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 2yvx_1_C DATA FIRST_RESID 7 DATA SEQUENCE VSLQEALQEG DTRALREVLE EIHPQDLLAL WDELKGEHRY VVLTLLPKAK DATA SEQUENCE AAEVLSHLSP EEQAEYLKTL PPWRLREILE ELSLDDLADA LQAVRKEDPA DATA SEQUENCE YFQRLKDLLD PRTRAEVEAL ARYEEDEAGG LMTPEYVAVR EGMTVEEVLR DATA SEQUENCE FLRRAAPDAE TIYYIYVVDE KGRLKGVLSL RDLIVADPRT RVAEIMNPKV DATA SEQUENCE VYVRTDTDQE EVARLMADYD FTVLPVVDEE GRLVGIVTVD DVLDVLEAEA DATA SEQUENCE TEDIHKLGAV DVPDLVYSEA GPVALWLARV RWLVILILTG MVTSSILQGF DATA SEQUENCE ESVLEAVTAL AFYVPVLLGT GGNTGNQSAT LIIRALATRD LDLRDWRRVF DATA SEQUENCE LKEMGVGLLL GLTLSFLLVG KVYWDGHPLL LPVVGVSLVL IVFFANLVGA DATA SEQUENCE MLPFLLRRLG VDPALVSNPL VATLSDVTGL LIYLSVARLL LE 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.104 176.094 0.017 0.000 1.182 7 V CA 0.000 62.311 62.300 0.018 0.000 1.235 7 V CB 0.000 31.830 31.823 0.012 0.000 1.184 8 S N 0.060 115.773 115.700 0.021 0.000 2.503 8 S HA 0.180 4.650 4.470 0.000 0.000 0.215 8 S C 1.715 176.330 174.600 0.025 0.000 1.003 8 S CA 0.424 58.637 58.200 0.021 0.000 0.910 8 S CB 0.409 63.621 63.200 0.021 0.000 0.790 8 S HN 0.581 nan 8.310 nan 0.000 0.514 9 L N 2.071 123.312 121.223 0.031 0.000 2.197 9 L HA -0.216 4.124 4.340 0.000 0.000 0.215 9 L C 1.706 178.601 176.870 0.041 0.000 1.095 9 L CA 1.406 56.269 54.840 0.039 0.000 0.764 9 L CB -0.382 41.706 42.059 0.047 0.000 0.897 9 L HN 0.359 nan 8.230 nan 0.000 0.436 10 Q N -0.372 119.446 119.800 0.030 0.000 2.594 10 Q HA -0.212 4.128 4.340 0.000 0.000 0.219 10 Q C 1.327 177.352 176.000 0.042 0.000 0.980 10 Q CA 1.013 56.834 55.803 0.030 0.000 0.962 10 Q CB 0.062 28.801 28.738 0.002 0.000 0.987 10 Q HN 0.722 nan 8.270 nan 0.000 0.553 11 E N -0.210 120.013 120.200 0.039 0.000 2.280 11 E HA 0.079 4.429 4.350 0.000 0.000 0.197 11 E C 0.807 177.429 176.600 0.036 0.000 0.913 11 E CA 0.578 56.998 56.400 0.034 0.000 0.995 11 E CB -0.365 29.350 29.700 0.026 0.000 0.991 11 E HN 0.082 nan 8.360 nan 0.000 0.484 12 A N 0.752 123.593 122.820 0.035 0.000 2.958 12 A HA 0.451 4.771 4.320 0.000 0.000 0.247 12 A C 0.724 178.331 177.584 0.040 0.000 1.679 12 A CA 0.384 52.440 52.037 0.032 0.000 1.345 12 A CB -0.764 18.254 19.000 0.030 0.000 1.013 12 A HN 0.417 nan 8.150 nan 0.000 0.641 13 L N -1.928 119.322 121.223 0.046 0.000 4.478 13 L HA 0.203 4.543 4.340 0.000 0.000 0.444 13 L C 1.401 178.293 176.870 0.036 0.000 1.013 13 L CA 0.851 55.722 54.840 0.052 0.000 1.688 13 L CB -0.228 41.891 42.059 0.099 0.000 1.834 13 L HN 0.329 nan 8.230 nan 0.000 0.629 14 Q N 0.788 120.614 119.800 0.043 0.000 2.172 14 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 14 Q C 1.740 177.742 176.000 0.004 0.000 0.964 14 Q CA 2.056 57.878 55.803 0.032 0.000 0.855 14 Q CB 0.063 28.826 28.738 0.041 0.000 0.918 14 Q HN 0.648 nan 8.270 nan 0.000 0.444 15 E N -0.922 119.280 120.200 0.004 0.000 2.371 15 E HA 0.024 4.374 4.350 0.000 0.000 0.194 15 E C 0.867 177.459 176.600 -0.013 0.000 1.012 15 E CA 0.913 57.311 56.400 -0.003 0.000 0.860 15 E CB -0.637 29.064 29.700 0.002 0.000 0.811 15 E HN 0.337 nan 8.360 nan 0.000 0.502 16 G N 2.091 110.880 108.800 -0.018 0.000 2.273 16 G HA2 -0.296 3.664 3.960 0.000 0.000 0.280 16 G HA3 -0.296 3.664 3.960 0.000 0.000 0.280 16 G C 0.001 174.891 174.900 -0.018 0.000 1.047 16 G CA 0.664 45.747 45.100 -0.028 0.000 0.869 16 G HN 0.422 nan 8.290 nan 0.000 0.502 17 D N -1.280 119.115 120.400 -0.008 0.000 2.166 17 D HA 0.578 5.218 4.640 0.000 0.000 0.295 17 D C 1.914 178.212 176.300 -0.004 0.000 1.145 17 D CA 1.376 55.372 54.000 -0.006 0.000 0.901 17 D CB 0.478 41.277 40.800 -0.001 0.000 0.957 17 D HN 0.152 nan 8.370 nan 0.000 0.301 18 T N -1.927 112.627 114.554 0.001 0.000 3.786 18 T HA 0.103 4.453 4.350 0.000 0.000 0.312 18 T C 1.520 176.225 174.700 0.009 0.000 0.902 18 T CA -0.227 61.876 62.100 0.004 0.000 1.133 18 T CB 0.083 68.949 68.868 -0.003 0.000 1.109 18 T HN -0.011 nan 8.240 nan 0.000 0.521 19 R N 2.007 122.510 120.500 0.006 0.000 2.151 19 R HA 0.119 4.459 4.340 0.000 0.000 0.220 19 R C 2.598 178.905 176.300 0.012 0.000 1.120 19 R CA 1.656 57.760 56.100 0.008 0.000 0.882 19 R CB -0.768 29.535 30.300 0.005 0.000 0.806 19 R HN 0.327 nan 8.270 nan 0.000 0.440 20 A N 1.110 123.938 122.820 0.012 0.000 2.148 20 A HA -0.172 4.148 4.320 0.000 0.000 0.222 20 A C 2.030 179.627 177.584 0.021 0.000 1.161 20 A CA 1.269 53.315 52.037 0.016 0.000 0.662 20 A CB -0.480 18.529 19.000 0.015 0.000 0.799 20 A HN 0.326 nan 8.150 nan 0.000 0.466 21 L N -0.523 120.713 121.223 0.022 0.000 2.084 21 L HA 0.043 4.383 4.340 0.000 0.000 0.202 21 L C 2.208 179.096 176.870 0.031 0.000 1.074 21 L CA 1.700 56.557 54.840 0.029 0.000 0.757 21 L CB -0.656 41.421 42.059 0.030 0.000 0.918 21 L HN 0.319 nan 8.230 nan 0.000 0.444 22 R N -0.212 120.304 120.500 0.028 0.000 2.241 22 R HA -0.103 4.237 4.340 0.000 0.000 0.224 22 R C 1.893 178.208 176.300 0.025 0.000 1.101 22 R CA 0.978 57.095 56.100 0.029 0.000 0.995 22 R CB -0.240 30.076 30.300 0.027 0.000 0.870 22 R HN 0.551 nan 8.270 nan 0.000 0.463 23 E N 0.158 120.372 120.200 0.022 0.000 2.358 23 E HA -0.079 4.271 4.350 0.000 0.000 0.195 23 E C 1.410 178.023 176.600 0.023 0.000 1.010 23 E CA 0.615 57.027 56.400 0.020 0.000 0.856 23 E CB 0.434 30.145 29.700 0.018 0.000 0.795 23 E HN 0.150 nan 8.360 nan 0.000 0.504 24 V N 0.456 120.387 119.914 0.027 0.000 2.581 24 V HA -0.053 4.067 4.120 0.000 0.000 0.240 24 V C 1.495 177.608 176.094 0.032 0.000 1.054 24 V CA 0.487 62.805 62.300 0.031 0.000 1.076 24 V CB -0.046 31.799 31.823 0.036 0.000 0.748 24 V HN 0.207 nan 8.190 nan 0.000 0.474 25 L N 1.543 122.787 121.223 0.034 0.000 2.858 25 L HA 0.094 4.434 4.340 0.000 0.000 0.243 25 L C 1.253 178.135 176.870 0.020 0.000 1.416 25 L CA 0.738 55.597 54.840 0.032 0.000 1.182 25 L CB -0.545 41.538 42.059 0.039 0.000 1.564 25 L HN 0.468 nan 8.230 nan 0.000 0.436 26 E N -0.455 119.754 120.200 0.016 0.000 2.537 26 E HA -0.027 4.323 4.350 0.000 0.000 0.191 26 E C 1.077 177.681 176.600 0.007 0.000 0.987 26 E CA 0.171 56.575 56.400 0.007 0.000 1.607 26 E CB 0.355 30.062 29.700 0.011 0.000 2.499 26 E HN 0.390 nan 8.360 nan 0.000 1.073 27 E N 0.714 120.924 120.200 0.017 0.000 2.498 27 E HA 0.249 4.599 4.350 0.000 0.000 0.203 27 E C 0.282 176.903 176.600 0.036 0.000 1.013 27 E CA 0.112 56.526 56.400 0.023 0.000 0.927 27 E CB 1.020 30.735 29.700 0.025 0.000 1.012 27 E HN 0.385 nan 8.360 nan 0.000 0.482 28 I N -1.174 119.419 120.570 0.038 0.000 2.441 28 I HA 0.374 4.544 4.170 0.000 0.000 0.295 28 I C 0.090 176.251 176.117 0.073 0.000 0.994 28 I CA -1.063 60.276 61.300 0.064 0.000 1.144 28 I CB 1.223 39.261 38.000 0.063 0.000 1.314 28 I HN -0.128 nan 8.210 nan 0.000 0.445 29 H N 7.317 126.394 119.070 0.012 0.000 2.848 29 H HA 0.190 4.746 4.556 0.000 0.000 0.341 29 H C -1.939 173.390 175.328 0.001 0.000 1.060 29 H CA -1.274 54.778 56.048 0.006 0.000 1.444 29 H CB 1.727 31.496 29.762 0.011 0.000 1.446 29 H HN 0.488 nan 8.280 nan 0.000 0.583 30 P HA -0.236 nan 4.420 nan 0.000 0.217 30 P C 1.599 178.988 177.300 0.148 0.000 1.158 30 P CA 1.405 64.531 63.100 0.043 0.000 0.887 30 P CB 0.371 32.017 31.700 -0.089 0.000 0.792 31 Q N -0.667 119.332 119.800 0.332 0.000 2.050 31 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 31 Q C 1.915 177.971 176.000 0.093 0.000 0.980 31 Q CA 1.522 57.417 55.803 0.154 0.000 0.840 31 Q CB -1.173 27.594 28.738 0.049 0.000 0.898 31 Q HN 0.295 nan 8.270 nan 0.000 0.424 32 D N 0.469 120.927 120.400 0.096 0.000 2.172 32 D HA -0.173 4.467 4.640 0.000 0.000 0.196 32 D C 1.917 178.269 176.300 0.088 0.000 0.999 32 D CA 0.689 54.731 54.000 0.070 0.000 0.856 32 D CB -0.156 40.689 40.800 0.074 0.000 0.934 32 D HN 0.122 nan 8.370 nan 0.000 0.453 33 L N 0.412 121.698 121.223 0.105 0.000 2.005 33 L HA -0.081 4.259 4.340 0.000 0.000 0.207 33 L C 2.218 179.191 176.870 0.171 0.000 1.072 33 L CA 1.436 56.358 54.840 0.137 0.000 0.744 33 L CB -0.808 41.325 42.059 0.122 0.000 0.895 33 L HN 0.052 nan 8.230 nan 0.000 0.433 34 L N -0.320 120.959 121.223 0.094 0.000 2.129 34 L HA -0.258 4.082 4.340 0.000 0.000 0.212 34 L C 2.642 179.591 176.870 0.132 0.000 1.087 34 L CA 1.256 56.138 54.840 0.069 0.000 0.757 34 L CB -0.911 41.153 42.059 0.009 0.000 0.896 34 L HN 0.461 nan 8.230 nan 0.000 0.434 35 A N -0.289 122.592 122.820 0.102 0.000 1.902 35 A HA -0.131 4.189 4.320 0.000 0.000 0.217 35 A C 1.772 179.416 177.584 0.099 0.000 1.181 35 A CA 1.436 53.523 52.037 0.083 0.000 0.623 35 A CB -0.405 18.626 19.000 0.053 0.000 0.818 35 A HN 0.336 nan 8.150 nan 0.000 0.443 36 L N -1.228 120.063 121.223 0.113 0.000 2.685 36 L HA 0.113 4.453 4.340 0.000 0.000 0.233 36 L C 1.539 178.478 176.870 0.115 0.000 1.173 36 L CA -0.018 54.873 54.840 0.085 0.000 0.961 36 L CB -0.379 41.711 42.059 0.051 0.000 1.217 36 L HN 0.702 nan 8.230 nan 0.000 0.478 37 W N 1.593 122.880 121.300 -0.022 0.000 2.441 37 W HA -0.124 4.536 4.660 -0.000 0.000 0.302 37 W C 1.341 177.841 176.519 -0.032 0.000 1.191 37 W CA 1.510 58.835 57.345 -0.035 0.000 1.327 37 W CB 0.204 29.635 29.460 -0.048 0.000 1.128 37 W HN 0.463 nan 8.180 nan 0.000 0.522 38 D N 0.122 120.619 120.400 0.161 0.000 2.363 38 D HA -0.146 4.494 4.640 0.000 0.000 0.226 38 D C 0.531 176.811 176.300 -0.033 0.000 1.020 38 D CA 0.664 54.697 54.000 0.054 0.000 0.892 38 D CB -0.685 40.189 40.800 0.124 0.000 0.900 38 D HN 0.378 nan 8.370 nan 0.000 0.531 39 E N 0.237 120.405 120.200 -0.054 0.000 2.499 39 E HA 0.265 4.615 4.350 0.000 0.000 0.199 39 E C 0.394 176.903 176.600 -0.151 0.000 1.016 39 E CA -0.202 56.154 56.400 -0.072 0.000 0.933 39 E CB 0.891 30.570 29.700 -0.035 0.000 1.050 39 E HN 0.282 nan 8.360 nan 0.000 0.462 40 L N 0.383 121.463 121.223 -0.239 0.000 2.341 40 L HA 0.502 4.842 4.340 0.000 0.000 0.267 40 L C 0.314 177.032 176.870 -0.253 0.000 1.022 40 L CA -1.230 53.414 54.840 -0.328 0.000 0.844 40 L CB 0.879 42.675 42.059 -0.438 0.000 1.436 40 L HN -0.123 nan 8.230 nan 0.000 0.483 41 K N -0.036 120.251 120.400 -0.189 0.000 2.156 41 K HA 0.295 4.615 4.320 0.000 0.000 0.250 41 K C 0.737 177.373 176.600 0.060 0.000 0.955 41 K CA -0.448 55.847 56.287 0.013 0.000 0.855 41 K CB 1.529 34.147 32.500 0.197 0.000 1.101 41 K HN 0.740 nan 8.250 nan 0.000 0.434 42 G N 0.863 109.697 108.800 0.056 0.000 2.564 42 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 42 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 42 G C 1.040 176.023 174.900 0.138 0.000 1.124 42 G CA 0.824 45.972 45.100 0.079 0.000 0.764 42 G HN 0.633 nan 8.290 nan 0.000 0.550 43 E N -0.673 119.616 120.200 0.148 0.000 2.094 43 E HA 0.026 4.377 4.350 0.000 0.000 0.193 43 E C 2.152 178.800 176.600 0.079 0.000 0.950 43 E CA 0.045 56.516 56.400 0.117 0.000 0.842 43 E CB 0.102 29.788 29.700 -0.024 0.000 0.816 43 E HN 0.511 nan 8.360 nan 0.000 0.465 44 H N 1.096 120.166 119.070 0.001 0.000 2.289 44 H HA -0.123 4.433 4.556 -0.000 0.000 0.296 44 H C 2.205 177.512 175.328 -0.036 0.000 1.091 44 H CA 1.919 57.949 56.048 -0.030 0.000 1.274 44 H CB -0.233 29.488 29.762 -0.070 0.000 1.364 44 H HN 0.011 nan 8.280 nan 0.000 0.490 45 R N -0.330 120.174 120.500 0.007 0.000 2.103 45 R HA -0.222 4.118 4.340 0.000 0.000 0.234 45 R C 2.130 178.585 176.300 0.259 0.000 1.132 45 R CA 1.729 57.733 56.100 -0.160 0.000 0.925 45 R CB -0.876 29.039 30.300 -0.643 0.000 0.842 45 R HN 0.367 nan 8.270 nan 0.000 0.430 46 Y N 1.165 121.612 120.300 0.245 0.000 2.538 46 Y HA -0.177 4.373 4.550 0.000 0.000 0.287 46 Y C 1.488 177.496 175.900 0.180 0.000 1.157 46 Y CA 0.800 59.059 58.100 0.266 0.000 1.338 46 Y CB 0.083 38.626 38.460 0.138 0.000 0.970 46 Y HN -0.145 nan 8.280 nan 0.000 0.564 47 V N -1.984 117.911 119.914 -0.032 0.000 3.523 47 V HA -0.064 4.056 4.120 0.000 0.000 0.255 47 V C 1.942 178.044 176.094 0.013 0.000 1.226 47 V CA 0.937 63.162 62.300 -0.125 0.000 1.092 47 V CB 0.481 32.236 31.823 -0.113 0.000 0.817 47 V HN 0.187 nan 8.190 nan 0.000 0.458 48 V N -0.219 119.758 119.914 0.106 0.000 2.488 48 V HA -0.028 4.092 4.120 0.000 0.000 0.246 48 V C 1.833 178.018 176.094 0.152 0.000 1.046 48 V CA 1.187 63.573 62.300 0.144 0.000 1.053 48 V CB -0.336 31.615 31.823 0.213 0.000 0.679 48 V HN 0.410 nan 8.190 nan 0.000 0.458 49 L N 1.591 122.941 121.223 0.211 0.000 2.798 49 L HA 0.015 4.355 4.340 0.000 0.000 0.254 49 L C 1.090 177.995 176.870 0.059 0.000 1.176 49 L CA 1.049 55.976 54.840 0.145 0.000 0.991 49 L CB -0.826 41.364 42.059 0.219 0.000 1.225 49 L HN 0.597 nan 8.230 nan 0.000 0.420 50 T N -5.625 108.960 114.554 0.053 0.000 3.403 50 T HA 0.308 4.658 4.350 0.000 0.000 0.308 50 T C 0.774 175.544 174.700 0.118 0.000 0.952 50 T CA -0.324 61.797 62.100 0.035 0.000 0.970 50 T CB 0.024 68.936 68.868 0.074 0.000 1.189 50 T HN 0.120 nan 8.240 nan 0.000 0.528 51 L N -0.455 120.818 121.223 0.085 0.000 2.664 51 L HA 0.560 4.900 4.340 0.000 0.000 0.198 51 L C 0.813 177.723 176.870 0.067 0.000 1.057 51 L CA -0.531 54.366 54.840 0.096 0.000 0.871 51 L CB -0.250 41.856 42.059 0.078 0.000 1.364 51 L HN 0.128 nan 8.230 nan 0.000 0.483 52 L N 3.040 124.289 121.223 0.043 0.000 2.536 52 L HA 0.005 4.345 4.340 0.000 0.000 0.294 52 L C -1.709 175.165 176.870 0.007 0.000 1.257 52 L CA -1.040 53.812 54.840 0.019 0.000 0.850 52 L CB -0.000 42.059 42.059 -0.000 0.000 1.105 52 L HN -0.029 nan 8.230 nan 0.000 0.517 53 P HA -0.005 nan 4.420 nan 0.000 0.270 53 P C 0.026 177.310 177.300 -0.028 0.000 1.223 53 P CA -0.241 62.856 63.100 -0.004 0.000 0.785 53 P CB 0.586 32.281 31.700 -0.009 0.000 0.923 54 K N 1.115 121.499 120.400 -0.026 0.000 2.071 54 K HA -0.276 4.044 4.320 0.000 0.000 0.217 54 K C 2.066 178.629 176.600 -0.063 0.000 1.054 54 K CA 2.527 58.786 56.287 -0.046 0.000 0.937 54 K CB -0.848 31.633 32.500 -0.033 0.000 0.719 54 K HN 0.526 nan 8.250 nan 0.000 0.454 55 A N 1.656 124.441 122.820 -0.059 0.000 1.834 55 A HA -0.244 4.076 4.320 0.000 0.000 0.216 55 A C 1.967 179.490 177.584 -0.101 0.000 1.203 55 A CA 1.989 53.980 52.037 -0.076 0.000 0.621 55 A CB -0.579 18.379 19.000 -0.069 0.000 0.841 55 A HN 0.242 nan 8.150 nan 0.000 0.446 56 K N -0.379 119.961 120.400 -0.100 0.000 2.059 56 K HA -0.217 4.103 4.320 0.000 0.000 0.212 56 K C 2.303 178.826 176.600 -0.127 0.000 1.050 56 K CA 1.480 57.696 56.287 -0.118 0.000 0.927 56 K CB -0.473 31.973 32.500 -0.090 0.000 0.714 56 K HN 0.480 nan 8.250 nan 0.000 0.447 57 A N 1.479 124.237 122.820 -0.103 0.000 1.883 57 A HA -0.184 4.136 4.320 0.000 0.000 0.217 57 A C 2.409 179.905 177.584 -0.147 0.000 1.186 57 A CA 2.089 54.059 52.037 -0.112 0.000 0.624 57 A CB -0.812 18.136 19.000 -0.087 0.000 0.822 57 A HN 0.388 nan 8.150 nan 0.000 0.444 58 A N -0.475 122.264 122.820 -0.134 0.000 1.877 58 A HA -0.142 4.178 4.320 0.000 0.000 0.216 58 A C 1.974 179.447 177.584 -0.186 0.000 1.186 58 A CA 2.180 54.135 52.037 -0.137 0.000 0.620 58 A CB -0.536 18.400 19.000 -0.107 0.000 0.822 58 A HN 0.566 nan 8.150 nan 0.000 0.443 59 E N 0.134 120.203 120.200 -0.219 0.000 2.012 59 E HA -0.153 4.197 4.350 0.000 0.000 0.197 59 E C 1.753 178.077 176.600 -0.460 0.000 1.007 59 E CA 1.940 58.137 56.400 -0.339 0.000 0.816 59 E CB -0.576 28.947 29.700 -0.295 0.000 0.762 59 E HN 0.226 nan 8.360 nan 0.000 0.451 60 V N 0.912 120.614 119.914 -0.354 0.000 2.660 60 V HA -0.233 3.887 4.120 0.000 0.000 0.257 60 V C 2.300 178.153 176.094 -0.402 0.000 1.088 60 V CA 1.557 63.639 62.300 -0.364 0.000 1.106 60 V CB -0.626 31.002 31.823 -0.325 0.000 0.686 60 V HN 0.280 nan 8.190 nan 0.000 0.481 61 L N 0.122 121.146 121.223 -0.331 0.000 2.127 61 L HA 0.047 