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 2ziz_1_B DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.656 176.870 -0.356 0.000 1.165 11 L CA 0.000 54.492 54.840 -0.581 0.000 0.813 11 L CB 0.000 41.344 42.059 -1.192 0.000 0.961 12 T N -0.128 114.348 114.554 -0.130 0.000 2.893 12 T HA 0.780 5.130 4.350 -0.000 0.000 0.291 12 T C -2.974 171.909 174.700 0.305 0.000 1.028 12 T CA -2.296 59.912 62.100 0.180 0.000 0.995 12 T CB 2.403 71.314 68.868 0.070 0.000 1.051 12 T HN 0.179 nan 8.240 nan 0.000 0.470 13 P HA 0.247 nan 4.420 nan 0.000 0.276 13 P C -0.537 176.746 177.300 -0.029 0.000 1.253 13 P CA -0.152 63.125 63.100 0.296 0.000 0.766 13 P CB 0.425 32.306 31.700 0.303 0.000 0.845 14 D N 1.853 122.095 120.400 -0.262 0.000 2.400 14 D HA 0.167 4.807 4.640 -0.000 0.000 0.238 14 D C 0.087 175.959 176.300 -0.714 0.000 1.157 14 D CA 0.445 54.133 54.000 -0.520 0.000 0.889 14 D CB 0.807 41.177 40.800 -0.716 0.000 1.199 14 D HN 0.080 nan 8.370 nan 0.000 0.436 15 V N 2.317 121.979 119.914 -0.419 0.000 2.711 15 V HA 0.342 4.462 4.120 -0.000 0.000 0.304 15 V C -0.400 175.699 176.094 0.008 0.000 1.097 15 V CA -0.865 61.334 62.300 -0.169 0.000 0.906 15 V CB 2.170 33.951 31.823 -0.069 0.000 1.015 15 V HN 0.410 nan 8.190 nan 0.000 0.427 16 R N 3.445 124.064 120.500 0.198 0.000 2.575 16 R HA 0.460 4.800 4.340 -0.000 0.000 0.293 16 R C 0.166 176.546 176.300 0.133 0.000 0.983 16 R CA -0.901 55.308 56.100 0.182 0.000 0.887 16 R CB 1.432 31.881 30.300 0.249 0.000 1.184 16 R HN 0.850 nan 8.270 nan 0.000 0.445 17 N N 1.142 119.887 118.700 0.075 0.000 2.716 17 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 17 N C 0.641 176.181 175.510 0.050 0.000 1.033 17 N CA 1.811 54.892 53.050 0.051 0.000 0.727 17 N CB -0.971 37.539 38.487 0.039 0.000 0.950 17 N HN 1.074 nan 8.380 nan 0.000 0.541 18 G N -1.624 107.207 108.800 0.052 0.000 2.179 18 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 18 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 18 G C 0.167 175.098 174.900 0.051 0.000 0.977 18 G CA 0.418 45.543 45.100 0.043 0.000 0.641 18 G HN 0.568 nan 8.290 nan 0.000 0.533 19 I N 2.918 123.538 120.570 0.084 0.000 2.307 19 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 19 I C -0.036 176.183 176.117 0.170 0.000 1.021 19 I CA -0.927 60.439 61.300 0.110 0.000 1.224 19 I CB 1.029 39.094 38.000 0.107 0.000 1.376 19 I HN 0.227 nan 8.210 nan 0.000 0.470 20 D N 7.496 127.942 120.400 0.076 0.000 2.345 20 D HA 0.395 5.035 4.640 -0.000 0.000 0.247 20 D C -0.482 175.770 176.300 -0.079 0.000 1.108 20 D CA -0.052 53.949 54.000 0.002 0.000 0.894 20 D CB 1.077 41.930 40.800 0.089 0.000 1.203 20 D HN 0.329 nan 8.370 nan 0.000 0.430 21 F N -1.838 117.939 119.950 -0.288 0.000 2.779 21 F HA 0.717 5.244 4.527 -0.000 0.000 0.316 21 F C -1.416 174.214 175.800 -0.284 0.000 1.164 21 F CA -1.384 56.205 58.000 -0.686 0.000 0.924 21 F CB 1.550 40.301 39.000 -0.416 0.000 1.348 21 F HN 0.247 nan 8.300 nan 0.000 0.467 22 K N 2.061 122.454 120.400 -0.011 0.000 2.619 22 K HA 0.759 5.079 4.320 -0.000 0.000 0.251 22 K C -1.659 175.165 176.600 0.374 0.000 0.987 22 K CA -0.305 56.139 56.287 0.261 0.000 0.844 22 K CB 1.622 34.483 32.500 0.602 0.000 1.237 22 K HN 0.923 nan 8.250 nan 0.000 0.447 23 I N -0.242 120.476 120.570 0.245 0.000 3.263 23 I HA 0.701 4.871 4.170 -0.000 0.000 0.314 23 I C 0.352 176.535 176.117 0.110 0.000 1.269 23 I CA -1.063 60.401 61.300 0.273 0.000 0.942 23 I CB 1.693 39.816 38.000 0.205 0.000 1.305 23 I HN 0.428 nan 8.210 nan 0.000 0.474 24 A N 0.596 123.513 122.820 0.162 0.000 1.841 24 A HA 0.041 4.360 4.320 -0.000 0.000 0.214 24 A C 0.547 178.166 177.584 0.058 0.000 1.195 24 A CA 2.271 54.366 52.037 0.097 0.000 0.611 24 A CB -0.435 18.671 19.000 0.177 0.000 0.835 24 A HN 0.861 nan 8.150 nan 0.000 0.443 25 D N -2.328 118.117 120.400 0.076 0.000 2.452 25 D HA 0.284 4.924 4.640 -0.000 0.000 0.226 25 D C 0.010 176.337 176.300 0.044 0.000 1.366 25 D CA -0.547 53.490 54.000 0.062 0.000 0.986 25 D CB 0.852 41.696 40.800 0.073 0.000 1.420 25 D HN -0.061 nan 8.370 nan 0.000 0.583 26 L N 3.139 124.374 121.223 0.020 0.000 2.265 26 L HA -0.048 4.292 4.340 -0.000 0.000 0.215 26 L C 2.171 179.032 176.870 -0.014 0.000 1.117 26 L CA 2.014 56.828 54.840 -0.042 0.000 0.782 26 L CB -0.650 41.377 42.059 -0.053 0.000 0.914 26 L HN 0.544 nan 8.230 nan 0.000 0.441 27 S N -1.520 114.194 115.700 0.022 0.000 2.474 27 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 27 S C 1.821 176.460 174.600 0.065 0.000 0.997 27 S CA 0.621 58.842 58.200 0.035 0.000 0.949 27 S CB -0.649 62.575 63.200 0.039 0.000 0.766 27 S HN 0.496 nan 8.310 nan 0.000 0.517 28 L N 0.996 122.271 121.223 0.087 0.000 2.633 28 L HA 0.104 4.443 4.340 -0.000 0.000 0.235 28 L C 2.828 179.781 176.870 0.138 0.000 1.163 28 L CA 0.481 55.414 54.840 0.156 0.000 0.859 28 L CB -0.751 41.418 42.059 0.183 0.000 0.973 28 L HN 0.466 nan 8.230 nan 0.000 0.451 29 A N 0.226 123.082 122.820 0.060 0.000 1.908 29 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 29 A C 1.925 179.547 177.584 0.063 0.000 1.181 29 A CA 1.966 54.017 52.037 0.022 0.000 0.627 29 A CB -0.340 18.645 19.000 -0.026 0.000 0.818 29 A HN 0.319 nan 8.150 nan 0.000 0.445 30 D N -1.055 119.401 120.400 0.094 0.000 2.084 30 D HA -0.129 4.510 4.640 -0.000 0.000 0.194 30 D C 1.629 178.053 176.300 0.206 0.000 0.990 30 D CA 1.198 55.266 54.000 0.114 0.000 0.826 30 D CB -0.468 40.385 40.800 0.088 0.000 0.971 30 D HN 0.365 nan 8.370 nan 0.000 0.453 31 F N 1.785 121.763 119.950 0.047 0.000 2.046 31 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 31 F C 2.295 178.183 175.800 0.146 0.000 1.123 31 F CA 1.912 59.948 58.000 0.061 0.000 1.199 31 F CB -1.019 37.997 39.000 0.027 0.000 0.972 31 F HN -0.007 nan 8.300 nan 0.000 0.474 32 G N 0.116 109.000 108.800 0.140 0.000 2.529 32 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.219 32 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.219 32 G C 1.814 176.711 174.900 -0.004 0.000 1.177 32 G CA 1.180 46.282 45.100 0.003 0.000 0.773 32 G HN 0.328 nan 8.290 nan 0.000 0.573 33 R N 0.928 121.444 120.500 0.027 0.000 2.120 33 R HA 0.032 4.372 4.340 -0.000 0.000 0.234 33 R C 2.442 178.775 176.300 0.055 0.000 1.123 33 R CA 1.474 57.584 56.100 0.017 0.000 0.975 33 R CB -0.423 29.890 30.300 0.022 0.000 0.866 33 R HN 0.419 nan 8.270 nan 0.000 0.446 34 K N -0.094 120.372 120.400 0.110 0.000 2.057 34 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 34 K C 1.932 178.602 176.600 0.117 0.000 1.050 34 K CA 1.544 57.907 56.287 0.128 0.000 0.935 34 K CB -0.040 32.570 32.500 0.183 0.000 0.715 34 K HN 0.295 nan 8.250 nan 0.000 0.439 35 E N 0.512 120.779 120.200 0.113 0.000 2.152 35 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 35 E C 1.960 178.590 176.600 0.049 0.000 0.983 35 E CA 0.577 57.031 56.400 0.091 0.000 0.818 35 E CB 0.062 29.811 29.700 0.082 0.000 0.758 35 E HN 0.084 nan 8.360 nan 0.000 0.467 36 L N 1.049 122.279 121.223 0.011 0.000 2.012 36 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 36 L C 2.300 179.185 176.870 0.025 0.000 1.073 36 L CA 1.703 56.536 54.840 -0.012 0.000 0.748 36 L CB -0.388 41.638 42.059 -0.055 0.000 0.891 36 L HN 0.011 nan 8.230 nan 0.000 0.431 37 R N -0.986 119.545 120.500 0.052 0.000 2.148 37 R HA -0.035 4.305 4.340 -0.000 0.000 0.223 37 R C 2.265 178.668 176.300 0.173 0.000 1.088 37 R CA 1.015 57.170 56.100 0.093 0.000 0.985 37 R CB -0.364 29.993 30.300 0.096 0.000 0.880 37 R HN 0.345 nan 8.270 nan 0.000 0.451 38 I N 0.876 121.527 120.570 0.134 0.000 2.202 38 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 38 I C 2.608 178.817 176.117 0.154 0.000 1.091 38 I CA 1.122 62.505 61.300 0.139 0.000 1.368 38 I CB -0.393 37.662 38.000 0.090 0.000 1.058 38 I HN 0.146 nan 8.210 nan 0.000 0.410 39 A N 0.545 123.429 122.820 0.107 0.000 1.978 39 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 39 A C 2.138 179.778 177.584 0.092 0.000 1.170 39 A CA 1.816 53.909 52.037 0.093 0.000 0.636 39 A CB -0.649 18.385 19.000 0.057 0.000 0.810 39 A HN 0.487 nan 8.150 nan 0.000 0.448 40 E N -1.198 119.047 120.200 0.075 0.000 2.153 40 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 40 E C 1.762 178.360 176.600 -0.005 0.000 0.988 40 E CA 1.413 57.822 56.400 0.015 0.000 0.811 40 E CB -0.295 29.384 29.700 -0.035 0.000 0.746 40 E HN 0.842 nan 8.360 nan 0.000 0.466 41 H N 0.226 119.324 119.070 0.046 0.000 2.457 41 H HA 0.003 4.559 4.556 -0.000 0.000 0.294 41 H C 1.433 176.825 175.328 0.107 0.000 1.064 41 H CA 0.892 56.976 56.048 0.060 0.000 1.330 41 H CB 0.342 30.135 29.762 0.053 0.000 1.395 41 H HN 0.027 nan 8.280 nan 0.000 0.541 42 E N -0.178 120.163 120.200 0.236 0.000 2.474 42 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 42 E C -0.087 176.637 176.600 0.208 0.000 1.039 42 E CA 0.223 56.804 56.400 0.301 0.000 0.881 42 E CB 0.480 30.330 29.700 0.250 0.000 0.970 42 E HN 0.526 nan 8.360 nan 0.000 0.486 43 M N 1.661 121.306 119.600 0.075 0.000 3.003 43 M HA 0.176 4.656 4.480 -0.000 0.000 0.221 43 M C -1.870 174.387 176.300 -0.071 0.000 1.126 43 M CA -1.439 53.849 55.300 -0.020 0.000 0.778 43 M CB 1.232 33.843 32.600 0.019 0.000 1.380 43 M HN -0.219 nan 8.290 nan 0.000 0.508 44 P HA -0.104 nan 4.420 nan 0.000 0.222 44 P C 1.371 178.523 177.300 -0.248 0.000 1.147 44 P CA 1.367 64.353 63.100 -0.190 0.000 0.790 44 P CB 0.153 31.711 31.700 -0.237 0.000 0.780 45 G N 1.037 109.670 108.800 -0.278 0.000 2.453 45 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 45 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 45 G C 1.692 176.576 174.900 -0.028 0.000 1.201 45 G CA 0.521 45.544 45.100 -0.129 0.000 0.784 45 G HN 0.216 nan 8.290 nan 0.000 0.545 46 L N 0.114 121.339 121.223 0.004 0.000 2.046 46 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 46 L C 2.964 179.829 176.870 -0.009 0.000 1.077 46 L CA 0.744 55.594 54.840 0.017 0.000 0.747 46 L CB -0.332 41.746 42.059 0.031 0.000 0.896 46 L HN 0.171 nan 8.230 nan 0.000 0.432 47 M N -1.297 118.280 119.600 -0.038 0.000 2.460 47 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 47 M C 2.350 178.623 176.300 -0.046 0.000 1.071 47 M CA 1.125 56.395 55.300 -0.050 0.000 1.096 47 M CB -1.214 31.341 32.600 -0.076 0.000 1.408 47 M HN 0.125 nan 8.290 nan 0.000 0.463 48 S N -0.108 115.564 115.700 -0.047 0.000 2.470 48 S HA 0.168 4.638 4.470 -0.000 0.000 0.222 48 S C 1.821 176.410 174.600 -0.019 0.000 1.024 48 S CA 0.119 58.290 58.200 -0.049 0.000 0.931 48 S CB 0.225 63.381 63.200 -0.074 0.000 0.791 48 S HN 0.425 nan 8.310 nan 0.000 0.513 49 L N 0.571 121.814 121.223 0.032 0.000 2.209 49 L HA 0.156 4.496 4.340 -0.000 0.000 0.207 49 L C 2.753 179.702 176.870 0.132 0.000 1.094 49 L CA 0.632 55.553 54.840 0.135 0.000 0.790 49 L CB -0.329 41.832 42.059 0.171 0.000 0.932 49 L HN 0.186 nan 8.230 nan 0.000 0.447 50 R N -0.084 120.450 120.500 0.056 0.000 2.091 50 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 50 R C 2.476 178.789 176.300 0.022 0.000 1.136 50 R CA 1.390 57.511 56.100 0.035 0.000 0.959 50 R CB -0.139 30.159 30.300 -0.003 0.000 0.856 50 R HN 0.331 nan 8.270 nan 0.000 0.437 51 R N 0.240 120.734 120.500 -0.010 0.000 2.064 51 R HA -0.166 4.174 4.340 -0.000 0.000 0.228 51 R C 2.301 178.562 176.300 -0.066 0.000 1.144 51 R CA 1.638 57.718 56.100 -0.034 0.000 0.932 51 R CB -0.461 29.810 30.300 -0.048 0.000 0.833 51 R HN 0.317 nan 8.270 nan 0.000 0.429 52 E N -0.276 119.845 120.200 -0.131 0.000 2.233 52 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 52 E C 0.618 176.978 176.600 -0.401 0.000 1.004 52 E CA 1.526 57.727 56.400 -0.332 0.000 0.819 52 E CB 0.120 29.505 29.700 -0.524 0.000 0.738 52 E HN 0.411 nan 8.360 nan 0.000 0.478 53 Y N -2.155 118.146 120.300 0.000 0.000 2.499 53 Y HA 0.438 4.988 4.550 -0.000 0.000 0.253 53 Y C 1.632 177.533 175.900 0.002 0.000 1.105 53 Y CA 0.105 58.208 58.100 0.005 0.000 1.240 53 Y CB 0.363 38.828 38.460 0.008 0.000 1.289 53 Y HN 0.121 nan 8.280 nan 0.000 0.534 54 A N 0.324 123.216 122.820 0.120 0.000 2.066 54 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 54 A C 2.100 179.717 177.584 0.056 0.000 1.157 54 A CA 1.626 53.706 52.037 0.072 0.000 0.670 54 A CB -0.324 18.698 19.000 0.037 0.000 0.804 54 A HN 0.500 nan 8.150 nan 0.000 0.453 55 E N 0.337 120.568 120.200 0.052 0.000 2.072 55 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 55 E C 1.688 178.325 176.600 0.063 0.000 0.982 55 E CA 1.614 58.040 56.400 0.043 0.000 0.803 55 E CB -0.157 29.556 29.700 0.023 0.000 0.755 55 E HN 0.324 nan 8.360 nan 0.000 0.453 56 V N 0.848 120.823 119.914 0.101 0.000 2.358 56 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 56 V C 0.952 177.109 176.094 0.105 0.000 1.047 56 V CA 1.402 63.778 62.300 0.128 0.000 1.035 56 V CB -0.562 31.408 31.823 0.244 0.000 0.658 56 V HN 0.385 nan 8.190 nan 0.000 0.452 57 Q N -1.543 118.317 119.800 0.099 0.000 2.464 57 Q HA -0.190 4.150 4.340 -0.000 0.000 0.304 57 Q C -1.274 174.759 176.000 0.055 0.000 1.401 57 Q CA 1.042 56.882 55.803 0.062 0.000 0.806 57 Q CB -1.632 27.134 28.738 0.047 0.000 1.134 57 Q HN 0.544 nan 8.270 nan 0.000 0.411 58 P HA -0.151 nan 4.420 nan 0.000 0.219 58 P C 1.094 178.452 177.300 0.097 0.000 1.146 58 P CA 1.042 64.160 63.100 0.030 0.000 0.808 58 P CB 0.143 31.760 31.700 -0.139 0.000 0.779 59 L N -1.167 120.043 121.223 -0.022 0.000 2.700 59 L HA 0.181 4.521 4.340 -0.000 0.000 0.234 59 L C 0.970 177.708 176.870 -0.221 0.000 1.156 59 L CA -0.341 54.373 54.840 -0.209 0.000 0.946 59 L CB -0.327 41.562 42.059 -0.285 0.000 1.216 59 L HN -0.203 nan 8.230 nan 0.000 0.493 60 K N 1.140 121.537 120.400 -0.005 0.000 2.477 60 K HA -0.007 4.313 4.320 -0.000 0.000 0.275 60 K C 1.254 177.900 176.600 0.075 0.000 1.054 60 K CA 1.015 57.321 56.287 0.031 0.000 1.135 60 K CB 0.077 32.628 32.500 0.085 0.000 0.854 60 K HN 0.387 nan 8.250 nan 0.000 0.484 61 G N 1.754 110.529 108.800 -0.042 0.000 2.179 61 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 61 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 61 G C 0.221 174.908 174.900 -0.354 0.000 0.977 61 G CA 0.175 45.260 45.100 -0.025 0.000 0.641 61 G HN 0.859 nan 8.290 nan 0.000 0.533 62 A N 0.076 122.348 122.820 -0.913 0.000 2.440 62 A HA 0.690 5.010 4.320 -0.000 0.000 0.251 62 A C 0.712 177.869 177.584 -0.712 0.000 1.089 62 A CA 0.306 51.495 52.037 -1.414 0.000 0.779 62 A CB 0.231 18.367 19.000 -1.441 0.000 1.022 62 A HN 0.504 nan 8.150 nan 0.000 0.492 63 R N 2.328 122.413 120.500 -0.691 0.000 2.363 63 R HA 0.354 4.694 4.340 -0.000 0.000 0.297 63 R C -1.317 174.707 176.300 -0.460 0.000 1.208 63 R CA -0.093 55.573 56.100 -0.722 0.000 1.121 63 R CB 0.991 30.440 30.300 -1.417 0.000 1.124 63 R HN 0.708 nan 8.270 nan 0.000 0.561 64 I N 1.732 122.266 120.570 -0.060 0.000 2.291 64 I HA 0.100 4.270 4.170 -0.000 0.000 0.292 64 I C 0.257 176.534 176.117 0.267 0.000 1.064 64 I CA -0.002 61.319 61.300 0.035 0.000 1.269 64 I CB 1.482 39.482 38.000 -0.000 0.000 1.418 64 I HN 0.361 nan 8.210 nan 0.000 0.485 65 S N 4.875 120.698 115.700 0.205 0.000 2.405 65 S HA 0.377 4.847 4.470 -0.000 0.000 0.291 65 S C 0.465 174.912 174.600 -0.255 0.000 1.137 65 S CA -0.544 57.718 58.200 0.103 0.000 1.061 65 S CB 0.491 63.803 63.200 0.186 0.000 1.001 65 S HN 0.776 nan 8.310 nan 0.000 0.507 66 G N 1.630 110.047 108.800 -0.638 0.000 2.379 66 G HA2 0.488 4.448 3.960 -0.000 0.000 0.327 66 G HA3 0.488 4.448 3.960 -0.000 0.000 0.327 66 G C -0.614 173.476 174.900 -1.351 0.000 1.145 66 G CA -0.496 43.757 45.100 -1.411 0.000 0.905 66 G HN 0.546 nan 8.290 nan 0.000 0.466 67 S N 1.588 116.773 115.700 -0.860 0.000 2.532 67 S HA 0.545 5.015 4.470 -0.000 0.000 0.256 67 S C -1.149 173.216 174.600 -0.391 0.000 1.298 67 S CA -0.579 57.286 58.200 -0.559 0.000 1.166 67 S CB 0.099 63.113 63.200 -0.311 0.000 1.022 67 S HN 0.546 nan 8.310 nan 0.000 0.480 68 L N 5.577 126.617 121.223 -0.304 0.000 2.543 68 L HA 0.449 4.789 4.340 -0.000 0.000 0.265 68 L C -0.579 176.430 176.870 0.232 0.000 0.945 68 L CA -0.289 54.578 54.840 0.045 0.000 0.869 68 L CB 1.462 43.725 42.059 0.341 0.000 1.294 68 L HN 0.661 nan 8.230 nan 0.000 0.405 69 H N 4.332 123.521 119.070 0.199 0.000 3.212 69 H HA -0.134 4.422 4.556 -0.000 0.000 0.292 69 H C 0.256 175.708 175.328 0.207 0.000 0.922 69 H CA 0.585 56.736 56.048 0.170 0.000 1.389 69 H CB 0.391 30.226 29.762 0.122 0.000 1.321 69 H HN 0.572 nan 8.280 nan 0.000 0.563 70 M N 4.615 124.373 119.600 0.264 0.000 3.213 70 M HA 0.070 4.550 4.480 -0.000 0.000 0.275 70 M C -0.172 176.162 176.300 0.057 0.000 1.424 70 M CA -0.333 55.060 55.300 0.156 0.000 1.561 70 M CB -0.645 32.047 32.600 0.153 0.000 1.109 70 M HN 0.612 nan 8.290 nan 0.000 0.552 71 T N -1.038 113.543 114.554 0.045 0.000 2.948 71 T HA 0.491 4.841 4.350 -0.000 0.000 0.285 71 T C 1.130 175.777 174.700 -0.088 0.000 1.019 71 T CA -0.987 61.110 62.100 -0.005 0.000 1.013 71 T CB 1.035 69.940 68.868 0.062 0.000 1.117 71 T HN 0.135 nan 8.240 nan 0.000 0.533 72 V N 1.330 121.170 119.914 -0.122 0.000 2.380 72 V HA -0.211 3.909 4.120 -0.000 0.000 0.251 72 V C 2.814 178.880 176.094 -0.047 0.000 1.063 72 V CA 2.015 64.239 62.300 -0.128 0.000 1.055 72 V CB -1.106 30.670 31.823 -0.078 0.000 0.657 72 V HN 0.804 nan 8.190 nan 0.000 0.455 73 Q N -0.498 119.323 