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 3dtu_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRGFFTRWFM STNHKDIGVL YLFTGGLVGL ISVAFTVYMR MELMAPGVQF DATA SEQUENCE McAEHLESGL VKGFFQSLWP SAVENcTPNG HLWNVMITGH GILMMFFVVI DATA SEQUENCE PALFGGFGNY FMPLHIGAPD MAFPRMNNLS YWLYVAGTSL AVASLFAPGG DATA SEQUENCE NGQLGSGIGW VLYPPLSTSE SGYSTDLAIF AVHLSGASSI LGAINMITTF DATA SEQUENCE LNMRAPGMTM HKVPLFAWSI FVTAWLILLA LPVLAGAITM LLTDRNFGTT DATA SEQUENCE FFQPSGGGDP VLYQHILWFF GHPEVYIIVL PAFGIVSHVI ATFAKKPIFG DATA SEQUENCE YLPMVYAMVA IGVLGFVVWA HHMYTAGLSL TQQSYFMMAT MVIAVPTGIK DATA SEQUENCE IFSWIATMWG GSIELKTPML WALGFLFLFT VGGVTGIVLS QASVDRYYHD DATA SEQUENCE TYYVVAHFHY VMSLGAVFGI FAGIYFWIGK MSGRQYPEWA GKLHFWMMFV DATA SEQUENCE GANLTFFPQH FLGRQGMPRR YIDYPEAFAT WNFVSSLGAF LSFASFLFFL DATA SEQUENCE GVIFYTLTRG ARVTANNYWN EHADTLEWTL TSPPPEHTF 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.308 176.300 0.014 0.000 0.893 13 R CA 0.000 56.104 56.100 0.006 0.000 0.921 13 R CB 0.000 30.294 30.300 -0.009 0.000 0.687 14 R N 1.134 121.634 120.500 0.001 0.000 2.308 14 R HA 0.374 4.697 4.340 -0.028 0.000 0.305 14 R C 0.124 176.458 176.300 0.056 0.000 1.053 14 R CA 0.264 56.368 56.100 0.007 0.000 0.957 14 R CB 1.441 31.708 30.300 -0.055 0.000 1.022 14 R HN 0.360 nan 8.270 nan 0.000 0.461 15 G N 1.284 110.145 108.800 0.103 0.000 2.636 15 G HA2 -0.065 3.879 3.960 -0.028 0.000 0.246 15 G HA3 -0.065 3.879 3.960 -0.028 0.000 0.246 15 G C 0.345 175.401 174.900 0.260 0.000 1.216 15 G CA -0.457 44.755 45.100 0.186 0.000 0.854 15 G HN 0.665 nan 8.290 nan 0.000 0.572 16 F N 0.656 120.737 119.950 0.218 0.000 2.126 16 F HA -0.093 4.417 4.527 -0.028 0.000 0.299 16 F C 2.111 178.187 175.800 0.460 0.000 1.096 16 F CA 1.732 59.929 58.000 0.328 0.000 1.255 16 F CB -0.192 38.983 39.000 0.291 0.000 0.997 16 F HN 0.462 nan 8.300 nan 0.000 0.479 17 F N 0.285 120.456 119.950 0.368 0.000 2.113 17 F HA -0.198 4.312 4.527 -0.028 0.000 0.297 17 F C 2.406 178.366 175.800 0.267 0.000 1.103 17 F CA 2.164 60.398 58.000 0.389 0.000 1.248 17 F CB -0.718 38.450 39.000 0.281 0.000 0.999 17 F HN -0.161 nan 8.300 nan 0.000 0.475 18 T N 0.104 114.784 114.554 0.210 0.000 2.777 18 T HA -0.202 4.131 4.350 -0.028 0.000 0.266 18 T C 1.871 176.491 174.700 -0.134 0.000 1.040 18 T CA 1.514 63.638 62.100 0.039 0.000 1.141 18 T CB -0.315 68.604 68.868 0.085 0.000 0.868 18 T HN 0.122 nan 8.240 nan 0.000 0.444 19 R N -0.186 120.193 120.500 -0.203 0.000 2.091 19 R HA -0.101 4.223 4.340 -0.028 0.000 0.238 19 R C 1.624 177.431 176.300 -0.823 0.000 1.136 19 R CA 1.750 57.542 56.100 -0.513 0.000 0.959 19 R CB -0.437 29.531 30.300 -0.553 0.000 0.856 19 R HN 0.544 nan 8.270 nan 0.000 0.437 20 W N -1.958 119.066 121.300 -0.461 0.000 3.203 20 W HA 0.251 4.895 4.660 -0.028 0.000 0.255 20 W C 1.806 177.940 176.519 -0.643 0.000 0.959 20 W CA -0.305 56.644 57.345 -0.659 0.000 2.066 20 W CB -0.607 28.232 29.460 -1.034 0.000 1.143 20 W HN -0.129 nan 8.180 nan 0.000 0.595 21 F N 0.235 120.022 119.950 -0.273 0.000 2.365 21 F HA -0.149 4.362 4.527 -0.027 0.000 0.300 21 F C 2.129 177.836 175.800 -0.156 0.000 1.090 21 F CA 0.860 58.664 58.000 -0.326 0.000 1.408 21 F CB -0.296 38.415 39.000 -0.483 0.000 1.060 21 F HN -0.168 nan 8.300 nan 0.000 0.534 22 M N -1.027 118.515 119.600 -0.096 0.000 2.441 22 M HA 0.114 4.578 4.480 -0.028 0.000 0.244 22 M C 0.919 177.202 176.300 -0.028 0.000 1.122 22 M CA 0.209 55.508 55.300 -0.002 0.000 1.041 22 M CB -0.750 31.835 32.600 -0.026 0.000 1.438 22 M HN -0.112 nan 8.290 nan 0.000 0.484 23 S N 1.470 117.093 115.700 -0.128 0.000 2.560 23 S HA 0.089 4.542 4.470 -0.028 0.000 0.284 23 S C 1.317 175.860 174.600 -0.095 0.000 1.327 23 S CA 0.324 58.425 58.200 -0.165 0.000 1.055 23 S CB 0.513 63.538 63.200 -0.292 0.000 0.868 23 S HN 0.560 nan 8.310 nan 0.000 0.506 24 T N 1.435 115.944 114.554 -0.076 0.000 3.054 24 T HA 0.206 4.539 4.350 -0.028 0.000 0.255 24 T C 0.520 175.187 174.700 -0.056 0.000 1.035 24 T CA -0.450 61.635 62.100 -0.025 0.000 0.941 24 T CB -0.341 68.537 68.868 0.016 0.000 1.026 24 T HN 0.581 nan 8.240 nan 0.000 0.533 25 N N 1.877 120.493 118.700 -0.140 0.000 2.497 25 N HA 0.003 4.727 4.740 -0.028 0.000 0.271 25 N C 1.269 176.654 175.510 -0.208 0.000 1.142 25 N CA 0.105 53.041 53.050 -0.190 0.000 0.965 25 N CB 0.930 39.218 38.487 -0.331 0.000 1.077 25 N HN 0.635 nan 8.380 nan 0.000 0.462 26 H N 3.394 122.336 119.070 -0.214 0.000 2.387 26 H HA -0.082 4.457 4.556 -0.028 0.000 0.299 26 H C 1.204 176.335 175.328 -0.329 0.000 1.099 26 H CA 1.542 57.456 56.048 -0.224 0.000 1.315 26 H CB 0.200 29.829 29.762 -0.221 0.000 1.380 26 H HN 0.537 nan 8.280 nan 0.000 0.513 27 K N 0.146 119.829 120.400 -1.194 0.000 2.097 27 K HA -0.106 4.197 4.320 -0.028 0.000 0.205 27 K C 1.512 177.858 176.600 -0.423 0.000 1.050 27 K CA 1.336 56.898 56.287 -1.208 0.000 0.938 27 K CB 0.086 31.743 32.500 -1.404 0.000 0.718 27 K HN 0.422 nan 8.250 nan 0.000 0.442 28 D N 1.033 121.235 120.400 -0.330 0.000 2.123 28 D HA -0.069 4.555 4.640 -0.028 0.000 0.200 28 D C 1.977 178.221 176.300 -0.095 0.000 0.976 28 D CA 0.915 54.847 54.000 -0.115 0.000 0.831 28 D CB -0.134 40.501 40.800 -0.275 0.000 0.974 28 D HN 0.140 nan 8.370 nan 0.000 0.469 29 I N 1.330 121.808 120.570 -0.153 0.000 2.179 29 I HA -0.173 3.980 4.170 -0.028 0.000 0.242 29 I C 2.606 178.741 176.117 0.030 0.000 1.088 29 I CA 1.311 62.538 61.300 -0.121 0.000 1.357 29 I CB -0.552 37.445 38.000 -0.006 0.000 1.051 29 I HN 0.007 nan 8.210 nan 0.000 0.409 30 G N 0.703 109.529 108.800 0.044 0.000 2.529 30 G HA2 -0.251 3.693 3.960 -0.028 0.000 0.219 30 G HA3 -0.251 3.693 3.960 -0.028 0.000 0.219 30 G C 1.700 176.634 174.900 0.056 0.000 1.177 30 G CA 1.284 46.439 45.100 0.092 0.000 0.773 30 G HN 0.265 nan 8.290 nan 0.000 0.573 31 V N 0.890 120.840 119.914 0.060 0.000 2.343 31 V HA -0.128 3.975 4.120 -0.028 0.000 0.247 31 V C 2.944 179.021 176.094 -0.029 0.000 1.051 31 V CA 1.554 63.852 62.300 -0.003 0.000 1.036 31 V CB -0.420 31.465 31.823 0.102 0.000 0.654 31 V HN 0.358 nan 8.190 nan 0.000 0.451 32 L N -1.613 119.513 121.223 -0.161 0.000 2.017 32 L HA -0.224 4.100 4.340 -0.028 0.000 0.208 32 L C 2.480 179.307 176.870 -0.073 0.000 1.073 32 L CA 2.000 56.611 54.840 -0.381 0.000 0.745 32 L CB -0.691 40.714 42.059 -1.091 0.000 0.894 32 L HN 0.286 nan 8.230 nan 0.000 0.432 33 Y N -0.211 120.088 120.300 -0.002 0.000 2.181 33 Y HA -0.270 4.264 4.550 -0.028 0.000 0.288 33 Y C 2.478 178.423 175.900 0.075 0.000 1.146 33 Y CA 1.204 59.411 58.100 0.179 0.000 1.164 33 Y CB -0.144 38.353 38.460 0.061 0.000 0.982 33 Y HN 0.072 nan 8.280 nan 0.000 0.515 34 L N -1.863 119.396 121.223 0.060 0.000 2.017 34 L HA -0.248 4.076 4.340 -0.028 0.000 0.208 34 L C 2.034 178.856 176.870 -0.080 0.000 1.073 34 L CA 1.269 56.022 54.840 -0.145 0.000 0.745 34 L CB -0.514 41.296 42.059 -0.415 0.000 0.894 34 L HN 0.166 nan 8.230 nan 0.000 0.432 35 F N -0.250 119.702 119.950 0.004 0.000 2.146 35 F HA -0.184 4.327 4.527 -0.027 0.000 0.298 35 F C 2.636 178.505 175.800 0.115 0.000 1.096 35 F CA 1.618 59.632 58.000 0.023 0.000 1.275 35 F CB -0.920 38.041 39.000 -0.066 0.000 1.008 35 F HN 0.014 nan 8.300 nan 0.000 0.480 36 T N -0.852 113.921 114.554 0.365 0.000 2.737 36 T HA -0.120 4.214 4.350 -0.028 0.000 0.265 36 T C 2.397 177.316 174.700 0.364 0.000 1.038 36 T CA 1.384 63.697 62.100 0.354 0.000 1.144 36 T CB -1.147 67.975 68.868 0.424 0.000 0.866 36 T HN 0.394 nan 8.240 nan 0.000 0.434 37 G N 1.165 110.202 108.800 0.395 0.000 2.469 37 G HA2 -0.115 3.828 3.960 -0.028 0.000 0.219 37 G HA3 -0.115 3.828 3.960 -0.028 0.000 0.219 37 G C 1.727 176.778 174.900 0.253 0.000 1.150 37 G CA 1.024 46.315 45.100 0.319 0.000 0.763 37 G HN 0.580 nan 8.290 nan 0.000 0.561 38 G N 0.531 109.479 108.800 0.246 0.000 2.422 38 G HA2 -0.085 3.858 3.960 -0.028 0.000 0.218 38 G HA3 -0.085 3.858 3.960 -0.028 0.000 0.218 38 G C 1.722 176.829 174.900 0.344 0.000 1.146 38 G CA 1.043 46.331 45.100 0.313 0.000 0.769 38 G HN 0.429 nan 8.290 nan 0.000 0.547 39 L N 0.828 122.222 121.223 0.285 0.000 2.044 39 L HA 0.061 4.384 4.340 -0.028 0.000 0.205 39 L C 2.886 179.873 176.870 0.196 0.000 1.075 39 L CA 1.417 56.400 54.840 0.237 0.000 0.747 39 L CB -0.542 41.635 42.059 0.196 0.000 0.903 39 L HN 0.061 nan 8.230 nan 0.000 0.435 40 V N 0.396 120.419 119.914 0.182 0.000 2.407 40 V HA -0.196 3.907 4.120 -0.028 0.000 0.248 40 V C 2.671 178.830 176.094 0.110 0.000 1.055 40 V CA 1.655 64.032 62.300 0.130 0.000 1.049 40 V CB -1.854 30.078 31.823 0.183 0.000 0.662 40 V HN 0.633 nan 8.190 nan 0.000 0.455 41 G N 0.316 109.214 108.800 0.164 0.000 2.476 41 G HA2 -0.310 3.633 3.960 -0.028 0.000 0.218 41 G HA3 -0.310 3.633 3.960 -0.028 0.000 0.218 41 G C 1.597 176.553 174.900 0.094 0.000 1.164 41 G CA 1.385 46.554 45.100 0.114 0.000 0.768 41 G HN 0.473 nan 8.290 nan 0.000 0.560 42 L N 0.710 122.108 121.223 0.292 0.000 2.046 42 L HA 0.022 4.346 4.340 -0.028 0.000 0.208 42 L C 2.696 179.673 176.870 0.179 0.000 1.077 42 L CA 1.427 56.507 54.840 0.400 0.000 0.747 42 L CB -0.406 41.962 42.059 0.515 0.000 0.896 42 L HN 0.305 nan 8.230 nan 0.000 0.432 43 I N -1.132 119.471 120.570 0.055 0.000 2.127 43 I HA -0.332 3.821 4.170 -0.028 0.000 0.241 43 I C 2.695 178.537 176.117 -0.457 0.000 1.075 43 I CA 1.723 62.935 61.300 -0.148 0.000 1.334 43 I CB -0.650 37.241 38.000 -0.181 0.000 1.040 43 I HN 0.345 nan 8.210 nan 0.000 0.405 44 S N 0.206 115.681 115.700 -0.376 0.000 2.382 44 S HA -0.131 4.322 4.470 -0.028 0.000 0.228 44 S C 2.055 176.594 174.600 -0.101 0.000 1.027 44 S CA 1.252 59.260 58.200 -0.321 0.000 0.991 44 S CB -0.212 62.961 63.200 -0.045 0.000 0.823 44 S HN 0.233 nan 8.310 nan 0.000 0.469 45 V N 1.889 121.757 119.914 -0.076 0.000 2.427 45 V HA -0.087 4.016 4.120 -0.028 0.000 0.248 45 V C 2.783 178.810 176.094 -0.111 0.000 1.051 45 V CA 1.578 63.833 62.300 -0.074 0.000 1.048 45 V CB -1.242 30.512 31.823 -0.114 0.000 0.666 45 V HN 0.593 nan 8.190 nan 0.000 0.456 46 A N -0.134 122.649 122.820 -0.062 0.000 1.933 46 A HA -0.178 4.125 4.320 -0.028 0.000 0.218 46 A C 2.037 179.672 177.584 0.085 0.000 1.175 46 A CA 1.642 53.622 52.037 -0.095 0.000 0.628 46 A CB -0.647 18.404 19.000 0.084 0.000 0.814 46 A HN 0.433 nan 8.150 nan 0.000 0.444 47 F N 1.248 121.155 119.950 -0.071 0.000 2.120 47 F HA -0.196 4.315 4.527 -0.028 0.000 0.300 47 F C 3.016 178.725 175.800 -0.152 0.000 1.095 47 F CA 1.591 59.553 58.000 -0.065 0.000 1.249 47 F CB -1.600 37.379 39.000 -0.035 0.000 0.995 47 F HN 0.445 nan 8.300 nan 0.000 0.480 48 T N -2.233 112.277 114.554 -0.074 0.000 2.915 48 T HA -0.091 4.243 4.350 -0.028 0.000 0.269 48 T C 2.073 176.693 174.700 -0.134 0.000 1.071 48 T CA 1.326 63.288 62.100 -0.230 0.000 1.132 48 T CB -0.997 67.654 68.868 -0.362 0.000 0.878 48 T HN 0.071 nan 8.240 nan 0.000 0.479 49 V N 0.288 120.124 119.914 -0.130 0.000 2.358 49 V HA -0.082 4.021 4.120 -0.028 0.000 0.246 49 V C 2.306 178.427 176.094 0.044 0.000 1.047 49 V CA 1.693 63.954 62.300 -0.064 0.000 1.035 49 V CB -0.952 30.670 31.823 -0.336 0.000 0.658 49 V HN 0.513 nan 8.190 nan 0.000 0.452 50 Y N 0.343 120.559 120.300 -0.140 0.000 2.145 50 Y HA -0.241 4.293 4.550 -0.028 0.000 0.286 50 Y C 2.484 178.323 175.900 -0.102 0.000 1.145 50 Y CA 1.696 59.695 58.100 -0.168 0.000 1.148 50 Y CB -0.451 37.914 38.460 -0.158 0.000 0.981 50 Y HN 0.168 nan 8.280 nan 0.000 0.507 51 M N -0.396 119.128 119.600 -0.127 0.000 2.089 51 M HA -0.310 4.153 4.480 -0.028 0.000 0.257 51 M C 2.122 178.484 176.300 0.103 0.000 1.071 51 M CA 1.962 57.197 55.300 -0.109 0.000 1.096 51 M CB -0.308 32.144 32.600 -0.247 0.000 1.330 51 M HN 0.070 nan 8.290 nan 0.000 0.403 52 R N -0.489 120.011 120.500 -0.001 0.000 2.236 52 R HA 0.049 4.373 4.340 -0.028 0.000 0.208 52 R C 1.973 178.288 176.300 0.024 0.000 1.036 52 R CA 0.936 57.011 56.100 -0.041 0.000 1.001 52 R CB -0.343 29.808 30.300 -0.250 0.000 0.896 52 R HN 0.497 nan 8.270 nan 0.000 0.464 53 M N 0.206 119.814 119.600 0.012 0.000 2.099 53 M HA -0.166 4.298 4.480 -0.028 0.000 0.262 53 M C 2.081 178.248 176.300 -0.222 0.000 1.067 53 M CA 1.615 56.807 55.300 -0.180 0.000 1.124 53 M CB -0.167 32.019 32.600 -0.690 0.000 1.353 53 M HN -0.109 nan 8.290 nan 0.000 0.410 54 E N 0.717 120.783 120.200 -0.223 0.000 2.150 54 E HA -0.101 4.232 4.350 -0.028 0.000 0.193 54 E C 1.616 178.293 176.600 0.128 0.000 0.985 54 E CA 1.189 57.628 56.400 0.066 0.000 0.814 54 E CB -0.235 29.523 29.700 0.097 0.000 0.752 54 E HN 0.475 nan 8.360 nan 0.000 0.466 55 L N 0.060 121.371 121.223 0.146 0.000 2.554 55 L HA 0.116 4.440 4.340 -0.028 0.000 0.226 55 L C 2.285 179.301 176.870 0.242 0.000 1.137 55 L CA 0.116 55.080 54.840 0.206 0.000 0.863 55 L CB -0.270 41.864 42.059 0.126 0.000 0.985 55 L HN 0.276 nan 8.230 nan 0.000 0.451 56 M N 0.281 119.993 119.600 0.187 0.000 2.149 56 M HA -0.095 4.369 4.480 -0.028 0.000 0.261 56 M C 0.756 177.275 176.300 0.364 0.000 1.064 56 M CA 1.514 56.947 55.300 0.221 0.000 1.102 56 M CB 0.188 32.929 32.600 0.235 0.000 1.369 56 M HN 0.235 nan 8.290 nan 0.000 0.408 57 A N 0.493 123.497 122.820 0.306 0.000 2.449 57 A HA 0.709 5.012 4.320 -0.028 0.000 0.302 57 A C -2.662 174.924 177.584 0.002 0.000 1.048 57 A CA -1.600 50.570 52.037 0.222 0.000 0.708 57 A CB 0.802 19.899 19.000 0.161 0.000 1.274 57 A HN 0.166 nan 8.150 nan 0.000 0.410 58 P HA 0.417 nan 4.420 nan 0.000 0.269 58 P C 0.487 177.621 177.300 -0.277 0.000 1.215 58 P CA 1.406 64.173 63.100 -0.554 0.000 0.780 58 P CB 0.680 32.177 31.700 -0.339 0.000 0.898 59 G N 0.056 108.682 108.800 -0.290 0.000 2.721 59 G HA2 -0.063 3.880 3.960 -0.028 0.000 0.686 59 G HA3 -0.063 3.880 3.960 -0.028 0.000 0.686 59 G C -1.056 173.759 174.900 -0.143 0.000 1.236 59 G CA -0.743 44.255 45.100 -0.170 0.000 0.786 59 G HN 0.443 nan 8.290 nan 0.000 0.616 60 V N 2.155 122.006 119.914 -0.106 0.000 2.407 60 V HA 0.518 4.621 4.120 -0.028 0.000 0.278 60 V C 0.836 176.897 176.094 -0.054 0.000 1.037 60 V CA 0.321 62.585 62.300 -0.059 0.000 0.900 60 V CB 1.454 33.247 31.823 -0.050 0.000 0.983 60 V HN 0.869 nan 8.190 nan 0.000 0.459 61 Q N 2.361 122.134 119.800 -0.045 0.000 2.245 61 Q HA 0.357 4.680 4.340 -0.028 0.000 0.250 61 Q C 0.747 176.538 176.000 -0.349 0.000 0.830 61 Q CA 0.414 56.077 55.803 -0.234 0.000 0.950 61 Q CB 0.605 29.110 28.738 -0.388 0.000 1.124 61 Q HN 0.801 nan 8.270 nan 0.000 0.502 62 F N -0.928 119.065 119.950 0.072 0.000 2.577 62 F HA 0.317 4.827 4.527 -0.027 0.000 0.276 62 F C 0.778 176.736 175.800 0.262 0.000 1.032 62 F CA 0.091 58.195 58.000 0.173 0.000 1.297 62 F CB 0.528 39.566 39.000 0.063 0.000 1.061 62 F HN -0.118 nan 8.300 nan 0.000 0.680 63 M N 1.671 121.471 119.600 0.334 0.000 3.561 63 M HA 0.201 4.664 4.480 -0.028 0.000 0.230 63 M C -1.127 175.256 176.300 0.139 0.000 1.387 63 M CA -0.210 55.260 55.300 0.284 0.000 1.570 63 M CB -0.429 32.318 32.600 0.245 0.000 1.057 63 M HN 0.059 nan 8.290 nan 0.000 0.607 64 c N 0.673 119.290 118.600 0.029 0.000 2.369 64 c HA 0.467 5.021 4.570 -0.028 0.000 0.358 64 c C 1.933 175.917 174.090 -0.177 0.000 1.274 64 c CA -0.667 55.543 56.329 -0.199 0.000 1.935 64 c CB 0.627 42.823 42.510 -0.524 0.000 2.431 64 c HN 0.893 nan 8.230 nan 0.000 0.545 65 A N 1.896 124.667 122.820 -0.082 0.000 2.024 65 A HA -0.155 4.149 4.320 -0.028 0.000 0.220 65 A C 1.862 179.421 177.584 -0.041 0.000 1.164 65 A CA 1.660 53.682 52.037 -0.026 0.000 0.643 65 A CB -0.371 18.623 19.000 -0.009 0.000 0.806 65 A HN 0.924 nan 8.150 nan 0.000 0.451 66 E N -0.335 119.789 120.200 -0.126 0.000 2.209 66 E HA -0.173 4.161 4.350 -0.028 0.000 0.196 66 E C 1.528 178.146 176.600 0.030 0.000 0.993 66 E CA 1.221 57.575 56.400 -0.076 0.000 0.819 66 E CB -0.317 29.318 29.700 -0.108 0.000 0.745 66 E HN 0.728 nan 8.360 nan 0.000 0.477 67 H N -0.494 118.626 119.070 0.083 0.000 2.546 67 H HA 0.059 4.599 4.556 -0.028 0.000 0.277 67 H C 1.725 177.111 175.328 0.096 0.000 1.004 67 H CA 0.559 56.666 56.048 0.098 0.000 1.231 67 H CB -0.109 29.725 29.762 0.119 0.000 1.382 67 H HN 0.205 nan 8.280 nan 0.000 0.580 68 L N 0.025 121.354 121.223 0.176 0.000 2.156 68 L HA -0.078 4.245 4.340 -0.028 0.000 0.208 68 L C 2.027 178.962 176.870 0.109 0.000 1.095 68 L CA 0.973 55.892 54.840 0.132 0.000 0.770 68 L CB -0.152 41.964 42.059 0.094 0.000 0.914 68 L HN 0.145 nan 8.230 nan 0.000 0.439 69 E N -0.375 119.885 120.200 0.099 0.000 2.347 69 E HA -0.029 4.304 4.350 -0.028 0.000 0.196 69 E C 0.892 177.544 176.600 0.086 0.000 1.008 69 E CA 0.114 56.561 56.400 0.079 0.000 0.852 69 E CB 0.249 29.987 29.700 0.063 0.000 0.783 69 E HN 0.400 nan 8.360 nan 0.000 0.505 70 S N -0.230 115.537 115.700 0.112 0.000 2.625 70 S HA 0.350 4.803 4.470 -0.028 0.000 0.262 70 S C 0.747 175.410 174.600 0.105 0.000 1.223 70 S CA -0.543 57.722 58.200 0.107 0.000 0.993 70 S CB 0.665 63.943 63.200 0.128 0.000 1.051 70 S HN 0.285 nan 8.310 nan 0.000 0.562 71 G N -0.564 108.297 108.800 0.102 0.000 2.631 71 G HA2 0.302 4.245 3.960 -0.028 0.000 0.271 71 G HA3 0.302 4.245 3.960 -0.028 0.000 0.271 71 G C 0.622 175.600 174.900 0.130 0.000 1.302 71 G CA -0.417 44.744 45.100 0.101 0.000 1.002 71 G HN 0.504 nan 8.290 nan 0.000 0.519 72 L N -0.487 120.810 121.223 0.124 0.000 2.179 72 L HA 0.048 4.371 4.340 -0.028 0.000 0.208 72 L C 2.703 179.683 176.870 0.184 0.000 1.096 72 L CA 1.237 56.169 54.840 0.154 0.000 0.779 72 L CB -0.067 42.068 42.059 0.128 0.000 0.922 72 L HN 0.282 nan 8.230 nan 0.000 0.443 73 V N 0.249 120.261 119.914 0.164 0.000 2.331 73 V HA -0.195 3.908 4.120 -0.028 0.000 0.242 73 V C 2.458 178.782 176.094 0.384 0.000 1.034 73 V CA 1.837 64.274 62.300 0.228 0.000 1.027 73 V CB -0.709 31.211 31.823 0.162 0.000 0.667 73 V HN 0.525 nan 8.190 nan 0.000 0.457 74 K N 1.144 121.700 120.400 0.261 0.000 2.148 74 K HA -0.043 4.261 4.320 -0.028 0.000 0.204 74 K C 2.177 178.906 176.600 0.214 0.000 1.050 74 K CA 1.675 58.104 56.287 0.237 0.000 0.942 74 K CB -0.800 31.774 32.500 0.125 0.000 0.724 74 K HN 0.403 nan 8.250 nan 0.000 0.446 75 G N 1.460 110.374 108.800 0.190 0.000 2.422 75 G HA2 -0.273 3.671 3.960 -0.028 0.000 0.218 75 G HA3 -0.273 3.671 3.960 -0.028 0.000 0.218 75 G C 1.307 176.269 174.900 0.103 0.000 1.146 75 G CA 0.580 45.767 45.100 0.146 0.000 0.769 75 G HN 0.384 nan 8.290 nan 0.000 0.547 76 F N 0.731 120.698 119.950 0.030 0.000 2.069 76 F HA 0.015 4.526 4.527 -0.028 0.000 0.298 76 F C 2.228 177.948 