4.387 4.340 0.000 0.000 0.203 61 L C 2.571 179.336 176.870 -0.175 0.000 1.080 61 L CA 2.066 56.741 54.840 -0.276 0.000 0.768 61 L CB -0.643 41.302 42.059 -0.191 0.000 0.924 61 L HN 0.303 nan 8.230 nan 0.000 0.444 62 S N -1.306 114.306 115.700 -0.147 0.000 2.465 62 S HA -0.182 4.288 4.470 0.000 0.000 0.241 62 S C 1.091 175.796 174.600 0.175 0.000 1.000 62 S CA 0.828 59.024 58.200 -0.007 0.000 0.964 62 S CB -0.688 62.515 63.200 0.005 0.000 0.763 62 S HN 0.700 nan 8.310 nan 0.000 0.512 63 H N 0.187 119.181 119.070 -0.127 0.000 2.533 63 H HA 0.457 5.013 4.556 0.000 0.000 0.281 63 H C -0.730 174.507 175.328 -0.152 0.000 1.238 63 H CA -0.489 55.489 56.048 -0.116 0.000 1.024 63 H CB 0.164 29.865 29.762 -0.102 0.000 1.604 63 H HN 0.251 nan 8.280 nan 0.000 0.531 64 L N 0.671 121.871 121.223 -0.038 0.000 2.388 64 L HA 0.232 4.572 4.340 0.000 0.000 0.264 64 L C 0.301 177.152 176.870 -0.032 0.000 0.998 64 L CA -0.924 53.861 54.840 -0.093 0.000 0.817 64 L CB 2.390 44.330 42.059 -0.199 0.000 1.338 64 L HN 0.190 nan 8.230 nan 0.000 0.414 65 S N 3.477 119.174 115.700 -0.005 0.000 2.599 65 S HA 0.019 4.489 4.470 0.000 0.000 0.303 65 S C -1.207 173.402 174.600 0.015 0.000 1.267 65 S CA -0.623 57.586 58.200 0.015 0.000 1.055 65 S CB 0.579 63.804 63.200 0.041 0.000 0.790 65 S HN 0.530 nan 8.310 nan 0.000 0.500 66 P HA -0.197 nan 4.420 nan 0.000 0.217 66 P C 1.081 178.390 177.300 0.015 0.000 1.148 66 P CA 1.518 64.621 63.100 0.005 0.000 0.834 66 P CB 0.116 31.815 31.700 -0.001 0.000 0.783 67 E N 0.097 120.313 120.200 0.027 0.000 2.122 67 E HA -0.119 4.231 4.350 0.000 0.000 0.190 67 E C 2.032 178.675 176.600 0.072 0.000 0.977 67 E CA 0.470 56.891 56.400 0.035 0.000 0.820 67 E CB -0.110 29.611 29.700 0.034 0.000 0.770 67 E HN 0.243 nan 8.360 nan 0.000 0.462 68 E N 0.144 120.400 120.200 0.093 0.000 2.268 68 E HA -0.168 4.182 4.350 0.000 0.000 0.195 68 E C 2.020 178.727 176.600 0.179 0.000 0.995 68 E CA 0.576 57.078 56.400 0.169 0.000 0.836 68 E CB 0.180 29.964 29.700 0.141 0.000 0.763 68 E HN 0.359 nan 8.360 nan 0.000 0.491 69 Q N 0.204 120.054 119.800 0.083 0.000 1.946 69 Q HA -0.058 4.282 4.340 0.000 0.000 0.199 69 Q C 2.283 178.335 176.000 0.088 0.000 0.979 69 Q CA 1.123 56.961 55.803 0.058 0.000 0.834 69 Q CB -0.227 28.517 28.738 0.010 0.000 0.899 69 Q HN 0.192 nan 8.270 nan 0.000 0.431 70 A N 1.114 123.955 122.820 0.035 0.000 2.186 70 A HA -0.253 4.067 4.320 0.000 0.000 0.219 70 A C 1.828 179.387 177.584 -0.041 0.000 1.159 70 A CA 1.760 53.783 52.037 -0.022 0.000 0.680 70 A CB -0.495 18.475 19.000 -0.050 0.000 0.787 70 A HN 0.439 nan 8.150 nan 0.000 0.467 71 E N -1.037 119.195 120.200 0.054 0.000 2.072 71 E HA -0.159 4.191 4.350 0.000 0.000 0.191 71 E C 0.751 177.311 176.600 -0.067 0.000 0.985 71 E CA 1.209 57.619 56.400 0.016 0.000 0.801 71 E CB -0.317 29.473 29.700 0.150 0.000 0.750 71 E HN 0.660 nan 8.360 nan 0.000 0.452 72 Y N -0.133 120.178 120.300 0.018 0.000 2.583 72 Y HA 0.301 4.851 4.550 -0.000 0.000 0.294 72 Y C 0.865 176.781 175.900 0.027 0.000 1.170 72 Y CA 0.047 58.182 58.100 0.059 0.000 1.265 72 Y CB 0.396 38.939 38.460 0.137 0.000 1.119 72 Y HN 0.105 nan 8.280 nan 0.000 0.522 73 L N -0.816 120.432 121.223 0.041 0.000 2.858 73 L HA 0.182 4.522 4.340 0.000 0.000 0.251 73 L C 1.318 178.149 176.870 -0.064 0.000 1.149 73 L CA 0.421 55.272 54.840 0.018 0.000 0.955 73 L CB 0.384 42.442 42.059 -0.002 0.000 1.289 73 L HN 0.053 nan 8.230 nan 0.000 0.542 74 K N -1.500 118.814 120.400 -0.144 0.000 2.412 74 K HA 0.124 4.444 4.320 0.000 0.000 0.202 74 K C 1.573 178.154 176.600 -0.032 0.000 1.102 74 K CA 0.809 57.005 56.287 -0.152 0.000 1.027 74 K CB 0.963 33.272 32.500 -0.318 0.000 0.931 74 K HN 0.246 nan 8.250 nan 0.000 0.557 75 T N -1.080 113.430 114.554 -0.073 0.000 3.044 75 T HA 0.171 4.521 4.350 0.000 0.000 0.237 75 T C 0.907 175.685 174.700 0.129 0.000 1.001 75 T CA -0.385 61.656 62.100 -0.098 0.000 1.160 75 T CB -0.091 68.573 68.868 -0.338 0.000 0.889 75 T HN -0.170 nan 8.240 nan 0.000 0.442 76 L N 4.278 125.616 121.223 0.191 0.000 2.628 76 L HA 0.153 4.493 4.340 0.000 0.000 0.292 76 L C -1.909 175.057 176.870 0.161 0.000 1.250 76 L CA -0.514 54.467 54.840 0.234 0.000 0.892 76 L CB -0.571 41.579 42.059 0.152 0.000 1.138 76 L HN 0.303 nan 8.230 nan 0.000 0.502 77 P HA 0.049 nan 4.420 nan 0.000 0.263 77 P C -1.989 175.321 177.300 0.017 0.000 1.195 77 P CA -1.172 62.022 63.100 0.157 0.000 0.762 77 P CB 0.032 31.929 31.700 0.329 0.000 0.799 78 P HA -0.144 nan 4.420 nan 0.000 0.224 78 P C 1.426 178.769 177.300 0.072 0.000 1.142 78 P CA 1.346 64.486 63.100 0.066 0.000 0.778 78 P CB -0.433 31.319 31.700 0.087 0.000 0.764 79 W N 1.034 122.355 121.300 0.037 0.000 2.800 79 W HA 0.126 4.786 4.660 0.000 0.000 0.249 79 W C 1.509 178.043 176.519 0.024 0.000 1.294 79 W CA 0.136 57.495 57.345 0.023 0.000 1.402 79 W CB -1.092 28.378 29.460 0.018 0.000 1.126 79 W HN -0.050 nan 8.180 nan 0.000 0.652 80 R N 0.809 120.806 120.500 -0.837 0.000 2.282 80 R HA 0.136 4.476 4.340 0.000 0.000 0.195 80 R C 2.280 178.357 176.300 -0.371 0.000 0.909 80 R CA 0.246 55.803 56.100 -0.904 0.000 1.039 80 R CB -0.405 29.207 30.300 -1.147 0.000 1.015 80 R HN 0.085 nan 8.270 nan 0.000 0.513 81 L N 1.454 122.548 121.223 -0.214 0.000 1.976 81 L HA -0.169 4.171 4.340 0.000 0.000 0.209 81 L C 2.380 179.209 176.870 -0.068 0.000 1.071 81 L CA 2.031 56.815 54.840 -0.093 0.000 0.746 81 L CB -0.647 41.401 42.059 -0.019 0.000 0.890 81 L HN 0.324 nan 8.230 nan 0.000 0.432 82 R N -0.244 120.228 120.500 -0.047 0.000 2.377 82 R HA -0.116 4.224 4.340 0.000 0.000 0.207 82 R C 1.494 177.773 176.300 -0.035 0.000 1.075 82 R CA 0.871 56.955 56.100 -0.027 0.000 1.035 82 R CB -0.158 30.138 30.300 -0.006 0.000 0.857 82 R HN 0.421 nan 8.270 nan 0.000 0.475 83 E N 1.037 121.194 120.200 -0.071 0.000 2.132 83 E HA 0.084 4.434 4.350 0.000 0.000 0.193 83 E C 2.064 178.615 176.600 -0.081 0.000 0.951 83 E CA 0.599 56.955 56.400 -0.073 0.000 0.843 83 E CB 0.030 29.659 29.700 -0.118 0.000 0.807 83 E HN 0.354 nan 8.360 nan 0.000 0.467 84 I N 1.521 122.027 120.570 -0.107 0.000 2.233 84 I HA -0.203 3.967 4.170 0.000 0.000 0.243 84 I C 2.341 178.421 176.117 -0.062 0.000 1.093 84 I CA 0.707 61.953 61.300 -0.091 0.000 1.380 84 I CB -0.267 37.670 38.000 -0.104 0.000 1.067 84 I HN 0.030 nan 8.210 nan 0.000 0.413 85 L N 0.275 121.470 121.223 -0.047 0.000 2.351 85 L HA -0.212 4.128 4.340 0.000 0.000 0.220 85 L C 2.407 179.260 176.870 -0.028 0.000 1.127 85 L CA 1.110 55.933 54.840 -0.027 0.000 0.786 85 L CB -0.652 41.400 42.059 -0.012 0.000 0.914 85 L HN 0.358 nan 8.230 nan 0.000 0.443 86 E N 0.224 120.404 120.200 -0.034 0.000 2.057 86 E HA -0.123 4.227 4.350 0.000 0.000 0.191 86 E C 1.390 177.969 176.600 -0.035 0.000 0.959 86 E CA 0.471 56.853 56.400 -0.030 0.000 0.828 86 E CB 0.090 29.774 29.700 -0.026 0.000 0.800 86 E HN 0.211 nan 8.360 nan 0.000 0.460 87 E N 0.921 121.097 120.200 -0.040 0.000 2.357 87 E HA -0.029 4.321 4.350 0.000 0.000 0.194 87 E C -0.701 175.867 176.600 -0.054 0.000 1.177 87 E CA -0.019 56.354 56.400 -0.044 0.000 0.998 87 E CB -0.353 29.320 29.700 -0.046 0.000 1.106 87 E HN -0.132 nan 8.360 nan 0.000 0.470 88 L N 0.178 121.371 121.223 -0.050 0.000 2.325 88 L HA 0.388 4.728 4.340 0.000 0.000 0.281 88 L C -0.323 176.522 176.870 -0.041 0.000 1.004 88 L CA -0.494 54.313 54.840 -0.054 0.000 0.823 88 L CB 1.540 43.567 42.059 -0.053 0.000 1.236 88 L HN -0.122 nan 8.230 nan 0.000 0.415 89 S N 3.588 119.264 115.700 -0.040 0.000 2.571 89 S HA -0.053 4.417 4.470 0.000 0.000 0.298 89 S C 1.444 176.030 174.600 -0.024 0.000 1.280 89 S CA 0.287 58.470 58.200 -0.029 0.000 1.052 89 S CB 0.132 63.319 63.200 -0.021 0.000 0.799 89 S HN 0.798 nan 8.310 nan 0.000 0.501 90 L N 3.385 124.593 121.223 -0.026 0.000 2.017 90 L HA -0.124 4.216 4.340 0.000 0.000 0.208 90 L C 2.421 179.281 176.870 -0.017 0.000 1.073 90 L CA 2.064 56.889 54.840 -0.024 0.000 0.745 90 L CB -0.543 41.496 42.059 -0.034 0.000 0.894 90 L HN 0.940 nan 8.230 nan 0.000 0.432 91 D N -0.839 119.553 120.400 -0.014 0.000 2.104 91 D HA -0.289 4.351 4.640 0.000 0.000 0.194 91 D C 1.514 177.812 176.300 -0.003 0.000 0.994 91 D CA 1.787 55.783 54.000 -0.006 0.000 0.830 91 D CB -0.784 40.015 40.800 -0.002 0.000 0.959 91 D HN 0.375 nan 8.370 nan 0.000 0.452 92 D N 0.098 120.499 120.400 0.000 0.000 2.182 92 D HA -0.108 4.532 4.640 0.000 0.000 0.201 92 D C 2.264 178.563 176.300 -0.001 0.000 0.986 92 D CA 0.458 54.462 54.000 0.006 0.000 0.847 92 D CB 0.062 40.870 40.800 0.013 0.000 0.942 92 D HN 0.222 nan 8.370 nan 0.000 0.467 93 L N 0.976 122.196 121.223 -0.005 0.000 2.034 93 L HA -0.058 4.282 4.340 0.000 0.000 0.203 93 L C 2.417 179.291 176.870 0.006 0.000 1.074 93 L CA 1.507 56.347 54.840 -0.000 0.000 0.748 93 L CB -0.594 41.464 42.059 -0.001 0.000 0.905 93 L HN -0.082 nan 8.230 nan 0.000 0.439 94 A N -0.192 122.629 122.820 0.001 0.000 1.873 94 A HA -0.374 3.946 4.320 0.000 0.000 0.219 94 A C 2.053 179.629 177.584 -0.013 0.000 1.269 94 A CA 2.571 54.606 52.037 -0.003 0.000 0.671 94 A CB -1.335 17.656 19.000 -0.014 0.000 0.842 94 A HN 0.592 nan 8.150 nan 0.000 0.460 95 D N -0.444 119.948 120.400 -0.013 0.000 2.104 95 D HA -0.107 4.533 4.640 0.000 0.000 0.194 95 D C 2.290 178.579 176.300 -0.019 0.000 0.994 95 D CA 1.716 55.705 54.000 -0.019 0.000 0.830 95 D CB -0.471 40.322 40.800 -0.012 0.000 0.959 95 D HN 0.490 nan 8.370 nan 0.000 0.452 96 A N 0.959 123.775 122.820 -0.008 0.000 1.877 96 A HA -0.122 4.198 4.320 0.000 0.000 0.216 96 A C 2.341 179.928 177.584 0.005 0.000 1.186 96 A CA 0.818 52.853 52.037 -0.003 0.000 0.620 96 A CB -0.881 18.118 19.000 -0.002 0.000 0.822 96 A HN 0.216 nan 8.150 nan 0.000 0.443 97 L N -0.346 120.889 121.223 0.021 0.000 2.079 97 L HA -0.279 4.061 4.340 0.000 0.000 0.210 97 L C 2.769 179.646 176.870 0.012 0.000 1.081 97 L CA 1.874 56.752 54.840 0.062 0.000 0.752 97 L CB -0.284 41.841 42.059 0.110 0.000 0.896 97 L HN 0.511 nan 8.230 nan 0.000 0.433 98 Q N -1.019 118.743 119.800 -0.062 0.000 2.167 98 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 98 Q C 2.343 178.284 176.000 -0.098 0.000 0.970 98 Q CA 1.211 56.925 55.803 -0.148 0.000 0.855 98 Q CB -0.345 28.314 28.738 -0.132 0.000 0.911 98 Q HN 0.651 nan 8.270 nan 0.000 0.438 99 A N 0.761 123.551 122.820 -0.049 0.000 1.958 99 A HA -0.203 4.117 4.320 0.000 0.000 0.221 99 A C 2.352 179.916 177.584 -0.034 0.000 1.178 99 A CA 1.674 53.691 52.037 -0.033 0.000 0.642 99 A CB -0.839 18.152 19.000 -0.015 0.000 0.816 99 A HN 0.230 nan 8.150 nan 0.000 0.453 100 V N -0.311 119.588 119.914 -0.024 0.000 2.295 100 V HA -0.268 3.852 4.120 0.000 0.000 0.246 100 V C 2.573 178.661 176.094 -0.009 0.000 1.049 100 V CA 2.248 64.537 62.300 -0.018 0.000 1.024 100 V CB -0.825 31.022 31.823 0.040 0.000 0.648 100 V HN 0.674 nan 8.190 nan 0.000 0.447 101 R N 0.574 121.046 120.500 -0.046 0.000 2.133 101 R HA -0.244 4.096 4.340 0.000 0.000 0.247 101 R C 2.169 178.439 176.300 -0.051 0.000 1.151 101 R CA 1.882 57.930 56.100 -0.088 0.000 0.971 101 R CB -0.224 29.892 30.300 -0.307 0.000 0.866 101 R HN 0.520 nan 8.270 nan 0.000 0.447 102 K N -0.419 119.949 120.400 -0.053 0.000 2.515 102 K HA -0.106 4.214 4.320 0.000 0.000 0.196 102 K C 1.256 177.848 176.600 -0.014 0.000 1.038 102 K CA 1.114 57.382 56.287 -0.032 0.000 0.967 102 K CB 0.160 32.643 32.500 -0.029 0.000 0.780 102 K HN 0.427 nan 8.250 nan 0.000 0.483 103 E N -0.216 119.978 120.200 -0.011 0.000 2.357 103 E HA 0.026 4.376 4.350 0.000 0.000 0.202 103 E C -0.061 176.548 176.600 0.014 0.000 0.855 103 E CA 0.120 56.515 56.400 -0.007 0.000 1.048 103 E CB 0.718 30.399 29.700 -0.030 0.000 1.037 103 E HN 0.048 nan 8.360 nan 0.000 0.499 104 D N 0.799 121.223 120.400 0.039 0.000 2.346 104 D HA 0.104 4.744 4.640 0.000 0.000 0.255 104 D C -2.127 174.262 176.300 0.149 0.000 1.276 104 D CA -1.845 52.211 54.000 0.094 0.000 0.941 104 D CB 1.568 42.444 40.800 0.127 0.000 1.199 104 D HN -0.120 nan 8.370 nan 0.000 0.537 105 P HA -0.069 nan 4.420 nan 0.000 0.229 105 P C 0.755 178.168 177.300 0.189 0.000 1.150 105 P CA 0.485 63.673 63.100 0.147 0.000 0.765 105 P CB 0.573 32.327 31.700 0.090 0.000 0.783 106 A N -1.158 121.762 122.820 0.166 0.000 1.938 106 A HA -0.009 4.311 4.320 0.000 0.000 0.207 106 A C 2.187 179.854 177.584 0.137 0.000 1.292 106 A CA 0.116 52.225 52.037 0.120 0.000 0.700 106 A CB -1.494 17.553 19.000 0.079 0.000 0.947 106 A HN -0.001 nan 8.150 nan 0.000 0.476 107 Y N -0.388 119.951 120.300 0.065 0.000 2.228 107 Y HA -0.333 4.217 4.550 -0.000 0.000 0.285 107 Y C 1.995 177.944 175.900 0.082 0.000 1.178 107 Y CA 2.296 60.429 58.100 0.056 0.000 1.202 107 Y CB -0.287 38.209 38.460 0.059 0.000 0.974 107 Y HN 0.424 nan 8.280 nan 0.000 0.527 108 F N 1.182 121.250 119.950 0.197 0.000 2.010 108 F HA -0.286 4.241 4.527 0.000 0.000 0.296 108 F C 2.584 178.414 175.800 0.050 0.000 1.146 108 F CA 2.197 60.268 58.000 0.118 0.000 1.181 108 F CB -1.354 37.689 39.000 0.071 0.000 0.965 108 F HN 0.139 nan 8.300 nan 0.000 0.480 109 Q N 0.787 120.355 119.800 -0.388 0.000 2.197 109 Q HA -0.233 4.107 4.340 0.000 0.000 0.211 109 Q C 2.160 177.956 176.000 -0.340 0.000 0.993 109 Q CA 2.115 57.628 55.803 -0.484 0.000 0.883 109 Q CB -0.303 28.331 28.738 -0.174 0.000 0.916 109 Q HN 0.435 nan 8.270 nan 0.000 0.418 110 R N -0.342 120.020 120.500 -0.229 0.000 2.051 110 R HA 0.011 4.351 4.340 0.000 0.000 0.225 110 R C 2.449 178.613 176.300 -0.226 0.000 1.155 110 R CA 1.149 57.115 56.100 -0.224 0.000 0.945 110 R CB -1.088 29.056 30.300 -0.258 0.000 0.840 110 R HN 0.431 nan 8.270 nan 0.000 0.432 111 L N 2.003 123.094 121.223 -0.219 0.000 2.129 111 L HA -0.220 4.120 4.340 0.000 0.000 0.212 111 L C 2.559 179.384 176.870 -0.076 0.000 1.087 111 L CA 1.577 56.357 54.840 -0.100 0.000 0.757 111 L CB -0.221 41.935 42.059 0.161 0.000 0.896 111 L HN 0.160 nan 8.230 nan 0.000 0.434 112 K N -0.238 120.061 120.400 -0.168 0.000 2.103 112 K HA -0.235 4.085 4.320 0.000 0.000 0.207 112 K C 1.512 178.024 176.600 -0.145 0.000 1.048 112 K CA 1.919 58.085 56.287 -0.202 0.000 0.930 112 K CB -0.083 32.117 32.500 -0.500 0.000 0.716 112 K HN 0.421 nan 8.250 nan 0.000 0.444 113 D N 1.059 121.368 120.400 -0.152 0.000 2.149 113 D HA -0.171 4.469 4.640 0.000 0.000 0.198 113 D C 1.798 178.054 176.300 -0.073 0.000 0.990 113 D CA 0.977 54.911 54.000 -0.110 0.000 0.839 113 D CB -0.223 40.511 40.800 -0.110 0.000 0.948 113 D HN 0.279 nan 8.370 nan 0.000 0.460 114 L N -0.040 121.144 121.223 -0.065 0.000 2.447 114 L HA -0.099 4.241 4.340 0.000 0.000 0.225 114 L C 0.907 177.759 176.870 -0.031 0.000 1.148 114 L CA -0.063 54.754 54.840 -0.039 0.000 0.808 114 L CB -0.444 41.598 42.059 -0.028 0.000 0.928 114 L HN 0.071 nan 8.230 nan 0.000 0.448 115 L N 0.910 122.111 121.223 -0.037 0.000 2.326 115 L HA 0.193 4.533 4.340 0.000 0.000 0.278 115 L C 0.127 176.979 176.870 -0.030 0.000 1.092 115 L CA -0.350 54.473 54.840 -0.028 0.000 0.810 115 L CB 0.809 42.854 42.059 -0.024 0.000 1.153 115 L HN -0.037 nan 8.230 nan 0.000 0.439 116 D N 6.081 126.466 120.400 -0.024 0.000 2.472 116 D HA 0.049 4.689 4.640 0.000 0.000 0.248 116 D C -1.799 174.485 176.300 -0.026 0.000 1.174 116 D CA -0.968 53.018 54.000 -0.023 0.000 0.883 116 D CB 1.180 41.969 40.800 -0.019 0.000 1.149 116 D HN 0.405 nan 8.370 nan 0.000 0.488 117 P HA -0.179 nan 4.420 nan 0.000 0.219 117 P C 0.819 178.104 177.300 -0.025 0.000 1.144 117 P CA 1.317 64.400 63.100 -0.028 0.000 0.806 117 P CB 0.129 31.813 31.700 -0.026 0.000 0.771 