119.800 0.034 0.000 2.049 73 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 73 Q C 2.393 178.516 176.000 0.204 0.000 0.971 73 Q CA 2.063 57.948 55.803 0.138 0.000 0.833 73 Q CB -0.845 27.997 28.738 0.173 0.000 0.896 73 Q HN 0.557 nan 8.270 nan 0.000 0.434 74 T N 0.576 115.228 114.554 0.163 0.000 2.833 74 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 74 T C 1.751 176.224 174.700 -0.379 0.000 1.054 74 T CA 1.051 63.088 62.100 -0.106 0.000 1.135 74 T CB -0.335 68.527 68.868 -0.011 0.000 0.869 74 T HN 0.406 nan 8.240 nan 0.000 0.466 75 A N 0.911 123.565 122.820 -0.276 0.000 1.902 75 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 75 A C 2.473 179.888 177.584 -0.282 0.000 1.181 75 A CA 1.362 53.200 52.037 -0.331 0.000 0.623 75 A CB -0.858 17.990 19.000 -0.254 0.000 0.818 75 A HN 0.391 nan 8.150 nan 0.000 0.443 76 V N -0.174 119.636 119.914 -0.174 0.000 2.759 76 V HA -0.176 3.944 4.120 -0.000 0.000 0.256 76 V C 2.391 178.390 176.094 -0.158 0.000 1.080 76 V CA 1.668 63.894 62.300 -0.124 0.000 1.101 76 V CB -0.742 31.060 31.823 -0.036 0.000 0.698 76 V HN 0.615 nan 8.190 nan 0.000 0.477 77 L N 0.194 121.266 121.223 -0.252 0.000 2.049 77 L HA -0.003 4.337 4.340 -0.000 0.000 0.203 77 L C 2.191 178.829 176.870 -0.386 0.000 1.074 77 L CA 1.708 56.333 54.840 -0.359 0.000 0.749 77 L CB -0.500 41.099 42.059 -0.766 0.000 0.907 77 L HN 0.165 nan 8.230 nan 0.000 0.439 78 I N 0.066 120.295 120.570 -0.567 0.000 2.185 78 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 78 I C 2.203 178.128 176.117 -0.319 0.000 1.088 78 I CA 1.929 62.878 61.300 -0.586 0.000 1.347 78 I CB -0.364 37.153 38.000 -0.806 0.000 1.041 78 I HN 0.426 nan 8.210 nan 0.000 0.415 79 E N -0.507 119.532 120.200 -0.268 0.000 2.435 79 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 79 E C 1.937 178.456 176.600 -0.136 0.000 1.029 79 E CA 0.729 57.018 56.400 -0.185 0.000 0.865 79 E CB 0.125 29.719 29.700 -0.176 0.000 0.833 79 E HN 0.473 nan 8.360 nan 0.000 0.510 80 T N 1.276 115.748 114.554 -0.136 0.000 2.809 80 T HA -0.032 4.318 4.350 -0.000 0.000 0.260 80 T C 1.922 176.573 174.700 -0.082 0.000 1.039 80 T CA 0.609 62.655 62.100 -0.089 0.000 1.141 80 T CB -0.030 68.793 68.868 -0.075 0.000 0.869 80 T HN 0.099 nan 8.240 nan 0.000 0.437 81 L N 1.453 122.611 121.223 -0.108 0.000 2.083 81 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 81 L C 2.887 179.706 176.870 -0.085 0.000 1.083 81 L CA 1.520 56.304 54.840 -0.094 0.000 0.752 81 L CB -1.079 40.931 42.059 -0.082 0.000 0.899 81 L HN 0.426 nan 8.230 nan 0.000 0.433 82 T N -3.546 110.955 114.554 -0.088 0.000 3.088 82 T HA 0.142 4.492 4.350 -0.000 0.000 0.259 82 T C 1.627 176.292 174.700 -0.058 0.000 1.122 82 T CA 0.558 62.616 62.100 -0.071 0.000 1.095 82 T CB 0.106 68.929 68.868 -0.075 0.000 0.930 82 T HN 0.260 nan 8.240 nan 0.000 0.508 83 A N 0.867 123.654 122.820 -0.055 0.000 2.218 83 A HA 0.507 4.826 4.320 -0.000 0.000 0.209 83 A C 1.859 179.437 177.584 -0.010 0.000 1.168 83 A CA 0.190 52.208 52.037 -0.031 0.000 0.804 83 A CB -0.330 18.652 19.000 -0.030 0.000 0.834 83 A HN 0.559 nan 8.150 nan 0.000 0.482 84 L N -1.837 119.372 121.223 -0.023 0.000 2.959 84 L HA 0.307 4.647 4.340 -0.000 0.000 0.259 84 L C 1.411 178.259 176.870 -0.037 0.000 1.185 84 L CA 0.592 55.423 54.840 -0.014 0.000 0.998 84 L CB 0.381 42.421 42.059 -0.032 0.000 1.337 84 L HN 0.519 nan 8.230 nan 0.000 0.555 85 G N 0.314 109.088 108.800 -0.043 0.000 2.213 85 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 85 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 85 G C 0.443 175.288 174.900 -0.091 0.000 0.992 85 G CA -0.042 45.027 45.100 -0.050 0.000 0.632 85 G HN 0.430 nan 8.290 nan 0.000 0.511 86 A N 0.101 122.852 122.820 -0.115 0.000 2.351 86 A HA 0.676 4.996 4.320 -0.000 0.000 0.257 86 A C 0.248 177.797 177.584 -0.059 0.000 1.087 86 A CA 0.269 52.218 52.037 -0.147 0.000 0.798 86 A CB 0.421 19.326 19.000 -0.158 0.000 1.033 86 A HN 0.432 nan 8.150 nan 0.000 0.488 87 E N -0.519 119.662 120.200 -0.031 0.000 2.204 87 E HA 0.492 4.842 4.350 -0.000 0.000 0.276 87 E C -0.680 176.108 176.600 0.314 0.000 0.974 87 E CA -0.558 55.931 56.400 0.150 0.000 0.815 87 E CB 1.926 31.767 29.700 0.236 0.000 1.119 87 E HN 0.655 nan 8.360 nan 0.000 0.393 88 V N 0.889 120.996 119.914 0.320 0.000 3.040 88 V HA 0.715 4.835 4.120 -0.000 0.000 0.312 88 V C -1.227 174.961 176.094 0.156 0.000 1.115 88 V CA -0.813 61.696 62.300 0.349 0.000 0.998 88 V CB 2.140 34.147 31.823 0.307 0.000 1.042 88 V HN 0.650 nan 8.190 nan 0.000 0.433 89 R N 3.225 123.822 120.500 0.162 0.000 2.564 89 R HA 0.499 4.839 4.340 -0.000 0.000 0.284 89 R C -1.850 174.566 176.300 0.194 0.000 1.031 89 R CA -0.458 55.629 56.100 -0.021 0.000 0.904 89 R CB 2.172 32.179 30.300 -0.489 0.000 1.199 89 R HN 0.877 nan 8.270 nan 0.000 0.443 90 W N 1.824 123.125 121.300 0.002 0.000 2.819 90 W HA 0.714 5.374 4.660 -0.000 0.000 0.337 90 W C -1.322 175.239 176.519 0.070 0.000 1.077 90 W CA -0.417 56.930 57.345 0.003 0.000 1.226 90 W CB 2.316 31.749 29.460 -0.046 0.000 1.419 90 W HN 0.666 nan 8.180 nan 0.000 0.502 91 A N 2.179 124.962 122.820 -0.062 0.000 2.515 91 A HA 0.567 4.886 4.320 -0.000 0.000 0.296 91 A C -0.913 176.626 177.584 -0.076 0.000 1.094 91 A CA -0.493 51.533 52.037 -0.019 0.000 0.718 91 A CB 1.832 20.719 19.000 -0.189 0.000 1.307 91 A HN 0.381 nan 8.150 nan 0.000 0.408 92 S N -0.615 115.072 115.700 -0.021 0.000 2.584 92 S HA 0.256 4.726 4.470 -0.000 0.000 0.273 92 S C 1.025 175.550 174.600 -0.123 0.000 1.311 92 S CA -0.039 58.152 58.200 -0.016 0.000 1.034 92 S CB 0.190 63.411 63.200 0.036 0.000 0.939 92 S HN 1.609 nan 8.310 nan 0.000 0.513 93 C N 3.772 122.974 119.300 -0.163 0.000 2.578 93 C HA 0.485 4.944 4.460 -0.000 0.000 0.285 93 C C 0.504 175.514 174.990 0.035 0.000 1.297 93 C CA -0.949 58.025 59.018 -0.072 0.000 1.690 93 C CB -2.113 25.503 27.740 -0.206 0.000 1.773 93 C HN 0.739 nan 8.230 nan 0.000 0.594 94 N N 0.762 119.499 118.700 0.062 0.000 2.367 94 N HA 0.292 5.032 4.740 -0.000 0.000 0.278 94 N C 0.480 175.962 175.510 -0.047 0.000 1.117 94 N CA -0.395 52.645 53.050 -0.016 0.000 0.867 94 N CB 1.615 40.161 38.487 0.097 0.000 1.649 94 N HN 0.369 nan 8.380 nan 0.000 0.479 95 I N -0.733 119.666 120.570 -0.284 0.000 2.916 95 I HA 0.059 4.229 4.170 -0.000 0.000 0.267 95 I C 0.013 175.821 176.117 -0.516 0.000 1.263 95 I CA 1.111 62.144 61.300 -0.446 0.000 1.471 95 I CB -0.231 37.383 38.000 -0.644 0.000 1.089 95 I HN 0.212 nan 8.210 nan 0.000 0.468 96 F N 0.666 120.640 119.950 0.040 0.000 2.746 96 F HA 0.227 4.754 4.527 -0.000 0.000 0.320 96 F C 2.320 178.171 175.800 0.085 0.000 1.097 96 F CA 0.079 58.115 58.000 0.061 0.000 1.195 96 F CB -0.328 38.707 39.000 0.059 0.000 1.056 96 F HN 0.091 nan 8.300 nan 0.000 0.562 97 S N -1.315 114.530 115.700 0.241 0.000 2.603 97 S HA 0.037 4.507 4.470 -0.000 0.000 0.220 97 S C 0.818 175.537 174.600 0.199 0.000 0.967 97 S CA 0.051 58.395 58.200 0.241 0.000 0.920 97 S CB -0.934 62.529 63.200 0.438 0.000 0.773 97 S HN 0.080 nan 8.310 nan 0.000 0.529 98 T N 3.086 117.742 114.554 0.169 0.000 2.851 98 T HA 0.205 4.555 4.350 -0.000 0.000 0.298 98 T C -0.302 174.484 174.700 0.142 0.000 0.977 98 T CA 0.023 62.209 62.100 0.144 0.000 1.126 98 T CB 0.877 69.824 68.868 0.131 0.000 0.916 98 T HN 0.402 nan 8.240 nan 0.000 0.529 99 Q N 2.681 122.534 119.800 0.090 0.000 2.430 99 Q HA 0.141 4.481 4.340 -0.000 0.000 0.245 99 Q C 0.373 176.394 176.000 0.035 0.000 1.021 99 Q CA -0.645 55.202 55.803 0.073 0.000 0.867 99 Q CB 0.940 29.661 28.738 -0.028 0.000 1.210 99 Q HN 0.582 nan 8.270 nan 0.000 0.487 100 D N 1.668 122.167 120.400 0.165 0.000 2.092 100 D HA -0.242 4.398 4.640 -0.000 0.000 0.193 100 D C 1.766 178.110 176.300 0.073 0.000 0.994 100 D CA 1.548 55.639 54.000 0.152 0.000 0.828 100 D CB -0.104 40.817 40.800 0.201 0.000 0.963 100 D HN 0.711 nan 8.370 nan 0.000 0.450 101 H N 0.923 119.972 119.070 -0.035 0.000 2.400 101 H HA -0.101 4.455 4.556 -0.000 0.000 0.295 101 H C 1.741 176.976 175.328 -0.155 0.000 1.118 101 H CA 1.850 57.825 56.048 -0.122 0.000 1.256 101 H CB -0.591 28.969 29.762 -0.336 0.000 1.365 101 H HN 0.116 nan 8.280 nan 0.000 0.502 102 A N 1.664 124.040 122.820 -0.740 0.000 1.897 102 A HA 0.184 4.504 4.320 -0.000 0.000 0.215 102 A C 2.853 180.272 177.584 -0.276 0.000 1.181 102 A CA 1.718 53.445 52.037 -0.516 0.000 0.620 102 A CB -0.945 17.745 19.000 -0.517 0.000 0.821 102 A HN 0.641 nan 8.150 nan 0.000 0.443 103 A N 0.063 122.769 122.820 -0.191 0.000 1.902 103 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 103 A C 2.491 179.990 177.584 -0.141 0.000 1.181 103 A CA 2.061 54.026 52.037 -0.119 0.000 0.623 103 A CB -0.993 18.003 19.000 -0.007 0.000 0.818 103 A HN 1.000 nan 8.150 nan 0.000 0.443 104 A N -0.043 122.706 122.820 -0.117 0.000 1.877 104 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 104 A C 2.526 180.015 177.584 -0.160 0.000 1.186 104 A CA 2.201 54.159 52.037 -0.132 0.000 0.620 104 A CB -1.109 17.861 19.000 -0.051 0.000 0.822 104 A HN 1.115 nan 8.150 nan 0.000 0.443 105 A N -0.700 122.032 122.820 -0.148 0.000 1.940 105 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 105 A C 2.194 179.675 177.584 -0.173 0.000 1.176 105 A CA 1.925 53.876 52.037 -0.143 0.000 0.631 105 A CB -0.797 18.114 19.000 -0.149 0.000 0.814 105 A HN 0.429 nan 8.150 nan 0.000 0.446 106 V N -0.851 118.940 119.914 -0.204 0.000 2.488 106 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 106 V C 2.491 178.454 176.094 -0.218 0.000 1.046 106 V CA 1.546 63.712 62.300 -0.222 0.000 1.053 106 V CB -0.402 31.262 31.823 -0.266 0.000 0.679 106 V HN 0.350 nan 8.190 nan 0.000 0.458 107 V N -0.069 119.696 119.914 -0.250 0.000 2.358 107 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 107 V C 2.411 178.345 176.094 -0.266 0.000 1.047 107 V CA 1.822 63.935 62.300 -0.312 0.000 1.035 107 V CB -0.171 31.320 31.823 -0.554 0.000 0.658 107 V HN 0.422 nan 8.190 nan 0.000 0.452 108 V N -0.281 119.494 119.914 -0.232 0.000 2.427 108 V HA 0.175 4.295 4.120 -0.000 0.000 0.248 108 V C 1.313 177.330 176.094 -0.128 0.000 1.051 108 V CA 1.124 63.325 62.300 -0.165 0.000 1.048 108 V CB -1.385 30.359 31.823 -0.131 0.000 0.666 108 V HN 0.782 nan 8.190 nan 0.000 0.456 109 G N 0.340 109.054 108.800 -0.144 0.000 2.814 109 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.677 109 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.677 109 G C -1.370 173.436 174.900 -0.157 0.000 1.429 109 G CA -0.129 44.881 45.100 -0.150 0.000 0.868 109 G HN 0.248 nan 8.290 nan 0.000 0.553 110 P HA -0.058 nan 4.420 nan 0.000 0.221 110 P C 0.758 177.942 177.300 -0.193 0.000 1.150 110 P CA 1.649 64.571 63.100 -0.296 0.000 0.800 110 P CB 0.039 31.436 31.700 -0.506 0.000 0.787 111 H N -1.476 117.575 119.070 -0.031 0.000 2.672 111 H HA 0.400 4.956 4.556 -0.000 0.000 0.277 111 H C 1.274 176.587 175.328 -0.025 0.000 1.074 111 H CA -0.237 55.798 56.048 -0.023 0.000 1.173 111 H CB 0.052 29.802 29.762 -0.019 0.000 1.558 111 H HN 0.079 nan 8.280 nan 0.000 0.539 112 G N 0.635 109.462 108.800 0.045 0.000 2.522 112 G HA2 0.464 4.424 3.960 -0.000 0.000 0.304 112 G HA3 0.464 4.424 3.960 -0.000 0.000 0.304 112 G C -0.028 174.873 174.900 0.003 0.000 1.210 112 G CA -0.205 44.901 45.100 0.010 0.000 0.960 112 G HN 0.249 nan 8.290 nan 0.000 0.497 113 T N -2.656 111.893 114.554 -0.008 0.000 2.887 113 T HA 0.588 4.938 4.350 -0.000 0.000 0.292 113 T C -2.086 172.596 174.700 -0.030 0.000 1.087 113 T CA -1.532 60.562 62.100 -0.010 0.000 1.009 113 T CB 2.252 71.120 68.868 0.001 0.000 1.203 113 T HN 0.172 nan 8.240 nan 0.000 0.518 114 P HA -0.091 nan 4.420 nan 0.000 0.216 114 P C 0.835 178.123 177.300 -0.020 0.000 1.150 114 P CA 1.245 64.321 63.100 -0.039 0.000 0.843 114 P CB -0.000 31.689 31.700 -0.019 0.000 0.787 115 D N -0.796 119.603 120.400 -0.002 0.000 2.194 115 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 115 D C 0.729 177.035 176.300 0.010 0.000 0.964 115 D CA 1.038 55.044 54.000 0.011 0.000 0.846 115 D CB -0.058 40.750 40.800 0.012 0.000 0.962 115 D HN 0.249 nan 8.370 nan 0.000 0.490 116 E N 1.195 121.396 120.200 0.001 0.000 2.916 116 E HA 0.188 4.538 4.350 -0.000 0.000 0.217 116 E C -2.594 173.998 176.600 -0.013 0.000 1.100 116 E CA -2.401 54.000 56.400 0.002 0.000 0.891 116 E CB 1.144 30.849 29.700 0.008 0.000 1.311 116 E HN -0.063 nan 8.360 nan 0.000 0.421 117 P HA 0.052 nan 4.420 nan 0.000 0.271 117 P C -0.498 176.776 177.300 -0.044 0.000 1.216 117 P CA -0.002 63.058 63.100 -0.068 0.000 0.776 117 P CB 1.062 32.687 31.700 -0.124 0.000 0.881 118 K N 1.415 121.783 120.400 -0.054 0.000 2.536 118 K HA 0.244 4.563 4.320 -0.000 0.000 0.203 118 K C 1.175 177.736 176.600 -0.065 0.000 1.063 118 K CA -0.296 55.968 56.287 -0.038 0.000 1.063 118 K CB 1.025 33.519 32.500 -0.011 0.000 0.843 118 K HN 0.508 nan 8.250 nan 0.000 0.521 119 G N 1.312 110.054 108.800 -0.097 0.000 2.666 119 G HA2 0.355 4.314 3.960 -0.000 0.000 0.207 119 G HA3 0.355 4.314 3.960 -0.000 0.000 0.207 119 G C -0.074 174.767 174.900 -0.098 0.000 1.481 119 G CA -0.179 44.850 45.100 -0.118 0.000 1.071 119 G HN 0.037 nan 8.290 nan 0.000 0.572 120 V N -3.193 116.651 119.914 -0.116 0.000 2.960 120 V HA 0.718 4.838 4.120 -0.000 0.000 0.315 120 V C -2.824 173.208 176.094 -0.102 0.000 1.087 120 V CA -2.627 59.622 62.300 -0.085 0.000 0.982 120 V CB 1.874 33.658 31.823 -0.066 0.000 1.039 120 V HN 0.445 nan 8.190 nan 0.000 0.437 121 P HA 0.374 nan 4.420 nan 0.000 0.267 121 P C -0.861 176.322 177.300 -0.195 0.000 1.205 121 P CA 0.123 63.130 63.100 -0.156 0.000 0.765 121 P CB 0.897 32.550 31.700 -0.078 0.000 0.828 122 V N 4.720 124.391 119.914 -0.406 0.000 2.638 122 V HA 0.421 4.541 4.120 -0.000 0.000 0.306 122 V C -0.654 175.137 176.094 -0.506 0.000 1.052 122 V CA -0.366 61.784 62.300 -0.250 0.000 0.885 122 V CB 1.571 33.349 31.823 -0.074 0.000 0.999 122 V HN 0.275 nan 8.190 nan 0.000 0.424 123 F N 3.369 123.412 119.950 0.154 0.000 2.451 123 F HA 0.856 5.383 4.527 -0.000 0.000 0.367 123 F C 0.367 176.298 175.800 0.218 0.000 1.100 123 F CA -0.409 57.729 58.000 0.230 0.000 1.171 123 F CB 1.498 40.503 39.000 0.009 0.000 1.405 123 F HN 0.625 nan 8.300 nan 0.000 0.482 124 A N 2.648 125.753 122.820 0.476 0.000 2.582 124 A HA 0.767 5.087 4.320 -0.000 0.000 0.297 124 A C -2.134 175.753 177.584 0.505 0.000 1.059 124 A CA -0.848 51.339 52.037 0.249 0.000 0.705 124 A CB 0.792 19.874 19.000 0.136 0.000 1.279 124 A HN 0.747 nan 8.150 nan 0.000 0.404 125 W N 0.872 122.261 121.300 0.149 0.000 3.296 125 W HA 0.703 5.363 4.660 -0.000 0.000 0.314 125 W C -0.645 175.966 176.519 0.152 0.000 1.238 125 W CA -0.894 56.535 57.345 0.140 0.000 1.193 125 W CB 1.179 30.724 29.460 0.142 0.000 1.383 125 W HN 0.764 nan 8.180 nan 0.000 0.545 126 K N 2.034 122.607 120.400 0.288 0.000 2.412 126 K HA 0.419 4.739 4.320 -0.000 0.000 0.284 126 K C 0.867 177.634 176.600 0.279 0.000 1.046 126 K CA 1.283 57.714 56.287 0.240 0.000 0.999 126 K CB 0.012 32.665 32.500 0.256 0.000 0.941 126 K HN 1.325 nan 8.250 nan 0.000 0.474 127 G N 3.219 112.152 108.800 0.221 0.000 2.215 127 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.198 127 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.198 127 G C -0.502 174.490 174.900 0.154 0.000 1.047 127 G CA -0.344 44.947 45.100 0.318 0.000 0.747 127 G HN 0.699 nan 8.290 nan 0.000 0.495 128 E N 0.783 120.884 120.200 -0.165 0.000 2.408 128 E HA 0.425 4.775 4.350 -0.000 0.000 0.259 128 E C 1.323 177.900 176.600 -0.039 0.000 1.110 128 E CA 0.519 56.778 56.400 -0.235 0.000 0.929 128 E CB 0.590 29.956 29.700 -0.556 0.000 0.971 128 E HN 0.487 nan 8.360 nan 0.000 0.438 129 T N -1.221 113.383 114.554 0.082 0.000 2.849 129 T HA 0.241 4.591 4.350 -0.000 0.000 0.276 129 T C 1.270 176.029 174.700 0.098 0.000 0.971 129 T CA -0.749 61.406 62.100 0.093 0.000 0.949 129 T CB 0.476 69.426 68.868 0.137 0.000 1.093 129 T HN 0.378 nan 8.240 nan 0.000 0.545 130 L N -0.015 121.282 121.223 0.123 0.000 2.093 130 L HA -0.020 4.319 4.340 -0.000 0.000 0.208 130 L C 2.835 179.908 176.870 0.338 0.000 1.085 130 L CA 1.293 56.252 54.840 0.197 0.000 0.755 130 L CB -0.629 41.541 42.059 0.184 0.000 0.904 130 L HN 0.681 nan 8.230 nan 0.000 0.435 131 E N 0.274 120.632 120.200 0.264 0.000 2.047 131 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 131 E C 2.048 178.842 176.600 0.323 0.000 0.987 131 E CA 1.032 57.599 56.400 0.278 0.000 0.799 131 E CB -0.113 29.693 29.700 0.177 0.000 0.752 131 E HN 0.398 nan 8.360 nan 0.000 0.449 132 E N -0.259 120.103 120.200 0.270 0.000 2.038 132 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 132 E C 1.917 178.674 176.600 0.261 0.000 1.000 132 E CA 1.300 57.896 56.400 0.327 0.000 0.803 132 E CB -0.307 29.595 29.700 0.337 0.000 0.750 132 E HN 0.319 nan 8.360 nan 0.000 0.448 133 Y N -0.305 119.992 120.300 -0.006 0.000 2.069 133 Y HA -0.297 4.252 4.550 -0.000 0.000 0.278 133 Y C 1.660 177.465 175.900 -0.158 0.000 1.175 133 Y CA 1.977 59.953 58.100 -0.208 0.000 1.134 133 Y CB -0.435 37.814 38.460 -0.351 0.000 0.965 133 Y HN 0.114 nan 8.280 nan 0.000 0.498 134 W N -1.627 119.779 121.300 0.177 0.000 2.576 134 W HA -0.032 4.628 4.660 -0.000 0.000 0.270 134 W C 2.147 178.712 176.519 0.076 0.000 1.255 134 W CA 0.452 57.860 57.345 0.104 0.000 