C 2.845 178.929 176.094 -0.017 0.000 1.051 234 V CA 1.496 63.634 62.300 -0.269 0.000 1.036 234 V CB -1.027 30.681 31.823 -0.193 0.000 0.654 234 V HN 0.443 nan 8.190 nan 0.000 0.451 235 A N -0.353 122.421 122.820 -0.076 0.000 1.940 235 A HA -0.312 4.246 4.320 0.398 0.000 0.219 235 A C 2.191 179.858 177.584 0.140 0.000 1.176 235 A CA 2.258 54.320 52.037 0.041 0.000 0.631 235 A CB -0.520 18.456 19.000 -0.041 0.000 0.814 235 A HN 0.556 nan 8.150 nan 0.000 0.446 236 Q N -1.196 118.645 119.800 0.068 0.000 2.046 236 Q HA -0.176 4.403 4.340 0.398 0.000 0.200 236 Q C 1.685 177.906 176.000 0.369 0.000 0.975 236 Q CA 1.982 57.885 55.803 0.167 0.000 0.836 236 Q CB -0.469 28.333 28.738 0.106 0.000 0.896 236 Q HN 0.705 nan 8.270 nan 0.000 0.428 237 W N -0.439 120.943 121.300 0.137 0.000 2.374 237 W HA -0.144 4.754 4.660 0.397 0.000 0.288 237 W C 2.154 178.784 176.519 0.185 0.000 1.218 237 W CA 1.104 58.572 57.345 0.205 0.000 1.245 237 W CB -1.107 28.502 29.460 0.249 0.000 1.126 237 W HN 0.344 nan 8.180 nan 0.000 0.545 238 Y N 1.089 121.571 120.300 0.303 0.000 2.220 238 Y HA -0.185 4.603 4.550 0.397 0.000 0.291 238 Y C 2.249 178.244 175.900 0.158 0.000 1.129 238 Y CA 2.176 60.401 58.100 0.209 0.000 1.161 238 Y CB -0.352 38.216 38.460 0.180 0.000 0.997 238 Y HN -0.169 nan 8.280 nan 0.000 0.522 239 K N 0.191 120.757 120.400 0.277 0.000 2.097 239 K HA -0.178 4.380 4.320 0.398 0.000 0.206 239 K C 1.592 178.229 176.600 0.061 0.000 1.049 239 K CA 1.829 58.209 56.287 0.155 0.000 0.933 239 K CB -0.137 32.460 32.500 0.162 0.000 0.717 239 K HN 0.428 nan 8.250 nan 0.000 0.442 240 E N -0.386 119.866 120.200 0.088 0.000 2.494 240 E HA 0.012 4.601 4.350 0.398 0.000 0.193 240 E C 0.581 177.170 176.600 -0.019 0.000 1.074 240 E CA 0.206 56.630 56.400 0.041 0.000 0.867 240 E CB 0.304 30.049 29.700 0.074 0.000 0.924 240 E HN 0.482 nan 8.360 nan 0.000 0.502 241 G N 1.254 110.022 108.800 -0.053 0.000 2.168 241 G HA2 -0.310 3.888 3.960 0.398 0.000 0.257 241 G HA3 -0.310 3.888 3.960 0.398 0.000 0.257 241 G C 0.806 175.691 174.900 -0.026 0.000 0.997 241 G CA 0.394 45.443 45.100 -0.086 0.000 0.708 241 G HN 0.319 nan 8.290 nan 0.000 0.520 242 L N -0.904 120.322 121.223 0.004 0.000 2.240 242 L HA 0.291 4.870 4.340 0.398 0.000 0.211 242 L C 1.520 178.501 176.870 0.185 0.000 1.106 242 L CA 0.698 55.546 54.840 0.012 0.000 0.793 242 L CB -0.069 41.881 42.059 -0.181 0.000 0.927 242 L HN 0.298 nan 8.230 nan 0.000 0.446 243 I N 0.175 120.877 120.570 0.219 0.000 2.377 243 I HA 0.084 4.493 4.170 0.398 0.000 0.293 243 I C -0.024 176.196 176.117 0.172 0.000 0.987 243 I CA -0.813 60.678 61.300 0.319 0.000 1.185 243 I CB 1.488 39.734 38.000 0.411 0.000 1.341 243 I HN -0.096 nan 8.210 nan 0.000 0.455 244 D N 9.594 130.117 120.400 0.206 0.000 2.662 244 D HA -0.069 4.809 4.640 0.398 0.000 0.237 244 D C -1.321 175.035 176.300 0.093 0.000 1.154 244 D CA -1.139 52.924 54.000 0.105 0.000 0.861 244 D CB 0.939 41.789 40.800 0.083 0.000 1.146 244 D HN 0.269 nan 8.370 nan 0.000 0.518 245 P HA -0.145 nan 4.420 nan 0.000 0.221 245 P C 0.284 177.723 177.300 0.232 0.000 1.145 245 P CA 0.940 64.026 63.100 -0.024 0.000 0.795 245 P CB 0.351 31.997 31.700 -0.090 0.000 0.775 246 E N -0.756 119.532 120.200 0.146 0.000 2.403 246 E HA 0.063 4.652 4.350 0.398 0.000 0.188 246 E C 1.578 178.248 176.600 0.117 0.000 1.056 246 E CA -0.511 55.973 56.400 0.141 0.000 0.892 246 E CB -0.533 29.209 29.700 0.071 0.000 1.049 246 E HN 0.215 nan 8.360 nan 0.000 0.465 247 I N 0.004 120.648 120.570 0.124 0.000 2.248 247 I HA -0.286 4.123 4.170 0.398 0.000 0.248 247 I C 1.371 177.348 176.117 -0.234 0.000 1.107 247 I CA 1.480 62.736 61.300 -0.072 0.000 1.373 247 I CB -0.136 37.781 38.000 -0.139 0.000 1.055 247 I HN -0.017 nan 8.210 nan 0.000 0.418 248 F N -0.604 119.373 119.950 0.045 0.000 2.743 248 F HA 0.029 4.795 4.527 0.398 0.000 0.297 248 F C 2.270 178.094 175.800 0.041 0.000 1.131 248 F CA 0.994 59.009 58.000 0.025 0.000 1.426 248 F CB -0.521 38.491 39.000 0.019 0.000 1.116 248 F HN 0.206 nan 8.300 nan 0.000 0.583 249 T N -3.526 111.131 114.554 0.172 0.000 2.999 249 T HA 0.113 4.702 4.350 0.398 0.000 0.247 249 T C 1.986 176.717 174.700 0.052 0.000 1.012 249 T CA -0.114 62.052 62.100 0.110 0.000 1.048 249 T CB -0.111 68.822 68.868 0.107 0.000 1.020 249 T HN 0.058 nan 8.240 nan 0.000 0.478 250 R N 1.539 122.058 120.500 0.032 0.000 2.082 250 R HA -0.065 4.513 4.340 0.398 0.000 0.234 250 R C 0.737 177.030 176.300 -0.012 0.000 1.136 250 R CA 1.746 57.845 56.100 -0.002 0.000 0.935 250 R CB -0.211 30.074 30.300 -0.025 0.000 0.842 250 R HN 0.435 nan 8.270 nan 0.000 0.430 251 K N -3.411 116.982 120.400 -0.012 0.000 1.941 251 K HA -0.325 4.234 4.320 0.398 0.000 0.187 251 K C 1.160 177.761 176.600 0.001 0.000 1.490 251 K CA 0.939 57.226 56.287 -0.000 0.000 0.446 251 K CB -1.643 30.863 32.500 0.010 0.000 0.688 251 K HN 0.279 nan 8.250 nan 0.000 0.803 252 A N 1.007 123.836 122.820 0.015 0.000 1.906 252 A HA -0.283 4.276 4.320 0.398 0.000 0.222 252 A C 1.509 179.114 177.584 0.035 0.000 1.282 252 A CA 2.559 54.617 52.037 0.035 0.000 0.675 252 A CB -0.540 18.457 19.000 -0.004 0.000 0.838 252 A HN 0.422 nan 8.150 nan 0.000 0.469 253 R N -0.060 120.440 120.500 0.001 0.000 2.586 253 R HA 0.296 4.875 4.340 0.398 0.000 0.306 253 R C 1.433 177.690 176.300 -0.070 0.000 1.079 253 R CA 0.557 56.655 56.100 -0.003 0.000 1.083 253 R CB -0.589 29.712 30.300 0.001 0.000 1.306 253 R HN 0.548 nan 8.270 nan 0.000 0.567 254 S N 1.029 116.665 115.700 -0.107 0.000 2.383 254 S HA -0.126 4.583 4.470 0.398 0.000 0.229 254 S C 1.823 176.197 174.600 -0.377 0.000 1.030 254 S CA 1.224 59.303 58.200 -0.202 0.000 1.002 254 S CB 0.053 63.135 63.200 -0.197 0.000 0.829 254 S HN 0.422 nan 8.310 nan 0.000 0.467 255 R N 0.892 121.141 120.500 -0.418 0.000 2.066 255 R HA -0.040 4.539 4.340 0.398 0.000 0.232 255 R C 2.314 178.263 176.300 -0.585 0.000 1.131 255 R CA 1.346 56.980 56.100 -0.777 0.000 0.955 255 R CB -0.320 29.485 30.300 -0.826 0.000 0.851 255 R HN 0.316 nan 8.270 nan 0.000 0.432 256 E N 0.847 120.936 120.200 -0.185 0.000 2.118 256 E HA -0.198 4.390 4.350 0.398 0.000 0.195 256 E C 2.048 178.619 176.600 -0.048 0.000 0.992 256 E CA 1.311 57.739 56.400 0.045 0.000 0.804 256 E CB -0.006 29.773 29.700 0.132 0.000 0.741 256 E HN 0.346 nan 8.360 nan 0.000 0.458 257 Q N -0.486 119.248 119.800 -0.109 0.000 1.990 257 Q HA -0.115 4.464 4.340 0.398 0.000 0.200 257 Q C 2.458 178.389 176.000 -0.115 0.000 0.980 257 Q CA 2.032 57.779 55.803 -0.093 0.000 0.832 257 Q CB -0.251 28.430 28.738 -0.095 0.000 0.897 257 Q HN 0.483 nan 8.270 nan 0.000 0.427 258 T N -1.672 112.742 114.554 -0.233 0.000 2.812 258 T HA -0.044 4.545 4.350 0.398 0.000 0.264 258 T C 1.700 176.334 174.700 -0.110 0.000 1.042 258 T CA 0.848 62.815 62.100 -0.223 0.000 1.140 258 T CB -0.539 68.108 68.868 -0.369 0.000 0.870 258 T HN 0.197 nan 8.240 nan 0.000 0.445 259 F N 1.632 121.494 119.950 -0.147 0.000 2.234 259 F HA 0.224 4.988 4.527 0.395 0.000 0.296 259 F C 3.005 178.734 175.800 -0.117 0.000 1.089 259 F CA 0.213 58.150 58.000 -0.105 0.000 1.343 259 F CB -0.461 38.397 39.000 -0.238 0.000 1.040 259 F HN 0.329 nan 8.300 nan 0.000 0.498 260 G N -0.173 108.656 108.800 0.048 0.000 2.422 260 G HA2 -0.321 3.877 3.960 0.398 0.000 0.218 260 G HA3 -0.321 3.877 3.960 0.398 0.000 0.218 260 G C 1.171 176.090 174.900 0.032 0.000 1.146 260 G CA 0.976 46.086 45.100 0.016 0.000 0.769 260 G HN 0.247 nan 8.290 nan 0.000 0.547 261 N N 0.333 119.062 118.700 0.047 0.000 2.268 261 N HA -0.021 4.957 4.740 0.398 0.000 0.204 261 N C 0.761 176.344 175.510 0.122 0.000 1.124 261 N CA -0.036 53.052 53.050 0.064 0.000 0.838 261 N CB -0.402 38.109 38.487 0.041 0.000 0.994 261 N HN 0.097 nan 8.380 nan 0.000 0.489 262 N N 0.369 119.173 118.700 0.173 0.000 2.725 262 N HA -0.204 4.775 4.740 0.398 0.000 0.251 262 N C 0.087 175.831 175.510 0.389 0.000 1.031 262 N CA 1.089 54.311 53.050 0.287 0.000 0.720 262 N CB -1.333 37.326 38.487 0.286 0.000 0.930 262 N HN 0.675 nan 8.380 nan 0.000 0.543 263 I N -4.511 116.239 120.570 0.300 0.000 4.338 263 I HA 0.462 4.871 4.170 0.398 0.000 0.329 263 I C 0.923 177.236 176.117 0.327 0.000 1.378 263 I CA -0.265 61.246 61.300 0.352 0.000 1.170 263 I CB 0.707 38.810 38.000 0.171 0.000 1.206 263 I HN 0.118 nan 8.210 nan 0.000 0.432 264 G N 0.822 109.722 108.800 0.168 0.000 2.332 264 G HA2 0.508 4.707 3.960 0.398 0.000 0.310 264 G HA3 0.508 4.707 3.960 0.398 0.000 0.310 264 G C 0.501 175.377 174.900 -0.039 0.000 1.123 264 G CA -0.049 45.097 45.100 0.077 0.000 0.873 264 G HN 0.241 nan 8.290 nan 0.000 0.460 265 G N 0.880 109.720 108.800 0.067 0.000 2.850 265 G HA2 0.397 4.596 3.960 0.398 0.000 0.211 265 G HA3 0.397 4.596 3.960 0.398 0.000 0.211 265 G C 0.261 175.277 174.900 0.192 0.000 1.124 265 G CA 0.211 45.239 45.100 -0.120 0.000 0.769 265 G HN 0.655 nan 8.290 nan 0.000 0.535 266 M N -0.269 119.513 119.600 0.304 0.000 2.605 