118 R N -1.660 118.826 120.500 -0.023 0.000 2.092 118 R HA -0.013 4.327 4.340 0.000 0.000 0.231 118 R C 1.918 178.203 176.300 -0.027 0.000 1.119 118 R CA 1.597 57.683 56.100 -0.023 0.000 0.970 118 R CB -1.096 29.192 30.300 -0.021 0.000 0.864 118 R HN 0.209 nan 8.270 nan 0.000 0.440 119 T N 0.473 115.012 114.554 -0.026 0.000 2.983 119 T HA 0.005 4.355 4.350 0.000 0.000 0.250 119 T C 1.677 176.362 174.700 -0.026 0.000 1.037 119 T CA 0.383 62.466 62.100 -0.028 0.000 1.142 119 T CB -0.021 68.832 68.868 -0.025 0.000 0.876 119 T HN 0.229 nan 8.240 nan 0.000 0.455 120 R N 1.752 122.238 120.500 -0.024 0.000 2.133 120 R HA -0.191 4.149 4.340 0.000 0.000 0.245 120 R C 2.420 178.707 176.300 -0.022 0.000 1.137 120 R CA 2.026 58.112 56.100 -0.023 0.000 0.947 120 R CB -0.661 29.619 30.300 -0.034 0.000 0.865 120 R HN 0.345 nan 8.270 nan 0.000 0.437 121 A N 0.202 123.006 122.820 -0.027 0.000 2.076 121 A HA -0.199 4.121 4.320 0.000 0.000 0.220 121 A C 1.942 179.504 177.584 -0.035 0.000 1.160 121 A CA 1.782 53.803 52.037 -0.028 0.000 0.653 121 A CB -0.404 18.580 19.000 -0.026 0.000 0.801 121 A HN 0.607 nan 8.150 nan 0.000 0.455 122 E N -0.493 119.685 120.200 -0.038 0.000 2.076 122 E HA -0.055 4.295 4.350 0.000 0.000 0.190 122 E C 1.707 178.274 176.600 -0.055 0.000 0.979 122 E CA 1.258 57.628 56.400 -0.049 0.000 0.807 122 E CB -0.081 29.589 29.700 -0.050 0.000 0.761 122 E HN 0.262 nan 8.360 nan 0.000 0.454 123 V N 1.383 121.277 119.914 -0.034 0.000 2.871 123 V HA -0.074 4.046 4.120 0.000 0.000 0.256 123 V C 1.375 177.461 176.094 -0.013 0.000 1.082 123 V CA 1.263 63.552 62.300 -0.019 0.000 1.105 123 V CB -0.392 31.441 31.823 0.017 0.000 0.713 123 V HN 0.232 nan 8.190 nan 0.000 0.473 124 E N 0.156 120.350 120.200 -0.011 0.000 2.382 124 E HA 0.177 4.527 4.350 0.000 0.000 0.190 124 E C 1.386 177.949 176.600 -0.060 0.000 1.125 124 E CA 0.675 57.075 56.400 -0.000 0.000 0.929 124 E CB 0.241 29.942 29.700 0.000 0.000 1.053 124 E HN 0.610 nan 8.360 nan 0.000 0.475 125 A N -0.257 122.489 122.820 -0.123 0.000 2.295 125 A HA 0.191 4.511 4.320 0.000 0.000 0.193 125 A C 1.510 178.831 177.584 -0.438 0.000 1.512 125 A CA -0.314 51.576 52.037 -0.244 0.000 1.103 125 A CB 0.294 19.178 19.000 -0.194 0.000 1.331 125 A HN 0.168 nan 8.150 nan 0.000 0.501 126 L N -0.067 120.992 121.223 -0.273 0.000 2.591 126 L HA 0.163 4.503 4.340 0.000 0.000 0.228 126 L C 2.166 178.931 176.870 -0.174 0.000 1.133 126 L CA 0.776 55.467 54.840 -0.249 0.000 0.880 126 L CB 0.258 42.254 42.059 -0.105 0.000 1.033 126 L HN 0.468 nan 8.230 nan 0.000 0.450 127 A N -0.348 122.374 122.820 -0.164 0.000 2.197 127 A HA 0.058 4.378 4.320 0.000 0.000 0.210 127 A C 2.081 179.609 177.584 -0.094 0.000 1.180 127 A CA -0.008 51.965 52.037 -0.107 0.000 0.846 127 A CB 0.011 18.962 19.000 -0.081 0.000 0.884 127 A HN 0.282 nan 8.150 nan 0.000 0.487 128 R N -1.189 119.216 120.500 -0.157 0.000 2.276 128 R HA 0.099 4.439 4.340 0.000 0.000 0.203 128 R C -0.523 175.850 176.300 0.122 0.000 1.017 128 R CA 0.309 56.370 56.100 -0.066 0.000 1.010 128 R CB -0.116 30.120 30.300 -0.106 0.000 0.900 128 R HN 0.605 nan 8.270 nan 0.000 0.469 129 Y N 1.821 122.110 120.300 -0.018 0.000 2.330 129 Y HA 0.154 4.704 4.550 -0.000 0.000 0.336 129 Y C 0.777 176.661 175.900 -0.028 0.000 1.036 129 Y CA -1.317 56.769 58.100 -0.022 0.000 1.125 129 Y CB 1.021 39.468 38.460 -0.022 0.000 1.194 129 Y HN -0.085 nan 8.280 nan 0.000 0.469 130 E N 2.264 122.541 120.200 0.128 0.000 2.442 130 E HA -0.091 4.259 4.350 0.000 0.000 0.260 130 E C 0.146 176.770 176.600 0.041 0.000 1.148 130 E CA 0.212 56.643 56.400 0.051 0.000 0.976 130 E CB 0.599 30.310 29.700 0.018 0.000 0.967 130 E HN 0.774 nan 8.360 nan 0.000 0.454 131 E N 0.781 120.989 120.200 0.013 0.000 2.489 131 E HA -0.065 4.285 4.350 0.000 0.000 0.193 131 E C 0.255 176.852 176.600 -0.006 0.000 1.057 131 E CA 0.181 56.583 56.400 0.003 0.000 0.866 131 E CB 0.225 29.919 29.700 -0.009 0.000 0.916 131 E HN 0.334 nan 8.360 nan 0.000 0.500 132 D N 1.356 121.751 120.400 -0.008 0.000 2.259 132 D HA 0.010 4.650 4.640 0.000 0.000 0.216 132 D C 0.543 176.827 176.300 -0.027 0.000 0.961 132 D CA 0.580 54.568 54.000 -0.019 0.000 0.878 132 D CB 0.169 40.957 40.800 -0.021 0.000 1.009 132 D HN 0.154 nan 8.370 nan 0.000 0.490 133 E N 0.347 120.531 120.200 -0.028 0.000 2.369 133 E HA 0.366 4.716 4.350 0.000 0.000 0.255 133 E C 1.142 177.716 176.600 -0.044 0.000 1.172 133 E CA -0.186 56.182 56.400 -0.053 0.000 0.932 133 E CB 0.870 30.522 29.700 -0.079 0.000 1.040 133 E HN -0.023 nan 8.360 nan 0.000 0.454 134 A N 1.778 124.555 122.820 -0.073 0.000 1.881 134 A HA -0.283 4.037 4.320 0.000 0.000 0.219 134 A C 2.142 179.725 177.584 -0.002 0.000 1.215 134 A CA 2.501 54.505 52.037 -0.055 0.000 0.648 134 A CB -1.862 17.084 19.000 -0.090 0.000 0.832 134 A HN 0.838 nan 8.150 nan 0.000 0.455 135 G N -0.619 108.190 108.800 0.014 0.000 2.808 135 G HA2 -0.234 3.726 3.960 0.000 0.000 0.225 135 G HA3 -0.234 3.726 3.960 0.000 0.000 0.225 135 G C 1.557 176.555 174.900 0.162 0.000 1.210 135 G CA 1.648 46.895 45.100 0.245 0.000 0.777 135 G HN 1.311 nan 8.290 nan 0.000 0.640 136 G N -0.346 108.519 108.800 0.107 0.000 2.780 136 G HA2 0.186 4.146 3.960 0.000 0.000 0.205 136 G HA3 0.186 4.146 3.960 0.000 0.000 0.205 136 G C 1.242 176.157 174.900 0.025 0.000 1.158 136 G CA 0.869 45.999 45.100 0.051 0.000 0.812 136 G HN 0.497 nan 8.290 nan 0.000 0.521 137 L N -1.178 120.061 121.223 0.027 0.000 2.953 137 L HA 0.316 4.656 4.340 0.000 0.000 0.258 137 L C 1.274 178.150 176.870 0.011 0.000 1.100 137 L CA -0.239 54.606 54.840 0.008 0.000 0.971 137 L CB -0.042 42.014 42.059 -0.004 0.000 1.474 137 L HN 0.234 nan 8.230 nan 0.000 0.540 138 M N 0.368 119.983 119.600 0.025 0.000 2.219 138 M HA 0.312 4.792 4.480 0.000 0.000 0.353 138 M C 0.040 176.354 176.300 0.024 0.000 1.304 138 M CA 0.586 55.902 55.300 0.026 0.000 1.115 138 M CB 0.691 33.317 32.600 0.044 0.000 1.664 138 M HN -0.104 nan 8.290 nan 0.000 0.459 139 T N 3.644 118.206 114.554 0.012 0.000 2.795 139 T HA 0.492 4.842 4.350 0.000 0.000 0.282 139 T C -1.726 172.962 174.700 -0.021 0.000 0.980 139 T CA -1.929 60.168 62.100 -0.006 0.000 1.012 139 T CB 1.275 70.138 68.868 -0.009 0.000 0.936 139 T HN 0.659 nan 8.240 nan 0.000 0.457 140 P HA 0.067 nan 4.420 nan 0.000 0.236 140 P C 0.065 177.142 177.300 -0.371 0.000 1.177 140 P CA 0.390 63.361 63.100 -0.216 0.000 0.773 140 P CB 0.267 31.857 31.700 -0.183 0.000 0.878 141 E N 0.962 121.054 120.200 -0.180 0.000 1.999 141 E HA 0.058 4.408 4.350 0.000 0.000 0.296 141 E C -0.131 176.460 176.600 -0.015 0.000 1.187 141 E CA -0.250 56.071 56.400 -0.133 0.000 1.229 141 E CB -0.487 29.175 29.700 -0.062 0.000 1.131 141 E HN 0.376 nan 8.360 nan 0.000 0.478 142 Y N -2.004 118.305 120.300 0.016 0.000 2.699 142 Y HA 0.606 5.156 4.550 -0.000 0.000 0.326 142 Y C -0.194 175.757 175.900 0.085 0.000 1.141 142 Y CA -2.061 56.062 58.100 0.038 0.000 1.246 142 Y CB 0.216 38.662 38.460 -0.024 0.000 1.426 142 Y HN -0.202 nan 8.280 nan 0.000 0.559 143 V N 1.603 121.816 119.914 0.500 0.000 2.326 143 V HA 0.779 4.899 4.120 0.000 0.000 0.281 143 V C -0.358 175.838 176.094 0.170 0.000 1.015 143 V CA -0.606 61.888 62.300 0.322 0.000 0.823 143 V CB 0.006 31.959 31.823 0.217 0.000 1.009 143 V HN 1.030 nan 8.190 nan 0.000 0.436 144 A N 5.224 128.113 122.820 0.114 0.000 2.319 144 A HA 0.915 5.235 4.320 0.000 0.000 0.310 144 A C -0.322 177.187 177.584 -0.125 0.000 1.152 144 A CA -0.488 51.517 52.037 -0.053 0.000 0.783 144 A CB 1.716 20.650 19.000 -0.110 0.000 1.184 144 A HN 1.105 nan 8.150 nan 0.000 0.474 145 V N 0.345 120.167 119.914 -0.154 0.000 3.240 145 V HA 0.929 5.049 4.120 0.000 0.000 0.306 145 V C -0.108 175.915 176.094 -0.117 0.000 1.227 145 V CA -1.054 61.120 62.300 -0.210 0.000 1.047 145 V CB 1.274 32.960 31.823 -0.228 0.000 1.203 145 V HN 1.038 nan 8.190 nan 0.000 0.471 146 R N -0.290 120.149 120.500 -0.102 0.000 2.778 146 R HA 0.439 4.779 4.340 0.000 0.000 0.277 146 R C 1.179 177.449 176.300 -0.051 0.000 0.977 146 R CA 0.221 56.286 56.100 -0.059 0.000 0.950 146 R CB 1.591 31.869 30.300 -0.038 0.000 1.165 146 R HN 0.951 nan 8.270 nan 0.000 0.474 147 E N 1.634 121.811 120.200 -0.039 0.000 2.153 147 E HA -0.069 4.281 4.350 0.000 0.000 0.194 147 E C 0.413 176.996 176.600 -0.028 0.000 0.988 147 E CA 1.241 57.620 56.400 -0.035 0.000 0.811 147 E CB -0.080 29.603 29.700 -0.028 0.000 0.746 147 E HN 0.656 nan 8.360 nan 0.000 0.466 148 G N 1.165 109.952 108.800 -0.022 0.000 3.717 148 G HA2 0.414 4.374 3.960 0.000 0.000 0.258 148 G HA3 0.414 4.374 3.960 0.000 0.000 0.258 148 G C -0.422 174.471 174.900 -0.011 0.000 1.088 148 G CA -0.383 44.709 45.100 -0.014 0.000 1.737 148 G HN 0.051 nan 8.290 nan 0.000 0.648 149 M N -0.190 119.400 119.600 -0.016 0.000 2.846 149 M HA 0.489 4.969 4.480 0.000 0.000 0.282 149 M C 0.209 176.504 176.300 -0.009 0.000 1.266 149 M CA -0.766 54.528 55.300 -0.010 0.000 0.766 149 M CB 2.326 34.916 32.600 -0.018 0.000 1.739 149 M HN 0.186 nan 8.290 nan 0.000 0.442 150 T N -2.117 112.438 114.554 0.001 0.000 2.919 150 T HA 0.530 4.880 4.350 0.000 0.000 0.282 150 T C 0.607 175.308 174.700 0.002 0.000 1.020 150 T CA -0.915 61.186 62.100 0.001 0.000 0.994 150 T CB 1.095 69.968 68.868 0.009 0.000 1.180 150 T HN 0.329 nan 8.240 nan 0.000 0.566 151 V N 0.373 120.288 119.914 0.001 0.000 2.346 151 V HA -0.011 4.109 4.120 0.000 0.000 0.244 151 V C 2.709 178.813 176.094 0.018 0.000 1.037 151 V CA 1.793 64.094 62.300 0.003 0.000 1.029 151 V CB -0.879 30.942 31.823 -0.003 0.000 0.663 151 V HN 1.051 nan 8.190 nan 0.000 0.454 152 E N -0.101 120.110 120.200 0.019 0.000 2.401 152 E HA -0.257 4.093 4.350 0.000 0.000 0.199 152 E C 2.091 178.717 176.600 0.043 0.000 1.023 152 E CA 1.137 57.553 56.400 0.027 0.000 0.859 152 E CB 0.123 29.836 29.700 0.021 0.000 0.780 152 E HN 0.722 nan 8.360 nan 0.000 0.523 153 E N -0.933 119.296 120.200 0.048 0.000 2.166 153 E HA -0.059 4.291 4.350 0.000 0.000 0.192 153 E C 1.829 178.499 176.600 0.117 0.000 0.967 153 E CA 0.395 56.841 56.400 0.076 0.000 0.840 153 E CB 0.469 30.207 29.700 0.064 0.000 0.795 153 E HN 0.117 nan 8.360 nan 0.000 0.470 154 V N 1.499 121.459 119.914 0.076 0.000 2.379 154 V HA -0.198 3.922 4.120 0.000 0.000 0.245 154 V C 2.312 178.482 176.094 0.127 0.000 1.044 154 V CA 1.165 63.512 62.300 0.078 0.000 1.036 154 V CB -0.363 31.462 31.823 0.003 0.000 0.664 154 V HN 0.322 nan 8.190 nan 0.000 0.453 155 L N -0.170 121.105 121.223 0.086 0.000 2.265 155 L HA -0.120 4.220 4.340 0.000 0.000 0.215 155 L C 2.581 179.510 176.870 0.098 0.000 1.117 155 L CA 1.507 56.396 54.840 0.082 0.000 0.782 155 L CB -0.518 41.572 42.059 0.050 0.000 0.914 155 L HN 0.259 nan 8.230 nan 0.000 0.441 156 R N -0.645 119.920 120.500 0.108 0.000 2.254 156 R HA -0.067 4.273 4.340 0.000 0.000 0.195 156 R C 2.113 178.482 176.300 0.115 0.000 0.957 156 R CA 0.353 56.507 56.100 0.090 0.000 1.024 156 R CB 0.061 30.403 30.300 0.069 0.000 0.952 156 R HN 0.198 nan 8.270 nan 0.000 0.484 157 F N 0.436 120.402 119.950 0.026 0.000 2.416 157 F HA 0.109 4.636 4.527 0.000 0.000 0.296 157 F C 1.240 177.062 175.800 0.037 0.000 1.099 157 F CA 0.891 58.910 58.000 0.031 0.000 1.427 157 F CB 0.287 39.308 39.000 0.034 0.000 1.079 157 F HN -0.048 nan 8.300 nan 0.000 0.536 158 L N -0.355 121.047 121.223 0.297 0.000 2.446 158 L HA 0.048 4.388 4.340 0.000 0.000 0.219 158 L C 2.234 179.164 176.870 0.101 0.000 1.116 158 L CA 0.085 55.052 54.840 0.213 0.000 0.844 158 L CB -0.440 41.736 42.059 0.195 0.000 0.970 158 L HN -0.088 nan 8.230 nan 0.000 0.457 159 R N 0.524 121.065 120.500 0.068 0.000 2.200 159 R HA -0.054 4.286 4.340 0.000 0.000 0.234 159 R C 0.891 177.194 176.300 0.004 0.000 1.127 159 R CA 0.747 56.867 56.100 0.034 0.000 0.989 159 R CB -0.208 30.106 30.300 0.023 0.000 0.869 159 R HN 0.317 nan 8.270 nan 0.000 0.459 160 R N -1.975 118.507 120.500 -0.030 0.000 2.867 160 R HA 0.410 4.750 4.340 0.000 0.000 0.268 160 R C -0.504 175.752 176.300 -0.073 0.000 1.014 160 R CA 0.291 56.353 56.100 -0.064 0.000 0.946 160 R CB 1.469 31.703 30.300 -0.109 0.000 1.208 160 R HN -0.001 nan 8.270 nan 0.000 0.477 161 A N 0.554 123.339 122.820 -0.057 0.000 2.899 161 A HA -0.255 4.065 4.320 0.000 0.000 0.257 161 A C 1.000 178.603 177.584 0.033 0.000 1.335 161 A CA 1.386 53.407 52.037 -0.026 0.000 0.924 161 A CB -2.250 16.712 19.000 -0.062 0.000 1.105 161 A HN 0.870 nan 8.150 nan 0.000 0.765 162 A N -0.644 122.195 122.820 0.032 0.000 1.975 162 A HA 0.339 4.659 4.320 0.000 0.000 0.215 162 A C 0.090 177.689 177.584 0.025 0.000 1.170 162 A CA 1.485 53.551 52.037 0.049 0.000 0.656 162 A CB -0.821 18.212 19.000 0.055 0.000 0.821 162 A HN 0.541 nan 8.150 nan 0.000 0.449 163 P HA 0.145 nan 4.420 nan 0.000 0.249 163 P C -0.477 176.819 177.300 -0.005 0.000 1.229 163 P CA 0.874 63.974 63.100 -0.000 0.000 0.788 163 P CB 0.243 31.941 31.700 -0.003 0.000 1.072 164 D N -1.063 119.338 120.400 0.001 0.000 2.513 164 D HA 0.294 4.934 4.640 0.000 0.000 0.222 164 D C -0.085 176.217 176.300 0.004 0.000 1.210 164 D CA -0.033 53.965 54.000 -0.003 0.000 0.825 164 D CB 0.337 41.133 40.800 -0.006 0.000 1.037 164 D HN -0.024 nan 8.370 nan 0.000 0.506 165 A N 0.428 123.257 122.820 0.016 0.000 2.343 165 A HA 0.419 4.739 4.320 0.000 0.000 0.316 165 A C 0.976 178.562 177.584 0.004 0.000 1.104 165 A CA -0.487 51.569 52.037 0.031 0.000 0.768 165 A CB 1.507 20.557 19.000 0.083 0.000 1.213 165 A HN -0.036 nan 8.150 nan 0.000 0.456 166 E N 1.546 121.748 120.200 0.003 0.000 2.147 166 E HA -0.138 4.212 4.350 0.000 0.000 0.199 166 E C 0.523 177.088 176.600 -0.058 0.000 1.005 166 E CA 2.470 58.858 56.400 -0.019 0.000 0.810 166 E CB 0.085 29.782 29.700 -0.004 0.000 0.736 166 E HN 0.712 nan 8.360 nan 0.000 0.460 167 T N -1.729 112.801 114.554 -0.041 0.000 3.289 167 T HA 0.313 4.663 4.350 0.000 0.000 0.370 167 T C -0.189 174.496 174.700 -0.024 0.000 1.546 167 T CA -0.263 61.752 62.100 -0.142 0.000 1.144 167 T CB 0.318 69.079 68.868 -0.180 0.000 1.379 167 T HN 0.244 nan 8.240 nan 0.000 0.478 168 I N 1.827 122.356 120.570 -0.068 0.000 3.927 168 I HA 0.370 4.540 4.170 0.000 0.000 0.332 168 I C 0.704 177.004 176.117 0.305 0.000 1.485 168 I CA -0.450 60.926 61.300 0.127 0.000 1.131 168 I CB -0.128 37.959 38.000 0.145 0.000 1.092 168 I HN 0.624 nan 8.210 nan 0.000 0.410 169 Y N 0.200 120.595 120.300 0.159 0.000 2.475 169 Y HA 0.100 4.650 4.550 -0.000 0.000 0.289 169 Y C 0.156 176.177 175.900 0.203 0.000 1.121 169 Y CA -0.095 58.116 58.100 0.185 0.000 1.257 169 Y CB 0.405 39.013 38.460 0.248 0.000 1.026 169 Y HN 0.192 nan 8.280 nan 0.000 0.555 170 Y N 0.712 121.053 120.300 0.068 0.000 2.526 170 Y HA 0.314 4.864 4.550 0.000 0.000 0.328 170 Y C -0.852 174.866 175.900 -0.303 0.000 0.995 170 Y CA -1.843 56.155 58.100 -0.170 0.000 1.304 170 Y CB 0.213 38.530 38.460 -0.238 0.000 1.096 170 Y HN -0.129 nan 8.280 nan 0.000 0.499 171 I N 3.977 124.432 120.570 -0.191 0.000 2.371 171 I HA 0.188 4.358 4.170 0.000 0.000 0.290 171 I C -0.489 175.426 176.117 -0.337 0.000 1.028 171 I CA -0.705 60.501 61.300 -0.158 0.000 1.345 171 I CB -0.079 37.869 38.000 -0.086 0.000 1.407 171 I HN 0.295 nan 8.210 nan 0.000 0.501 172 Y N 4.747 124.973 120.300 -0.124 0.000 2.352 172 Y HA 0.612 5.162 4.550 -0.000 0.000 0.326 172 Y C 0.220 176.022 175.900 -0.164 0.000 1.166 172 Y CA -0.927 57.076 58.100 -0.161 0.000 1.182 172 Y CB 1.024 39.337 38.460 -0.246 0.000 1.216 172 Y HN 0.205 nan 8.280 nan 0.000 0.474 173 V N 3.684 123.595 119.914 -0.005 