1.314 134 W CB -0.832 28.770 29.460 0.237 0.000 1.101 134 W HN 0.292 nan 8.180 nan 0.000 0.595 135 W N 1.524 122.939 121.300 0.190 0.000 2.317 135 W HA -0.312 4.348 4.660 -0.000 0.000 0.318 135 W C 2.382 178.895 176.519 -0.009 0.000 1.227 135 W CA 3.393 60.799 57.345 0.101 0.000 1.269 135 W CB -0.850 28.692 29.460 0.137 0.000 1.155 135 W HN -0.137 nan 8.180 nan 0.000 0.484 136 A N 0.644 123.456 122.820 -0.014 0.000 1.908 136 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 136 A C 2.107 179.422 177.584 -0.449 0.000 1.181 136 A CA 2.957 54.806 52.037 -0.314 0.000 0.627 136 A CB -1.605 17.341 19.000 -0.090 0.000 0.818 136 A HN 0.515 nan 8.150 nan 0.000 0.445 137 A N -0.329 122.260 122.820 -0.386 0.000 1.898 137 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 137 A C 1.963 179.456 177.584 -0.151 0.000 1.181 137 A CA 1.919 53.775 52.037 -0.301 0.000 0.620 137 A CB -0.592 18.226 19.000 -0.303 0.000 0.819 137 A HN 0.681 nan 8.150 nan 0.000 0.442 138 E N -0.367 119.794 120.200 -0.065 0.000 2.048 138 E HA -0.291 4.059 4.350 -0.000 0.000 0.202 138 E C 2.153 178.560 176.600 -0.320 0.000 1.021 138 E CA 1.944 58.330 56.400 -0.024 0.000 0.825 138 E CB -0.206 29.485 29.700 -0.014 0.000 0.756 138 E HN 0.569 nan 8.360 nan 0.000 0.454 139 Q N -0.184 119.183 119.800 -0.723 0.000 2.084 139 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 139 Q C 2.193 177.583 176.000 -1.017 0.000 0.978 139 Q CA 1.577 56.699 55.803 -1.135 0.000 0.844 139 Q CB -0.488 27.038 28.738 -2.021 0.000 0.898 139 Q HN 0.501 nan 8.270 nan 0.000 0.426 140 M N 0.279 119.425 119.600 -0.757 0.000 2.159 140 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 140 M C 1.700 177.863 176.300 -0.230 0.000 1.063 140 M CA 1.443 56.526 55.300 -0.362 0.000 1.110 140 M CB -0.326 32.149 32.600 -0.208 0.000 1.374 140 M HN 0.179 nan 8.290 nan 0.000 0.411 141 L N -0.089 121.059 121.223 -0.124 0.000 2.418 141 L HA 0.005 4.345 4.340 -0.000 0.000 0.218 141 L C 0.379 177.311 176.870 0.104 0.000 1.125 141 L CA 0.338 55.229 54.840 0.085 0.000 0.835 141 L CB -0.172 42.030 42.059 0.239 0.000 0.953 141 L HN 0.131 nan 8.230 nan 0.000 0.454 142 T N 0.063 114.550 114.554 -0.112 0.000 2.891 142 T HA 0.145 4.495 4.350 -0.000 0.000 0.315 142 T C -0.687 173.944 174.700 -0.115 0.000 1.054 142 T CA -0.384 61.649 62.100 -0.111 0.000 0.958 142 T CB -0.177 68.561 68.868 -0.217 0.000 1.008 142 T HN 0.024 nan 8.240 nan 0.000 0.521 143 W N 4.711 125.949 121.300 -0.102 0.000 2.251 143 W HA 0.392 5.051 4.660 -0.000 0.000 0.329 143 W C -1.856 174.628 176.519 -0.059 0.000 1.234 143 W CA -2.018 55.289 57.345 -0.063 0.000 1.228 143 W CB 0.332 29.762 29.460 -0.051 0.000 1.135 143 W HN 0.327 nan 8.180 nan 0.000 0.576 144 P HA 0.155 nan 4.420 nan 0.000 0.253 144 P C -0.471 176.890 177.300 0.101 0.000 1.667 144 P CA 0.118 63.266 63.100 0.080 0.000 1.118 144 P CB 1.276 32.999 31.700 0.040 0.000 1.595 145 D N 2.574 123.020 120.400 0.077 0.000 3.531 145 D HA -0.034 4.606 4.640 -0.000 0.000 0.443 145 D C -1.442 174.876 176.300 0.030 0.000 0.722 145 D CA -0.033 54.001 54.000 0.056 0.000 0.931 145 D CB -0.927 39.917 40.800 0.075 0.000 1.666 145 D HN -0.011 nan 8.370 nan 0.000 0.244 146 P HA -0.228 nan 4.420 nan 0.000 0.213 146 P C 0.686 177.982 177.300 -0.006 0.000 1.158 146 P CA 1.593 64.694 63.100 0.002 0.000 0.792 146 P CB -0.050 31.640 31.700 -0.016 0.000 0.689 147 D N -1.248 119.152 120.400 -0.001 0.000 2.149 147 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 147 D C 0.786 177.076 176.300 -0.017 0.000 0.972 147 D CA 1.199 55.194 54.000 -0.007 0.000 0.835 147 D CB -0.046 40.753 40.800 -0.002 0.000 0.966 147 D HN 0.306 nan 8.370 nan 0.000 0.476 148 K N 1.502 121.894 120.400 -0.013 0.000 2.499 148 K HA 0.279 4.598 4.320 -0.000 0.000 0.215 148 K C -2.513 174.037 176.600 -0.083 0.000 1.041 148 K CA -1.426 54.829 56.287 -0.053 0.000 1.031 148 K CB 2.064 34.542 32.500 -0.037 0.000 1.479 148 K HN 0.081 nan 8.250 nan 0.000 0.518 149 P HA 0.139 nan 4.420 nan 0.000 0.281 149 P C -0.501 176.538 177.300 -0.434 0.000 1.281 149 P CA -0.712 62.305 63.100 -0.139 0.000 0.811 149 P CB 0.621 32.284 31.700 -0.063 0.000 1.154 150 A N 1.855 124.350 122.820 -0.542 0.000 2.583 150 A HA -0.043 4.277 4.320 -0.000 0.000 0.249 150 A C 0.936 178.288 177.584 -0.387 0.000 1.035 150 A CA 0.315 51.956 52.037 -0.661 0.000 0.777 150 A CB -1.109 17.803 19.000 -0.147 0.000 0.942 150 A HN 0.691 nan 8.150 nan 0.000 0.516 151 N N 1.644 120.096 118.700 -0.413 0.000 2.203 151 N HA 0.212 4.952 4.740 -0.000 0.000 0.207 151 N C -0.293 175.128 175.510 -0.148 0.000 1.130 151 N CA 0.092 53.024 53.050 -0.196 0.000 0.861 151 N CB 0.317 38.775 38.487 -0.048 0.000 1.005 151 N HN 0.532 nan 8.380 nan 0.000 0.507 152 M N 0.280 119.735 119.600 -0.242 0.000 2.603 152 M HA 0.431 4.911 4.480 -0.000 0.000 0.275 152 M C -1.660 174.511 176.300 -0.216 0.000 1.226 152 M CA -0.404 54.765 55.300 -0.217 0.000 0.870 152 M CB 2.603 35.078 32.600 -0.208 0.000 1.716 152 M HN -0.166 nan 8.290 nan 0.000 0.482 153 I N 2.006 122.445 120.570 -0.220 0.000 2.569 153 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 153 I C -1.278 174.742 176.117 -0.162 0.000 1.088 153 I CA -0.690 60.493 61.300 -0.194 0.000 1.047 153 I CB 2.897 40.773 38.000 -0.207 0.000 1.237 153 I HN 0.545 nan 8.210 nan 0.000 0.421 154 L N 5.768 126.874 121.223 -0.195 0.000 2.277 154 L HA 0.506 4.846 4.340 -0.000 0.000 0.284 154 L C -1.079 175.667 176.870 -0.206 0.000 1.028 154 L CA -0.140 54.602 54.840 -0.164 0.000 0.835 154 L CB 0.724 42.695 42.059 -0.147 0.000 1.215 154 L HN 0.510 nan 8.230 nan 0.000 0.425 155 D N 2.579 122.911 120.400 -0.113 0.000 2.299 155 D HA 0.345 4.985 4.640 -0.000 0.000 0.243 155 D C -1.338 174.919 176.300 -0.072 0.000 0.982 155 D CA -0.112 53.827 54.000 -0.101 0.000 0.924 155 D CB 2.119 42.897 40.800 -0.038 0.000 1.238 155 D HN 0.418 nan 8.370 nan 0.000 0.484 156 D N 0.530 120.876 120.400 -0.091 0.000 2.364 156 D HA 0.410 5.050 4.640 -0.000 0.000 0.251 156 D C 0.444 176.621 176.300 -0.204 0.000 1.282 156 D CA -0.229 53.690 54.000 -0.134 0.000 0.927 156 D CB -0.016 40.726 40.800 -0.096 0.000 1.267 156 D HN 0.561 nan 8.370 nan 0.000 0.531 157 G N 1.787 110.458 108.800 -0.215 0.000 2.163 157 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.213 157 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.213 157 G C 1.084 176.123 174.900 0.232 0.000 0.991 157 G CA 0.312 45.379 45.100 -0.055 0.000 0.653 157 G HN 1.479 nan 8.290 nan 0.000 0.518 158 G N -0.347 108.542 108.800 0.147 0.000 2.296 158 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.282 158 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.282 158 G C 0.764 175.828 174.900 0.275 0.000 1.014 158 G CA 1.301 46.524 45.100 0.205 0.000 0.812 158 G HN 0.629 nan 8.290 nan 0.000 0.508 159 D N -0.064 120.509 120.400 0.288 0.000 2.183 159 D HA 0.160 4.800 4.640 -0.000 0.000 0.203 159 D C 2.635 179.134 176.300 0.332 0.000 0.969 159 D CA 1.499 55.721 54.000 0.370 0.000 0.842 159 D CB -0.364 40.605 40.800 0.281 0.000 0.957 159 D HN 0.608 nan 8.370 nan 0.000 0.484 160 A N -0.314 122.600 122.820 0.157 0.000 1.929 160 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 160 A C 2.295 179.940 177.584 0.101 0.000 1.176 160 A CA 1.651 53.746 52.037 0.097 0.000 0.628 160 A CB -0.587 18.404 19.000 -0.016 0.000 0.816 160 A HN 0.178 nan 8.150 nan 0.000 0.444 161 T N -0.047 114.576 114.554 0.116 0.000 2.851 161 T HA -0.080 4.270 4.350 -0.000 0.000 0.262 161 T C 1.991 176.722 174.700 0.052 0.000 1.043 161 T CA 1.588 63.753 62.100 0.108 0.000 1.140 161 T CB -0.272 68.682 68.868 0.142 0.000 0.872 161 T HN 0.654 nan 8.240 nan 0.000 0.446 162 M N 0.791 120.495 119.600 0.174 0.000 2.159 162 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 162 M C 2.059 178.443 176.300 0.139 0.000 1.063 162 M CA 1.469 56.892 55.300 0.205 0.000 1.110 162 M CB -0.391 32.351 32.600 0.236 0.000 1.374 162 M HN 0.139 nan 8.290 nan 0.000 0.411 163 L N 0.425 121.753 121.223 0.174 0.000 2.131 163 L HA -0.060 4.279 4.340 -0.000 0.000 0.210 163 L C 2.074 178.653 176.870 -0.485 0.000 1.092 163 L CA 1.443 56.276 54.840 -0.012 0.000 0.759 163 L CB -0.512 41.590 42.059 0.071 0.000 0.903 163 L HN 0.288 nan 8.230 nan 0.000 0.435 164 V N -1.257 118.537 119.914 -0.200 0.000 2.725 164 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 164 V C 2.208 178.264 176.094 -0.062 0.000 1.058 164 V CA 1.224 63.487 62.300 -0.062 0.000 1.080 164 V CB -0.098 31.798 31.823 0.122 0.000 0.713 164 V HN 0.343 nan 8.190 nan 0.000 0.465 165 L N -1.189 119.938 121.223 -0.159 0.000 2.253 165 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 165 L C 2.669 179.393 176.870 -0.243 0.000 1.078 165 L CA 0.629 55.306 54.840 -0.272 0.000 0.805 165 L CB -0.431 41.228 42.059 -0.666 0.000 0.963 165 L HN 0.113 nan 8.230 nan 0.000 0.459 166 R N 0.452 120.837 120.500 -0.191 0.000 2.119 166 R HA 0.018 4.358 4.340 -0.000 0.000 0.222 166 R C 2.201 178.158 176.300 -0.572 0.000 1.088 166 R CA 1.170 57.104 56.100 -0.276 0.000 0.984 166 R CB -0.644 29.683 30.300 0.046 0.000 0.884 166 R HN 0.359 nan 8.270 nan 0.000 0.447 167 G N 0.594 109.111 108.800 -0.472 0.000 2.408 167 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 167 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 167 G C 1.438 176.248 174.900 -0.151 0.000 1.150 167 G CA 0.262 45.052 45.100 -0.517 0.000 0.776 167 G HN 0.202 nan 8.290 nan 0.000 0.542 168 M N -0.184 119.354 119.600 -0.105 0.000 2.349 168 M HA 0.050 4.530 4.480 -0.000 0.000 0.266 168 M C 2.552 178.814 176.300 -0.064 0.000 1.076 168 M CA 0.879 56.182 55.300 0.006 0.000 1.126 168 M CB 0.034 32.659 32.600 0.041 0.000 1.392 168 M HN 0.252 nan 8.290 nan 0.000 0.440 169 Q N -0.819 118.865 119.800 -0.194 0.000 2.172 169 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 169 Q C 1.299 177.256 176.000 -0.071 0.000 0.964 169 Q CA 1.306 57.010 55.803 -0.165 0.000 0.855 169 Q CB 0.048 28.638 28.738 -0.248 0.000 0.918 169 Q HN 0.540 nan 8.270 nan 0.000 0.444 170 Y N 0.415 120.651 120.300 -0.106 0.000 2.475 170 Y HA -0.009 4.541 4.550 -0.000 0.000 0.289 170 Y C 1.645 177.331 175.900 -0.358 0.000 1.121 170 Y CA 0.398 58.363 58.100 -0.226 0.000 1.257 170 Y CB 0.035 38.318 38.460 -0.296 0.000 1.026 170 Y HN 0.146 nan 8.280 nan 0.000 0.555 171 E N 0.023 120.173 120.200 -0.083 0.000 2.122 171 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 171 E C 1.841 178.498 176.600 0.095 0.000 0.977 171 E CA 0.438 56.827 56.400 -0.019 0.000 0.820 171 E CB 0.030 29.830 29.700 0.166 0.000 0.770 171 E HN 0.361 nan 8.360 nan 0.000 0.462 172 K N 0.506 120.945 120.400 0.065 0.000 2.211 172 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 172 K C 1.781 178.423 176.600 0.070 0.000 1.050 172 K CA 0.939 57.268 56.287 0.069 0.000 0.945 172 K CB 0.097 32.625 32.500 0.046 0.000 0.732 172 K HN -0.007 nan 8.250 nan 0.000 0.451 173 A N 0.307 123.162 122.820 0.058 0.000 2.251 173 A HA 0.190 4.510 4.320 -0.000 0.000 0.209 173 A C 1.478 179.101 177.584 0.065 0.000 1.187 173 A CA 0.699 52.773 52.037 0.063 0.000 0.823 173 A CB -0.395 18.657 19.000 0.087 0.000 0.846 173 A HN 0.388 nan 8.150 nan 0.000 0.486 174 G N -1.678 107.185 108.800 0.105 0.000 2.205 174 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.269 174 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.269 174 G C 0.283 175.319 174.900 0.227 0.000 0.977 174 G CA 0.814 46.060 45.100 0.244 0.000 0.652 174 G HN 1.429 nan 8.290 nan 0.000 0.539 175 V N -0.389 119.505 119.914 -0.034 0.000 2.932 175 V HA 0.585 4.705 4.120 -0.000 0.000 0.307 175 V C -0.290 175.607 176.094 -0.329 0.000 1.147 175 V CA -0.670 61.573 62.300 -0.095 0.000 0.951 175 V CB 2.376 34.189 31.823 -0.016 0.000 1.031 175 V HN 0.423 nan 8.190 nan 0.000 0.426 176 V N 8.881 128.559 119.914 -0.392 0.000 2.368 176 V HA 0.376 4.496 4.120 -0.000 0.000 0.266 176 V C -1.745 174.090 176.094 -0.432 0.000 1.045 176 V CA -1.183 60.781 62.300 -0.561 0.000 0.899 176 V CB 1.203 32.780 31.823 -0.410 0.000 1.006 176 V HN 0.829 nan 8.190 nan 0.000 0.470 177 P HA 0.263 nan 4.420 nan 0.000 0.271 177 P C -2.618 174.544 177.300 -0.231 0.000 1.244 177 P CA -0.976 61.952 63.100 -0.287 0.000 0.793 177 P CB -0.038 31.516 31.700 -0.244 0.000 0.984 178 P HA 0.453 nan 4.420 nan 0.000 0.287 178 P C -1.344 175.938 177.300 -0.031 0.000 1.296 178 P CA -0.609 62.441 63.100 -0.083 0.000 0.811 178 P CB 0.899 32.572 31.700 -0.045 0.000 1.211 179 A N 0.062 122.879 122.820 -0.004 0.000 2.386 179 A HA 0.596 4.916 4.320 -0.000 0.000 0.311 179 A C -0.155 177.466 177.584 0.062 0.000 1.068 179 A CA -0.594 51.489 52.037 0.076 0.000 0.743 179 A CB 1.022 20.080 19.000 0.098 0.000 1.258 179 A HN 0.568 nan 8.150 nan 0.000 0.429 180 E N 1.550 121.797 120.200 0.078 0.000 2.283 180 E HA 0.142 4.492 4.350 -0.000 0.000 0.267 180 E C 0.461 177.091 176.600 0.050 0.000 1.045 180 E CA -0.082 56.347 56.400 0.049 0.000 0.884 180 E CB 0.788 30.509 29.700 0.036 0.000 1.106 180 E HN 0.846 nan 8.360 nan 0.000 0.408 181 E N 1.546 121.767 120.200 0.035 0.000 2.233 181 E HA -0.310 4.040 4.350 -0.000 0.000 0.199 181 E C 0.698 177.317 176.600 0.033 0.000 1.004 181 E CA 2.082 58.502 56.400 0.033 0.000 0.819 181 E CB -0.295 29.420 29.700 0.024 0.000 0.738 181 E HN 0.621 nan 8.360 nan 0.000 0.478 182 D N 0.480 120.896 120.400 0.027 0.000 2.323 182 D HA -0.049 4.591 4.640 -0.000 0.000 0.209 182 D C -0.067 176.242 176.300 0.016 0.000 0.973 182 D CA 0.232 54.242 54.000 0.016 0.000 0.874 182 D CB -0.165 40.637 40.800 0.004 0.000 0.930 182 D HN 0.054 nan 8.370 nan 0.000 0.521 183 D N 1.086 121.510 120.400 0.040 0.000 2.362 183 D HA 0.197 4.837 4.640 -0.000 0.000 0.242 183 D C -2.168 174.165 176.300 0.056 0.000 1.132 183 D CA -1.311 52.718 54.000 0.047 0.000 0.907 183 D CB 0.446 41.332 40.800 0.144 0.000 1.195 183 D HN 0.000 nan 8.370 nan 0.000 0.429 184 P HA -0.062 nan 4.420 nan 0.000 0.261 184 P C -0.193 177.183 177.300 0.126 0.000 1.165 184 P CA 0.127 63.249 63.100 0.036 0.000 0.759 184 P CB 0.600 32.281 31.700 -0.032 0.000 0.772 185 A N 3.876 126.756 122.820 0.100 0.000 1.898 185 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 185 A C 2.098 179.776 177.584 0.157 0.000 1.181 185 A CA 1.757 53.865 52.037 0.118 0.000 0.620 185 A CB -1.073 17.983 19.000 0.093 0.000 0.819 185 A HN 0.635 nan 8.150 nan 0.000 0.442 186 E N -1.245 119.056 120.200 0.168 0.000 2.273 186 E HA -0.227 4.122 4.350 -0.000 0.000 0.198 186 E C 1.743 178.514 176.600 0.286 0.000 1.002 186 E CA 1.297 57.848 56.400 0.252 0.000 0.828 186 E CB -0.211 29.615 29.700 0.210 0.000 0.747 186 E HN 0.838 nan 8.360 nan 0.000 0.491 187 W N 0.965 122.284 121.300 0.032 0.000 2.539 187 W HA -0.019 4.641 4.660 -0.000 0.000 0.281 187 W C 1.691 178.233 176.519 0.038 0.000 1.220 187 W CA 0.836 58.187 57.345 0.010 0.000 1.332 187 W CB 0.011 29.446 29.460 -0.042 0.000 1.095 187 W HN -0.030 nan 8.180 nan 0.000 0.571 188 K N 0.702 121.148 120.400 0.077 0.000 1.991 188 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 188 K C 1.943 178.478 176.600 -0.108 0.000 1.049 188 K CA 2.617 58.881 56.287 -0.039 0.000 0.932 188 K CB -0.876 31.653 32.500 0.048 0.000 0.717 188 K HN -0.075 nan 8.250 nan 0.000 0.441 189 V N 0.783 120.690 119.914 -0.011 0.000 2.233 189 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 189 V C 2.052 178.029 176.094 -0.196 0.000 1.063 189 V CA 2.312 64.609 62.300 -0.004 0.000 1.032 189 V CB -0.619 31.305 31.823 0.169 0.000 0.645 189 V HN 0.344 nan 8.190 nan 0.000 0.446 190 F N -0.283 119.347 119.950 -0.534 0.000 2.202 190 F HA -0.190 4.337 4.527 -0.000 0.000 0.301 190 F C 2.019 177.370 175.800 -0.747 0.000 1.082 190 F CA 1.685 59.115 58.000 -0.950 0.000 1.313 190 F CB -0.112 38.209 39.000 -1.130 0.000 1.024 190 F HN 0.037 nan 8.300 nan 0.000 0.495 191 L N -0.463 120.358 121.223 -0.670 0.000 2.270 191 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 191 L C 1.938 178.573 176.870 -0.392 0.000 1.104 191 L CA 0.484 54.956 54.840 -0.613 0.000 0.804 191 L CB -0.659 41.046 42.059 -0.590 0.000 0.937 191 L HN 0.071 nan 8.230 nan 0.000 0.450 192 N N 0.478 119.011 118.700 -0.278 0.000 2.166 192 N HA -0.200 4.539 4.740 -0.000 0.000 0.186 192 N C 1.751 177.180 175.510 -0.134 0.000 1.019 192 N CA 1.124 54.081 53.050 -0.154 0.000 0.856 192 N CB -0.217 38.224 38.487 -0.078 0.000 0.993 192 N HN 0.206 nan 8.380 nan 0.000 0.426 193 L N 0.326 121.426 121.223 -0.205 0.000 2.044 193 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 193 L C 1.863 178.667 176.870 -0.111 0.000 1.075 193 L CA 1.051 55.811 54.840 -0.133 0.000 0.747 193 L CB -0.146 41.813 42.059 -0.165 0.000 0.903 193 L HN 0.094 nan 8.230 nan 0.000 0.435 194 L N -0.946 120.108 121.223 -0.283 0.000 2.217 194 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 194 L C 2.714 179.583 176.870 -0.000 0.000 1.107 194 L CA 0.867 55.621 54.840 -0.143 0.000 0.783 194 L CB -0.424 41.426 42.059 -0.348 0.000 0.919 194 L HN 0.247 nan 8.230 nan 0.000 0.442 195 R N -0.404 120.053 120.500 -0.072 0.000 2.062 195 R HA -0.104 4.236 4.340 -0.000 0.000 0.226 195 R C 2.282 178.631 176.300 0.082 0.000 1.125 195 R CA 1.743 57.849 56.100 0.009 0.000 0.966 195 R CB -0.141 30.117 30.300 -0.069 0.000 0.861 195 R HN 0.230 nan 8.270 nan 0.000 