266 M HA 0.519 5.238 4.480 0.398 0.000 0.281 266 M C -2.138 174.238 176.300 0.126 0.000 1.166 266 M CA -0.371 55.131 55.300 0.337 0.000 0.875 266 M CB 1.944 34.853 32.600 0.516 0.000 1.732 266 M HN 0.003 nan 8.290 nan 0.000 0.504 267 T N 0.384 115.049 114.554 0.186 0.000 2.731 267 T HA 0.453 5.041 4.350 0.398 0.000 0.300 267 T C -2.301 172.574 174.700 0.291 0.000 1.283 267 T CA -0.407 61.636 62.100 -0.096 0.000 1.005 267 T CB 1.672 70.515 68.868 -0.042 0.000 1.420 267 T HN 0.836 nan 8.240 nan 0.000 0.503 268 H N 2.118 121.245 119.070 0.094 0.000 3.092 268 H HA 0.495 5.290 4.556 0.400 0.000 0.308 268 H C -1.639 173.698 175.328 0.014 0.000 1.047 268 H CA -0.423 55.648 56.048 0.038 0.000 1.466 268 H CB 0.934 30.688 29.762 -0.014 0.000 1.597 268 H HN 0.610 nan 8.280 nan 0.000 0.512 269 D N 3.189 123.428 120.400 -0.268 0.000 2.677 269 D HA 0.075 4.954 4.640 0.398 0.000 0.298 269 D C -0.720 175.447 176.300 -0.222 0.000 1.250 269 D CA -0.513 53.399 54.000 -0.145 0.000 0.888 269 D CB 1.356 42.167 40.800 0.019 0.000 1.397 269 D HN 0.308 nan 8.370 nan 0.000 0.461 270 W N 1.455 122.673 121.300 -0.137 0.000 2.295 270 W HA 0.110 5.015 4.660 0.408 0.000 0.335 270 W C 1.423 177.905 176.519 -0.061 0.000 1.351 270 W CA -0.194 57.108 57.345 -0.073 0.000 1.273 270 W CB -0.162 29.345 29.460 0.079 0.000 1.214 270 W HN 0.337 nan 8.180 nan 0.000 0.563 271 F N 2.448 122.573 119.950 0.292 0.000 2.043 271 F HA -0.322 4.442 4.527 0.395 0.000 0.297 271 F C 2.347 178.272 175.800 0.210 0.000 1.121 271 F CA 2.346 60.537 58.000 0.318 0.000 1.199 271 F CB -1.435 37.675 39.000 0.183 0.000 0.968 271 F HN 0.494 nan 8.300 nan 0.000 0.478 272 A N 0.099 123.104 122.820 0.308 0.000 1.841 272 A HA -0.245 4.313 4.320 0.398 0.000 0.216 272 A C 2.395 180.119 177.584 0.234 0.000 1.199 272 A CA 2.792 54.868 52.037 0.065 0.000 0.621 272 A CB -1.453 17.251 19.000 -0.494 0.000 0.835 272 A HN 0.433 nan 8.150 nan 0.000 0.445 273 S N -1.149 114.775 115.700 0.372 0.000 2.383 273 S HA -0.137 4.572 4.470 0.398 0.000 0.227 273 S C 1.824 176.559 174.600 0.225 0.000 1.026 273 S CA 1.948 60.353 58.200 0.343 0.000 0.981 273 S CB -1.174 62.210 63.200 0.307 0.000 0.818 273 S HN 0.510 nan 8.310 nan 0.000 0.472 274 T N 2.554 117.191 114.554 0.139 0.000 2.777 274 T HA 0.169 4.757 4.350 0.398 0.000 0.266 274 T C 2.187 176.840 174.700 -0.079 0.000 1.040 274 T CA 1.264 63.346 62.100 -0.031 0.000 1.141 274 T CB -0.724 67.740 68.868 -0.673 0.000 0.868 274 T HN 0.628 nan 8.240 nan 0.000 0.444 275 A N 1.192 123.976 122.820 -0.061 0.000 2.015 275 A HA 0.117 4.676 4.320 0.398 0.000 0.219 275 A C 2.228 179.894 177.584 0.137 0.000 1.163 275 A CA 0.816 52.939 52.037 0.143 0.000 0.646 275 A CB -0.791 18.396 19.000 0.312 0.000 0.806 275 A HN 0.474 nan 8.150 nan 0.000 0.448 276 L N -1.798 119.472 121.223 0.078 0.000 2.187 276 L HA -0.183 4.396 4.340 0.398 0.000 0.213 276 L C 2.130 178.918 176.870 -0.138 0.000 1.100 276 L CA 0.994 55.811 54.840 -0.037 0.000 0.765 276 L CB -0.564 41.428 42.059 -0.111 0.000 0.904 276 L HN 0.391 nan 8.230 nan 0.000 0.437 277 F N 0.288 120.233 119.950 -0.009 0.000 2.307 277 F HA -0.201 4.569 4.527 0.406 0.000 0.301 277 F C 2.380 178.109 175.800 -0.118 0.000 1.076 277 F CA 1.023 58.975 58.000 -0.080 0.000 1.383 277 F CB -0.512 38.452 39.000 -0.059 0.000 1.055 277 F HN 0.207 nan 8.300 nan 0.000 0.526 278 N N 0.257 119.078 118.700 0.202 0.000 2.188 278 N HA -0.155 4.824 4.740 0.398 0.000 0.184 278 N C 1.340 176.901 175.510 0.086 0.000 1.018 278 N CA 1.540 54.738 53.050 0.245 0.000 0.858 278 N CB -0.348 38.277 38.487 0.231 0.000 0.989 278 N HN 0.297 nan 8.380 nan 0.000 0.426 279 D N 0.731 121.146 120.400 0.024 0.000 2.162 279 D HA 0.034 4.912 4.640 0.398 0.000 0.203 279 D C 1.759 178.021 176.300 -0.064 0.000 0.967 279 D CA 0.555 54.547 54.000 -0.013 0.000 0.840 279 D CB -0.202 40.587 40.800 -0.018 0.000 0.972 279 D HN 0.171 nan 8.370 nan 0.000 0.482 280 A N 0.301 123.047 122.820 -0.123 0.000 2.014 280 A HA 0.001 4.560 4.320 0.398 0.000 0.218 280 A C 2.070 179.575 177.584 -0.132 0.000 1.163 280 A CA 0.719 52.664 52.037 -0.153 0.000 0.652 280 A CB -0.329 18.515 19.000 -0.260 0.000 0.808 280 A HN 0.205 nan 8.150 nan 0.000 0.449 281 L N -0.112 121.004 121.223 -0.178 0.000 2.664 281 L HA 0.018 4.597 4.340 0.398 0.000 0.233 281 L C 2.444 179.239 176.870 -0.124 0.000 1.113 281 L CA 0.712 55.413 54.840 -0.232 0.000 0.896 281 L CB -0.010 41.687 42.059 -0.604 0.000 1.163 281 L HN 0.481 nan 8.230 nan 0.000 0.497 282 S N 0.448 116.119 115.700 -0.049 0.000 2.387 282 S HA -0.312 4.396 4.470 0.398 0.000 0.230 282 S C 1.938 176.547 174.600 0.014 0.000 1.035 282 S CA 1.708 59.920 58.200 0.019 0.000 1.014 282 S CB -0.260 62.957 63.200 0.028 0.000 0.836 282 S HN 0.460 nan 8.310 nan 0.000 0.466 283 K N 1.446 121.841 120.400 -0.008 0.000 2.103 283 K HA -0.012 4.547 4.320 0.398 0.000 0.204 283 K C 1.434 178.035 176.600 0.003 0.000 1.052 283 K CA 1.486 57.772 56.287 -0.002 0.000 0.945 283 K CB -0.179 32.314 32.500 -0.011 0.000 0.722 283 K HN 0.481 nan 8.250 nan 0.000 0.443 284 N N -0.119 118.576 118.700 -0.009 0.000 2.368 284 N HA 0.102 5.080 4.740 0.398 0.000 0.176 284 N C -0.087 175.438 175.510 0.025 0.000 1.021 284 N CA 0.661 53.712 53.050 0.002 0.000 0.888 284 N CB 0.601 39.080 38.487 -0.014 0.000 0.995 284 N HN 0.081 nan 8.380 nan 0.000 0.437 285 I N 0.662 121.251 120.570 0.033 0.000 2.668 285 I HA 0.258 4.667 4.170 0.398 0.000 0.276 285 I C -1.923 174.270 176.117 0.127 0.000 1.139 285 I CA -1.834 59.525 61.300 0.099 0.000 1.133 285 I CB 2.062 40.150 38.000 0.146 0.000 1.327 285 I HN -0.188 nan 8.210 nan 0.000 0.520 286 P HA -0.235 nan 4.420 nan 0.000 0.218 286 P C 1.628 178.992 177.300 0.107 0.000 1.165 286 P CA 1.672 64.824 63.100 0.086 0.000 0.922 286 P CB 0.208 31.948 31.700 0.066 0.000 0.794 287 G N -2.461 106.407 108.800 0.113 0.000 2.848 287 G HA2 -0.111 4.087 3.960 0.398 0.000 0.208 287 G HA3 -0.111 4.087 3.960 0.398 0.000 0.208 287 G C 0.134 175.090 174.900 0.094 0.000 1.152 287 G CA -0.454 44.703 45.100 0.096 0.000 0.789 287 G HN 0.179 nan 8.290 nan 0.000 0.531 288 F N 1.520 121.463 119.950 -0.011 0.000 2.580 288 F HA 0.183 4.949 4.527 0.399 0.000 0.398 288 F C 0.703 176.460 175.800 -0.073 0.000 1.023 288 F CA 0.387 58.344 58.000 -0.071 0.000 1.188 288 F CB 0.461 39.421 39.000 -0.067 0.000 1.005 288 F HN -0.045 nan 8.300 nan 0.000 0.546 289 K N 7.520 127.575 120.400 -0.575 0.000 2.740 289 K HA 0.332 4.891 4.320 0.398 0.000 0.246 289 K C -2.062 174.232 176.600 -0.511 0.000 1.021 289 K CA -0.841 55.244 56.287 -0.337 0.000 1.021 289 K CB 0.734 33.146 32.500 -0.147 0.000 1.233 289 K HN 0.596 nan 8.250 nan 0.000 0.497 290 L N 5.755 126.699 121.223 -0.465 0.000 2.265 290 L HA 0.467 5.045 4.340 0.398 0.000 0.289 290 L C -0.889 176.033 176.870 0.087 0.000 1.033 290 L CA -0.459 54.190 54.840 -0.317 0.000 0.814 290 L CB 1.334 43.166 42.059 -0.379 0.000 1.203 290 L HN 0.347 nan 8.230 nan 0.000 0.423 291 V N 4.003 123.975 119.914 0.097 0.000 2.864 291 V HA 0.814 5.173 4.120 0.398 0.000 0.314 291 V C -2.643 173.393 176.094 -0.098 0.000 1.073 291 V CA -2.025 60.329 62.300 0.089 0.000 0.956 291 V CB 1.677 33.517 31.823 0.028 0.000 1.023 291 V HN 0.701 nan 8.190 nan 0.000 0.435 292 P HA 0.383 nan 4.420 nan 0.000 0.275 292 P C -0.873 176.381 177.300 -0.076 0.000 1.228 292 P CA -0.228 62.537 63.100 -0.558 0.000 0.786 292 P CB 1.161 32.617 31.700 -0.407 0.000 0.927 293 M N 0.380 120.024 119.600 0.073 0.000 2.501 293 M HA 0.749 5.468 4.480 0.398 0.000 0.293 293 M C -0.783 175.674 176.300 0.261 0.000 1.192 293 M CA -1.164 54.225 55.300 0.149 0.000 0.886 293 M CB 2.325 34.983 32.600 0.096 0.000 1.710 293 M HN 0.201 nan 8.290 nan 0.000 0.457 294 A N 2.113 125.002 122.820 0.115 0.000 2.466 294 A HA 0.606 5.164 4.320 0.398 0.000 0.238 294 A C -2.508 174.914 177.584 -0.270 0.000 1.074 294 A CA -0.981 50.949 52.037 -0.180 0.000 0.774 294 A CB -0.891 17.938 19.000 -0.286 0.000 1.015 294 A HN 0.637 nan 8.150 nan 0.000 0.498 295 P HA 0.147 nan 4.420 nan 0.000 0.266 295 P C -2.374 174.639 177.300 -0.478 0.000 1.195 295 P CA -0.634 62.222 63.100 -0.407 0.000 0.768 295 P CB 0.096 31.675 31.700 -0.202 0.000 0.838 296 P HA 0.132 nan 4.420 nan 0.000 0.274 296 P C -0.180 176.835 177.300 -0.474 0.000 1.231 296 P CA -0.013 62.774 63.100 -0.522 0.000 0.790 296 P CB 0.641 31.917 31.700 -0.708 0.000 0.951 297 I N 2.571 122.914 120.570 -0.379 0.000 2.587 297 I HA -0.058 4.351 4.170 0.398 0.000 0.284 297 I C 1.507 177.365 176.117 -0.430 0.000 1.134 297 I CA 0.067 61.165 61.300 -0.336 0.000 1.410 297 I CB -0.396 37.459 38.000 -0.242 0.000 1.392 297 I HN 0.454 nan 8.210 nan 0.000 0.545 298 N N 4.044 122.448 118.700 -0.494 0.000 2.374 298 N HA 0.044 5.023 4.740 0.398 0.000 0.284 298 N C 0.988 176.215 175.510 -0.473 0.000 1.280 298 N CA -0.233 52.467 53.050 -0.583 0.000 0.963 298 N CB 0.109 38.157 38.487 -0.732 0.000 1.141 298 N HN 0.533 nan 8.380 