0.000 2.513 173 V HA 0.708 4.828 4.120 0.000 0.000 0.299 173 V C -0.512 175.562 176.094 -0.033 0.000 1.035 173 V CA -0.876 61.400 62.300 -0.040 0.000 0.889 173 V CB 1.408 33.199 31.823 -0.055 0.000 0.988 173 V HN 0.617 nan 8.190 nan 0.000 0.440 174 V N 0.740 120.631 119.914 -0.040 0.000 2.888 174 V HA 0.749 4.869 4.120 0.000 0.000 0.309 174 V C -0.607 175.474 176.094 -0.022 0.000 1.114 174 V CA -0.978 61.304 62.300 -0.031 0.000 0.940 174 V CB 1.846 33.651 31.823 -0.030 0.000 1.021 174 V HN 0.870 nan 8.190 nan 0.000 0.426 175 D N 1.900 122.291 120.400 -0.016 0.000 2.414 175 D HA 0.186 4.826 4.640 0.000 0.000 0.259 175 D C 1.212 177.511 176.300 -0.001 0.000 1.269 175 D CA 0.225 54.219 54.000 -0.010 0.000 1.028 175 D CB 0.447 41.242 40.800 -0.009 0.000 1.093 175 D HN 0.825 nan 8.370 nan 0.000 0.545 176 E N -0.460 119.742 120.200 0.003 0.000 2.085 176 E HA -0.292 4.058 4.350 0.000 0.000 0.194 176 E C 1.381 177.989 176.600 0.014 0.000 0.994 176 E CA 0.939 57.345 56.400 0.010 0.000 0.801 176 E CB -0.301 29.404 29.700 0.009 0.000 0.743 176 E HN 0.148 nan 8.360 nan 0.000 0.453 177 K N -0.099 120.308 120.400 0.012 0.000 2.555 177 K HA 0.067 4.387 4.320 0.000 0.000 0.193 177 K C 1.106 177.718 176.600 0.020 0.000 1.032 177 K CA 0.846 57.143 56.287 0.016 0.000 1.004 177 K CB 0.020 32.527 32.500 0.012 0.000 0.804 177 K HN 0.468 nan 8.250 nan 0.000 0.496 178 G N 0.606 109.417 108.800 0.019 0.000 2.176 178 G HA2 -0.321 3.639 3.960 0.000 0.000 0.253 178 G HA3 -0.321 3.639 3.960 0.000 0.000 0.253 178 G C -0.127 174.782 174.900 0.016 0.000 0.979 178 G CA 0.056 45.171 45.100 0.026 0.000 0.641 178 G HN 0.302 nan 8.290 nan 0.000 0.530 179 R N -0.163 120.341 120.500 0.007 0.000 2.539 179 R HA 0.556 4.896 4.340 0.000 0.000 0.275 179 R C 0.783 177.071 176.300 -0.020 0.000 1.077 179 R CA -0.544 55.555 56.100 -0.001 0.000 1.097 179 R CB 1.039 31.338 30.300 -0.002 0.000 1.018 179 R HN 0.315 nan 8.270 nan 0.000 0.483 180 L N 1.804 123.009 121.223 -0.030 0.000 2.452 180 L HA 0.127 4.467 4.340 0.000 0.000 0.267 180 L C 0.272 177.108 176.870 -0.057 0.000 1.188 180 L CA 0.424 55.238 54.840 -0.043 0.000 0.821 180 L CB 0.441 42.474 42.059 -0.043 0.000 1.102 180 L HN 0.651 nan 8.230 nan 0.000 0.470 181 K N 2.206 122.577 120.400 -0.048 0.000 3.506 181 K HA 0.389 4.709 4.320 0.000 0.000 0.166 181 K C -0.829 175.743 176.600 -0.047 0.000 1.003 181 K CA 0.282 56.536 56.287 -0.055 0.000 0.832 181 K CB 0.333 32.806 32.500 -0.045 0.000 0.733 181 K HN 0.889 nan 8.250 nan 0.000 0.471 182 G N 0.042 108.816 108.800 -0.043 0.000 2.375 182 G HA2 0.071 4.031 3.960 0.000 0.000 0.663 182 G HA3 0.071 4.031 3.960 0.000 0.000 0.663 182 G C -1.735 173.125 174.900 -0.068 0.000 1.391 182 G CA -0.382 44.689 45.100 -0.048 0.000 0.949 182 G HN 0.147 nan 8.290 nan 0.000 0.646 183 V N 0.351 120.199 119.914 -0.110 0.000 3.602 183 V HA 0.969 5.089 4.120 0.000 0.000 0.285 183 V C -0.470 175.493 176.094 -0.218 0.000 1.187 183 V CA -0.013 62.150 62.300 -0.228 0.000 0.940 183 V CB 1.682 33.358 31.823 -0.245 0.000 1.250 183 V HN 2.222 nan 8.190 nan 0.000 0.455 184 L N 1.464 122.516 121.223 -0.285 0.000 3.390 184 L HA 0.353 4.693 4.340 0.000 0.000 0.223 184 L C -0.538 176.172 176.870 -0.268 0.000 0.985 184 L CA 0.097 54.805 54.840 -0.221 0.000 1.289 184 L CB 0.420 42.378 42.059 -0.168 0.000 1.682 184 L HN 0.559 nan 8.230 nan 0.000 0.675 185 S N 3.089 118.609 115.700 -0.299 0.000 2.537 185 S HA 0.192 4.662 4.470 0.000 0.000 0.286 185 S C 1.190 175.669 174.600 -0.201 0.000 1.299 185 S CA -0.198 57.791 58.200 -0.351 0.000 1.067 185 S CB 1.121 64.125 63.200 -0.328 0.000 0.864 185 S HN 0.684 nan 8.310 nan 0.000 0.494 186 L N 3.922 125.052 121.223 -0.155 0.000 2.191 186 L HA -0.065 4.275 4.340 0.000 0.000 0.212 186 L C 2.495 179.310 176.870 -0.092 0.000 1.103 186 L CA 1.559 56.353 54.840 -0.077 0.000 0.769 186 L CB -0.475 41.575 42.059 -0.014 0.000 0.908 186 L HN 0.744 nan 8.230 nan 0.000 0.438 187 R N -0.644 119.782 120.500 -0.123 0.000 2.249 187 R HA -0.175 4.165 4.340 0.000 0.000 0.230 187 R C 1.092 177.343 176.300 -0.081 0.000 1.121 187 R CA 1.800 57.838 56.100 -0.103 0.000 0.997 187 R CB -0.370 29.866 30.300 -0.107 0.000 0.867 187 R HN 0.502 nan 8.270 nan 0.000 0.465 188 D N 0.384 120.732 120.400 -0.088 0.000 2.259 188 D HA -0.032 4.608 4.640 0.000 0.000 0.216 188 D C 1.961 178.228 176.300 -0.054 0.000 0.961 188 D CA 0.505 54.463 54.000 -0.070 0.000 0.878 188 D CB -0.107 40.644 40.800 -0.082 0.000 1.009 188 D HN 0.231 nan 8.370 nan 0.000 0.490 189 L N 1.084 122.275 121.223 -0.054 0.000 2.450 189 L HA -0.067 4.273 4.340 0.000 0.000 0.224 189 L C 2.207 179.063 176.870 -0.023 0.000 1.149 189 L CA 0.462 55.282 54.840 -0.033 0.000 0.816 189 L CB -0.189 41.855 42.059 -0.024 0.000 0.932 189 L HN 0.010 nan 8.230 nan 0.000 0.449 190 I N -1.233 119.319 120.570 -0.030 0.000 2.703 190 I HA -0.129 4.041 4.170 0.000 0.000 0.259 190 I C 2.178 178.283 176.117 -0.021 0.000 1.151 190 I CA 0.713 61.999 61.300 -0.023 0.000 1.470 190 I CB 0.004 37.985 38.000 -0.032 0.000 1.112 190 I HN 0.131 nan 8.210 nan 0.000 0.437 191 V N -1.190 118.709 119.914 -0.026 0.000 2.949 191 V HA 0.376 4.496 4.120 0.000 0.000 0.245 191 V C 1.405 177.488 176.094 -0.019 0.000 1.086 191 V CA -0.055 62.232 62.300 -0.022 0.000 1.097 191 V CB -1.047 30.761 31.823 -0.025 0.000 0.762 191 V HN 0.144 nan 8.190 nan 0.000 0.470 192 A N 1.288 124.095 122.820 -0.022 0.000 2.492 192 A HA 0.201 4.521 4.320 0.000 0.000 0.236 192 A C 0.022 177.598 177.584 -0.013 0.000 1.078 192 A CA 0.485 52.510 52.037 -0.019 0.000 0.773 192 A CB -0.385 18.600 19.000 -0.024 0.000 1.023 192 A HN 0.591 nan 8.150 nan 0.000 0.504 193 D N 1.048 121.441 120.400 -0.011 0.000 2.351 193 D HA 0.293 4.933 4.640 0.000 0.000 0.251 193 D C -1.167 175.131 176.300 -0.005 0.000 1.137 193 D CA -1.256 52.740 54.000 -0.007 0.000 0.879 193 D CB 0.892 41.688 40.800 -0.006 0.000 1.181 193 D HN 0.250 nan 8.370 nan 0.000 0.448 194 P HA -0.197 nan 4.420 nan 0.000 0.223 194 P C 0.474 177.776 177.300 0.004 0.000 1.140 194 P CA 1.114 64.216 63.100 0.003 0.000 0.783 194 P CB 0.035 31.738 31.700 0.006 0.000 0.759 195 R N -0.950 119.550 120.500 0.001 0.000 2.365 195 R HA 0.136 4.476 4.340 0.000 0.000 0.223 195 R C 0.652 176.951 176.300 -0.002 0.000 0.899 195 R CA -0.047 56.054 56.100 0.001 0.000 1.059 195 R CB -1.000 29.301 30.300 0.001 0.000 1.086 195 R HN 0.026 nan 8.270 nan 0.000 0.522 196 T N 0.348 114.899 114.554 -0.005 0.000 2.940 196 T HA 0.208 4.558 4.350 0.000 0.000 0.309 196 T C 0.245 174.938 174.700 -0.011 0.000 1.056 196 T CA -0.824 61.270 62.100 -0.009 0.000 1.137 196 T CB 1.024 69.884 68.868 -0.013 0.000 0.976 196 T HN 0.064 nan 8.240 nan 0.000 0.547 197 R N 2.234 122.727 120.500 -0.012 0.000 2.822 197 R HA 0.233 4.573 4.340 0.000 0.000 0.277 197 R C 1.570 177.857 176.300 -0.021 0.000 1.102 197 R CA -0.640 55.452 56.100 -0.014 0.000 1.207 197 R CB -0.207 30.085 30.300 -0.013 0.000 1.139 197 R HN 0.572 nan 8.270 nan 0.000 0.557 198 V N 0.619 120.518 119.914 -0.026 0.000 2.446 198 V HA -0.077 4.043 4.120 0.000 0.000 0.244 198 V C 1.829 177.901 176.094 -0.038 0.000 1.039 198 V CA 1.918 64.196 62.300 -0.036 0.000 1.045 198 V CB -0.622 31.174 31.823 -0.044 0.000 0.681 198 V HN 0.841 nan 8.190 nan 0.000 0.459 199 A N -0.439 122.362 122.820 -0.032 0.000 2.236 199 A HA -0.030 4.290 4.320 0.000 0.000 0.214 199 A C 1.781 179.349 177.584 -0.027 0.000 1.287 199 A CA 1.132 53.151 52.037 -0.030 0.000 0.909 199 A CB -0.494 18.491 19.000 -0.025 0.000 0.839 199 A HN 0.642 nan 8.150 nan 0.000 0.486 200 E N -1.123 119.060 120.200 -0.027 0.000 2.606 200 E HA 0.265 4.615 4.350 0.000 0.000 0.224 200 E C 0.742 177.325 176.600 -0.027 0.000 0.930 200 E CA 0.096 56.482 56.400 -0.024 0.000 1.125 200 E CB 0.358 30.047 29.700 -0.019 0.000 1.123 200 E HN 0.590 nan 8.360 nan 0.000 0.522 201 I N 1.157 121.706 120.570 -0.034 0.000 4.240 201 I HA 0.183 4.353 4.170 0.000 0.000 0.331 201 I C 0.932 177.019 176.117 -0.050 0.000 1.381 201 I CA -0.252 61.024 61.300 -0.039 0.000 1.136 201 I CB 0.520 38.496 38.000 -0.040 0.000 1.137 201 I HN 0.171 nan 8.210 nan 0.000 0.411 202 M N 1.333 120.902 119.600 -0.052 0.000 2.036 202 M HA 0.235 4.715 4.480 0.000 0.000 0.276 202 M C -0.622 175.648 176.300 -0.050 0.000 1.262 202 M CA 0.812 56.074 55.300 -0.062 0.000 1.097 202 M CB 0.739 33.303 32.600 -0.060 0.000 1.386 202 M HN -0.011 nan 8.290 nan 0.000 0.482 203 N N 1.747 120.416 118.700 -0.051 0.000 2.491 203 N HA 0.329 5.069 4.740 0.000 0.000 0.274 203 N C -2.231 173.265 175.510 -0.024 0.000 1.023 203 N CA -1.134 51.899 53.050 -0.028 0.000 0.902 203 N CB 2.041 40.519 38.487 -0.014 0.000 1.267 203 N HN 0.482 nan 8.380 nan 0.000 0.503 204 P HA -0.062 nan 4.420 nan 0.000 0.223 204 P C -0.218 177.070 177.300 -0.020 0.000 1.151 204 P CA 0.841 63.926 63.100 -0.025 0.000 0.787 204 P CB 0.547 32.234 31.700 -0.022 0.000 0.788 205 K N 0.953 121.355 120.400 0.004 0.000 2.187 205 K HA 0.296 4.616 4.320 0.000 0.000 0.242 205 K C -0.233 176.402 176.600 0.059 0.000 1.179 205 K CA -0.354 55.949 56.287 0.026 0.000 1.097 205 K CB 0.492 33.018 32.500 0.044 0.000 1.634 205 K HN -0.062 nan 8.250 nan 0.000 0.335 206 V N 2.964 122.889 119.914 0.018 0.000 2.481 206 V HA 0.318 4.438 4.120 0.000 0.000 0.286 206 V C -0.220 175.913 176.094 0.064 0.000 1.042 206 V CA -0.743 61.583 62.300 0.044 0.000 0.928 206 V CB 1.439 33.250 31.823 -0.020 0.000 0.986 206 V HN 0.333 nan 8.190 nan 0.000 0.462 207 V N 6.969 126.996 119.914 0.189 0.000 2.539 207 V HA 0.678 4.798 4.120 0.000 0.000 0.292 207 V C -0.389 175.878 176.094 0.288 0.000 1.045 207 V CA -0.511 61.924 62.300 0.226 0.000 0.945 207 V CB 0.780 32.700 31.823 0.161 0.000 0.993 207 V HN 1.024 nan 8.190 nan 0.000 0.464 208 Y N 2.127 122.424 120.300 -0.004 0.000 2.728 208 Y HA 0.891 5.441 4.550 0.000 0.000 0.330 208 Y C -1.157 174.717 175.900 -0.043 0.000 1.234 208 Y CA -2.653 55.435 58.100 -0.019 0.000 1.070 208 Y CB 1.416 39.866 38.460 -0.017 0.000 1.300 208 Y HN 0.635 nan 8.280 nan 0.000 0.467 209 V N 1.953 121.760 119.914 -0.177 0.000 2.760 209 V HA 0.557 4.677 4.120 0.000 0.000 0.309 209 V C -0.567 175.342 176.094 -0.309 0.000 1.077 209 V CA -0.963 61.162 62.300 -0.291 0.000 0.910 209 V CB 1.887 33.622 31.823 -0.147 0.000 1.008 209 V HN 1.014 nan 8.190 nan 0.000 0.424 210 R N 2.467 122.760 120.500 -0.346 0.000 2.679 210 R HA 0.194 4.534 4.340 0.000 0.000 0.269 210 R C 1.531 177.701 176.300 -0.217 0.000 1.076 210 R CA 0.699 56.639 56.100 -0.265 0.000 1.160 210 R CB 1.301 31.455 30.300 -0.243 0.000 1.054 210 R HN 0.977 nan 8.270 nan 0.000 0.507 211 T N -0.110 114.302 114.554 -0.238 0.000 2.822 211 T HA -0.201 4.149 4.350 0.000 0.000 0.270 211 T C 0.082 174.577 174.700 -0.342 0.000 1.064 211 T CA 1.822 63.709 62.100 -0.354 0.000 1.131 211 T CB -0.321 68.201 68.868 -0.577 0.000 0.858 211 T HN 0.762 nan 8.240 nan 0.000 0.483 212 D N 0.662 120.912 120.400 -0.250 0.000 2.458 212 D HA 0.423 5.063 4.640 0.000 0.000 0.258 212 D C -1.048 175.169 176.300 -0.138 0.000 1.134 212 D CA -0.573 53.317 54.000 -0.182 0.000 0.915 212 D CB 1.025 41.731 40.800 -0.157 0.000 1.028 212 D HN 0.037 nan 8.370 nan 0.000 0.508 213 T N 1.021 115.502 114.554 -0.121 0.000 3.066 213 T HA 0.194 4.544 4.350 0.000 0.000 0.318 213 T C -0.727 173.926 174.700 -0.077 0.000 0.979 213 T CA -0.762 61.276 62.100 -0.103 0.000 1.025 213 T CB 0.977 69.773 68.868 -0.120 0.000 1.002 213 T HN 0.221 nan 8.240 nan 0.000 0.453 214 D N 2.380 122.741 120.400 -0.064 0.000 2.730 214 D HA -0.055 4.585 4.640 0.000 0.000 0.225 214 D C 1.554 177.825 176.300 -0.048 0.000 1.107 214 D CA 0.898 54.868 54.000 -0.050 0.000 0.837 214 D CB 0.786 41.559 40.800 -0.045 0.000 1.171 214 D HN 0.496 nan 8.370 nan 0.000 0.498 215 Q N 2.247 122.023 119.800 -0.041 0.000 2.047 215 Q HA -0.315 4.025 4.340 0.000 0.000 0.211 215 Q C 1.716 177.695 176.000 -0.036 0.000 1.005 215 Q CA 1.972 57.752 55.803 -0.037 0.000 0.866 215 Q CB -0.139 28.579 28.738 -0.033 0.000 0.938 215 Q HN 0.630 nan 8.270 nan 0.000 0.414 216 E N 0.414 120.592 120.200 -0.036 0.000 2.086 216 E HA -0.288 4.062 4.350 0.000 0.000 0.205 216 E C 2.002 178.583 176.600 -0.032 0.000 1.027 216 E CA 1.518 57.898 56.400 -0.034 0.000 0.830 216 E CB -0.104 29.574 29.700 -0.037 0.000 0.751 216 E HN 0.252 nan 8.360 nan 0.000 0.456 217 E N 0.209 120.387 120.200 -0.037 0.000 2.033 217 E HA -0.194 4.156 4.350 0.000 0.000 0.199 217 E C 2.080 178.656 176.600 -0.040 0.000 1.011 217 E CA 1.539 57.916 56.400 -0.040 0.000 0.815 217 E CB -0.164 29.505 29.700 -0.051 0.000 0.755 217 E HN 0.100 nan 8.360 nan 0.000 0.451 218 V N 1.061 120.947 119.914 -0.047 0.000 2.324 218 V HA -0.326 3.794 4.120 0.000 0.000 0.250 218 V C 2.334 178.415 176.094 -0.022 0.000 1.060 218 V CA 1.928 64.201 62.300 -0.044 0.000 1.042 218 V CB -1.332 30.463 31.823 -0.047 0.000 0.650 218 V HN 0.428 nan 8.190 nan 0.000 0.450 219 A N 0.521 123.329 122.820 -0.019 0.000 1.849 219 A HA -0.264 4.056 4.320 0.000 0.000 0.217 219 A C 2.369 179.956 177.584 0.005 0.000 1.202 219 A CA 2.227 54.259 52.037 -0.007 0.000 0.629 219 A CB -0.653 18.338 19.000 -0.015 0.000 0.834 219 A HN 0.441 nan 8.150 nan 0.000 0.447 220 R N -0.590 119.910 120.500 0.000 0.000 2.191 220 R HA -0.252 4.088 4.340 0.000 0.000 0.248 220 R C 2.153 178.475 176.300 0.037 0.000 1.127 220 R CA 1.937 58.046 56.100 0.014 0.000 0.943 220 R CB -1.468 28.837 30.300 0.008 0.000 0.891 220 R HN 0.618 nan 8.270 nan 0.000 0.439 221 L N 0.314 121.547 121.223 0.016 0.000 2.010 221 L HA -0.231 4.109 4.340 0.000 0.000 0.219 221 L C 2.628 179.541 176.870 0.072 0.000 1.077 221 L CA 1.634 56.473 54.840 -0.002 0.000 0.773 221 L CB -0.379 41.625 42.059 -0.090 0.000 0.892 221 L HN 0.239 nan 8.230 nan 0.000 0.436 222 M N -1.260 118.393 119.600 0.088 0.000 2.748 222 M HA -0.089 4.391 4.480 0.000 0.000 0.241 222 M C 1.672 178.030 176.300 0.098 0.000 1.080 222 M CA 0.773 56.156 55.300 0.138 0.000 1.068 222 M CB -0.121 32.554 32.600 0.125 0.000 1.536 222 M HN 0.357 nan 8.290 nan 0.000 0.540 223 A N -0.580 122.285 122.820 0.075 0.000 2.013 223 A HA 0.022 4.342 4.320 0.000 0.000 0.204 223 A C 1.625 179.236 177.584 0.044 0.000 1.262 223 A CA 0.323 52.390 52.037 0.050 0.000 0.800 223 A CB 0.097 19.117 19.000 0.033 0.000 0.909 223 A HN 0.273 nan 8.150 nan 0.000 0.472 224 D N -0.509 119.939 120.400 0.080 0.000 2.113 224 D HA -0.061 4.579 4.640 0.000 0.000 0.206 224 D C 0.875 177.175 176.300 -0.000 0.000 0.979 224 D CA 1.205 55.241 54.000 0.059 0.000 0.862 224 D CB -0.516 40.369 40.800 0.142 0.000 1.013 224 D HN 0.409 nan 8.370 nan 0.000 0.455 225 Y N 1.530 121.708 120.300 -0.202 0.000 2.749 225 Y HA -0.042 4.508 4.550 -0.000 0.000 0.321 225 Y C -0.127 175.474 175.900 -0.498 0.000 1.195 225 Y CA -0.065 57.770 58.100 -0.443 0.000 1.338 225 Y CB -1.197 36.834 38.460 -0.716 0.000 1.017 225 Y HN -0.038 nan 8.280 nan 0.000 0.517 226 D N -0.682 119.667 120.400 -0.085 0.000 2.781 226 D HA -0.245 4.395 4.640 0.000 0.000 0.221 226 D C 0.011 176.371 176.300 0.101 0.000 1.224 226 D CA 0.731 54.728 54.000 -0.005 0.000 0.625 226 D CB -1.082 39.710 40.800 -0.013 0.000 0.987 226 D HN 0.112 nan 8.370 nan 0.000 0.402 227 F N -0.772 119.266 119.950 0.147 0.000 2.317 227 F HA 0.575 5.102 4.527 0.000 0.000 0.266 227 F C 2.117 177.945 175.800 0.046 0.000 0.913 227 F CA -0.328 57.758 58.000 0.143 0.000 1.117 227 F CB 0.017 39.096 39.000 0.132 0.000 1.980 227 F HN -0.037 nan 8.300 nan 0.000 0.600 228 T N -1.343 113.290 114.554 