0.433 196 T N 0.661 115.237 114.554 0.037 0.000 2.684 196 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 196 T C 1.736 176.476 174.700 0.067 0.000 1.036 196 T CA 1.674 63.801 62.100 0.045 0.000 1.148 196 T CB -0.291 68.598 68.868 0.035 0.000 0.863 196 T HN 0.170 nan 8.240 nan 0.000 0.436 197 R N 0.700 121.257 120.500 0.096 0.000 2.091 197 R HA -0.033 4.307 4.340 -0.000 0.000 0.238 197 R C 1.971 178.353 176.300 0.136 0.000 1.136 197 R CA 1.268 57.427 56.100 0.098 0.000 0.959 197 R CB -1.193 29.188 30.300 0.135 0.000 0.856 197 R HN 0.366 nan 8.270 nan 0.000 0.437 198 F N 1.493 121.459 119.950 0.028 0.000 2.126 198 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 198 F C 1.975 177.775 175.800 -0.001 0.000 1.096 198 F CA 1.990 60.005 58.000 0.025 0.000 1.255 198 F CB -0.637 38.385 39.000 0.036 0.000 0.997 198 F HN 0.150 nan 8.300 nan 0.000 0.479 199 E N -0.284 119.902 120.200 -0.024 0.000 2.021 199 E HA -0.259 4.091 4.350 -0.000 0.000 0.200 199 E C 2.371 178.888 176.600 -0.138 0.000 1.015 199 E CA 2.825 59.155 56.400 -0.118 0.000 0.824 199 E CB -0.613 29.066 29.700 -0.036 0.000 0.762 199 E HN 0.455 nan 8.360 nan 0.000 0.454 200 T N -2.362 112.146 114.554 -0.076 0.000 2.995 200 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 200 T C 0.235 174.877 174.700 -0.096 0.000 1.091 200 T CA 1.026 63.080 62.100 -0.076 0.000 1.128 200 T CB 0.170 69.010 68.868 -0.047 0.000 0.891 200 T HN -0.019 nan 8.240 nan 0.000 0.492 201 D N -0.337 120.003 120.400 -0.100 0.000 2.764 201 D HA 0.316 4.956 4.640 -0.000 0.000 0.227 201 D C 0.118 176.388 176.300 -0.049 0.000 1.347 201 D CA -0.577 53.364 54.000 -0.098 0.000 0.953 201 D CB 1.849 42.577 40.800 -0.120 0.000 1.476 201 D HN -0.105 nan 8.370 nan 0.000 0.585 202 K N 1.354 121.712 120.400 -0.069 0.000 2.354 202 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 202 K C 0.382 177.098 176.600 0.192 0.000 1.038 202 K CA 0.358 56.649 56.287 0.007 0.000 1.052 202 K CB 1.064 33.468 32.500 -0.160 0.000 0.861 202 K HN 0.490 nan 8.250 nan 0.000 0.535 203 D N -0.314 120.131 120.400 0.074 0.000 2.636 203 D HA 0.010 4.650 4.640 -0.000 0.000 0.270 203 D C 1.103 177.400 176.300 -0.006 0.000 1.430 203 D CA -0.239 53.802 54.000 0.068 0.000 0.796 203 D CB 0.257 41.080 40.800 0.039 0.000 1.117 203 D HN -0.131 nan 8.370 nan 0.000 0.480 204 K N 0.520 120.849 120.400 -0.117 0.000 1.991 204 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 204 K C 1.076 177.516 176.600 -0.266 0.000 1.049 204 K CA 1.582 57.658 56.287 -0.352 0.000 0.932 204 K CB -0.119 31.922 32.500 -0.765 0.000 0.717 204 K HN 0.189 nan 8.250 nan 0.000 0.441 205 W N 0.577 121.895 121.300 0.031 0.000 2.584 205 W HA -0.007 4.653 4.660 -0.000 0.000 0.264 205 W C 2.183 178.715 176.519 0.023 0.000 1.264 205 W CA 0.503 57.859 57.345 0.019 0.000 1.306 205 W CB -0.256 29.205 29.460 0.001 0.000 1.110 205 W HN 0.114 nan 8.180 nan 0.000 0.606 206 T N 0.502 115.189 114.554 0.222 0.000 2.746 206 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 206 T C 1.794 176.553 174.700 0.098 0.000 1.039 206 T CA 1.100 63.283 62.100 0.138 0.000 1.142 206 T CB -0.179 68.755 68.868 0.109 0.000 0.866 206 T HN -0.083 nan 8.240 nan 0.000 0.444 207 K N 0.930 121.367 120.400 0.062 0.000 2.103 207 K HA 0.202 4.522 4.320 -0.000 0.000 0.204 207 K C 2.242 178.865 176.600 0.039 0.000 1.052 207 K CA 0.670 56.976 56.287 0.032 0.000 0.945 207 K CB -0.593 31.904 32.500 -0.005 0.000 0.722 207 K HN 0.390 nan 8.250 nan 0.000 0.443 208 I N 1.070 121.677 120.570 0.062 0.000 2.142 208 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 208 I C 2.239 178.423 176.117 0.112 0.000 1.078 208 I CA 1.192 62.542 61.300 0.084 0.000 1.343 208 I CB -0.433 37.659 38.000 0.154 0.000 1.046 208 I HN 0.020 nan 8.210 nan 0.000 0.405 209 A N 0.101 123.030 122.820 0.181 0.000 2.139 209 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 209 A C 2.039 179.760 177.584 0.228 0.000 1.159 209 A CA 1.795 53.980 52.037 0.246 0.000 0.662 209 A CB -0.558 18.560 19.000 0.197 0.000 0.796 209 A HN 0.561 nan 8.150 nan 0.000 0.463 210 E N -0.803 119.475 120.200 0.130 0.000 2.431 210 E HA -0.018 4.332 4.350 -0.000 0.000 0.200 210 E C 1.934 178.572 176.600 0.063 0.000 0.995 210 E CA 0.665 57.124 56.400 0.099 0.000 0.915 210 E CB 0.217 29.957 29.700 0.066 0.000 0.930 210 E HN 0.751 nan 8.360 nan 0.000 0.496 211 S N 0.228 115.945 115.700 0.028 0.000 2.470 211 S HA 0.047 4.517 4.470 -0.000 0.000 0.222 211 S C 1.128 175.707 174.600 -0.035 0.000 1.024 211 S CA -0.330 57.864 58.200 -0.010 0.000 0.931 211 S CB -0.113 63.063 63.200 -0.042 0.000 0.791 211 S HN -0.081 nan 8.310 nan 0.000 0.513 212 V N 4.090 123.951 119.914 -0.089 0.000 2.486 212 V HA -0.014 4.106 4.120 -0.000 0.000 0.290 212 V C 1.305 177.302 176.094 -0.162 0.000 0.991 212 V CA 0.413 62.565 62.300 -0.248 0.000 1.142 212 V CB -0.105 31.345 31.823 -0.623 0.000 0.926 212 V HN 0.426 nan 8.190 nan 0.000 0.472 213 K N 3.510 123.866 120.400 -0.075 0.000 2.296 213 K HA 0.200 4.520 4.320 -0.000 0.000 0.200 213 K C 0.857 177.443 176.600 -0.022 0.000 1.048 213 K CA 0.910 57.195 56.287 -0.003 0.000 0.966 213 K CB 0.455 32.994 32.500 0.065 0.000 0.754 213 K HN 0.867 nan 8.250 nan 0.000 0.466 214 G N 0.035 108.760 108.800 -0.124 0.000 2.411 214 G HA2 0.267 4.227 3.960 -0.000 0.000 0.295 214 G HA3 0.267 4.227 3.960 -0.000 0.000 0.295 214 G C -2.016 172.775 174.900 -0.181 0.000 1.542 214 G CA -0.647 44.398 45.100 -0.092 0.000 0.814 214 G HN -0.080 nan 8.290 nan 0.000 0.557 215 V N 0.650 120.536 119.914 -0.046 0.000 2.555 215 V HA 0.856 4.976 4.120 -0.000 0.000 0.302 215 V C 0.177 176.272 176.094 0.001 0.000 1.038 215 V CA 0.125 62.397 62.300 -0.046 0.000 0.887 215 V CB 1.983 33.827 31.823 0.035 0.000 0.991 215 V HN 1.461 nan 8.190 nan 0.000 0.434 216 T N 2.474 117.014 114.554 -0.024 0.000 2.772 216 T HA 0.627 4.977 4.350 -0.000 0.000 0.288 216 T C -0.613 174.090 174.700 0.006 0.000 0.994 216 T CA -0.561 61.539 62.100 0.001 0.000 0.951 216 T CB 1.328 70.195 68.868 -0.001 0.000 0.933 216 T HN 0.693 nan 8.240 nan 0.000 0.447 217 E N 1.966 122.175 120.200 0.016 0.000 2.151 217 E HA 0.285 4.635 4.350 -0.000 0.000 0.275 217 E C 0.561 177.164 176.600 0.004 0.000 0.936 217 E CA -0.731 55.670 56.400 0.002 0.000 0.777 217 E CB 1.547 31.243 29.700 -0.007 0.000 1.108 217 E HN 0.737 nan 8.360 nan 0.000 0.401 218 E N 2.603 122.801 120.200 -0.003 0.000 2.251 218 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 218 E C -0.241 176.346 176.600 -0.020 0.000 0.964 218 E CA 0.415 56.829 56.400 0.025 0.000 0.868 218 E CB 0.652 30.403 29.700 0.085 0.000 0.828 218 E HN 0.489 nan 8.360 nan 0.000 0.481 219 T N -0.996 113.506 114.554 -0.086 0.000 2.924 219 T HA 0.236 4.585 4.350 -0.000 0.000 0.291 219 T C 0.918 175.562 174.700 -0.093 0.000 1.045 219 T CA -0.174 61.854 62.100 -0.120 0.000 1.015 219 T CB 1.666 70.380 68.868 -0.256 0.000 1.103 219 T HN -0.055 nan 8.240 nan 0.000 0.496 220 T N 2.101 116.622 114.554 -0.056 0.000 2.624 220 T HA -0.163 4.186 4.350 -0.000 0.000 0.268 220 T C 1.958 176.663 174.700 0.008 0.000 1.041 220 T CA 2.391 64.487 62.100 -0.007 0.000 1.159 220 T CB -0.803 68.071 68.868 0.009 0.000 0.863 220 T HN 0.727 nan 8.240 nan 0.000 0.434 221 T N 1.030 115.582 114.554 -0.003 0.000 2.788 221 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 221 T C 2.255 177.004 174.700 0.082 0.000 1.044 221 T CA 1.266 63.408 62.100 0.070 0.000 1.139 221 T CB -0.769 68.168 68.868 0.114 0.000 0.867 221 T HN 0.582 nan 8.240 nan 0.000 0.454 222 G N 0.408 109.206 108.800 -0.004 0.000 2.448 222 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 222 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 222 G C 1.579 176.484 174.900 0.008 0.000 1.135 222 G CA 0.409 45.526 45.100 0.027 0.000 0.784 222 G HN 0.446 nan 8.290 nan 0.000 0.543 223 V N 0.541 120.434 119.914 -0.037 0.000 2.649 223 V HA -0.006 4.114 4.120 -0.000 0.000 0.248 223 V C 2.519 178.543 176.094 -0.116 0.000 1.054 223 V CA 1.086 63.302 62.300 -0.140 0.000 1.073 223 V CB -0.024 31.719 31.823 -0.132 0.000 0.699 223 V HN 0.355 nan 8.190 nan 0.000 0.463 224 L N 0.938 122.193 121.223 0.053 0.000 1.989 224 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 224 L C 2.524 179.447 176.870 0.087 0.000 1.071 224 L CA 2.006 56.931 54.840 0.140 0.000 0.749 224 L CB -0.826 41.302 42.059 0.115 0.000 0.890 224 L HN 0.176 nan 8.230 nan 0.000 0.431 225 R N -0.760 119.774 120.500 0.056 0.000 2.127 225 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 225 R C 2.331 178.665 176.300 0.056 0.000 1.134 225 R CA 1.518 57.627 56.100 0.015 0.000 0.975 225 R CB -0.487 29.861 30.300 0.080 0.000 0.865 225 R HN 0.424 nan 8.270 nan 0.000 0.447 226 L N -0.562 120.704 121.223 0.072 0.000 2.017 226 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 226 L C 2.157 179.063 176.870 0.060 0.000 1.073 226 L CA 1.468 56.355 54.840 0.079 0.000 0.745 226 L CB -0.494 41.512 42.059 -0.087 0.000 0.894 226 L HN 0.182 nan 8.230 nan 0.000 0.432 227 Y N 0.550 120.896 120.300 0.077 0.000 2.207 227 Y HA -0.271 4.279 4.550 -0.000 0.000 0.287 227 Y C 2.785 178.690 175.900 0.009 0.000 1.156 227 Y CA 1.017 59.141 58.100 0.039 0.000 1.182 227 Y CB -0.767 37.704 38.460 0.019 0.000 0.979 227 Y HN 0.283 nan 8.280 nan 0.000 0.521 228 Q N -1.581 118.279 119.800 0.101 0.000 2.226 228 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 228 Q C 1.846 177.780 176.000 -0.110 0.000 0.975 228 Q CA 1.339 57.108 55.803 -0.057 0.000 0.866 228 Q CB -0.330 28.301 28.738 -0.179 0.000 0.915 228 Q HN 0.408 nan 8.270 nan 0.000 0.440 229 F N 0.094 120.059 119.950 0.025 0.000 2.219 229 F HA 0.038 4.565 4.527 -0.000 0.000 0.294 229 F C 2.272 178.066 175.800 -0.011 0.000 1.086 229 F CA 0.899 58.894 58.000 -0.010 0.000 1.330 229 F CB -0.465 38.514 39.000 -0.035 0.000 1.047 229 F HN -0.015 nan 8.300 nan 0.000 0.495 230 A N -0.514 122.432 122.820 0.209 0.000 2.167 230 A HA 0.216 4.535 4.320 -0.000 0.000 0.214 230 A C 2.243 179.887 177.584 0.101 0.000 1.151 230 A CA 1.073 53.189 52.037 0.132 0.000 0.735 230 A CB -1.005 18.076 19.000 0.136 0.000 0.802 230 A HN 0.245 nan 8.150 nan 0.000 0.467 231 A N -0.316 122.562 122.820 0.097 0.000 1.968 231 A HA 0.325 4.645 4.320 -0.000 0.000 0.217 231 A C 2.084 179.691 177.584 0.038 0.000 1.169 231 A CA 1.429 53.499 52.037 0.054 0.000 0.638 231 A CB -0.469 18.553 19.000 0.036 0.000 0.812 231 A HN 0.981 nan 8.150 nan 0.000 0.446 232 A N -1.468 121.382 122.820 0.050 0.000 2.345 232 A HA 0.449 4.769 4.320 -0.000 0.000 0.225 232 A C 1.548 179.159 177.584 0.044 0.000 1.243 232 A CA 0.893 52.955 52.037 0.041 0.000 0.875 232 A CB -0.987 18.038 19.000 0.041 0.000 0.929 232 A HN 1.777 nan 8.150 nan 0.000 0.502 233 G N -0.109 108.717 108.800 0.043 0.000 2.249 233 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.273 233 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.273 233 G C 0.166 175.076 174.900 0.016 0.000 1.036 233 G CA 0.562 45.678 45.100 0.026 0.000 0.824 233 G HN 0.417 nan 8.290 nan 0.000 0.504 234 D N -1.093 119.330 120.400 0.038 0.000 2.398 234 D HA 0.171 4.810 4.640 -0.000 0.000 0.210 234 D C 0.972 177.198 176.300 -0.122 0.000 1.094 234 D CA -0.209 53.799 54.000 0.013 0.000 0.839 234 D CB 0.448 41.336 40.800 0.147 0.000 0.963 234 D HN 0.416 nan 8.370 nan 0.000 0.506 235 L N 0.913 122.058 121.223 -0.130 0.000 2.281 235 L HA 0.423 4.763 4.340 -0.000 0.000 0.285 235 L C 0.917 177.555 176.870 -0.387 0.000 1.074 235 L CA -0.145 54.501 54.840 -0.324 0.000 0.817 235 L CB 1.261 43.210 42.059 -0.183 0.000 1.168 235 L HN -0.117 nan 8.230 nan 0.000 0.434 236 A N 5.358 127.752 122.820 -0.709 0.000 2.308 236 A HA 0.358 4.678 4.320 -0.000 0.000 0.217 236 A C -0.190 177.222 177.584 -0.287 0.000 1.216 236 A CA 0.171 51.932 52.037 -0.459 0.000 0.864 236 A CB -0.553 18.252 19.000 -0.325 0.000 0.902 236 A HN 0.637 nan 8.150 nan 0.000 0.499 237 F N -4.155 115.794 119.950 -0.001 0.000 2.668 237 F HA 0.628 5.154 4.527 -0.000 0.000 0.309 237 F C -3.409 172.411 175.800 0.033 0.000 1.117 237 F CA -3.725 54.277 58.000 0.004 0.000 0.951 237 F CB 0.514 39.504 39.000 -0.016 0.000 1.323 237 F HN -0.305 nan 8.300 nan 0.000 0.451 238 P HA 0.338 nan 4.420 nan 0.000 0.270 238 P C -0.816 176.595 177.300 0.185 0.000 1.242 238 P CA 0.221 63.432 63.100 0.185 0.000 0.768 238 P CB 0.613 32.324 31.700 0.017 0.000 0.820 239 A N 4.653 127.636 122.820 0.272 0.000 2.325 239 A HA 0.721 5.041 4.320 -0.000 0.000 0.333 239 A C -0.408 177.317 177.584 0.235 0.000 1.155 239 A CA -0.835 51.334 52.037 0.222 0.000 0.814 239 A CB 0.744 19.866 19.000 0.202 0.000 1.206 239 A HN 0.466 nan 8.150 nan 0.000 0.482 240 I N 2.192 122.844 120.570 0.137 0.000 2.389 240 I HA 0.169 4.339 4.170 -0.000 0.000 0.288 240 I C -0.241 175.930 176.117 0.090 0.000 0.999 240 I CA -0.767 60.624 61.300 0.151 0.000 1.129 240 I CB 1.681 39.749 38.000 0.113 0.000 1.288 240 I HN 0.686 nan 8.210 nan 0.000 0.444 241 N N 6.216 124.967 118.700 0.085 0.000 2.400 241 N HA 0.040 4.780 4.740 -0.000 0.000 0.267 241 N C 0.385 175.935 175.510 0.065 0.000 1.208 241 N CA 0.312 53.382 53.050 0.033 0.000 0.951 241 N CB 1.186 39.691 38.487 0.029 0.000 1.227 241 N HN 0.416 nan 8.380 nan 0.000 0.488 242 V N 3.705 123.649 119.914 0.050 0.000 3.174 242 V HA -0.056 4.064 4.120 -0.000 0.000 0.254 242 V C 2.268 178.390 176.094 0.046 0.000 1.120 242 V CA 0.456 62.789 62.300 0.056 0.000 1.114 242 V CB -0.657 31.204 31.823 0.064 0.000 0.756 242 V HN 0.736 nan 8.190 nan 0.000 0.467 243 N N 1.040 119.758 118.700 0.031 0.000 2.094 243 N HA -0.221 4.519 4.740 -0.000 0.000 0.191 243 N C 0.905 176.437 175.510 0.036 0.000 1.023 243 N CA 1.842 54.906 53.050 0.024 0.000 0.857 243 N CB 0.013 38.506 38.487 0.009 0.000 1.013 243 N HN 0.411 nan 8.380 nan 0.000 0.426 244 D N 0.316 120.749 120.400 0.055 0.000 2.325 244 D HA 0.098 4.738 4.640 -0.000 0.000 0.225 244 D C -0.171 176.170 176.300 0.069 0.000 1.096 244 D CA 0.091 54.132 54.000 0.069 0.000 0.844 244 D CB 0.137 40.998 40.800 0.101 0.000 0.925 244 D HN 0.018 nan 8.370 nan 0.000 0.513 245 S N 0.157 115.891 115.700 0.056 0.000 2.537 245 S HA 0.017 4.487 4.470 -0.000 0.000 0.286 245 S C 1.930 176.548 174.600 0.030 0.000 1.299 245 S CA -0.511 57.713 58.200 0.041 0.000 1.067 245 S CB 1.586 64.804 63.200 0.029 0.000 0.864 245 S HN -0.052 nan 8.310 nan 0.000 0.494 246 V N 4.283 124.197 119.914 0.001 0.000 2.250 246 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 246 V C 2.717 178.867 176.094 0.093 0.000 1.060 246 V CA 2.466 64.743 62.300 -0.039 0.000 1.030 246 V CB -1.721 29.912 31.823 -0.317 0.000 0.643 246 V HN 1.083 nan 8.190 nan 0.000 0.445 247 T N -2.214 112.363 114.554 0.040 0.000 2.897 247 T HA -0.243 4.107 4.350 -0.000 0.000 0.271 247 T C 1.760 176.497 174.700 0.061 0.000 1.084 247 T CA 1.589 63.685 62.100 -0.006 0.000 1.123 247 T CB -0.103 68.634 68.868 -0.220 0.000 0.865 247 T HN 0.337 nan 8.240 nan 0.000 0.496 248 K N 1.652 122.083 120.400 0.052 0.000 2.065 248 K HA 0.046 4.365 4.320 -0.000 0.000 0.211 248 K C 2.851 179.485 176.600 0.056 0.000 1.025 248 K CA 1.481 57.791 56.287 0.039 0.000 0.948 248 K CB -0.848 31.663 32.500 0.019 0.000 0.798 248 K HN 0.474 nan 8.250 nan 0.000 0.450 249 S N 1.657 117.373 115.700 0.028 0.000 2.389 249 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 249 S C 1.804 176.354 174.600 -0.083 0.000 1.052 249 S CA 1.481 59.672 58.200 -0.015 0.000 1.053 249 S CB -0.310 62.885 63.200 -0.009 0.000 0.886 249 S HN 0.303 nan 8.310 nan 0.000 0.456 250 K N -0.466 119.882 120.400 -0.087 0.000 2.426 250 K HA 0.260 4.580 4.320 -0.000 0.000 0.193 250 K C 0.810 177.021 176.600 -0.648 0.000 1.028 250 K CA 0.357 56.447 56.287 -0.329 0.000 1.047 250 K CB 0.020 32.343 32.500 -0.296 0.000 0.821 250 K HN 0.485 nan 8.250 nan 0.000 0.513 251 F N -0.067 119.781 119.950 -0.171 0.000 2.549 251 F HA 0.018 4.545 4.527 -0.000 0.000 0.275 251 F C 2.107 177.849 175.800 -0.098 0.000 0.990 251 F CA 0.054 58.011 58.000 -0.072 0.000 1.274 251 F CB 0.045 39.054 39.000 0.016 0.000 1.064 251 F HN -0.076 nan 8.300 nan 0.000 0.715 252 D N 0.859 121.304 120.400 0.075 0.000 2.087 252 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 252 D C 1.464 177.724 176.300 -0.066 0.000 0.980 252 D CA 1.647 55.650 54.000 0.005 0.000 0.849 252 D CB -0.271 40.562 40.800 0.056 0.000 1.001 252 D HN 0.068 nan 8.370 nan 0.000 0.452 253 N N 0.677 119.360 118.700 -0.028 0.000 2.137 253 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 253 N C 1.636 177.062 175.510 -0.141 0.000 1.017 253 N CA 1.051 54.079 53.050 -0.036 0.000 0.859 253 N CB -0.150 38.303 38.487 -0.057 0.000 1.002 253 N HN 0.318 nan 8.380 nan 0.000 0.428 254 K N -0.622 119.620 120.400 -0.264 0.000 2.057 254 K HA 0.014 4.334 4.320 -0.000 0.000 0.209 254 K C 1.362 177.798 176.600 -0.273 0.000 1.028 254 K CA 0.610 56.671 56.287 -0.376 0.000 0.950 254 K CB -0.191 31.901 32.500 -0.681 0.000 0.784 254 K HN 0.010 nan 8.250 nan 0.000 0.448 255 Y N 0.590 120.799 120.300 -0.151 0.000 2.439 255 Y HA 0.069 4.619 4.550 -0.000 0.000 0.292 255 Y C 2.206 178.014 175.900 -0.152 0.000 1.130 255 Y CA 0.821 58.859 58.100 -0.104 0.000 1.254 255 Y CB -0.931 37.509 38.460 -0.034 0.000 1.000 255 Y HN 0.327 nan 8.280 nan 0.000 0.554 256 G N -0.717 107.966 108.800 -0.195 0.000 2.414 256 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 256 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 256 G C 1.775 176.243 174.900 -0.720 0.000 1.188 256 G CA 1.525 46.194 45.100 -0.718 0.000 0.783 256 G HN 0.316 nan 8.290 nan 0.000 0.537 257 T N 0.276 114.540 114.554 -0.482 0.000 2.788 257 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 257 T C 2.285 176.981 174.700 -0.005 0.000 1.044 257 T CA 1.271 63.327 62.100 -0.073 0.000 1.139 257 T CB -0.129 68.733 68.868 -0.011 0.000 0.867 257 T HN 0.337 nan 8.240 nan 0.000 0.454 258 R N 0.040 120.539 120.500 -0.002 0.000 2.105 258 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 258 R C 2.375 178.713 176.300 0.063 0.000 1.135 258 R CA 1.389 57.517 56.100 0.047 0.000 0.967 258 R CB -0.316 30.046 30.300 0.103 0.000 0.861 258 R HN 0.514 nan 8.270 nan 0.000 0.442 259 H N -0.051 119.014 119.070 -0.008 0.000 2.284 259 H HA -0.036 4.520 4.556 -0.000 0.000 0.304 259 H C 1.928 177.281 175.328 0.041 0.000 1.069 259 H CA 2.074 58.131 56.048 0.015 0.000 1.327 259 H CB -0.028 29.744 29.762 0.016 0.000 1.387 259 H HN 0.377 nan 8.280 nan 0.000 0.498 260 S N 0.594 116.445 115.700 0.252 0.000 2.527 260 S HA -0.059 4.411 4.470 -0.000 0.000 0.222 260 S C 2.170 176.840 174.600 0.118 0.000 0.985 260 S CA 0.558 58.903 58.200 0.240 0.000 0.921 260 S CB -0.317 63.099 63.200 0.359 0.000 0.772 260 S HN 0.308 nan 8.310 nan 0.000 0.529 261 L N 2.297 123.567 121.223 0.078 0.000 2.027 261 L HA 0.128 4.468 4.340 -0.000 0.000 0.206 261 L C 2.041 178.923 176.870 0.020 0.000 1.074 261 L CA 1.758 56.624 54.840 0.045 0.000 0.745 261 L CB -0.607 41.468 42.059 0.027 0.000 0.898 261 L HN 0.518 nan 8.230 nan 0.000 0.433 262 I N -3.651 116.916 120.570 -0.005 0.000 2.852 262 I HA 0.036 4.206 4.170 -0.000 0.000 0.264 262 I C 1.967 178.069 176.117 -0.024 0.000 1.179 262 I CA 1.119 62.408 61.300 -0.019 0.000 1.480 262 I CB -0.845 37.136 38.000 -0.032 0.000 1.111 262 I HN 0.128 nan 8.210 nan 0.000 0.441 263 D N 1.911 122.290 120.400 -0.036 0.000 2.108 263 D HA -0.177 4.463 4.640 -0.000 0.000 0.190 263 D C 2.339 178.651 176.300 0.019 0.000 0.995 263 D CA 2.334 56.327 54.000 -0.012 0.000 0.834 263 D CB -0.736 40.078 40.800 0.025 0.000 0.967 263 D HN 0.388 nan 8.370 nan 0.000 0.446 264 G N 0.526 109.347 108.800 0.034 0.000 2.513 264 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.219 264 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.219 264 G C 1.987 176.900 174.900 0.022 0.000 1.160 264 G CA 1.047 46.167 45.100 0.034 0.000 0.767 264 G HN 0.419 nan 8.290 nan 0.000 0.571 265 I N 0.611 121.192 120.570 0.018 0.000 2.353 265 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 265 I C 2.459 178.585 176.117 0.015 0.000 1.119 265 I CA 0.604 61.914 61.300 0.016 0.000 1.417 265 I CB -0.195 37.813 38.000 0.014 0.000 1.078 265 I HN 0.069 nan 8.210 nan 0.000 0.421 266 N N 1.056 119.762 118.700 0.010 0.000 2.142 266 N HA -0.116 4.623 4.740 -0.000 0.000 0.186 266 N C 1.914 177.433 175.510 0.014 0.000 1.023 266 N CA 1.227 54.283 53.050 0.009 0.000 0.852 266 N CB -0.229 38.259 38.487 0.002 0.000 0.998 266 N HN 0.307 nan 8.380 nan 0.000 0.424 267 R N -0.121 120.389 120.500 0.018 0.000 2.073 267 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 267 R C 2.266 178.576 176.300 0.016 0.000 1.120 267 R CA 1.193 57.305 56.100 0.021 0.000 0.967 267 R CB -0.601 29.716 30.300 0.029 0.000 0.862 267 R HN 0.225 nan 8.270 nan 0.000 0.436 268 G N 0.013 108.821 108.800 0.013 0.000 2.422 268 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 268 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 268 G C 1.472 176.380 174.900 0.013 0.000 1.146 268 G CA 1.627 46.731 45.100 0.007 0.000 0.769 268 G HN 0.492 nan 8.290 nan 0.000 0.547 269 T N -4.430 110.136 114.554 0.019 0.000 2.980 269 T HA 0.141 4.491 4.350 -0.000 0.000 0.252 269 T C 0.971 175.687 174.700 0.027 0.000 0.962 269 T CA 1.019 63.135 62.100 0.027 0.000 0.932 269 T CB 0.347 69.235 68.868 0.033 0.000 1.188 269 T HN 0.139 nan 8.240 nan 0.000 0.500 270 D N 1.556 121.968 120.400 0.021 0.000 3.039 270 D HA -0.131 4.509 4.640 -0.000 0.000 0.222 270 D C 0.344 176.657 176.300 0.020 0.000 1.179 270 D CA 0.990 55.001 54.000 0.018 0.000 0.880 270 D CB -1.718 39.093 40.800 0.018 0.000 1.115 270 D HN 0.898 nan 8.370 nan 0.000 0.416 271 A N 0.400 123.234 122.820 0.024 0.000 2.454 271 A HA 0.352 4.672 4.320 -0.000 0.000 0.260 271 A C 0.566 178.161 177.584 0.019 0.000 1.106 271 A CA -0.384 51.668 52.037 0.026 0.000 0.780 271 A CB 0.428 19.449 19.000 0.034 0.000 1.044 271 A HN 0.263 nan 8.150 nan 0.000 0.498 272 L N 3.295 124.528 121.223 0.017 0.000 2.667 272 L HA -0.035 4.304 4.340 -0.000 0.000 0.278 272 L C 0.878 177.757 176.870 0.016 0.000 1.217 272 L CA 0.730 55.578 54.840 0.014 0.000 0.935 272 L CB -0.258 41.809 42.059 0.013 0.000 1.193 272 L HN 0.724 nan 8.230 nan 0.000 0.493 273 I N 3.768 124.346 120.570 0.013 0.000 2.585 273 I HA 0.079 4.249 4.170 -0.000 0.000 0.254 273 I C 1.534 177.661 176.117 0.016 0.000 1.129 273 I CA 0.662 61.970 61.300 0.014 0.000 1.455 273 I CB -0.481 37.525 38.000 0.010 0.000 1.111 273 I HN 0.850 nan 8.210 nan 0.000 0.433 274 G N 0.273 109.082 108.800 0.016 0.000 2.265 274 G HA2 0.277 4.237 3.960 -0.000 0.000 0.240 274 G HA3 0.277 4.237 3.960 -0.000 0.000 0.240 274 G C 1.139 176.050 174.900 0.018 0.000 1.270 274 G CA 0.338 45.449 45.100 0.018 0.000 0.901 274 G HN 0.644 nan 8.290 nan 0.000 0.507 275 G N 1.369 110.182 108.800 0.021 0.000 2.184 275 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.264 275 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.264 275 G C 0.585 175.498 174.900 0.020 0.000 0.975 275 G CA 0.771 45.883 45.100 0.020 0.000 0.642 275 G HN 0.753 nan 8.290 nan 0.000 0.536 276 K N 0.376 120.789 120.400 0.021 0.000 2.098 276 K HA 0.455 4.775 4.320 -0.000 0.000 0.258 276 K C 0.303 176.915 176.600 0.020 0.000 0.973 276 K CA -0.635 55.664 56.287 0.020 0.000 0.898 276 K CB 1.260 33.772 32.500 0.020 0.000 1.057 276 K HN 0.197 nan 8.250 nan 0.000 0.447 277 K N 1.468 121.879 120.400 0.017 0.000 2.276 277 K HA 0.265 4.585 4.320 -0.000 0.000 0.285 277 K C -0.583 176.021 176.600 0.006 0.000 1.062 277 K CA -0.396 55.900 56.287 0.014 0.000 0.918 277 K CB 0.984 33.491 32.500 0.013 0.000 1.055 277 K HN 0.184 nan 8.250 nan 0.000 0.477 278 V N 4.884 124.796 119.914 -0.003 0.000 2.495 278 V HA 0.287 4.406 4.120 -0.000 0.000 0.298 278 V C -0.782 175.290 176.094 -0.037 0.000 1.031 278 V CA -1.014 61.275 62.300 -0.018 0.000 0.871 278 V CB 1.621 33.428 31.823 -0.026 0.000 0.988 278 V HN 0.529 nan 8.190 nan 0.000 0.432 279 L N 6.588 127.789 121.223 -0.037 0.000 2.287 279 L HA 0.613 4.953 4.340 -0.000 0.000 0.287 279 L C -0.674 176.162 176.870 -0.056 0.000 1.022 279 L CA 0.054 54.864 54.840 -0.050 0.000 0.814 279 L CB 1.092 43.125 42.059 -0.044 0.000 1.217 279 L HN 0.391 nan 8.230 nan 0.000 0.420 280 I N 4.721 125.247 120.570 -0.072 0.000 2.354 280 I HA 0.289 4.458 4.170 -0.000 0.000 0.292 280 I C -0.550 175.546 176.117 -0.035 0.000 0.989 280 I CA -0.425 60.840 61.300 -0.057 0.000 1.188 280 I CB 1.191 39.144 38.000 -0.080 0.000 1.342 280 I HN 0.555 nan 8.210 nan 0.000 0.457 281 C N 4.810 124.097 119.300 -0.021 0.000 2.264 281 C HA 0.836 5.296 4.460 -0.000 0.000 0.324 281 C C 0.726 175.722 174.990 0.010 0.000 1.267 281 C CA -0.346 58.664 59.018 -0.015 0.000 1.618 281 C CB 0.004 27.728 27.740 -0.026 0.000 2.278 281 C HN 1.092 nan 8.230 nan 0.000 0.499 282 G N 2.134 110.953 108.800 0.031 0.000 2.675 282 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.686 282 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.686 282 G C -1.203 173.780 174.900 0.137 0.000 1.215 282 G CA -0.583 44.553 45.100 0.061 0.000 0.777 282 G HN 0.829 nan 8.290 nan 0.000 0.638 283 Y N 1.721 122.007 120.300 -0.025 0.000 2.720 283 Y HA 0.504 5.054 4.550 -0.000 0.000 0.264 283 Y C 1.261 177.151 175.900 -0.017 0.000 0.989 283 Y CA 0.519 58.605 58.100 -0.023 0.000 1.100 283 Y CB 0.068 38.526 38.460 -0.004 0.000 1.196 283 Y HN 1.056 nan 8.280 nan 0.000 0.631 284 G N 0.113 108.888 108.800 -0.042 0.000 2.514 284 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.245 284 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.245 284 G C 0.710 175.475 174.900 -0.226 0.000 1.488 284 G CA 0.294 45.331 45.100 -0.104 0.000 1.063 284 G HN 0.276 nan 8.290 nan 0.000 0.557 285 D N -1.062 119.231 120.400 -0.178 0.000 2.123 285 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 285 D C 2.704 178.875 176.300 -0.216 0.000 0.992 285 D CA 0.921 54.787 54.000 -0.223 0.000 0.833 285 D CB -0.286 40.409 40.800 -0.175 0.000 0.954 285 D HN 0.051 nan 8.370 nan 0.000 0.455 286 V N 1.279 121.110 119.914 -0.138 0.000 2.229 286 V HA -0.151 3.969 4.120 -0.000 0.000 0.243 286 V C 2.668 178.694 176.094 -0.113 0.000 1.042 286 V CA 2.149 64.394 62.300 -0.091 0.000 1.000 286 V CB -1.092 30.712 31.823 -0.032 0.000 0.637 286 V HN 0.230 nan 8.190 nan 0.000 0.446 287 G N -0.559 108.173 108.800 -0.112 0.000 2.513 287 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.219 287 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.219 287 G C 1.636 176.404 174.900 -0.222 0.000 1.160 287 G CA 1.425 46.465 45.100 -0.100 0.000 0.767 287 G HN 0.460 nan 8.290 nan 0.000 0.571 288 K N -0.145 119.937 120.400 -0.530 0.000 2.034 288 K HA -0.116 4.203 4.320 -0.000 0.000 0.214 288 K C 2.715 179.173 176.600 -0.238 0.000 1.051 288 K CA 1.596 57.513 56.287 -0.617 0.000 0.931 288 K CB -0.591 31.538 32.500 -0.620 0.000 0.715 288 K HN 0.289 nan 8.250 nan 0.000 0.446 289 G N 0.047 108.731 108.800 -0.194 0.000 2.403 289 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 289 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 289 G C 1.606 176.477 174.900 -0.047 0.000 1.154 289 G CA 0.941 45.983 45.100 -0.097 0.000 0.784 289 G HN 0.362 nan 8.290 nan 0.000 0.538 290 C N 1.089 120.353 119.300 -0.060 0.000 2.393 290 C HA 0.037 4.497 4.460 -0.000 0.000 0.276 290 C C 3.548 178.509 174.990 -0.049 0.000 1.215 290 C CA 1.117 60.111 59.018 -0.040 0.000 1.743 290 C CB -1.056 26.659 27.740 -0.042 0.000 2.044 290 C HN 0.562 nan 8.230 nan 0.000 0.464 291 A N -0.089 122.683 122.820 -0.080 0.000 1.902 291 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 291 A C 2.152 179.739 177.584 0.006 0.000 1.181 291 A CA 1.927 53.863 52.037 -0.168 0.000 0.623 291 A CB -0.734 18.042 19.000 -0.373 0.000 0.818 291 A HN 0.725 nan 8.150 nan 0.000 0.443 292 E N -0.291 119.966 120.200 0.095 0.000 2.110 292 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 292 E C 2.151 178.808 176.600 0.095 0.000 0.988 292 E CA 1.002 57.490 56.400 0.148 0.000 0.804 292 E CB -0.201 29.577 29.700 0.130 0.000 0.745 292 E HN 0.566 nan 8.360 nan 0.000 0.458 293 A N 0.699 123.550 122.820 0.051 0.000 1.897 293 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 293 A C 2.127 179.727 177.584 0.026 0.000 1.181 293 A CA 1.206 53.262 52.037 0.032 0.000 0.620 293 A CB -0.262 18.746 19.000 0.014 0.000 0.821 293 A HN 0.218 nan 8.150 nan 0.000 0.443 294 M N -0.334 119.276 119.600 0.016 0.000 2.099 294 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 294 M C 2.107 178.436 176.300 0.047 0.000 1.067 294 M CA 1.635 56.943 55.300 0.013 0.000 1.124 294 M CB -1.166 31.422 32.600 -0.020 0.000 1.353 294 M HN 0.471 nan 8.290 nan 0.000 0.410 295 K N 0.274 120.729 120.400 0.093 0.000 2.009 295 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 295 K C 1.988 178.646 176.600 0.096 0.000 1.049 295 K CA 1.755 58.132 56.287 0.150 0.000 0.929 295 K CB -0.523 32.148 32.500 0.285 0.000 0.714 295 K HN 0.424 nan 8.250 nan 0.000 0.440 296 G N 0.576 109.425 108.800 0.081 0.000 2.517 296 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.222 296 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.222 296 G C 1.299 176.220 174.900 0.035 0.000 1.109 296 G CA 0.640 45.772 45.100 0.052 0.000 0.746 296 G HN 0.367 nan 8.290 nan 0.000 0.576 297 Q N -0.626 119.194 119.800 0.033 0.000 2.282 297 Q HA 0.219 4.559 4.340 -0.000 0.000 0.206 297 Q C 1.507 177.522 176.000 0.025 0.000 0.878 297 Q CA 0.566 56.382 55.803 0.021 0.000 0.944 297 Q CB 0.806 29.552 28.738 0.013 0.000 1.100 297 Q HN 0.556 nan 8.270 nan 0.000 0.509 298 G N 0.875 109.696 108.800 0.036 0.000 2.132 298 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.228 298 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.228 298 G C 0.291 175.215 174.900 0.039 0.000 1.000 298 G CA 0.149 45.271 45.100 0.036 0.000 0.693 298 G HN 0.509 nan 8.290 nan 0.000 0.515 299 A N -0.212 122.635 122.820 0.045 0.000 2.313 299 A HA 0.763 5.083 4.320 -0.000 0.000 0.261 299 A C 0.805 178.427 177.584 0.064 0.000 1.090 299 A CA -0.163 51.900 52.037 0.043 0.000 0.807 299 A CB 0.379 19.397 19.000 0.030 0.000 1.055 299 A HN 0.520 nan 8.150 nan 0.000 0.492 300 R N 0.796 121.329 120.500 0.055 0.000 2.280 300 R HA 0.409 4.749 4.340 -0.000 0.000 0.326 300 R C -1.389 174.950 176.300 0.065 0.000 1.080 300 R CA -0.351 55.791 56.100 0.070 0.000 1.002 300 R CB 0.831 31.159 30.300 0.046 0.000 1.136 300 R HN 0.376 nan 8.270 nan 0.000 0.509 301 V N 2.417 122.396 119.914 0.109 0.000 2.439 301 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 301 V C 0.181 176.300 176.094 0.040 0.000 1.039 301 V CA -0.272 62.030 62.300 0.004 0.000 0.913 301 V CB 1.737 33.445 31.823 -0.193 0.000 0.983 301 V HN 0.704 nan 8.190 nan 0.000 0.460 302 S N 3.054 118.733 115.700 -0.035 0.000 2.648 302 S HA 0.831 5.301 4.470 -0.000 0.000 0.305 302 S C -0.637 173.903 174.600 -0.100 0.000 1.094 302 S CA -0.613 57.574 58.200 -0.022 0.000 0.983 302 S CB 2.250 65.446 63.200 -0.006 0.000 1.101 302 S HN 0.434 nan 8.310 nan 0.000 0.514 303 V N 1.388 121.253 119.914 -0.082 0.000 2.962 303 V HA 0.760 4.880 4.120 -0.000 0.000 0.313 303 V C -0.165 175.893 176.094 -0.060 0.000 1.099 303 V CA -0.710 61.530 62.300 -0.099 0.000 0.971 303 V CB 2.350 34.069 31.823 -0.173 0.000 1.028 303 V HN 1.051 nan 8.190 nan 0.000 0.430 304 T N 0.421 114.950 114.554 -0.040 0.000 2.856 304 T HA 0.829 5.179 4.350 -0.000 0.000 0.283 304 T C -0.941 173.755 174.700 -0.007 0.000 1.008 304 T CA -0.520 61.562 62.100 -0.031 0.000 0.997 304 T CB 2.163 71.006 68.868 -0.042 0.000 0.992 304 T HN 0.611 nan 8.240 nan 0.000 0.454 305 E N 1.417 121.613 120.200 -0.006 0.000 2.412 305 E HA 0.373 4.723 4.350 -0.000 0.000 0.279 305 E C 0.057 176.660 176.600 0.006 0.000 0.984 305 E CA -0.561 55.847 56.400 0.013 0.000 0.788 305 E CB 2.010 31.726 29.700 0.027 0.000 1.277 305 E HN 0.779 nan 8.360 nan 0.000 0.455 306 I N -2.433 118.145 120.570 0.012 0.000 4.181 306 I HA 0.357 4.527 4.170 -0.000 0.000 0.331 306 I C 0.467 176.590 176.117 0.009 0.000 1.312 306 I CA 0.038 61.343 61.300 0.007 0.000 1.146 306 I CB 0.551 38.555 38.000 0.007 0.000 1.074 306 I HN 0.073 nan 8.210 nan 0.000 0.402 307 D N 3.172 123.583 120.400 0.018 0.000 2.329 307 D HA 0.272 4.912 4.640 -0.000 0.000 0.232 307 D C -1.615 174.697 176.300 0.019 0.000 1.088 307 D CA -2.208 51.803 54.000 0.020 0.000 0.835 307 D CB 2.211 43.027 40.800 0.028 0.000 1.078 307 D HN -0.034 nan 8.370 nan 0.000 0.495 308 P HA -0.148 nan 4.420 nan 0.000 0.215 308 P C 1.878 179.186 177.300 0.012 0.000 1.153 308 P CA 0.881 63.984 63.100 0.006 0.000 0.853 308 P CB 0.555 32.256 31.700 0.001 0.000 0.788 309 I N 0.410 120.991 120.570 0.018 0.000 2.127 309 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 309 I C 2.359 178.507 176.117 0.052 0.000 1.075 309 I CA 1.656 62.972 61.300 0.026 0.000 1.334 309 I CB -1.065 36.948 38.000 0.022 0.000 1.040 309 I HN -0.014 nan 8.210 nan 0.000 0.405 310 N N 1.115 119.861 118.700 0.076 0.000 2.289 310 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 310 N C 1.916 177.495 175.510 0.115 0.000 1.016 310 N CA 1.397 54.541 53.050 0.156 0.000 0.872 310 N CB -0.081 38.513 38.487 0.177 0.000 0.973 310 N HN 0.392 nan 8.380 nan 0.000 0.433 311 A N 1.314 124.154 122.820 0.034 0.000 1.929 311 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 311 A C 2.210 179.763 177.584 -0.051 0.000 1.176 311 A CA 0.620 52.639 52.037 -0.030 0.000 0.628 311 A CB -0.476 18.512 19.000 -0.019 0.000 0.816 311 A HN 0.133 nan 8.150 nan 0.000 0.444 312 L N -0.001 121.213 121.223 -0.015 0.000 2.017 312 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 312 L C 2.515 179.376 176.870 -0.014 0.000 1.073 312 L CA 2.159 56.989 54.840 -0.017 0.000 0.745 312 L CB -0.796 41.261 42.059 -0.004 0.000 0.894 312 L HN 0.487 nan 8.230 nan 0.000 0.432 313 Q N -0.978 118.842 119.800 0.033 0.000 2.112 313 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 313 Q C 2.199 178.217 176.000 0.029 0.000 0.987 313 Q CA 1.840 57.700 55.803 0.095 0.000 0.858 313 Q CB -0.370 28.506 28.738 0.231 0.000 0.905 313 Q HN 0.693 nan 8.270 nan 0.000 0.420 314 A N 0.653 123.344 122.820 -0.216 0.000 1.877 314 A HA -0.180 4.139 4.320 -0.000 0.000 0.216 314 A C 2.034 179.503 177.584 -0.191 0.000 1.186 314 A CA 1.441 53.161 52.037 -0.528 0.000 0.620 314 A CB -0.441 18.105 19.000 -0.756 0.000 0.822 314 A HN 0.291 nan 8.150 nan 0.000 0.443 315 M N -1.173 118.346 119.600 -0.135 0.000 2.200 315 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 315 M C 1.892 178.116 176.300 -0.127 0.000 1.066 315 