nan 0.000 0.565 299 S N -1.806 113.613 115.700 -0.467 0.000 2.507 299 S HA -0.067 4.642 4.470 0.398 0.000 0.235 299 S C 0.874 175.337 174.600 -0.229 0.000 0.988 299 S CA 0.659 58.683 58.200 -0.294 0.000 0.944 299 S CB -0.447 62.638 63.200 -0.192 0.000 0.762 299 S HN 0.601 nan 8.310 nan 0.000 0.526 300 K N 0.544 120.763 120.400 -0.302 0.000 2.397 300 K HA 0.303 4.862 4.320 0.398 0.000 0.202 300 K C 1.032 177.536 176.600 -0.161 0.000 1.022 300 K CA 0.281 56.450 56.287 -0.196 0.000 1.141 300 K CB 0.066 32.455 32.500 -0.184 0.000 0.857 300 K HN 0.491 nan 8.250 nan 0.000 0.514 301 G N 1.770 110.448 108.800 -0.202 0.000 2.153 301 G HA2 -0.304 3.894 3.960 0.398 0.000 0.252 301 G HA3 -0.304 3.894 3.960 0.398 0.000 0.252 301 G C -0.204 174.616 174.900 -0.133 0.000 0.994 301 G CA 0.349 45.360 45.100 -0.149 0.000 0.698 301 G HN 0.393 nan 8.290 nan 0.000 0.521 302 Q N -1.191 118.481 119.800 -0.213 0.000 2.413 302 Q HA 0.638 5.217 4.340 0.398 0.000 0.276 302 Q C -0.055 175.814 176.000 -0.219 0.000 1.099 302 Q CA -0.993 54.742 55.803 -0.114 0.000 0.814 302 Q CB 1.652 30.461 28.738 0.119 0.000 1.379 302 Q HN 0.325 nan 8.270 nan 0.000 0.436 303 R N 1.137 121.621 120.500 -0.027 0.000 2.215 303 R HA 0.289 4.867 4.340 0.398 0.000 0.337 303 R C -1.187 175.225 176.300 0.187 0.000 1.010 303 R CA -0.390 55.654 56.100 -0.094 0.000 0.871 303 R CB 0.656 30.814 30.300 -0.238 0.000 1.134 303 R HN 0.374 nan 8.270 nan 0.000 0.477 304 W N 1.739 123.013 121.300 -0.044 0.000 2.433 304 W HA 0.246 5.144 4.660 0.397 0.000 0.315 304 W C 0.360 176.963 176.519 0.141 0.000 1.087 304 W CA -0.974 56.401 57.345 0.050 0.000 1.205 304 W CB 1.023 30.510 29.460 0.046 0.000 1.288 304 W HN 0.342 nan 8.180 nan 0.000 0.504 305 E N 1.905 122.335 120.200 0.383 0.000 2.255 305 E HA 0.100 4.689 4.350 0.398 0.000 0.245 305 E C 0.604 177.367 176.600 0.271 0.000 0.909 305 E CA -0.135 56.508 56.400 0.406 0.000 0.747 305 E CB 0.809 30.797 29.700 0.479 0.000 1.215 305 E HN 0.557 nan 8.360 nan 0.000 0.424 306 E N 2.747 123.090 120.200 0.237 0.000 2.274 306 E HA -0.095 4.493 4.350 0.398 0.000 0.194 306 E C -0.228 176.443 176.600 0.118 0.000 0.996 306 E CA 0.442 56.918 56.400 0.127 0.000 0.840 306 E CB 0.347 30.128 29.700 0.135 0.000 0.772 306 E HN 0.469 nan 8.360 nan 0.000 0.491 307 D N -0.546 119.945 120.400 0.151 0.000 2.225 307 D HA 0.513 5.392 4.640 0.398 0.000 0.249 307 D C -1.286 175.026 176.300 0.020 0.000 1.052 307 D CA -0.120 53.913 54.000 0.055 0.000 0.909 307 D CB 1.603 42.400 40.800 -0.006 0.000 1.186 307 D HN 0.153 nan 8.370 nan 0.000 0.431 308 A N 2.537 125.339 122.820 -0.030 0.000 2.612 308 A HA 0.543 5.102 4.320 0.398 0.000 0.293 308 A C -0.623 176.938 177.584 -0.037 0.000 1.075 308 A CA -0.790 51.236 52.037 -0.019 0.000 0.680 308 A CB 1.154 20.176 19.000 0.038 0.000 1.279 308 A HN 0.550 nan 8.150 nan 0.000 0.411 309 R N 0.593 121.090 120.500 -0.004 0.000 2.570 309 R HA 0.183 4.761 4.340 0.398 0.000 0.277 309 R C -0.057 176.283 176.300 0.066 0.000 1.039 309 R CA 0.370 56.517 56.100 0.080 0.000 1.065 309 R CB 0.331 30.721 30.300 0.150 0.000 0.964 309 R HN 0.741 nan 8.270 nan 0.000 0.428 310 Q N 4.798 124.637 119.800 0.065 0.000 2.347 310 Q HA 0.323 4.902 4.340 0.398 0.000 0.262 310 Q C -1.153 174.845 176.000 -0.004 0.000 0.980 310 Q CA -0.464 55.361 55.803 0.035 0.000 0.867 310 Q CB 0.966 29.728 28.738 0.040 0.000 1.242 310 Q HN 0.579 nan 8.270 nan 0.000 0.453 311 I N 7.416 127.994 120.570 0.013 0.000 2.382 311 I HA 0.407 4.816 4.170 0.398 0.000 0.285 311 I C -1.971 174.161 176.117 0.025 0.000 1.007 311 I CA -1.925 59.377 61.300 0.003 0.000 1.142 311 I CB 1.341 39.367 38.000 0.042 0.000 1.289 311 I HN 0.594 nan 8.210 nan 0.000 0.453 312 P HA 0.459 nan 4.420 nan 0.000 0.284 312 P C -0.775 176.520 177.300 -0.008 0.000 1.292 312 P CA -0.759 62.334 63.100 -0.012 0.000 0.800 312 P CB 1.428 33.159 31.700 0.052 0.000 1.188 313 R N 0.180 120.645 120.500 -0.058 0.000 2.573 313 R HA 0.328 4.906 4.340 0.398 0.000 0.272 313 R C -1.743 174.649 176.300 0.152 0.000 1.009 313 R CA -1.880 54.229 56.100 0.015 0.000 1.059 313 R CB 0.914 31.176 30.300 -0.064 0.000 1.112 313 R HN 0.379 nan 8.270 nan 0.000 0.517 314 P HA 0.051 nan 4.420 nan 0.000 0.246 314 P C -1.185 176.206 177.300 0.152 0.000 1.686 314 P CA 0.321 63.528 63.100 0.178 0.000 0.867 314 P CB 0.147 31.936 31.700 0.148 0.000 1.733 315 D N -0.421 120.125 120.400 0.243 0.000 2.423 315 D HA 0.695 5.574 4.640 0.398 0.000 0.235 315 D C 0.888 177.404 176.300 0.359 0.000 1.011 315 D CA -0.222 53.933 54.000 0.258 0.000 0.963 315 D CB 2.355 43.343 40.800 0.313 0.000 1.349 315 D HN 0.188 nan 8.370 nan 0.000 0.508 316 G N -0.671 108.327 108.800 0.330 0.000 2.332 316 G HA2 0.326 4.524 3.960 0.398 0.000 0.265 316 G HA3 0.326 4.524 3.960 0.398 0.000 0.265 316 G C -2.178 172.955 174.900 0.389 0.000 1.329 316 G CA -0.545 44.729 45.100 0.290 0.000 0.949 316 G HN 0.456 nan 8.290 nan 0.000 0.476 317 W N -0.536 120.774 121.300 0.017 0.000 3.083 317 W HA 0.983 5.884 4.660 0.402 0.000 0.333 317 W C -0.283 175.964 176.519 -0.453 0.000 1.217 317 W CA -2.137 55.105 57.345 -0.172 0.000 1.170 317 W CB 0.886 30.252 29.460 -0.156 0.000 1.437 317 W HN 1.754 nan 8.180 nan 0.000 0.557 318 A N 1.808 124.436 122.820 -0.320 0.000 2.485 318 A HA 0.892 5.450 4.320 0.398 0.000 0.292 318 A C -1.503 176.100 177.584 0.033 0.000 1.147 318 A CA -1.125 50.717 52.037 -0.325 0.000 0.750 318 A CB 1.408 19.798 19.000 -1.017 0.000 1.331 318 A HN 0.641 nan 8.150 nan 0.000 0.419 319 I N 1.561 122.216 120.570 0.142 0.000 2.377 319 I HA 0.358 4.767 4.170 0.398 0.000 0.293 319 I C 0.887 177.204 176.117 0.333 0.000 0.987 319 I CA -0.464 60.928 61.300 0.152 0.000 1.185 319 I CB 1.996 40.005 38.000 0.015 0.000 1.341 319 I HN 0.829 nan 8.210 nan 0.000 0.455 320 T N 2.120 116.843 114.554 0.281 0.000 2.849 320 T HA 0.364 4.953 4.350 0.398 0.000 0.284 320 T C 1.097 175.847 174.700 0.083 0.000 1.004 320 T CA -0.281 61.939 62.100 0.201 0.000 1.021 320 T CB 1.648 70.558 68.868 0.071 0.000 1.013 320 T HN 0.666 nan 8.240 nan 0.000 0.527 321 A N 0.701 123.530 122.820 0.016 0.000 2.168 321 A HA 0.099 4.657 4.320 0.398 0.000 0.215 321 A C 2.303 179.881 177.584 -0.010 0.000 1.152 321 A CA 1.236 53.279 52.037 0.010 0.000 0.716 321 A CB -1.217 17.777 19.000 -0.010 0.000 0.794 321 A HN 1.059 nan 8.150 nan 0.000 0.465 322 T N -2.632 111.907 114.554 -0.024 0.000 3.081 322 T HA 0.040 4.629 4.350 0.398 0.000 0.250 322 T C 0.673 175.358 174.700 -0.026 0.000 1.100 322 T CA -0.019 62.063 62.100 -0.029 0.000 1.038 322 T CB -0.472 68.371 68.868 -0.042 0.000 0.962 322 T HN 0.293 nan 8.240 nan 0.000 0.516 323 N N 2.391 121.078 118.700 -0.020 0.000 2.427 323 N HA 0.036 5.014 4.740 0.398 0.000 0.269 323 N C 0.687 176.171 175.510 -0.043 0.000 1.235 323 N CA -0.083 52.944 53.050 -0.038 0.000 0.934 323 N CB 0.811 39.269 38.487 -0.049 0.000 1.121 323 N HN 0.155 nan 8.380 nan 0.000 0.480 324 K N 2.179 122.552 120.400 -0.046 0.000 2.486 324 K HA 0.083 4.641 4.320 0.398 0.000 0.194 324 K C -0.178 176.391 176.600 -0.052 0.000 1.033 324 K CA 0.394 56.656 56.287 -0.042 0.000 1.004 324 K CB 0.187 32.665 32.500 -0.038 0.000 0.798 324 K HN 0.497 nan 8.250 nan 0.000 0.495 325 N N 1.348 120.005 118.700 -0.072 0.000 2.757 325 N HA 0.101 5.080 4.740 0.398 0.000 0.296 325 N C -2.119 173.322 175.510 -0.115 0.000 1.874 325 N CA -1.014 51.984 53.050 -0.086 0.000 0.885 325 N CB 1.499 39.929 38.487 -0.094 0.000 1.242 325 N HN -0.035 nan 8.380 nan 0.000 0.488 326 P HA -0.092 nan 4.420 nan 0.000 0.216 326 P C 1.502 178.726 177.300 -0.128 0.000 1.153 326 P CA 0.806 63.836 63.100 -0.116 0.000 0.848 326 P CB 0.648 32.310 31.700 -0.065 0.000 0.787 327 V N 0.530 120.392 119.914 -0.087 0.000 2.427 327 V HA -0.185 4.174 4.120 0.398 0.000 0.248 327 V C 2.524 178.566 176.094 -0.086 0.000 1.051 327 V CA 2.012 64.271 62.300 -0.069 0.000 1.048 327 V CB -1.378 30.422 31.823 -0.038 0.000 0.666 327 V HN 0.066 nan 8.190 nan 0.000 0.456 328 E N 0.067 120.205 120.200 -0.103 0.000 2.106 328 E HA -0.129 4.460 4.350 0.398 0.000 0.192 328 E C 2.301 178.794 176.600 -0.178 0.000 0.984 328 E CA 1.593 57.927 56.400 -0.110 0.000 0.806 328 E CB -0.526 29.108 29.700 -0.111 0.000 0.750 328 E HN 0.553 nan 8.360 nan 0.000 0.458 329 T N 0.839 115.229 114.554 -0.274 0.000 2.708 329 T HA -0.143 4.446 4.350 0.398 0.000 0.266 329 T C 1.846 176.139 174.700 -0.679 0.000 1.037 329 T CA 1.019 62.804 62.100 -0.525 0.000 1.146 329 T CB -0.264 68.241 68.868 -0.605 0.000 0.865 329 T HN 0.069 nan 8.240 nan 0.000 0.435 330 I N 0.973 121.295 120.570 -0.413 0.000 2.394 330 I HA -0.068 4.340 4.170 0.398 0.000 0.251 330 I C 2.068 178.182 176.117 -0.005 0.000 1.136 330 I CA 1.405 62.582 61.300 -0.206 0.000 1.425 330 I CB -0.195 37.766 38.000 -0.065 0.000 1.079 330 I HN 0.086 nan 8.210 nan 0.000 0.425 331 K N -0.228 120.161 120.400 -0.019 0.000 2.103 331 K HA -0.097 4.462 4.320 0.398 0.000 0.204 331 K C 