0.132 0.000 3.852 228 T HA 0.238 4.588 4.350 0.000 0.000 0.302 228 T C -1.642 172.891 174.700 -0.279 0.000 0.887 228 T CA 0.148 62.206 62.100 -0.070 0.000 0.826 228 T CB -0.609 68.227 68.868 -0.054 0.000 1.185 228 T HN 0.135 nan 8.240 nan 0.000 0.787 229 V N 2.469 122.122 119.914 -0.436 0.000 2.610 229 V HA 0.515 4.635 4.120 0.000 0.000 0.288 229 V C -0.813 175.152 176.094 -0.216 0.000 1.055 229 V CA -0.874 61.181 62.300 -0.407 0.000 0.902 229 V CB 1.723 33.072 31.823 -0.791 0.000 1.030 229 V HN 0.395 nan 8.190 nan 0.000 0.448 230 L N 7.300 128.479 121.223 -0.072 0.000 2.307 230 L HA 0.691 5.031 4.340 0.000 0.000 0.284 230 L C -2.252 174.601 176.870 -0.028 0.000 1.023 230 L CA -1.933 52.895 54.840 -0.022 0.000 0.810 230 L CB 3.054 45.120 42.059 0.013 0.000 1.231 230 L HN 0.394 nan 8.230 nan 0.000 0.423 231 P HA 0.143 nan 4.420 nan 0.000 0.287 231 P C -0.998 176.252 177.300 -0.083 0.000 1.281 231 P CA -0.264 62.717 63.100 -0.198 0.000 0.781 231 P CB 1.641 33.255 31.700 -0.144 0.000 0.903 232 V N 4.899 124.748 119.914 -0.108 0.000 2.439 232 V HA 0.359 4.479 4.120 0.000 0.000 0.282 232 V C 0.980 177.061 176.094 -0.021 0.000 1.039 232 V CA -0.507 61.761 62.300 -0.053 0.000 0.913 232 V CB 1.488 33.287 31.823 -0.039 0.000 0.983 232 V HN 0.487 nan 8.190 nan 0.000 0.460 233 V N 1.186 121.100 119.914 -0.001 0.000 3.158 233 V HA 0.801 4.921 4.120 0.000 0.000 0.315 233 V C -0.579 175.510 176.094 -0.009 0.000 1.148 233 V CA -0.756 61.569 62.300 0.041 0.000 1.042 233 V CB 2.149 34.072 31.823 0.167 0.000 1.101 233 V HN 0.889 nan 8.190 nan 0.000 0.448 234 D N -0.380 120.029 120.400 0.015 0.000 2.506 234 D HA 0.306 4.946 4.640 0.000 0.000 0.254 234 D C 0.652 176.950 176.300 -0.003 0.000 1.089 234 D CA -0.311 53.681 54.000 -0.013 0.000 1.050 234 D CB 2.142 42.957 40.800 0.026 0.000 1.221 234 D HN 0.587 nan 8.370 nan 0.000 0.589 235 E N -0.262 119.927 120.200 -0.017 0.000 2.200 235 E HA -0.286 4.064 4.350 0.000 0.000 0.211 235 E C 1.518 178.128 176.600 0.017 0.000 1.048 235 E CA 2.335 58.730 56.400 -0.007 0.000 0.851 235 E CB 0.073 29.772 29.700 -0.002 0.000 0.747 235 E HN 0.469 nan 8.360 nan 0.000 0.462 236 E N -2.446 117.770 120.200 0.027 0.000 2.122 236 E HA 0.110 4.460 4.350 0.000 0.000 0.190 236 E C 1.008 177.636 176.600 0.047 0.000 0.977 236 E CA 1.000 57.420 56.400 0.034 0.000 0.820 236 E CB 0.646 30.364 29.700 0.030 0.000 0.770 236 E HN 0.309 nan 8.360 nan 0.000 0.462 237 G N 0.179 109.013 108.800 0.057 0.000 2.276 237 G HA2 -0.160 3.800 3.960 0.000 0.000 0.177 237 G HA3 -0.160 3.800 3.960 0.000 0.000 0.177 237 G C -0.354 174.578 174.900 0.054 0.000 1.017 237 G CA -0.441 44.705 45.100 0.076 0.000 0.750 237 G HN 0.050 nan 8.290 nan 0.000 0.506 238 R N -0.204 120.324 120.500 0.047 0.000 2.539 238 R HA 0.561 4.901 4.340 0.000 0.000 0.275 238 R C -0.147 176.178 176.300 0.042 0.000 1.077 238 R CA -0.683 55.442 56.100 0.042 0.000 1.097 238 R CB 1.278 31.608 30.300 0.051 0.000 1.018 238 R HN 0.157 nan 8.270 nan 0.000 0.483 239 L N 3.338 124.573 121.223 0.021 0.000 2.342 239 L HA 0.122 4.462 4.340 0.000 0.000 0.285 239 L C -0.405 176.533 176.870 0.114 0.000 1.095 239 L CA 0.237 55.067 54.840 -0.018 0.000 0.843 239 L CB 1.142 43.094 42.059 -0.178 0.000 1.201 239 L HN 0.473 nan 8.230 nan 0.000 0.445 240 V N 4.816 124.808 119.914 0.131 0.000 2.759 240 V HA 0.781 4.901 4.120 0.000 0.000 0.342 240 V C 0.533 176.735 176.094 0.181 0.000 1.228 240 V CA 0.130 62.543 62.300 0.189 0.000 1.302 240 V CB -0.558 31.347 31.823 0.137 0.000 1.496 240 V HN 0.978 nan 8.190 nan 0.000 0.628 241 G N 0.541 109.493 108.800 0.253 0.000 2.321 241 G HA2 0.344 4.304 3.960 0.000 0.000 0.339 241 G HA3 0.344 4.304 3.960 0.000 0.000 0.339 241 G C -1.720 173.211 174.900 0.051 0.000 1.518 241 G CA -0.273 44.924 45.100 0.162 0.000 0.994 241 G HN 0.298 nan 8.290 nan 0.000 0.668 242 I N -0.443 120.149 120.570 0.037 0.000 3.042 242 I HA 0.859 5.029 4.170 0.000 0.000 0.310 242 I C -1.115 174.991 176.117 -0.020 0.000 1.117 242 I CA -1.406 59.863 61.300 -0.051 0.000 1.003 242 I CB 2.292 40.275 38.000 -0.028 0.000 1.228 242 I HN 0.518 nan 8.210 nan 0.000 0.443 243 V N 3.655 123.550 119.914 -0.032 0.000 2.577 243 V HA 0.397 4.517 4.120 0.000 0.000 0.303 243 V C -0.066 176.007 176.094 -0.034 0.000 1.042 243 V CA -0.459 61.827 62.300 -0.024 0.000 0.872 243 V CB 1.888 33.697 31.823 -0.023 0.000 0.998 243 V HN 0.867 nan 8.190 nan 0.000 0.423 244 T N 2.792 117.328 114.554 -0.030 0.000 2.874 244 T HA 0.288 4.638 4.350 0.000 0.000 0.281 244 T C 1.072 175.754 174.700 -0.030 0.000 0.994 244 T CA -0.232 61.843 62.100 -0.041 0.000 1.015 244 T CB 2.254 71.103 68.868 -0.032 0.000 1.028 244 T HN 0.354 nan 8.240 nan 0.000 0.523 245 V N 1.232 121.129 119.914 -0.028 0.000 2.346 245 V HA -0.110 4.010 4.120 0.000 0.000 0.244 245 V C 2.148 178.238 176.094 -0.008 0.000 1.037 245 V CA 1.980 64.277 62.300 -0.006 0.000 1.029 245 V CB -0.540 31.290 31.823 0.011 0.000 0.663 245 V HN 1.007 nan 8.190 nan 0.000 0.454 246 D N -1.252 119.142 120.400 -0.009 0.000 2.350 246 D HA -0.199 4.441 4.640 0.000 0.000 0.216 246 D C 1.435 177.716 176.300 -0.031 0.000 0.968 246 D CA 1.036 55.027 54.000 -0.016 0.000 0.894 246 D CB -0.166 40.630 40.800 -0.007 0.000 0.909 246 D HN 0.449 nan 8.370 nan 0.000 0.520 247 D N 0.186 120.571 120.400 -0.025 0.000 2.162 247 D HA -0.073 4.567 4.640 0.000 0.000 0.205 247 D C 1.892 178.174 176.300 -0.031 0.000 0.964 247 D CA 0.326 54.309 54.000 -0.029 0.000 0.847 247 D CB 0.278 41.066 40.800 -0.019 0.000 0.988 247 D HN 0.048 nan 8.370 nan 0.000 0.480 248 V N 0.448 120.348 119.914 -0.023 0.000 3.052 248 V HA 0.100 4.220 4.120 0.000 0.000 0.254 248 V C 2.066 178.146 176.094 -0.024 0.000 1.100 248 V CA 0.377 62.664 62.300 -0.022 0.000 1.112 248 V CB -0.165 31.651 31.823 -0.012 0.000 0.738 248 V HN 0.252 nan 8.190 nan 0.000 0.469 249 L N -0.248 120.961 121.223 -0.023 0.000 2.263 249 L HA -0.192 4.148 4.340 0.000 0.000 0.216 249 L C 1.985 178.833 176.870 -0.038 0.000 1.111 249 L CA 2.066 56.891 54.840 -0.024 0.000 0.773 249 L CB -0.230 41.815 42.059 -0.023 0.000 0.906 249 L HN 0.409 nan 8.230 nan 0.000 0.439 250 D N -1.138 119.234 120.400 -0.047 0.000 2.201 250 D HA -0.076 4.564 4.640 0.000 0.000 0.209 250 D C 2.269 178.538 176.300 -0.051 0.000 0.961 250 D CA 1.056 55.021 54.000 -0.057 0.000 0.861 250 D CB 0.048 40.805 40.800 -0.073 0.000 0.997 250 D HN 0.165 nan 8.370 nan 0.000 0.486 251 V N 1.887 121.775 119.914 -0.043 0.000 2.428 251 V HA -0.270 3.850 4.120 0.000 0.000 0.255 251 V C 2.525 178.593 176.094 -0.043 0.000 1.080 251 V CA 1.265 63.541 62.300 -0.040 0.000 1.083 251 V CB -0.505 31.298 31.823 -0.033 0.000 0.665 251 V HN 0.211 nan 8.190 nan 0.000 0.461 252 L N -0.603 120.596 121.223 -0.040 0.000 1.938 252 L HA -0.169 4.171 4.340 0.000 0.000 0.212 252 L C 2.551 179.389 176.870 -0.052 0.000 1.085 252 L CA 1.929 56.744 54.840 -0.041 0.000 0.760 252 L CB -0.722 41.317 42.059 -0.033 0.000 0.888 252 L HN 0.218 nan 8.230 nan 0.000 0.433 253 E N -0.172 119.996 120.200 -0.054 0.000 2.301 253 E HA -0.268 4.082 4.350 0.000 0.000 0.202 253 E C 1.855 178.405 176.600 -0.082 0.000 1.017 253 E CA 1.407 57.768 56.400 -0.065 0.000 0.831 253 E CB 0.007 29.671 29.700 -0.061 0.000 0.742 253 E HN 0.495 nan 8.360 nan 0.000 0.491 254 A N 0.593 123.368 122.820 -0.076 0.000 1.832 254 A HA -0.123 4.197 4.320 0.000 0.000 0.214 254 A C 1.970 179.499 177.584 -0.092 0.000 1.204 254 A CA 1.163 53.149 52.037 -0.084 0.000 0.606 254 A CB -0.384 18.577 19.000 -0.065 0.000 0.849 254 A HN 0.130 nan 8.150 nan 0.000 0.445 255 E N 0.075 120.232 120.200 -0.072 0.000 2.333 255 E HA -0.079 4.271 4.350 0.000 0.000 0.198 255 E C 2.047 178.602 176.600 -0.076 0.000 1.007 255 E CA 0.919 57.278 56.400 -0.068 0.000 0.845 255 E CB -0.251 29.417 29.700 -0.053 0.000 0.766 255 E HN 0.566 nan 8.360 nan 0.000 0.507 256 A N 0.322 123.093 122.820 -0.081 0.000 1.935 256 A HA -0.045 4.275 4.320 0.000 0.000 0.214 256 A C 2.321 179.840 177.584 -0.108 0.000 1.178 256 A CA 1.240 53.229 52.037 -0.080 0.000 0.640 256 A CB -0.284 18.675 19.000 -0.068 0.000 0.825 256 A HN 0.129 nan 8.150 nan 0.000 0.447 257 T N -0.529 113.934 114.554 -0.152 0.000 3.043 257 T HA -0.040 4.310 4.350 0.000 0.000 0.263 257 T C 1.789 176.291 174.700 -0.330 0.000 1.094 257 T CA 1.034 62.980 62.100 -0.257 0.000 1.127 257 T CB -0.033 68.647 68.868 -0.313 0.000 0.905 257 T HN 0.506 nan 8.240 nan 0.000 0.490 258 E N 1.427 121.504 120.200 -0.205 0.000 2.208 258 E HA -0.136 4.214 4.350 0.000 0.000 0.193 258 E C 1.142 177.700 176.600 -0.071 0.000 0.988 258 E CA 0.932 57.255 56.400 -0.127 0.000 0.828 258 E CB 0.018 29.668 29.700 -0.082 0.000 0.763 258 E HN 0.378 nan 8.360 nan 0.000 0.478 259 D N 0.591 120.942 120.400 -0.081 0.000 2.106 259 D HA -0.053 4.587 4.640 0.000 0.000 0.203 259 D C 2.154 178.422 176.300 -0.054 0.000 0.977 259 D CA 0.815 54.775 54.000 -0.067 0.000 0.844 259 D CB -0.389 40.372 40.800 -0.066 0.000 1.002 259 D HN 0.231 nan 8.370 nan 0.000 0.461 260 I N 0.541 121.079 120.570 -0.053 0.000 2.315 260 I HA -0.305 3.865 4.170 0.000 0.000 0.251 260 I C 2.259 178.397 176.117 0.035 0.000 1.125 260 I CA 1.250 62.536 61.300 -0.024 0.000 1.392 260 I CB -0.351 37.632 38.000 -0.030 0.000 1.065 260 I HN 0.189 nan 8.210 nan 0.000 0.424 261 H N 0.977 119.984 119.070 -0.106 0.000 2.276 261 H HA -0.109 4.447 4.556 0.000 0.000 0.301 261 H C 1.875 177.091 175.328 -0.187 0.000 1.073 261 H CA 0.869 56.841 56.048 -0.127 0.000 1.311 261 H CB 0.062 29.759 29.762 -0.108 0.000 1.379 261 H HN 0.168 nan 8.280 nan 0.000 0.494 262 K N 0.809 121.164 120.400 -0.075 0.000 2.589 262 K HA -0.128 4.192 4.320 0.000 0.000 0.195 262 K C 0.071 176.516 176.600 -0.258 0.000 1.042 262 K CA 0.151 56.295 56.287 -0.239 0.000 0.940 262 K CB 0.017 32.402 32.500 -0.191 0.000 0.776 262 K HN 0.054 nan 8.250 nan 0.000 0.487 263 L N 0.394 121.521 121.223 -0.160 0.000 2.923 263 L HA 0.216 4.556 4.340 0.000 0.000 0.231 263 L C 0.260 177.051 176.870 -0.132 0.000 1.300 263 L CA 0.020 54.785 54.840 -0.125 0.000 1.184 263 L CB 0.693 42.710 42.059 -0.071 0.000 1.511 263 L HN 0.171 nan 8.230 nan 0.000 0.448 264 G N -1.428 107.247 108.800 -0.210 0.000 2.356 264 G HA2 0.397 4.357 3.960 0.000 0.000 0.281 264 G HA3 0.397 4.357 3.960 0.000 0.000 0.281 264 G C -0.027 174.684 174.900 -0.315 0.000 1.246 264 G CA 0.038 45.029 45.100 -0.181 0.000 0.889 264 G HN 0.068 nan 8.290 nan 0.000 0.486 265 A N -0.570 122.110 122.820 -0.233 0.000 1.887 265 A HA 0.457 4.777 4.320 0.000 0.000 0.212 265 A C 1.862 179.144 177.584 -0.502 0.000 1.198 265 A CA 1.726 53.607 52.037 -0.260 0.000 0.628 265 A CB -1.156 17.885 19.000 0.067 0.000 0.847 265 A HN 2.227 nan 8.150 nan 0.000 0.449 266 V N 0.727 120.455 119.914 -0.310 0.000 3.099 266 V HA -0.059 4.061 4.120 0.000 0.000 0.268 266 V C -0.444 175.459 176.094 -0.318 0.000 0.988 266 V CA 1.203 63.327 62.300 -0.293 0.000 1.157 266 V CB -1.459 30.133 31.823 -0.384 0.000 0.771 266 V HN 0.494 nan 8.190 nan 0.000 0.439 267 D N 4.792 125.044 120.400 -0.248 0.000 2.483 267 D HA 0.576 5.216 4.640 0.000 0.000 0.281 267 D C -0.563 175.723 176.300 -0.025 0.000 1.174 267 D CA -0.334 53.557 54.000 -0.181 0.000 0.938 267 D CB 1.040 41.731 40.800 -0.181 0.000 1.002 267 D HN 0.631 nan 8.370 nan 0.000 0.501 268 V N 3.166 123.076 119.914 -0.007 0.000 2.777 268 V HA 0.439 4.559 4.120 0.000 0.000 0.306 268 V C -1.520 174.601 176.094 0.045 0.000 1.112 268 V CA -1.448 60.870 62.300 0.030 0.000 0.917 268 V CB 1.437 33.281 31.823 0.036 0.000 1.018 268 V HN 0.201 nan 8.190 nan 0.000 0.426 269 P HA -0.192 nan 4.420 nan 0.000 0.220 269 P C 0.102 177.418 177.300 0.028 0.000 0.963 269 P CA 0.922 64.035 63.100 0.021 0.000 1.015 269 P CB 0.190 31.898 31.700 0.013 0.000 0.609 270 D N -0.374 120.038 120.400 0.020 0.000 2.343 270 D HA 0.388 5.028 4.640 0.000 0.000 0.255 270 D C -0.404 175.928 176.300 0.054 0.000 1.187 270 D CA 0.376 54.388 54.000 0.019 0.000 0.875 270 D CB -0.161 40.644 40.800 0.008 0.000 1.136 270 D HN 0.051 nan 8.370 nan 0.000 0.469 271 L N 3.473 124.747 121.223 0.085 0.000 2.439 271 L HA 0.493 4.833 4.340 0.000 0.000 0.270 271 L C -0.757 176.220 176.870 0.179 0.000 0.972 271 L CA -0.841 54.094 54.840 0.160 0.000 0.836 271 L CB 1.782 44.011 42.059 0.284 0.000 1.255 271 L HN 0.148 nan 8.230 nan 0.000 0.404 272 V N 1.652 121.655 119.914 0.149 0.000 3.166 272 V HA 0.363 4.483 4.120 0.000 0.000 0.317 272 V C -0.218 176.011 176.094 0.225 0.000 1.136 272 V CA -0.333 62.060 62.300 0.156 0.000 1.035 272 V CB 2.377 34.257 31.823 0.096 0.000 1.110 272 V HN 0.637 nan 8.190 nan 0.000 0.450 273 Y N 1.359 121.698 120.300 0.065 0.000 2.331 273 Y HA -0.016 4.534 4.550 -0.000 0.000 0.282 273 Y C 2.684 178.610 175.900 0.044 0.000 1.140 273 Y CA 1.614 59.746 58.100 0.053 0.000 1.198 273 Y CB -0.438 38.052 38.460 0.050 0.000 1.159 273 Y HN 0.703 nan 8.280 nan 0.000 0.512 274 S N 0.068 115.803 115.700 0.058 0.000 2.428 274 S HA -0.246 4.224 4.470 0.000 0.000 0.240 274 S C 0.518 175.077 174.600 -0.069 0.000 1.036 274 S CA 1.572 59.752 58.200 -0.033 0.000 1.009 274 S CB -0.712 62.519 63.200 0.051 0.000 0.803 274 S HN 0.566 nan 8.310 nan 0.000 0.486 275 E N 1.644 121.825 120.200 -0.032 0.000 2.167 275 E HA 0.649 4.999 4.350 0.000 0.000 0.247 275 E C -0.743 175.832 176.600 -0.041 0.000 0.961 275 E CA -0.054 56.335 56.400 -0.018 0.000 0.797 275 E CB 0.992 30.707 29.700 0.026 0.000 1.182 275 E HN 0.529 nan 8.360 nan 0.000 0.437 276 A N 2.055 124.824 122.820 -0.085 0.000 1.668 276 A HA 0.373 4.693 4.320 0.000 0.000 0.256 276 A C 0.058 177.581 177.584 -0.103 0.000 0.976 276 A CA -0.567 51.425 52.037 -0.075 0.000 0.862 276 A CB -0.061 18.898 19.000 -0.068 0.000 0.979 276 A HN 0.524 nan 8.150 nan 0.000 0.330 277 G N 2.574 111.341 108.800 -0.055 0.000 2.554 277 G HA2 0.441 4.401 3.960 0.000 0.000 0.238 277 G HA3 0.441 4.401 3.960 0.000 0.000 0.238 277 G C -0.930 173.954 174.900 -0.026 0.000 1.259 277 G CA -0.773 44.297 45.100 -0.049 0.000 0.843 277 G HN 0.391 nan 8.290 nan 0.000 0.582 278 P HA -0.180 nan 4.420 nan 0.000 0.218 278 P C 2.008 179.352 177.300 0.073 0.000 1.152 278 P CA 0.844 63.959 63.100 0.025 0.000 0.857 278 P CB 0.119 31.823 31.700 0.006 0.000 0.787 279 V N -0.514 119.414 119.914 0.023 0.000 2.407 279 V HA -0.250 3.870 4.120 0.000 0.000 0.248 279 V C 2.385 178.568 176.094 0.147 0.000 1.055 279 V CA 2.114 64.436 62.300 0.037 0.000 1.049 279 V CB -1.650 30.153 31.823 -0.034 0.000 0.662 279 V HN 0.136 nan 8.190 nan 0.000 0.455 280 A N -0.030 122.848 122.820 0.096 0.000 1.855 280 A HA -0.127 4.193 4.320 0.000 0.000 0.215 280 A C 2.106 179.767 177.584 0.128 0.000 1.191 280 A CA 1.683 53.780 52.037 0.100 0.000 0.613 280 A CB -0.591 18.438 19.000 0.047 0.000 0.829 280 A HN 0.394 nan 8.150 nan 0.000 0.442 281 L N -2.023 119.268 121.223 0.113 0.000 1.971 281 L HA -0.204 4.136 4.340 0.000 0.000 0.215 281 L C 2.224 179.188 176.870 0.155 0.000 1.072 281 L CA 2.190 57.099 54.840 0.115 0.000 0.758 281 L CB -1.200 40.931 42.059 0.120 0.000 0.889 281 L HN 0.719 nan 8.230 nan 0.000 0.433 282 W N 0.905 122.216 121.300 0.017 0.000 2.274 282 W HA -0.387 4.273 4.660 -0.000 0.000 0.333 282 W C 2.550 179.085 176.519 0.026 0.000 1.290 282 W CA 2.957 60.315 57.345 0.021 0.000 1.208 282 W CB -0.690 28.778 29.460 0.014 0.000 1.155 282 W HN 0.260 nan 8.180 nan 0.000 0.462 283 L N 0.433 121.945 121.223 0.481 0.000 2.064 283 L HA -0.204 4.136 4.340 0.000 0.000 0.216 283 L C 2.139 178.990 176.870 -0.032 0.000 1.077 