175.800 -0.134 0.000 1.113 76 F CA 1.422 59.373 58.000 -0.082 0.000 1.214 76 F CB -0.242 38.691 39.000 -0.112 0.000 0.978 76 F HN 0.105 nan 8.300 nan 0.000 0.474 77 F N 0.896 120.835 119.950 -0.018 0.000 2.234 77 F HA -0.136 4.375 4.527 -0.028 0.000 0.299 77 F C 2.573 178.289 175.800 -0.139 0.000 1.087 77 F CA 1.573 59.508 58.000 -0.108 0.000 1.340 77 F CB -0.811 38.240 39.000 0.085 0.000 1.031 77 F HN 0.048 nan 8.300 nan 0.000 0.500 78 Q N -0.552 119.248 119.800 0.000 0.000 2.084 78 Q HA -0.174 4.149 4.340 -0.028 0.000 0.202 78 Q C 2.339 178.113 176.000 -0.378 0.000 0.978 78 Q CA 1.723 57.414 55.803 -0.186 0.000 0.844 78 Q CB -0.351 28.198 28.738 -0.315 0.000 0.898 78 Q HN 0.253 nan 8.270 nan 0.000 0.426 79 S N 0.781 116.209 115.700 -0.453 0.000 2.419 79 S HA -0.093 4.360 4.470 -0.028 0.000 0.235 79 S C 1.725 176.457 174.600 0.220 0.000 1.019 79 S CA 0.849 58.974 58.200 -0.125 0.000 0.982 79 S CB -0.072 63.060 63.200 -0.114 0.000 0.789 79 S HN 0.308 nan 8.310 nan 0.000 0.490 80 L N -0.834 120.415 121.223 0.044 0.000 2.446 80 L HA 0.151 4.474 4.340 -0.028 0.000 0.219 80 L C 0.776 177.940 176.870 0.491 0.000 1.116 80 L CA 0.120 55.070 54.840 0.183 0.000 0.844 80 L CB 0.038 42.039 42.059 -0.097 0.000 0.970 80 L HN 0.394 nan 8.230 nan 0.000 0.457 81 W N 3.011 124.448 121.300 0.228 0.000 2.520 81 W HA 0.308 4.952 4.660 -0.027 0.000 0.323 81 W C -2.310 174.198 176.519 -0.019 0.000 1.062 81 W CA -1.935 55.512 57.345 0.170 0.000 1.215 81 W CB 1.866 31.375 29.460 0.083 0.000 1.340 81 W HN -0.241 nan 8.180 nan 0.000 0.516 82 P HA 0.080 nan 4.420 nan 0.000 0.276 82 P C -0.583 176.565 177.300 -0.253 0.000 1.230 82 P CA 0.183 62.810 63.100 -0.788 0.000 0.776 82 P CB 1.478 32.715 31.700 -0.773 0.000 0.888 83 S N 0.973 116.536 115.700 -0.228 0.000 2.651 83 S HA 0.608 5.061 4.470 -0.028 0.000 0.291 83 S C 0.173 174.716 174.600 -0.096 0.000 1.141 83 S CA -0.576 57.585 58.200 -0.065 0.000 1.027 83 S CB 1.269 64.461 63.200 -0.013 0.000 1.043 83 S HN 0.648 nan 8.310 nan 0.000 0.530 84 A N 1.234 124.027 122.820 -0.044 0.000 2.483 84 A HA 0.265 4.569 4.320 -0.028 0.000 0.238 84 A C 1.381 178.932 177.584 -0.055 0.000 1.070 84 A CA -0.395 51.614 52.037 -0.045 0.000 0.770 84 A CB -0.147 18.840 19.000 -0.021 0.000 1.008 84 A HN 0.691 nan 8.150 nan 0.000 0.497 85 V N 1.922 121.802 119.914 -0.058 0.000 2.324 85 V HA -0.234 3.870 4.120 -0.028 0.000 0.250 85 V C 2.477 178.544 176.094 -0.046 0.000 1.060 85 V CA 2.428 64.694 62.300 -0.058 0.000 1.042 85 V CB -0.897 30.892 31.823 -0.057 0.000 0.650 85 V HN 1.009 nan 8.190 nan 0.000 0.450 86 E N 0.034 120.213 120.200 -0.036 0.000 2.418 86 E HA -0.155 4.178 4.350 -0.028 0.000 0.197 86 E C 1.057 177.642 176.600 -0.025 0.000 1.026 86 E CA 0.795 57.178 56.400 -0.028 0.000 0.862 86 E CB -0.484 29.203 29.700 -0.021 0.000 0.799 86 E HN 0.610 nan 8.360 nan 0.000 0.518 87 N N 0.137 118.822 118.700 -0.027 0.000 2.236 87 N HA 0.040 4.763 4.740 -0.028 0.000 0.196 87 N C -0.575 174.908 175.510 -0.045 0.000 1.114 87 N CA 0.022 53.057 53.050 -0.023 0.000 0.859 87 N CB 0.587 39.071 38.487 -0.005 0.000 0.982 87 N HN 0.088 nan 8.380 nan 0.000 0.493 88 c N 1.744 120.309 118.600 -0.057 0.000 2.321 88 c HA 0.387 4.941 4.570 -0.028 0.000 0.323 88 c C 0.040 174.088 174.090 -0.069 0.000 1.191 88 c CA -0.368 55.911 56.329 -0.083 0.000 1.455 88 c CB -0.926 41.535 42.510 -0.081 0.000 2.083 88 c HN 0.150 nan 8.230 nan 0.000 0.442 89 T N 8.782 123.293 114.554 -0.072 0.000 2.737 89 T HA 0.252 4.585 4.350 -0.028 0.000 0.296 89 T C -2.438 172.238 174.700 -0.041 0.000 0.922 89 T CA -0.299 61.772 62.100 -0.049 0.000 1.079 89 T CB 0.650 69.494 68.868 -0.040 0.000 0.892 89 T HN 0.557 nan 8.240 nan 0.000 0.514 90 P HA 0.064 nan 4.420 nan 0.000 0.262 90 P C -0.192 177.113 177.300 0.009 0.000 1.182 90 P CA -0.104 62.984 63.100 -0.019 0.000 0.761 90 P CB 0.315 31.991 31.700 -0.040 0.000 0.795 91 N N 2.271 120.999 118.700 0.047 0.000 2.800 91 N HA 0.207 4.931 4.740 -0.028 0.000 0.240 91 N C 1.398 176.989 175.510 0.135 0.000 1.096 91 N CA -0.322 52.782 53.050 0.089 0.000 0.877 91 N CB -0.084 38.469 38.487 0.109 0.000 1.138 91 N HN 0.357 nan 8.380 nan 0.000 0.509 92 G N 0.713 109.580 108.800 0.111 0.000 2.462 92 G HA2 -0.289 3.655 3.960 -0.028 0.000 0.220 92 G HA3 -0.289 3.655 3.960 -0.028 0.000 0.220 92 G C 1.241 176.266 174.900 0.208 0.000 1.121 92 G CA 0.854 46.038 45.100 0.139 0.000 0.758 92 G HN 0.710 nan 8.290 nan 0.000 0.559 93 H N -0.231 118.900 119.070 0.102 0.000 2.357 93 H HA 0.027 4.567 4.556 -0.027 0.000 0.301 93 H C 2.311 177.693 175.328 0.089 0.000 1.082 93 H CA 1.342 57.441 56.048 0.084 0.000 1.342 93 H CB -0.125 29.665 29.762 0.046 0.000 1.389 93 H HN 0.227 nan 8.280 nan 0.000 0.511 94 L N 0.024 121.312 121.223 0.108 0.000 2.017 94 L HA -0.165 4.159 4.340 -0.028 0.000 0.208 94 L C 2.391 179.275 176.870 0.023 0.000 1.073 94 L CA 1.933 56.801 54.840 0.048 0.000 0.745 94 L CB -1.079 41.073 42.059 0.155 0.000 0.894 94 L HN 0.541 nan 8.230 nan 0.000 0.432 95 W N 0.671 121.960 121.300 -0.018 0.000 2.317 95 W HA -0.317 4.326 4.660 -0.028 0.000 0.318 95 W C 2.187 178.691 176.519 -0.025 0.000 1.227 95 W CA 2.105 59.444 57.345 -0.010 0.000 1.269 95 W CB -0.479 28.992 29.460 0.017 0.000 1.155 95 W HN 0.348 nan 8.180 nan 0.000 0.484 96 N N 0.484 119.244 118.700 0.099 0.000 2.149 96 N HA -0.171 4.553 4.740 -0.028 0.000 0.188 96 N C 1.716 177.122 175.510 -0.173 0.000 1.019 96 N CA 2.014 55.063 53.050 -0.001 0.000 0.857 96 N CB -1.002 37.508 38.487 0.038 0.000 0.997 96 N HN 0.081 nan 8.380 nan 0.000 0.426 97 V N 1.467 121.206 119.914 -0.291 0.000 2.307 97 V HA -0.177 3.926 4.120 -0.028 0.000 0.245 97 V C 2.377 178.324 176.094 -0.245 0.000 1.045 97 V CA 1.194 63.321 62.300 -0.288 0.000 1.024 97 V CB -0.366 31.244 31.823 -0.355 0.000 0.651 97 V HN 0.227 nan 8.190 nan 0.000 0.449 98 M N -0.858 118.545 119.600 -0.328 0.000 2.080 98 M HA -0.176 4.288 4.480 -0.028 0.000 0.260 98 M C 2.237 178.415 176.300 -0.204 0.000 1.068 98 M CA 1.980 57.049 55.300 -0.385 0.000 1.109 98 M CB -1.216 31.109 32.600 -0.457 0.000 1.342 98 M HN 0.268 nan 8.290 nan 0.000 0.405 99 I N 0.486 120.866 120.570 -0.317 0.000 2.226 99 I HA -0.231 3.922 4.170 -0.028 0.000 0.245 99 I C 2.416 178.571 176.117 0.063 0.000 1.100 99 I CA 1.603 62.822 61.300 -0.135 0.000 1.374 99 I CB -0.828 37.040 38.000 -0.220 0.000 1.057 99 I HN 0.309 nan 8.210 nan 0.000 0.413 100 T N -0.278 114.295 114.554 0.033 0.000 2.777 100 T HA -0.082 4.251 4.350 -0.028 0.000 0.266 100 T C 1.931 176.726 174.700 0.157 0.000 1.040 100 T CA 1.338 63.501 62.100 0.104 0.000 1.141 100 T CB -0.883 68.013 68.868 0.047 0.000 0.868 100 T HN 0.517 nan 8.240 nan 0.000 0.444 101 G N 0.871 109.765 108.800 0.157 0.000 2.421 101 G HA2 -0.296 3.648 3.960 -0.028 0.000 0.216 101 G HA3 -0.296 3.648 3.960 -0.028 0.000 0.216 101 G C 1.312 176.435 174.900 0.372 0.000 1.171 101 G CA 1.284 46.563 45.100 0.298 0.000 0.775 101 G HN 0.607 nan 8.290 nan 0.000 0.543 102 H N 0.941 120.206 119.070 0.326 0.000 2.289 102 H HA -0.050 4.489 4.556 -0.028 0.000 0.296 102 H C 2.624 177.988 175.328 0.060 0.000 1.091 102 H CA 2.381 58.544 56.048 0.191 0.000 1.274 102 H CB -0.779 29.084 29.762 0.170 0.000 1.364 102 H HN 0.221 nan 8.280 nan 0.000 0.490 103 G N 0.305 108.976 108.800 -0.214 0.000 2.404 103 G HA2 -0.176 3.768 3.960 -0.028 0.000 0.215 103 G HA3 -0.176 3.768 3.960 -0.028 0.000 0.215 103 G C 1.955 176.711 174.900 -0.241 0.000 1.174 103 G CA 0.965 45.817 45.100 -0.413 0.000 0.780 103 G HN 0.489 nan 8.290 nan 0.000 0.537 104 I N 0.400 121.047 120.570 0.129 0.000 2.226 104 I HA -0.115 4.039 4.170 -0.028 0.000 0.245 104 I C 2.729 179.057 176.117 0.352 0.000 1.100 104 I CA 0.572 62.089 61.300 0.361 0.000 1.374 104 I CB -0.183 38.068 38.000 0.419 0.000 1.057 104 I HN 0.129 nan 8.210 nan 0.000 0.413 105 L N -0.469 120.920 121.223 0.277 0.000 1.989 105 L HA -0.260 4.064 4.340 -0.028 0.000 0.211 105 L C 2.743 179.698 176.870 0.140 0.000 1.071 105 L CA 1.231 56.260 54.840 0.315 0.000 0.749 105 L CB -0.540 41.605 42.059 0.143 0.000 0.890 105 L HN 0.274 nan 8.230 nan 0.000 0.431 106 M N -1.058 118.486 119.600 -0.093 0.000 2.065 106 M HA -0.213 4.250 4.480 -0.028 0.000 0.259 106 M C 2.310 178.417 176.300 -0.321 0.000 1.069 106 M CA 1.894 57.060 55.300 -0.223 0.000 1.110 106 M CB -0.872 31.489 32.600 -0.397 0.000 1.328 106 M HN 0.252 nan 8.290 nan 0.000 0.405 107 M N -1.667 117.630 119.600 -0.505 0.000 2.288 107 M HA -0.031 4.432 4.480 -0.028 0.000 0.266 107 M C 1.822 177.654 176.300 -0.781 0.000 1.072 107 M CA 1.351 56.182 55.300 -0.781 0.000 1.132 107 M CB -0.982 30.843 32.600 -1.291 0.000 1.386 107 M HN 0.133 nan 8.290 nan 0.000 0.432 108 F N -2.165 117.592 119.950 -0.322 0.000 2.653 108 F HA 0.150 4.661 4.527 -0.027 0.000 0.288 108 F C 1.131 176.520 175.800 -0.687 0.000 1.121 108 F CA 0.219 57.866 58.000 -0.590 0.000 1.384 108 F CB 0.102 38.542 39.000 -0.935 0.000 1.115 108 F HN -0.092 nan 8.300 nan 0.000 0.599 109 F N -1.847 118.246 119.950 0.237 0.000 2.781 109 F HA 0.323 4.833 4.527 -0.028 0.000 0.322 109 F C 0.959 176.911 175.800 0.253 0.000 1.108 109 F CA -0.190 58.018 58.000 0.347 0.000 1.179 109 F CB -0.101 39.108 39.000 0.348 0.000 1.072 109 F HN -0.286 nan 8.300 nan 0.000 0.545 110 V N -1.198 118.823 119.914 0.179 0.000 3.668 110 V HA -0.012 4.091 4.120 -0.028 0.000 0.199 110 V C 1.992 178.097 176.094 0.019 0.000 1.241 110 V CA 0.878 63.248 62.300 0.117 0.000 1.308 110 V CB -0.080 31.778 31.823 0.058 0.000 1.411 110 V HN -0.042 nan 8.190 nan 0.000 0.535 111 V N -0.745 119.129 119.914 -0.067 0.000 2.453 111 V HA -0.067 4.037 4.120 -0.028 0.000 0.247 111 V C 2.113 178.166 176.094 -0.067 0.000 1.048 111 V CA 1.875 64.124 62.300 -0.085 0.000 1.049 111 V CB -0.733 31.005 31.823 -0.141 0.000 0.672 111 V HN 0.467 nan 8.190 nan 0.000 0.457 112 I N 0.552 121.059 120.570 -0.106 0.000 2.233 112 I HA -0.037 4.117 4.170 -0.028 0.000 0.243 112 I C 0.012 176.101 176.117 -0.047 0.000 1.093 112 I CA 1.327 62.577 61.300 -0.083 0.000 1.380 112 I CB -1.523 36.382 38.000 -0.158 0.000 1.067 112 I HN 0.320 nan 8.210 nan 0.000 0.413 113 P HA -0.199 nan 4.420 nan 0.000 0.216 113 P C 1.432 178.697 177.300 -0.058 0.000 1.150 113 P CA 1.858 64.859 63.100 -0.165 0.000 0.843 113 P CB -0.009 31.474 31.700 -0.361 0.000 0.787 114 A N -1.151 121.663 122.820 -0.009 0.000 1.872 114 A HA -0.111 4.192 4.320 -0.028 0.000 0.214 114 A C 2.188 179.762 177.584 -0.017 0.000 1.187 114 A CA 1.352 53.369 52.037 -0.034 0.000 0.614 114 A CB -1.458 17.531 19.000 -0.018 0.000 0.826 114 A HN 0.105 nan 8.150 nan 0.000 0.442 115 L N -2.757 118.532 121.223 0.111 0.000 2.084 115 L HA 0.025 4.348 4.340 -0.028 0.000 0.202 115 L C 2.434 179.499 176.870 0.325 0.000 1.074 115 L CA 1.271 56.293 54.840 0.303 0.000 0.757 115 L CB -0.444 41.761 42.059 0.243 0.000 0.918 115 L HN 0.467 nan 8.230 nan 0.000 0.444 116 F N 0.431 120.391 119.950 0.016 0.000 2.123 116 F HA 0.062 4.572 4.527 -0.028 0.000 0.289 116 F C 2.227 177.926 175.800 -0.168 0.000 1.099 116 F CA 1.431 59.402 58.000 -0.048 0.000 1.234 116 F CB -0.571 38.365 39.000 -0.106 0.000 1.034 116 F HN -0.059 nan 8.300 nan 0.000 0.479 117 G N -0.730 107.895 108.800 -0.291 0.000 2.448 117 G HA2 -0.000 3.943 3.960 -0.028 0.000 0.218 117 G HA3 -0.000 3.943 3.960 -0.028 0.000 0.218 117 G C 1.630 176.181 174.900 -0.582 0.000 1.135 117 G CA 0.695 45.224 45.100 -0.953 0.000 0.784 117 G HN 0.626 nan 8.290 nan 0.000 0.543 118 G N 0.396 109.058 108.800 -0.231 0.000 2.695 118 G HA2 0.181 4.124 3.960 -0.028 0.000 0.219 118 G HA3 0.181 4.124 3.960 -0.028 0.000 0.219 118 G C 1.351 176.203 174.900 -0.080 0.000 1.295 118 G CA 0.223 45.235 45.100 -0.146 0.000 0.882 118 G HN 0.163 nan 8.290 nan 0.000 0.570 119 F N 2.146 122.185 119.950 0.148 0.000 2.186 119 F HA 0.090 4.601 4.527 -0.027 0.000 0.299 119 F C 2.869 178.892 175.800 0.372 0.000 1.090 119 F CA 0.672 58.817 58.000 0.241 0.000 1.307 119 F CB -0.887 38.265 39.000 0.253 0.000 1.019 119 F HN 0.210 nan 8.300 nan 0.000 0.489 120 G N 0.301 109.382 108.800 0.469 0.000 2.514 120 G HA2 -0.310 3.634 3.960 -0.028 0.000 0.217 120 G HA3 -0.310 3.634 3.960 -0.028 0.000 0.217 120 G C 1.774 176.681 174.900 0.011 0.000 1.198 120 G CA 1.156 46.344 45.100 0.146 0.000 0.780 120 G HN 0.250 nan 8.290 nan 0.000 0.565 121 N N -0.503 118.140 118.700 -0.095 0.000 2.104 121 N HA -0.118 4.605 4.740 -0.028 0.000 0.190 121 N C 1.886 177.430 175.510 0.056 0.000 1.024 121 N CA 1.145 54.160 53.050 -0.057 0.000 0.853 121 N CB -0.415 38.038 38.487 -0.057 0.000 1.008 121 N HN 0.436 nan 8.380 nan 0.000 0.424 122 Y N 0.073 120.310 120.300 -0.106 0.000 2.109 122 Y HA -0.130 4.404 4.550 -0.027 0.000 0.285 122 Y C 1.803 177.433 175.900 -0.451 0.000 1.131 122 Y CA 1.690 59.574 58.100 -0.359 0.000 1.121 122 Y CB -0.395 37.665 38.460 -0.667 0.000 0.987 122 Y HN -0.069 nan 8.280 nan 0.000 0.495 123 F N -2.033 117.950 119.950 0.055 0.000 2.530 123 F HA -0.050 4.461 4.527 -0.026 0.000 0.292 123 F C 2.330 177.968 175.800 -0.270 0.000 1.109 123 F CA 0.411 58.235 58.000 -0.293 0.000 1.450 123 F CB -0.437 38.036 39.000 -0.877 0.000 1.114 123 F HN 0.040 nan 8.300 nan 0.000 0.560 124 M N 1.397 121.104 119.600 0.179 0.000 2.065 124 M HA -0.122 4.341 4.480 -0.028 0.000 0.259 124 M C -0.944 175.369 176.300 0.022 0.000 1.069 124 M CA 2.305 57.703 55.300 0.162 0.000 1.110 124 M CB -1.692 30.960 32.600 0.087 0.000 1.328 124 M HN -0.076 nan 8.290 nan 0.000 0.405 125 P HA -0.110 nan 4.420 nan 0.000 0.216 125 P C 1.860 179.090 177.300 -0.117 0.000 1.153 125 P CA 1.232 64.167 63.100 -0.274 0.000 0.848 125 P CB -0.270 30.985 31.700 -0.742 0.000 0.787 126 L N -1.465 119.764 121.223 0.010 0.000 2.042 126 L HA -0.247 4.076 4.340 -0.028 0.000 0.210 126 L C 2.508 179.539 176.870 0.269 0.000 1.076 126 L CA 1.844 56.824 54.840 0.234 0.000 0.749 126 L CB -1.241 40.916 42.059 0.162 0.000 0.893 126 L HN 0.188 nan 8.230 nan 0.000 0.432 127 H N -0.182 119.020 119.070 0.221 0.000 2.423 127 H HA -0.088 4.451 4.556 -0.028 0.000 0.297 127 H C 2.072 177.440 175.328 0.067 0.000 1.075 127 H CA 1.284 57.474 56.048 0.237 0.000 1.342 127 H CB 0.116 30.113 29.762 0.391 0.000 1.395 127 H HN 0.475 nan 8.280 nan 0.000 0.530 128 I N -3.392 117.203 120.570 0.043 0.000 3.956 128 I HA 0.384 4.537 4.170 -0.028 0.000 0.333 128 I C 1.171 177.104 176.117 -0.307 0.000 1.302 128 I CA 0.388 61.589 61.300 -0.166 0.000 1.122 128 I CB 0.684 38.502 38.000 -0.304 0.000 1.013 128 I HN 0.146 nan 8.210 nan 0.000 0.405 129 G N 1.848 110.387 108.800 -0.436 0.000 2.198 129 G HA2 -0.165 3.778 3.960 -0.028 0.000 0.257 129 G HA3 -0.165 3.778 3.960 -0.028 0.000 0.257 129 G C 0.204 174.504 174.900 -0.999 0.000 1.042 129 G CA 0.077 44.559 45.100 -1.029 0.000 0.791 129 G HN 0.946 nan 8.290 nan 0.000 0.502 130 A N -0.196 122.254 122.820 -0.618 0.000 2.301 130 A HA 0.846 5.150 4.320 -0.028 0.000 0.312 130 A C -0.508 176.975 177.584 -0.169 0.000 1.182 130 A CA -1.100 50.715 52.037 -0.370 0.000 0.826 130 A CB 1.252 20.076 19.000 -0.292 0.000 1.134 130 A HN 0.056 nan 8.150 nan 0.000 0.501 131 P HA 0.041 nan 4.420 nan 0.000 0.222 131 P C 0.002 177.327 177.300 0.041 0.000 1.153 131 P CA 1.200 64.398 63.100 0.164 0.000 0.798 131 P CB 0.389 32.158 31.700 0.115 0.000 0.796 132 D N -3.485 116.850 120.400 -0.108 0.000 2.779 132 D HA 0.242 4.866 4.640 -0.028 0.000 0.331 132 D C -0.726 175.439 176.300 -0.225 0.000 1.331 132 D CA -0.520 53.395 54.000 -0.141 0.000 0.866 132 D CB 0.695 41.487 40.800 -0.013 0.000 1.409 132 D HN -0.347 nan 8.370 nan 0.000 0.486 133 M N 1.050 120.553 119.600 -0.162 0.000 2.228 133 M HA 0.354 4.818 4.480 -0.028 0.000 0.326 133 M C 1.342 177.538 176.300 -0.172 0.000 1.122 133 M CA -0.142 55.073 55.300 -0.141 0.000 1.161 133 M CB 0.672 33.240 32.600 -0.054 0.000 1.437 133 M HN 0.611 nan 8.290 nan 0.000 0.465 134 A N 2.224 124.886 122.820 -0.263 0.000 1.917 134 A HA -0.124 4.179 4.320 -0.028 0.000 0.219 134 A C 0.573 177.717 177.584 -0.732 0.000 1.182 134 A CA 1.761 53.451 52.037 -0.578 0.000 0.633 134 A CB -0.413 18.102 19.000 -0.809 0.000 0.819 134 A HN 0.630 nan 8.150 nan 0.000 0.448 135 F N -1.482 118.472 119.950 0.006 0.000 2.550 135 F HA 0.376 4.887 4.527 -0.028 0.000 0.348 135 F C -2.077 173.741 175.800 0.030 0.000 1.219 135 F CA -2.240 55.773 58.000 0.021 0.000 1.203 135 F CB 1.181 40.199 39.000 0.029 0.000 1.436 135 F HN 0.006 nan 8.300 nan 0.000 0.541 136 P HA -0.143 nan 4.420 nan 0.000 0.216 136 P C 1.499 178.871 177.300 0.120 0.000 1.150 136 P CA 1.640 64.797 63.100 0.094 0.000 0.837 136 P CB 0.223 31.952 31.700 0.048 0.000 0.786 137 R N -1.371 119.211 120.500 0.137 0.000 2.115 137 R HA 0.034 4.357 4.340 -0.028 0.000 0.226 137 R C 2.407 178.802 176.300 0.159 0.000 1.100 137 R CA 1.037 57.218 56.100 0.135 0.000 0.980 137 R CB -0.739 29.630 30.300 0.115 0.000 0.875 137 R HN 0.238 nan 8.270 nan 0.000 0.445 138 M N 1.037 120.741 119.600 0.172 0.000 2.117 138 M HA -0.177 4.286 4.480 -0.028 0.000 0.262 138 M C 1.817 178.229 176.300 0.187 0.000 1.065 138 M CA 1.630 57.024 55.300 0.158 0.000 1.114 138 M CB -0.128 32.552 32.600 0.134 0.000 1.361 138 M HN 0.023 nan 8.290 nan 0.000 0.408 139 N N 1.029 119.844 118.700 0.191 0.000 2.104 139 N HA -0.220 4.504 4.740 -0.028 0.000 0.190 139 N C 1.327 176.973 175.510 0.226 0.000 1.024 139 N CA 1.975 55.141 53.050 0.193 0.000 0.853 139 N CB -0.541 38.033 38.487 0.144 0.000 1.008 139 N HN 0.514 nan 8.380 nan 0.000 0.424 140 N N -0.405 118.416 118.700 0.201 0.000 2.188 140 N HA -0.106 4.617 4.740 -0.028 0.000 0.184 140 N C 1.650 177.374 175.510 0.358 0.000 1.018 140 N CA 0.721 53.913 53.050 0.235 0.000 0.858 140 N CB -0.288 38.332 38.487 0.223 0.000 0.989 140 N HN 0.195 nan 8.380 nan 0.000 0.426 141 L N 0.591 122.009 121.223 0.325 0.000 2.046 141 L HA -0.091 4.233 4.340 -0.028 0.000 0.208 141 L C 2.353 179.419 176.870 0.327 0.000 1.077 141 L CA 2.077 57.122 54.840 0.341 0.000 0.747 141 L CB -1.274 40.922 42.059 0.227 0.000 0.896 141 L HN 0.386 nan 8.230 nan 0.000 0.432 142 S N -1.243 114.638 115.700 0.301 0.000 2.374 142 S HA -0.361 4.093 4.470 -0.028 0.000 0.227 142 S C 2.175 177.007 174.600 0.388 0.000 1.037 142 S CA 1.696 60.100 58.200 0.340 0.000 1.024 142 S CB -1.361 62.053 63.200 0.357 0.000 0.861 142 S HN 0.629 nan 8.310 nan 0.000 0.456 143 Y N 0.692 121.091 120.300 0.164 0.000 2.200 143 Y HA -0.023 