2.023 178.728 176.600 0.174 0.000 1.052 331 K CA 1.073 57.410 56.287 0.084 0.000 0.945 331 K CB -0.348 32.180 32.500 0.047 0.000 0.722 331 K HN 0.326 nan 8.250 nan 0.000 0.443 332 L N 0.886 122.168 121.223 0.099 0.000 2.046 332 L HA -0.150 4.429 4.340 0.398 0.000 0.208 332 L C 1.880 179.123 176.870 0.621 0.000 1.077 332 L CA 1.775 56.759 54.840 0.240 0.000 0.747 332 L CB -0.727 41.382 42.059 0.083 0.000 0.896 332 L HN 0.229 nan 8.230 nan 0.000 0.432 333 F N 0.484 120.614 119.950 0.300 0.000 2.134 333 F HA -0.284 4.481 4.527 0.398 0.000 0.299 333 F C 2.382 178.512 175.800 0.551 0.000 1.097 333 F CA 1.018 59.291 58.000 0.454 0.000 1.264 333 F CB -0.192 38.919 39.000 0.186 0.000 1.001 333 F HN 0.248 nan 8.300 nan 0.000 0.479 334 D N 0.298 121.032 120.400 0.557 0.000 2.178 334 D HA -0.229 4.650 4.640 0.398 0.000 0.201 334 D C 1.874 178.457 176.300 0.472 0.000 0.980 334 D CA 0.755 55.006 54.000 0.418 0.000 0.842 334 D CB -0.329 40.632 40.800 0.267 0.000 0.948 334 D HN 0.205 nan 8.370 nan 0.000 0.472 335 F N -0.025 120.129 119.950 0.341 0.000 2.161 335 F HA -0.228 4.535 4.527 0.392 0.000 0.300 335 F C 1.486 177.406 175.800 0.200 0.000 1.089 335 F CA 1.339 59.464 58.000 0.208 0.000 1.282 335 F CB -0.598 38.464 39.000 0.103 0.000 1.010 335 F HN 0.032 nan 8.300 nan 0.000 0.485 336 Y N -1.540 118.922 120.300 0.270 0.000 2.497 336 Y HA -0.147 4.638 4.550 0.392 0.000 0.292 336 Y C 1.492 177.357 175.900 -0.058 0.000 1.137 336 Y CA 1.095 59.247 58.100 0.086 0.000 1.285 336 Y CB -0.565 38.068 38.460 0.288 0.000 0.991 336 Y HN 0.035 nan 8.280 nan 0.000 0.556 337 F N -0.830 119.194 119.950 0.123 0.000 2.664 337 F HA 0.309 5.080 4.527 0.406 0.000 0.303 337 F C 1.472 177.307 175.800 0.058 0.000 1.092 337 F CA -0.458 57.591 58.000 0.082 0.000 1.305 337 F CB -0.296 38.712 39.000 0.013 0.000 1.054 337 F HN -0.194 nan 8.300 nan 0.000 0.565 338 G N 0.634 109.472 108.800 0.062 0.000 2.502 338 G HA2 0.279 4.478 3.960 0.398 0.000 0.305 338 G HA3 0.279 4.478 3.960 0.398 0.000 0.305 338 G C -1.515 173.335 174.900 -0.083 0.000 1.190 338 G CA -1.085 44.018 45.100 0.006 0.000 0.933 338 G HN -0.104 nan 8.290 nan 0.000 0.503 339 P HA -0.109 nan 4.420 nan 0.000 0.215 339 P C 1.232 178.460 177.300 -0.120 0.000 1.157 339 P CA 1.222 64.279 63.100 -0.073 0.000 0.868 339 P CB 0.318 31.999 31.700 -0.032 0.000 0.788 340 K N -0.096 120.221 120.400 -0.138 0.000 2.103 340 K HA 0.030 4.589 4.320 0.398 0.000 0.204 340 K C 2.426 178.859 176.600 -0.278 0.000 1.052 340 K CA 1.548 57.760 56.287 -0.126 0.000 0.945 340 K CB -1.456 31.041 32.500 -0.006 0.000 0.722 340 K HN 0.164 nan 8.250 nan 0.000 0.443 341 G N 0.424 108.808 108.800 -0.694 0.000 2.402 341 G HA2 -0.281 3.918 3.960 0.398 0.000 0.216 341 G HA3 -0.281 3.918 3.960 0.398 0.000 0.216 341 G C 1.620 176.307 174.900 -0.354 0.000 1.162 341 G CA 0.716 45.240 45.100 -0.961 0.000 0.777 341 G HN 0.256 nan 8.290 nan 0.000 0.539 342 R N 0.381 120.737 120.500 -0.239 0.000 2.096 342 R HA -0.036 4.543 4.340 0.398 0.000 0.235 342 R C 2.383 178.648 176.300 -0.059 0.000 1.127 342 R CA 1.625 57.655 56.100 -0.117 0.000 0.968 342 R CB -0.310 29.899 30.300 -0.151 0.000 0.861 342 R HN 0.505 nan 8.270 nan 0.000 0.440 343 E N 0.366 120.523 120.200 -0.071 0.000 2.051 343 E HA -0.203 4.386 4.350 0.398 0.000 0.192 343 E C 2.044 178.652 176.600 0.013 0.000 0.991 343 E CA 1.362 57.750 56.400 -0.020 0.000 0.799 343 E CB -0.038 29.601 29.700 -0.101 0.000 0.748 343 E HN 0.366 nan 8.360 nan 0.000 0.449 344 L N 0.725 121.950 121.223 0.003 0.000 2.017 344 L HA -0.176 4.403 4.340 0.398 0.000 0.208 344 L C 2.747 179.594 176.870 -0.039 0.000 1.073 344 L CA 1.444 56.310 54.840 0.043 0.000 0.745 344 L CB -0.604 41.504 42.059 0.082 0.000 0.894 344 L HN 0.217 nan 8.230 nan 0.000 0.432 345 S N -1.025 114.640 115.700 -0.059 0.000 2.469 345 S HA -0.106 4.603 4.470 0.398 0.000 0.238 345 S C 1.571 175.939 174.600 -0.386 0.000 0.998 345 S CA 0.981 59.060 58.200 -0.201 0.000 0.957 345 S CB -0.310 62.847 63.200 -0.072 0.000 0.764 345 S HN 0.461 nan 8.310 nan 0.000 0.514 346 N N 0.104 118.655 118.700 -0.248 0.000 2.508 346 N HA 0.252 5.231 4.740 0.398 0.000 0.186 346 N C 0.721 175.854 175.510 -0.628 0.000 1.034 346 N CA 0.815 53.584 53.050 -0.468 0.000 0.885 346 N CB -0.051 38.202 38.487 -0.389 0.000 1.135 346 N HN 0.452 nan 8.380 nan 0.000 0.435 347 F N 0.607 120.312 119.950 -0.407 0.000 2.714 347 F HA 0.323 5.045 4.527 0.326 0.000 0.294 347 F C 1.743 177.419 175.800 -0.208 0.000 1.120 347 F CA 0.458 58.165 58.000 -0.488 0.000 1.398 347 F CB 0.273 38.513 39.000 -1.268 0.000 1.120 347 F HN 0.090 nan 8.300 nan 0.000 0.589 348 G N 0.175 108.995 108.800 0.033 0.000 2.545 348 G HA2 -0.104 4.095 3.960 0.398 0.000 0.211 348 G HA3 -0.104 4.095 3.960 0.398 0.000 0.211 348 G C -1.210 173.879 174.900 0.315 0.000 1.167 348 G CA -0.504 44.675 45.100 0.131 0.000 1.151 348 G HN -0.022 nan 8.290 nan 0.000 0.581 349 V N 3.491 123.597 119.914 0.320 0.000 2.540 349 V HA 0.597 4.955 4.120 0.398 0.000 0.302 349 V C -1.920 174.092 176.094 -0.137 0.000 1.035 349 V CA -1.038 61.364 62.300 0.169 0.000 0.873 349 V CB 2.110 33.968 31.823 0.059 0.000 0.992 349 V HN 0.672 nan 8.190 nan 0.000 0.428 350 P HA 0.190 nan 4.420 nan 0.000 0.266 350 P C 0.814 177.857 177.300 -0.428 0.000 1.215 350 P CA 1.198 63.742 63.100 -0.927 0.000 0.763 350 P CB 0.941 32.281 31.700 -0.600 0.000 0.806 351 G N 2.401 110.971 108.800 -0.384 0.000 2.213 351 G HA2 -0.270 3.929 3.960 0.398 0.000 0.226 351 G HA3 -0.270 3.929 3.960 0.398 0.000 0.226 351 G C 0.262 175.095 174.900 -0.112 0.000 0.992 351 G CA 0.286 45.273 45.100 -0.188 0.000 0.632 351 G HN 0.536 nan 8.290 nan 0.000 0.511 352 L N 0.639 121.799 121.223 -0.105 0.000 2.546 352 L HA 0.424 5.003 4.340 0.398 0.000 0.182 352 L C 2.784 179.675 176.870 0.033 0.000 1.167 352 L CA 2.954 57.781 54.840 -0.023 0.000 0.845 352 L CB -0.287 41.772 42.059 -0.000 0.000 1.134 352 L HN 0.411 nan 8.230 nan 0.000 0.500 353 T N -2.497 112.126 114.554 0.116 0.000 3.015 353 T HA 0.196 4.784 4.350 0.398 0.000 0.250 353 T C 0.065 175.009 174.700 0.406 0.000 1.057 353 T CA 0.558 62.809 62.100 0.252 0.000 1.066 353 T CB -0.168 68.895 68.868 0.325 0.000 0.959 353 T HN 0.380 nan 8.240 nan 0.000 0.488 354 Y N -0.825 119.528 120.300 0.088 0.000 2.705 354 Y HA 0.804 5.488 4.550 0.222 0.000 0.332 354 Y C -2.054 173.824 175.900 -0.038 0.000 1.221 354 Y CA -1.972 56.141 58.100 0.022 0.000 1.059 354 Y CB 0.845 39.236 38.460 -0.114 0.000 1.298 354 Y HN -0.147 nan 8.280 nan 0.000 0.459 355 D N 1.252 121.613 120.400 -0.066 0.000 2.645 355 D HA 0.379 5.258 4.640 0.398 0.000 0.228 355 D C -0.973 175.292 176.300 -0.058 0.000 1.148 355 D CA -0.313 53.589 54.000 -0.163 0.000 0.860 355 D CB 3.011 43.762 40.800 -0.082 0.000 1.548 355 D HN 0.456 nan 8.370 nan 0.000 0.460 356 I N 1.585 122.100 120.570 -0.091 0.000 2.337 356 I HA 0.190 4.599 4.170 0.398 0.000 0.291 356 I C 0.317 176.405 176.117 -0.049 0.000 1.046 356 I CA 0.033 61.300 61.300 -0.055 0.000 1.324 356 I CB 0.128 38.093 38.000 -0.059 0.000 1.409 356 I HN 0.077 nan 8.210 nan 0.000 0.494 357 K N 5.499 125.874 120.400 -0.042 0.000 2.471 357 K HA 0.239 4.798 4.320 0.398 0.000 0.252 357 K C 0.433 177.014 176.600 -0.031 0.000 0.938 357 K CA -0.667 55.602 56.287 -0.031 0.000 0.796 357 K CB 1.812 34.301 32.500 -0.019 0.000 1.161 357 K HN 0.552 nan 8.250 nan 0.000 0.425 358 N N 1.698 120.383 118.700 -0.026 0.000 2.741 358 N HA -0.229 4.750 4.740 0.398 0.000 0.251 358 N C 0.432 175.923 175.510 -0.031 0.000 1.112 358 N CA 1.478 54.514 53.050 -0.024 0.000 0.750 358 N CB -0.798 37.678 38.487 -0.019 0.000 1.119 358 N HN 1.121 nan 8.380 nan 0.000 0.561 359 G N -0.820 107.957 108.800 -0.038 0.000 2.184 359 G HA2 -0.318 3.881 3.960 0.398 0.000 0.264 359 G HA3 -0.318 3.881 3.960 0.398 0.000 0.264 359 G C -0.097 174.763 174.900 -0.066 0.000 0.975 359 G CA 1.007 46.080 45.100 -0.045 0.000 0.642 359 G HN 0.613 nan 8.290 nan 0.000 0.536 360 K N 1.214 121.568 120.400 -0.077 0.000 2.207 360 K HA 0.477 5.036 4.320 0.398 0.000 0.255 360 K C -2.591 173.902 176.600 -0.178 0.000 0.941 360 K CA -2.077 54.135 56.287 -0.125 0.000 0.825 360 K CB 2.549 34.990 32.500 -0.098 0.000 1.119 360 K HN -0.007 nan 8.250 nan 0.000 0.430 361 P HA 0.045 nan 4.420 nan 0.000 0.271 361 P C -0.724 176.327 177.300 -0.416 0.000 1.233 361 P CA -0.157 62.630 63.100 -0.520 0.000 0.764 361 P CB 0.633 31.436 31.700 -1.494 0.000 0.825 362 V N 5.954 125.791 119.914 -0.129 0.000 2.483 362 V HA 0.185 4.543 4.120 0.398 0.000 0.297 362 V C -0.079 176.076 176.094 0.101 0.000 1.027 362 V CA -0.807 61.481 62.300 -0.019 0.000 0.855 362 V CB 0.849 32.683 31.823 0.018 0.000 0.995 362 V HN 0.370 nan 8.190 nan 0.000 0.424 363 Y N 3.344 123.763 120.300 0.199 0.000 2.702 363 Y HA 0.109 4.743 4.550 0.140 0.000 0.336 363 Y C 1.151 177.120 175.900 0.115 0.000 1.235 363 Y CA 0.171 58.389 58.100 0.196 0.000 1.492 363 Y CB 0.399 38.961 38.460 