283 L CA 3.123 58.095 54.840 0.221 0.000 0.766 283 L CB -2.159 40.088 42.059 0.313 0.000 0.890 283 L HN 0.116 nan 8.230 nan 0.000 0.435 284 A N -0.216 122.611 122.820 0.011 0.000 1.835 284 A HA -0.018 4.302 4.320 0.000 0.000 0.213 284 A C 2.419 179.985 177.584 -0.030 0.000 1.210 284 A CA 1.063 53.102 52.037 0.002 0.000 0.605 284 A CB -0.522 18.490 19.000 0.020 0.000 0.860 284 A HN 0.398 nan 8.150 nan 0.000 0.447 285 R N -0.645 119.821 120.500 -0.057 0.000 2.134 285 R HA -0.166 4.174 4.340 0.000 0.000 0.248 285 R C 1.930 178.169 176.300 -0.102 0.000 1.143 285 R CA 1.734 57.792 56.100 -0.069 0.000 0.957 285 R CB -1.101 29.160 30.300 -0.064 0.000 0.867 285 R HN 0.375 nan 8.270 nan 0.000 0.441 286 V N 1.010 120.755 119.914 -0.282 0.000 3.141 286 V HA -0.167 3.953 4.120 0.000 0.000 0.265 286 V C 2.383 178.317 176.094 -0.267 0.000 1.126 286 V CA 1.241 63.303 62.300 -0.396 0.000 1.141 286 V CB -0.458 30.801 31.823 -0.941 0.000 0.743 286 V HN 0.234 nan 8.190 nan 0.000 0.492 287 R N -1.495 118.913 120.500 -0.152 0.000 2.066 287 R HA -0.173 4.167 4.340 0.000 0.000 0.232 287 R C 1.971 178.242 176.300 -0.047 0.000 1.131 287 R CA 2.495 58.547 56.100 -0.079 0.000 0.955 287 R CB -0.305 30.009 30.300 0.024 0.000 0.851 287 R HN 0.599 nan 8.270 nan 0.000 0.432 288 W N 0.076 121.302 121.300 -0.123 0.000 2.408 288 W HA -0.063 4.597 4.660 0.000 0.000 0.311 288 W C 1.836 178.298 176.519 -0.096 0.000 1.190 288 W CA 0.361 57.650 57.345 -0.093 0.000 1.321 288 W CB -0.681 28.732 29.460 -0.078 0.000 1.143 288 W HN 0.060 nan 8.180 nan 0.000 0.501 289 L N 0.340 121.624 121.223 0.100 0.000 2.369 289 L HA -0.219 4.121 4.340 0.000 0.000 0.220 289 L C 1.697 178.545 176.870 -0.036 0.000 1.119 289 L CA 1.491 56.343 54.840 0.020 0.000 0.780 289 L CB -1.144 40.898 42.059 -0.028 0.000 0.906 289 L HN -0.066 nan 8.230 nan 0.000 0.442 290 V N -0.556 119.310 119.914 -0.079 0.000 2.341 290 V HA -0.168 3.952 4.120 0.000 0.000 0.240 290 V C 2.378 178.404 176.094 -0.114 0.000 1.035 290 V CA 1.003 63.245 62.300 -0.097 0.000 1.033 290 V CB 0.130 31.883 31.823 -0.116 0.000 0.678 290 V HN 0.228 nan 8.190 nan 0.000 0.464 291 I N -0.209 120.254 120.570 -0.179 0.000 2.315 291 I HA -0.295 3.875 4.170 0.000 0.000 0.251 291 I C 2.346 178.363 176.117 -0.166 0.000 1.125 291 I CA 1.395 62.567 61.300 -0.214 0.000 1.392 291 I CB -0.320 37.462 38.000 -0.364 0.000 1.065 291 I HN 0.308 nan 8.210 nan 0.000 0.424 292 L N 0.371 121.518 121.223 -0.127 0.000 2.093 292 L HA -0.132 4.208 4.340 0.000 0.000 0.208 292 L C 1.838 178.682 176.870 -0.043 0.000 1.085 292 L CA 1.602 56.407 54.840 -0.058 0.000 0.755 292 L CB -0.240 41.829 42.059 0.017 0.000 0.904 292 L HN 0.139 nan 8.230 nan 0.000 0.435 293 I N -0.880 119.664 120.570 -0.044 0.000 3.806 293 I HA -0.013 4.157 4.170 0.000 0.000 0.321 293 I C 1.714 177.806 176.117 -0.042 0.000 1.315 293 I CA 0.622 61.901 61.300 -0.035 0.000 1.148 293 I CB -0.869 37.115 38.000 -0.027 0.000 1.028 293 I HN 0.260 nan 8.210 nan 0.000 0.415 294 L N 0.680 121.869 121.223 -0.056 0.000 2.269 294 L HA -0.069 4.271 4.340 0.000 0.000 0.200 294 L C 2.604 179.444 176.870 -0.049 0.000 1.069 294 L CA 1.058 55.865 54.840 -0.056 0.000 0.804 294 L CB -0.022 41.992 42.059 -0.075 0.000 0.987 294 L HN 0.330 nan 8.230 nan 0.000 0.468 295 T N -3.592 110.929 114.554 -0.054 0.000 2.857 295 T HA -0.057 4.293 4.350 0.000 0.000 0.266 295 T C 1.867 176.545 174.700 -0.036 0.000 1.048 295 T CA 0.832 62.905 62.100 -0.045 0.000 1.139 295 T CB -0.928 67.912 68.868 -0.048 0.000 0.874 295 T HN 0.352 nan 8.240 nan 0.000 0.455 296 G N 1.231 110.012 108.800 -0.032 0.000 2.432 296 G HA2 -0.099 3.861 3.960 0.000 0.000 0.219 296 G HA3 -0.099 3.861 3.960 0.000 0.000 0.219 296 G C 1.664 176.548 174.900 -0.027 0.000 1.135 296 G CA 0.808 45.892 45.100 -0.026 0.000 0.767 296 G HN 0.448 nan 8.290 nan 0.000 0.550 297 M N 0.414 119.998 119.600 -0.028 0.000 2.073 297 M HA -0.152 4.328 4.480 0.000 0.000 0.258 297 M C 2.707 178.992 176.300 -0.026 0.000 1.070 297 M CA 1.463 56.748 55.300 -0.025 0.000 1.103 297 M CB -0.683 31.902 32.600 -0.025 0.000 1.321 297 M HN 0.156 nan 8.290 nan 0.000 0.405 298 V N 0.316 120.212 119.914 -0.029 0.000 2.660 298 V HA -0.275 3.845 4.120 0.000 0.000 0.257 298 V C 2.572 178.643 176.094 -0.037 0.000 1.088 298 V CA 2.154 64.436 62.300 -0.030 0.000 1.106 298 V CB -2.209 29.596 31.823 -0.031 0.000 0.686 298 V HN 0.690 nan 8.190 nan 0.000 0.481 299 T N -1.926 112.605 114.554 -0.038 0.000 2.684 299 T HA -0.276 4.074 4.350 0.000 0.000 0.267 299 T C 2.012 176.683 174.700 -0.048 0.000 1.036 299 T CA 2.158 64.230 62.100 -0.047 0.000 1.148 299 T CB -0.560 68.284 68.868 -0.040 0.000 0.863 299 T HN 0.462 nan 8.240 nan 0.000 0.436 300 S N 0.177 115.856 115.700 -0.036 0.000 2.461 300 S HA 0.007 4.477 4.470 0.000 0.000 0.228 300 S C 2.286 176.872 174.600 -0.023 0.000 1.005 300 S CA 1.215 59.396 58.200 -0.031 0.000 0.942 300 S CB -0.865 62.321 63.200 -0.024 0.000 0.776 300 S HN 0.658 nan 8.310 nan 0.000 0.514 301 S N 0.390 116.078 115.700 -0.020 0.000 2.402 301 S HA -0.004 4.466 4.470 0.000 0.000 0.229 301 S C 1.634 176.233 174.600 -0.001 0.000 1.021 301 S CA 0.927 59.123 58.200 -0.007 0.000 0.974 301 S CB -0.331 62.865 63.200 -0.007 0.000 0.800 301 S HN 0.482 nan 8.310 nan 0.000 0.484 302 I N 1.463 122.016 120.570 -0.030 0.000 2.406 302 I HA 0.097 4.267 4.170 0.000 0.000 0.249 302 I C 1.901 177.971 176.117 -0.079 0.000 1.122 302 I CA 0.473 61.737 61.300 -0.060 0.000 1.431 302 I CB -0.375 37.546 38.000 -0.132 0.000 1.087 302 I HN 0.315 nan 8.210 nan 0.000 0.424 303 L N 0.490 121.671 121.223 -0.069 0.000 2.549 303 L HA -0.192 4.148 4.340 0.000 0.000 0.230 303 L C 2.073 178.959 176.870 0.025 0.000 1.162 303 L CA 1.596 56.408 54.840 -0.047 0.000 0.834 303 L CB -0.933 41.098 42.059 -0.046 0.000 0.947 303 L HN 0.478 nan 8.230 nan 0.000 0.452 304 Q N -1.009 118.817 119.800 0.042 0.000 2.159 304 Q HA -0.025 4.315 4.340 0.000 0.000 0.194 304 Q C 2.040 178.119 176.000 0.132 0.000 0.968 304 Q CA 1.070 56.913 55.803 0.067 0.000 0.837 304 Q CB -0.237 28.525 28.738 0.041 0.000 0.920 304 Q HN 0.370 nan 8.270 nan 0.000 0.485 305 G N 0.379 109.285 108.800 0.177 0.000 2.562 305 G HA2 -0.240 3.720 3.960 0.000 0.000 0.223 305 G HA3 -0.240 3.720 3.960 0.000 0.000 0.223 305 G C 0.322 175.415 174.900 0.322 0.000 1.102 305 G CA 0.692 45.943 45.100 0.252 0.000 0.742 305 G HN 0.353 nan 8.290 nan 0.000 0.587 306 F N 0.741 120.694 119.950 0.005 0.000 2.732 306 F HA 0.319 4.846 4.527 0.000 0.000 0.312 306 F C 1.442 177.246 175.800 0.006 0.000 1.240 306 F CA -1.196 56.809 58.000 0.010 0.000 1.211 306 F CB 0.338 39.350 39.000 0.021 0.000 1.331 306 F HN 0.468 nan 8.300 nan 0.000 0.537 307 E N -1.219 119.061 120.200 0.134 0.000 2.340 307 E HA -0.036 4.314 4.350 0.000 0.000 0.198 307 E C 1.932 178.555 176.600 0.037 0.000 0.961 307 E CA 0.898 57.343 56.400 0.074 0.000 0.905 307 E CB -0.112 29.618 29.700 0.049 0.000 0.884 307 E HN 0.247 nan 8.360 nan 0.000 0.491 308 S N 1.310 117.019 115.700 0.015 0.000 2.353 308 S HA -0.167 4.303 4.470 0.000 0.000 0.222 308 S C 2.119 176.717 174.600 -0.002 0.000 1.035 308 S CA 1.447 59.642 58.200 -0.007 0.000 1.025 308 S CB -0.900 62.280 63.200 -0.034 0.000 0.902 308 S HN 0.179 nan 8.310 nan 0.000 0.440 309 V N 1.735 121.648 119.914 -0.001 0.000 2.871 309 V HA 0.105 4.225 4.120 0.000 0.000 0.256 309 V C 2.366 178.483 176.094 0.039 0.000 1.082 309 V CA 1.064 63.371 62.300 0.013 0.000 1.105 309 V CB -0.915 30.913 31.823 0.009 0.000 0.713 309 V HN 0.422 nan 8.190 nan 0.000 0.473 310 L N 0.237 121.494 121.223 0.057 0.000 2.156 310 L HA -0.112 4.228 4.340 0.000 0.000 0.208 310 L C 2.575 179.453 176.870 0.013 0.000 1.095 310 L CA 1.495 56.367 54.840 0.054 0.000 0.770 310 L CB -0.147 41.955 42.059 0.071 0.000 0.914 310 L HN 0.418 nan 8.230 nan 0.000 0.439 311 E N -0.151 120.053 120.200 0.006 0.000 2.333 311 E HA -0.219 4.131 4.350 0.000 0.000 0.198 311 E C 1.875 178.469 176.600 -0.012 0.000 1.007 311 E CA 0.897 57.291 56.400 -0.009 0.000 0.845 311 E CB 0.148 29.845 29.700 -0.006 0.000 0.766 311 E HN 0.571 nan 8.360 nan 0.000 0.507 312 A N 0.426 123.245 122.820 -0.002 0.000 1.903 312 A HA 0.008 4.328 4.320 0.000 0.000 0.213 312 A C 1.760 179.340 177.584 -0.006 0.000 1.185 312 A CA 0.505 52.541 52.037 -0.001 0.000 0.628 312 A CB -0.031 18.973 19.000 0.006 0.000 0.830 312 A HN 0.147 nan 8.150 nan 0.000 0.446 313 V N 1.926 121.840 119.914 -0.000 0.000 3.070 313 V HA -0.029 4.091 4.120 0.000 0.000 0.359 313 V C 1.557 177.609 176.094 -0.070 0.000 1.438 313 V CA 1.179 63.475 62.300 -0.007 0.000 1.571 313 V CB -1.749 30.095 31.823 0.036 0.000 1.246 313 V HN 0.547 nan 8.190 nan 0.000 0.463 314 T N 1.737 116.248 114.554 -0.071 0.000 2.684 314 T HA -0.072 4.278 4.350 0.000 0.000 0.253 314 T C 2.093 176.686 174.700 -0.179 0.000 1.057 314 T CA 1.471 63.508 62.100 -0.105 0.000 1.162 314 T CB -0.165 68.669 68.868 -0.057 0.000 0.868 314 T HN 0.634 nan 8.240 nan 0.000 0.409 315 A N 0.369 123.120 122.820 -0.115 0.000 2.272 315 A HA 0.258 4.578 4.320 0.000 0.000 0.213 315 A C 1.163 178.568 177.584 -0.298 0.000 1.183 315 A CA 0.796 52.768 52.037 -0.109 0.000 0.719 315 A CB -0.591 18.421 19.000 0.020 0.000 0.771 315 A HN 0.490 nan 8.150 nan 0.000 0.484 316 L N -4.468 116.511 121.223 -0.407 0.000 2.563 316 L HA 0.708 5.048 4.340 0.000 0.000 0.255 316 L C 1.134 177.622 176.870 -0.637 0.000 1.444 316 L CA 0.264 54.806 54.840 -0.497 0.000 1.526 316 L CB 0.912 42.986 42.059 0.026 0.000 1.929 316 L HN 0.737 nan 8.230 nan 0.000 0.563 317 A N -1.001 121.743 122.820 -0.127 0.000 3.526 317 A HA -0.245 4.075 4.320 0.000 0.000 0.254 317 A C 0.883 178.404 177.584 -0.107 0.000 1.109 317 A CA 1.338 53.337 52.037 -0.064 0.000 1.395 317 A CB -2.761 16.150 19.000 -0.148 0.000 1.057 317 A HN 0.730 nan 8.150 nan 0.000 0.901 318 F N -1.331 118.491 119.950 -0.215 0.000 2.641 318 F HA 0.173 4.700 4.527 0.000 0.000 0.298 318 F C 1.183 176.784 175.800 -0.332 0.000 1.146 318 F CA 0.568 58.394 58.000 -0.291 0.000 1.464 318 F CB -1.108 37.674 39.000 -0.363 0.000 1.101 318 F HN 0.446 nan 8.300 nan 0.000 0.585 319 Y N -0.260 120.186 120.300 0.243 0.000 2.928 319 Y HA 0.351 4.901 4.550 -0.000 0.000 0.390 319 Y C 0.908 176.682 175.900 -0.209 0.000 1.101 319 Y CA -0.530 57.636 58.100 0.109 0.000 1.777 319 Y CB 0.086 38.722 38.460 0.294 0.000 1.720 319 Y HN -0.091 nan 8.280 nan 0.000 0.484 320 V N -1.000 118.835 119.914 -0.132 0.000 3.612 320 V HA 0.088 4.208 4.120 0.000 0.000 0.268 320 V C -1.491 174.548 176.094 -0.091 0.000 1.365 320 V CA -0.090 62.056 62.300 -0.256 0.000 1.044 320 V CB -0.044 31.605 31.823 -0.291 0.000 0.820 320 V HN 0.297 nan 8.190 nan 0.000 0.444 321 P HA 0.017 nan 4.420 nan 0.000 0.211 321 P C 1.945 179.265 177.300 0.034 0.000 1.188 321 P CA 1.151 64.254 63.100 0.005 0.000 0.904 321 P CB -0.047 31.663 31.700 0.017 0.000 0.765 322 V N -0.001 119.956 119.914 0.073 0.000 2.324 322 V HA -0.242 3.878 4.120 0.000 0.000 0.250 322 V C 2.509 178.656 176.094 0.090 0.000 1.060 322 V CA 1.767 64.123 62.300 0.092 0.000 1.042 322 V CB -1.473 30.435 31.823 0.142 0.000 0.650 322 V HN 0.019 nan 8.190 nan 0.000 0.450 323 L N -0.970 120.311 121.223 0.097 0.000 2.005 323 L HA -0.084 4.256 4.340 0.000 0.000 0.207 323 L C 2.280 179.190 176.870 0.067 0.000 1.072 323 L CA 1.537 56.437 54.840 0.100 0.000 0.744 323 L CB -0.283 41.853 42.059 0.128 0.000 0.895 323 L HN 0.229 nan 8.230 nan 0.000 0.433 324 L N -0.035 121.199 121.223 0.018 0.000 2.275 324 L HA -0.008 4.332 4.340 0.000 0.000 0.215 324 L C 2.194 179.082 176.870 0.031 0.000 1.119 324 L CA 1.736 56.585 54.840 0.016 0.000 0.790 324 L CB -1.290 40.754 42.059 -0.025 0.000 0.919 324 L HN 0.353 nan 8.230 nan 0.000 0.443 325 G N -2.149 106.671 108.800 0.033 0.000 2.425 325 G HA2 -0.190 3.770 3.960 0.000 0.000 0.213 325 G HA3 -0.190 3.770 3.960 0.000 0.000 0.213 325 G C 1.445 176.372 174.900 0.046 0.000 1.201 325 G CA 0.902 46.023 45.100 0.035 0.000 0.799 325 G HN 0.340 nan 8.290 nan 0.000 0.534 326 T N 1.255 115.843 114.554 0.056 0.000 2.737 326 T HA -0.110 4.240 4.350 0.000 0.000 0.269 326 T C 2.427 177.167 174.700 0.067 0.000 1.040 326 T CA 1.564 63.701 62.100 0.062 0.000 1.142 326 T CB -0.578 68.334 68.868 0.072 0.000 0.861 326 T HN 0.358 nan 8.240 nan 0.000 0.456 327 G N 0.516 109.361 108.800 0.075 0.000 2.448 327 G HA2 0.022 3.982 3.960 0.000 0.000 0.219 327 G HA3 0.022 3.982 3.960 0.000 0.000 0.219 327 G C 1.585 176.527 174.900 0.069 0.000 1.127 327 G CA 0.898 46.050 45.100 0.085 0.000 0.766 327 G HN 0.579 nan 8.290 nan 0.000 0.552 328 G N 0.713 109.545 108.800 0.054 0.000 2.404 328 G HA2 -0.144 3.816 3.960 0.000 0.000 0.213 328 G HA3 -0.144 3.816 3.960 0.000 0.000 0.213 328 G C 1.565 176.490 174.900 0.041 0.000 1.189 328 G CA 0.777 45.903 45.100 0.044 0.000 0.796 328 G HN 0.528 nan 8.290 nan 0.000 0.532 329 N N 0.144 118.867 118.700 0.039 0.000 2.060 329 N HA -0.170 4.570 4.740 0.000 0.000 0.195 329 N C 2.258 177.790 175.510 0.036 0.000 1.028 329 N CA 1.746 54.817 53.050 0.035 0.000 0.861 329 N CB -0.277 38.231 38.487 0.036 0.000 1.029 329 N HN 0.225 nan 8.380 nan 0.000 0.428 330 T N 0.163 114.743 114.554 0.043 0.000 2.595 330 T HA -0.137 4.213 4.350 0.000 0.000 0.264 330 T C 2.042 176.764 174.700 0.037 0.000 1.058 330 T CA 1.483 63.608 62.100 0.041 0.000 1.166 330 T CB -0.984 67.915 68.868 0.051 0.000 0.863 330 T HN 0.471 nan 8.240 nan 0.000 0.415 331 G N 1.662 110.488 108.800 0.043 0.000 2.562 331 G HA2 -0.322 3.638 3.960 0.000 0.000 0.223 331 G HA3 -0.322 3.638 3.960 0.000 0.000 0.223 331 G C 1.579 176.500 174.900 0.036 0.000 1.102 331 G CA 1.275 46.400 45.100 0.041 0.000 0.742 331 G HN 0.396 nan 8.290 nan 0.000 0.587 332 N N 0.322 119.041 118.700 0.032 0.000 2.085 332 N HA -0.040 4.700 4.740 0.000 0.000 0.191 332 N C 2.375 177.899 175.510 0.024 0.000 1.058 332 N CA 1.322 54.388 53.050 0.025 0.000 0.849 332 N CB -0.620 37.880 38.487 0.022 0.000 1.038 332 N HN 0.411 nan 8.380 nan 0.000 0.434 333 Q N 0.234 120.047 119.800 0.023 0.000 2.124 333 Q HA -0.281 4.059 4.340 0.000 0.000 0.215 333 Q C 2.042 178.058 176.000 0.026 0.000 1.015 333 Q CA 2.168 57.984 55.803 0.022 0.000 0.890 333 Q CB -0.503 28.248 28.738 0.022 0.000 0.966 333 Q HN 0.364 nan 8.270 nan 0.000 0.412 334 S N 0.002 115.719 115.700 0.030 0.000 2.398 334 S HA -0.279 4.191 4.470 0.000 0.000 0.220 334 S C 2.029 176.659 174.600 0.051 0.000 1.038 334 S CA 1.729 59.952 58.200 0.039 0.000 1.080 334 S CB -0.543 62.678 63.200 0.034 0.000 1.039 334 S HN 0.500 nan 8.310 nan 0.000 0.419 335 A N 0.595 123.444 122.820 0.047 0.000 1.917 335 A HA -0.107 4.213 4.320 0.000 0.000 0.219 335 A C 2.433 180.031 177.584 0.024 0.000 1.182 335 A CA 2.626 54.690 52.037 0.045 0.000 0.633 335 A CB -1.872 17.150 19.000 0.037 0.000 0.819 335 A HN 0.686 nan 8.150 nan 0.000 0.448 336 T N 0.702 115.265 114.554 0.016 0.000 2.580 336 T HA -0.199 4.151 4.350 0.000 0.000 0.265 336 T C 1.839 176.541 174.700 0.004 0.000 1.063 336 T CA 1.675 63.777 62.100 0.002 0.000 1.170 336 T CB -0.626 68.243 68.868 0.003 0.000 0.863 336 T HN 0.382 nan 8.240 nan 0.000 0.418 337 L N 0.317 121.550 121.223 0.017 0.000 1.978 337 L HA -0.161 4.179 4.340 0.000 0.000 0.218 337 L C 2.680 179.566 176.870 0.028 0.000 1.075 337 L CA 1.296 56.150 54.840 0.023 0.000 0.767 337 L CB -0.693 41.388 42.059 0.036 0.000 0.890 337 L HN 0.261 nan 8.230 nan 0.000 0.434 338 I N -0.094 120.508 120.570 0.054 0.000 2.179 338 I HA -0.283 3.887 4.170 0.000 0.000 