4.511 4.550 -0.028 0.000 0.290 143 Y C 1.950 177.771 175.900 -0.132 0.000 1.137 143 Y CA 1.319 59.299 58.100 -0.200 0.000 1.163 143 Y CB -0.692 37.448 38.460 -0.534 0.000 0.988 143 Y HN 0.326 nan 8.280 nan 0.000 0.518 144 W N 0.216 121.552 121.300 0.060 0.000 2.388 144 W HA -0.140 4.504 4.660 -0.027 0.000 0.294 144 W C 2.179 178.678 176.519 -0.034 0.000 1.212 144 W CA 1.083 58.409 57.345 -0.031 0.000 1.271 144 W CB -0.332 29.186 29.460 0.096 0.000 1.126 144 W HN 0.046 nan 8.180 nan 0.000 0.535 145 L N -0.915 120.469 121.223 0.269 0.000 2.083 145 L HA -0.262 4.061 4.340 -0.028 0.000 0.209 145 L C 2.398 179.414 176.870 0.243 0.000 1.083 145 L CA 1.188 56.167 54.840 0.232 0.000 0.752 145 L CB -1.131 41.070 42.059 0.236 0.000 0.899 145 L HN 0.081 nan 8.230 nan 0.000 0.433 146 Y N 0.600 120.948 120.300 0.080 0.000 2.128 146 Y HA -0.223 4.310 4.550 -0.028 0.000 0.284 146 Y C 2.332 178.231 175.900 -0.003 0.000 1.154 146 Y CA 1.524 59.687 58.100 0.104 0.000 1.149 146 Y CB -0.662 37.825 38.460 0.045 0.000 0.976 146 Y HN -0.143 nan 8.280 nan 0.000 0.505 147 V N 0.745 120.338 119.914 -0.536 0.000 2.427 147 V HA -0.258 3.846 4.120 -0.028 0.000 0.248 147 V C 2.760 178.725 176.094 -0.215 0.000 1.051 147 V CA 1.699 63.664 62.300 -0.557 0.000 1.048 147 V CB -1.576 29.947 31.823 -0.500 0.000 0.666 147 V HN 0.567 nan 8.190 nan 0.000 0.456 148 A N 0.517 123.318 122.820 -0.031 0.000 1.902 148 A HA -0.098 4.205 4.320 -0.028 0.000 0.217 148 A C 2.416 180.001 177.584 0.001 0.000 1.181 148 A CA 1.972 54.024 52.037 0.025 0.000 0.623 148 A CB -1.201 17.853 19.000 0.090 0.000 0.818 148 A HN 0.518 nan 8.150 nan 0.000 0.443 149 G N -1.041 107.798 108.800 0.065 0.000 2.421 149 G HA2 -0.155 3.788 3.960 -0.028 0.000 0.216 149 G HA3 -0.155 3.788 3.960 -0.028 0.000 0.216 149 G C 1.579 176.230 174.900 -0.416 0.000 1.171 149 G CA 1.655 46.829 45.100 0.123 0.000 0.775 149 G HN 0.431 nan 8.290 nan 0.000 0.543 150 T N 1.387 115.508 114.554 -0.721 0.000 2.720 150 T HA -0.128 4.205 4.350 -0.028 0.000 0.268 150 T C 2.821 177.241 174.700 -0.468 0.000 1.037 150 T CA 1.608 63.115 62.100 -0.988 0.000 1.144 150 T CB -0.308 68.162 68.868 -0.664 0.000 0.864 150 T HN 0.260 nan 8.240 nan 0.000 0.444 151 S N 1.237 116.780 115.700 -0.261 0.000 2.368 151 S HA 0.044 4.498 4.470 -0.028 0.000 0.225 151 S C 2.038 176.606 174.600 -0.052 0.000 1.030 151 S CA 0.830 58.962 58.200 -0.114 0.000 0.999 151 S CB -0.441 62.724 63.200 -0.060 0.000 0.844 151 S HN 0.358 nan 8.310 nan 0.000 0.459 152 L N 0.990 122.187 121.223 -0.043 0.000 2.056 152 L HA -0.108 4.216 4.340 -0.028 0.000 0.207 152 L C 2.839 179.731 176.870 0.036 0.000 1.078 152 L CA 1.135 56.001 54.840 0.043 0.000 0.749 152 L CB -0.803 41.323 42.059 0.111 0.000 0.901 152 L HN 0.329 nan 8.230 nan 0.000 0.433 153 A N -0.045 122.739 122.820 -0.060 0.000 1.883 153 A HA -0.181 4.122 4.320 -0.028 0.000 0.217 153 A C 2.307 179.909 177.584 0.029 0.000 1.186 153 A CA 2.034 54.062 52.037 -0.015 0.000 0.624 153 A CB -0.908 18.024 19.000 -0.114 0.000 0.822 153 A HN 0.207 nan 8.150 nan 0.000 0.444 154 V N -0.178 119.738 119.914 0.003 0.000 2.343 154 V HA -0.246 3.857 4.120 -0.028 0.000 0.247 154 V C 3.029 179.250 176.094 0.213 0.000 1.051 154 V CA 1.943 64.314 62.300 0.118 0.000 1.036 154 V CB -1.289 30.598 31.823 0.107 0.000 0.654 154 V HN 0.629 nan 8.190 nan 0.000 0.451 155 A N 0.783 123.704 122.820 0.169 0.000 1.972 155 A HA -0.206 4.097 4.320 -0.028 0.000 0.219 155 A C 2.552 180.247 177.584 0.185 0.000 1.169 155 A CA 2.085 54.253 52.037 0.218 0.000 0.635 155 A CB -0.764 18.329 19.000 0.155 0.000 0.810 155 A HN 0.699 nan 8.150 nan 0.000 0.446 156 S N 0.156 115.924 115.700 0.112 0.000 2.419 156 S HA -0.132 4.322 4.470 -0.028 0.000 0.235 156 S C 1.772 176.358 174.600 -0.022 0.000 1.019 156 S CA 1.503 59.735 58.200 0.052 0.000 0.982 156 S CB -0.753 62.476 63.200 0.049 0.000 0.789 156 S HN 0.474 nan 8.310 nan 0.000 0.490 157 L N -1.049 120.126 121.223 -0.080 0.000 2.275 157 L HA 0.118 4.442 4.340 -0.028 0.000 0.215 157 L C 1.281 177.841 176.870 -0.517 0.000 1.119 157 L CA 1.016 55.646 54.840 -0.349 0.000 0.790 157 L CB -0.375 41.359 42.059 -0.540 0.000 0.919 157 L HN 0.318 nan 8.230 nan 0.000 0.443 158 F N -0.584 119.376 119.950 0.016 0.000 2.654 158 F HA 0.396 4.906 4.527 -0.028 0.000 0.303 158 F C 0.946 176.739 175.800 -0.012 0.000 1.099 158 F CA -0.530 57.477 58.000 0.011 0.000 1.270 158 F CB -0.032 38.981 39.000 0.020 0.000 1.024 158 F HN -0.158 nan 8.300 nan 0.000 0.548 159 A N 0.371 123.219 122.820 0.047 0.000 2.306 159 A HA 0.686 4.990 4.320 -0.028 0.000 0.330 159 A C -2.520 174.918 177.584 -0.243 0.000 1.146 159 A CA -1.899 50.068 52.037 -0.117 0.000 0.827 159 A CB 0.218 19.105 19.000 -0.188 0.000 1.178 159 A HN -0.119 nan 8.150 nan 0.000 0.490 160 P HA 0.183 nan 4.420 nan 0.000 0.260 160 P C 0.444 177.573 177.300 -0.286 0.000 1.185 160 P CA 1.060 63.985 63.100 -0.291 0.000 0.763 160 P CB 0.678 32.211 31.700 -0.279 0.000 0.776 161 G N 2.372 111.092 108.800 -0.134 0.000 3.247 161 G HA2 0.601 4.545 3.960 -0.028 0.000 0.199 161 G HA3 0.601 4.545 3.960 -0.028 0.000 0.199 161 G C -0.198 174.661 174.900 -0.068 0.000 1.172 161 G CA -0.479 44.582 45.100 -0.064 0.000 0.844 161 G HN 0.545 nan 8.290 nan 0.000 0.619 162 G N -0.695 108.100 108.800 -0.010 0.000 2.544 162 G HA2 0.360 4.303 3.960 -0.028 0.000 0.242 162 G HA3 0.360 4.303 3.960 -0.028 0.000 0.242 162 G C 0.375 175.013 174.900 -0.438 0.000 1.247 162 G CA 0.461 45.496 45.100 -0.108 0.000 0.840 162 G HN 0.823 nan 8.290 nan 0.000 0.578 163 N N -0.275 118.276 118.700 -0.249 0.000 2.741 163 N HA -0.234 4.489 4.740 -0.028 0.000 0.250 163 N C 1.392 176.780 175.510 -0.203 0.000 1.115 163 N CA 1.620 54.532 53.050 -0.231 0.000 0.724 163 N CB -1.244 37.074 38.487 -0.283 0.000 1.090 163 N HN 1.908 nan 8.380 nan 0.000 0.558 164 G N -0.480 108.226 108.800 -0.156 0.000 2.203 164 G HA2 -0.350 3.593 3.960 -0.028 0.000 0.263 164 G HA3 -0.350 3.593 3.960 -0.028 0.000 0.263 164 G C 0.172 175.007 174.900 -0.108 0.000 1.012 164 G CA 1.378 46.416 45.100 -0.103 0.000 0.749 164 G HN 0.635 nan 8.290 nan 0.000 0.512 165 Q N -1.529 118.159 119.800 -0.185 0.000 2.990 165 Q HA 0.794 5.117 4.340 -0.028 0.000 0.255 165 Q C 0.499 176.472 176.000 -0.045 0.000 1.040 165 Q CA -1.101 54.640 55.803 -0.104 0.000 0.897 165 Q CB 1.015 29.689 28.738 -0.107 0.000 1.429 165 Q HN 0.288 nan 8.270 nan 0.000 0.497 166 L N 0.198 121.446 121.223 0.042 0.000 2.360 166 L HA 0.711 5.035 4.340 -0.028 0.000 0.271 166 L C 0.398 177.333 176.870 0.108 0.000 1.057 166 L CA -0.453 54.407 54.840 0.033 0.000 0.803 166 L CB 1.078 43.148 42.059 0.018 0.000 1.207 166 L HN 0.870 nan 8.230 nan 0.000 0.445 167 G N 1.249 110.065 108.800 0.026 0.000 2.712 167 G HA2 -0.165 3.779 3.960 -0.028 0.000 0.686 167 G HA3 -0.165 3.779 3.960 -0.028 0.000 0.686 167 G C -0.689 174.249 174.900 0.062 0.000 1.321 167 G CA -0.871 44.224 45.100 -0.007 0.000 0.813 167 G HN 0.516 nan 8.290 nan 0.000 0.599 168 S N 0.294 115.985 115.700 -0.014 0.000 2.422 168 S HA 0.591 5.044 4.470 -0.028 0.000 0.298 168 S C 0.878 175.439 174.600 -0.065 0.000 1.118 168 S CA 0.323 58.526 58.200 0.004 0.000 1.083 168 S CB 1.482 64.682 63.200 0.000 0.000 0.971 168 S HN 1.734 nan 8.310 nan 0.000 0.478 169 G N 2.556 111.319 108.800 -0.061 0.000 4.403 169 G HA2 0.429 4.372 3.960 -0.028 0.000 0.297 169 G HA3 0.429 4.372 3.960 -0.028 0.000 0.297 169 G C 0.492 175.395 174.900 0.005 0.000 1.325 169 G CA -0.530 44.503 45.100 -0.111 0.000 1.378 169 G HN 0.830 nan 8.290 nan 0.000 0.595 170 I N -2.070 118.504 120.570 0.007 0.000 4.240 170 I HA 0.544 4.697 4.170 -0.028 0.000 0.331 170 I C 0.745 176.855 176.117 -0.012 0.000 1.381 170 I CA -0.180 61.125 61.300 0.008 0.000 1.136 170 I CB 0.398 38.394 38.000 -0.007 0.000 1.137 170 I HN 0.356 nan 8.210 nan 0.000 0.411 171 G N 2.169 110.978 108.800 0.016 0.000 2.722 171 G HA2 -0.273 3.670 3.960 -0.028 0.000 0.686 171 G HA3 -0.273 3.670 3.960 -0.028 0.000 0.686 171 G C 0.030 174.952 174.900 0.036 0.000 1.282 171 G CA -0.046 45.068 45.100 0.023 0.000 0.817 171 G HN 0.650 nan 8.290 nan 0.000 0.605 172 W N 1.131 122.412 121.300 -0.032 0.000 2.468 172 W HA 0.021 4.665 4.660 -0.027 0.000 0.262 172 W C 1.433 177.962 176.519 0.017 0.000 1.241 172 W CA 1.927 59.274 57.345 0.004 0.000 1.232 172 W CB -1.112 28.335 29.460 -0.021 0.000 1.124 172 W HN 1.133 nan 8.180 nan 0.000 0.597 173 V N -0.506 118.973 119.914 -0.725 0.000 3.647 173 V HA 0.194 4.298 4.120 -0.028 0.000 0.279 173 V C 1.333 177.314 176.094 -0.188 0.000 1.314 173 V CA 0.147 62.001 62.300 -0.743 0.000 1.125 173 V CB -1.135 30.083 31.823 -1.008 0.000 0.907 173 V HN 0.179 nan 8.190 nan 0.000 0.434 174 L N -1.467 119.672 121.223 -0.140 0.000 3.634 174 L HA -0.212 4.111 4.340 -0.028 0.000 0.423 174 L C -0.181 176.593 176.870 -0.160 0.000 1.253 174 L CA 0.070 54.847 54.840 -0.104 0.000 0.885 174 L CB -2.762 39.230 42.059 -0.111 0.000 1.789 174 L HN 0.323 nan 8.230 nan 0.000 0.904 175 Y N 1.518 121.662 120.300 -0.260 0.000 2.721 175 Y HA 0.199 4.733 4.550 -0.028 0.000 0.329 175 Y C -1.154 174.529 175.900 -0.361 0.000 1.211 175 Y CA -2.144 55.771 58.100 -0.308 0.000 1.512 175 Y CB -0.016 38.394 38.460 -0.083 0.000 1.249 175 Y HN 0.112 nan 8.280 nan 0.000 0.549 176 P HA 0.237 nan 4.420 nan 0.000 0.281 176 P C -2.364 174.887 177.300 -0.081 0.000 1.264 176 P CA -2.067 60.893 63.100 -0.232 0.000 0.824 176 P CB 1.454 32.968 31.700 -0.311 0.000 1.092 177 P HA 0.008 nan 4.420 nan 0.000 0.237 177 P C 1.542 178.848 177.300 0.009 0.000 1.178 177 P CA 0.149 63.260 63.100 0.018 0.000 0.766 177 P CB -0.127 31.601 31.700 0.046 0.000 0.876 178 L N 0.928 122.160 121.223 0.015 0.000 1.990 178 L HA -0.228 4.096 4.340 -0.028 0.000 0.213 178 L C 2.275 179.142 176.870 -0.005 0.000 1.072 178 L CA 2.616 57.469 54.840 0.021 0.000 0.755 178 L CB -1.432 40.653 42.059 0.043 0.000 0.889 178 L HN 0.036 nan 8.230 nan 0.000 0.432 179 S N -2.196 113.476 115.700 -0.046 0.000 2.402 179 S HA -0.172 4.282 4.470 -0.028 0.000 0.229 179 S C 1.836 176.402 174.600 -0.056 0.000 1.021 179 S CA 1.283 59.440 58.200 -0.071 0.000 0.974 179 S CB -1.497 61.613 63.200 -0.150 0.000 0.800 179 S HN 0.679 nan 8.310 nan 0.000 0.484 180 T N 0.000 114.527 114.554 -0.045 0.000 3.085 180 T HA 0.118 4.451 4.350 -0.028 0.000 0.263 180 T C 1.728 176.430 174.700 0.002 0.000 1.127 180 T CA 0.828 62.924 62.100 -0.006 0.000 1.103 180 T CB -0.357 68.536 68.868 0.043 0.000 0.921 180 T HN 0.620 nan 8.240 nan 0.000 0.510 181 S N -0.279 115.423 115.700 0.003 0.000 2.512 181 S HA 0.229 4.683 4.470 -0.028 0.000 0.216 181 S C 0.420 175.024 174.600 0.006 0.000 1.006 181 S CA -0.490 57.715 58.200 0.008 0.000 0.915 181 S CB -0.215 62.995 63.200 0.016 0.000 0.824 181 S HN 0.494 nan 8.310 nan 0.000 0.497 182 E N 3.696 123.900 120.200 0.006 0.000 2.558 182 E HA 0.173 4.506 4.350 -0.028 0.000 0.255 182 E C 0.361 176.961 176.600 0.001 0.000 0.968 182 E CA 0.079 56.486 56.400 0.011 0.000 0.939 182 E CB 0.422 30.134 29.700 0.019 0.000 0.921 182 E HN 0.520 nan 8.360 nan 0.000 0.477 183 S N 3.321 119.017 115.700 -0.007 0.000 2.608 183 S HA 0.657 5.110 4.470 -0.028 0.000 0.261 183 S C 0.891 175.479 174.600 -0.020 0.000 1.314 183 S CA -0.400 57.793 58.200 -0.013 0.000 0.992 183 S CB 0.979 64.165 63.200 -0.023 0.000 0.935 183 S HN 1.188 nan 8.310 nan 0.000 0.564 184 G N 0.595 109.392 108.800 -0.005 0.000 2.693 184 G HA2 -0.203 3.740 3.960 -0.028 0.000 0.226 184 G HA3 -0.203 3.740 3.960 -0.028 0.000 0.226 184 G C -0.180 174.745 174.900 0.040 0.000 1.354 184 G CA 0.330 45.415 45.100 -0.025 0.000 0.873 184 G HN 1.951 nan 8.290 nan 0.000 0.562 185 Y N -2.464 117.844 120.300 0.014 0.000 2.527 185 Y HA 0.630 5.163 4.550 -0.028 0.000 0.247 185 Y C 2.345 178.255 175.900 0.018 0.000 1.138 185 Y CA 0.850 58.956 58.100 0.010 0.000 1.228 185 Y CB -0.248 38.230 38.460 0.029 0.000 1.252 185 Y HN 0.804 nan 8.280 nan 0.000 0.531 186 S N 0.889 116.471 115.700 -0.197 0.000 2.374 186 S HA -0.225 4.228 4.470 -0.028 0.000 0.227 186 S C 1.779 176.370 174.600 -0.015 0.000 1.037 186 S CA 2.529 60.666 58.200 -0.104 0.000 1.024 186 S CB -0.625 62.504 63.200 -0.117 0.000 0.861 186 S HN 0.659 nan 8.310 nan 0.000 0.456 187 T N 1.931 116.472 114.554 -0.021 0.000 2.867 187 T HA -0.070 4.264 4.350 -0.028 0.000 0.268 187 T C 1.375 176.029 174.700 -0.077 0.000 1.057 187 T CA 1.393 63.472 62.100 -0.035 0.000 1.136 187 T CB -0.435 68.411 68.868 -0.037 0.000 0.874 187 T HN 0.543 nan 8.240 nan 0.000 0.466 188 D N 1.301 121.659 120.400 -0.070 0.000 2.117 188 D HA 0.002 4.625 4.640 -0.028 0.000 0.198 188 D C 2.192 178.320 176.300 -0.288 0.000 0.982 188 D CA 0.762 54.622 54.000 -0.233 0.000 0.828 188 D CB -0.163 40.561 40.800 -0.127 0.000 0.967 188 D HN 0.339 nan 8.370 nan 0.000 0.464 189 L N 1.154 122.402 121.223 0.042 0.000 2.042 189 L HA -0.173 4.151 4.340 -0.028 0.000 0.210 189 L C 2.738 179.674 176.870 0.111 0.000 1.076 189 L CA 1.113 56.066 54.840 0.189 0.000 0.749 189 L CB -0.508 41.685 42.059 0.222 0.000 0.893 189 L HN -0.018 nan 8.230 nan 0.000 0.432 190 A N 0.245 123.084 122.820 0.032 0.000 1.933 190 A HA -0.168 4.135 4.320 -0.028 0.000 0.218 190 A C 2.215 179.777 177.584 -0.038 0.000 1.175 190 A CA 1.436 53.489 52.037 0.026 0.000 0.628 190 A CB -0.609 18.400 19.000 0.014 0.000 0.814 190 A HN 0.346 nan 8.150 nan 0.000 0.444 191 I N -1.514 118.973 120.570 -0.138 0.000 2.179 191 I HA -0.249 3.905 4.170 -0.028 0.000 0.242 191 I C 2.203 178.273 176.117 -0.079 0.000 1.088 191 I CA 1.282 62.454 61.300 -0.214 0.000 1.357 191 I CB -0.378 37.441 38.000 -0.302 0.000 1.051 191 I HN 0.284 nan 8.210 nan 0.000 0.409 192 F N 0.999 121.017 119.950 0.113 0.000 2.134 192 F HA -0.189 4.322 4.527 -0.028 0.000 0.299 192 F C 2.640 178.525 175.800 0.141 0.000 1.097 192 F CA 1.008 59.109 58.000 0.168 0.000 1.264 192 F CB -1.436 37.644 39.000 0.133 0.000 1.001 192 F HN 0.015 nan 8.300 nan 0.000 0.479 193 A N 0.064 123.059 122.820 0.292 0.000 1.917 193 A HA -0.175 4.129 4.320 -0.028 0.000 0.219 193 A C 2.443 180.191 177.584 0.273 0.000 1.182 193 A CA 2.288 54.494 52.037 0.281 0.000 0.633 193 A CB -1.282 17.863 19.000 0.243 0.000 0.819 193 A HN 0.198 nan 8.150 nan 0.000 0.448 194 V N -0.681 119.227 119.914 -0.010 0.000 2.427 194 V HA -0.212 3.892 4.120 -0.028 0.000 0.248 194 V C 2.436 178.389 176.094 -0.236 0.000 1.051 194 V CA 1.920 63.980 62.300 -0.399 0.000 1.048 194 V CB -1.038 30.354 31.823 -0.719 0.000 0.666 194 V HN 0.635 nan 8.190 nan 0.000 0.456 195 H N 0.006 119.050 119.070 -0.044 0.000 2.319 195 H HA -0.125 4.415 4.556 -0.028 0.000 0.297 195 H C 2.303 177.672 175.328 0.068 0.000 1.097 195 H CA 1.935 57.999 56.048 0.027 0.000 1.285 195 H CB -0.287 29.553 29.762 0.130 0.000 1.368 195 H HN 0.319 nan 8.280 nan 0.000 0.495 196 L N -0.311 121.070 121.223 0.262 0.000 2.141 196 L HA -0.140 4.184 4.340 -0.028 0.000 0.209 196 L C 2.803 179.825 176.870 0.254 0.000 1.094 196 L CA 1.111 56.093 54.840 0.238 0.000 0.763 196 L CB -0.361 41.842 42.059 0.239 0.000 0.908 196 L HN 0.186 nan 8.230 nan 0.000 0.437 197 S N 0.182 116.029 115.700 0.244 0.000 2.368 197 S HA -0.137 4.317 4.470 -0.028 0.000 0.225 197 S C 2.061 176.739 174.600 0.131 0.000 1.030 197 S CA 1.417 59.731 58.200 0.190 0.000 0.999 197 S CB -0.427 62.712 63.200 -0.101 0.000 0.844 197 S HN 0.493 nan 8.310 nan 0.000 0.459 198 G N 0.791 109.633 108.800 0.072 0.000 2.418 198 G HA2 -0.026 3.918 3.960 -0.028 0.000 0.217 198 G HA3 -0.026 3.918 3.960 -0.028 0.000 0.217 198 G C 1.716 176.679 174.900 0.104 0.000 1.158 198 G CA 0.974 46.112 45.100 0.064 0.000 0.771 198 G HN 0.722 nan 8.290 nan 0.000 0.545 199 A N 0.692 123.590 122.820 0.131 0.000 1.877 199 A HA -0.048 4.256 4.320 -0.028 0.000 0.216 199 A C 2.647 180.323 177.584 0.153 0.000 1.186 199 A CA 2.416 54.531 52.037 0.129 0.000 0.620 199 A CB -1.061 18.017 19.000 0.131 0.000 0.822 199 A HN 0.490 nan 8.150 nan 0.000 0.443 200 S N -0.288 115.531 115.700 0.198 0.000 2.372 200 S HA -0.201 4.252 4.470 -0.028 0.000 0.227 200 S C 2.238 176.971 174.600 0.222 0.000 1.044 200 S CA 2.338 60.688 58.200 0.250 0.000 1.050 200 S CB -0.497 62.901 63.200 0.330 0.000 0.901 200 S HN 0.571 nan 8.310 nan 0.000 0.447 201 S N 0.900 116.700 115.700 0.167 0.000 2.368 201 S HA 0.062 4.515 4.470 -0.028 0.000 0.224 201 S C 1.778 176.447 174.600 0.115 0.000 1.029 201 S CA 1.363 59.633 58.200 0.116 0.000 0.988 201 S CB -0.423 62.794 63.200 0.028 0.000 0.838 201 S HN 0.542 nan 8.310 nan 0.000 0.462 202 I N 1.428 122.057 120.570 0.099 0.000 2.202 202 I HA -0.165 3.989 4.170 -0.028 0.000 0.242 202 I C 2.065 178.236 176.117 0.090 0.000 1.091 202 I CA 1.014 62.360 61.300 0.076 0.000 1.368 202 I CB -0.341 37.698 38.000 0.065 0.000 1.058 202 I HN 0.229 nan 8.210 nan 0.000 0.410 203 L N 0.265 121.556 121.223 0.113 0.000 2.012 203 L HA -0.175 4.148 4.340 -0.028 0.000 0.210 203 L C 2.708 179.664 176.870 0.142 0.000 1.073 203 L CA 1.731 56.639 54.840 0.113 0.000 0.748 203 L CB -1.412 40.728 42.059 0.136 0.000 0.891 203 L HN 0.356 nan 8.230 nan 0.000 0.431 204 G N -0.275 108.641 108.800 0.193 0.000 2.476 204 G HA2 -0.292 3.651 3.960 -0.028 0.000 0.218 204 G HA3 -0.292 3.651 3.960 -0.028 0.000 0.218 204 G C 1.758 176.787 174.900 0.214 0.000 1.164 204 G CA 0.954 46.174 45.100 0.199 0.000 0.768 204 G HN 0.491 nan 8.290 nan 0.000 0.560 205 A N 0.569 123.555 122.820 0.275 0.000 1.898 205 A HA 0.083 4.387 4.320 -0.028 0.000 0.216 205 A C 2.415 180.007 177.584 0.014 0.000 1.181 205 A CA 1.262 53.414 52.037 0.192 0.000 0.620 205 A CB -0.327 18.704 19.000 0.052 0.000 0.819 205 A HN 0.386 nan 8.150 nan 0.000 0.442 206 I N -0.108 120.475 120.570 0.023 0.000 2.179 206 I HA -0.279 3.875 4.170 -0.028 0.000 0.242 206 I C 2.400 178.585 176.117 0.114 0.000 1.088 206 I CA 1.254 62.566 61.300 0.019 0.000 1.357 206 I CB -0.451 37.556 38.000 0.013 0.000 1.051 206 I HN 0.315 nan 8.210 nan 0.000 0.409 207 N N 0.603 119.395 118.700 0.154 0.000 2.043 207 N HA -0.176 4.548 4.740 -0.028 0.000 0.193 207 N C 1.864 177.416 175.510 0.070 0.000 1.037 207 N CA 1.519 54.668 53.050 0.166 0.000 0.851 207 N CB -0.197 38.373 38.487 0.137 0.000 1.027 207 N HN 0.181 nan 8.380 nan 0.000 0.422 208 M N 0.468 120.083 119.600 0.024 0.000 2.080 208 M HA -0.116 4.348 4.480 -0.028 0.000 0.260 208 M C 2.275 178.647 176.300 0.120 0.000 1.068 208 M CA 1.110 56.422 55.300 