M CA 0.985 56.220 55.300 -0.108 0.000 1.127 315 M CB -0.448 32.110 32.600 -0.070 0.000 1.379 315 M HN 0.276 nan 8.290 nan 0.000 0.420 316 M N 0.127 119.671 119.600 -0.093 0.000 2.530 316 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 316 M C 1.106 177.335 176.300 -0.118 0.000 1.067 316 M CA 1.264 56.516 55.300 -0.080 0.000 1.071 316 M CB -1.061 31.519 32.600 -0.034 0.000 1.405 316 M HN 0.168 nan 8.290 nan 0.000 0.478 317 E N -0.619 119.465 120.200 -0.192 0.000 2.481 317 E HA 0.288 4.638 4.350 -0.000 0.000 0.198 317 E C 1.259 177.428 176.600 -0.717 0.000 1.027 317 E CA 0.459 56.676 56.400 -0.305 0.000 0.900 317 E CB 0.334 29.985 29.700 -0.082 0.000 0.993 317 E HN 0.584 nan 8.360 nan 0.000 0.482 318 G N 1.187 109.632 108.800 -0.592 0.000 2.144 318 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 318 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 318 G C -0.235 174.321 174.900 -0.573 0.000 0.988 318 G CA -0.379 44.376 45.100 -0.575 0.000 0.659 318 G HN 0.102 nan 8.290 nan 0.000 0.522 319 F N 1.884 121.786 119.950 -0.080 0.000 2.444 319 F HA 0.511 5.038 4.527 -0.000 0.000 0.342 319 F C 0.308 176.049 175.800 -0.098 0.000 1.121 319 F CA -2.072 55.873 58.000 -0.092 0.000 0.997 319 F CB 1.081 39.998 39.000 -0.139 0.000 1.130 319 F HN -0.128 nan 8.300 nan 0.000 0.454 320 D N 1.751 122.216 120.400 0.108 0.000 2.506 320 D HA 0.080 4.720 4.640 -0.000 0.000 0.234 320 D C -0.251 176.061 176.300 0.020 0.000 1.143 320 D CA 0.384 54.406 54.000 0.037 0.000 0.871 320 D CB 1.261 42.076 40.800 0.025 0.000 1.190 320 D HN 0.151 nan 8.370 nan 0.000 0.459 321 V N 3.268 123.175 119.914 -0.011 0.000 2.294 321 V HA 0.226 4.346 4.120 -0.000 0.000 0.272 321 V C 0.386 176.465 176.094 -0.024 0.000 1.027 321 V CA -0.497 61.785 62.300 -0.030 0.000 0.823 321 V CB 1.102 32.899 31.823 -0.044 0.000 1.030 321 V HN 0.383 nan 8.190 nan 0.000 0.457 322 V N 2.476 122.374 119.914 -0.027 0.000 3.103 322 V HA 0.855 4.974 4.120 -0.000 0.000 0.318 322 V C 0.229 176.303 176.094 -0.034 0.000 1.114 322 V CA -0.582 61.702 62.300 -0.026 0.000 1.020 322 V CB 2.016 33.825 31.823 -0.024 0.000 1.085 322 V HN 0.744 nan 8.190 nan 0.000 0.446 323 T N -1.244 113.290 114.554 -0.034 0.000 2.922 323 T HA 0.477 4.827 4.350 -0.000 0.000 0.285 323 T C 1.009 175.666 174.700 -0.073 0.000 1.005 323 T CA 0.004 62.076 62.100 -0.046 0.000 1.061 323 T CB 1.459 70.309 68.868 -0.030 0.000 1.007 323 T HN 0.650 nan 8.240 nan 0.000 0.502 324 V N 1.776 121.617 119.914 -0.122 0.000 2.287 324 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 324 V C 2.743 178.730 176.094 -0.178 0.000 1.053 324 V CA 2.138 64.310 62.300 -0.214 0.000 1.027 324 V CB -1.051 30.516 31.823 -0.427 0.000 0.646 324 V HN 0.909 nan 8.190 nan 0.000 0.447 325 E N 0.377 120.514 120.200 -0.106 0.000 2.085 325 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 325 E C 2.211 178.812 176.600 0.003 0.000 0.994 325 E CA 1.718 58.126 56.400 0.012 0.000 0.801 325 E CB -0.268 29.467 29.700 0.059 0.000 0.743 325 E HN 0.912 nan 8.360 nan 0.000 0.453 326 E N -0.320 119.870 120.200 -0.016 0.000 2.158 326 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 326 E C 1.734 178.325 176.600 -0.015 0.000 0.982 326 E CA 1.013 57.406 56.400 -0.011 0.000 0.823 326 E CB -0.028 29.665 29.700 -0.012 0.000 0.766 326 E HN 0.173 nan 8.360 nan 0.000 0.468 327 A N 0.688 123.491 122.820 -0.029 0.000 2.220 327 A HA 0.249 4.569 4.320 -0.000 0.000 0.211 327 A C 1.994 179.562 177.584 -0.027 0.000 1.176 327 A CA -0.219 51.802 52.037 -0.026 0.000 0.834 327 A CB -0.269 18.713 19.000 -0.031 0.000 0.868 327 A HN 0.314 nan 8.150 nan 0.000 0.488 328 I N -0.079 120.470 120.570 -0.035 0.000 2.493 328 I HA -0.125 4.045 4.170 -0.000 0.000 0.254 328 I C 2.257 178.370 176.117 -0.005 0.000 1.160 328 I CA 1.148 62.430 61.300 -0.030 0.000 1.445 328 I CB 0.002 37.972 38.000 -0.050 0.000 1.086 328 I HN 0.354 nan 8.210 nan 0.000 0.433 329 G N -0.447 108.353 108.800 0.000 0.000 2.535 329 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 329 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 329 G C 1.180 176.084 174.900 0.007 0.000 1.122 329 G CA 0.867 45.970 45.100 0.004 0.000 0.769 329 G HN 0.390 nan 8.290 nan 0.000 0.549 330 D N -0.234 120.169 120.400 0.004 0.000 2.454 330 D HA 0.220 4.860 4.640 -0.000 0.000 0.214 330 D C 1.361 177.666 176.300 0.009 0.000 1.088 330 D CA 0.050 54.054 54.000 0.007 0.000 0.855 330 D CB 0.643 41.445 40.800 0.004 0.000 1.025 330 D HN 0.250 nan 8.370 nan 0.000 0.502 331 A N 1.233 124.056 122.820 0.005 0.000 2.440 331 A HA 0.086 4.406 4.320 -0.000 0.000 0.251 331 A C 0.812 178.406 177.584 0.017 0.000 1.089 331 A CA 0.076 52.116 52.037 0.005 0.000 0.779 331 A CB 0.610 19.607 19.000 -0.005 0.000 1.022 331 A HN -0.102 nan 8.150 nan 0.000 0.492 332 D N 0.898 121.310 120.400 0.019 0.000 2.301 332 D HA 0.180 4.820 4.640 -0.000 0.000 0.206 332 D C 0.060 176.378 176.300 0.030 0.000 0.979 332 D CA 1.297 55.315 54.000 0.030 0.000 0.874 332 D CB 0.290 41.107 40.800 0.028 0.000 0.968 332 D HN 0.554 nan 8.370 nan 0.000 0.510 333 I N 0.790 121.371 120.570 0.018 0.000 2.644 333 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 333 I C -1.159 174.960 176.117 0.003 0.000 1.180 333 I CA -0.730 60.579 61.300 0.015 0.000 1.040 333 I CB 3.103 41.111 38.000 0.013 0.000 1.255 333 I HN -0.417 nan 8.210 nan 0.000 0.422 334 V N 6.453 126.369 119.914 0.004 0.000 2.540 334 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 334 V C -0.446 175.646 176.094 -0.004 0.000 1.035 334 V CA -0.687 61.609 62.300 -0.007 0.000 0.873 334 V CB 2.338 34.156 31.823 -0.009 0.000 0.992 334 V HN 0.422 nan 8.190 nan 0.000 0.428 335 V N 3.267 123.174 119.914 -0.012 0.000 2.638 335 V HA 0.602 4.721 4.120 -0.000 0.000 0.306 335 V C 0.053 176.143 176.094 -0.007 0.000 1.052 335 V CA -0.528 61.770 62.300 -0.004 0.000 0.885 335 V CB 2.528 34.347 31.823 -0.006 0.000 0.999 335 V HN 1.007 nan 8.190 nan 0.000 0.424 336 T N 1.071 115.627 114.554 0.003 0.000 2.829 336 T HA 0.786 5.136 4.350 -0.000 0.000 0.282 336 T C 0.096 174.803 174.700 0.013 0.000 0.990 336 T CA -0.050 62.053 62.100 0.005 0.000 1.028 336 T CB 1.868 70.743 68.868 0.012 0.000 0.951 336 T HN 1.157 nan 8.240 nan 0.000 0.460 337 A N 2.117 124.944 122.820 0.012 0.000 2.709 337 A HA 0.435 4.755 4.320 -0.000 0.000 0.241 337 A C 1.344 178.938 177.584 0.017 0.000 0.879 337 A CA 0.117 52.162 52.037 0.013 0.000 1.120 337 A CB -0.304 18.697 19.000 0.001 0.000 1.226 337 A HN 0.993 nan 8.150 nan 0.000 0.468 338 T N -4.275 110.293 114.554 0.024 0.000 3.039 338 T HA 0.383 4.733 4.350 -0.000 0.000 0.250 338 T C 1.554 176.275 174.700 0.035 0.000 1.052 338 T CA 1.123 63.239 62.100 0.027 0.000 1.125 338 T CB -0.123 68.759 68.868 0.024 0.000 0.908 338 T HN 1.867 nan 8.240 nan 0.000 0.473 339 G N 1.648 110.476 108.800 0.047 0.000 2.198 339 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.257 339 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.257 339 G C -0.210 174.732 174.900 0.069 0.000 1.042 339 G CA 0.135 45.275 45.100 0.067 0.000 0.791 339 G HN 0.824 nan 8.290 nan 0.000 0.502 340 N N -0.160 118.574 118.700 0.057 0.000 2.284 340 N HA 0.516 5.256 4.740 -0.000 0.000 0.289 340 N C -0.012 175.520 175.510 0.037 0.000 1.179 340 N CA -0.663 52.412 53.050 0.041 0.000 0.774 340 N CB 1.254 39.757 38.487 0.026 0.000 1.548 340 N HN 0.456 nan 8.380 nan 0.000 0.473 341 K N 0.415 120.828 120.400 0.020 0.000 2.107 341 K HA 0.332 4.652 4.320 -0.000 0.000 0.251 341 K C -0.961 175.645 176.600 0.011 0.000 1.012 341 K CA -0.207 56.087 56.287 0.010 0.000 0.920 341 K CB 0.444 32.934 32.500 -0.016 0.000 1.033 341 K HN 0.489 nan 8.250 nan 0.000 0.478 342 D N 0.779 121.187 120.400 0.012 0.000 2.705 342 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 342 D C 0.700 177.024 176.300 0.040 0.000 1.137 342 D CA 0.519 54.532 54.000 0.022 0.000 0.677 342 D CB -0.809 39.996 40.800 0.009 0.000 1.049 342 D HN 0.501 nan 8.370 nan 0.000 0.427 343 I N -0.816 119.775 120.570 0.036 0.000 2.385 343 I HA -0.022 4.148 4.170 -0.000 0.000 0.244 343 I C 1.345 177.486 176.117 0.039 0.000 1.089 343 I CA 0.761 62.074 61.300 0.022 0.000 1.410 343 I CB -0.041 37.961 38.000 0.002 0.000 1.117 343 I HN 0.109 nan 8.210 nan 0.000 0.429 344 I N 3.382 123.994 120.570 0.069 0.000 2.405 344 I HA 0.271 4.441 4.170 -0.000 0.000 0.280 344 I C 0.090 176.315 176.117 0.179 0.000 1.027 344 I CA -0.335 61.047 61.300 0.136 0.000 1.161 344 I CB 1.052 39.077 38.000 0.041 0.000 1.300 344 I HN 0.002 nan 8.210 nan 0.000 0.463 345 M N 4.342 124.118 119.600 0.292 0.000 2.219 345 M HA 0.215 4.695 4.480 -0.000 0.000 0.280 345 M C 1.339 177.609 176.300 -0.050 0.000 1.189 345 M CA -0.682 54.628 55.300 0.017 0.000 1.010 345 M CB 0.582 33.116 32.600 -0.111 0.000 1.422 345 M HN 0.402 nan 8.290 nan 0.000 0.504 346 L N 1.173 122.347 121.223 -0.082 0.000 2.046 346 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 346 L C 2.153 178.946 176.870 -0.129 0.000 1.077 346 L CA 1.978 56.778 54.840 -0.066 0.000 0.747 346 L CB -0.718 41.319 42.059 -0.036 0.000 0.896 346 L HN 0.778 nan 8.230 nan 0.000 0.432 347 E N -1.062 119.018 120.200 -0.200 0.000 2.085 347 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 347 E C 2.056 178.538 176.600 -0.197 0.000 0.994 347 E CA 1.859 58.116 56.400 -0.237 0.000 0.801 347 E CB -0.174 29.362 29.700 -0.272 0.000 0.743 347 E HN 0.744 nan 8.360 nan 0.000 0.453 348 H N -0.121 118.904 119.070 -0.075 0.000 2.353 348 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 348 H C 2.240 177.522 175.328 -0.076 0.000 1.090 348 H CA 1.416 57.425 56.048 -0.066 0.000 1.327 348 H CB 0.003 29.738 29.762 -0.045 0.000 1.383 348 H HN 0.203 nan 8.280 nan 0.000 0.508 349 I N 0.805 121.399 120.570 0.040 0.000 2.315 349 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 349 I C 2.049 178.084 176.117 -0.136 0.000 1.117 349 I CA 1.138 62.443 61.300 0.008 0.000 1.404 349 I CB -0.239 37.794 38.000 0.055 0.000 1.071 349 I HN 0.186 nan 8.210 nan 0.000 0.419 350 K N 1.226 121.428 120.400 -0.330 0.000 2.147 350 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 350 K C 2.181 178.592 176.600 -0.314 0.000 1.049 350 K CA 1.358 57.274 56.287 -0.619 0.000 0.936 350 K CB -0.148 32.005 32.500 -0.578 0.000 0.722 350 K HN 0.322 nan 8.250 nan 0.000 0.446 351 A N 1.101 123.830 122.820 -0.153 0.000 2.119 351 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 351 A C 1.069 178.631 177.584 -0.037 0.000 1.153 351 A CA 0.412 52.408 52.037 -0.069 0.000 0.692 351 A CB -0.281 18.715 19.000 -0.007 0.000 0.799 351 A HN 0.168 nan 8.150 nan 0.000 0.458 352 M N 1.200 120.784 119.600 -0.028 0.000 2.245 352 M HA 0.145 4.625 4.480 -0.000 0.000 0.344 352 M C 0.582 176.895 176.300 0.022 0.000 1.170 352 M CA -0.093 55.213 55.300 0.010 0.000 1.135 352 M CB 0.576 33.195 32.600 0.032 0.000 1.574 352 M HN 0.394 nan 8.290 nan 0.000 0.452 353 K N 1.131 121.552 120.400 0.035 0.000 2.234 353 K HA 0.086 4.406 4.320 -0.000 0.000 0.251 353 K C -0.576 176.075 176.600 0.085 0.000 1.011 353 K CA -0.551 55.767 56.287 0.051 0.000 0.889 353 K CB 0.366 32.895 32.500 0.048 0.000 1.011 353 K HN 0.541 nan 8.250 nan 0.000 0.505 354 D N -0.053 120.413 120.400 0.109 0.000 2.351 354 D HA 0.023 4.663 4.640 -0.000 0.000 0.251 354 D C -0.266 176.181 176.300 0.246 0.000 1.137 354 D CA 0.262 54.363 54.000 0.167 0.000 0.879 354 D CB 0.193 41.098 40.800 0.176 0.000 1.181 354 D HN 0.778 nan 8.370 nan 0.000 0.448 355 H N 0.359 119.473 119.070 0.073 0.000 3.211 355 H HA -0.206 4.350 4.556 -0.000 0.000 0.240 355 H C 0.011 175.371 175.328 0.054 0.000 1.148 355 H CA 0.568 56.653 56.048 0.061 0.000 1.160 355 H CB -1.556 28.233 29.762 0.046 0.000 1.232 355 H HN 0.529 nan 8.280 nan 0.000 0.321 356 A N 0.874 123.766 122.820 0.120 0.000 2.406 356 A HA 0.499 4.819 4.320 -0.000 0.000 0.243 356 A C 0.690 178.312 177.584 0.064 0.000 1.082 356 A CA 0.121 52.207 52.037 0.081 0.000 0.786 356 A CB 0.497 19.535 19.000 0.063 0.000 1.029 356 A HN 0.284 nan 8.150 nan 0.000 0.495 357 I N 0.301 120.903 120.570 0.053 0.000 2.493 357 I HA 0.487 4.657 4.170 -0.000 0.000 0.298 357 I C -0.614 175.526 176.117 0.038 0.000 0.998 357 I CA -0.518 60.810 61.300 0.046 0.000 1.137 357 I CB 1.825 39.851 38.000 0.042 0.000 1.310 357 I HN 0.610 nan 8.210 nan 0.000 0.445 358 L N 5.440 126.687 121.223 0.040 0.000 2.410 358 L HA 0.968 5.308 4.340 -0.000 0.000 0.270 358 L C -0.677 176.213 176.870 0.032 0.000 0.983 358 L CA 0.183 55.042 54.840 0.031 0.000 0.822 358 L CB 1.944 44.021 42.059 0.030 0.000 1.285 358 L HN 0.628 nan 8.230 nan 0.000 0.409 359 G N 2.313 111.128 108.800 0.026 0.000 2.718 359 G HA2 0.381 4.341 3.960 -0.000 0.000 0.295 359 G HA3 0.381 4.341 3.960 -0.000 0.000 0.295 359 G C -2.074 172.843 174.900 0.029 0.000 1.421 359 G CA -0.807 44.312 45.100 0.031 0.000 0.902 359 G HN 0.752 nan 8.290 nan 0.000 0.501 360 N N 0.060 118.782 118.700 0.038 0.000 2.399 360 N HA 0.501 5.241 4.740 -0.000 0.000 0.295 360 N C 0.068 175.603 175.510 0.042 0.000 1.048 360 N CA -0.772 52.301 53.050 0.039 0.000 0.886 360 N CB 1.763 40.278 38.487 0.046 0.000 1.185 360 N HN 0.356 nan 8.380 nan 0.000 0.487 361 I N 1.762 122.354 120.570 0.037 0.000 4.147 361 I HA 0.425 4.595 4.170 -0.000 0.000 0.329 361 I C 1.100 177.241 176.117 0.041 0.000 1.424 361 I CA -0.348 60.975 61.300 0.039 0.000 1.127 361 I CB -0.182 37.841 38.000 0.038 0.000 1.128 361 I HN 0.676 nan 8.210 nan 0.000 0.417 362 G N 0.341 109.167 108.800 0.042 0.000 2.326 362 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 362 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 362 G C 0.703 175.645 174.900 0.071 0.000 1.559 362 G CA 1.141 46.270 45.100 0.050 0.000 1.031 362 G HN 0.501 nan 8.290 nan 0.000 0.498 363 H N -2.259 116.760 119.070 -0.085 0.000 2.521 363 H HA 0.380 4.935 4.556 -0.000 0.000 0.267 363 H C 0.073 175.219 175.328 -0.303 0.000 0.963 363 H CA -0.415 55.495 56.048 -0.230 0.000 1.175 363 H CB 0.257 29.805 29.762 -0.356 0.000 1.450 363 H HN 0.210 nan 8.280 nan 0.000 0.472 364 F N 0.960 120.797 119.950 -0.188 0.000 2.457 364 F HA 0.204 4.731 4.527 -0.000 0.000 0.330 364 F C 1.281 177.024 175.800 -0.095 0.000 1.069 364 F CA -0.495 57.373 58.000 -0.220 0.000 1.009 364 F CB 1.168 40.065 39.000 -0.172 0.000 1.276 364 F HN 0.286 nan 8.300 nan 0.000 0.492 365 D N -1.618 118.872 120.400 0.149 0.000 2.355 365 D HA -0.100 4.540 4.640 -0.000 0.000 0.218 365 D C 0.849 177.185 176.300 0.060 0.000 1.004 365 D CA 0.476 54.526 54.000 0.084 0.000 0.880 365 D CB -0.515 40.328 40.800 0.072 0.000 0.911 365 D HN 0.388 nan 8.370 nan 0.000 0.528 366 N N 1.084 119.818 118.700 0.057 0.000 2.515 366 N HA -0.116 4.624 4.740 -0.000 0.000 0.191 366 N C 0.801 176.328 175.510 0.029 0.000 1.182 366 N CA 0.255 53.319 53.050 0.024 0.000 0.879 366 N CB -0.218 38.264 38.487 -0.008 0.000 0.984 366 N HN 0.385 nan 8.380 nan 0.000 0.453 367 E N 0.371 120.598 120.200 0.044 0.000 2.107 367 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 367 E C 0.514 177.130 176.600 0.027 0.000 0.982 367 E CA 0.562 56.983 56.400 0.036 0.000 0.809 367 E CB 0.314 30.038 29.700 0.040 0.000 0.756 367 E HN 0.434 nan 8.360 nan 0.000 0.459 368 I N 1.967 122.552 120.570 0.025 0.000 2.532 368 I HA 0.030 4.200 4.170 -0.000 0.000 0.292 368 I C 0.217 176.335 176.117 0.001 0.000 1.014 368 I CA -0.398 60.910 61.300 0.013 0.000 1.340 368 I CB 0.833 38.838 38.000 0.008 0.000 1.422 368 I HN -0.132 nan 8.210 nan 0.000 0.528 369 D N 5.543 125.937 120.400 -0.010 0.000 2.619 369 D HA 0.104 4.744 4.640 -0.000 0.000 0.224 369 D C 0.949 177.211 176.300 -0.064 0.000 1.133 369 D CA -0.189 53.795 54.000 -0.027 0.000 1.017 369 D CB 0.504 41.291 40.800 -0.022 0.000 1.077 369 D HN 0.274 nan 8.370 nan 0.000 0.503 370 M N 1.175 120.742 119.600 -0.055 0.000 2.254 370 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 370 M C 2.024 178.282 176.300 -0.069 0.000 1.066 370 M CA 0.632 55.882 55.300 -0.083 0.000 1.123 370 M CB -1.186 31.407 32.600 -0.012 0.000 1.388 370 M HN 0.423 nan 8.290 nan 0.000 0.425 371 A N 0.719 123.521 122.820 -0.030 0.000 1.852 371 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 371 A C 2.416 179.982 177.584 -0.030 0.000 1.215 371 A CA 2.499 54.528 52.037 -0.013 0.000 0.641 371 A CB -1.696 17.300 19.000 -0.007 0.000 0.838 371 A HN 0.480 nan 8.150 nan 0.000 0.450 372 G N -0.674 108.102 108.800 -0.040 0.000 2.469 372 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 372 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 372 G C 1.495 176.358 174.900 -0.061 0.000 1.136 372 G CA 1.406 46.483 45.100 -0.038 0.000 0.759 372 G HN 0.631 nan 8.290 nan 0.000 0.562 373 L N 0.347 121.483 121.223 -0.144 0.000 2.109 373 L HA 0.126 4.466 4.340 -0.000 0.000 0.207 373 L C 2.499 179.147 176.870 -0.370 0.000 1.086 373 L CA 1.926 56.584 54.840 -0.304 0.000 0.760 373 L CB -0.434 41.305 42.059 -0.534 0.000 0.910 373 L HN 0.354 nan 8.230 nan 0.000 0.437 374 E N -0.655 119.427 120.200 -0.195 0.000 2.152 374 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 374 E C 1.993 178.655 176.600 0.103 0.000 0.983 374 E CA 0.693 57.136 56.400 0.071 0.000 0.818 374 E CB -0.045 29.751 29.700 0.160 0.000 0.758 374 E HN 0.466 nan 8.360 nan 0.000 0.467 375 R N 0.644 121.169 120.500 0.041 