0.171 0.000 1.308 363 Y HN 0.504 nan 8.280 nan 0.000 0.589 364 K N 2.468 123.048 120.400 0.300 0.000 2.258 364 K HA -0.018 4.541 4.320 0.398 0.000 0.264 364 K C 0.563 177.226 176.600 0.105 0.000 1.007 364 K CA -0.384 55.992 56.287 0.149 0.000 0.941 364 K CB 0.516 33.077 32.500 0.102 0.000 0.966 364 K HN 0.651 nan 8.250 nan 0.000 0.480 365 D N 0.920 121.357 120.400 0.062 0.000 2.218 365 D HA -0.140 4.739 4.640 0.398 0.000 0.204 365 D C 1.708 178.010 176.300 0.004 0.000 0.976 365 D CA 1.652 55.672 54.000 0.033 0.000 0.853 365 D CB -0.067 40.747 40.800 0.023 0.000 0.939 365 D HN 0.705 nan 8.370 nan 0.000 0.481 366 T N -1.393 113.162 114.554 0.002 0.000 2.867 366 T HA -0.078 4.511 4.350 0.398 0.000 0.268 366 T C 2.200 176.867 174.700 -0.055 0.000 1.057 366 T CA 0.668 62.755 62.100 -0.022 0.000 1.136 366 T CB -0.490 68.369 68.868 -0.015 0.000 0.874 366 T HN -0.029 nan 8.240 nan 0.000 0.466 367 V N 1.457 121.337 119.914 -0.057 0.000 2.346 367 V HA 0.090 4.449 4.120 0.398 0.000 0.244 367 V C 2.697 178.670 176.094 -0.202 0.000 1.037 367 V CA 1.097 63.306 62.300 -0.151 0.000 1.029 367 V CB -0.617 31.104 31.823 -0.171 0.000 0.663 367 V HN 0.437 nan 8.190 nan 0.000 0.454 368 L N -0.334 120.816 121.223 -0.121 0.000 2.201 368 L HA -0.110 4.469 4.340 0.398 0.000 0.212 368 L C 2.191 179.014 176.870 -0.080 0.000 1.105 368 L CA 1.424 56.208 54.840 -0.093 0.000 0.775 368 L CB -0.507 41.555 42.059 0.005 0.000 0.913 368 L HN 0.320 nan 8.230 nan 0.000 0.440 369 K N 0.121 120.478 120.400 -0.072 0.000 2.367 369 K HA 0.235 4.794 4.320 0.398 0.000 0.194 369 K C 0.913 177.458 176.600 -0.091 0.000 1.027 369 K CA -0.078 56.170 56.287 -0.064 0.000 1.075 369 K CB 0.335 32.811 32.500 -0.041 0.000 0.845 369 K HN 0.155 nan 8.250 nan 0.000 0.529 370 A N 1.123 123.869 122.820 -0.123 0.000 2.492 370 A HA 0.255 4.814 4.320 0.398 0.000 0.236 370 A C 1.354 178.842 177.584 -0.161 0.000 1.078 370 A CA 0.624 52.578 52.037 -0.139 0.000 0.773 370 A CB 0.243 19.140 19.000 -0.170 0.000 1.023 370 A HN 0.305 nan 8.150 nan 0.000 0.504 371 A N 0.086 122.817 122.820 -0.149 0.000 2.016 371 A HA 0.109 4.668 4.320 0.398 0.000 0.217 371 A C 1.306 178.752 177.584 -0.231 0.000 1.162 371 A CA 1.392 53.327 52.037 -0.170 0.000 0.662 371 A CB -0.298 18.630 19.000 -0.121 0.000 0.812 371 A HN 0.842 nan 8.150 nan 0.000 0.450 372 Q N 0.571 120.242 119.800 -0.216 0.000 2.286 372 Q HA 0.375 4.954 4.340 0.398 0.000 0.257 372 Q C -2.694 173.096 176.000 -0.350 0.000 0.941 372 Q CA -2.349 53.308 55.803 -0.243 0.000 0.912 372 Q CB 0.622 29.248 28.738 -0.188 0.000 1.192 372 Q HN 0.143 nan 8.270 nan 0.000 0.410 373 P HA -0.112 nan 4.420 nan 0.000 0.267 373 P C 0.169 176.998 177.300 -0.784 0.000 1.201 373 P CA -0.042 62.745 63.100 -0.523 0.000 0.775 373 P CB 0.609 32.088 31.700 -0.368 0.000 0.854 374 V N 1.723 120.847 119.914 -1.317 0.000 2.407 374 V HA -0.262 4.097 4.120 0.398 0.000 0.248 374 V C 2.053 177.455 176.094 -1.154 0.000 1.055 374 V CA 2.372 63.809 62.300 -1.439 0.000 1.049 374 V CB -1.294 29.191 31.823 -2.231 0.000 0.662 374 V HN 0.667 nan 8.190 nan 0.000 0.455 375 N N 0.650 118.646 118.700 -1.172 0.000 2.188 375 N HA -0.174 4.804 4.740 0.398 0.000 0.184 375 N C 1.470 176.172 175.510 -1.347 0.000 1.018 375 N CA 1.605 54.119 53.050 -0.894 0.000 0.858 375 N CB -0.965 37.227 38.487 -0.492 0.000 0.989 375 N HN 0.423 nan 8.380 nan 0.000 0.426 376 N N 0.888 119.046 118.700 -0.904 0.000 2.149 376 N HA -0.119 4.860 4.740 0.398 0.000 0.188 376 N C 1.582 176.818 175.510 -0.457 0.000 1.019 376 N CA 1.006 53.724 53.050 -0.553 0.000 0.857 376 N CB -0.128 38.248 38.487 -0.187 0.000 0.997 376 N HN 0.555 nan 8.380 nan 0.000 0.426 377 Q N -0.261 119.243 119.800 -0.494 0.000 2.119 377 Q HA -0.008 4.571 4.340 0.398 0.000 0.201 377 Q C 1.987 177.760 176.000 -0.377 0.000 0.972 377 Q CA 0.924 56.505 55.803 -0.369 0.000 0.847 377 Q CB 0.009 28.510 28.738 -0.395 0.000 0.903 377 Q HN 0.325 nan 8.270 nan 0.000 0.433 378 M N -0.564 118.723 119.600 -0.521 0.000 2.132 378 M HA -0.134 4.585 4.480 0.398 0.000 0.263 378 M C 1.882 177.897 176.300 -0.475 0.000 1.065 378 M CA 1.476 56.490 55.300 -0.476 0.000 1.122 378 M CB -0.903 31.378 32.600 -0.531 0.000 1.365 378 M HN 0.203 nan 8.290 nan 0.000 0.411 379 Y N 1.225 121.212 120.300 -0.522 0.000 2.207 379 Y HA -0.220 4.579 4.550 0.414 0.000 0.287 379 Y C 2.237 177.788 175.900 -0.583 0.000 1.156 379 Y CA 0.721 58.405 58.100 -0.694 0.000 1.182 379 Y CB -1.557 36.374 38.460 -0.881 0.000 0.979 379 Y HN 0.301 nan 8.280 nan 0.000 0.521 380 D N 0.123 120.423 120.400 -0.166 0.000 2.218 380 D HA -0.113 4.765 4.640 0.398 0.000 0.204 380 D C 1.689 177.961 176.300 -0.047 0.000 0.976 380 D CA 1.525 55.528 54.000 0.006 0.000 0.853 380 D CB -0.275 40.538 40.800 0.022 0.000 0.939 380 D HN 0.603 nan 8.370 nan 0.000 0.481 381 I N -4.915 115.459 120.570 -0.327 0.000 3.974 381 I HA 0.434 4.843 4.170 0.398 0.000 0.334 381 I C 0.998 176.558 176.117 -0.928 0.000 1.437 381 I CA 0.053 61.130 61.300 -0.372 0.000 1.113 381 I CB 0.515 38.407 38.000 -0.180 0.000 1.063 381 I HN -0.050 nan 8.210 nan 0.000 0.400 382 G N 1.498 109.266 108.800 -1.719 0.000 2.132 382 G HA2 -0.099 4.099 3.960 0.398 0.000 0.234 382 G HA3 -0.099 4.099 3.960 0.398 0.000 0.234 382 G C 0.136 174.416 174.900 -1.033 0.000 0.989 382 G CA -0.038 43.848 45.100 -2.022 0.000 0.676 382 G HN 0.932 nan 8.290 nan 0.000 0.522 383 A N -0.794 121.558 122.820 -0.779 0.000 2.330 383 A HA 0.785 5.344 4.320 0.398 0.000 0.329 383 A C 1.049 178.233 177.584 -0.666 0.000 1.135 383 A CA 0.622 52.276 52.037 -0.638 0.000 0.817 383 A CB 0.661 19.382 19.000 -0.465 0.000 1.269 383 A HN 1.111 nan 8.150 nan 0.000 0.469 384 Q N -1.282 118.044 119.800 -0.791 0.000 2.481 384 Q HA -0.206 4.373 4.340 0.398 0.000 0.272 384 Q C -0.162 175.493 176.000 -0.575 0.000 1.157 384 Q CA 1.545 56.969 55.803 -0.632 0.000 0.935 384 Q CB -2.155 26.331 28.738 -0.420 0.000 1.338 384 Q HN 0.888 nan 8.270 nan 0.000 0.494 385 I N -2.803 117.224 120.570 -0.905 0.000 2.498 385 I HA 0.444 4.853 4.170 0.398 0.000 0.301 385 I C -1.490 174.069 176.117 -0.931 0.000 0.984 385 I CA -2.710 58.035 61.300 -0.925 0.000 1.204 385 I CB 1.348 38.773 38.000 -0.959 0.000 1.362 385 I HN -0.250 nan 8.210 nan 0.000 0.471 386 P HA 0.030 nan 4.420 nan 0.000 0.271 386 P C 0.091 177.126 177.300 -0.443 0.000 1.601 386 P CA 0.314 63.081 63.100 -0.554 0.000 0.856 386 P CB -0.686 30.800 31.700 -0.356 0.000 1.820 387 I N -3.454 116.742 120.570 -0.624 0.000 3.640 387 I HA 0.663 5.071 4.170 0.398 0.000 0.288 387 I C 0.595 176.234 176.117 -0.797 0.000 1.248 387 I CA -1.311 59.372 61.300 -1.029 0.000 0.911 387 I CB 0.334 37.309 38.000 -1.708 0.000 1.533 387 I HN -0.157 nan 8.210 nan 0.000 0.686 388 G N 1.769 109.714 108.800 -1.425 0.000 2.519 388 G HA2 0.474 4.673 3.960 0.398 0.000 0.306 388 G HA3 0.474 4.673 3.960 0.398 0.000 0.306 388 G C -0.872 173.971 174.900 -0.095 0.000 0.965 388 G CA -0.172 44.685 45.100 -0.405 0.000 1.291 388 G HN 0.623 nan 8.290 nan 0.000 0.450 389 F N 1.049 120.839 119.950 -0.266 0.000 2.686 389 F HA 0.764 5.533 4.527 0.403 0.000 0.311 389 F C -2.164 173.432 175.800 -0.340 0.000 1.128 389 F CA -3.052 54.698 58.000 -0.417 0.000 0.946 389 F CB 1.242 40.011 39.000 -0.385 0.000 1.336 389 F HN 0.252 nan 8.300 nan 0.000 0.457 390 W N 4.882 125.571 121.300 -1.018 0.000 2.278 390 W HA 0.466 5.368 4.660 0.403 0.000 0.317 390 W C -0.439 175.720 176.519 -0.600 0.000 1.030 390 W CA -1.324 55.502 57.345 -0.864 0.000 1.334 390 W CB 1.075 30.024 29.460 -0.852 0.000 1.215 390 W HN 0.914 nan 8.180 nan 0.000 0.405 391 Q N 3.399 122.971 119.800 -0.379 0.000 2.395 391 Q HA -0.014 4.565 4.340 0.398 0.000 0.271 391 Q C -0.674 175.257 176.000 -0.115 0.000 1.026 391 Q CA 0.791 56.496 55.803 -0.163 0.000 0.900 391 Q CB 0.739 29.497 28.738 0.033 0.000 1.266 391 Q HN 0.357 nan 8.270 nan 0.000 0.430 392 D N 2.703 123.078 120.400 -0.041 0.000 2.440 392 D HA 0.037 4.915 4.640 0.398 0.000 0.239 392 D C -0.235 176.155 176.300 0.150 0.000 1.084 392 D CA -0.375 53.602 54.000 -0.039 0.000 0.843 392 D CB 0.631 41.408 40.800 -0.038 0.000 1.097 392 D HN 0.700 nan 8.370 nan 0.000 0.531 393 Y N 3.280 123.610 120.300 0.049 0.000 2.384 393 Y HA -0.217 4.579 4.550 0.410 0.000 0.289 393 Y C 1.837 177.731 175.900 -0.009 0.000 1.152 393 Y CA 1.761 59.884 58.100 0.038 0.000 1.258 393 Y CB 0.386 38.853 38.460 0.011 0.000 0.979 393 Y HN 0.456 nan 8.280 nan 0.000 0.549 394 E N -0.179 120.056 120.200 0.057 0.000 2.209 394 E HA -0.291 4.298 4.350 0.398 0.000 0.196 394 E C 1.910 178.516 176.600 0.010 0.000 0.993 394 E CA 1.734 58.164 56.400 0.051 0.000 0.819 394 E CB -0.827 28.976 29.700 0.171 0.000 0.745 394 E HN 0.740 nan 8.360 nan 0.000 0.477 395 Y N 0.143 120.326 120.300 -0.195 0.000 2.224 395 Y HA -0.043 4.732 4.550 0.376 0.000 0.289 395 Y C 2.049 177.922 175.900 -0.046 0.000 1.146 395 Y CA 1.880 59.740 58.100 -0.399 0.000 1.182 395 Y CB -0.414 