0.019 0.000 1.109 208 M CB -1.136 31.452 32.600 -0.019 0.000 1.342 208 M HN 0.124 nan 8.290 nan 0.000 0.405 209 I N -0.232 120.370 120.570 0.052 0.000 2.233 209 I HA -0.237 3.916 4.170 -0.028 0.000 0.243 209 I C 2.334 178.580 176.117 0.215 0.000 1.093 209 I CA 1.323 62.687 61.300 0.106 0.000 1.380 209 I CB -0.579 37.201 38.000 -0.367 0.000 1.067 209 I HN 0.297 nan 8.210 nan 0.000 0.413 210 T N -0.097 114.538 114.554 0.136 0.000 2.708 210 T HA -0.175 4.159 4.350 -0.028 0.000 0.266 210 T C 1.892 176.621 174.700 0.048 0.000 1.037 210 T CA 2.078 64.253 62.100 0.126 0.000 1.146 210 T CB -0.506 68.472 68.868 0.183 0.000 0.865 210 T HN 0.351 nan 8.240 nan 0.000 0.435 211 T N 1.780 116.344 114.554 0.017 0.000 2.708 211 T HA -0.057 4.276 4.350 -0.028 0.000 0.266 211 T C 1.568 176.243 174.700 -0.041 0.000 1.037 211 T CA 1.086 63.154 62.100 -0.054 0.000 1.146 211 T CB -0.611 68.209 68.868 -0.080 0.000 0.865 211 T HN 0.341 nan 8.240 nan 0.000 0.435 212 F N 1.200 121.074 119.950 -0.128 0.000 2.202 212 F HA 0.002 4.512 4.527 -0.028 0.000 0.301 212 F C 1.839 177.459 175.800 -0.300 0.000 1.082 212 F CA 1.096 58.938 58.000 -0.262 0.000 1.313 212 F CB -0.238 38.551 39.000 -0.353 0.000 1.024 212 F HN 0.068 nan 8.300 nan 0.000 0.495 213 L N -0.701 120.565 121.223 0.071 0.000 2.202 213 L HA -0.055 4.268 4.340 -0.028 0.000 0.205 213 L C 1.465 178.306 176.870 -0.048 0.000 1.083 213 L CA 0.727 55.592 54.840 0.042 0.000 0.790 213 L CB -0.393 41.793 42.059 0.211 0.000 0.942 213 L HN 0.024 nan 8.230 nan 0.000 0.452 214 N N -1.023 117.647 118.700 -0.051 0.000 2.250 214 N HA 0.159 4.882 4.740 -0.028 0.000 0.190 214 N C 0.937 176.375 175.510 -0.120 0.000 1.116 214 N CA 0.576 53.584 53.050 -0.069 0.000 0.881 214 N CB 0.681 39.141 38.487 -0.046 0.000 1.006 214 N HN 0.237 nan 8.380 nan 0.000 0.491 215 M N -0.127 119.375 119.600 -0.164 0.000 2.603 215 M HA 0.253 4.717 4.480 -0.028 0.000 0.380 215 M C -0.320 175.834 176.300 -0.242 0.000 1.158 215 M CA -0.266 54.922 55.300 -0.188 0.000 0.921 215 M CB 1.168 33.657 32.600 -0.186 0.000 1.417 215 M HN -0.212 nan 8.290 nan 0.000 0.523 216 R N 1.304 121.638 120.500 -0.277 0.000 2.643 216 R HA 0.469 4.792 4.340 -0.028 0.000 0.270 216 R C 0.441 176.589 176.300 -0.253 0.000 1.061 216 R CA -0.141 55.771 56.100 -0.314 0.000 1.107 216 R CB 0.621 30.700 30.300 -0.368 0.000 0.999 216 R HN 0.269 nan 8.270 nan 0.000 0.460 217 A N 4.339 126.998 122.820 -0.267 0.000 2.425 217 A HA 0.217 4.521 4.320 -0.028 0.000 0.242 217 A C -1.988 175.503 177.584 -0.154 0.000 1.077 217 A CA -1.216 50.687 52.037 -0.223 0.000 0.781 217 A CB -0.287 18.560 19.000 -0.254 0.000 1.020 217 A HN 0.443 nan 8.150 nan 0.000 0.494 218 P HA 0.141 nan 4.420 nan 0.000 0.257 218 P C 1.096 178.352 177.300 -0.072 0.000 1.162 218 P CA 2.167 65.219 63.100 -0.081 0.000 0.762 218 P CB 0.266 31.931 31.700 -0.058 0.000 0.753 219 G N 3.165 111.926 108.800 -0.066 0.000 2.268 219 G HA2 -0.328 3.615 3.960 -0.028 0.000 0.240 219 G HA3 -0.328 3.615 3.960 -0.028 0.000 0.240 219 G C 0.358 175.220 174.900 -0.064 0.000 1.010 219 G CA 0.142 45.211 45.100 -0.053 0.000 0.618 219 G HN 0.581 nan 8.290 nan 0.000 0.516 220 M N 3.342 122.885 119.600 -0.095 0.000 3.102 220 M HA 0.516 4.979 4.480 -0.028 0.000 0.269 220 M C 0.907 177.128 176.300 -0.132 0.000 1.551 220 M CA 0.576 55.805 55.300 -0.118 0.000 1.629 220 M CB -0.528 31.970 32.600 -0.170 0.000 1.324 220 M HN 0.387 nan 8.290 nan 0.000 0.509 221 T N 3.031 117.538 114.554 -0.078 0.000 2.868 221 T HA 0.202 4.535 4.350 -0.028 0.000 0.292 221 T C 1.571 176.246 174.700 -0.043 0.000 1.028 221 T CA -0.529 61.532 62.100 -0.064 0.000 1.059 221 T CB 0.638 69.493 68.868 -0.021 0.000 0.991 221 T HN 0.729 nan 8.240 nan 0.000 0.531 222 M N 1.894 121.466 119.600 -0.047 0.000 2.144 222 M HA -0.138 4.326 4.480 -0.028 0.000 0.260 222 M C 1.621 178.193 176.300 0.453 0.000 1.067 222 M CA 1.973 57.321 55.300 0.080 0.000 1.095 222 M CB -0.836 31.836 32.600 0.120 0.000 1.365 222 M HN 0.788 nan 8.290 nan 0.000 0.406 223 H N -0.833 118.436 119.070 0.331 0.000 2.543 223 H HA 0.071 4.611 4.556 -0.027 0.000 0.269 223 H C 1.287 176.725 175.328 0.183 0.000 1.005 223 H CA 0.125 56.405 56.048 0.386 0.000 1.146 223 H CB 0.278 30.187 29.762 0.245 0.000 1.353 223 H HN 0.316 nan 8.280 nan 0.000 0.595 224 K N 0.370 120.904 120.400 0.223 0.000 2.402 224 K HA 0.129 4.432 4.320 -0.028 0.000 0.203 224 K C -0.129 176.533 176.600 0.104 0.000 1.077 224 K CA -0.065 56.244 56.287 0.036 0.000 1.051 224 K CB 1.437 33.934 32.500 -0.006 0.000 0.907 224 K HN -0.041 nan 8.250 nan 0.000 0.554 225 V N 4.486 124.541 119.914 0.234 0.000 2.599 225 V HA 0.016 4.120 4.120 -0.028 0.000 0.300 225 V C -2.168 174.197 176.094 0.453 0.000 1.034 225 V CA -1.187 61.218 62.300 0.174 0.000 1.115 225 V CB 0.318 32.051 31.823 -0.151 0.000 0.934 225 V HN 0.083 nan 8.190 nan 0.000 0.485 226 P HA 0.178 nan 4.420 nan 0.000 0.272 226 P C 0.970 178.689 177.300 0.698 0.000 1.223 226 P CA -0.265 63.106 63.100 0.452 0.000 0.784 226 P CB 0.654 32.502 31.700 0.246 0.000 0.923 227 L N 0.621 122.296 121.223 0.755 0.000 2.083 227 L HA -0.182 4.142 4.340 -0.028 0.000 0.209 227 L C 2.188 179.459 176.870 0.669 0.000 1.083 227 L CA 1.472 56.722 54.840 0.683 0.000 0.752 227 L CB -0.605 41.769 42.059 0.524 0.000 0.899 227 L HN 0.354 nan 8.230 nan 0.000 0.433 228 F N 0.835 121.116 119.950 0.552 0.000 2.134 228 F HA -0.225 4.286 4.527 -0.027 0.000 0.299 228 F C 2.402 178.461 175.800 0.431 0.000 1.097 228 F CA 1.290 59.466 58.000 0.293 0.000 1.264 228 F CB -0.274 38.702 39.000 -0.040 0.000 1.001 228 F HN -0.004 nan 8.300 nan 0.000 0.479 229 A N -0.719 122.383 122.820 0.469 0.000 1.969 229 A HA -0.184 4.119 4.320 -0.028 0.000 0.218 229 A C 2.143 179.914 177.584 0.312 0.000 1.169 229 A CA 1.389 53.627 52.037 0.335 0.000 0.635 229 A CB -1.664 17.597 19.000 0.436 0.000 0.810 229 A HN 0.661 nan 8.150 nan 0.000 0.445 230 W N 0.958 122.476 121.300 0.363 0.000 2.335 230 W HA -0.245 4.398 4.660 -0.028 0.000 0.311 230 W C 3.078 179.686 176.519 0.148 0.000 1.213 230 W CA 2.233 59.726 57.345 0.247 0.000 1.274 230 W CB -0.211 29.384 29.460 0.226 0.000 1.148 230 W HN 0.493 nan 8.180 nan 0.000 0.498 231 S N 0.092 116.010 115.700 0.364 0.000 2.370 231 S HA -0.231 4.222 4.470 -0.028 0.000 0.226 231 S C 1.723 176.392 174.600 0.115 0.000 1.033 231 S CA 1.582 59.916 58.200 0.223 0.000 1.011 231 S CB -0.764 62.550 63.200 0.191 0.000 0.852 231 S HN 0.112 nan 8.310 nan 0.000 0.457 232 I N 0.643 121.189 120.570 -0.040 0.000 2.315 232 I HA -0.005 4.148 4.170 -0.028 0.000 0.248 232 I C 2.254 178.456 176.117 0.141 0.000 1.117 232 I CA 0.918 62.219 61.300 0.002 0.000 1.404 232 I CB -1.476 36.383 38.000 -0.235 0.000 1.071 232 I HN 0.302 nan 8.210 nan 0.000 0.419 233 F N 1.847 121.719 119.950 -0.131 0.000 2.075 233 F HA -0.184 4.326 4.527 -0.028 0.000 0.297 233 F C 2.483 178.319 175.800 0.059 0.000 1.113 233 F CA 1.496 59.329 58.000 -0.279 0.000 1.218 233 F CB -0.581 37.805 39.000 -1.024 0.000 0.984 233 F HN -0.173 nan 8.300 nan 0.000 0.472 234 V N -0.167 119.848 119.914 0.167 0.000 2.287 234 V HA -0.348 3.756 4.120 -0.028 0.000 0.248 234 V C 2.342 178.520 176.094 0.141 0.000 1.053 234 V CA 2.437 64.847 62.300 0.183 0.000 1.027 234 V CB -1.379 30.593 31.823 0.248 0.000 0.646 234 V HN 0.413 nan 8.190 nan 0.000 0.447 235 T N 0.554 115.180 114.554 0.120 0.000 2.699 235 T HA -0.233 4.100 4.350 -0.028 0.000 0.268 235 T C 2.047 176.716 174.700 -0.052 0.000 1.036 235 T CA 1.790 63.914 62.100 0.041 0.000 1.147 235 T CB -0.499 68.401 68.868 0.054 0.000 0.862 235 T HN 0.599 nan 8.240 nan 0.000 0.446 236 A N 0.229 123.058 122.820 0.015 0.000 1.933 236 A HA -0.083 4.220 4.320 -0.028 0.000 0.218 236 A C 2.061 179.523 177.584 -0.204 0.000 1.175 236 A CA 1.261 53.249 52.037 -0.081 0.000 0.628 236 A CB -1.079 17.894 19.000 -0.045 0.000 0.814 236 A HN 0.695 nan 8.150 nan 0.000 0.444 237 W N 0.241 121.466 121.300 -0.126 0.000 2.358 237 W HA -0.094 4.549 4.660 -0.028 0.000 0.303 237 W C 2.092 178.618 176.519 0.011 0.000 1.208 237 W CA 1.029 58.311 57.345 -0.105 0.000 1.274 237 W CB -0.370 28.978 29.460 -0.186 0.000 1.138 237 W HN 0.218 nan 8.180 nan 0.000 0.515 238 L N -0.232 121.168 121.223 0.295 0.000 2.042 238 L HA -0.256 4.067 4.340 -0.028 0.000 0.210 238 L C 2.171 179.217 176.870 0.293 0.000 1.076 238 L CA 1.324 56.398 54.840 0.389 0.000 0.749 238 L CB -1.168 41.039 42.059 0.246 0.000 0.893 238 L HN 0.036 nan 8.230 nan 0.000 0.432 239 I N -0.362 120.260 120.570 0.085 0.000 2.208 239 I HA -0.315 3.839 4.170 -0.028 0.000 0.245 239 I C 2.472 178.652 176.117 0.106 0.000 1.097 239 I CA 1.164 62.484 61.300 0.034 0.000 1.363 239 I CB -0.237 37.673 38.000 -0.150 0.000 1.051 239 I HN 0.216 nan 8.210 nan 0.000 0.413 240 L N -0.047 121.228 121.223 0.087 0.000 2.131 240 L HA -0.162 4.161 4.340 -0.028 0.000 0.210 240 L C 2.175 179.131 176.870 0.142 0.000 1.092 240 L CA 1.643 56.538 54.840 0.091 0.000 0.759 240 L CB -0.628 41.465 42.059 0.057 0.000 0.903 240 L HN 0.244 nan 8.230 nan 0.000 0.435 241 L N -1.899 119.434 121.223 0.185 0.000 2.168 241 L HA -0.022 4.301 4.340 -0.028 0.000 0.203 241 L C 2.406 179.483 176.870 0.345 0.000 1.078 241 L CA 1.036 55.968 54.840 0.153 0.000 0.780 241 L CB -0.198 41.750 42.059 -0.185 0.000 0.939 241 L HN 0.241 nan 8.230 nan 0.000 0.451 242 A N -0.165 122.953 122.820 0.497 0.000 1.872 242 A HA -0.150 4.153 4.320 -0.028 0.000 0.214 242 A C 2.031 179.864 177.584 0.416 0.000 1.187 242 A CA 1.003 53.349 52.037 0.515 0.000 0.614 242 A CB -0.564 18.662 19.000 0.376 0.000 0.826 242 A HN 0.341 nan 8.150 nan 0.000 0.442 243 L N -0.350 121.048 121.223 0.291 0.000 2.093 243 L HA -0.062 4.261 4.340 -0.028 0.000 0.208 243 L C -0.529 176.381 176.870 0.066 0.000 1.085 243 L CA 1.913 56.840 54.840 0.145 0.000 0.755 243 L CB -2.243 39.881 42.059 0.108 0.000 0.904 243 L HN 0.235 nan 8.230 nan 0.000 0.435 244 P HA -0.075 nan 4.420 nan 0.000 0.218 244 P C 2.160 179.490 177.300 0.050 0.000 1.149 244 P CA 0.770 63.911 63.100 0.068 0.000 0.817 244 P CB 0.124 31.866 31.700 0.071 0.000 0.785 245 V N -0.205 119.765 119.914 0.095 0.000 2.343 245 V HA -0.223 3.880 4.120 -0.028 0.000 0.247 245 V C 2.385 178.473 176.094 -0.009 0.000 1.051 245 V CA 1.618 63.960 62.300 0.070 0.000 1.036 245 V CB -1.214 30.741 31.823 0.220 0.000 0.654 245 V HN 0.066 nan 8.190 nan 0.000 0.451 246 L N 0.995 122.186 121.223 -0.053 0.000 2.046 246 L HA -0.072 4.251 4.340 -0.028 0.000 0.208 246 L C 2.469 179.199 176.870 -0.235 0.000 1.077 246 L CA 2.364 57.041 54.840 -0.271 0.000 0.747 246 L CB -0.987 40.639 42.059 -0.722 0.000 0.896 246 L HN 0.213 nan 8.230 nan 0.000 0.432 247 A N -0.440 122.297 122.820 -0.138 0.000 1.940 247 A HA -0.123 4.180 4.320 -0.028 0.000 0.219 247 A C 2.323 179.941 177.584 0.056 0.000 1.176 247 A CA 1.708 53.736 52.037 -0.016 0.000 0.631 247 A CB -1.622 17.472 19.000 0.157 0.000 0.814 247 A HN 0.563 nan 8.150 nan 0.000 0.446 248 G N -0.533 108.267 108.800 0.001 0.000 2.453 248 G HA2 -0.007 3.936 3.960 -0.028 0.000 0.215 248 G HA3 -0.007 3.936 3.960 -0.028 0.000 0.215 248 G C 1.823 176.706 174.900 -0.029 0.000 1.201 248 G CA 1.605 46.693 45.100 -0.020 0.000 0.784 248 G HN 0.846 nan 8.290 nan 0.000 0.545 249 A N 1.335 124.118 122.820 -0.062 0.000 1.892 249 A HA -0.132 4.171 4.320 -0.028 0.000 0.218 249 A C 2.465 180.130 177.584 0.134 0.000 1.188 249 A CA 2.032 54.055 52.037 -0.022 0.000 0.631 249 A CB -0.559 18.274 19.000 -0.279 0.000 0.822 249 A HN 0.849 nan 8.150 nan 0.000 0.447 250 I N -3.791 116.778 120.570 -0.002 0.000 2.761 250 I HA -0.050 4.103 4.170 -0.028 0.000 0.261 250 I C 1.907 178.057 176.117 0.055 0.000 1.198 250 I CA 1.800 63.089 61.300 -0.018 0.000 1.482 250 I CB -0.737 37.108 38.000 -0.258 0.000 1.100 250 I HN 0.098 nan 8.210 nan 0.000 0.445 251 T N 1.567 116.194 114.554 0.121 0.000 2.857 251 T HA 0.016 4.350 4.350 -0.028 0.000 0.266 251 T C 1.890 176.688 174.700 0.163 0.000 1.048 251 T CA 1.703 63.933 62.100 0.216 0.000 1.139 251 T CB -0.204 68.791 68.868 0.211 0.000 0.874 251 T HN 0.320 nan 8.240 nan 0.000 0.455 252 M N 0.615 120.271 119.600 0.093 0.000 2.159 252 M HA -0.008 4.455 4.480 -0.028 0.000 0.263 252 M C 2.083 178.562 176.300 0.298 0.000 1.063 252 M CA 1.484 56.817 55.300 0.055 0.000 1.110 252 M CB -0.603 31.870 32.600 -0.211 0.000 1.374 252 M HN 0.186 nan 8.290 nan 0.000 0.411 253 L N -0.497 120.924 121.223 0.330 0.000 2.046 253 L HA -0.214 4.109 4.340 -0.028 0.000 0.208 253 L C 2.490 179.439 176.870 0.131 0.000 1.077 253 L CA 0.834 55.808 54.840 0.223 0.000 0.747 253 L CB -0.682 41.407 42.059 0.049 0.000 0.896 253 L HN 0.290 nan 8.230 nan 0.000 0.432 254 L N -0.085 121.207 121.223 0.115 0.000 2.046 254 L HA -0.198 4.125 4.340 -0.028 0.000 0.208 254 L C 2.772 179.742 176.870 0.166 0.000 1.077 254 L CA 2.358 57.251 54.840 0.088 0.000 0.747 254 L CB -0.555 41.575 42.059 0.118 0.000 0.896 254 L HN 0.446 nan 8.230 nan 0.000 0.432 255 T N -4.858 109.875 114.554 0.298 0.000 2.857 255 T HA -0.132 4.202 4.350 -0.028 0.000 0.266 255 T C 1.656 176.491 174.700 0.224 0.000 1.048 255 T CA 1.090 63.429 62.100 0.399 0.000 1.139 255 T CB -0.580 68.557 68.868 0.449 0.000 0.874 255 T HN 0.230 nan 8.240 nan 0.000 0.455 256 D N 1.342 121.860 120.400 0.197 0.000 2.149 256 D HA -0.022 4.602 4.640 -0.028 0.000 0.198 256 D C 2.463 178.789 176.300 0.044 0.000 0.990 256 D CA 0.953 55.017 54.000 0.107 0.000 0.839 256 D CB -0.221 40.669 40.800 0.150 0.000 0.948 256 D HN 0.439 nan 8.370 nan 0.000 0.460 257 R N -0.256 120.258 120.500 0.023 0.000 2.090 257 R HA 0.077 4.401 4.340 -0.028 0.000 0.228 257 R C 1.317 177.546 176.300 -0.119 0.000 1.110 257 R CA 0.936 57.012 56.100 -0.039 0.000 0.973 257 R CB 0.115 30.386 30.300 -0.049 0.000 0.869 257 R HN 0.215 nan 8.270 nan 0.000 0.440 258 N N -1.431 117.128 118.700 -0.235 0.000 2.297 258 N HA 0.055 4.779 4.740 -0.028 0.000 0.208 258 N C -0.054 175.092 175.510 -0.608 0.000 1.176 258 N CA 0.415 53.148 53.050 -0.530 0.000 0.882 258 N CB 0.778 38.717 38.487 -0.913 0.000 1.134 258 N HN 0.051 nan 8.380 nan 0.000 0.489 259 F N 0.481 120.454 119.950 0.038 0.000 2.805 259 F HA 0.410 4.920 4.527 -0.028 0.000 0.317 259 F C 1.443 177.243 175.800 -0.000 0.000 1.146 259 F CA -0.536 57.480 58.000 0.027 0.000 1.265 259 F CB 0.458 39.485 39.000 0.046 0.000 0.992 259 F HN -0.003 nan 8.300 nan 0.000 0.511 260 G N 0.738 109.590 108.800 0.087 0.000 2.196 260 G HA2 -0.344 3.600 3.960 -0.028 0.000 0.268 260 G HA3 -0.344 3.600 3.960 -0.028 0.000 0.268 260 G C 0.566 175.448 174.900 -0.029 0.000 0.975 260 G CA 0.645 45.760 45.100 0.026 0.000 0.648 260 G HN 0.542 nan 8.290 nan 0.000 0.538 261 T N -1.832 112.698 114.554 -0.039 0.000 2.813 261 T HA 0.533 4.867 4.350 -0.028 0.000 0.297 261 T C 0.926 175.481 174.700 -0.241 0.000 1.036 261 T CA 0.932 62.892 62.100 -0.235 0.000 1.044 261 T CB 1.605 70.251 68.868 -0.370 0.000 0.993 261 T HN 1.182 nan 8.240 nan 0.000 0.535 262 T N -1.324 112.989 114.554 -0.402 0.000 3.533 262 T HA 0.315 4.648 4.350 -0.028 0.000 0.275 262 T C 0.592 175.118 174.700 -0.290 0.000 1.000 262 T CA -0.676 61.278 62.100 -0.243 0.000 1.015 262 T CB -0.792 67.985 68.868 -0.151 0.000 1.153 262 T HN 0.417 nan 8.240 nan 0.000 0.504 263 F N 1.135 120.891 119.950 -0.324 0.000 2.154 263 F HA 0.108 4.619 4.527 -0.027 0.000 0.301 263 F C 1.175 176.633 175.800 -0.569 0.000 1.087 263 F CA 1.212 58.844 58.000 -0.614 0.000 1.274 263 F CB -0.427 37.880 39.000 -1.157 0.000 1.009 263 F HN 0.392 nan 8.300 nan 0.000 0.485 264 F N -1.273 118.798 119.950 0.203 0.000 2.724 264 F HA 0.280 4.791 4.527 -0.027 0.000 0.310 264 F C 0.042 175.879 175.800 0.061 0.000 1.107 264 F CA -0.688 57.384 58.000 0.119 0.000 1.218 264 F CB -0.435 38.617 39.000 0.087 0.000 1.042 264 F HN -0.249 nan 8.300 nan 0.000 0.540 265 Q N 1.497 121.378 119.800 0.136 0.000 2.372 265 Q HA 0.307 4.630 4.340 -0.028 0.000 0.259 265 Q C -2.120 173.914 176.000 0.055 0.000 0.993 265 Q CA -2.092 53.761 55.803 0.082 0.000 0.854 265 Q CB 1.579 30.340 28.738 0.039 0.000 1.231 265 Q HN 0.065 nan 8.270 nan 0.000 0.462 266 P HA -0.183 nan 4.420 nan 0.000 0.218 266 P C 1.449 178.768 177.300 0.030 0.000 1.149 266 P CA 1.409 64.541 63.100 0.052 0.000 0.817 266 P CB 0.313 32.048 31.700 0.057 0.000 0.785 267 S N -0.702 115.013 115.700 0.024 0.000 2.383 267 S HA -0.104 4.349 4.470 -0.028 0.000 0.229 267 S C 2.095 176.694 174.600 -0.001 0.000 1.030 267 S CA 1.547 59.754 58.200 0.012 0.000 1.002 267 S CB -1.830 61.376 63.200 0.010 0.000 0.829 267 S HN 0.231 nan 8.310 nan 0.000 0.467 268 G N -0.490 108.303 108.800 -0.012 0.000 3.042 268 G HA2 0.462 4.405 3.960 -0.028 0.000 0.212 268 G HA3 0.462 4.405 3.960 -0.028 0.000 0.212 268 G C 0.948 175.825 174.900 -0.038 0.000 1.166 268 G CA -0.011 45.067 45.100 -0.036 0.000 0.767 268 G HN 1.461 nan 8.290 nan 0.000 0.546 269 G N -1.345 107.448 108.800 -0.012 0.000 2.159 269 G HA2 0.007 3.950 3.960 -0.028 0.000 0.227 269 G HA3 0.007 3.950 3.960 -0.028 0.000 0.227 269 G C 0.716 175.624 174.900 0.014 0.000 0.986 269 G CA 0.145 45.244 45.100 -0.001 0.000 0.651 269 G HN 0.959 nan 8.290 nan 0.000 0.523 270 G N -0.817 107.995 108.800 0.020 0.000 2.543 270 G HA2 0.539 4.483 3.960 -0.028 0.000 0.290 270 G HA3 0.539 4.483 3.960 -0.028 0.000 0.290 270 G C -0.894 174.082 174.900 0.127 0.000 1.310 270 G CA 0.431 45.569 45.100 0.063 0.000 1.025 270 G HN 0.457 nan 8.290 nan 0.000 0.502 271 D N -1.207 119.322 120.400 0.215 0.000 2.602 271 D HA 0.376 4.999 4.640 -0.028 0.000 0.245 271 D C -1.936 174.552 176.300 0.313 0.000 1.325 271 D CA -1.732 52.402 54.000 0.223 0.000 0.952 271 D CB 2.224 43.142 40.800 0.195 0.000 1.317 271 D HN -0.047 nan 8.370 nan 0.000 0.577 272 P HA -0.128 nan 4.420 nan 0.000 0.218 272 P C 1.382 178.691 177.300 0.016 0.000 1.148 272 P CA 0.587 63.751 63.100 0.106 0.000 0.822 272 P CB 0.426 32.154 31.700 0.046 0.000 0.784 273 V N -0.845 119.108 119.914 0.065 0.000 2.809 273 V HA -0.156 3.948 4.120 -0.028 0.000 0.256 273 V C 2.269 178.425 176.094 0.104 0.000 1.080 273 V CA 0.990 63.303 62.300 0.023 0.000 1.102 273 V CB -1.103 30.754 31.823 0.057 0.000 0.705 273 V HN 0.072 nan 8.190 nan 0.000 0.475 274 L N -0.068 121.293 121.223 0.230 0.000 2.046 274 L HA -0.193 4.131 4.340 -0.028 0.000 0.208 274 L C 2.308 179.289 176.870 0.185 0.000 1.077 274 L CA 2.130 57.157 54.840 0.311 0.000 0.747 274 L CB -0.852 