0.000 2.310 375 R HA 0.030 4.370 4.340 -0.000 0.000 0.202 375 R C 2.291 178.621 176.300 0.049 0.000 0.933 375 R CA 0.685 56.814 56.100 0.047 0.000 1.054 375 R CB 0.089 30.407 30.300 0.030 0.000 0.985 375 R HN 0.094 nan 8.270 nan 0.000 0.489 376 S N -0.400 115.329 115.700 0.048 0.000 2.447 376 S HA -0.036 4.433 4.470 -0.000 0.000 0.233 376 S C 1.610 176.272 174.600 0.103 0.000 1.006 376 S CA 1.026 59.278 58.200 0.086 0.000 0.957 376 S CB 0.089 63.370 63.200 0.135 0.000 0.773 376 S HN 0.481 nan 8.310 nan 0.000 0.507 377 G N 0.694 109.550 108.800 0.093 0.000 2.176 377 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.253 377 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.253 377 G C 0.327 175.270 174.900 0.071 0.000 0.979 377 G CA 0.121 45.272 45.100 0.085 0.000 0.641 377 G HN 1.410 nan 8.290 nan 0.000 0.530 378 A N 0.562 123.406 122.820 0.040 0.000 2.520 378 A HA 0.578 4.898 4.320 -0.000 0.000 0.235 378 A C 0.997 178.615 177.584 0.058 0.000 1.065 378 A CA 1.475 53.452 52.037 -0.099 0.000 0.764 378 A CB 0.109 18.829 19.000 -0.468 0.000 1.002 378 A HN 1.832 nan 8.150 nan 0.000 0.502 379 T N 0.291 114.819 114.554 -0.042 0.000 2.829 379 T HA 0.572 4.922 4.350 -0.000 0.000 0.282 379 T C -0.162 174.375 174.700 -0.272 0.000 0.990 379 T CA -0.744 61.291 62.100 -0.108 0.000 1.028 379 T CB 1.023 69.840 68.868 -0.085 0.000 0.951 379 T HN 0.719 nan 8.240 nan 0.000 0.460 380 R N 2.659 122.854 120.500 -0.509 0.000 2.255 380 R HA 0.558 4.898 4.340 -0.000 0.000 0.326 380 R C -1.272 174.748 176.300 -0.467 0.000 0.986 380 R CA -0.629 54.959 56.100 -0.854 0.000 0.847 380 R CB 0.810 30.335 30.300 -1.291 0.000 1.111 380 R HN 0.628 nan 8.270 nan 0.000 0.452 381 V N 5.020 124.707 119.914 -0.379 0.000 2.427 381 V HA 0.182 4.302 4.120 -0.000 0.000 0.286 381 V C 0.391 176.338 176.094 -0.245 0.000 1.034 381 V CA -0.969 61.185 62.300 -0.242 0.000 0.893 381 V CB 1.369 33.100 31.823 -0.152 0.000 0.982 381 V HN 0.766 nan 8.190 nan 0.000 0.452 382 N N 3.209 121.799 118.700 -0.184 0.000 2.497 382 N HA 0.149 4.889 4.740 -0.000 0.000 0.271 382 N C 0.528 175.985 175.510 -0.089 0.000 1.142 382 N CA -0.126 52.844 53.050 -0.134 0.000 0.965 382 N CB 1.973 40.402 38.487 -0.097 0.000 1.077 382 N HN 0.410 nan 8.380 nan 0.000 0.462 383 V N 3.912 123.783 119.914 -0.072 0.000 2.492 383 V HA 0.040 4.160 4.120 -0.000 0.000 0.241 383 V C 0.663 176.739 176.094 -0.030 0.000 1.041 383 V CA 1.188 63.463 62.300 -0.042 0.000 1.057 383 V CB -0.364 31.442 31.823 -0.029 0.000 0.711 383 V HN 0.835 nan 8.190 nan 0.000 0.468 384 K N -0.994 119.386 120.400 -0.034 0.000 2.670 384 K HA 0.408 4.728 4.320 -0.000 0.000 0.289 384 K C -3.357 173.220 176.600 -0.038 0.000 1.045 384 K CA -1.796 54.476 56.287 -0.024 0.000 0.834 384 K CB 0.714 33.207 32.500 -0.012 0.000 1.531 384 K HN -0.197 nan 8.250 nan 0.000 0.376 385 P HA 0.087 nan 4.420 nan 0.000 0.267 385 P C -0.955 176.269 177.300 -0.126 0.000 1.205 385 P CA 0.586 63.651 63.100 -0.058 0.000 0.765 385 P CB 0.593 32.285 31.700 -0.014 0.000 0.828 386 Q N -0.836 118.826 119.800 -0.230 0.000 2.424 386 Q HA -0.128 4.212 4.340 -0.000 0.000 0.234 386 Q C -0.744 175.160 176.000 -0.161 0.000 0.748 386 Q CA 0.968 56.569 55.803 -0.336 0.000 1.286 386 Q CB -2.109 26.399 28.738 -0.384 0.000 1.494 386 Q HN 0.270 nan 8.270 nan 0.000 0.683 387 V N 1.170 121.025 119.914 -0.098 0.000 2.447 387 V HA 0.490 4.610 4.120 -0.000 0.000 0.292 387 V C -0.446 175.619 176.094 -0.049 0.000 1.021 387 V CA -0.799 61.473 62.300 -0.046 0.000 0.850 387 V CB 1.982 33.786 31.823 -0.031 0.000 1.005 387 V HN 0.065 nan 8.190 nan 0.000 0.426 388 D N 3.804 124.192 120.400 -0.020 0.000 2.481 388 D HA 0.475 5.114 4.640 -0.000 0.000 0.244 388 D C -0.805 175.460 176.300 -0.058 0.000 1.057 388 D CA -0.506 53.439 54.000 -0.091 0.000 0.848 388 D CB 3.165 43.897 40.800 -0.114 0.000 1.388 388 D HN 0.313 nan 8.370 nan 0.000 0.475 389 L N 2.473 123.604 121.223 -0.154 0.000 2.255 389 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 389 L C -1.309 175.452 176.870 -0.182 0.000 1.046 389 L CA -0.527 54.244 54.840 -0.115 0.000 0.816 389 L CB 0.301 42.288 42.059 -0.121 0.000 1.197 389 L HN 0.293 nan 8.230 nan 0.000 0.427 390 W N 4.502 125.726 121.300 -0.127 0.000 2.316 390 W HA 0.492 5.152 4.660 -0.000 0.000 0.308 390 W C 0.174 176.547 176.519 -0.243 0.000 1.106 390 W CA -0.415 56.812 57.345 -0.196 0.000 1.262 390 W CB 1.410 30.739 29.460 -0.218 0.000 1.233 390 W HN 0.410 nan 8.180 nan 0.000 0.447 391 T N 4.233 118.760 114.554 -0.044 0.000 2.795 391 T HA 0.416 4.765 4.350 -0.000 0.000 0.282 391 T C -0.825 173.771 174.700 -0.173 0.000 0.980 391 T CA -0.499 61.573 62.100 -0.047 0.000 1.012 391 T CB 0.551 69.420 68.868 0.002 0.000 0.936 391 T HN -0.049 nan 8.240 nan 0.000 0.457 392 F N 1.684 121.693 119.950 0.099 0.000 2.391 392 F HA 0.448 4.975 4.527 -0.000 0.000 0.359 392 F C 1.506 177.341 175.800 0.057 0.000 1.122 392 F CA -0.780 57.266 58.000 0.077 0.000 1.120 392 F CB 1.097 40.131 39.000 0.057 0.000 1.142 392 F HN 0.773 nan 8.300 nan 0.000 0.483 393 G N 1.817 110.734 108.800 0.195 0.000 2.422 393 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.218 393 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.218 393 G C 1.343 176.313 174.900 0.117 0.000 1.140 393 G CA 0.933 46.107 45.100 0.123 0.000 0.775 393 G HN 0.681 nan 8.290 nan 0.000 0.545 394 D N 0.927 121.408 120.400 0.134 0.000 2.144 394 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 394 D C 2.313 178.655 176.300 0.071 0.000 0.978 394 D CA 2.047 56.100 54.000 0.088 0.000 0.833 394 D CB -1.097 39.747 40.800 0.072 0.000 0.961 394 D HN 0.399 nan 8.370 nan 0.000 0.470 395 T N -4.542 110.068 114.554 0.094 0.000 3.037 395 T HA 0.332 4.682 4.350 -0.000 0.000 0.252 395 T C 1.857 176.612 174.700 0.093 0.000 1.073 395 T CA 0.595 62.736 62.100 0.068 0.000 1.091 395 T CB -0.328 68.558 68.868 0.029 0.000 0.935 395 T HN 0.460 nan 8.240 nan 0.000 0.488 396 G N 1.820 110.697 108.800 0.128 0.000 2.179 396 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 396 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 396 G C 0.031 175.014 174.900 0.138 0.000 1.010 396 G CA 0.079 45.250 45.100 0.118 0.000 0.736 396 G HN 0.690 nan 8.290 nan 0.000 0.513 397 R N 0.375 120.985 120.500 0.182 0.000 2.294 397 R HA 0.540 4.880 4.340 -0.000 0.000 0.319 397 R C -0.229 176.215 176.300 0.240 0.000 0.984 397 R CA -0.114 56.101 56.100 0.191 0.000 0.861 397 R CB 1.192 31.588 30.300 0.160 0.000 1.104 397 R HN 0.254 nan 8.270 nan 0.000 0.451 398 S N 3.741 119.533 115.700 0.153 0.000 2.475 398 S HA 0.530 5.000 4.470 -0.000 0.000 0.298 398 S C -0.390 174.209 174.600 -0.001 0.000 1.119 398 S CA -0.870 57.368 58.200 0.063 0.000 1.085 398 S CB 1.578 64.743 63.200 -0.058 0.000 1.028 398 S HN 0.306 nan 8.310 nan 0.000 0.489 399 I N 2.490 123.107 120.570 0.077 0.000 2.433 399 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 399 I C -0.279 175.886 176.117 0.080 0.000 1.001 399 I CA -1.394 59.957 61.300 0.086 0.000 1.119 399 I CB 1.410 39.513 38.000 0.172 0.000 1.289 399 I HN 0.657 nan 8.210 nan 0.000 0.438 400 I N 6.160 126.752 120.570 0.035 0.000 2.312 400 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 400 I C -0.215 175.957 176.117 0.092 0.000 1.031 400 I CA -0.589 60.742 61.300 0.052 0.000 1.293 400 I CB 0.945 38.956 38.000 0.020 0.000 1.403 400 I HN 0.125 nan 8.210 nan 0.000 0.484 401 V N 7.643 127.648 119.914 0.151 0.000 2.435 401 V HA 0.426 4.546 4.120 -0.000 0.000 0.290 401 V C 0.130 176.282 176.094 0.096 0.000 1.030 401 V CA -0.629 61.752 62.300 0.136 0.000 0.881 401 V CB 1.863 33.811 31.823 0.207 0.000 0.983 401 V HN 0.498 nan 8.190 nan 0.000 0.445 402 L N 3.171 124.429 121.223 0.058 0.000 2.309 402 L HA 0.437 4.777 4.340 -0.000 0.000 0.282 402 L C 0.923 177.799 176.870 0.009 0.000 1.036 402 L CA -0.409 54.443 54.840 0.019 0.000 0.806 402 L CB 1.703 43.773 42.059 0.018 0.000 1.220 402 L HN 0.848 nan 8.230 nan 0.000 0.429 403 S N 1.454 117.105 115.700 -0.083 0.000 3.533 403 S HA -0.208 4.262 4.470 -0.000 0.000 0.347 403 S C 0.641 175.261 174.600 0.034 0.000 1.101 403 S CA 1.164 59.255 58.200 -0.181 0.000 1.009 403 S CB -1.312 61.876 63.200 -0.020 0.000 0.916 403 S HN 0.924 nan 8.310 nan 0.000 0.496 404 E N -1.388 118.854 120.200 0.070 0.000 2.494 404 E HA -0.263 4.087 4.350 -0.000 0.000 0.249 404 E C 0.959 177.670 176.600 0.185 0.000 1.184 404 E CA 0.792 57.315 56.400 0.205 0.000 0.727 404 E CB -1.901 27.989 29.700 0.317 0.000 1.281 404 E HN 1.485 nan 8.360 nan 0.000 0.405 405 G N -0.353 108.526 108.800 0.130 0.000 2.148 405 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.254 405 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.254 405 G C 0.205 175.174 174.900 0.115 0.000 0.981 405 G CA 0.557 45.716 45.100 0.099 0.000 0.670 405 G HN 0.253 nan 8.290 nan 0.000 0.528 406 R N -0.811 119.793 120.500 0.173 0.000 2.573 406 R HA 0.647 4.987 4.340 -0.000 0.000 0.272 406 R C 0.733 177.119 176.300 0.143 0.000 1.009 406 R CA -0.984 55.218 56.100 0.171 0.000 1.059 406 R CB 0.440 30.907 30.300 0.278 0.000 1.112 406 R HN 0.185 nan 8.270 nan 0.000 0.517 407 L N 4.120 125.404 121.223 0.102 0.000 2.877 407 L HA -0.135 4.205 4.340 -0.000 0.000 0.287 407 L C 1.171 178.092 176.870 0.084 0.000 1.112 407 L CA 0.385 55.271 54.840 0.076 0.000 0.986 407 L CB -0.791 41.304 42.059 0.060 0.000 1.384 407 L HN 0.630 nan 8.230 nan 0.000 0.460 408 L N 1.064 122.325 121.223 0.064 0.000 2.395 408 L HA 0.003 4.343 4.340 -0.000 0.000 0.218 408 L C 2.078 178.974 176.870 0.044 0.000 1.130 408 L CA 1.209 56.081 54.840 0.052 0.000 0.826 408 L CB -0.895 41.189 42.059 0.041 0.000 0.941 408 L HN 0.726 nan 8.230 nan 0.000 0.451 409 N N 1.257 119.980 118.700 0.038 0.000 2.135 409 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 409 N C 1.715 177.240 175.510 0.024 0.000 1.027 409 N CA 2.048 55.122 53.050 0.040 0.000 0.849 409 N CB -0.950 37.570 38.487 0.055 0.000 1.002 409 N HN 0.503 nan 8.380 nan 0.000 0.425 410 L N -0.005 121.208 121.223 -0.016 0.000 2.156 410 L HA 0.140 4.480 4.340 -0.000 0.000 0.208 410 L C 2.599 179.518 176.870 0.082 0.000 1.095 410 L CA 1.187 56.021 54.840 -0.010 0.000 0.770 410 L CB -0.537 41.450 42.059 -0.122 0.000 0.914 410 L HN 0.357 nan 8.230 nan 0.000 0.439 411 G N -0.801 108.064 108.800 0.108 0.000 2.408 411 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 411 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 411 G C 1.354 176.278 174.900 0.041 0.000 1.156 411 G CA 0.256 45.435 45.100 0.132 0.000 0.793 411 G HN 0.300 nan 8.290 nan 0.000 0.535 412 N N 0.124 118.841 118.700 0.029 0.000 2.282 412 N HA 0.322 5.062 4.740 -0.000 0.000 0.185 412 N C 0.924 176.456 175.510 0.036 0.000 1.099 412 N CA 0.621 53.678 53.050 0.011 0.000 0.878 412 N CB 1.073 39.562 38.487 0.004 0.000 0.993 412 N HN 0.388 nan 8.380 nan 0.000 0.481 413 A N 0.335 123.188 122.820 0.055 0.000 3.421 413 A HA 0.379 4.699 4.320 -0.000 0.000 0.174 413 A C 0.612 178.246 177.584 0.084 0.000 0.804 413 A CA 0.208 52.287 52.037 0.070 0.000 1.121 413 A CB -0.057 18.987 19.000 0.073 0.000 1.911 413 A HN 0.096 nan 8.150 nan 0.000 0.759 414 T N -2.545 112.065 114.554 0.093 0.000 3.231 414 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 414 T C 1.098 175.836 174.700 0.063 0.000 1.001 414 T CA 1.270 63.425 62.100 0.091 0.000 0.920 414 T CB -0.398 68.536 68.868 0.111 0.000 1.140 414 T HN 2.539 nan 8.240 nan 0.000 0.525 415 G N 1.817 110.645 108.800 0.045 0.000 2.601 415 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.261 415 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.261 415 G C -0.484 174.486 174.900 0.116 0.000 1.289 415 G CA -0.303 44.788 45.100 -0.014 0.000 0.920 415 G HN 0.857 nan 8.290 nan 0.000 0.571 416 H N 1.948 121.011 119.070 -0.012 0.000 2.690 416 H HA 0.357 4.913 4.556 -0.000 0.000 0.365 416 H C -1.633 173.647 175.328 -0.079 0.000 1.142 416 H CA -0.719 55.312 56.048 -0.028 0.000 1.417 416 H CB 0.703 30.428 29.762 -0.061 0.000 1.446 416 H HN 0.462 nan 8.280 nan 0.000 0.599 417 P HA -0.024 nan 4.420 nan 0.000 0.272 417 P C 0.241 177.524 177.300 -0.029 0.000 1.223 417 P CA -0.109 62.898 63.100 -0.155 0.000 0.784 417 P CB 1.157 32.601 31.700 -0.426 0.000 0.923 418 S N 1.411 117.119 115.700 0.014 0.000 2.372 418 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 418 S C 1.560 176.198 174.600 0.062 0.000 1.044 418 S CA 1.405 59.633 58.200 0.048 0.000 1.050 418 S CB -1.150 62.099 63.200 0.081 0.000 0.901 418 S HN 0.504 nan 8.310 nan 0.000 0.447 419 F N 1.709 121.647 119.950 -0.020 0.000 2.161 419 F HA -0.153 4.374 4.527 0.000 0.000 0.300 419 F C 2.244 178.025 175.800 -0.033 0.000 1.089 419 F CA 0.996 59.002 58.000 0.009 0.000 1.282 419 F CB -0.325 38.682 39.000 0.011 0.000 1.010 419 F HN -0.022 nan 8.300 nan 0.000 0.485 420 V N -0.367 119.583 119.914 0.059 0.000 2.323 420 V HA -0.290 3.830 4.120 -0.000 0.000 0.244 420 V C 2.302 178.307 176.094 -0.148 0.000 1.041 420 V CA 1.523 63.806 62.300 -0.028 0.000 1.025 420 V CB -0.408 31.413 31.823 -0.005 0.000 0.656 420 V HN 0.229 nan 8.190 nan 0.000 0.451 421 M N -0.262 119.245 119.600 -0.156 0.000 2.374 421 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 421 M C 2.448 178.544 176.300 -0.340 0.000 1.067 421 M CA 1.456 56.537 55.300 -0.366 0.000 1.103 421 M CB -1.695 30.670 32.600 -0.392 0.000 1.402 421 M HN 0.462 nan 8.290 nan 0.000 0.444 422 S N 1.095 116.685 115.700 -0.183 0.000 2.392 422 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 422 S C 1.770 176.303 174.600 -0.112 0.000 1.041 422 S CA 1.540 59.687 58.200 -0.088 0.000 1.026 422 S CB -0.135 62.998 63.200 -0.112 0.000 0.845 422 S HN 0.529 nan 8.310 nan 0.000 0.465 423 N N 0.667 119.158 118.700 -0.348 0.000 2.092 423 N HA -0.011 4.729 4.740 -0.000 0.000 0.189 423 N C 2.008 177.409 175.510 -0.182 0.000 1.040 423 N CA 1.563 54.381 53.050 -0.387 0.000 0.845 423 N CB -0.661 37.502 38.487 -0.541 0.000 1.017 423 N HN 0.413 nan 8.380 nan 0.000 0.426 424 S N 1.037 116.607 115.700 -0.217 0.000 2.387 424 S HA -0.088 4.382 4.470 -0.000 0.000 0.230 424 S C 1.672 176.296 174.600 0.041 0.000 1.035 424 S CA 1.085 59.193 58.200 -0.154 0.000 1.014 424 S CB -0.296 62.721 63.200 -0.304 0.000 0.836 424 S HN 0.239 nan 8.310 nan 0.000 0.466 425 F N 1.384 121.329 119.950 -0.008 0.000 2.335 425 F HA 0.324 4.851 4.527 -0.000 0.000 0.296 425 F C 2.514 178.315 175.800 0.002 0.000 1.091 425 F CA -0.416 57.586 58.000 0.003 0.000 1.399 425 F CB -1.395 37.605 39.000 -0.001 0.000 1.067 425 F HN 0.173 nan 8.300 nan 0.000 0.520 426 A N 0.310 123.236 122.820 0.176 0.000 2.019 426 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 426 A C 1.973 179.613 177.584 0.093 0.000 1.164 426 A CA 1.943 54.051 52.037 0.117 0.000 0.644 426 A CB -1.088 17.980 19.000 0.112 0.000 0.805 426 A HN 0.440 nan 8.150 nan 0.000 0.449 427 N N -1.095 117.658 118.700 0.088 0.000 2.171 427 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 427 N C 1.982 177.542 175.510 0.083 0.000 1.021 427 N CA 1.258 54.348 53.050 0.067 0.000 0.854 427 N CB -0.161 38.353 38.487 0.045 0.000 0.994 427 N HN 0.611 nan 8.380 nan 0.000 0.426 428 Q N 0.055 119.935 119.800 0.133 0.000 2.050 428 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 428 Q C 1.694 177.725 176.000 0.052 0.000 0.980 428 Q CA 1.550 57.417 55.803 0.108 0.000 0.840 428 Q CB 0.019 28.856 28.738 0.164 0.000 0.898 428 Q HN 0.306 nan 8.270 nan 0.000 0.424 429 T N 0.833 115.419 114.554 0.053 0.000 2.635 429 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 429 T C 1.712 176.402 174.700 -0.016 0.000 1.040 429 T CA 1.615 63.719 62.100 0.007 0.000 1.156 429 T CB -0.295 68.585 68.868 0.019 0.000 0.863 429 T HN 0.256 nan 8.240 nan 0.000 0.430 430 I N 1.225 121.801 120.570 0.010 0.000 2.226 430 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 430 I C 2.929 179.041 176.117 -0.009 0.000 1.100 430 I CA 1.070 62.369 61.300 -0.002 0.000 1.374 430 I CB -0.554 37.467 38.000 0.034 0.000 1.057 430 I HN 0.197 nan 8.210 nan 0.000 0.413 431 A N 0.315 123.140 122.820 0.009 0.000 1.892 431 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 431 A C 2.308 179.870 177.584 -0.038 0.000 1.188 431 A CA 1.572 53.609 52.037 -0.000 0.000 0.631 431 A CB -0.588 18.425 19.000 0.022 0.000 0.822 431 A HN 0.397 nan 8.150 nan 0.000 0.447 432 Q N -0.274 119.506 119.800 -0.033 0.000 2.002 432 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 432 Q C 2.208 178.191 176.000 -0.029 0.000 0.988 432 Q CA 1.821 57.598 55.803 -0.044 0.000 0.843 432 Q CB -0.582 28.121 28.738 -0.059 0.000 0.908 432 Q HN 0.786 nan 8.270 nan 0.000 0.420 433 I N 1.212 121.745 120.570 -0.061 0.000 2.194 433 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 433 I C 2.261 178.361 176.117 -0.027 0.000 1.093 433 I CA 1.219 62.474 61.300 -0.075 0.000 1.355 433 I CB -0.291 37.572 38.000 -0.229 0.000 1.046 433 I HN 0.185 nan 8.210 nan 0.000 0.413 434 E N 0.716 120.890 120.200 -0.044 0.000 2.028 434 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 434 E C 2.345 178.832 176.600 -0.188 0.000 0.984 434 E CA 1.034 57.407 56.400 -0.045 0.000 0.800 434 E CB -0.416 29.303 29.700 0.031 0.000 0.758 434 E HN 0.489 nan 8.360 nan 0.000 0.448 435 L N 0.071 121.119 121.223 -0.292 0.000 2.353 