37.515 38.460 -0.884 0.000 0.983 395 Y HN 0.133 nan 8.280 nan 0.000 0.524 396 E N 0.561 120.040 120.200 -1.201 0.000 2.122 396 E HA -0.154 4.434 4.350 0.398 0.000 0.190 396 E C 2.437 178.226 176.600 -1.353 0.000 0.977 396 E CA 0.574 55.979 56.400 -1.658 0.000 0.820 396 E CB -0.166 28.600 29.700 -1.556 0.000 0.770 396 E HN 0.539 nan 8.360 nan 0.000 0.462 397 R N 0.717 120.633 120.500 -0.974 0.000 2.103 397 R HA -0.215 4.364 4.340 0.398 0.000 0.242 397 R C 2.188 178.306 176.300 -0.304 0.000 1.142 397 R CA 2.053 57.840 56.100 -0.522 0.000 0.960 397 R CB -0.122 30.048 30.300 -0.216 0.000 0.858 397 R HN 0.229 nan 8.270 nan 0.000 0.439 398 Q N -0.451 119.259 119.800 -0.150 0.000 2.234 398 Q HA -0.169 4.410 4.340 0.398 0.000 0.206 398 Q C 0.715 176.782 176.000 0.110 0.000 0.980 398 Q CA 1.514 57.363 55.803 0.077 0.000 0.869 398 Q CB -0.069 28.864 28.738 0.326 0.000 0.912 398 Q HN 0.687 nan 8.270 nan 0.000 0.436 399 W N -1.077 120.137 121.300 -0.142 0.000 2.693 399 W HA 0.402 5.315 4.660 0.421 0.000 0.415 399 W C -0.901 175.539 176.519 -0.133 0.000 0.932 399 W CA -0.571 56.681 57.345 -0.155 0.000 2.200 399 W CB -0.359 28.959 29.460 -0.237 0.000 1.188 399 W HN -0.305 nan 8.180 nan 0.000 0.665 400 T N 3.683 118.051 114.554 -0.310 0.000 2.781 400 T HA 0.114 4.703 4.350 0.398 0.000 0.305 400 T C 0.674 175.329 174.700 -0.075 0.000 1.001 400 T CA -0.214 61.729 62.100 -0.261 0.000 0.950 400 T CB 0.404 69.081 68.868 -0.318 0.000 0.955 400 T HN 0.204 nan 8.240 nan 0.000 0.471 401 N N 2.502 121.203 118.700 0.002 0.000 2.347 401 N HA 0.108 5.087 4.740 0.398 0.000 0.253 401 N C 0.048 175.578 175.510 0.034 0.000 1.274 401 N CA -0.809 52.260 53.050 0.031 0.000 0.941 401 N CB 0.811 39.333 38.487 0.057 0.000 1.200 401 N HN 0.164 nan 8.380 nan 0.000 0.514 402 D N 0.034 120.456 120.400 0.037 0.000 2.182 402 D HA -0.116 4.762 4.640 0.398 0.000 0.201 402 D C 1.938 178.267 176.300 0.048 0.000 0.986 402 D CA 0.799 54.819 54.000 0.033 0.000 0.847 402 D CB -0.275 40.543 40.800 0.031 0.000 0.942 402 D HN 0.341 nan 8.370 nan 0.000 0.467 403 V N 1.200 121.162 119.914 0.082 0.000 2.307 403 V HA -0.230 4.129 4.120 0.398 0.000 0.245 403 V C 2.516 178.696 176.094 0.144 0.000 1.045 403 V CA 1.837 64.207 62.300 0.117 0.000 1.024 403 V CB -0.809 31.114 31.823 0.167 0.000 0.651 403 V HN 0.204 nan 8.190 nan 0.000 0.449 404 A N -0.382 122.547 122.820 0.181 0.000 1.902 404 A HA -0.201 4.358 4.320 0.398 0.000 0.217 404 A C 2.161 179.750 177.584 0.008 0.000 1.181 404 A CA 2.038 54.207 52.037 0.221 0.000 0.623 404 A CB -0.624 18.506 19.000 0.216 0.000 0.818 404 A HN 0.431 nan 8.150 nan 0.000 0.443 405 L N -0.172 121.043 121.223 -0.013 0.000 2.083 405 L HA -0.213 4.366 4.340 0.398 0.000 0.209 405 L C 2.585 179.398 176.870 -0.096 0.000 1.083 405 L CA 2.530 57.331 54.840 -0.066 0.000 0.752 405 L CB -0.637 41.404 42.059 -0.030 0.000 0.899 405 L HN 0.629 nan 8.230 nan 0.000 0.433 406 Q N -1.149 118.622 119.800 -0.049 0.000 2.084 406 Q HA -0.165 4.414 4.340 0.398 0.000 0.202 406 Q C 2.034 177.986 176.000 -0.081 0.000 0.978 406 Q CA 1.657 57.436 55.803 -0.040 0.000 0.844 406 Q CB -0.398 28.341 28.738 0.003 0.000 0.898 406 Q HN 0.605 nan 8.270 nan 0.000 0.426 407 G N 1.006 109.727 108.800 -0.132 0.000 2.421 407 G HA2 -0.230 3.969 3.960 0.398 0.000 0.216 407 G HA3 -0.230 3.969 3.960 0.398 0.000 0.216 407 G C 1.415 175.939 174.900 -0.626 0.000 1.171 407 G CA 0.824 45.785 45.100 -0.232 0.000 0.775 407 G HN 0.355 nan 8.290 nan 0.000 0.543 408 I N 1.145 121.161 120.570 -0.923 0.000 2.163 408 I HA -0.177 4.232 4.170 0.398 0.000 0.243 408 I C 2.276 178.202 176.117 -0.318 0.000 1.085 408 I CA 1.409 62.209 61.300 -0.834 0.000 1.347 408 I CB -0.177 37.508 38.000 -0.526 0.000 1.044 408 I HN 0.075 nan 8.210 nan 0.000 0.408 409 D N 0.275 120.555 120.400 -0.199 0.000 2.178 409 D HA -0.211 4.668 4.640 0.398 0.000 0.201 409 D C 2.077 178.350 176.300 -0.044 0.000 0.980 409 D CA 1.176 55.117 54.000 -0.098 0.000 0.842 409 D CB -0.226 40.531 40.800 -0.072 0.000 0.948 409 D HN 0.361 nan 8.370 nan 0.000 0.472 410 M N -0.511 119.093 119.600 0.006 0.000 2.132 410 M HA -0.221 4.497 4.480 0.398 0.000 0.263 410 M C 1.826 178.191 176.300 0.109 0.000 1.065 410 M CA 1.371 56.726 55.300 0.092 0.000 1.122 410 M CB -0.085 32.641 32.600 0.209 0.000 1.365 410 M HN -0.077 nan 8.290 nan 0.000 0.411 411 Y N 0.791 121.078 120.300 -0.023 0.000 2.200 411 Y HA -0.140 4.650 4.550 0.400 0.000 0.290 411 Y C 2.151 177.975 175.900 -0.126 0.000 1.137 411 Y CA 1.535 59.656 58.100 0.035 0.000 1.163 411 Y CB -0.633 37.958 38.460 0.218 0.000 0.988 411 Y HN 0.250 nan 8.280 nan 0.000 0.518 412 I N -0.227 120.367 120.570 0.040 0.000 2.163 412 I HA -0.327 4.082 4.170 0.398 0.000 0.240 412 I C 2.532 178.591 176.117 -0.096 0.000 1.081 412 I CA 1.576 62.857 61.300 -0.032 0.000 1.353 412 I CB -0.414 37.559 38.000 -0.047 0.000 1.054 412 I HN 0.076 nan 8.210 nan 0.000 0.407 413 K N 0.948 121.285 120.400 -0.105 0.000 2.063 413 K HA -0.192 4.367 4.320 0.398 0.000 0.208 413 K C 1.584 178.068 176.600 -0.193 0.000 1.048 413 K CA 1.618 57.834 56.287 -0.119 0.000 0.928 413 K CB -0.028 32.419 32.500 -0.088 0.000 0.713 413 K HN 0.298 nan 8.250 nan 0.000 0.442 414 N N 1.127 119.614 118.700 -0.354 0.000 2.398 414 N HA -0.018 4.961 4.740 0.398 0.000 0.188 414 N C -0.649 174.504 175.510 -0.594 0.000 1.122 414 N CA 0.376 53.090 53.050 -0.561 0.000 0.866 414 N CB 0.364 38.261 38.487 -0.983 0.000 0.970 414 N HN 0.154 nan 8.380 nan 0.000 0.462 415 K N 0.125 120.288 120.400 -0.394 0.000 3.278 415 K HA -0.216 4.343 4.320 0.398 0.000 0.270 415 K C -0.095 176.429 176.600 -0.126 0.000 0.955 415 K CA 0.323 56.491 56.287 -0.199 0.000 0.723 415 K CB -1.913 30.524 32.500 -0.104 0.000 1.382 415 K HN 0.463 nan 8.250 nan 0.000 0.461 416 Y N -0.678 119.603 120.300 -0.032 0.000 2.475 416 Y HA -0.019 4.769 4.550 0.397 0.000 0.289 416 Y C 1.414 177.342 175.900 0.046 0.000 1.121 416 Y CA -0.393 57.688 58.100 -0.031 0.000 1.257 416 Y CB 0.546 38.880 38.460 -0.209 0.000 1.026 416 Y HN 0.007 nan 8.280 nan 0.000 0.555 417 V N 3.636 123.672 119.914 0.203 0.000 2.493 417 V HA -0.111 4.248 4.120 0.398 0.000 0.292 417 V C 0.301 176.442 176.094 0.077 0.000 1.016 417 V CA -0.155 62.243 62.300 0.164 0.000 1.097 417 V CB -0.195 31.719 31.823 0.151 0.000 0.947 417 V HN 0.192 nan 8.190 nan 0.000 0.479 418 L N 7.475 128.716 121.223 0.029 0.000 2.439 418 L HA 0.295 4.874 4.340 0.398 0.000 0.269 418 L C -1.993 174.867 176.870 -0.017 0.000 1.179 418 L CA -1.647 53.155 54.840 -0.064 0.000 0.828 418 L CB 0.292 42.221 42.059 -0.217 0.000 1.106 418 L HN 0.419 nan 8.230 nan 0.000 0.467 419 P HA -0.022 nan 4.420 nan 0.000 0.262 419 P C -0.963 176.374 177.300 0.062 0.000 1.182 419 P CA 0.062 63.178 63.100 0.027 0.000 0.761 419 P CB 0.380 32.096 31.700 0.026 0.000 0.795 420 Q N 2.334 122.188 119.800 0.091 0.000 2.230 420 Q HA 0.288 4.867 4.340 0.398 0.000 0.248 420 Q C -0.298 175.839 176.000 0.228 0.000 0.915 420 Q CA -0.594 55.294 55.803 0.141 0.000 0.900 420 Q CB 0.975 29.777 28.738 0.107 0.000 1.229 420 Q HN 0.486 nan 8.270 nan 0.000 0.439 421 F N 2.128 122.150 119.950 0.120 0.000 2.506 421 F HA -0.020 4.746 4.527 0.398 0.000 0.371 421 F C 1.234 177.123 175.800 0.149 0.000 1.078 421 F CA -0.066 58.028 58.000 0.156 0.000 1.195 421 F CB 0.795 39.920 39.000 0.208 0.000 1.099 421 F HN 0.541 nan 8.300 nan 0.000 0.548 422 T N 2.733 117.148 114.554 -0.231 0.000 3.144 422 T HA 0.428 5.017 4.350 0.398 0.000 0.249 422 T C 0.868 175.236 174.700 -0.553 0.000 1.089 422 T CA 0.181 62.116 62.100 -0.275 0.000 0.989 422 T CB -0.666 68.166 68.868 -0.060 0.000 0.992 422 T HN 1.193 nan 8.240 nan 0.000 0.540 423 G N 0.983 108.881 108.800 -1.504 0.000 2.855 423 G HA2 0.035 4.234 3.960 0.398 0.000 0.352 423 G HA3 0.035 4.234 3.960 0.398 0.000 0.352 423 G C -0.407 174.256 174.900 -0.395 0.000 1.415 423 G CA -0.290 44.149 45.100 -1.102 0.000 0.871 423 G HN 1.532 nan 8.290 nan 0.000 0.543 424 V N -2.959 116.873 119.914 -0.137 0.000 3.141 424 V HA 0.869 5.228 4.120 0.398 0.000 0.312 424 V C -0.289 175.747 176.094 -0.097 0.000 1.157 424 V CA -1.332 60.936 62.300 -0.053 0.000 1.041 424 V CB 2.361 34.214 31.823 0.051 0.000 1.071 424 V HN 0.953 nan 8.190 nan 0.000 0.441 425 N N 2.241 120.876 118.700 -0.108 0.000 2.469 425 N HA 0.551 5.529 4.740 0.398 0.000 0.253 425 N C -0.887 174.563 175.510 -0.100 0.000 0.970 425 N CA -0.211 52.777 53.050 -0.103 0.000 0.940 425 N CB 1.825 40.251 38.487 -0.103 0.000 1.128 425 N HN 0.641 nan 8.380 nan 0.000 0.503 426 L N 1.208 122.368 121.223 -0.105 0.000 2.399 426 L HA 0.332 4.910 4.340 0.398 0.000 0.266 426 L C 1.561 178.395 176.870 -0.059 0.000 1.114 426 L CA -0.643 54.142 54.840 -0.092 0.000 0.804 426 L CB 0.743 42.726 42.059 -0.126 0.000 1.146 426 L HN 0.460 nan 8.230 nan 0.000 0.451 427 T N -1.532 112.996 114.554 -0.043 0.000 2.754 427 T HA 0.185 4.773 4.350 0.398 0.000 0.286 427 T C 1.283 175.977 174.700 -0.010 0.000 0.997 427 T CA -0.869 61.216 62.100 -0.026 0.000 0.982 427 T CB 1.165 70.019 68.868 -0.022 0.000 1.027 427 T HN 0.252 nan 8.240 nan 0.000 0.529 428 V N 1.336 121.252 119.914 0.003 0.000 2.287 428 V HA -0.137 4.222 4.120 0.398 0.000 0.248 428 V C 2.798 178.902 176.094 0.016 0.000 1.053 428 V CA 2.122 64.432 62.300 0.016 0.000 1.027 428 V CB -1.155 30.680 31.823 0.021 0.000 0.646 428 V HN 0.845 nan 8.190 nan 0.000 0.447 429 E N 0.279 120.486 120.200 0.012 0.000 2.077 429 E HA -0.207 4.382 4.350 0.398 0.000 0.193 429 E C 2.195 178.810 176.600 0.025 0.000 0.989 429 E CA 1.471 57.880 56.400 0.016 0.000 0.800 429 E CB -0.318 29.389 29.700 0.011 0.000 0.746 429 E HN 0.684 nan 8.360 nan 0.000 0.452 430 E N -0.050 120.160 120.200 0.017 0.000 2.072 430 E HA -0.139 4.450 4.350 0.398 0.000 0.191 430 E C 2.085 178.717 176.600 0.053 0.000 0.985 430 E CA 0.560 56.974 56.400 0.023 0.000 0.801 430 E CB 0.013 29.708 29.700 -0.009 0.000 0.750 430 E HN -0.058 nan 8.360 nan 0.000 0.452 431 R N 1.455 121.975 120.500 0.034 0.000 2.120 431 R HA -0.122 4.457 4.340 0.398 0.000 0.234 431 R C 1.679 178.052 176.300 0.122 0.000 1.123 431 R CA 1.232 57.369 56.100 0.061 0.000 0.975 431 R CB -0.217 30.095 30.300 0.021 0.000 0.866 431 R HN 0.330 nan 8.270 nan 0.000 0.446 432 E N -0.116 120.127 120.200 0.070 0.000 2.058 432 E HA -0.173 4.415 4.350 0.398 0.000 0.194 432 E C 1.946 178.571 176.600 0.043 0.000 0.997 432 E CA 1.050 57.475 56.400 0.042 0.000 0.801 432 E CB -0.088 29.622 29.700 0.017 0.000 0.746 432 E HN 0.181 nan 8.360 nan 0.000 0.450 433 I N 0.489 121.110 120.570 0.086 0.000 2.226 433 I HA -0.262 4.147 4.170 0.398 0.000 0.245 433 I C 2.345 178.571 176.117 0.182 0.000 1.100 433 I CA 1.309 62.687 61.300 0.129 0.000 1.374 433 I CB -1.025 37.086 38.000 0.185 0.000 1.057 433 I HN 0.182 nan 8.210 nan 0.000 0.413 434 Y N 2.347 122.696 120.300 0.082 0.000 2.081 434 Y HA -0.301 4.488 4.550 0.397 0.000 0.280 434 Y C 2.325 178.325 175.900 0.167 0.000 1.163 434 Y CA 2.052 60.227 58.100 0.125 0.000 1.135 434 Y CB -0.246 38.251 38.460 0.063 0.000 0.970 434 Y HN 0.225 nan 8.280 nan 0.000 0.498 435 D N -0.140 120.414 120.400 0.258 0.000 2.269 435 D HA -0.140 4.739 4.640 0.398 0.000 0.208 435 D C 1.949 178.230 176.300 -0.032 0.000 0.963 435 D CA 1.019 55.092 54.000 0.122 0.000 0.864 435 D CB -0.158 40.702 40.800 0.100 0.000 0.936 435 D HN 0.434 nan 8.370 nan 0.000 0.505 436 K N -0.483 119.841 120.400 -0.126 0.000 2.076 436 K HA -0.099 4.460 4.320 0.398 0.000 0.204 436 K C 1.396 177.766 176.600 -0.383 0.000 1.051 436 K CA 0.905 56.983 56.287 -0.348 0.000 0.949 436 K CB 0.218 32.344 32.500 -0.624 0.000 0.726 436 K HN 0.185 nan 8.250 nan 0.000 0.443 437 Y N -2.023 118.297 120.300 0.033 0.000 2.609 437 Y HA -0.006 4.783 4.550 0.398 0.000 0.281 437 Y C 2.131 178.076 175.900 0.076 0.000 1.132 437 Y CA -0.438 57.688 58.100 0.044 0.000 1.264 437 Y CB -0.405 38.095 38.460 0.067 0.000 1.325 437 Y HN 0.147 nan 8.280 nan 0.000 0.514 438 W N 3.387 124.658 121.300 -0.048 0.000 2.290 438 W HA -0.230 4.668 4.660 0.397 0.000 0.323 438 W C -1.186 175.261 176.519 -0.121 0.000 1.260 438 W CA 1.858 59.104 57.345 -0.164 0.000 1.266 438 W CB -1.269 27.843 29.460 -0.580 0.000 1.149 438 W HN 0.076 nan 8.180 nan 0.000 0.482 439 P HA -0.222 nan 4.420 nan 0.000 0.215 439 P C 1.078 178.215 177.300 -0.271 0.000 1.163 439 P CA 2.686 65.621 63.100 -0.275 0.000 0.894 439 P CB -0.380 31.255 31.700 -0.109 0.000 0.791 440 D N -1.247 119.068 120.400 -0.143 0.000 2.183 440 D HA -0.074 4.805 4.640 0.398 0.000 0.203 440 D C 2.024 178.249 176.300 -0.124 0.000 0.969 440 D CA 0.840 54.778 54.000 -0.104 0.000 0.842 440 D CB -0.602 40.176 40.800 -0.036 0.000 0.957 440 D HN 0.003 nan 8.370 nan 0.000 0.484 441 V N 1.202 121.030 119.914 -0.144 0.000 2.295 441 V HA -0.228 4.131 4.120 0.398 0.000 0.246 441 V C 2.512 178.385 176.094 -0.368 0.000 1.049 441 V CA 1.447 63.662 62.300 -0.140 0.000 1.024 441 V CB -0.359 31.485 31.823 0.036 0.000 0.648 441 V HN 0.124 nan 8.190 nan 0.000 0.447 442 K N -0.340 119.594 120.400 -0.776 0.000 2.044 442 K HA -0.213 4.346 4.320 0.398 0.000 0.210 442 K C 2.239 178.575 176.600 -0.441 0.000 1.049 442 K CA 2.104 57.861 56.287 -0.882 0.000 0.927 442 K CB -0.355 31.493 32.500 -1.087 0.000 0.713 442 K HN 0.509 nan 8.250 nan 0.000 0.443 443 T N 0.053 114.427 114.554 -0.301 0.000 2.684 443 T HA -0.209 4.379 4.350 0.398 0.000 0.267 443 T C 1.497 176.162 174.700 -0.059 0.000 1.036 443 T CA 1.625 63.633 62.100 -0.155 0.000 1.148 443 T CB -0.474 68.323 68.868 -0.117 0.000 0.863 443 T HN 0.337 nan 8.240 nan 0.000 0.436 444 Y N 1.572 121.765 120.300 -0.177 0.000 2.181 444 Y HA -0.098 4.690 4.550 0.398 0.000 0.288 444 Y C 2.285 178.102 175.900 -0.138 0.000 1.146 444 Y CA 1.192 59.210 58.100 -0.137 0.000 1.164 444 Y CB -0.523 37.854 38.460 -0.139 0.000 0.982 444 Y HN 0.148 nan 8.280 nan 0.000 0.515 445 M N -1.422 117.991 119.600 -0.311 0.000 2.108 445 M HA -0.201 4.517 4.480 0.398 0.000 0.261 445 M C 2.085 178.157 176.300 -0.380 0.000 1.066 445 M CA 2.064 57.134 55.300 -0.383 0.000 1.107 445 M CB -0.664 31.635 32.600 -0.501 0.000 1.356 445 M HN 0.381 nan 8.290 nan 0.000 0.406 446 F N 1.445 121.135 119.950 -0.432 0.000 2.102 446 F HA -0.203 4.563 4.527 0.398 0.000 0.298 446 F C 2.144 177.846 175.800 -0.162 0.000 1.105 446 F CA 1.837 59.704 58.000 -0.220 0.000 1.239 446 F CB -0.222 38.706 39.000 -0.119 0.000 0.991 446 F HN 0.137 nan 8.300 nan 0.000 0.474 447 E N -0.413 119.790 120.200 0.006 0.000 2.085 447 E HA -0.248 4.341 4.350 0.398 0.000 0.194 447 E C 2.222 178.568 176.600 -0.424 0.000 0.994 447 E CA 1.539 57.863 56.400 -0.126 0.000 0.801 447 E CB -0.245 29.396 29.700 -0.099 0.000 0.743 447 E HN 0.360 nan 8.360 nan 0.000 0.453 448 M N 0.096 119.277 119.600 -0.698 0.000 2.175 448 M HA -0.057 4.662 4.480 0.398 0.000 0.264 448 M C 2.456 178.030 176.300 -1.210 0.000 1.063 448 M CA 1.364 55.969 55.300 -1.158 0.000 1.119 448 M CB -1.332 30.336 32.600 -1.553 0.000 1.377 448 M HN 0.215 nan 8.290 nan 0.000 0.415 449 G N -0.372 108.007 108.800 -0.701 0.000 2.446 449 G HA2 -0.287 3.912 3.960 0.398 0.000 0.217 449 G HA3 -0.287 3.912 3.960 0.398 0.000 0.217 449 G C 1.470 176.358 174.900 -0.020 0.000 1.168 449 G CA 1.050 45.974 45.100 -0.293 0.000 0.771 449 G HN 0.556 nan 8.290 nan 0.000 0.551 450 Q N 0.161 119.834 119.800 -0.211 0.000 2.084 450 Q HA -0.099 4.480 4.340 0.398 0.000 0.202 450 Q C 2.769 178.521 176.000 -0.413 0.000 0.978 450 Q CA 1.676 57.172 55.803 -0.511 0.000 0.844 450 Q CB -0.189 28.014 28.738 -0.892 0.000 0.898 450 Q HN 0.434 nan 8.270 nan 0.000 0.426 451 S N -0.074 115.395 115.700 -0.384 0.000 2.370 451 S HA -0.156 4.553 4.470 0.398 0.000 0.226 451 S C 1.282 175.813 174.600 -0.115 0.000 1.033 451 S CA 1.216 59.242 58.200 -0.290 0.000 1.011 451 S CB -0.356 62.629 63.200 -0.358 0.000 0.852 451 S HN 0.515 nan 8.310 nan 0.000 0.457 452 W N 1.276 122.493 121.300 -0.139 0.000 2.379 452 W HA 0.021 4.919 4.660 0.398 0.000 0.307 452 W C 2.341 178.785 176.519 -0.124 0.000 1.200 452 W CA -0.043 57.228 57.345 -0.123 0.000 1.297 452 W CB -1.504 27.878 29.460 -0.129 0.000 1.140 452 W HN 0.108 nan 8.180 nan 0.000 0.507 453 V N 0.883 120.876 119.914 0.132 0.000 2.287 453 V HA -0.304 4.055 4.120 0.398 0.000 0.248 453 V C 2.115 178.067 176.094 -0.237 0.000 1.053 453 V CA 1.912 64.214 62.300 0.004 0.000 1.027 453 V CB -0.779 31.127 31.823 0.139 0.000 0.646 453 V HN 0.084 nan 8.190 nan 0.000 0.447 454 M N -0.384 119.035 119.600 -0.301 0.000 2.618 454 M HA 0.205 4.923 4.480 0.398 0.000 0.240 454 M C 1.554 177.835 176.300 -0.033 0.000 1.123 454 M CA 0.910 56.017 55.300 -0.322 0.000 1.060 454 M CB -0.041 32.391 32.600 -0.279 0.000 1.535 454 M HN 0.545 nan 8.290 nan 0.000 0.507 455 G N 0.733 109.537 108.800 0.008 0.000 2.168 455 G HA2 -0.330 3.869 3.960 0.398 0.000 0.263 455 G HA3 -0.330 3.869 3.960 0.398 0.000 0.263 455 G C 0.838 175.767 174.900 0.048 0.000 0.977 455 G CA 0.901 46.036 45.100 0.058 0.000 0.659 455 G HN 0.549 nan 8.290 nan 0.000 0.533 456 T N -2.898 111.665 114.554 0.016 0.000 3.085 456 T HA 0.352 4.941 4.350 0.398 0.000 0.263 456 T C 0.826 175.543 174.700 0.028 0.000 1.127 456 T CA 1.383 63.488 62.100 0.009 0.000 1.103 456 T CB 0.419 69.268 68.868 -0.031 0.000 0.921 456 T HN 0.503 nan 8.240 nan 0.000 0.510 457 K N 1.206 121.649 120.400 0.071 0.000 2.501 457 K HA 0.324 4.883 4.320 0.398 0.000 0.252 457 K C -1.940 174.811 176.600 0.252 0.000 0.934 457 K CA -0.815 55.560 56.287 0.147 0.000 0.797 457 K CB 2.050 34.621 32.500 0.119 0.000 1.270 457 K HN -0.032 nan 8.250 nan 0.000 0.431 458 D N 4.118 124.622 120.400 0.173 0.000 2.316 458 D HA 0.116 4.994 4.640 0.398 0.000 0.245 458 D C -1.423 174.897 176.300 0.033 0.000 1.171 458 D CA -2.284 51.760 54.000 0.074 0.000 0.856 458 D CB 1.375 42.188 40.800 0.022 0.000 1.090 458 D HN 0.162 nan 8.370 nan 0.000 0.476 459 P HA -0.192 nan 4.420 nan 0.000 0.218 