41.448 42.059 0.401 0.000 0.896 274 L HN 0.456 nan 8.230 nan 0.000 0.432 275 Y N 0.184 120.357 120.300 -0.212 0.000 2.165 275 Y HA -0.324 4.209 4.550 -0.028 0.000 0.286 275 Y C 2.544 178.204 175.900 -0.399 0.000 1.155 275 Y CA 2.269 59.968 58.100 -0.668 0.000 1.164 275 Y CB -0.266 37.341 38.460 -1.422 0.000 0.978 275 Y HN 0.383 nan 8.280 nan 0.000 0.513 276 Q N -1.114 118.495 119.800 -0.318 0.000 2.084 276 Q HA -0.233 4.090 4.340 -0.028 0.000 0.202 276 Q C 2.133 178.070 176.000 -0.105 0.000 0.978 276 Q CA 1.533 57.152 55.803 -0.307 0.000 0.844 276 Q CB -0.333 28.258 28.738 -0.244 0.000 0.898 276 Q HN 0.623 nan 8.270 nan 0.000 0.426 277 H N 0.308 119.404 119.070 0.044 0.000 2.319 277 H HA -0.114 4.425 4.556 -0.028 0.000 0.299 277 H C 2.162 177.404 175.328 -0.144 0.000 1.092 277 H CA 1.406 57.536 56.048 0.137 0.000 1.302 277 H CB -0.139 29.738 29.762 0.191 0.000 1.373 277 H HN 0.258 nan 8.280 nan 0.000 0.497 278 I N 0.176 120.685 120.570 -0.102 0.000 2.202 278 I HA -0.245 3.909 4.170 -0.028 0.000 0.242 278 I C 2.708 178.666 176.117 -0.265 0.000 1.091 278 I CA 0.694 61.868 61.300 -0.210 0.000 1.368 278 I CB -0.276 37.600 38.000 -0.207 0.000 1.058 278 I HN 0.069 nan 8.210 nan 0.000 0.410 279 L N 0.390 121.267 121.223 -0.577 0.000 1.989 279 L HA -0.206 4.117 4.340 -0.028 0.000 0.211 279 L C 2.207 178.834 176.870 -0.404 0.000 1.071 279 L CA 2.076 56.511 54.840 -0.675 0.000 0.749 279 L CB -0.559 40.782 42.059 -1.196 0.000 0.890 279 L HN 0.205 nan 8.230 nan 0.000 0.431 280 W N -1.743 119.485 121.300 -0.121 0.000 2.595 280 W HA -0.125 4.519 4.660 -0.028 0.000 0.257 280 W C 2.255 178.781 176.519 0.012 0.000 1.267 280 W CA 0.405 57.724 57.345 -0.043 0.000 1.300 280 W CB -0.316 29.191 29.460 0.077 0.000 1.120 280 W HN 0.187 nan 8.180 nan 0.000 0.618 281 F N 0.001 119.894 119.950 -0.094 0.000 2.171 281 F HA -0.227 4.284 4.527 -0.027 0.000 0.300 281 F C 2.238 178.051 175.800 0.023 0.000 1.090 281 F CA 1.749 59.623 58.000 -0.209 0.000 1.293 281 F CB -0.537 38.175 39.000 -0.478 0.000 1.013 281 F HN -0.026 nan 8.300 nan 0.000 0.486 282 F N 0.136 120.098 119.950 0.019 0.000 2.187 282 F HA 0.151 4.661 4.527 -0.027 0.000 0.295 282 F C 2.244 177.998 175.800 -0.077 0.000 1.091 282 F CA 1.453 59.432 58.000 -0.034 0.000 1.308 282 F CB -1.096 37.881 39.000 -0.038 0.000 1.030 282 F HN -0.110 nan 8.300 nan 0.000 0.487 283 G N -0.823 107.715 108.800 -0.436 0.000 2.422 283 G HA2 -0.323 3.621 3.960 -0.028 0.000 0.218 283 G HA3 -0.323 3.621 3.960 -0.028 0.000 0.218 283 G C 1.389 176.148 174.900 -0.235 0.000 1.146 283 G CA 1.232 46.025 45.100 -0.512 0.000 0.769 283 G HN 0.559 nan 8.290 nan 0.000 0.547 284 H N 1.496 120.553 119.070 -0.023 0.000 2.307 284 H HA 0.021 4.561 4.556 -0.028 0.000 0.303 284 H C 0.206 175.472 175.328 -0.104 0.000 1.073 284 H CA 1.501 57.580 56.048 0.051 0.000 1.338 284 H CB -0.434 29.455 29.762 0.211 0.000 1.389 284 H HN 0.242 nan 8.280 nan 0.000 0.503 285 P HA -0.226 nan 4.420 nan 0.000 0.216 285 P C 1.241 178.327 177.300 -0.356 0.000 1.154 285 P CA 2.149 65.021 63.100 -0.380 0.000 0.865 285 P CB -0.071 31.119 31.700 -0.851 0.000 0.789 286 E N 0.200 120.038 120.200 -0.604 0.000 2.164 286 E HA -0.241 4.092 4.350 -0.028 0.000 0.206 286 E C 1.653 177.958 176.600 -0.491 0.000 1.032 286 E CA 2.390 58.405 56.400 -0.641 0.000 0.832 286 E CB -1.284 27.790 29.700 -1.043 0.000 0.742 286 E HN 0.201 nan 8.360 nan 0.000 0.460 287 V N -1.724 117.850 119.914 -0.567 0.000 2.719 287 V HA -0.078 4.025 4.120 -0.028 0.000 0.252 287 V C 1.859 177.570 176.094 -0.638 0.000 1.065 287 V CA 1.458 63.382 62.300 -0.628 0.000 1.086 287 V CB -0.974 30.411 31.823 -0.731 0.000 0.700 287 V HN 0.277 nan 8.190 nan 0.000 0.467 288 Y N 0.560 120.700 120.300 -0.266 0.000 2.337 288 Y HA 0.209 4.742 4.550 -0.028 0.000 0.293 288 Y C 2.334 178.131 175.900 -0.173 0.000 1.123 288 Y CA 1.368 59.378 58.100 -0.149 0.000 1.201 288 Y CB -0.509 37.934 38.460 -0.028 0.000 1.011 288 Y HN 0.170 nan 8.280 nan 0.000 0.545 289 I N -0.243 120.265 120.570 -0.104 0.000 2.208 289 I HA -0.339 3.815 4.170 -0.028 0.000 0.245 289 I C 2.072 178.075 176.117 -0.191 0.000 1.097 289 I CA 1.522 62.724 61.300 -0.163 0.000 1.363 289 I CB -0.413 37.454 38.000 -0.220 0.000 1.051 289 I HN 0.203 nan 8.210 nan 0.000 0.413 290 I N -0.455 119.970 120.570 -0.243 0.000 2.142 290 I HA -0.261 3.893 4.170 -0.028 0.000 0.240 290 I C 2.450 178.451 176.117 -0.194 0.000 1.078 290 I CA 1.345 62.508 61.300 -0.228 0.000 1.343 290 I CB -0.247 37.577 38.000 -0.293 0.000 1.046 290 I HN 0.051 nan 8.210 nan 0.000 0.405 291 V N 0.720 120.474 119.914 -0.266 0.000 3.052 291 V HA -0.043 4.061 4.120 -0.028 0.000 0.254 291 V C 2.120 177.866 176.094 -0.581 0.000 1.100 291 V CA 0.774 62.845 62.300 -0.382 0.000 1.112 291 V CB 0.162 31.722 31.823 -0.439 0.000 0.738 291 V HN 0.275 nan 8.190 nan 0.000 0.469 292 L N 0.597 121.604 121.223 -0.360 0.000 1.989 292 L HA -0.108 4.215 4.340 -0.028 0.000 0.211 292 L C -0.037 176.842 176.870 0.015 0.000 1.071 292 L CA 1.946 56.678 54.840 -0.180 0.000 0.749 292 L CB -1.880 40.210 42.059 0.051 0.000 0.890 292 L HN 0.333 nan 8.230 nan 0.000 0.431 293 P HA -0.170 nan 4.420 nan 0.000 0.218 293 P C 1.324 178.780 177.300 0.260 0.000 1.148 293 P CA 1.679 64.894 63.100 0.193 0.000 0.822 293 P CB -0.008 31.839 31.700 0.245 0.000 0.784 294 A N -1.475 121.383 122.820 0.064 0.000 1.929 294 A HA -0.156 4.148 4.320 -0.028 0.000 0.216 294 A C 1.860 179.392 177.584 -0.087 0.000 1.176 294 A CA 1.115 53.123 52.037 -0.049 0.000 0.628 294 A CB -1.574 17.361 19.000 -0.109 0.000 0.816 294 A HN 0.015 nan 8.150 nan 0.000 0.444 295 F N 0.630 120.555 119.950 -0.042 0.000 2.095 295 F HA -0.090 4.420 4.527 -0.028 0.000 0.298 295 F C 2.677 178.601 175.800 0.207 0.000 1.104 295 F CA 0.609 58.671 58.000 0.104 0.000 1.232 295 F CB -1.496 37.685 39.000 0.302 0.000 0.987 295 F HN 0.268 nan 8.300 nan 0.000 0.475 296 G N 0.307 109.381 108.800 0.456 0.000 2.476 296 G HA2 -0.256 3.688 3.960 -0.028 0.000 0.218 296 G HA3 -0.256 3.688 3.960 -0.028 0.000 0.218 296 G C 1.917 177.034 174.900 0.361 0.000 1.164 296 G CA 1.170 46.564 45.100 0.489 0.000 0.768 296 G HN 0.365 nan 8.290 nan 0.000 0.560 297 I N 0.197 120.896 120.570 0.216 0.000 2.179 297 I HA -0.157 3.997 4.170 -0.028 0.000 0.242 297 I C 2.810 178.746 176.117 -0.303 0.000 1.088 297 I CA 0.497 61.694 61.300 -0.172 0.000 1.357 297 I CB -0.286 37.555 38.000 -0.265 0.000 1.051 297 I HN 0.031 nan 8.210 nan 0.000 0.409 298 V N 0.084 119.791 119.914 -0.345 0.000 2.392 298 V HA -0.313 3.790 4.120 -0.028 0.000 0.249 298 V C 2.549 178.457 176.094 -0.311 0.000 1.059 298 V CA 2.154 64.128 62.300 -0.544 0.000 1.051 298 V CB -0.577 30.601 31.823 -1.075 0.000 0.658 298 V HN 0.380 nan 8.190 nan 0.000 0.455 299 S N -1.596 114.162 115.700 0.097 0.000 2.356 299 S HA -0.207 4.246 4.470 -0.028 0.000 0.223 299 S C 1.828 176.561 174.600 0.220 0.000 1.032 299 S CA 1.444 59.883 58.200 0.397 0.000 1.005 299 S CB -0.431 63.117 63.200 0.582 0.000 0.867 299 S HN 0.706 nan 8.310 nan 0.000 0.449 300 H N -0.215 118.838 119.070 -0.028 0.000 2.353 300 H HA -0.041 4.498 4.556 -0.028 0.000 0.300 300 H C 2.163 177.221 175.328 -0.451 0.000 1.090 300 H CA 1.490 57.458 56.048 -0.134 0.000 1.327 300 H CB -0.076 29.635 29.762 -0.084 0.000 1.383 300 H HN 0.217 nan 8.280 nan 0.000 0.508 301 V N 1.145 120.733 119.914 -0.544 0.000 2.323 301 V HA -0.208 3.896 4.120 -0.028 0.000 0.244 301 V C 2.531 178.465 176.094 -0.267 0.000 1.041 301 V CA 1.326 63.199 62.300 -0.711 0.000 1.025 301 V CB -0.327 31.071 31.823 -0.708 0.000 0.656 301 V HN 0.327 nan 8.190 nan 0.000 0.451 302 I N 0.433 120.891 120.570 -0.187 0.000 2.226 302 I HA -0.228 3.926 4.170 -0.028 0.000 0.245 302 I C 2.690 178.788 176.117 -0.033 0.000 1.100 302 I CA 1.430 62.688 61.300 -0.069 0.000 1.374 302 I CB -0.582 37.398 38.000 -0.034 0.000 1.057 302 I HN 0.297 nan 8.210 nan 0.000 0.413 303 A N 0.470 123.273 122.820 -0.028 0.000 1.908 303 A HA -0.225 4.078 4.320 -0.028 0.000 0.218 303 A C 2.378 179.886 177.584 -0.125 0.000 1.181 303 A CA 2.566 54.587 52.037 -0.028 0.000 0.627 303 A CB -1.116 17.889 19.000 0.008 0.000 0.818 303 A HN 0.383 nan 8.150 nan 0.000 0.445 304 T N -0.687 113.715 114.554 -0.252 0.000 2.708 304 T HA -0.103 4.230 4.350 -0.028 0.000 0.266 304 T C 1.333 175.684 174.700 -0.582 0.000 1.037 304 T CA 1.782 63.595 62.100 -0.478 0.000 1.146 304 T CB -0.392 68.007 68.868 -0.781 0.000 0.865 304 T HN 0.449 nan 8.240 nan 0.000 0.435 305 F N 0.625 120.445 119.950 -0.216 0.000 2.754 305 F HA 0.452 4.963 4.527 -0.028 0.000 0.297 305 F C 2.236 177.945 175.800 -0.152 0.000 1.122 305 F CA -0.165 57.715 58.000 -0.201 0.000 1.400 305 F CB -0.232 38.608 39.000 -0.268 0.000 1.117 305 F HN 0.104 nan 8.300 nan 0.000 0.587 306 A N -0.159 122.646 122.820 -0.026 0.000 2.178 306 A HA 0.062 4.365 4.320 -0.028 0.000 0.211 306 A C 1.163 178.656 177.584 -0.153 0.000 1.157 306 A CA 0.039 52.043 52.037 -0.055 0.000 0.780 306 A CB -0.415 18.575 19.000 -0.018 0.000 0.828 306 A HN 0.262 nan 8.150 nan 0.000 0.476 307 K N -1.081 119.170 120.400 -0.249 0.000 3.150 307 K HA -0.185 4.119 4.320 -0.028 0.000 0.267 307 K C -0.418 175.674 176.600 -0.846 0.000 1.028 307 K CA 1.247 57.175 56.287 -0.599 0.000 0.753 307 K CB -1.375 30.863 32.500 -0.437 0.000 1.288 307 K HN 0.640 nan 8.250 nan 0.000 0.473 308 K N 0.173 120.333 120.400 -0.400 0.000 2.557 308 K HA 0.325 4.628 4.320 -0.028 0.000 0.261 308 K C -2.827 173.768 176.600 -0.009 0.000 0.932 308 K CA -1.735 54.454 56.287 -0.164 0.000 0.829 308 K CB 2.097 34.559 32.500 -0.065 0.000 1.358 308 K HN -0.249 nan 8.250 nan 0.000 0.430 309 P HA 0.110 nan 4.420 nan 0.000 0.274 309 P C -0.296 177.071 177.300 0.112 0.000 1.237 309 P CA -0.553 62.594 63.100 0.080 0.000 0.793 309 P CB 0.563 32.304 31.700 0.068 0.000 0.977 310 I N 1.902 122.550 120.570 0.130 0.000 2.752 310 I HA -0.037 4.117 4.170 -0.028 0.000 0.289 310 I C 0.139 176.371 176.117 0.192 0.000 1.197 310 I CA -0.016 61.397 61.300 0.189 0.000 1.432 310 I CB -0.754 37.374 38.000 0.213 0.000 1.359 310 I HN 0.152 nan 8.210 nan 0.000 0.571 311 F N 7.997 127.993 119.950 0.077 0.000 2.504 311 F HA 0.447 4.958 4.527 -0.026 0.000 0.369 311 F C 1.183 176.991 175.800 0.014 0.000 1.082 311 F CA 0.294 58.322 58.000 0.048 0.000 1.216 311 F CB 0.255 39.284 39.000 0.047 0.000 1.108 311 F HN 0.744 nan 8.300 nan 0.000 0.554 312 G N 6.120 114.717 108.800 -0.338 0.000 2.370 312 G HA2 -0.393 3.551 3.960 -0.028 0.000 0.295 312 G HA3 -0.393 3.551 3.960 -0.028 0.000 0.295 312 G C 0.351 175.220 174.900 -0.051 0.000 1.045 312 G CA 0.528 45.513 45.100 -0.192 0.000 1.199 312 G HN 1.035 nan 8.290 nan 0.000 0.513 313 Y N 0.396 120.618 120.300 -0.131 0.000 2.114 313 Y HA -0.169 4.364 4.550 -0.028 0.000 0.282 313 Y C 2.344 178.135 175.900 -0.181 0.000 1.165 313 Y CA 2.305 60.343 58.100 -0.103 0.000 1.148 313 Y CB -0.067 38.354 38.460 -0.066 0.000 0.972 313 Y HN 0.348 nan 8.280 nan 0.000 0.504 314 L N 0.424 121.529 121.223 -0.197 0.000 2.044 314 L HA -0.054 4.269 4.340 -0.028 0.000 0.205 314 L C -0.303 176.353 176.870 -0.356 0.000 1.075 314 L CA 1.763 56.356 54.840 -0.412 0.000 0.747 314 L CB -2.668 39.251 42.059 -0.232 0.000 0.903 314 L HN 0.163 nan 8.230 nan 0.000 0.435 315 P HA -0.180 nan 4.420 nan 0.000 0.216 315 P C 2.032 179.240 177.300 -0.154 0.000 1.150 315 P CA 1.271 64.336 63.100 -0.059 0.000 0.843 315 P CB -0.042 31.639 31.700 -0.030 0.000 0.787 316 M N -1.279 118.174 119.600 -0.245 0.000 2.117 316 M HA -0.104 4.359 4.480 -0.028 0.000 0.262 316 M C 2.051 178.155 176.300 -0.327 0.000 1.065 316 M CA 1.561 56.691 55.300 -0.283 0.000 1.114 316 M CB -1.622 30.822 32.600 -0.260 0.000 1.361 316 M HN -0.150 nan 8.290 nan 0.000 0.408 317 V N -0.928 118.643 119.914 -0.570 0.000 2.307 317 V HA -0.270 3.834 4.120 -0.028 0.000 0.245 317 V C 2.235 178.036 176.094 -0.488 0.000 1.045 317 V CA 1.617 63.462 62.300 -0.758 0.000 1.024 317 V CB -0.960 30.025 31.823 -1.397 0.000 0.651 317 V HN 0.258 nan 8.190 nan 0.000 0.449 318 Y N 0.597 120.703 120.300 -0.323 0.000 2.293 318 Y HA -0.009 4.524 4.550 -0.028 0.000 0.291 318 Y C 2.476 178.298 175.900 -0.129 0.000 1.137 318 Y CA 0.554 58.533 58.100 -0.202 0.000 1.202 318 Y CB -1.115 37.246 38.460 -0.165 0.000 0.990 318 Y HN 0.185 nan 8.280 nan 0.000 0.537 319 A N -0.148 122.681 122.820 0.014 0.000 1.902 319 A HA -0.205 4.098 4.320 -0.028 0.000 0.217 319 A C 2.301 179.905 177.584 0.032 0.000 1.181 319 A CA 1.813 53.845 52.037 -0.007 0.000 0.623 319 A CB -0.720 18.231 19.000 -0.082 0.000 0.818 319 A HN 0.398 nan 8.150 nan 0.000 0.443 320 M N -0.691 118.932 119.600 0.039 0.000 2.159 320 M HA -0.121 4.343 4.480 -0.028 0.000 0.263 320 M C 2.095 178.467 176.300 0.121 0.000 1.063 320 M CA 1.233 56.617 55.300 0.139 0.000 1.110 320 M CB -0.458 32.245 32.600 0.172 0.000 1.374 320 M HN 0.269 nan 8.290 nan 0.000 0.411 321 V N 0.406 120.368 119.914 0.081 0.000 2.307 321 V HA -0.227 3.876 4.120 -0.028 0.000 0.245 321 V C 2.655 178.792 176.094 0.073 0.000 1.045 321 V CA 1.999 64.355 62.300 0.094 0.000 1.024 321 V CB -1.175 30.715 31.823 0.112 0.000 0.651 321 V HN 0.499 nan 8.190 nan 0.000 0.449 322 A N -0.038 122.816 122.820 0.057 0.000 1.877 322 A HA -0.171 4.133 4.320 -0.028 0.000 0.216 322 A C 2.185 179.772 177.584 0.005 0.000 1.186 322 A CA 1.895 53.947 52.037 0.025 0.000 0.620 322 A CB -0.562 18.445 19.000 0.012 0.000 0.822 322 A HN 0.491 nan 8.150 nan 0.000 0.443 323 I N -0.215 120.363 120.570 0.013 0.000 2.163 323 I HA -0.252 3.901 4.170 -0.028 0.000 0.243 323 I C 2.728 178.762 176.117 -0.139 0.000 1.085 323 I CA 1.272 62.537 61.300 -0.058 0.000 1.347 323 I CB -0.687 37.365 38.000 0.087 0.000 1.044 323 I HN 0.406 nan 8.210 nan 0.000 0.408 324 G N 0.328 109.133 108.800 0.008 0.000 2.440 324 G HA2 -0.197 3.747 3.960 -0.028 0.000 0.218 324 G HA3 -0.197 3.747 3.960 -0.028 0.000 0.218 324 G C 1.696 176.680 174.900 0.140 0.000 1.154 324 G CA 1.048 46.192 45.100 0.073 0.000 0.767 324 G HN 0.256 nan 8.290 nan 0.000 0.552 325 V N 0.815 120.798 119.914 0.115 0.000 2.270 325 V HA -0.066 4.037 4.120 -0.028 0.000 0.245 325 V C 2.898 179.074 176.094 0.136 0.000 1.043 325 V CA 1.345 63.736 62.300 0.152 0.000 1.014 325 V CB -0.465 31.401 31.823 0.071 0.000 0.645 325 V HN 0.330 nan 8.190 nan 0.000 0.447 326 L N 0.629 121.865 121.223 0.022 0.000 2.127 326 L HA -0.131 4.193 4.340 -0.028 0.000 0.211 326 L C 2.541 179.350 176.870 -0.101 0.000 1.089 326 L CA 1.595 56.417 54.840 -0.030 0.000 0.757 326 L CB -1.047 40.961 42.059 -0.085 0.000 0.899 326 L HN 0.507 nan 8.230 nan 0.000 0.434 327 G N -0.902 107.770 108.800 -0.214 0.000 2.501 327 G HA2 -0.255 3.689 3.960 -0.028 0.000 0.220 327 G HA3 -0.255 3.689 3.960 -0.028 0.000 0.220 327 G C 1.195 175.961 174.900 -0.223 0.000 1.114 327 G CA 0.313 45.238 45.100 -0.291 0.000 0.757 327 G HN 0.289 nan 8.290 nan 0.000 0.559 328 F N -0.217 119.719 119.950 -0.023 0.000 2.776 328 F HA 0.180 4.691 4.527 -0.027 0.000 0.300 328 F C 1.856 177.764 175.800 0.180 0.000 1.116 328 F CA 0.250 58.210 58.000 -0.067 0.000 1.375 328 F CB 0.894 39.839 39.000 -0.092 0.000 1.109 328 F HN 0.085 nan 8.300 nan 0.000 0.585 329 V N -2.096 118.038 119.914 0.366 0.000 3.070 329 V HA 0.277 4.381 4.120 -0.028 0.000 0.345 329 V C 0.445 176.720 176.094 0.302 0.000 1.403 329 V CA 0.375 62.961 62.300 0.476 0.000 1.155 329 V CB -0.239 31.787 31.823 0.339 0.000 1.140 329 V HN 0.031 nan 8.190 nan 0.000 0.505 330 V N -3.802 116.253 119.914 0.234 0.000 3.398 330 V HA 0.296 4.400 4.120 -0.028 0.000 0.298 330 V C 1.631 177.536 176.094 -0.314 0.000 1.496 330 V CA 0.287 62.593 62.300 0.010 0.000 1.044 330 V CB -0.572 31.150 31.823 -0.168 0.000 0.880 330 V HN 0.716 nan 8.190 nan 0.000 0.443 331 W N 2.111 123.353 121.300 -0.097 0.000 2.331 331 W HA 0.044 4.687 4.660 -0.028 0.000 0.291 331 W C 1.827 178.052 176.519 -0.490 0.000 1.214 331 W CA 1.803 59.030 57.345 -0.197 0.000 1.228 331 W CB -0.919 28.612 29.460 0.117 0.000 1.135 331 W HN 0.242 nan 8.180 nan 0.000 0.537 332 A N 1.755 123.659 122.820 -1.526 0.000 2.239 332 A HA -0.123 4.180 4.320 -0.028 0.000 0.209 332 A C 1.780 178.714 177.584 -1.083 0.000 1.171 332 A CA 1.059 52.278 52.037 -1.363 0.000 0.768 332 A CB -1.835 15.986 19.000 -1.964 0.000 0.790 332 A HN 0.794 nan 8.150 nan 0.000 0.478 333 H N -2.826 115.673 119.070 -0.952 0.000 2.559 333 H HA 0.003 4.542 4.556 -0.027 0.000 0.273 333 H C 0.731 175.324 175.328 -1.226 0.000 1.000 333 H CA 0.883 56.133 56.048 -1.330 0.000 1.195 333 H CB -0.320 28.971 29.762 -0.785 0.000 1.368 333 H HN 0.662 nan 8.280 nan 0.000 0.592 334 H N 0.415 119.057 119.070 -0.715 0.000 2.539 334 H HA 0.197 4.736 4.556 -0.028 0.000 0.269 334 H C 0.671 175.611 175.328 -0.646 0.000 0.980 334 H CA 0.317 55.869 56.048 -0.827 0.000 1.152 334 H CB 0.501 29.152 29.762 -1.850 0.000 1.407 334 H HN 0.494 nan 8.280 nan 0.000 0.564 335 M N -0.628 118.651 119.600 -0.534 0.000 2.511 335 M HA 0.082 4.545 4.480 -0.028 0.000 0.387 335 M C 0.379 176.536 176.300 -0.238 0.000 1.112 335 M CA -0.193 54.904 55.300 -0.339 0.000 0.921 335 M CB 0.641 33.052 32.600 -0.315 0.000 1.501 335 M HN -0.031 nan 8.290 nan 0.000 0.538 336 Y N 0.842 120.988 120.300 -0.255 0.000 2.315 336 Y HA -0.142 4.392 4.550 -0.028 0.000 0.288 336 Y C 2.781 178.588 175.900 -0.156 0.000 1.154 336 Y CA 1.763 59.756 58.100 -0.178 0.000 1.229 336 Y CB -0.921 37.452 38.460 -0.145 0.000 0.980 336 Y HN 0.369 nan 8.280 nan 0.000 0.540 337 T N -4.162 110.340 114.554 -0.087 0.000 3.092 337 T HA 0.465 4.798 4.350 -0.028 0.000 0.258 337 T C 1.483 176.168 174.700 -0.025 0.000 1.031 337 T CA 0.304 62.369 62.100 -0.058 0.000 0.925 337 T CB -0.086 68.737 68.868 -0.075 0.000 1.036 337 T HN 0.157 nan 8.240 nan 0.000 0.544 338 A N 0.785 123.583 122.820 -0.037 0.000 2.275 338 A HA 0.673 4.977 4.320 -0.028 0.000 0.212 338 A C 1.669 179.266 177.584 0.023 0.000 1.201 338 A CA 0.141 52.177 52.037 -0.001 0.000 0.843 338 A CB -0.803 18.179 19.000 -0.030 0.000 0.873 338 A HN 1.401 nan 8.150 nan 0.000 0.492 339 G N -0.690 108.131 108.800 0.034 0.000 2.226 339 G HA2 -0.125 3.819 3.960 -0.028 0.000 0.176 339 G HA3 -0.125 3.819 3.960 -0.028 0.000 0.176 339 G C -0.212 174.733 174.900 0.075 0.000 1.042 339 G CA -0.187 44.946 45.100 0.055 0.000 0.732 339 G HN 0.331 nan 8.290 nan 0.000 0.494 340 L N 1.758 123.028 121.223 0.077 0.000 2.350 340 L HA 0.543 