0.242 338 I C 2.561 178.643 176.117 -0.058 0.000 1.088 338 I CA 1.750 63.089 61.300 0.066 0.000 1.357 338 I CB -0.633 37.489 38.000 0.203 0.000 1.051 338 I HN 0.232 nan 8.210 nan 0.000 0.409 339 I N 0.993 121.527 120.570 -0.060 0.000 2.118 339 I HA -0.376 3.794 4.170 0.000 0.000 0.241 339 I C 2.836 178.894 176.117 -0.097 0.000 1.070 339 I CA 1.775 63.013 61.300 -0.103 0.000 1.327 339 I CB -0.580 37.380 38.000 -0.067 0.000 1.034 339 I HN 0.304 nan 8.210 nan 0.000 0.405 340 R N 1.999 122.463 120.500 -0.060 0.000 2.091 340 R HA -0.162 4.178 4.340 0.000 0.000 0.238 340 R C 2.309 178.577 176.300 -0.053 0.000 1.136 340 R CA 1.578 57.648 56.100 -0.050 0.000 0.959 340 R CB -0.849 29.433 30.300 -0.031 0.000 0.856 340 R HN 0.292 nan 8.270 nan 0.000 0.437 341 A N 2.676 125.468 122.820 -0.048 0.000 1.849 341 A HA -0.137 4.183 4.320 0.000 0.000 0.217 341 A C 2.469 180.008 177.584 -0.075 0.000 1.202 341 A CA 1.847 53.861 52.037 -0.038 0.000 0.629 341 A CB -0.874 18.123 19.000 -0.005 0.000 0.834 341 A HN 0.355 nan 8.150 nan 0.000 0.447 342 L N -0.977 120.155 121.223 -0.152 0.000 2.151 342 L HA -0.309 4.030 4.340 0.000 0.000 0.215 342 L C 2.906 179.704 176.870 -0.120 0.000 1.084 342 L CA 1.444 56.167 54.840 -0.196 0.000 0.764 342 L CB -0.934 40.931 42.059 -0.323 0.000 0.891 342 L HN 0.498 nan 8.230 nan 0.000 0.435 343 A N -0.335 122.427 122.820 -0.096 0.000 1.874 343 A HA -0.087 4.233 4.320 0.000 0.000 0.214 343 A C 2.092 179.648 177.584 -0.047 0.000 1.189 343 A CA 1.578 53.573 52.037 -0.070 0.000 0.615 343 A CB -0.744 18.217 19.000 -0.065 0.000 0.830 343 A HN 0.353 nan 8.150 nan 0.000 0.443 344 T N -0.131 114.400 114.554 -0.039 0.000 3.427 344 T HA 0.073 4.423 4.350 0.000 0.000 0.256 344 T C 0.949 175.640 174.700 -0.016 0.000 1.172 344 T CA 0.759 62.845 62.100 -0.023 0.000 1.018 344 T CB -0.570 68.288 68.868 -0.017 0.000 0.981 344 T HN 0.571 nan 8.240 nan 0.000 0.555 345 R N 0.817 121.304 120.500 -0.022 0.000 4.023 345 R HA -0.191 4.149 4.340 0.000 0.000 0.368 345 R C -0.489 175.812 176.300 0.002 0.000 1.187 345 R CA 1.169 57.262 56.100 -0.010 0.000 1.089 345 R CB -1.476 28.823 30.300 -0.001 0.000 1.574 345 R HN 0.458 nan 8.270 nan 0.000 0.564 346 D N 0.900 121.301 120.400 0.002 0.000 2.264 346 D HA 0.433 5.073 4.640 0.000 0.000 0.250 346 D C 0.820 177.142 176.300 0.036 0.000 1.113 346 D CA 0.376 54.389 54.000 0.021 0.000 0.871 346 D CB 0.533 41.343 40.800 0.018 0.000 1.167 346 D HN 0.245 nan 8.370 nan 0.000 0.447 347 L N 1.162 122.428 121.223 0.071 0.000 1.485 347 L HA -0.235 4.105 4.340 0.000 0.000 0.352 347 L C -0.104 176.832 176.870 0.111 0.000 1.031 347 L CA 0.759 55.678 54.840 0.131 0.000 1.221 347 L CB -0.873 41.300 42.059 0.189 0.000 0.496 347 L HN 0.652 nan 8.230 nan 0.000 0.226 348 D N -1.630 118.887 120.400 0.196 0.000 3.010 348 D HA 0.180 4.820 4.640 0.000 0.000 0.353 348 D C -0.090 176.351 176.300 0.236 0.000 1.415 348 D CA 0.042 54.119 54.000 0.129 0.000 0.864 348 D CB 0.630 41.493 40.800 0.105 0.000 1.445 348 D HN 0.539 nan 8.370 nan 0.000 0.516 349 L N 1.082 122.377 121.223 0.120 0.000 2.376 349 L HA 0.021 4.361 4.340 0.000 0.000 0.219 349 L C 1.802 178.730 176.870 0.096 0.000 1.133 349 L CA 1.328 56.205 54.840 0.061 0.000 0.816 349 L CB -0.051 41.977 42.059 -0.052 0.000 0.933 349 L HN 0.273 nan 8.230 nan 0.000 0.449 350 R N -2.282 118.360 120.500 0.237 0.000 2.290 350 R HA 0.114 4.454 4.340 0.000 0.000 0.197 350 R C 1.187 177.749 176.300 0.437 0.000 0.913 350 R CA 0.591 56.905 56.100 0.357 0.000 1.040 350 R CB -0.989 29.438 30.300 0.211 0.000 0.992 350 R HN 0.190 nan 8.270 nan 0.000 0.500 351 D N 0.810 121.456 120.400 0.409 0.000 2.395 351 D HA 0.015 4.655 4.640 0.000 0.000 0.226 351 D C 0.346 176.801 176.300 0.258 0.000 1.146 351 D CA 0.007 54.195 54.000 0.313 0.000 0.830 351 D CB 0.155 41.127 40.800 0.285 0.000 0.958 351 D HN 0.407 nan 8.370 nan 0.000 0.501 352 W N 0.797 122.016 121.300 -0.134 0.000 2.453 352 W HA 0.024 4.684 4.660 -0.000 0.000 0.289 352 W C 1.609 177.977 176.519 -0.251 0.000 1.215 352 W CA -0.016 57.021 57.345 -0.514 0.000 1.297 352 W CB -1.162 28.021 29.460 -0.461 0.000 1.113 352 W HN -0.097 nan 8.180 nan 0.000 0.551 353 R N 0.818 121.056 120.500 -0.437 0.000 2.080 353 R HA -0.137 4.203 4.340 0.000 0.000 0.236 353 R C 2.558 178.786 176.300 -0.120 0.000 1.137 353 R CA 2.201 58.078 56.100 -0.371 0.000 0.943 353 R CB -0.855 29.186 30.300 -0.431 0.000 0.846 353 R HN 0.079 nan 8.270 nan 0.000 0.431 354 R N 1.294 121.747 120.500 -0.078 0.000 2.170 354 R HA -0.154 4.186 4.340 0.000 0.000 0.242 354 R C 2.060 178.356 176.300 -0.007 0.000 1.145 354 R CA 1.949 58.033 56.100 -0.027 0.000 0.984 354 R CB -0.158 30.150 30.300 0.013 0.000 0.869 354 R HN 0.335 nan 8.270 nan 0.000 0.455 355 V N -2.731 117.172 119.914 -0.017 0.000 2.426 355 V HA -0.069 4.051 4.120 0.000 0.000 0.242 355 V C 2.149 178.275 176.094 0.052 0.000 1.036 355 V CA 1.155 63.453 62.300 -0.004 0.000 1.044 355 V CB -1.221 30.558 31.823 -0.073 0.000 0.688 355 V HN 0.285 nan 8.190 nan 0.000 0.462 356 F N 1.056 120.905 119.950 -0.169 0.000 2.063 356 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 356 F C 2.189 177.923 175.800 -0.110 0.000 1.105 356 F CA 2.499 60.414 58.000 -0.142 0.000 1.215 356 F CB 0.027 38.926 39.000 -0.168 0.000 0.972 356 F HN 0.156 nan 8.300 nan 0.000 0.483 357 L N 0.264 121.489 121.223 0.003 0.000 1.961 357 L HA -0.268 4.072 4.340 0.000 0.000 0.209 357 L C 2.426 179.271 176.870 -0.042 0.000 1.075 357 L CA 1.733 56.504 54.840 -0.114 0.000 0.749 357 L CB -1.117 40.868 42.059 -0.122 0.000 0.890 357 L HN 0.058 nan 8.230 nan 0.000 0.433 358 K N 0.062 120.452 120.400 -0.017 0.000 2.163 358 K HA -0.301 4.019 4.320 0.000 0.000 0.210 358 K C 2.041 178.637 176.600 -0.005 0.000 1.048 358 K CA 2.064 58.348 56.287 -0.005 0.000 0.928 358 K CB 0.027 32.533 32.500 0.009 0.000 0.716 358 K HN 0.122 nan 8.250 nan 0.000 0.459 359 E N 0.169 120.365 120.200 -0.005 0.000 2.076 359 E HA -0.042 4.308 4.350 0.000 0.000 0.190 359 E C 1.835 178.369 176.600 -0.110 0.000 0.979 359 E CA 1.143 57.519 56.400 -0.041 0.000 0.807 359 E CB -0.008 29.675 29.700 -0.029 0.000 0.761 359 E HN 0.300 nan 8.360 nan 0.000 0.454 360 M N -0.658 118.882 119.600 -0.099 0.000 2.192 360 M HA -0.177 4.303 4.480 0.000 0.000 0.259 360 M C 2.140 178.527 176.300 0.145 0.000 1.071 360 M CA 1.784 57.053 55.300 -0.051 0.000 1.082 360 M CB -0.620 32.038 32.600 0.097 0.000 1.373 360 M HN 0.228 nan 8.290 nan 0.000 0.408 361 G N 0.158 108.992 108.800 0.057 0.000 2.404 361 G HA2 -0.097 3.863 3.960 0.000 0.000 0.214 361 G HA3 -0.097 3.863 3.960 0.000 0.000 0.214 361 G C 1.424 176.359 174.900 0.058 0.000 1.189 361 G CA 0.954 46.093 45.100 0.065 0.000 0.789 361 G HN 0.386 nan 8.290 nan 0.000 0.533 362 V N 1.494 121.418 119.914 0.016 0.000 2.490 362 V HA -0.033 4.087 4.120 0.000 0.000 0.250 362 V C 3.010 179.116 176.094 0.021 0.000 1.061 362 V CA 1.753 64.061 62.300 0.014 0.000 1.064 362 V CB -1.476 30.347 31.823 -0.001 0.000 0.670 362 V HN 0.378 nan 8.190 nan 0.000 0.461 363 G N 0.065 108.846 108.800 -0.032 0.000 2.484 363 G HA2 -0.227 3.733 3.960 0.000 0.000 0.215 363 G HA3 -0.227 3.733 3.960 0.000 0.000 0.215 363 G C 1.604 176.662 174.900 0.263 0.000 1.219 363 G CA 1.019 46.099 45.100 -0.033 0.000 0.791 363 G HN 0.459 nan 8.290 nan 0.000 0.550 364 L N 0.020 121.564 121.223 0.536 0.000 2.362 364 L HA 0.160 4.500 4.340 0.000 0.000 0.219 364 L C 2.736 179.692 176.870 0.143 0.000 1.134 364 L CA 0.157 55.196 54.840 0.330 0.000 0.807 364 L CB -0.057 42.096 42.059 0.155 0.000 0.927 364 L HN 0.230 nan 8.230 nan 0.000 0.447 365 L N -1.067 120.228 121.223 0.120 0.000 2.027 365 L HA -0.240 4.100 4.340 0.000 0.000 0.206 365 L C 2.297 179.205 176.870 0.063 0.000 1.074 365 L CA 1.292 56.172 54.840 0.066 0.000 0.745 365 L CB -0.099 41.990 42.059 0.050 0.000 0.898 365 L HN 0.245 nan 8.230 nan 0.000 0.433 366 L N -1.089 120.178 121.223 0.073 0.000 1.988 366 L HA -0.113 4.227 4.340 0.000 0.000 0.207 366 L C 2.631 179.551 176.870 0.083 0.000 1.071 366 L CA 1.409 56.291 54.840 0.069 0.000 0.744 366 L CB -1.372 40.725 42.059 0.063 0.000 0.893 366 L HN 0.314 nan 8.230 nan 0.000 0.433 367 G N 0.454 109.317 108.800 0.105 0.000 2.596 367 G HA2 -0.298 3.662 3.960 0.000 0.000 0.223 367 G HA3 -0.298 3.662 3.960 0.000 0.000 0.223 367 G C 1.549 176.502 174.900 0.088 0.000 1.120 367 G CA 1.404 46.568 45.100 0.107 0.000 0.752 367 G HN 0.267 nan 8.290 nan 0.000 0.596 368 L N 0.216 121.485 121.223 0.076 0.000 2.023 368 L HA -0.056 4.284 4.340 0.000 0.000 0.205 368 L C 3.236 180.163 176.870 0.095 0.000 1.073 368 L CA 1.720 56.602 54.840 0.071 0.000 0.745 368 L CB -1.363 40.721 42.059 0.043 0.000 0.900 368 L HN 0.227 nan 8.230 nan 0.000 0.435 369 T N 0.791 115.393 114.554 0.081 0.000 2.720 369 T HA -0.173 4.177 4.350 0.000 0.000 0.268 369 T C 2.018 176.801 174.700 0.138 0.000 1.037 369 T CA 1.313 63.469 62.100 0.094 0.000 1.144 369 T CB -0.456 68.450 68.868 0.064 0.000 0.864 369 T HN 0.166 nan 8.240 nan 0.000 0.444 370 L N 0.798 122.087 121.223 0.109 0.000 1.994 370 L HA -0.103 4.237 4.340 0.000 0.000 0.208 370 L C 3.011 179.942 176.870 0.103 0.000 1.071 370 L CA 1.252 56.153 54.840 0.101 0.000 0.745 370 L CB -0.891 41.221 42.059 0.087 0.000 0.892 370 L HN 0.268 nan 8.230 nan 0.000 0.431 371 S N -0.103 115.659 115.700 0.103 0.000 2.372 371 S HA -0.288 4.182 4.470 0.000 0.000 0.227 371 S C 1.987 176.639 174.600 0.087 0.000 1.044 371 S CA 1.816 60.066 58.200 0.085 0.000 1.050 371 S CB -0.457 62.794 63.200 0.084 0.000 0.901 371 S HN 0.396 nan 8.310 nan 0.000 0.447 372 F N 1.657 121.616 119.950 0.016 0.000 2.154 372 F HA -0.075 4.452 4.527 -0.000 0.000 0.301 372 F C 1.868 177.679 175.800 0.019 0.000 1.087 372 F CA 1.496 59.503 58.000 0.012 0.000 1.274 372 F CB -0.338 38.665 39.000 0.005 0.000 1.009 372 F HN 0.213 nan 8.300 nan 0.000 0.485 373 L N -0.844 120.386 121.223 0.012 0.000 2.023 373 L HA -0.169 4.171 4.340 0.000 0.000 0.205 373 L C 2.420 179.233 176.870 -0.095 0.000 1.073 373 L CA 1.045 55.843 54.840 -0.070 0.000 0.745 373 L CB -0.837 41.253 42.059 0.053 0.000 0.900 373 L HN 0.276 nan 8.230 nan 0.000 0.435 374 L N -0.131 121.072 121.223 -0.034 0.000 1.955 374 L HA -0.198 4.142 4.340 0.000 0.000 0.213 374 L C 2.346 179.169 176.870 -0.078 0.000 1.072 374 L CA 1.887 56.710 54.840 -0.028 0.000 0.755 374 L CB -0.560 41.501 42.059 0.004 0.000 0.888 374 L HN -0.062 nan 8.230 nan 0.000 0.432 375 V N 0.534 120.395 119.914 -0.089 0.000 2.688 375 V HA -0.199 3.921 4.120 0.000 0.000 0.256 375 V C 2.588 178.623 176.094 -0.098 0.000 1.084 375 V CA 1.513 63.759 62.300 -0.090 0.000 1.103 375 V CB -1.730 30.058 31.823 -0.058 0.000 0.688 375 V HN 0.699 nan 8.190 nan 0.000 0.480 376 G N -0.667 107.998 108.800 -0.225 0.000 2.432 376 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 376 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 376 G C 1.679 176.567 174.900 -0.020 0.000 1.135 376 G CA 0.814 45.752 45.100 -0.270 0.000 0.767 376 G HN 0.489 nan 8.290 nan 0.000 0.550 377 K N -0.398 119.994 120.400 -0.013 0.000 2.308 377 K HA 0.185 4.505 4.320 0.000 0.000 0.197 377 K C 2.262 178.902 176.600 0.067 0.000 1.049 377 K CA -0.042 56.291 56.287 0.077 0.000 0.991 377 K CB 0.324 32.864 32.500 0.066 0.000 0.836 377 K HN 0.132 nan 8.250 nan 0.000 0.500 378 V N 1.729 121.638 119.914 -0.008 0.000 3.140 378 V HA -0.228 3.892 4.120 0.000 0.000 0.269 378 V C 1.641 177.771 176.094 0.061 0.000 1.149 378 V CA 1.462 63.703 62.300 -0.098 0.000 1.162 378 V CB -0.804 30.832 31.823 -0.311 0.000 0.756 378 V HN 0.380 nan 8.190 nan 0.000 0.523 379 Y N -1.432 118.886 120.300 0.031 0.000 2.333 379 Y HA 0.038 4.588 4.550 -0.000 0.000 0.287 379 Y C 1.958 177.931 175.900 0.122 0.000 1.149 379 Y CA 0.232 58.374 58.100 0.071 0.000 1.193 379 Y CB -0.588 37.910 38.460 0.063 0.000 1.175 379 Y HN 0.190 nan 8.280 nan 0.000 0.518 380 W N 2.891 123.755 121.300 -0.726 0.000 2.424 380 W HA -0.120 4.540 4.660 0.000 0.000 0.264 380 W C 1.884 178.140 176.519 -0.439 0.000 1.229 380 W CA 1.815 58.686 57.345 -0.789 0.000 1.208 380 W CB -0.281 28.985 29.460 -0.323 0.000 1.127 380 W HN 0.281 nan 8.180 nan 0.000 0.588 381 D N -1.135 119.148 120.400 -0.196 0.000 2.117 381 D HA -0.067 4.573 4.640 0.000 0.000 0.198 381 D C 1.851 177.922 176.300 -0.382 0.000 0.982 381 D CA 2.183 56.056 54.000 -0.211 0.000 0.828 381 D CB -0.063 40.722 40.800 -0.025 0.000 0.967 381 D HN 0.212 nan 8.370 nan 0.000 0.464 382 G N -0.799 107.772 108.800 -0.382 0.000 2.456 382 G HA2 -0.109 3.851 3.960 0.000 0.000 0.208 382 G HA3 -0.109 3.851 3.960 0.000 0.000 0.208 382 G C -0.100 174.571 174.900 -0.382 0.000 1.004 382 G CA -0.444 44.397 45.100 -0.431 0.000 0.791 382 G HN 0.284 nan 8.290 nan 0.000 0.537 383 H N 0.641 119.720 119.070 0.014 0.000 2.471 383 H HA 0.257 4.813 4.556 -0.000 0.000 0.234 383 H C -1.689 173.717 175.328 0.130 0.000 1.388 383 H CA -0.900 55.214 56.048 0.109 0.000 1.198 383 H CB 1.388 31.288 29.762 0.229 0.000 1.714 383 H HN 0.230 nan 8.280 nan 0.000 0.536 384 P HA -0.143 nan 4.420 nan 0.000 0.221 384 P C 0.711 178.119 177.300 0.180 0.000 1.145 384 P CA 0.356 63.611 63.100 0.259 0.000 0.795 384 P CB 0.581 32.467 31.700 0.310 0.000 0.775 385 L N -0.458 120.868 121.223 0.172 0.000 2.435 385 L HA -0.053 4.287 4.340 0.000 0.000 0.258 385 L C 1.350 178.283 176.870 0.105 0.000 1.257 385 L CA -0.004 54.910 54.840 0.124 0.000 0.823 385 L CB -1.375 40.759 42.059 0.124 0.000 1.111 385 L HN -0.179 nan 8.230 nan 0.000 0.543 386 L N 1.178 122.443 121.223 0.070 0.000 4.812 386 L HA -0.242 4.098 4.340 0.000 0.000 0.466 386 L C 0.895 177.789 176.870 0.041 0.000 1.205 386 L CA 0.125 54.991 54.840 0.044 0.000 0.681 386 L CB -0.596 41.482 42.059 0.032 0.000 1.179 386 L HN 0.399 nan 8.230 nan 0.000 0.647 387 L N 4.516 125.759 121.223 0.034 0.000 2.607 387 L HA 0.131 4.471 4.340 0.000 0.000 0.228 387 L C -0.438 176.422 176.870 -0.017 0.000 1.123 387 L CA 0.566 55.415 54.840 0.015 0.000 0.890 387 L CB -0.500 41.584 42.059 0.041 0.000 1.103 387 L HN 0.316 nan 8.230 nan 0.000 0.468 388 P HA -0.053 nan 4.420 nan 0.000 0.220 388 P C 1.728 178.991 177.300 -0.060 0.000 1.154 388 P CA 1.276 64.358 63.100 -0.031 0.000 0.830 388 P CB 0.084 31.771 31.700 -0.022 0.000 0.803 389 V N -0.990 118.869 119.914 -0.092 0.000 2.370 389 V HA -0.234 3.886 4.120 0.000 0.000 0.252 389 V C 2.406 178.365 176.094 -0.224 0.000 1.068 389 V CA 2.187 64.372 62.300 -0.191 0.000 1.061 389 V CB -2.194 29.482 31.823 -0.246 0.000 0.656 389 V HN -0.078 nan 8.190 nan 0.000 0.455 390 V N 1.858 121.693 119.914 -0.131 0.000 2.229 390 V HA 0.013 4.133 4.120 0.000 0.000 0.243 390 V C 2.973 179.057 176.094 -0.017 0.000 1.042 390 V CA 2.240 64.502 62.300 -0.063 0.000 1.000 390 V CB -1.834 29.911 31.823 -0.130 0.000 0.637 390 V HN 0.581 nan 8.190 nan 0.000 0.446 391 G N 0.219 109.004 108.800 -0.025 0.000 2.480 391 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 391 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 391 G C 1.695 176.602 174.900 0.012 0.000 1.200 391 G CA 1.370 46.470 45.100 0.001 0.000 0.782 391 G HN 0.328 nan 8.290 nan 0.000 0.554 392 V N 1.919 121.830 119.914 -0.006 0.000 2.380 392 V HA -0.249 3.871 4.120 0.000 0.000 0.251 392 V C 3.253 179.361 176.094 0.024 0.000 1.063 392 V CA 2.561 64.860 62.300 -0.002 0.000 1.055 392 V CB -0.679 31.133 31.823 -0.017 0.000 0.657 392 V HN 0.642 nan 8.190 nan 0.000 0.455 393 S N 0.520 116.235 115.700 0.025 0.000 2.341 393 S HA -0.119 4.351 