435 L HA -0.121 4.219 4.340 -0.000 0.000 0.220 435 L C 2.265 179.038 176.870 -0.162 0.000 1.133 435 L CA 0.808 55.394 54.840 -0.423 0.000 0.798 435 L CB -0.191 41.687 42.059 -0.302 0.000 0.922 435 L HN 0.301 nan 8.230 nan 0.000 0.445 436 W N 0.423 121.592 121.300 -0.219 0.000 2.780 436 W HA -0.113 4.547 4.660 -0.000 0.000 0.272 436 W C 2.505 178.953 176.519 -0.119 0.000 1.116 436 W CA 1.354 58.604 57.345 -0.160 0.000 1.600 436 W CB -0.116 29.259 29.460 -0.143 0.000 1.086 436 W HN 0.214 nan 8.180 nan 0.000 0.584 437 T N -0.449 114.081 114.554 -0.040 0.000 2.857 437 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 437 T C 1.062 175.686 174.700 -0.126 0.000 1.048 437 T CA 0.970 63.010 62.100 -0.100 0.000 1.139 437 T CB -0.346 68.522 68.868 -0.000 0.000 0.874 437 T HN -0.062 nan 8.240 nan 0.000 0.455 438 K N 1.460 121.815 120.400 -0.074 0.000 3.109 438 K HA 0.329 4.649 4.320 -0.000 0.000 0.214 438 K C 1.168 177.773 176.600 0.008 0.000 1.196 438 K CA -0.300 55.989 56.287 0.004 0.000 1.115 438 K CB 0.171 32.740 32.500 0.116 0.000 1.103 438 K HN 0.165 nan 8.250 nan 0.000 0.467 439 N N 1.328 119.947 118.700 -0.135 0.000 2.289 439 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 439 N C 0.575 176.074 175.510 -0.019 0.000 1.016 439 N CA 1.441 54.397 53.050 -0.157 0.000 0.872 439 N CB 0.379 38.705 38.487 -0.268 0.000 0.973 439 N HN 0.300 nan 8.380 nan 0.000 0.433 440 D N 0.683 121.080 120.400 -0.004 0.000 2.144 440 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 440 D C 1.465 177.807 176.300 0.069 0.000 0.984 440 D CA 0.982 54.993 54.000 0.017 0.000 0.834 440 D CB -0.008 40.786 40.800 -0.010 0.000 0.955 440 D HN 0.429 nan 8.370 nan 0.000 0.465 441 E N -1.032 119.241 120.200 0.122 0.000 2.338 441 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 441 E C -0.231 176.313 176.600 -0.092 0.000 1.007 441 E CA 0.445 56.841 56.400 -0.006 0.000 0.849 441 E CB 0.126 29.743 29.700 -0.138 0.000 0.774 441 E HN 0.385 nan 8.360 nan 0.000 0.506 442 Y N 1.200 121.414 120.300 -0.143 0.000 2.342 442 Y HA 0.224 4.774 4.550 -0.000 0.000 0.338 442 Y C 0.282 176.160 175.900 -0.037 0.000 0.965 442 Y CA -1.559 56.382 58.100 -0.264 0.000 1.159 442 Y CB 0.626 38.707 38.460 -0.631 0.000 1.157 442 Y HN -0.218 nan 8.280 nan 0.000 0.486 443 D N 0.998 121.567 120.400 0.281 0.000 2.349 443 D HA -0.025 4.615 4.640 -0.000 0.000 0.239 443 D C 0.058 176.538 176.300 0.300 0.000 1.315 443 D CA 0.096 54.251 54.000 0.257 0.000 0.937 443 D CB 0.487 41.431 40.800 0.240 0.000 1.133 443 D HN 0.530 nan 8.370 nan 0.000 0.489 444 N N 1.411 120.230 118.700 0.199 0.000 3.178 444 N HA 0.058 4.798 4.740 -0.000 0.000 0.300 444 N C -0.461 175.156 175.510 0.177 0.000 1.242 444 N CA 0.117 53.264 53.050 0.163 0.000 1.192 444 N CB 0.385 38.904 38.487 0.054 0.000 1.463 444 N HN 0.288 nan 8.380 nan 0.000 0.539 445 E N -0.127 120.273 120.200 0.333 0.000 2.445 445 E HA 0.373 4.723 4.350 -0.000 0.000 0.273 445 E C -0.784 175.975 176.600 0.265 0.000 0.961 445 E CA -0.890 55.627 56.400 0.196 0.000 0.807 445 E CB 2.309 32.002 29.700 -0.012 0.000 1.362 445 E HN -0.076 nan 8.360 nan 0.000 0.453 446 V N 2.165 122.141 119.914 0.102 0.000 2.461 446 V HA 0.229 4.349 4.120 -0.000 0.000 0.275 446 V C -1.024 175.093 176.094 0.039 0.000 1.047 446 V CA 0.005 62.389 62.300 0.140 0.000 0.955 446 V CB -0.219 31.634 31.823 0.049 0.000 0.988 446 V HN 0.473 nan 8.190 nan 0.000 0.471 447 Y N 3.938 124.327 120.300 0.149 0.000 2.562 447 Y HA 0.718 5.268 4.550 -0.000 0.000 0.343 447 Y C 0.435 176.420 175.900 0.141 0.000 1.025 447 Y CA -1.037 57.164 58.100 0.168 0.000 1.082 447 Y CB 1.866 40.476 38.460 0.251 0.000 1.264 447 Y HN 0.466 nan 8.280 nan 0.000 0.478 448 R N 1.208 121.879 120.500 0.285 0.000 2.740 448 R HA 0.554 4.894 4.340 -0.000 0.000 0.282 448 R C -1.201 175.215 176.300 0.194 0.000 0.969 448 R CA -1.076 55.145 56.100 0.202 0.000 0.918 448 R CB 1.849 32.239 30.300 0.150 0.000 1.175 448 R HN 0.555 nan 8.270 nan 0.000 0.464 449 L N 3.690 124.995 121.223 0.137 0.000 2.483 449 L HA 0.130 4.470 4.340 -0.000 0.000 0.276 449 L C -1.579 175.317 176.870 0.044 0.000 1.213 449 L CA -1.326 53.564 54.840 0.084 0.000 0.843 449 L CB 0.156 42.238 42.059 0.039 0.000 1.107 449 L HN 0.349 nan 8.230 nan 0.000 0.487 450 P HA 0.040 nan 4.420 nan 0.000 0.272 450 P C -0.027 177.211 177.300 -0.103 0.000 1.230 450 P CA -0.443 62.630 63.100 -0.045 0.000 0.788 450 P CB 0.834 32.490 31.700 -0.073 0.000 0.949 451 K N 0.846 121.254 120.400 0.013 0.000 2.097 451 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 451 K C 2.105 178.717 176.600 0.021 0.000 1.049 451 K CA 1.252 57.568 56.287 0.048 0.000 0.933 451 K CB -0.363 32.209 32.500 0.120 0.000 0.717 451 K HN 0.618 nan 8.250 nan 0.000 0.442 452 H N 0.315 119.400 119.070 0.025 0.000 2.457 452 H HA -0.145 4.411 4.556 -0.000 0.000 0.297 452 H C 1.811 177.160 175.328 0.034 0.000 1.092 452 H CA 1.285 57.337 56.048 0.006 0.000 1.309 452 H CB -0.455 29.297 29.762 -0.016 0.000 1.382 452 H HN 0.237 nan 8.280 nan 0.000 0.535 453 L N 0.410 121.419 121.223 -0.357 0.000 2.179 453 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 453 L C 2.165 179.005 176.870 -0.049 0.000 1.096 453 L CA 0.877 55.623 54.840 -0.157 0.000 0.779 453 L CB -0.235 41.714 42.059 -0.184 0.000 0.922 453 L HN 0.112 nan 8.230 nan 0.000 0.443 454 D N 0.358 120.731 120.400 -0.045 0.000 2.144 454 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 454 D C 2.137 178.432 176.300 -0.007 0.000 0.978 454 D CA 1.051 55.036 54.000 -0.026 0.000 0.833 454 D CB 0.114 40.898 40.800 -0.027 0.000 0.961 454 D HN 0.330 nan 8.370 nan 0.000 0.470 455 E N 0.482 120.703 120.200 0.036 0.000 2.072 455 E HA -0.158 4.191 4.350 -0.000 0.000 0.191 455 E C 1.975 178.624 176.600 0.082 0.000 0.985 455 E CA 0.607 57.060 56.400 0.089 0.000 0.801 455 E CB 0.051 29.840 29.700 0.148 0.000 0.750 455 E HN 0.167 nan 8.360 nan 0.000 0.452 456 K N 1.001 121.444 120.400 0.071 0.000 2.044 456 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 456 K C 2.094 178.729 176.600 0.058 0.000 1.049 456 K CA 1.562 57.889 56.287 0.068 0.000 0.927 456 K CB -0.061 32.481 32.500 0.071 0.000 0.713 456 K HN -0.017 nan 8.250 nan 0.000 0.443 457 V N 1.074 121.016 119.914 0.046 0.000 2.343 457 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 457 V C 2.469 178.641 176.094 0.131 0.000 1.051 457 V CA 1.994 64.339 62.300 0.075 0.000 1.036 457 V CB -0.786 31.045 31.823 0.013 0.000 0.654 457 V HN 0.495 nan 8.190 nan 0.000 0.451 458 A N 0.004 122.829 122.820 0.009 0.000 1.898 458 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 458 A C 2.436 180.059 177.584 0.065 0.000 1.181 458 A CA 1.797 53.806 52.037 -0.047 0.000 0.620 458 A CB -0.544 18.402 19.000 -0.090 0.000 0.819 458 A HN 0.463 nan 8.150 nan 0.000 0.442 459 R N -0.203 120.340 120.500 0.072 0.000 2.081 459 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 459 R C 1.909 178.232 176.300 0.039 0.000 1.131 459 R CA 1.748 57.889 56.100 0.070 0.000 0.960 459 R CB -0.470 29.877 30.300 0.080 0.000 0.856 459 R HN 0.525 nan 8.270 nan 0.000 0.436 460 I N 0.104 120.671 120.570 -0.006 0.000 2.151 460 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 460 I C 1.961 177.960 176.117 -0.198 0.000 1.080 460 I CA 1.875 63.092 61.300 -0.139 0.000 1.339 460 I CB -0.324 37.506 38.000 -0.283 0.000 1.039 460 I HN 0.320 nan 8.210 nan 0.000 0.409 461 H N -0.804 118.241 119.070 -0.042 0.000 2.403 461 H HA -0.049 4.507 4.556 -0.000 0.000 0.298 461 H C 2.225 177.632 175.328 0.132 0.000 1.059 461 H CA 1.138 57.201 56.048 0.025 0.000 1.363 461 H CB -0.418 29.270 29.762 -0.124 0.000 1.410 461 H HN 0.061 nan 8.280 nan 0.000 0.528 462 V N 1.159 121.170 119.914 0.162 0.000 2.233 462 V HA -0.295 3.824 4.120 -0.000 0.000 0.247 462 V C 2.087 178.227 176.094 0.078 0.000 1.050 462 V CA 2.148 64.512 62.300 0.107 0.000 1.010 462 V CB -0.480 31.390 31.823 0.078 0.000 0.637 462 V HN 0.491 nan 8.190 nan 0.000 0.444 463 E N 0.267 120.505 120.200 0.065 0.000 2.048 463 E HA -0.324 4.026 4.350 -0.000 0.000 0.202 463 E C 2.325 178.960 176.600 0.058 0.000 1.021 463 E CA 1.634 58.066 56.400 0.054 0.000 0.825 463 E CB -0.483 29.239 29.700 0.036 0.000 0.756 463 E HN 0.594 nan 8.360 nan 0.000 0.454 464 A N 1.106 123.971 122.820 0.076 0.000 1.927 464 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 464 A C 2.170 179.816 177.584 0.104 0.000 1.185 464 A CA 1.417 53.528 52.037 0.123 0.000 0.639 464 A CB -0.702 18.435 19.000 0.229 0.000 0.820 464 A HN 0.189 nan 8.150 nan 0.000 0.451 465 L N -1.751 119.530 121.223 0.097 0.000 2.478 465 L HA 0.122 4.462 4.340 -0.000 0.000 0.223 465 L C 1.776 178.615 176.870 -0.052 0.000 1.140 465 L CA 0.604 55.431 54.840 -0.023 0.000 0.842 465 L CB -0.285 41.751 42.059 -0.039 0.000 0.953 465 L HN 0.655 nan 8.230 nan 0.000 0.452 466 G N -0.352 108.425 108.800 -0.039 0.000 2.157 466 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.239 466 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.239 466 G C 0.555 175.278 174.900 -0.295 0.000 0.982 466 G CA -0.225 44.814 45.100 -0.102 0.000 0.650 466 G HN 0.500 nan 8.290 nan 0.000 0.527 467 G N -0.485 108.195 108.800 -0.199 0.000 2.483 467 G HA2 0.511 4.471 3.960 -0.000 0.000 0.248 467 G HA3 0.511 4.471 3.960 -0.000 0.000 0.248 467 G C -0.443 174.326 174.900 -0.219 0.000 1.248 467 G CA -0.214 44.745 45.100 -0.234 0.000 0.838 467 G HN 0.601 nan 8.290 nan 0.000 0.566 468 H N 1.041 120.120 119.070 0.016 0.000 2.551 468 H HA 0.285 4.841 4.556 -0.000 0.000 0.321 468 H C 0.228 175.561 175.328 0.008 0.000 1.028 468 H CA -0.902 55.153 56.048 0.012 0.000 1.215 468 H CB 1.590 31.356 29.762 0.007 0.000 1.414 468 H HN 0.185 nan 8.280 nan 0.000 0.480 469 L N 2.512 123.807 121.223 0.120 0.000 2.452 469 L HA 0.148 4.488 4.340 -0.000 0.000 0.267 469 L C 0.510 177.405 176.870 0.043 0.000 1.188 469 L CA 0.057 54.930 54.840 0.056 0.000 0.821 469 L CB 1.018 43.099 42.059 0.037 0.000 1.102 469 L HN 0.659 nan 8.230 nan 0.000 0.470 470 T N 2.384 116.941 114.554 0.005 0.000 2.909 470 T HA 0.194 4.544 4.350 -0.000 0.000 0.286 470 T C -0.065 174.621 174.700 -0.022 0.000 1.002 470 T CA -0.497 61.600 62.100 -0.005 0.000 1.074 470 T CB 1.282 70.140 68.868 -0.016 0.000 0.984 470 T HN 0.370 nan 8.240 nan 0.000 0.495 471 K N 3.189 123.585 120.400 -0.006 0.000 2.240 471 K HA 0.402 4.722 4.320 -0.000 0.000 0.271 471 K C -0.285 176.317 176.600 0.004 0.000 1.018 471 K CA -0.598 55.692 56.287 0.006 0.000 0.874 471 K CB 0.365 32.876 32.500 0.019 0.000 1.098 471 K HN 0.504 nan 8.250 nan 0.000 0.458 472 L N 3.729 124.959 121.223 0.011 0.000 2.543 472 L HA -0.004 4.336 4.340 -0.000 0.000 0.285 472 L C 1.074 177.964 176.870 0.034 0.000 1.236 472 L CA 0.064 54.920 54.840 0.026 0.000 0.871 472 L CB 0.190 42.288 42.059 0.065 0.000 1.121 472 L HN 0.795 nan 8.230 nan 0.000 0.501 473 T N -0.869 113.699 114.554 0.024 0.000 2.754 473 T HA 0.112 4.462 4.350 -0.000 0.000 0.286 473 T C 0.956 175.679 174.700 0.039 0.000 0.997 473 T CA -0.633 61.481 62.100 0.024 0.000 0.982 473 T CB 1.197 70.072 68.868 0.011 0.000 1.027 473 T HN 0.713 nan 8.240 nan 0.000 0.529 474 K N 0.262 120.683 120.400 0.036 0.000 2.057 474 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 474 K C 2.157 178.789 176.600 0.053 0.000 1.049 474 K CA 1.463 57.776 56.287 0.042 0.000 0.931 474 K CB -0.201 32.318 32.500 0.032 0.000 0.714 474 K HN 0.721 nan 8.250 nan 0.000 0.440 475 E N 0.588 120.816 120.200 0.046 0.000 2.070 475 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 475 E C 2.205 178.867 176.600 0.103 0.000 1.004 475 E CA 1.858 58.295 56.400 0.062 0.000 0.805 475 E CB -0.027 29.694 29.700 0.034 0.000 0.744 475 E HN 0.505 nan 8.360 nan 0.000 0.451 476 Q N -0.353 119.493 119.800 0.077 0.000 2.119 476 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 476 Q C 2.141 178.233 176.000 0.153 0.000 0.972 476 Q CA 1.129 56.994 55.803 0.104 0.000 0.847 476 Q CB -0.094 28.668 28.738 0.039 0.000 0.903 476 Q HN 0.208 nan 8.270 nan 0.000 0.433 477 A N 1.236 124.124 122.820 0.114 0.000 1.898 477 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 477 A C 1.919 179.565 177.584 0.103 0.000 1.181 477 A CA 1.579 53.684 52.037 0.114 0.000 0.620 477 A CB -0.467 18.592 19.000 0.098 0.000 0.819 477 A HN 0.389 nan 8.150 nan 0.000 0.442 478 E N -1.495 118.763 120.200 0.097 0.000 2.058 478 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 478 E C 1.801 178.452 176.600 0.086 0.000 0.997 478 E CA 1.538 57.986 56.400 0.079 0.000 0.801 478 E CB -0.372 29.374 29.700 0.077 0.000 0.746 478 E HN 0.654 nan 8.360 nan 0.000 0.450 479 Y N 0.812 121.124 120.300 0.019 0.000 2.069 479 Y HA -0.242 4.308 4.550 -0.000 0.000 0.278 479 Y C 1.872 177.784 175.900 0.019 0.000 1.175 479 Y CA 1.978 60.088 58.100 0.017 0.000 1.134 479 Y CB -0.113 38.356 38.460 0.015 0.000 0.965 479 Y HN 0.082 nan 8.280 nan 0.000 0.498 480 L N -1.021 120.287 121.223 0.142 0.000 2.492 480 L HA 0.108 4.448 4.340 -0.000 0.000 0.223 480 L C 1.541 178.422 176.870 0.018 0.000 1.132 480 L CA 0.715 55.598 54.840 0.072 0.000 0.850 480 L CB -0.755 41.381 42.059 0.128 0.000 0.966 480 L HN 0.533 nan 8.230 nan 0.000 0.454 481 G N 1.289 110.099 108.800 0.017 0.000 2.225 481 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 481 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 481 G C 0.030 174.943 174.900 0.021 0.000 1.060 481 G CA 0.359 45.464 45.100 0.007 0.000 0.833 481 G HN 0.310 nan 8.290 nan 0.000 0.498 482 V N -3.940 116.001 119.914 0.046 0.000 3.074 482 V HA 0.866 4.986 4.120 -0.000 0.000 0.314 482 V C -0.198 175.919 176.094 0.038 0.000 1.117 482 V CA -1.523 60.801 62.300 0.040 0.000 1.014 482 V CB 2.134 34.011 31.823 0.090 0.000 1.057 482 V HN 0.032 nan 8.190 nan 0.000 0.438 483 D N 1.118 121.513 120.400 -0.009 0.000 2.345 483 D HA 0.305 4.945 4.640 -0.000 0.000 0.247 483 D C 1.350 177.684 176.300 0.057 0.000 1.108 483 D CA -0.099 53.900 54.000 -0.001 0.000 0.894 483 D CB 2.037 42.806 40.800 -0.051 0.000 1.203 483 D HN 0.419 nan 8.370 nan 0.000 0.430 484 V N 2.226 122.196 119.914 0.094 0.000 2.527 484 V HA -0.238 3.882 4.120 -0.000 0.000 0.255 484 V C 1.910 178.142 176.094 0.230 0.000 1.081 484 V CA 1.683 64.081 62.300 0.163 0.000 1.092 484 V CB -0.305 31.577 31.823 0.100 0.000 0.673 484 V HN 0.524 nan 8.190 nan 0.000 0.470 485 E N -0.411 119.839 120.200 0.083 0.000 2.447 485 E HA 0.302 4.652 4.350 -0.000 0.000 0.195 485 E C 1.190 177.685 176.600 -0.176 0.000 1.028 485 E CA 0.820 57.243 56.400 0.038 0.000 0.876 485 E CB 0.449 30.143 29.700 -0.009 0.000 0.885 485 E HN 0.640 nan 8.360 nan 0.000 0.500 486 G N 2.602 111.073 108.800 -0.548 0.000 2.631 486 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.504 486 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.504 486 G C -2.687 171.936 174.900 -0.462 0.000 1.306 486 G CA -0.663 43.740 45.100 -1.163 0.000 0.897 486 G HN -0.023 nan 8.290 nan 0.000 0.520 487 P HA 0.356 nan 4.420 nan 0.000 0.272 487 P C -0.327 176.741 177.300 -0.388 0.000 1.230 487 P CA 0.111 63.000 63.100 -0.351 0.000 0.788 487 P CB 0.365 32.033 31.700 -0.053 0.000 0.949 488 Y N -0.876 119.442 120.300 0.030 0.000 2.458 488 Y HA 0.216 4.766 4.550 0.000 0.000 0.254 488 Y C 1.120 176.958 175.900 -0.103 0.000 1.120 488 Y CA 0.358 58.445 58.100 -0.021 0.000 1.282 488 Y CB 0.303 38.755 38.460 -0.013 0.000 1.109 488 Y HN 0.078 nan 8.280 nan 0.000 0.526 489 K N 0.602 121.002 120.400 -0.000 0.000 2.267 489 K HA 0.451 4.771 4.320 -0.000 0.000 0.246 489 K C -2.816 173.725 176.600 -0.098 0.000 0.954 489 K CA -2.257 53.913 56.287 -0.194 0.000 0.824 489 K CB 1.036 33.309 32.500 -0.377 0.000 1.167 489 K HN -0.169 nan 8.250 nan 0.000 0.431 490 P HA 0.086 nan 4.420 nan 0.000 0.272 490 P C 0.297 177.521 177.300 -0.127 0.000 1.230 490 P CA -0.125 62.893 63.100 -0.136 0.000 0.788 490 P CB 0.545 32.075 31.700 -0.283 0.000 0.949 491 D N -0.212 120.172 120.400 -0.027 0.000 2.221 491 D HA -0.218 4.422 4.640 -0.000 0.000 0.204 491 D C 1.318 177.665 176.300 0.079 0.000 0.982 491 D CA 1.387 55.425 54.000 0.064 0.000 0.857 491 D CB -0.142 40.723 40.800 0.109 0.000 0.934 491 D HN 0.615 nan 8.370 nan 0.000 0.475 492 H N -2.804 116.332 119.070 0.111 0.000 2.539 492 H HA 0.104 4.660 4.556 -0.000 0.000 0.269 492 H C -0.043 175.328 175.328 0.071 0.000 0.980 492 H CA -0.447 55.650 56.048 0.081 0.000 1.152 492 H CB -0.973 28.816 29.762 0.046 0.000 1.407 492 H HN 0.121 nan 8.280 nan 0.000 0.564 493 Y N 2.662 122.728 120.300 -0.390 0.000 2.712 493 Y HA -0.001 4.549 4.550 -0.000 0.000 0.333 493 Y C 0.957 176.725 175.900 -0.219 0.000 1.225 493 Y CA 0.148 58.028 58.100 -0.367 0.000 1.499 493 Y CB 0.578 38.734 38.460 -0.508 0.000 1.288 493 Y HN 0.180 nan 8.280 nan 0.000 0.575 494 R N 3.920 123.965 120.500 -0.758 0.000 2.365 494 R HA 0.097 4.437 4.340 -0.000 0.000 0.223 494 R C -0.780 175.433 176.300 -0.146 0.000 0.899 494 R CA -0.143 55.790 56.100 -0.278 0.000 1.059 494 R CB 0.083 30.251 30.300 -0.219 0.000 1.086 494 R HN 0.828 nan 8.270 nan 0.000 0.522 495 Y N 0.000 120.022 120.300 -0.463 0.000 2.660 495 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 495 Y CA 0.000 58.072 58.100 -0.047 0.000 1.940 495 Y CB 0.000 38.545 38.460 0.142 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758