4.866 4.340 -0.028 0.000 0.275 340 L C 1.607 178.539 176.870 0.104 0.000 1.099 340 L CA -0.160 54.747 54.840 0.112 0.000 0.808 340 L CB 1.346 43.480 42.059 0.124 0.000 1.149 340 L HN 0.530 nan 8.230 nan 0.000 0.442 341 S N 2.081 117.849 115.700 0.113 0.000 2.576 341 S HA -0.010 4.443 4.470 -0.028 0.000 0.272 341 S C 0.926 175.579 174.600 0.088 0.000 1.352 341 S CA -0.586 57.668 58.200 0.089 0.000 1.021 341 S CB 0.793 64.045 63.200 0.087 0.000 0.887 341 S HN 0.574 nan 8.310 nan 0.000 0.542 342 L N 2.342 123.600 121.223 0.058 0.000 2.127 342 L HA -0.029 4.294 4.340 -0.028 0.000 0.211 342 L C 2.422 179.327 176.870 0.058 0.000 1.089 342 L CA 2.290 57.155 54.840 0.041 0.000 0.757 342 L CB -1.773 40.299 42.059 0.020 0.000 0.899 342 L HN 0.984 nan 8.230 nan 0.000 0.434 343 T N -0.750 113.844 114.554 0.067 0.000 2.708 343 T HA -0.214 4.120 4.350 -0.028 0.000 0.266 343 T C 1.800 176.578 174.700 0.130 0.000 1.037 343 T CA 1.796 63.941 62.100 0.073 0.000 1.146 343 T CB -0.179 68.719 68.868 0.051 0.000 0.865 343 T HN 0.484 nan 8.240 nan 0.000 0.435 344 Q N 0.728 120.635 119.800 0.178 0.000 2.084 344 Q HA -0.132 4.192 4.340 -0.028 0.000 0.202 344 Q C 2.601 178.859 176.000 0.430 0.000 0.978 344 Q CA 1.290 57.289 55.803 0.326 0.000 0.844 344 Q CB -0.189 28.754 28.738 0.341 0.000 0.898 344 Q HN 0.607 nan 8.270 nan 0.000 0.426 345 Q N -0.119 119.846 119.800 0.275 0.000 2.084 345 Q HA -0.125 4.199 4.340 -0.028 0.000 0.202 345 Q C 2.300 178.389 176.000 0.149 0.000 0.978 345 Q CA 1.474 57.421 55.803 0.241 0.000 0.844 345 Q CB 0.013 28.785 28.738 0.057 0.000 0.898 345 Q HN 0.246 nan 8.270 nan 0.000 0.426 346 S N 0.368 116.120 115.700 0.087 0.000 2.356 346 S HA -0.193 4.260 4.470 -0.028 0.000 0.223 346 S C 1.665 176.289 174.600 0.041 0.000 1.032 346 S CA 1.372 59.593 58.200 0.034 0.000 1.005 346 S CB -0.475 62.742 63.200 0.027 0.000 0.867 346 S HN 0.459 nan 8.310 nan 0.000 0.449 347 Y N 1.647 121.930 120.300 -0.028 0.000 2.114 347 Y HA -0.168 4.366 4.550 -0.027 0.000 0.284 347 Y C 1.827 177.631 175.900 -0.160 0.000 1.143 347 Y CA 1.354 59.363 58.100 -0.151 0.000 1.135 347 Y CB -0.788 37.489 38.460 -0.305 0.000 0.980 347 Y HN 0.178 nan 8.280 nan 0.000 0.499 348 F N 0.070 119.810 119.950 -0.350 0.000 2.216 348 F HA -0.237 4.274 4.527 -0.028 0.000 0.300 348 F C 2.740 178.413 175.800 -0.212 0.000 1.085 348 F CA 1.814 59.551 58.000 -0.439 0.000 1.326 348 F CB -0.673 38.215 39.000 -0.186 0.000 1.027 348 F HN 0.195 nan 8.300 nan 0.000 0.497 349 M N -0.397 119.283 119.600 0.134 0.000 2.065 349 M HA -0.293 4.170 4.480 -0.028 0.000 0.259 349 M C 2.162 178.425 176.300 -0.062 0.000 1.069 349 M CA 1.964 57.309 55.300 0.076 0.000 1.110 349 M CB -0.200 32.388 32.600 -0.021 0.000 1.328 349 M HN 0.165 nan 8.290 nan 0.000 0.405 350 M N -0.290 119.224 119.600 -0.142 0.000 2.132 350 M HA -0.100 4.363 4.480 -0.028 0.000 0.263 350 M C 2.381 178.562 176.300 -0.198 0.000 1.065 350 M CA 1.534 56.748 55.300 -0.144 0.000 1.122 350 M CB -0.605 31.927 32.600 -0.112 0.000 1.365 350 M HN 0.525 nan 8.290 nan 0.000 0.411 351 A N 0.173 122.755 122.820 -0.396 0.000 1.892 351 A HA -0.183 4.121 4.320 -0.028 0.000 0.218 351 A C 2.198 179.671 177.584 -0.184 0.000 1.188 351 A CA 2.441 54.255 52.037 -0.371 0.000 0.631 351 A CB -1.265 17.294 19.000 -0.735 0.000 0.822 351 A HN 0.465 nan 8.150 nan 0.000 0.447 352 T N 0.094 114.573 114.554 -0.125 0.000 2.746 352 T HA -0.154 4.180 4.350 -0.028 0.000 0.267 352 T C 1.908 176.583 174.700 -0.041 0.000 1.039 352 T CA 1.808 63.892 62.100 -0.025 0.000 1.142 352 T CB -0.344 68.567 68.868 0.071 0.000 0.866 352 T HN 0.469 nan 8.240 nan 0.000 0.444 353 M N 0.733 120.301 119.600 -0.053 0.000 2.202 353 M HA -0.101 4.362 4.480 -0.028 0.000 0.262 353 M C 2.353 178.634 176.300 -0.031 0.000 1.063 353 M CA 1.112 56.387 55.300 -0.042 0.000 1.097 353 M CB -0.664 31.909 32.600 -0.046 0.000 1.382 353 M HN 0.095 nan 8.290 nan 0.000 0.413 354 V N 0.676 120.565 119.914 -0.043 0.000 2.469 354 V HA -0.269 3.835 4.120 -0.028 0.000 0.251 354 V C 2.154 178.240 176.094 -0.015 0.000 1.064 354 V CA 1.679 63.960 62.300 -0.031 0.000 1.066 354 V CB -0.731 31.068 31.823 -0.041 0.000 0.667 354 V HN 0.478 nan 8.190 nan 0.000 0.461 355 I N 0.723 121.285 120.570 -0.013 0.000 2.335 355 I HA -0.270 3.883 4.170 -0.028 0.000 0.251 355 I C 2.610 178.760 176.117 0.056 0.000 1.129 355 I CA 1.363 62.672 61.300 0.015 0.000 1.402 355 I CB -0.571 37.446 38.000 0.028 0.000 1.069 355 I HN 0.312 nan 8.210 nan 0.000 0.424 356 A N 0.350 123.194 122.820 0.040 0.000 2.024 356 A HA -0.140 4.164 4.320 -0.028 0.000 0.220 356 A C 2.391 179.993 177.584 0.031 0.000 1.164 356 A CA 1.646 53.706 52.037 0.038 0.000 0.643 356 A CB -0.719 18.290 19.000 0.014 0.000 0.806 356 A HN 0.279 nan 8.150 nan 0.000 0.451 357 V N 0.847 120.777 119.914 0.026 0.000 2.255 357 V HA -0.111 3.992 4.120 -0.028 0.000 0.243 357 V C -0.074 176.031 176.094 0.018 0.000 1.038 357 V CA 2.096 64.412 62.300 0.028 0.000 1.008 357 V CB -1.546 30.288 31.823 0.018 0.000 0.645 357 V HN 0.421 nan 8.190 nan 0.000 0.449 358 P HA -0.108 nan 4.420 nan 0.000 0.218 358 P C 1.630 178.909 177.300 -0.035 0.000 1.149 358 P CA 1.541 64.637 63.100 -0.007 0.000 0.817 358 P CB -0.229 31.475 31.700 0.007 0.000 0.785 359 T N -0.462 114.099 114.554 0.013 0.000 2.777 359 T HA -0.044 4.289 4.350 -0.028 0.000 0.266 359 T C 2.139 176.775 174.700 -0.108 0.000 1.040 359 T CA 1.707 63.814 62.100 0.013 0.000 1.141 359 T CB -1.124 67.874 68.868 0.216 0.000 0.868 359 T HN 0.187 nan 8.240 nan 0.000 0.444 360 G N 1.344 110.077 108.800 -0.112 0.000 2.422 360 G HA2 -0.140 3.803 3.960 -0.028 0.000 0.218 360 G HA3 -0.140 3.803 3.960 -0.028 0.000 0.218 360 G C 1.527 176.266 174.900 -0.268 0.000 1.146 360 G CA 0.429 45.349 45.100 -0.299 0.000 0.769 360 G HN 0.478 nan 8.290 nan 0.000 0.547 361 I N 0.454 120.984 120.570 -0.068 0.000 2.163 361 I HA -0.222 3.932 4.170 -0.028 0.000 0.243 361 I C 2.846 178.842 176.117 -0.202 0.000 1.085 361 I CA 1.420 62.706 61.300 -0.022 0.000 1.347 361 I CB -0.125 37.861 38.000 -0.023 0.000 1.044 361 I HN 0.153 nan 8.210 nan 0.000 0.408 362 K N 0.394 120.547 120.400 -0.412 0.000 2.026 362 K HA -0.148 4.156 4.320 -0.028 0.000 0.208 362 K C 2.110 178.166 176.600 -0.907 0.000 1.048 362 K CA 1.235 56.996 56.287 -0.877 0.000 0.929 362 K CB -0.141 31.669 32.500 -1.150 0.000 0.713 362 K HN 0.210 nan 8.250 nan 0.000 0.439 363 I N 0.766 121.075 120.570 -0.436 0.000 2.163 363 I HA -0.250 3.904 4.170 -0.028 0.000 0.243 363 I C 2.288 178.390 176.117 -0.025 0.000 1.085 363 I CA 1.669 62.949 61.300 -0.033 0.000 1.347 363 I CB -1.029 36.863 38.000 -0.180 0.000 1.044 363 I HN 0.016 nan 8.210 nan 0.000 0.408 364 F N 1.377 121.310 119.950 -0.029 0.000 2.171 364 F HA -0.121 4.389 4.527 -0.029 0.000 0.300 364 F C 2.854 178.556 175.800 -0.162 0.000 1.090 364 F CA 0.980 58.932 58.000 -0.079 0.000 1.293 364 F CB -1.425 37.509 39.000 -0.110 0.000 1.013 364 F HN 0.000 nan 8.300 nan 0.000 0.486 365 S N -1.036 114.645 115.700 -0.033 0.000 2.382 365 S HA -0.181 4.272 4.470 -0.028 0.000 0.228 365 S C 1.895 176.500 174.600 0.008 0.000 1.027 365 S CA 0.964 59.119 58.200 -0.075 0.000 0.991 365 S CB -0.406 62.752 63.200 -0.070 0.000 0.823 365 S HN 0.389 nan 8.310 nan 0.000 0.469 366 W N 1.582 122.916 121.300 0.058 0.000 2.381 366 W HA 0.101 4.744 4.660 -0.028 0.000 0.301 366 W C 1.998 178.562 176.519 0.075 0.000 1.205 366 W CA 0.154 57.539 57.345 0.066 0.000 1.285 366 W CB -1.081 28.415 29.460 0.060 0.000 1.133 366 W HN 0.317 nan 8.180 nan 0.000 0.521 367 I N 0.409 121.164 120.570 0.309 0.000 2.286 367 I HA -0.253 3.900 4.170 -0.028 0.000 0.248 367 I C 2.554 178.784 176.117 0.189 0.000 1.115 367 I CA 1.534 62.985 61.300 0.253 0.000 1.392 367 I CB -0.935 37.221 38.000 0.259 0.000 1.065 367 I HN -0.192 nan 8.210 nan 0.000 0.418 368 A N 0.309 123.112 122.820 -0.029 0.000 2.015 368 A HA -0.150 4.153 4.320 -0.028 0.000 0.219 368 A C 2.360 179.966 177.584 0.038 0.000 1.163 368 A CA 2.046 53.933 52.037 -0.249 0.000 0.646 368 A CB -0.928 17.377 19.000 -1.157 0.000 0.806 368 A HN 0.374 nan 8.150 nan 0.000 0.448 369 T N 0.318 114.966 114.554 0.157 0.000 2.746 369 T HA -0.150 4.183 4.350 -0.028 0.000 0.267 369 T C 1.893 176.704 174.700 0.185 0.000 1.039 369 T CA 1.815 64.057 62.100 0.237 0.000 1.142 369 T CB -0.321 68.708 68.868 0.268 0.000 0.866 369 T HN 0.484 nan 8.240 nan 0.000 0.444 370 M N -0.578 119.133 119.600 0.184 0.000 2.296 370 M HA 0.016 4.479 4.480 -0.028 0.000 0.265 370 M C 0.953 177.327 176.300 0.124 0.000 1.064 370 M CA 0.582 55.958 55.300 0.125 0.000 1.109 370 M CB -0.087 32.584 32.600 0.119 0.000 1.396 370 M HN 0.306 nan 8.290 nan 0.000 0.430 371 W N 1.911 123.215 121.300 0.007 0.000 2.381 371 W HA 0.165 4.815 4.660 -0.017 0.000 0.321 371 W C 0.825 177.349 176.519 0.009 0.000 1.407 371 W CA 1.580 58.923 57.345 -0.004 0.000 1.274 371 W CB 0.289 29.730 29.460 -0.032 0.000 1.310 371 W HN 0.571 nan 8.180 nan 0.000 0.551 372 G N 3.675 112.402 108.800 -0.121 0.000 2.148 372 G HA2 -0.240 3.704 3.960 -0.028 0.000 0.254 372 G HA3 -0.240 3.704 3.960 -0.028 0.000 0.254 372 G C 0.281 175.166 174.900 -0.025 0.000 0.981 372 G CA 0.062 45.144 45.100 -0.029 0.000 0.670 372 G HN 0.910 nan 8.290 nan 0.000 0.528 373 G N -0.973 107.797 108.800 -0.050 0.000 2.537 373 G HA2 0.581 4.524 3.960 -0.028 0.000 0.297 373 G HA3 0.581 4.524 3.960 -0.028 0.000 0.297 373 G C 0.135 174.988 174.900 -0.078 0.000 1.310 373 G CA 0.569 45.634 45.100 -0.059 0.000 1.027 373 G HN 1.093 nan 8.290 nan 0.000 0.505 374 S N -0.277 115.373 115.700 -0.082 0.000 2.516 374 S HA 0.425 4.879 4.470 -0.028 0.000 0.268 374 S C -0.133 174.439 174.600 -0.047 0.000 1.251 374 S CA -0.629 57.533 58.200 -0.062 0.000 1.153 374 S CB -0.517 62.653 63.200 -0.050 0.000 1.009 374 S HN 0.349 nan 8.310 nan 0.000 0.479 375 I N 3.806 124.349 120.570 -0.045 0.000 2.352 375 I HA 0.274 4.427 4.170 -0.028 0.000 0.290 375 I C 0.531 176.641 176.117 -0.011 0.000 1.036 375 I CA -0.145 61.137 61.300 -0.030 0.000 1.336 375 I CB 0.874 38.843 38.000 -0.052 0.000 1.407 375 I HN 0.554 nan 8.210 nan 0.000 0.497 376 E N 7.200 127.419 120.200 0.032 0.000 2.113 376 E HA 0.291 4.625 4.350 -0.028 0.000 0.273 376 E C -0.470 176.101 176.600 -0.049 0.000 0.924 376 E CA -0.618 55.810 56.400 0.047 0.000 0.764 376 E CB 1.028 30.826 29.700 0.164 0.000 1.104 376 E HN 0.617 nan 8.360 nan 0.000 0.406 377 L N 5.307 126.473 121.223 -0.095 0.000 2.955 377 L HA 0.158 4.482 4.340 -0.028 0.000 0.238 377 L C 0.450 177.169 176.870 -0.252 0.000 1.359 377 L CA -0.176 54.547 54.840 -0.195 0.000 1.214 377 L CB -0.523 41.451 42.059 -0.141 0.000 1.600 377 L HN 0.280 nan 8.230 nan 0.000 0.442 378 K N -0.111 120.088 120.400 -0.335 0.000 2.219 378 K HA 0.117 4.420 4.320 -0.028 0.000 0.258 378 K C 1.408 177.710 176.600 -0.497 0.000 1.008 378 K CA -0.062 56.027 56.287 -0.329 0.000 0.928 378 K CB 0.905 33.203 32.500 -0.337 0.000 0.983 378 K HN 0.061 nan 8.250 nan 0.000 0.484 379 T N 2.615 116.986 114.554 -0.305 0.000 2.653 379 T HA -0.142 4.192 4.350 -0.028 0.000 0.268 379 T C -1.077 173.335 174.700 -0.481 0.000 1.035 379 T CA 1.740 63.556 62.100 -0.473 0.000 1.154 379 T CB -0.782 67.796 68.868 -0.482 0.000 0.862 379 T HN 0.488 nan 8.240 nan 0.000 0.441 380 P HA -0.010 nan 4.420 nan 0.000 0.218 380 P C 1.534 178.559 177.300 -0.458 0.000 1.149 380 P CA 0.830 63.766 63.100 -0.273 0.000 0.817 380 P CB -0.108 31.420 31.700 -0.287 0.000 0.785 381 M N -1.084 118.031 119.600 -0.808 0.000 2.175 381 M HA -0.055 4.409 4.480 -0.028 0.000 0.264 381 M C 1.799 177.778 176.300 -0.534 0.000 1.063 381 M CA 1.633 56.567 55.300 -0.609 0.000 1.119 381 M CB -1.333 30.886 32.600 -0.636 0.000 1.377 381 M HN -0.196 nan 8.290 nan 0.000 0.415 382 L N -1.758 118.997 121.223 -0.781 0.000 2.017 382 L HA -0.219 4.104 4.340 -0.028 0.000 0.208 382 L C 2.177 178.389 176.870 -1.097 0.000 1.073 382 L CA 1.572 55.653 54.840 -1.264 0.000 0.745 382 L CB -0.859 39.975 42.059 -2.042 0.000 0.894 382 L HN 0.416 nan 8.230 nan 0.000 0.432 383 W N -0.293 120.642 121.300 -0.608 0.000 2.338 383 W HA -0.207 4.440 4.660 -0.021 0.000 0.304 383 W C 2.731 179.301 176.519 0.085 0.000 1.212 383 W CA 0.887 58.171 57.345 -0.102 0.000 1.264 383 W CB -0.388 29.005 29.460 -0.113 0.000 1.142 383 W HN 0.106 nan 8.180 nan 0.000 0.512 384 A N 0.067 122.939 122.820 0.087 0.000 1.898 384 A HA -0.146 4.157 4.320 -0.028 0.000 0.216 384 A C 1.937 179.561 177.584 0.067 0.000 1.181 384 A CA 1.373 53.400 52.037 -0.018 0.000 0.620 384 A CB -0.962 17.904 19.000 -0.222 0.000 0.819 384 A HN 0.303 nan 8.150 nan 0.000 0.442 385 L N -0.797 120.423 121.223 -0.005 0.000 2.056 385 L HA -0.092 4.231 4.340 -0.028 0.000 0.207 385 L C 2.857 179.861 176.870 0.224 0.000 1.078 385 L CA 1.007 55.873 54.840 0.043 0.000 0.749 385 L CB -0.829 41.171 42.059 -0.098 0.000 0.901 385 L HN 0.487 nan 8.230 nan 0.000 0.433 386 G N -0.120 108.885 108.800 0.341 0.000 2.446 386 G HA2 -0.354 3.589 3.960 -0.028 0.000 0.217 386 G HA3 -0.354 3.589 3.960 -0.028 0.000 0.217 386 G C 1.501 176.706 174.900 0.508 0.000 1.168 386 G CA 0.793 46.283 45.100 0.650 0.000 0.771 386 G HN 0.307 nan 8.290 nan 0.000 0.551 387 F N 1.414 121.586 119.950 0.370 0.000 2.091 387 F HA -0.143 4.366 4.527 -0.029 0.000 0.299 387 F C 2.495 178.391 175.800 0.160 0.000 1.103 387 F CA 1.574 59.686 58.000 0.187 0.000 1.228 387 F CB -0.288 38.777 39.000 0.109 0.000 0.984 387 F HN 0.074 nan 8.300 nan 0.000 0.477 388 L N -1.000 120.433 121.223 0.351 0.000 1.989 388 L HA -0.250 4.074 4.340 -0.028 0.000 0.211 388 L C 2.480 179.489 176.870 0.232 0.000 1.071 388 L CA 1.859 56.867 54.840 0.279 0.000 0.749 388 L CB -1.087 41.137 42.059 0.276 0.000 0.890 388 L HN 0.280 nan 8.230 nan 0.000 0.431 389 F N 0.548 120.574 119.950 0.127 0.000 2.146 389 F HA -0.162 4.354 4.527 -0.019 0.000 0.298 389 F C 2.101 177.938 175.800 0.062 0.000 1.096 389 F CA 1.501 59.569 58.000 0.114 0.000 1.275 389 F CB -0.201 38.905 39.000 0.178 0.000 1.008 389 F HN -0.133 nan 8.300 nan 0.000 0.480 390 L N -1.489 119.616 121.223 -0.197 0.000 2.162 390 L HA -0.081 4.242 4.340 -0.028 0.000 0.205 390 L C 2.338 179.051 176.870 -0.262 0.000 1.086 390 L CA 0.814 55.452 54.840 -0.335 0.000 0.778 390 L CB -0.883 40.992 42.059 -0.307 0.000 0.928 390 L HN 0.144 nan 8.230 nan 0.000 0.446 391 F N 0.996 120.656 119.950 -0.483 0.000 2.216 391 F HA -0.226 4.284 4.527 -0.029 0.000 0.300 391 F C 2.344 177.977 175.800 -0.278 0.000 1.085 391 F CA 1.748 59.450 58.000 -0.498 0.000 1.326 391 F CB -0.270 38.143 39.000 -0.978 0.000 1.027 391 F HN -0.057 nan 8.300 nan 0.000 0.497 392 T N -0.195 114.236 114.554 -0.205 0.000 2.737 392 T HA -0.147 4.186 4.350 -0.028 0.000 0.265 392 T C 2.205 176.715 174.700 -0.317 0.000 1.038 392 T CA 1.530 63.504 62.100 -0.212 0.000 1.144 392 T CB -0.622 68.212 68.868 -0.057 0.000 0.866 392 T HN 0.102 nan 8.240 nan 0.000 0.434 393 V N 1.467 121.140 119.914 -0.402 0.000 2.282 393 V HA -0.175 3.928 4.120 -0.028 0.000 0.249 393 V C 2.825 178.649 176.094 -0.450 0.000 1.057 393 V CA 2.153 64.165 62.300 -0.480 0.000 1.032 393 V CB -1.282 30.119 31.823 -0.704 0.000 0.645 393 V HN 0.617 nan 8.190 nan 0.000 0.447 394 G N -0.548 108.013 108.800 -0.398 0.000 2.408 394 G HA2 -0.091 3.852 3.960 -0.028 0.000 0.217 394 G HA3 -0.091 3.852 3.960 -0.028 0.000 0.217 394 G C 1.591 176.340 174.900 -0.251 0.000 1.150 394 G CA 0.833 45.753 45.100 -0.300 0.000 0.776 394 G HN 0.595 nan 8.290 nan 0.000 0.542 395 G N 0.812 109.330 108.800 -0.470 0.000 2.402 395 G HA2 -0.122 3.822 3.960 -0.028 0.000 0.216 395 G HA3 -0.122 3.822 3.960 -0.028 0.000 0.216 395 G C 1.951 176.729 174.900 -0.203 0.000 1.162 395 G CA 1.916 46.788 45.100 -0.380 0.000 0.777 395 G HN 0.705 nan 8.290 nan 0.000 0.539 396 V N 0.078 119.869 119.914 -0.203 0.000 2.515 396 V HA -0.114 3.990 4.120 -0.028 0.000 0.250 396 V C 2.874 178.885 176.094 -0.140 0.000 1.058 396 V CA 2.486 64.698 62.300 -0.147 0.000 1.064 396 V CB -1.456 30.288 31.823 -0.131 0.000 0.675 396 V HN 0.455 nan 8.190 nan 0.000 0.461 397 T N -1.511 112.941 114.554 -0.170 0.000 2.951 397 T HA 0.050 4.383 4.350 -0.028 0.000 0.268 397 T C 2.020 176.573 174.700 -0.245 0.000 1.073 397 T CA 1.322 63.331 62.100 -0.153 0.000 1.134 397 T CB -0.828 67.873 68.868 -0.279 0.000 0.884 397 T HN 0.641 nan 8.240 nan 0.000 0.479 398 G N 2.034 110.614 108.800 -0.367 0.000 2.418 398 G HA2 -0.092 3.851 3.960 -0.028 0.000 0.217 398 G HA3 -0.092 3.851 3.960 -0.028 0.000 0.217 398 G C 1.486 176.197 174.900 -0.315 0.000 1.158 398 G CA 0.775 45.510 45.100 -0.608 0.000 0.771 398 G HN 0.447 nan 8.290 nan 0.000 0.545 399 I N 0.938 121.400 120.570 -0.180 0.000 2.179 399 I HA -0.133 4.020 4.170 -0.028 0.000 0.242 399 I C 3.038 179.105 176.117 -0.083 0.000 1.088 399 I CA 0.695 61.927 61.300 -0.112 0.000 1.357 399 I CB -1.229 36.727 38.000 -0.074 0.000 1.051 399 I HN 0.034 nan 8.210 nan 0.000 0.409 400 V N 1.333 121.212 119.914 -0.057 0.000 2.250 400 V HA -0.316 3.788 4.120 -0.028 0.000 0.253 400 V C 2.618 178.721 176.094 0.015 0.000 1.065 400 V CA 1.947 64.247 62.300 0.001 0.000 1.039 400 V CB -0.746 31.116 31.823 0.066 0.000 0.647 400 V HN 0.360 nan 8.190 nan 0.000 0.446 401 L N 0.781 121.989 121.223 -0.026 0.000 2.201 401 L HA -0.127 4.197 4.340 -0.028 0.000 0.212 401 L C 2.631 179.513 176.870 0.019 0.000 1.105 401 L CA 1.552 56.391 54.840 -0.002 0.000 0.775 401 L CB -0.658 41.323 42.059 -0.130 0.000 0.913 401 L HN 0.583 nan 8.230 nan 0.000 0.440 402 S N -1.388 114.277 115.700 -0.058 0.000 2.447 402 S HA -0.116 4.338 4.470 -0.028 0.000 0.233 402 S C 1.079 175.722 174.600 0.072 0.000 1.006 402 S CA 0.336 58.549 58.200 0.021 0.000 0.957 402 S CB -0.279 62.879 63.200 -0.070 0.000 0.773 402 S HN 0.320 nan 8.310 nan 0.000 0.507 403 Q N 1.501 121.289 119.800 -0.021 0.000 2.325 403 Q HA 0.449 4.772 4.340 -0.028 0.000 0.256 403 Q C 1.237 177.114 176.000 -0.206 0.000 1.142 403 Q CA 0.442 56.182 55.803 -0.105 0.000 0.902 403 Q CB 0.428 29.123 28.738 -0.072 0.000 1.350 403 Q HN 0.508 nan 8.270 nan 0.000 0.449 404 A N 2.938 125.448 122.820 -0.518 0.000 1.978 404 A HA -0.241 4.063 4.320 -0.028 0.000 0.220 404 A C 2.101 179.471 177.584 -0.358 0.000 1.170 404 A CA 2.014 53.539 52.037 -0.853 0.000 0.636 404 A CB -0.272 17.944 19.000 -1.307 0.000 0.810 404 A HN 0.714 nan 8.150 nan 0.000 0.448 405 S N -0.402 115.150 115.700 -0.246 0.000 2.382 405 S HA -0.113 4.340 4.470 -0.028 0.000 0.228 405 S C 1.665 176.192 174.600 -0.120 0.000 1.027 405 S CA 1.482 59.591 58.200 -0.151 0.000 0.991 405 S CB -0.763 62.362 63.200 -0.125 0.000 0.823 405 S HN 0.291 nan 8.310 nan 0.000 0.469 406 V N 2.237 122.080 119.914 -0.119 0.000 2.535 406 V HA -0.037 4.067 4.120 -0.028 0.000 0.246 406 V C 2.383 178.430 176.094 -0.079 0.000 1.045 406 V CA 1.651 63.870 62.300 -0.136 0.000 1.058 406 V CB -0.900 30.863 31.823 -0.099 0.000 0.689 406 V HN 0.426 nan 8.190 nan 0.000 0.461 407 D N 0.251 120.666 120.400 0.025 0.000 2.265 407 D HA -0.218 4.405 4.640 -0.028 0.000 0.208 407 D C 2.179 178.561 176.300 0.137 0.000 0.977 407 D CA 0.885 54.977 54.000 0.155 0.000 0.871 407 D CB -0.037 40.917 40.800 0.258 0.000 0.925 407 D HN 0.171 nan 8.370 nan 0.000 0.485 408 R N -1.064 119.460 120.500 0.040 0.000 2.103 408 R HA -0.201 4.123 4.340 -0.028 0.000 0.242 408 R C 1.944 178.276 176.300 0.053 0.000 1.142 408 R CA 1.466 57.590 56.100 0.041 0.000 0.960 408 R CB -0.779 29.520 30.300 -0.002 0.000 0.858 408 R HN 0.362 nan 8.270 nan 0.000 0.439 409 Y N -1.238 118.983 120.300 -0.131 0.000 2.206 409 Y HA -0.123 4.410 4.550 -0.028 0.000 0.292 409 Y C 1.385 177.211 175.900 -0.123 0.000 1.123 409 Y CA 1.460 59.442 58.100 -0.198 0.000 1.142 409 Y CB -0.148 38.067 38.460 -0.408 0.000 1.006 409 Y HN 0.067 nan 8.280 nan 0.000 0.518 410 Y N -0.776 119.638 120.300 0.191 0.000 2.395 410 Y HA -0.032 4.501 4.550 -0.027 0.000 0.293 410 Y C 1.018 176.973 175.900 0.092 0.000 1.123 410 Y CA 0.792 58.959 58.100 0.113 0.000 1.227 410 Y CB -1.328 37.129 38.460 -0.004 0.000 1.012 410 Y HN 0.120 nan 8.280 nan 0.000 0.552 411 H N 1.591 120.770 119.070 0.182 0.000 3.001 411 H HA -0.018 4.521 4.556 -0.028 0.000 0.334 411 H C 0.591 175.969 175.328 0.083 0.000 1.034 411 H CA 0.545 56.668 56.048 0.125 0.000 1.420 411 H CB -0.004 29.821 29.762 0.104 0.000 1.405 411 H HN 0.227 nan 8.280 nan 0.000 0.593 412 D N 2.431 122.410 120.400 -0.701 0.000 2.837 412 D HA -0.202 4.422 4.640 -0.028 0.000 0.230 412 D C -0.356 175.828 176.300 -0.194 0.000 1.152 412 D CA 1.415 55.148 54.000 -0.445 0.000 0.736 412 D CB -0.872 39.699 40.800 -0.382 0.000 1.084 412 D HN 0.759 nan 8.370 nan 0.000 0.429 413 T N -4.209 110.286 114.554 -0.099 0.000 2.910 413 T HA 0.434 4.768 4.350 -0.028 0.000 0.287 413 T C 0.989 175.664 174.700 -0.041 0.000 1.050 413 T CA -0.735 61.350 62.100 -0.024 0.000 1.011 413 T CB 0.977 69.912 68.868 0.111 0.000 1.195 413 T HN -0.079 nan 8.240 nan 0.000 0.540 414 Y N -0.619 119.640 120.300 -0.069 0.000 2.639 414 Y HA 0.072 4.605 4.550 -0.028 0.000 0.297 414 Y C 1.983 177.792 175.900 -0.151 0.000 1.151 414 Y CA 0.630 58.660 58.100 -0.117 0.000 1.335 414 Y CB -0.480 37.884 38.460 -0.159 0.000 0.994 414 Y HN 0.817 nan 8.280 nan 0.000 0.548 415 Y N -0.879 119.366 120.300 -0.092 0.000 2.242 415 Y HA -0.226 4.308 4.550 -0.027 0.000 0.291 415 Y C 2.167 177.890 175.900 -0.294 0.000 1.137 415 Y CA 1.350 59.288 58.100 -0.269 0.000 1.181 415 Y CB -0.277 37.923 38.460 -0.434 0.000 0.989 415 Y HN -0.097 nan 8.280 nan 0.000 0.527 416 V N -1.138 118.760 119.914 -0.026 0.000 2.307 416 V HA -0.302 3.802 4.120 -0.028 0.000 0.245 416 V C 2.281 178.178 176.094 -0.329 0.000 1.045 416 V CA 1.711 64.001 62.300 -0.017 0.000 1.024 416 V CB -0.868 31.021 31.823 0.110 0.000 0.651 416 V HN 0.300 nan 8.190 nan 0.000 0.449 417 V N 0.581 120.152 119.914 -0.571 0.000 2.332 417 V HA -0.308 3.795 4.120 -0.028 0.000 0.248 417 V C 2.728 178.297 176.094 -0.876 0.000 1.055 417 V CA 2.158 63.794 62.300 -1.107 0.000 1.038 417 V CB -1.331 30.072 31.823 -0.700 0.000 0.651 417 V HN 0.562 nan 8.190 nan 0.000 0.450 418 A N -0.089 122.367 122.820 -0.607 0.000 1.877 418 A HA -0.308 3.996 4.320 -0.028 0.000 0.216 418 A C 2.132 179.382 177.584 -0.557 0.000 1.186 418 A CA 2.378 54.018 52.037 -0.662 0.000 0.620 418 A CB -0.908 17.321 19.000 -1.286 0.000 0.822 418 A HN 0.787 nan 8.150 nan 0.000 0.443 419 H N 0.331 119.028 119.070 -0.622 0.000 2.251 419 H HA -0.240 4.299 4.556 -0.028 0.000 0.294 419 H C 1.673 176.828 175.328 -0.289 0.000 1.078 419 H CA 2.702 58.510 56.048 -0.400 0.000 1.246 419 H CB -0.830 28.756 29.762 -0.294 0.000 1.358 419 H HN 0.604 nan 8.280 nan 0.000 0.488 420 F N -1.019 118.542 119.950 -0.650 0.000 2.325 420 F HA 0.066 4.577 4.527 -0.027 0.000 0.299 420 F C 1.992 177.354 175.800 -0.730 0.000 1.090 420 F CA 1.186 58.709 58.000 -0.795 0.000 1.392 420 F CB -1.106 37.570 39.000 -0.540 0.000 1.053 420 F HN 0.219 nan 8.300 nan 0.000 0.521 421 H N -1.610 117.039 119.070 -0.702 0.000 2.428 421 H HA -0.019 4.520 4.556 -0.028 0.000 0.296 421 H C 1.633 176.481 175.328 -0.799 0.000 1.062 421 H CA 1.973 57.477 56.048 -0.907 0.000 1.350 421 H CB -0.437 28.198 29.762 -1.878 0.000 1.403 421 H HN 0.246 nan 8.280 nan 0.000 0.533 422 Y N 0.254 120.228 120.300 -0.544 0.000 2.145 422 Y HA -0.257 4.276 4.550 -0.029 0.000 0.286 422 Y C 2.639 178.307 175.900 -0.386 0.000 1.145 422 Y CA 1.588 59.435 58.100 -0.422 0.000 1.148 422 Y CB -0.443 37.793 38.460 -0.373 0.000 0.981 422 Y HN 0.144 nan 8.280 nan 0.000 0.507 423 V N -2.792 116.948 119.914 -0.289 0.000 2.548 423 V HA -0.233 3.870 4.120 -0.028 0.000 0.249 423 V C 1.786 177.810 176.094 -0.116 0.000 1.055 423 V CA 1.757 63.935 62.300 -0.203 0.000 1.065 423 V CB -0.560 31.081 31.823 -0.302 0.000 0.681 423 V HN 0.375 nan 8.190 nan 0.000 0.462 424 M N 0.355 119.817 119.600 -0.230 0.000 2.553 424 M HA 0.068 4.531 4.480 -0.028 0.000 0.255 424 M C 2.474 178.685 176.300 -0.148 0.000 1.181 424 M CA 1.629 56.807 55.300 -0.203 0.000 1.210 424 M CB -0.262 32.163 32.600 -0.292 0.000 1.280 424 M HN 0.379 nan 8.290 nan 0.000 0.495 425 S N 0.256 115.838 115.700 -0.197 0.000 2.496 425 S HA 0.149 4.602 4.470 -0.028 0.000 0.224 425 S C 1.404 175.999 174.600 -0.008 0.000 0.996 425 S CA 0.500 58.655 58.200 -0.076 0.000 0.927 425 S CB 0.162 63.327 63.200 -0.057 0.000 0.774 425 S HN 0.316 nan 8.310 nan 0.000 0.524 426 L N 0.206 121.293 121.223 -0.227 0.000 2.906 426 L HA 0.392 4.715 4.340 -0.028 0.000 0.255 426 L C 1.465 178.057 176.870 -0.462 0.000 1.166 426 L CA 0.505 55.047 54.840 -0.497 0.000 0.977 426 L CB -0.060 41.575 42.059 -0.706 0.000 1.313 426 L HN 0.399 nan 8.230 nan 0.000 0.549 427 G N -0.360 108.382 108.800 -0.096 0.000 2.446 427 G HA2 0.229 4.172 3.960 -0.028 0.000 0.202 427 G HA3 0.229 4.172 3.960 -0.028 0.000 0.202 427 G C 1.402 176.538 174.900 0.393 0.000 1.842 427 G CA 0.725 45.868 45.100 0.071 0.000 0.703 427 G HN 0.084 nan 8.290 nan 0.000 0.731 428 A N 0.165 123.120 122.820 0.226 0.000 1.903 428 A HA -0.050 4.253 4.320 -0.028 0.000 0.219 428 A C 2.542 180.173 177.584 0.079 0.000 1.191 428 A CA 2.528 54.642 52.037 0.129 0.000 0.638 428 A CB -0.990 17.997 19.000 -0.022 0.000 0.823 428 A HN 0.481 nan 8.150 nan 0.000 0.451 429 V N -1.434 118.507 119.914 0.045 0.000 2.407 429 V HA -0.221 3.882 4.120 -0.028 0.000 0.248 429 V C 2.294 178.352 176.094 -0.059 0.000 1.055 429 V CA 1.949 64.188 62.300 -0.102 0.000 1.049 429 V CB -0.925 30.848 31.823 -0.083 0.000 0.662 429 V HN 0.543 nan 8.190 nan 0.000 0.455 430 F N 1.425 121.406 119.950 0.052 0.000 2.216 430 F HA -0.037 4.472 4.527 -0.030 0.000 0.300 430 F C 2.324 178.170 175.800 0.077 0.000 1.085 430 F CA 1.191 59.339 58.000 0.247 0.000 1.326 430 F CB -1.314 38.015 39.000 0.549 0.000 1.027 430 F HN 0.199 nan 8.300 nan 0.000 0.497 431 G N 0.093 109.010 108.800 0.195 0.000 2.418 431 G HA2 -0.209 3.735 3.960 -0.028 0.000 0.217 431 G HA3 -0.209 3.735 3.960 -0.028 0.000 0.217 431 G C 1.879 176.724 174.900 -0.093 0.000 1.158 431 G CA 0.892 45.957 45.100 -0.058 0.000 0.771 431 G HN 0.346 nan 8.290 nan 0.000 0.545 432 I N -0.112 120.396 120.570 -0.104 0.000 2.179 432 I HA -0.146 4.007 4.170 -0.028 0.000 0.242 432 I C 2.463 178.509 176.117 -0.117 0.000 1.088 432 I CA 0.974 62.235 61.300 -0.066 0.000 1.357 432 I CB -0.271 37.587 38.000 -0.236 0.000 1.051 432 I HN 0.044 nan 8.210 nan 0.000 0.409 433 F N 1.010 120.740 119.950 -0.366 0.000 2.186 433 F HA -0.148 4.362 4.527 -0.027 0.000 0.299 433 F C 2.622 178.132 175.800 -0.483 0.000 1.090 433 F CA 0.944 58.529 58.000 -0.691 0.000 1.307 433 F CB -1.352 36.545 39.000 -1.837 0.000 1.019 433 F HN 0.009 nan 8.300 nan 0.000 0.489 434 A N 0.447 123.136 122.820 -0.218 0.000 1.892 434 A HA -0.139 4.164 4.320 -0.028 0.000 0.218 434 A C 2.642 180.161 177.584 -0.109 0.000 1.188 434 A CA 2.096 54.089 52.037 -0.074 0.000 0.631 434 A CB -1.586 17.341 19.000 -0.122 0.000 0.822 434 A HN 0.402 nan 8.150 nan 0.000 0.447 435 G N -0.375 108.280 108.800 -0.242 0.000 2.418 435 G HA2 -0.159 3.785 3.960 -0.028 0.000 0.217 435 G HA3 -0.159 3.785 3.960 -0.028 0.000 0.217 435 G C 1.548 176.443 174.900 -0.007 0.000 1.158 435 G CA 1.057 45.877 45.100 -0.467 0.000 0.771 435 G HN 0.476 nan 8.290 nan 0.000 0.545 436 I N -0.712 120.025 120.570 0.279 0.000 2.179 436 I HA -0.184 3.969 4.170 -0.028 0.000 0.242 436 I C 2.465 178.721 176.117 0.232 0.000 1.088 436 I CA 1.112 62.647 61.300 0.392 0.000 1.357 436 I CB -0.206 37.964 38.000 0.283 0.000 1.051 436 I HN 0.138 nan 8.210 nan 0.000 0.409 437 Y N -0.729 119.692 120.300 0.201 0.000 2.242 437 Y HA -0.249 4.287 4.550 -0.024 0.000 0.291 437 Y C 2.271 178.484 175.900 0.523 0.000 1.137 437 Y CA 1.426 59.604 58.100 0.129 0.000 1.181 437 Y CB -0.536 37.863 38.460 -0.103 0.000 0.989 437 Y HN 0.080 nan 8.280 nan 0.000 0.527 438 F N -1.194 118.972 119.950 0.359 0.000 2.171 438 F HA -0.250 4.261 4.527 -0.028 0.000 0.300 438 F C 1.354 177.564 175.800 0.684 0.000 1.090 438 F CA 1.545 59.748 58.000 0.339 0.000 1.293 438 F CB -0.238 38.535 39.000 -0.379 0.000 1.013 438 F HN 0.075 nan 8.300 nan 0.000 0.486 439 W N -0.947 120.642 121.300 0.483 0.000 2.870 439 W HA 0.250 4.896 4.660 -0.025 0.000 0.358 439 W C 1.943 178.665 176.519 0.338 0.000 1.043 439 W CA -0.413 57.117 57.345 0.308 0.000 1.692 439 W CB -0.633 28.852 29.460 0.041 0.000 1.100 439 W HN 0.009 nan 8.180 nan 0.000 0.557 440 I N 0.555 121.436 120.570 0.520 0.000 2.226 440 I HA -0.178 3.976 4.170 -0.028 0.000 0.245 440 I C 2.368 178.614 176.117 0.214 0.000 1.100 440 I CA 2.185 63.661 61.300 0.295 0.000 1.374 440 I CB -0.578 37.534 38.000 0.187 0.000 1.057 440 I HN -0.071 nan 8.210 nan 0.000 0.413 441 G N 0.705 109.618 108.800 0.189 0.000 2.469 441 G HA2 -0.390 3.553 3.960 -0.028 0.000 0.219 441 G HA3 -0.390 3.553 3.960 -0.028 0.000 0.219 441 G C 1.647 176.622 174.900 0.125 0.000 1.150 441 G CA 1.334 46.342 45.100 -0.153 0.000 0.763 441 G HN 0.303 nan 8.290 nan 0.000 0.561 442 K N 0.307 120.989 120.400 0.470 0.000 2.057 442 K HA 0.125 4.428 4.320 -0.028 0.000 0.206 442 K C 2.512 179.222 176.600 0.182 0.000 1.050 442 K CA 1.202 57.716 56.287 0.378 0.000 0.935 442 K CB -0.390 32.292 32.500 0.304 0.000 0.715 442 K HN 0.370 nan 8.250 nan 0.000 0.439 443 M N -0.131 119.538 119.600 0.115 0.000 2.288 443 M HA -0.046 4.418 4.480 -0.028 0.000 0.266 443 M C 1.941 178.278 176.300 0.061 0.000 1.072 443 M CA 1.657 56.937 55.300 -0.033 0.000 1.132 443 M CB -0.026 32.419 32.600 -0.258 0.000 1.386 443 M HN 0.298 nan 8.290 nan 0.000 0.432 444 S N -1.406 114.331 115.700 0.062 0.000 2.514 444 S HA 0.326 4.779 4.470 -0.028 0.000 0.223 444 S C 1.589 176.205 174.600 0.027 0.000 1.046 444 S CA 0.495 58.725 58.200 0.050 0.000 0.914 444 S CB 0.552 63.769 63.200 0.028 0.000 0.807 444 S HN 0.583 nan 8.310 nan 0.000 0.497 445 G N 1.373 110.182 108.800 0.014 0.000 2.176 445 G HA2 -0.214 3.729 3.960 -0.028 0.000 0.253 445 G HA3 -0.214 3.729 3.960 -0.028 0.000 0.253 445 G C 0.043 174.900 174.900 -0.072 0.000 0.979 445 G CA 0.050 45.139 45.100 -0.017 0.000 0.641 445 G HN 0.623 nan 8.290 nan 0.000 0.530 446 R N -0.407 120.042 120.500 -0.086 0.000 2.686 446 R HA 0.616 4.939 4.340 -0.028 0.000 0.286 446 R C -0.611 175.604 176.300 -0.142 0.000 0.969 446 R CA -0.913 55.116 56.100 -0.119 0.000 0.898 446 R CB 1.638 31.874 30.300 -0.107 0.000 1.183 446 R HN 0.182 nan 8.270 nan 0.000 0.456 447 Q N 1.805 121.494 119.800 -0.185 0.000 2.235 447 Q HA 0.218 4.541 4.340 -0.028 0.000 0.256 447 Q C -1.287 174.664 176.000 -0.081 0.000 0.951 447 Q CA -0.657 55.011 55.803 -0.224 0.000 0.890 447 Q CB 0.882 29.383 28.738 -0.396 0.000 1.279 447 Q HN 0.485 nan 8.270 nan 0.000 0.444 448 Y N 1.446 121.770 120.300 0.040 0.000 2.326 448 Y HA 0.643 5.176 4.550 -0.029 0.000 0.333 448 Y C -2.180 173.789 175.900 0.116 0.000 1.240 448 Y CA -2.747 55.417 58.100 0.107 0.000 1.365 448 Y CB -0.160 38.419 38.460 0.198 0.000 1.289 448 Y HN 0.478 nan 8.280 nan 0.000 0.548 449 P HA 0.061 nan 4.420 nan 0.000 0.276 449 P C -0.019 177.312 177.300 0.052 0.000 1.253 449 P CA -0.050 63.069 63.100 0.032 0.000 0.766 449 P CB 1.712 33.366 31.700 -0.076 0.000 0.845 450 E N 4.962 125.206 120.200 0.074 0.000 2.097 450 E HA -0.189 4.144 4.350 -0.028 0.000 0.196 450 E C 1.584 178.309 176.600 0.207 0.000 1.000 450 E CA 1.709 58.238 56.400 0.215 0.000 0.804 450 E CB -0.653 29.149 29.700 0.171 0.000 0.740 450 E HN 0.637 nan 8.360 nan 0.000 0.454 451 W N -0.042 121.374 121.300 0.194 0.000 2.350 451 W HA -0.071 4.570 4.660 -0.031 0.000 0.289 451 W C 1.684 178.353 176.519 0.251 0.000 1.215 451 W CA 1.178 58.630 57.345 0.178 0.000 1.236 451 W CB -0.891 28.646 29.460 0.127 0.000 1.130 451 W HN 0.173 nan 8.180 nan 0.000 0.541 452 A N 1.960 124.258 122.820 -0.871 0.000 1.935 452 A HA 0.159 4.463 4.320 -0.028 0.000 0.214 452 A C 2.395 180.001 177.584 0.035 0.000 1.178 452 A CA 1.684 53.259 52.037 -0.769 0.000 0.640 452 A CB -1.466 16.771 19.000 -1.271 0.000 0.825 452 A HN 0.341 nan 8.150 nan 0.000 0.447 453 G N 0.215 109.059 108.800 0.073 0.000 2.469 453 G HA2 -0.270 3.674 3.960 -0.028 0.000 0.219 453 G HA3 -0.270 3.674 3.960 -0.028 0.000 0.219 453 G C 1.675 176.525 174.900 -0.083 0.000 1.150 453 G CA 1.235 46.315 45.100 -0.032 0.000 0.763 453 G HN 0.568 nan 8.290 nan 0.000 0.561 454 K N -0.600 119.816 120.400 0.027 0.000 2.062 454 K HA 0.079 4.382 4.320 -0.028 0.000 0.205 454 K C 2.370 179.113 176.600 0.238 0.000 1.051 454 K CA 0.721 57.045 56.287 0.062 0.000 0.941 454 K CB -0.276 32.333 32.500 0.180 0.000 0.719 454 K HN 0.250 nan 8.250 nan 0.000 0.440 455 L N 1.267 122.671 121.223 0.301 0.000 2.017 455 L HA -0.221 4.102 4.340 -0.028 0.000 0.208 455 L C 2.370 179.380 176.870 0.233 0.000 1.073 455 L CA 1.862 56.865 54.840 0.271 0.000 0.745 455 L CB -0.744 41.434 42.059 0.199 0.000 0.894 455 L HN 0.306 nan 8.230 nan 0.000 0.432 456 H N -1.586 117.650 119.070 0.276 0.000 2.289 456 H HA -0.327 4.213 4.556 -0.027 0.000 0.294 456 H C 2.205 177.567 175.328 0.058 0.000 1.095 456 H CA 2.303 58.537 56.048 0.310 0.000 1.256 456 H CB -0.360 29.681 29.762 0.466 0.000 1.359 456 H HN 0.448 nan 8.280 nan 0.000 0.487 457 F N 0.462 120.107 119.950 -0.508 0.000 2.065 457 F HA -0.270 4.239 4.527 -0.030 0.000 0.298 457 F C 1.987 177.334 175.800 -0.755 0.000 1.112 457 F CA 2.111 59.338 58.000 -1.289 0.000 1.212 457 F CB -0.837 37.115 39.000 -1.747 0.000 0.975 457 F HN 0.219 nan 8.300 nan 0.000 0.476 458 W N -0.005 121.090 121.300 -0.342 0.000 2.418 458 W HA -0.106 4.539 4.660 -0.025 0.000 0.292 458 W C 2.516 178.954 176.519 -0.136 0.000 1.213 458 W CA 0.944 58.136 57.345 -0.255 0.000 1.283 458 W CB -0.398 29.035 29.460 -0.045 0.000 1.119 458 W HN 0.015 nan 8.180 nan 0.000 0.542 459 M N -0.851 118.822 119.600 0.122 0.000 2.117 459 M HA -0.229 4.234 4.480 -0.028 0.000 0.262 459 M C 2.257 178.620 176.300 0.104 0.000 1.065 459 M CA 1.604 56.975 55.300 0.119 0.000 1.114 459 M CB -0.567 32.101 32.600 0.114 0.000 1.361 459 M HN 0.021 nan 8.290 nan 0.000 0.408 460 M N -0.047 119.578 119.600 0.042 0.000 2.132 460 M HA -0.138 4.325 4.480 -0.028 0.000 0.263 460 M C 1.854 178.213 176.300 0.099 0.000 1.065 460 M CA 1.747 57.105 55.300 0.098 0.000 1.122 460 M CB -0.537 32.122 32.600 0.097 0.000 1.365 460 M HN 0.195 nan 8.290 nan 0.000 0.411 461 F N -0.297 119.490 119.950 -0.272 0.000 2.069 461 F HA -0.208 4.306 4.527 -0.023 0.000 0.298 461 F C 1.893 177.710 175.800 0.028 0.000 1.113 461 F CA 2.124 60.026 58.000 -0.164 0.000 1.214 461 F CB -0.499 38.136 39.000 -0.609 0.000 0.978 461 F HN -0.021 nan 8.300 nan 0.000 0.474 462 V N 0.301 120.333 119.914 0.195 0.000 2.295 462 V HA -0.245 3.858 4.120 -0.028 0.000 0.246 462 V C 2.692 178.797 176.094 0.017 0.000 1.049 462 V CA 1.975 64.347 62.300 0.120 0.000 1.024 462 V CB -1.658 30.276 31.823 0.186 0.000 0.648 462 V HN 0.571 nan 8.190 nan 0.000 0.447 463 G N -0.529 108.296 108.800 0.041 0.000 2.404 463 G HA2 -0.161 3.783 3.960 -0.028 0.000 0.215 463 G HA3 -0.161 3.783 3.960 -0.028 0.000 0.215 463 G C 1.745 176.610 174.900 -0.058 0.000 1.174 463 G CA 0.981 46.088 45.100 0.012 0.000 0.780 463 G HN 0.605 nan 8.290 nan 0.000 0.537 464 A N 0.890 123.701 122.820 -0.016 0.000 1.930 464 A HA -0.022 4.282 4.320 -0.028 0.000 0.217 464 A C 2.252 179.758 177.584 -0.130 0.000 1.175 464 A CA 1.560 53.579 52.037 -0.030 0.000 0.627 464 A CB -0.375 18.710 19.000 0.143 0.000 0.815 464 A HN 0.346 nan 8.150 nan 0.000 0.443 465 N N 0.127 118.725 118.700 -0.170 0.000 2.142 465 N HA -0.076 4.648 4.740 -0.028 0.000 0.186 465 N C 1.715 177.211 175.510 -0.024 0.000 1.023 465 N CA 1.255 54.240 53.050 -0.109 0.000 0.852 465 N CB -0.329 38.039 38.487 -0.199 0.000 0.998 465 N HN 0.470 nan 8.380 nan 0.000 0.424 466 L N 0.910 122.093 121.223 -0.066 0.000 2.131 466 L HA -0.151 4.173 4.340 -0.028 0.000 0.210 466 L C 2.219 178.996 176.870 -0.155 0.000 1.092 466 L CA 1.027 55.837 54.840 -0.050 0.000 0.759 466 L CB -0.581 41.455 42.059 -0.040 0.000 0.903 466 L HN 0.180 nan 8.230 nan 0.000 0.435 467 T N -0.626 113.727 114.554 -0.336 0.000 2.701 467 T HA -0.124 4.209 4.350 -0.028 0.000 0.263 467 T C 1.419 175.717 174.700 -0.671 0.000 1.040 467 T CA 1.520 63.221 62.100 -0.665 0.000 1.147 467 T CB -0.222 67.953 68.868 -1.154 0.000 0.865 467 T HN 0.132 nan 8.240 nan 0.000 0.426 468 F N -0.590 119.246 119.950 -0.189 0.000 2.505 468 F HA 0.382 4.891 4.527 -0.029 0.000 0.289 468 F C 1.779 177.519 175.800 -0.101 0.000 1.101 468 F CA -1.113 56.758 58.000 -0.214 0.000 1.446 468 F CB -0.703 38.087 39.000 -0.351 0.000 1.123 468 F HN 0.024 nan 8.300 nan 0.000 0.564 469 F N 2.383 122.394 119.950 0.102 0.000 2.126 469 F HA -0.116 4.397 4.527 -0.024 0.000 0.299 469 F C -0.778 174.774 175.800 -0.413 0.000 1.096 469 F CA 1.577 59.577 58.000 0.001 0.000 