459 P C 1.000 178.118 177.300 -0.302 0.000 1.148 459 P CA 0.950 63.613 63.100 -0.728 0.000 0.822 459 P CB 0.607 31.611 31.700 -1.160 0.000 0.784 460 E N 1.185 121.250 120.200 -0.225 0.000 2.046 460 E HA -0.142 4.447 4.350 0.398 0.000 0.190 460 E C 1.994 178.599 176.600 0.008 0.000 0.982 460 E CA 1.540 57.856 56.400 -0.139 0.000 0.800 460 E CB -0.569 29.038 29.700 -0.156 0.000 0.756 460 E HN 0.148 nan 8.360 nan 0.000 0.449 461 K N -0.706 119.712 120.400 0.030 0.000 2.288 461 K HA -0.013 4.546 4.320 0.398 0.000 0.201 461 K C 1.621 178.311 176.600 0.149 0.000 1.048 461 K CA 1.481 57.816 56.287 0.079 0.000 0.956 461 K CB 0.082 32.618 32.500 0.060 0.000 0.746 461 K HN 0.293 nan 8.250 nan 0.000 0.461 462 T N -2.931 111.754 114.554 0.218 0.000 3.054 462 T HA 0.006 4.594 4.350 0.398 0.000 0.255 462 T C 1.188 176.128 174.700 0.400 0.000 1.035 462 T CA -0.668 61.612 62.100 0.302 0.000 0.941 462 T CB -0.149 68.945 68.868 0.378 0.000 1.026 462 T HN 0.327 nan 8.240 nan 0.000 0.533 463 W N 2.732 124.124 121.300 0.153 0.000 2.335 463 W HA -0.194 4.704 4.660 0.397 0.000 0.311 463 W C 1.397 178.077 176.519 0.268 0.000 1.213 463 W CA 1.145 58.611 57.345 0.202 0.000 1.274 463 W CB -0.252 29.241 29.460 0.054 0.000 1.148 463 W HN 0.267 nan 8.180 nan 0.000 0.498 464 N N 0.719 119.581 118.700 0.270 0.000 2.166 464 N HA -0.206 4.772 4.740 0.398 0.000 0.186 464 N C 1.203 176.765 175.510 0.086 0.000 1.019 464 N CA 2.120 55.253 53.050 0.138 0.000 0.856 464 N CB -0.953 37.621 38.487 0.145 0.000 0.993 464 N HN 0.305 nan 8.380 nan 0.000 0.426 465 D N -0.372 120.110 120.400 0.136 0.000 2.144 465 D HA -0.167 4.712 4.640 0.398 0.000 0.200 465 D C 2.014 178.398 176.300 0.140 0.000 0.978 465 D CA 0.661 54.734 54.000 0.122 0.000 0.833 465 D CB -0.076 40.811 40.800 0.146 0.000 0.961 465 D HN 0.346 nan 8.370 nan 0.000 0.470 466 Y N 0.457 120.783 120.300 0.043 0.000 2.145 466 Y HA -0.226 4.563 4.550 0.398 0.000 0.286 466 Y C 2.223 178.078 175.900 -0.075 0.000 1.145 466 Y CA 1.400 59.522 58.100 0.036 0.000 1.148 466 Y CB -0.047 38.421 38.460 0.013 0.000 0.981 466 Y HN -0.045 nan 8.280 nan 0.000 0.507 467 Q N 0.502 120.122 119.800 -0.300 0.000 2.124 467 Q HA -0.270 4.308 4.340 0.398 0.000 0.202 467 Q C 2.236 178.172 176.000 -0.106 0.000 0.977 467 Q CA 1.943 57.571 55.803 -0.291 0.000 0.850 467 Q CB -0.475 28.148 28.738 -0.191 0.000 0.901 467 Q HN 0.694 nan 8.270 nan 0.000 0.429 468 Q N -0.177 119.582 119.800 -0.068 0.000 2.079 468 Q HA -0.163 4.416 4.340 0.398 0.000 0.200 468 Q C 1.910 177.867 176.000 -0.071 0.000 0.974 468 Q CA 0.927 56.707 55.803 -0.039 0.000 0.840 468 Q CB 0.265 28.993 28.738 -0.017 0.000 0.898 468 Q HN 0.246 nan 8.270 nan 0.000 0.430 469 Q N 0.289 120.018 119.800 -0.117 0.000 2.079 469 Q HA -0.096 4.483 4.340 0.398 0.000 0.200 469 Q C 2.250 178.094 176.000 -0.260 0.000 0.974 469 Q CA 0.958 56.625 55.803 -0.227 0.000 0.840 469 Q CB -0.190 28.347 28.738 -0.335 0.000 0.898 469 Q HN 0.458 nan 8.270 nan 0.000 0.430 470 L N 0.721 121.792 121.223 -0.253 0.000 2.042 470 L HA -0.215 4.364 4.340 0.398 0.000 0.210 470 L C 2.628 179.507 176.870 0.014 0.000 1.076 470 L CA 1.367 56.083 54.840 -0.207 0.000 0.749 470 L CB -0.454 41.357 42.059 -0.413 0.000 0.893 470 L HN 0.223 nan 8.230 nan 0.000 0.432 471 K N 0.317 120.792 120.400 0.125 0.000 2.002 471 K HA -0.187 4.372 4.320 0.398 0.000 0.209 471 K C 1.905 178.506 176.600 0.001 0.000 1.048 471 K CA 1.731 58.134 56.287 0.193 0.000 0.930 471 K CB -0.027 32.540 32.500 0.111 0.000 0.714 471 K HN 0.235 nan 8.250 nan 0.000 0.438 472 N N 1.039 119.706 118.700 -0.056 0.000 2.205 472 N HA -0.133 4.846 4.740 0.398 0.000 0.186 472 N C 1.336 176.772 175.510 -0.124 0.000 1.015 472 N CA 1.139 54.136 53.050 -0.089 0.000 0.862 472 N CB -0.158 38.274 38.487 -0.092 0.000 0.986 472 N HN 0.255 nan 8.380 nan 0.000 0.429 473 R N -0.293 120.117 120.500 -0.149 0.000 2.319 473 R HA 0.165 4.743 4.340 0.398 0.000 0.204 473 R C 0.881 177.059 176.300 -0.204 0.000 0.954 473 R CA 0.450 56.469 56.100 -0.134 0.000 1.066 473 R CB 0.067 30.262 30.300 -0.174 0.000 0.991 473 R HN 0.209 nan 8.270 nan 0.000 0.486 474 G N 0.680 109.258 108.800 -0.371 0.000 2.143 474 G HA2 -0.359 3.839 3.960 0.398 0.000 0.249 474 G HA3 -0.359 3.839 3.960 0.398 0.000 0.249 474 G C 0.513 175.231 174.900 -0.302 0.000 0.981 474 G CA 0.256 44.914 45.100 -0.736 0.000 0.665 474 G HN 0.488 nan 8.290 nan 0.000 0.528 475 F N 0.384 120.193 119.950 -0.235 0.000 2.095 475 F HA -0.059 4.707 4.527 0.398 0.000 0.298 475 F C 2.399 178.026 175.800 -0.288 0.000 1.104 475 F CA 2.236 60.109 58.000 -0.211 0.000 1.232 475 F CB -0.104 38.686 39.000 -0.350 0.000 0.987 475 F HN 0.253 nan 8.300 nan 0.000 0.475 476 Y N 0.579 120.718 120.300 -0.267 0.000 2.421 476 Y HA -0.158 4.631 4.550 0.398 0.000 0.292 476 Y C 2.432 178.172 175.900 -0.267 0.000 1.136 476 Y CA 1.223 59.122 58.100 -0.335 0.000 1.255 476 Y CB -0.515 37.867 38.460 -0.129 0.000 0.991 476 Y HN 0.231 nan 8.280 nan 0.000 0.552 477 Q N -0.758 118.964 119.800 -0.130 0.000 2.123 477 Q HA -0.115 4.463 4.340 0.398 0.000 0.199 477 Q C 2.325 178.279 176.000 -0.076 0.000 0.966 477 Q CA 1.444 57.197 55.803 -0.082 0.000 0.845 477 Q CB -0.183 28.493 28.738 -0.103 0.000 0.907 477 Q HN 0.358 nan 8.270 nan 0.000 0.439 478 V N 0.856 120.692 119.914 -0.130 0.000 2.358 478 V HA -0.246 4.112 4.120 0.398 0.000 0.246 478 V C 2.263 178.196 176.094 -0.268 0.000 1.047 478 V CA 1.291 63.520 62.300 -0.118 0.000 1.035 478 V CB -0.394 31.379 31.823 -0.084 0.000 0.658 478 V HN 0.398 nan 8.190 nan 0.000 0.452 479 M N -0.553 118.781 119.600 -0.442 0.000 2.108 479 M HA -0.165 4.554 4.480 0.398 0.000 0.261 479 M C 2.258 178.424 176.300 -0.223 0.000 1.066 479 M CA 1.898 56.950 55.300 -0.413 0.000 1.107 479 M CB -1.099 31.196 32.600 -0.509 0.000 1.356 479 M HN 0.428 nan 8.290 nan 0.000 0.406 480 I N 0.602 121.086 120.570 -0.143 0.000 2.226 480 I HA -0.203 4.205 4.170 0.398 0.000 0.245 480 I C 2.166 178.241 176.117 -0.069 0.000 1.100 480 I CA 1.420 62.674 61.300 -0.075 0.000 1.374 480 I CB -0.006 37.971 38.000 -0.037 0.000 1.057 480 I HN 0.154 nan 8.210 nan 0.000 0.413 481 V N -0.807 119.065 119.914 -0.070 0.000 2.427 481 V HA -0.229 4.129 4.120 0.398 0.000 0.248 481 V C 2.496 178.541 176.094 -0.082 0.000 1.051 481 V CA 1.387 63.657 62.300 -0.050 0.000 1.048 481 V CB -1.004 30.811 31.823 -0.014 0.000 0.666 481 V HN 0.378 nan 8.190 nan 0.000 0.456 482 M N 0.275 119.782 119.600 -0.154 0.000 2.117 482 M HA -0.139 4.580 4.480 0.398 0.000 0.262 482 M C 2.368 178.611 176.300 -0.094 0.000 1.065 482 M CA 2.341 57.518 55.300 -0.204 0.000 1.114 482 M CB -1.155 31.173 32.600 -0.453 0.000 1.361 482 M HN 0.555 nan 8.290 nan 0.000 0.408 483 Q N 0.827 120.574 119.800 -0.089 0.000 2.119 483 Q HA -0.089 4.490 4.340 0.398 0.000 0.201 483 Q C 1.816 177.848 176.000 0.053 0.000 0.972 483 Q CA 1.696 57.493 55.803 -0.010 0.000 0.847 483 Q CB -0.073 28.642 28.738 -0.040 0.000 0.903 483 Q HN 0.420 nan 8.270 nan 0.000 0.433 484 K N -0.610 119.793 120.400 0.006 0.000 2.097 484 K HA -0.041 4.517 4.320 0.398 0.000 0.205 484 K C 1.979 178.576 176.600 -0.005 0.000 1.050 484 K CA 1.047 57.336 56.287 0.004 0.000 0.938 484 K CB -0.166 32.326 32.500 -0.013 0.000 0.718 484 K HN 0.263 nan 8.250 nan 0.000 0.442 485 A N 0.596 123.408 122.820 -0.013 0.000 1.929 485 A HA -0.175 4.384 4.320 0.398 0.000 0.216 485 A C 2.022 179.580 177.584 -0.043 0.000 1.176 485 A CA 1.009 53.020 52.037 -0.042 0.000 0.628 485 A CB -0.637 18.331 19.000 -0.054 0.000 0.816 485 A HN 0.403 nan 8.150 nan 0.000 0.444 486 Y N 1.230 121.489 120.300 -0.068 0.000 2.181 486 Y HA -0.213 4.575 4.550 0.397 0.000 0.288 486 Y C 1.698 177.569 175.900 -0.048 0.000 1.146 486 Y CA 2.118 60.204 58.100 -0.024 0.000 1.164 486 Y CB -0.075 38.420 38.460 0.060 0.000 0.982 486 Y HN 0.340 nan 8.280 nan 0.000 0.515 487 D N -0.231 120.181 120.400 0.020 0.000 2.224 487 D HA -0.123 4.756 4.640 0.398 0.000 0.205 487 D C 2.010 178.225 176.300 -0.142 0.000 0.965 487 D CA 0.751 54.725 54.000 -0.044 0.000 0.852 487 D CB -0.335 40.503 40.800 0.063 0.000 0.947 487 D HN 0.324 nan 8.370 nan 0.000 0.494 488 R N 0.552 120.965 120.500 -0.146 0.000 2.341 488 R HA -0.093 4.486 4.340 0.398 0.000 0.213 488 R C 1.782 177.938 176.300 -0.240 0.000 1.082 488 R CA 0.815 56.824 56.100 -0.152 0.000 1.017 488 R CB 0.191 30.417 30.300 -0.123 0.000 0.860 488 R HN 0.289 nan 8.270 nan 0.000 0.473 489 Q N -1.771 117.779 119.800 -0.416 0.000 2.532 489 Q HA 0.103 4.681 4.340 0.398 0.000 0.247 489 Q C -0.299 175.340 176.000 -0.601 0.000 0.872 489 Q CA 0.064 55.501 55.803 -0.611 0.000 0.963 489 Q CB 0.578 28.726 28.738 -0.983 0.000 1.159 489 Q HN 0.176 nan 8.270 nan 0.000 0.598 490 Y N 0.000 120.099 120.300 -0.335 0.000 2.660 490 Y HA 0.000 4.788 4.550 0.397 0.000 0.201 490 Y CA 0.000 57.924 58.100 -0.294 0.000 1.940 490 Y CB 0.000 38.173 38.460 -0.479 0.000 1.050 490 Y HN 0.000 nan 8.280 nan 0.000 0.758