4.470 0.000 0.000 0.216 393 S C 1.950 176.631 174.600 0.135 0.000 1.034 393 S CA 1.116 59.366 58.200 0.084 0.000 0.964 393 S CB -0.761 62.480 63.200 0.067 0.000 0.882 393 S HN 0.383 nan 8.310 nan 0.000 0.469 394 L N 2.707 124.010 121.223 0.133 0.000 2.011 394 L HA -0.150 4.190 4.340 0.000 0.000 0.225 394 L C 2.315 179.261 176.870 0.127 0.000 1.084 394 L CA 2.156 57.078 54.840 0.135 0.000 0.791 394 L CB -1.219 40.904 42.059 0.105 0.000 0.898 394 L HN 0.283 nan 8.230 nan 0.000 0.440 395 V N -0.442 119.532 119.914 0.099 0.000 2.270 395 V HA -0.269 3.851 4.120 0.000 0.000 0.245 395 V C 2.607 178.762 176.094 0.102 0.000 1.043 395 V CA 1.848 64.203 62.300 0.092 0.000 1.014 395 V CB -0.836 31.018 31.823 0.052 0.000 0.645 395 V HN 0.601 nan 8.190 nan 0.000 0.447 396 L N -0.876 120.395 121.223 0.080 0.000 2.351 396 L HA -0.181 4.159 4.340 0.000 0.000 0.220 396 L C 2.035 179.054 176.870 0.248 0.000 1.127 396 L CA 1.462 56.354 54.840 0.085 0.000 0.786 396 L CB -0.086 42.038 42.059 0.109 0.000 0.914 396 L HN 0.319 nan 8.230 nan 0.000 0.443 397 I N -2.395 118.325 120.570 0.250 0.000 2.726 397 I HA -0.154 4.016 4.170 0.000 0.000 0.243 397 I C 2.314 178.593 176.117 0.271 0.000 1.082 397 I CA 0.426 61.907 61.300 0.300 0.000 1.447 397 I CB -0.195 37.940 38.000 0.226 0.000 1.250 397 I HN -0.117 nan 8.210 nan 0.000 0.453 398 V N 1.606 121.641 119.914 0.201 0.000 2.280 398 V HA -0.386 3.734 4.120 0.000 0.000 0.258 398 V C 2.279 178.478 176.094 0.174 0.000 1.081 398 V CA 2.520 64.917 62.300 0.161 0.000 1.070 398 V CB -0.914 30.990 31.823 0.136 0.000 0.666 398 V HN 0.380 nan 8.190 nan 0.000 0.450 399 F N -0.075 119.903 119.950 0.047 0.000 2.014 399 F HA -0.184 4.343 4.527 0.000 0.000 0.295 399 F C 2.158 177.993 175.800 0.057 0.000 1.145 399 F CA 1.925 59.922 58.000 -0.006 0.000 1.178 399 F CB -0.522 38.403 39.000 -0.125 0.000 0.972 399 F HN 0.080 nan 8.300 nan 0.000 0.476 400 F N 0.051 120.224 119.950 0.372 0.000 2.287 400 F HA -0.278 4.249 4.527 -0.000 0.000 0.301 400 F C 2.288 178.142 175.800 0.090 0.000 1.069 400 F CA 0.581 58.722 58.000 0.235 0.000 1.372 400 F CB -0.407 38.723 39.000 0.216 0.000 1.056 400 F HN 0.169 nan 8.300 nan 0.000 0.523 401 A N -0.060 122.915 122.820 0.258 0.000 1.850 401 A HA -0.168 4.152 4.320 0.000 0.000 0.212 401 A C 1.790 179.418 177.584 0.072 0.000 1.208 401 A CA 1.447 53.570 52.037 0.144 0.000 0.609 401 A CB -1.025 18.047 19.000 0.120 0.000 0.860 401 A HN 0.371 nan 8.150 nan 0.000 0.448 402 N N -0.435 118.279 118.700 0.024 0.000 2.192 402 N HA -0.122 4.618 4.740 0.000 0.000 0.188 402 N C 1.315 176.795 175.510 -0.049 0.000 1.013 402 N CA 1.056 54.091 53.050 -0.025 0.000 0.863 402 N CB -0.107 38.337 38.487 -0.072 0.000 0.990 402 N HN 0.298 nan 8.380 nan 0.000 0.430 403 L N 0.096 121.271 121.223 -0.080 0.000 2.599 403 L HA 0.039 4.379 4.340 0.000 0.000 0.230 403 L C 1.382 178.256 176.870 0.007 0.000 1.141 403 L CA 0.537 55.344 54.840 -0.055 0.000 0.877 403 L CB -0.336 41.686 42.059 -0.061 0.000 1.009 403 L HN 0.191 nan 8.230 nan 0.000 0.447 404 V N -0.692 119.248 119.914 0.042 0.000 2.403 404 V HA 0.063 4.183 4.120 0.000 0.000 0.239 404 V C 2.535 178.652 176.094 0.039 0.000 1.041 404 V CA 1.398 63.723 62.300 0.042 0.000 1.051 404 V CB -0.943 30.914 31.823 0.057 0.000 0.704 404 V HN 0.428 nan 8.190 nan 0.000 0.472 405 G N -0.173 108.655 108.800 0.045 0.000 2.479 405 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 405 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 405 G C 1.586 176.532 174.900 0.076 0.000 1.115 405 G CA 1.146 46.278 45.100 0.054 0.000 0.757 405 G HN 0.590 nan 8.290 nan 0.000 0.560 406 A N -0.249 122.611 122.820 0.067 0.000 1.975 406 A HA 0.324 4.644 4.320 0.000 0.000 0.215 406 A C 2.135 179.807 177.584 0.146 0.000 1.170 406 A CA 1.038 53.136 52.037 0.102 0.000 0.656 406 A CB -0.082 18.943 19.000 0.041 0.000 0.821 406 A HN 0.307 nan 8.150 nan 0.000 0.449 407 M N -0.671 118.959 119.600 0.049 0.000 2.371 407 M HA 0.202 4.682 4.480 0.000 0.000 0.246 407 M C 1.453 177.827 176.300 0.122 0.000 1.103 407 M CA 0.310 55.619 55.300 0.015 0.000 1.010 407 M CB 0.167 32.654 32.600 -0.188 0.000 1.457 407 M HN 0.419 nan 8.290 nan 0.000 0.486 408 L N 1.427 122.725 121.223 0.124 0.000 2.049 408 L HA 0.096 4.436 4.340 0.000 0.000 0.203 408 L C -0.925 176.009 176.870 0.106 0.000 1.074 408 L CA 1.930 56.825 54.840 0.092 0.000 0.749 408 L CB -1.809 40.286 42.059 0.060 0.000 0.907 408 L HN 0.014 nan 8.230 nan 0.000 0.439 409 P HA -0.218 nan 4.420 nan 0.000 0.216 409 P C 1.570 178.831 177.300 -0.066 0.000 1.157 409 P CA 1.850 64.940 63.100 -0.017 0.000 0.880 409 P CB -0.170 31.477 31.700 -0.090 0.000 0.791 410 F N -1.324 118.597 119.950 -0.047 0.000 2.102 410 F HA -0.149 4.378 4.527 0.000 0.000 0.298 410 F C 2.288 178.006 175.800 -0.137 0.000 1.105 410 F CA 0.954 58.897 58.000 -0.095 0.000 1.239 410 F CB -1.685 37.265 39.000 -0.085 0.000 0.991 410 F HN -0.159 nan 8.300 nan 0.000 0.474 411 L N 0.322 121.603 121.223 0.098 0.000 2.034 411 L HA -0.261 4.079 4.340 0.000 0.000 0.217 411 L C 2.083 178.935 176.870 -0.031 0.000 1.077 411 L CA 1.813 56.652 54.840 -0.002 0.000 0.769 411 L CB -0.981 41.088 42.059 0.016 0.000 0.890 411 L HN 0.180 nan 8.230 nan 0.000 0.435 412 L N -1.252 119.959 121.223 -0.021 0.000 2.056 412 L HA -0.197 4.143 4.340 0.000 0.000 0.207 412 L C 2.771 179.607 176.870 -0.057 0.000 1.078 412 L CA 1.423 56.243 54.840 -0.032 0.000 0.749 412 L CB -0.455 41.591 42.059 -0.021 0.000 0.901 412 L HN 0.269 nan 8.230 nan 0.000 0.433 413 R N 0.284 120.734 120.500 -0.082 0.000 2.127 413 R HA -0.153 4.187 4.340 0.000 0.000 0.238 413 R C 2.370 178.612 176.300 -0.097 0.000 1.134 413 R CA 1.222 57.263 56.100 -0.099 0.000 0.975 413 R CB -0.021 30.192 30.300 -0.144 0.000 0.865 413 R HN 0.335 nan 8.270 nan 0.000 0.447 414 R N -0.437 119.994 120.500 -0.115 0.000 2.189 414 R HA -0.054 4.286 4.340 0.000 0.000 0.223 414 R C 1.351 177.595 176.300 -0.092 0.000 1.092 414 R CA 0.536 56.552 56.100 -0.140 0.000 0.989 414 R CB 0.023 30.200 30.300 -0.205 0.000 0.876 414 R HN 0.182 nan 8.270 nan 0.000 0.457 415 L N -0.004 121.177 121.223 -0.070 0.000 2.808 415 L HA 0.254 4.594 4.340 0.000 0.000 0.246 415 L C 0.034 176.880 176.870 -0.040 0.000 1.153 415 L CA 0.424 55.234 54.840 -0.049 0.000 0.956 415 L CB 0.208 42.244 42.059 -0.039 0.000 1.270 415 L HN 0.392 nan 8.230 nan 0.000 0.528 416 G N 1.365 110.137 108.800 -0.047 0.000 2.502 416 G HA2 -0.164 3.796 3.960 0.000 0.000 0.273 416 G HA3 -0.164 3.796 3.960 0.000 0.000 0.273 416 G C -0.629 174.253 174.900 -0.031 0.000 1.021 416 G CA 0.303 45.379 45.100 -0.040 0.000 1.333 416 G HN 0.153 nan 8.290 nan 0.000 0.508 417 V N 1.727 121.620 119.914 -0.035 0.000 2.789 417 V HA 0.262 4.382 4.120 0.000 0.000 0.300 417 V C 0.068 176.144 176.094 -0.031 0.000 1.184 417 V CA -0.875 61.412 62.300 -0.021 0.000 0.930 417 V CB 2.067 33.887 31.823 -0.005 0.000 1.041 417 V HN 0.711 nan 8.190 nan 0.000 0.430 418 D N 7.496 127.881 120.400 -0.026 0.000 2.479 418 D HA 0.061 4.701 4.640 0.000 0.000 0.257 418 D C -0.863 175.412 176.300 -0.041 0.000 1.230 418 D CA -0.534 53.442 54.000 -0.040 0.000 0.912 418 D CB 1.238 42.017 40.800 -0.036 0.000 1.130 418 D HN 0.337 nan 8.370 nan 0.000 0.515 419 P HA -0.281 nan 4.420 nan 0.000 0.217 419 P C 1.021 178.288 177.300 -0.055 0.000 1.148 419 P CA 1.064 64.121 63.100 -0.072 0.000 0.828 419 P CB 0.091 31.714 31.700 -0.128 0.000 0.783 420 A N -0.238 122.544 122.820 -0.064 0.000 2.084 420 A HA -0.184 4.136 4.320 0.000 0.000 0.221 420 A C 2.175 179.710 177.584 -0.081 0.000 1.161 420 A CA 1.258 53.252 52.037 -0.071 0.000 0.653 420 A CB -1.584 17.369 19.000 -0.077 0.000 0.802 420 A HN 0.154 nan 8.150 nan 0.000 0.457 421 L N -0.244 120.948 121.223 -0.050 0.000 2.127 421 L HA -0.077 4.263 4.340 0.000 0.000 0.211 421 L C 1.086 177.983 176.870 0.045 0.000 1.089 421 L CA 1.260 56.090 54.840 -0.017 0.000 0.757 421 L CB -0.372 41.749 42.059 0.104 0.000 0.899 421 L HN 0.141 nan 8.230 nan 0.000 0.434 422 V N 1.284 121.223 119.914 0.042 0.000 2.180 422 V HA 0.050 4.170 4.120 0.000 0.000 0.238 422 V C 1.189 177.296 176.094 0.021 0.000 1.337 422 V CA 0.243 62.581 62.300 0.063 0.000 1.338 422 V CB -1.531 30.317 31.823 0.040 0.000 1.431 422 V HN 0.524 nan 8.190 nan 0.000 0.498 423 S N 3.768 119.477 115.700 0.014 0.000 2.700 423 S HA 0.076 4.546 4.470 0.000 0.000 0.250 423 S C 1.151 175.755 174.600 0.006 0.000 1.355 423 S CA 0.215 58.395 58.200 -0.034 0.000 0.970 423 S CB 0.367 63.528 63.200 -0.064 0.000 0.975 423 S HN 0.629 nan 8.310 nan 0.000 0.563 424 N N 1.230 119.929 118.700 -0.002 0.000 2.436 424 N HA 0.120 4.860 4.740 0.000 0.000 0.178 424 N C -1.218 174.308 175.510 0.028 0.000 1.026 424 N CA 0.562 53.619 53.050 0.011 0.000 0.880 424 N CB -1.649 36.837 38.487 -0.001 0.000 1.061 424 N HN 0.408 nan 8.380 nan 0.000 0.434 425 P HA -0.034 nan 4.420 nan 0.000 0.221 425 P C 1.670 179.016 177.300 0.076 0.000 1.150 425 P CA 0.442 63.572 63.100 0.050 0.000 0.800 425 P CB 0.106 31.838 31.700 0.053 0.000 0.787 426 L N -0.984 120.307 121.223 0.113 0.000 2.265 426 L HA -0.102 4.238 4.340 0.000 0.000 0.215 426 L C 1.849 178.762 176.870 0.071 0.000 1.117 426 L CA 1.743 56.658 54.840 0.125 0.000 0.782 426 L CB -0.903 41.270 42.059 0.191 0.000 0.914 426 L HN -0.167 nan 8.230 nan 0.000 0.441 427 V N -0.343 119.606 119.914 0.058 0.000 2.283 427 V HA -0.048 4.072 4.120 0.000 0.000 0.239 427 V C 2.480 178.595 176.094 0.036 0.000 1.035 427 V CA 1.207 63.533 62.300 0.044 0.000 1.018 427 V CB -1.021 30.826 31.823 0.040 0.000 0.658 427 V HN 0.480 nan 8.190 nan 0.000 0.459 428 A N -0.830 122.010 122.820 0.034 0.000 2.309 428 A HA -0.176 4.144 4.320 0.000 0.000 0.210 428 A C 2.060 179.658 177.584 0.022 0.000 1.216 428 A CA 2.129 54.182 52.037 0.027 0.000 0.731 428 A CB -0.644 18.371 19.000 0.024 0.000 0.762 428 A HN 0.571 nan 8.150 nan 0.000 0.497 429 T N -1.176 113.391 114.554 0.023 0.000 3.205 429 T HA 0.174 4.524 4.350 0.000 0.000 0.238 429 T C 1.590 176.294 174.700 0.006 0.000 0.974 429 T CA 0.440 62.548 62.100 0.013 0.000 1.246 429 T CB -0.200 68.677 68.868 0.015 0.000 1.007 429 T HN 0.295 nan 8.240 nan 0.000 0.414 430 L N 1.414 122.644 121.223 0.011 0.000 2.353 430 L HA 0.026 4.366 4.340 0.000 0.000 0.220 430 L C 2.308 179.183 176.870 0.009 0.000 1.133 430 L CA 0.741 55.584 54.840 0.005 0.000 0.798 430 L CB -0.305 41.760 42.059 0.010 0.000 0.922 430 L HN 0.243 nan 8.230 nan 0.000 0.445 431 S N -1.004 114.708 115.700 0.020 0.000 2.593 431 S HA -0.056 4.414 4.470 0.000 0.000 0.217 431 S C 1.060 175.674 174.600 0.023 0.000 0.966 431 S CA 0.429 58.648 58.200 0.030 0.000 0.914 431 S CB -0.001 63.223 63.200 0.040 0.000 0.776 431 S HN 0.405 nan 8.310 nan 0.000 0.523 432 D N -0.424 119.980 120.400 0.006 0.000 2.394 432 D HA 0.109 4.749 4.640 0.000 0.000 0.226 432 D C 1.876 178.162 176.300 -0.023 0.000 0.990 432 D CA 0.437 54.433 54.000 -0.007 0.000 0.902 432 D CB 0.172 40.965 40.800 -0.011 0.000 1.038 432 D HN 0.158 nan 8.370 nan 0.000 0.499 433 V N 1.151 121.050 119.914 -0.026 0.000 2.220 433 V HA -0.264 3.856 4.120 0.000 0.000 0.242 433 V C 2.723 178.787 176.094 -0.050 0.000 1.041 433 V CA 2.452 64.727 62.300 -0.042 0.000 0.990 433 V CB -1.485 30.315 31.823 -0.038 0.000 0.634 433 V HN 0.364 nan 8.190 nan 0.000 0.452 434 T N -0.418 114.111 114.554 -0.043 0.000 2.720 434 T HA -0.131 4.219 4.350 0.000 0.000 0.268 434 T C 1.996 176.681 174.700 -0.025 0.000 1.037 434 T CA 1.621 63.687 62.100 -0.056 0.000 1.144 434 T CB -1.245 67.584 68.868 -0.065 0.000 0.864 434 T HN 0.575 nan 8.240 nan 0.000 0.444 435 G N 0.777 109.582 108.800 0.009 0.000 2.516 435 G HA2 -0.064 3.896 3.960 0.000 0.000 0.221 435 G HA3 -0.064 3.896 3.960 0.000 0.000 0.221 435 G C 1.434 176.362 174.900 0.047 0.000 1.107 435 G CA 0.625 45.754 45.100 0.048 0.000 0.747 435 G HN 0.478 nan 8.290 nan 0.000 0.567 436 L N -0.513 120.708 121.223 -0.002 0.000 2.187 436 L HA 0.217 4.557 4.340 0.000 0.000 0.197 436 L C 2.839 179.695 176.870 -0.025 0.000 1.090 436 L CA 0.592 55.420 54.840 -0.020 0.000 0.781 436 L CB -0.538 41.473 42.059 -0.080 0.000 0.956 436 L HN 0.176 nan 8.230 nan 0.000 0.463 437 L N 0.305 121.469 121.223 -0.099 0.000 2.198 437 L HA -0.350 3.990 4.340 0.000 0.000 0.218 437 L C 2.442 179.295 176.870 -0.029 0.000 1.084 437 L CA 1.695 56.451 54.840 -0.139 0.000 0.779 437 L CB -0.628 41.361 42.059 -0.118 0.000 0.890 437 L HN 0.312 nan 8.230 nan 0.000 0.439 438 I N -2.035 118.555 120.570 0.033 0.000 2.193 438 I HA -0.303 3.867 4.170 0.000 0.000 0.240 438 I C 2.322 178.517 176.117 0.131 0.000 1.084 438 I CA 1.262 62.618 61.300 0.093 0.000 1.365 438 I CB -0.344 37.739 38.000 0.137 0.000 1.064 438 I HN 0.127 nan 8.210 nan 0.000 0.410 439 Y N 1.225 121.542 120.300 0.029 0.000 2.716 439 Y HA -0.118 4.432 4.550 -0.000 0.000 0.302 439 Y C 1.965 177.892 175.900 0.044 0.000 1.160 439 Y CA 0.944 59.071 58.100 0.044 0.000 1.362 439 Y CB 0.175 38.660 38.460 0.043 0.000 0.988 439 Y HN 0.096 nan 8.280 nan 0.000 0.546 440 L N -2.463 118.857 121.223 0.162 0.000 2.265 440 L HA -0.059 4.281 4.340 0.000 0.000 0.195 440 L C 2.423 179.399 176.870 0.177 0.000 1.083 440 L CA 1.040 55.980 54.840 0.168 0.000 0.798 440 L CB -1.093 40.989 42.059 0.038 0.000 0.989 440 L HN 0.030 nan 8.230 nan 0.000 0.472 441 S N -0.072 115.728 115.700 0.166 0.000 2.399 441 S HA -0.103 4.367 4.470 0.000 0.000 0.231 441 S C 1.583 176.223 174.600 0.068 0.000 1.022 441 S CA 0.729 59.012 58.200 0.139 0.000 0.983 441 S CB -0.048 63.228 63.200 0.127 0.000 0.803 441 S HN 0.166 nan 8.310 nan 0.000 0.480 442 V N 0.987 120.922 119.914 0.035 0.000 3.636 442 V HA 0.333 4.453 4.120 0.000 0.000 0.279 442 V C 1.354 177.396 176.094 -0.088 0.000 1.263 442 V CA 0.933 63.221 62.300 -0.021 0.000 1.182 442 V CB -0.331 31.476 31.823 -0.026 0.000 0.955 442 V HN 0.586 nan 8.190 nan 0.000 0.443 443 A N 0.235 123.024 122.820 -0.051 0.000 1.999 443 A HA 0.163 4.483 4.320 0.000 0.000 0.190 443 A C 2.094 179.680 177.584 0.002 0.000 1.737 443 A CA 0.469 52.465 52.037 -0.068 0.000 1.257 443 A CB -0.004 18.922 19.000 -0.124 0.000 1.401 443 A HN 0.426 nan 8.150 nan 0.000 0.430 444 R N 0.411 120.939 120.500 0.046 0.000 2.055 444 R HA 0.196 4.536 4.340 0.000 0.000 0.226 444 R C 0.222 176.535 176.300 0.021 0.000 1.135 444 R CA 1.195 57.323 56.100 0.047 0.000 0.959 444 R CB -0.501 29.845 30.300 0.076 0.000 0.854 444 R HN 0.314 nan 8.270 nan 0.000 0.431 445 L N 2.326 123.564 121.223 0.025 0.000 2.873 445 L HA 0.259 4.599 4.340 0.000 0.000 0.236 445 L C 0.167 177.041 176.870 0.006 0.000 1.375 445 L CA -0.179 54.670 54.840 0.014 0.000 1.239 445 L CB 0.580 42.651 42.059 0.021 0.000 1.603 445 L HN 0.380 nan 8.230 nan 0.000 0.430 446 L N 1.005 122.228 121.223 0.001 0.000 3.616 446 L HA 0.222 4.562 4.340 0.000 0.000 0.363 446 L C 0.008 176.875 176.870 -0.005 0.000 1.344 446 L CA 0.546 55.382 54.840 -0.007 0.000 0.997 446 L CB 0.424 42.470 42.059 -0.022 0.000 1.365 446 L HN 0.362 nan 8.230 nan 0.000 0.607 447 L N -1.523 119.700 121.223 0.000 0.000 3.888 447 L HA 0.301 4.641 4.340 0.000 0.000 0.369 447 L C 0.400 177.271 176.870 0.002 0.000 1.200 447 L CA 0.008 54.849 54.840 0.003 0.000 1.268 447 L CB 1.168 43.231 42.059 0.005 0.000 1.573 447 L HN 0.117 nan 8.230 nan 0.000 0.632 448 E N 0.000 120.200 120.200 -0.000 0.000 2.725 448 E HA 0.000 4.350 4.350 0.000 0.000 0.291 448 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 448 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440