1.255 469 F CB -1.496 37.469 39.000 -0.058 0.000 0.997 469 F HN -0.116 nan 8.300 nan 0.000 0.479 470 P HA -0.159 nan 4.420 nan 0.000 0.225 470 P C 1.077 178.101 177.300 -0.460 0.000 1.148 470 P CA 1.420 64.152 63.100 -0.612 0.000 0.779 470 P CB -0.168 31.502 31.700 -0.049 0.000 0.780 471 Q N -1.549 118.038 119.800 -0.356 0.000 2.226 471 Q HA -0.202 4.122 4.340 -0.028 0.000 0.204 471 Q C 1.751 177.564 176.000 -0.311 0.000 0.975 471 Q CA 1.244 56.895 55.803 -0.252 0.000 0.866 471 Q CB -0.670 28.004 28.738 -0.106 0.000 0.915 471 Q HN 0.526 nan 8.270 nan 0.000 0.440 472 H N -0.697 118.052 119.070 -0.535 0.000 2.353 472 H HA -0.145 4.395 4.556 -0.028 0.000 0.300 472 H C 1.527 176.793 175.328 -0.103 0.000 1.090 472 H CA 1.566 57.321 56.048 -0.489 0.000 1.327 472 H CB -0.020 29.195 29.762 -0.912 0.000 1.383 472 H HN 0.192 nan 8.280 nan 0.000 0.508 473 F N 0.420 120.311 119.950 -0.097 0.000 2.102 473 F HA -0.131 4.378 4.527 -0.029 0.000 0.298 473 F C 2.270 178.135 175.800 0.108 0.000 1.105 473 F CA 0.859 58.814 58.000 -0.075 0.000 1.239 473 F CB -1.110 37.630 39.000 -0.434 0.000 0.991 473 F HN 0.087 nan 8.300 nan 0.000 0.474 474 L N -0.294 121.085 121.223 0.261 0.000 2.042 474 L HA -0.165 4.158 4.340 -0.028 0.000 0.210 474 L C 2.757 179.762 176.870 0.225 0.000 1.076 474 L CA 1.519 56.489 54.840 0.217 0.000 0.749 474 L CB -1.469 40.542 42.059 -0.081 0.000 0.893 474 L HN 0.280 nan 8.230 nan 0.000 0.432 475 G N -0.296 108.653 108.800 0.247 0.000 2.402 475 G HA2 -0.225 3.718 3.960 -0.028 0.000 0.216 475 G HA3 -0.225 3.718 3.960 -0.028 0.000 0.216 475 G C 1.726 176.928 174.900 0.504 0.000 1.162 475 G CA 0.426 45.734 45.100 0.345 0.000 0.777 475 G HN 0.269 nan 8.290 nan 0.000 0.539 476 R N -0.237 120.573 120.500 0.516 0.000 2.105 476 R HA -0.022 4.302 4.340 -0.028 0.000 0.239 476 R C 2.559 179.134 176.300 0.458 0.000 1.135 476 R CA 1.163 57.553 56.100 0.482 0.000 0.967 476 R CB -0.146 30.359 30.300 0.342 0.000 0.861 476 R HN 0.264 nan 8.270 nan 0.000 0.442 477 Q N -0.561 119.501 119.800 0.437 0.000 2.472 477 Q HA 0.022 4.346 4.340 -0.028 0.000 0.208 477 Q C 0.788 177.100 176.000 0.520 0.000 0.958 477 Q CA 1.040 57.108 55.803 0.442 0.000 0.932 477 Q CB 0.952 29.968 28.738 0.464 0.000 1.007 477 Q HN 0.624 nan 8.270 nan 0.000 0.508 478 G N 1.381 110.445 108.800 0.440 0.000 2.130 478 G HA2 -0.260 3.684 3.960 -0.028 0.000 0.216 478 G HA3 -0.260 3.684 3.960 -0.028 0.000 0.216 478 G C 0.036 174.998 174.900 0.104 0.000 0.999 478 G CA 0.269 45.502 45.100 0.220 0.000 0.686 478 G HN 0.333 nan 8.290 nan 0.000 0.515 479 M N 1.481 121.009 119.600 -0.121 0.000 2.227 479 M HA 0.375 4.838 4.480 -0.028 0.000 0.349 479 M C -2.052 174.080 176.300 -0.279 0.000 1.443 479 M CA -1.405 53.501 55.300 -0.658 0.000 1.110 479 M CB 0.683 32.563 32.600 -1.199 0.000 1.773 479 M HN 0.024 nan 8.290 nan 0.000 0.463 480 P HA 0.246 nan 4.420 nan 0.000 0.276 480 P C -1.156 175.961 177.300 -0.306 0.000 1.244 480 P CA -0.302 62.526 63.100 -0.453 0.000 0.801 480 P CB 0.571 31.773 31.700 -0.830 0.000 1.006 481 R N 1.349 121.723 120.500 -0.210 0.000 2.641 481 R HA 0.277 4.601 4.340 -0.028 0.000 0.269 481 R C 0.451 176.815 176.300 0.107 0.000 1.074 481 R CA -0.123 55.905 56.100 -0.120 0.000 1.133 481 R CB 0.014 30.239 30.300 -0.125 0.000 1.029 481 R HN 0.440 nan 8.270 nan 0.000 0.488 482 R N -0.072 120.614 120.500 0.310 0.000 3.774 482 R HA -0.182 4.141 4.340 -0.028 0.000 0.320 482 R C -1.276 175.375 176.300 0.584 0.000 1.175 482 R CA 0.592 56.995 56.100 0.505 0.000 0.849 482 R CB -1.636 28.864 30.300 0.334 0.000 1.365 482 R HN 0.410 nan 8.270 nan 0.000 0.502 483 Y N -0.074 120.291 120.300 0.108 0.000 2.331 483 Y HA 0.273 4.807 4.550 -0.027 0.000 0.338 483 Y C 1.499 176.904 175.900 -0.826 0.000 0.976 483 Y CA -1.587 56.398 58.100 -0.192 0.000 1.137 483 Y CB 0.950 39.367 38.460 -0.073 0.000 1.172 483 Y HN 0.087 nan 8.280 nan 0.000 0.478 484 I N 1.091 121.119 120.570 -0.902 0.000 2.361 484 I HA -0.172 3.981 4.170 -0.028 0.000 0.251 484 I C 0.030 175.784 176.117 -0.606 0.000 1.133 484 I CA 1.667 62.310 61.300 -1.096 0.000 1.413 484 I CB 0.288 38.044 38.000 -0.407 0.000 1.073 484 I HN 0.568 nan 8.210 nan 0.000 0.424 485 D N -1.698 118.505 120.400 -0.328 0.000 2.570 485 D HA 0.375 4.999 4.640 -0.028 0.000 0.244 485 D C -1.583 174.720 176.300 0.005 0.000 1.178 485 D CA -0.366 53.492 54.000 -0.236 0.000 0.881 485 D CB 1.548 42.203 40.800 -0.242 0.000 1.453 485 D HN 0.099 nan 8.370 nan 0.000 0.447 486 Y N -1.904 118.416 120.300 0.034 0.000 2.571 486 Y HA 0.702 5.236 4.550 -0.027 0.000 0.341 486 Y C -2.772 173.265 175.900 0.229 0.000 1.076 486 Y CA -2.465 55.735 58.100 0.167 0.000 1.029 486 Y CB 0.273 38.788 38.460 0.091 0.000 1.308 486 Y HN 0.081 nan 8.280 nan 0.000 0.461 487 P HA -0.019 nan 4.420 nan 0.000 0.264 487 P C 0.590 178.084 177.300 0.323 0.000 1.179 487 P CA 0.397 63.690 63.100 0.321 0.000 0.763 487 P CB 0.955 32.817 31.700 0.269 0.000 0.806 488 E N 3.747 124.018 120.200 0.119 0.000 2.130 488 E HA -0.255 4.078 4.350 -0.028 0.000 0.196 488 E C 1.757 178.402 176.600 0.075 0.000 0.998 488 E CA 1.967 58.420 56.400 0.089 0.000 0.806 488 E CB -0.753 28.952 29.700 0.009 0.000 0.738 488 E HN 0.470 nan 8.360 nan 0.000 0.459 489 A N -0.548 122.234 122.820 -0.063 0.000 2.131 489 A HA -0.109 4.194 4.320 -0.028 0.000 0.220 489 A C 1.488 178.969 177.584 -0.172 0.000 1.158 489 A CA 1.079 53.009 52.037 -0.178 0.000 0.665 489 A CB -0.742 18.073 19.000 -0.308 0.000 0.795 489 A HN 0.365 nan 8.150 nan 0.000 0.460 490 F N -0.586 119.441 119.950 0.128 0.000 2.797 490 F HA 0.271 4.781 4.527 -0.028 0.000 0.302 490 F C 2.304 178.088 175.800 -0.027 0.000 1.130 490 F CA -0.110 57.900 58.000 0.017 0.000 1.387 490 F CB -0.454 38.457 39.000 -0.149 0.000 1.107 490 F HN 0.246 nan 8.300 nan 0.000 0.577 491 A N 0.013 122.996 122.820 0.272 0.000 1.883 491 A HA -0.195 4.108 4.320 -0.028 0.000 0.217 491 A C 2.355 179.994 177.584 0.093 0.000 1.186 491 A CA 2.457 54.648 52.037 0.258 0.000 0.624 491 A CB -1.190 17.906 19.000 0.161 0.000 0.822 491 A HN 0.307 nan 8.150 nan 0.000 0.444 492 T N -1.235 113.275 114.554 -0.072 0.000 2.652 492 T HA -0.226 4.108 4.350 -0.028 0.000 0.267 492 T C 1.530 176.115 174.700 -0.193 0.000 1.039 492 T CA 1.725 63.663 62.100 -0.270 0.000 1.153 492 T CB -0.410 68.098 68.868 -0.601 0.000 0.863 492 T HN 0.753 nan 8.240 nan 0.000 0.428 493 W N 1.536 122.912 121.300 0.127 0.000 2.584 493 W HA 0.133 4.776 4.660 -0.028 0.000 0.264 493 W C 2.437 178.955 176.519 -0.002 0.000 1.264 493 W CA -0.530 56.886 57.345 0.118 0.000 1.306 493 W CB -0.250 29.330 29.460 0.199 0.000 1.110 493 W HN 0.187 nan 8.180 nan 0.000 0.606 494 N N 0.300 119.064 118.700 0.107 0.000 2.188 494 N HA -0.170 4.553 4.740 -0.028 0.000 0.184 494 N C 1.509 177.045 175.510 0.044 0.000 1.018 494 N CA 1.286 54.301 53.050 -0.058 0.000 0.858 494 N CB -0.655 37.669 38.487 -0.272 0.000 0.989 494 N HN 0.149 nan 8.380 nan 0.000 0.426 495 F N 2.000 121.947 119.950 -0.005 0.000 2.113 495 F HA -0.139 4.371 4.527 -0.028 0.000 0.297 495 F C 2.237 178.025 175.800 -0.020 0.000 1.103 495 F CA 0.937 58.937 58.000 -0.000 0.000 1.248 495 F CB -0.395 38.608 39.000 0.005 0.000 0.999 495 F HN -0.257 nan 8.300 nan 0.000 0.475 496 V N -0.470 119.525 119.914 0.136 0.000 2.255 496 V HA -0.337 3.766 4.120 -0.028 0.000 0.247 496 V C 2.653 178.699 176.094 -0.080 0.000 1.051 496 V CA 2.112 64.465 62.300 0.089 0.000 1.018 496 V CB -1.294 30.755 31.823 0.377 0.000 0.641 496 V HN 0.522 nan 8.190 nan 0.000 0.445 497 S N -0.386 115.272 115.700 -0.070 0.000 2.365 497 S HA -0.261 4.193 4.470 -0.028 0.000 0.225 497 S C 2.219 176.564 174.600 -0.424 0.000 1.039 497 S CA 2.324 60.379 58.200 -0.241 0.000 1.033 497 S CB -0.375 62.687 63.200 -0.230 0.000 0.887 497 S HN 0.626 nan 8.310 nan 0.000 0.447 498 S N 1.264 116.679 115.700 -0.475 0.000 2.368 498 S HA 0.057 4.511 4.470 -0.028 0.000 0.225 498 S C 1.794 175.678 174.600 -1.194 0.000 1.030 498 S CA 1.299 59.006 58.200 -0.822 0.000 0.999 498 S CB -0.475 62.346 63.200 -0.631 0.000 0.844 498 S HN 0.479 nan 8.310 nan 0.000 0.459 499 L N 0.910 121.694 121.223 -0.733 0.000 2.042 499 L HA -0.111 4.212 4.340 -0.028 0.000 0.210 499 L C 2.749 179.442 176.870 -0.295 0.000 1.076 499 L CA 1.285 55.869 54.840 -0.428 0.000 0.749 499 L CB -1.178 40.705 42.059 -0.294 0.000 0.893 499 L HN 0.425 nan 8.230 nan 0.000 0.432 500 G N -0.413 108.202 108.800 -0.307 0.000 2.418 500 G HA2 -0.253 3.691 3.960 -0.028 0.000 0.217 500 G HA3 -0.253 3.691 3.960 -0.028 0.000 0.217 500 G C 1.769 176.513 174.900 -0.260 0.000 1.158 500 G CA 0.805 45.765 45.100 -0.234 0.000 0.771 500 G HN 0.475 nan 8.290 nan 0.000 0.545 501 A N 0.377 122.934 122.820 -0.438 0.000 1.933 501 A HA 0.134 4.438 4.320 -0.028 0.000 0.218 501 A C 2.125 179.672 177.584 -0.061 0.000 1.175 501 A CA 1.451 53.279 52.037 -0.349 0.000 0.628 501 A CB -0.453 18.248 19.000 -0.498 0.000 0.814 501 A HN 0.271 nan 8.150 nan 0.000 0.444 502 F N -0.760 119.178 119.950 -0.020 0.000 2.163 502 F HA -0.013 4.498 4.527 -0.028 0.000 0.297 502 F C 1.988 177.869 175.800 0.136 0.000 1.094 502 F CA 0.628 58.672 58.000 0.072 0.000 1.290 502 F CB -1.149 37.859 39.000 0.014 0.000 1.017 502 F HN 0.243 nan 8.300 nan 0.000 0.483 503 L N -0.093 121.267 121.223 0.230 0.000 2.017 503 L HA -0.162 4.161 4.340 -0.028 0.000 0.208 503 L C 2.365 179.352 176.870 0.195 0.000 1.073 503 L CA 1.745 56.690 54.840 0.174 0.000 0.745 503 L CB -1.180 40.940 42.059 0.102 0.000 0.894 503 L HN -0.002 nan 8.230 nan 0.000 0.432 504 S N -0.566 115.238 115.700 0.173 0.000 2.374 504 S HA -0.229 4.224 4.470 -0.028 0.000 0.227 504 S C 1.810 176.621 174.600 0.352 0.000 1.037 504 S CA 1.727 60.062 58.200 0.225 0.000 1.024 504 S CB -0.729 62.559 63.200 0.148 0.000 0.861 504 S HN 0.551 nan 8.310 nan 0.000 0.456 505 F N 2.477 122.550 119.950 0.204 0.000 2.186 505 F HA -0.002 4.508 4.527 -0.028 0.000 0.299 505 F C 2.312 178.295 175.800 0.304 0.000 1.090 505 F CA 0.613 58.769 58.000 0.260 0.000 1.307 505 F CB -0.916 38.222 39.000 0.230 0.000 1.019 505 F HN 0.164 nan 8.300 nan 0.000 0.489 506 A N -0.191 122.740 122.820 0.185 0.000 1.902 506 A HA -0.224 4.079 4.320 -0.028 0.000 0.217 506 A C 2.433 180.105 177.584 0.146 0.000 1.181 506 A CA 2.314 54.401 52.037 0.083 0.000 0.623 506 A CB -1.504 17.574 19.000 0.130 0.000 0.818 506 A HN 0.506 nan 8.150 nan 0.000 0.443 507 S N -1.434 114.409 115.700 0.238 0.000 2.400 507 S HA -0.184 4.270 4.470 -0.028 0.000 0.232 507 S C 1.818 176.646 174.600 0.380 0.000 1.025 507 S CA 1.594 60.003 58.200 0.347 0.000 0.993 507 S CB -0.623 62.809 63.200 0.387 0.000 0.808 507 S HN 0.496 nan 8.310 nan 0.000 0.478 508 F N 1.969 122.027 119.950 0.180 0.000 2.206 508 F HA 0.272 4.782 4.527 -0.028 0.000 0.298 508 F C 1.933 177.795 175.800 0.104 0.000 1.090 508 F CA 0.784 58.890 58.000 0.177 0.000 1.323 508 F CB -0.316 38.827 39.000 0.238 0.000 1.028 508 F HN 0.160 nan 8.300 nan 0.000 0.492 509 L N -1.256 119.945 121.223 -0.036 0.000 2.056 509 L HA -0.213 4.110 4.340 -0.028 0.000 0.207 509 L C 2.408 179.231 176.870 -0.078 0.000 1.078 509 L CA 1.320 56.067 54.840 -0.155 0.000 0.749 509 L CB -0.930 40.989 42.059 -0.233 0.000 0.901 509 L HN 0.173 nan 8.230 nan 0.000 0.433 510 F N 0.771 120.657 119.950 -0.105 0.000 2.069 510 F HA -0.337 4.173 4.527 -0.027 0.000 0.298 510 F C 2.433 178.134 175.800 -0.165 0.000 1.113 510 F CA 1.616 59.569 58.000 -0.080 0.000 1.214 510 F CB -0.588 38.415 39.000 0.005 0.000 0.978 510 F HN 0.025 nan 8.300 nan 0.000 0.474 511 F N 0.982 120.653 119.950 -0.467 0.000 2.087 511 F HA -0.282 4.228 4.527 -0.028 0.000 0.299 511 F C 1.902 177.374 175.800 -0.546 0.000 1.100 511 F CA 2.144 59.697 58.000 -0.744 0.000 1.226 511 F CB -0.854 37.494 39.000 -1.086 0.000 0.983 511 F HN 0.024 nan 8.300 nan 0.000 0.479 512 L N -0.013 120.799 121.223 -0.685 0.000 2.131 512 L HA -0.118 4.205 4.340 -0.028 0.000 0.210 512 L C 2.811 179.430 176.870 -0.418 0.000 1.092 512 L CA 1.147 55.605 54.840 -0.636 0.000 0.759 512 L CB -1.581 40.241 42.059 -0.396 0.000 0.903 512 L HN 0.396 nan 8.230 nan 0.000 0.435 513 G N -0.364 108.217 108.800 -0.365 0.000 2.402 513 G HA2 -0.165 3.778 3.960 -0.028 0.000 0.216 513 G HA3 -0.165 3.778 3.960 -0.028 0.000 0.216 513 G C 1.603 176.354 174.900 -0.250 0.000 1.162 513 G CA 0.724 45.683 45.100 -0.236 0.000 0.777 513 G HN 0.168 nan 8.290 nan 0.000 0.539 514 V N 1.550 121.151 119.914 -0.522 0.000 2.332 514 V HA -0.163 3.941 4.120 -0.028 0.000 0.248 514 V C 2.782 178.716 176.094 -0.267 0.000 1.055 514 V CA 1.172 63.213 62.300 -0.432 0.000 1.038 514 V CB -0.317 31.198 31.823 -0.514 0.000 0.651 514 V HN 0.270 nan 8.190 nan 0.000 0.450 515 I N -0.764 119.537 120.570 -0.448 0.000 2.252 515 I HA -0.188 3.965 4.170 -0.028 0.000 0.245 515 I C 2.304 178.351 176.117 -0.115 0.000 1.102 515 I CA 1.642 62.734 61.300 -0.346 0.000 1.385 515 I CB -1.220 36.452 38.000 -0.548 0.000 1.064 515 I HN 0.344 nan 8.210 nan 0.000 0.414 516 F N 1.362 121.196 119.950 -0.195 0.000 2.069 516 F HA -0.331 4.179 4.527 -0.028 0.000 0.298 516 F C 2.819 178.586 175.800 -0.055 0.000 1.113 516 F CA 1.824 59.762 58.000 -0.104 0.000 1.214 516 F CB -0.864 38.078 39.000 -0.098 0.000 0.978 516 F HN 0.077 nan 8.300 nan 0.000 0.474 517 Y N 0.991 121.233 120.300 -0.097 0.000 2.128 517 Y HA -0.273 4.260 4.550 -0.027 0.000 0.284 517 Y C 2.524 178.318 175.900 -0.177 0.000 1.154 517 Y CA 2.587 60.600 58.100 -0.144 0.000 1.149 517 Y CB -1.017 37.417 38.460 -0.043 0.000 0.976 517 Y HN 0.087 nan 8.280 nan 0.000 0.505 518 T N 1.342 115.881 114.554 -0.025 0.000 2.635 518 T HA -0.241 4.093 4.350 -0.028 0.000 0.267 518 T C 1.874 176.451 174.700 -0.205 0.000 1.040 518 T CA 2.109 64.164 62.100 -0.075 0.000 1.156 518 T CB -0.600 68.278 68.868 0.018 0.000 0.863 518 T HN 0.351 nan 8.240 nan 0.000 0.430 519 L N 1.021 122.116 121.223 -0.215 0.000 2.478 519 L HA 0.013 4.336 4.340 -0.028 0.000 0.223 519 L C 2.725 179.424 176.870 -0.286 0.000 1.140 519 L CA 1.189 55.912 54.840 -0.195 0.000 0.842 519 L CB -0.672 41.317 42.059 -0.116 0.000 0.953 519 L HN 0.491 nan 8.230 nan 0.000 0.452 520 T N -4.160 110.126 114.554 -0.446 0.000 3.038 520 T HA 0.085 4.419 4.350 -0.028 0.000 0.244 520 T C 1.752 176.204 174.700 -0.415 0.000 1.016 520 T CA -0.167 61.657 62.100 -0.460 0.000 1.098 520 T CB 0.185 68.647 68.868 -0.676 0.000 0.954 520 T HN 0.193 nan 8.240 nan 0.000 0.469 521 R N 0.872 121.019 120.500 -0.588 0.000 2.531 521 R HA 0.380 4.703 4.340 -0.028 0.000 0.316 521 R C 1.023 176.972 176.300 -0.585 0.000 0.955 521 R CA -0.217 55.517 56.100 -0.611 0.000 1.120 521 R CB 0.864 30.681 30.300 -0.805 0.000 1.361 521 R HN 0.399 nan 8.270 nan 0.000 0.534 522 G N 1.357 109.865 108.800 -0.486 0.000 2.432 522 G HA2 0.322 4.265 3.960 -0.028 0.000 0.239 522 G HA3 0.322 4.265 3.960 -0.028 0.000 0.239 522 G C 0.200 175.016 174.900 -0.141 0.000 1.291 522 G CA -0.244 44.716 45.100 -0.233 0.000 0.863 522 G HN 0.267 nan 8.290 nan 0.000 0.560 523 A N 2.159 124.936 122.820 -0.071 0.000 2.580 523 A HA 0.280 4.584 4.320 -0.028 0.000 0.244 523 A C 1.063 178.585 177.584 -0.104 0.000 1.045 523 A CA 0.106 52.102 52.037 -0.070 0.000 0.761 523 A CB 0.003 18.973 19.000 -0.051 0.000 0.962 523 A HN 0.804 nan 8.150 nan 0.000 0.512 524 R N 2.151 122.598 120.500 -0.088 0.000 2.537 524 R HA 0.302 4.625 4.340 -0.028 0.000 0.280 524 R C -0.492 175.747 176.300 -0.102 0.000 1.058 524 R CA 0.131 56.179 56.100 -0.088 0.000 1.057 524 R CB 0.194 30.457 30.300 -0.061 0.000 0.973 524 R HN 0.478 nan 8.270 nan 0.000 0.438 525 V N 4.593 124.436 119.914 -0.118 0.000 2.488 525 V HA 0.112 4.215 4.120 -0.028 0.000 0.277 525 V C 1.192 177.262 176.094 -0.040 0.000 1.046 525 V CA 0.575 62.798 62.300 -0.128 0.000 0.986 525 V CB 1.155 32.871 31.823 -0.178 0.000 0.989 525 V HN 1.080 nan 8.190 nan 0.000 0.475 526 T N 0.845 115.388 114.554 -0.018 0.000 3.054 526 T HA 0.584 4.917 4.350 -0.028 0.000 0.255 526 T C 0.250 174.973 174.700 0.037 0.000 1.035 526 T CA 0.399 62.503 62.100 0.007 0.000 0.941 526 T CB 0.397 69.264 68.868 -0.002 0.000 1.026 526 T HN 0.845 nan 8.240 nan 0.000 0.533 527 A N 0.779 123.644 122.820 0.074 0.000 2.475 527 A HA 0.695 4.999 4.320 -0.028 0.000 0.301 527 A C 0.469 178.152 177.584 0.166 0.000 1.059 527 A CA -0.844 51.254 52.037 0.101 0.000 0.710 527 A CB 1.133 20.187 19.000 0.090 0.000 1.288 527 A HN 0.014 nan 8.150 nan 0.000 0.408 528 N N 0.982 119.766 118.700 0.141 0.000 2.104 528 N HA -0.120 4.603 4.740 -0.028 0.000 0.190 528 N C 0.242 175.915 175.510 0.271 0.000 1.024 528 N CA 1.618 54.775 53.050 0.179 0.000 0.853 528 N CB -0.040 38.526 38.487 0.133 0.000 1.008 528 N HN 0.672 nan 8.380 nan 0.000 0.424 529 N N 0.187 118.996 118.700 0.182 0.000 2.569 529 N HA 0.022 4.745 4.740 -0.028 0.000 0.254 529 N C -0.428 175.020 175.510 -0.103 0.000 1.004 529 N CA -0.455 52.630 53.050 0.059 0.000 0.904 529 N CB 0.255 38.763 38.487 0.034 0.000 1.165 529 N HN 0.183 nan 8.380 nan 0.000 0.513 530 Y N 1.193 121.393 120.300 -0.166 0.000 2.490 530 Y HA 0.372 4.904 4.550 -0.029 0.000 0.281 530 Y C 0.822 176.469 175.900 -0.422 0.000 1.174 530 Y CA -0.698 57.215 58.100 -0.312 0.000 1.295 530 Y CB -0.280 37.946 38.460 -0.390 0.000 1.062 530 Y HN 0.342 nan 8.280 nan 0.000 0.522 531 W N 2.134 123.185 121.300 -0.415 0.000 2.903 531 W HA 0.202 4.846 4.660 -0.028 0.000 0.295 531 W C 0.192 176.567 176.519 -0.241 0.000 1.058 531 W CA 0.407 57.549 57.345 -0.339 0.000 1.687 531 W CB -0.193 28.862 29.460 -0.675 0.000 1.286 531 W HN 0.111 nan 8.180 nan 0.000 0.494 532 N N -1.513 117.152 118.700 -0.058 0.000 3.179 532 N HA 0.023 4.746 4.740 -0.028 0.000 0.250 532 N C -0.219 175.210 175.510 -0.135 0.000 1.507 532 N CA -0.409 52.608 53.050 -0.055 0.000 0.883 532 N CB 0.545 39.045 38.487 0.023 0.000 1.435 532 N HN 0.239 nan 8.380 nan 0.000 0.532 533 E N -1.558 118.552 120.200 -0.150 0.000 2.347 533 E HA -0.139 4.194 4.350 -0.028 0.000 0.196 533 E C 0.194 176.594 176.600 -0.333 0.000 1.008 533 E CA 0.843 57.097 56.400 -0.243 0.000 0.852 533 E CB -0.428 29.095 29.700 -0.296 0.000 0.783 533 E HN 0.545 nan 8.360 nan 0.000 0.505 534 H N 0.910 119.911 119.070 -0.113 0.000 2.547 534 H HA 0.265 4.805 4.556 -0.026 0.000 0.266 534 H C 0.411 175.639 175.328 -0.167 0.000 0.988 534 H CA 0.535 56.512 56.048 -0.118 0.000 1.147 534 H CB 0.259 29.951 29.762 -0.116 0.000 1.365 534 H HN 0.157 nan 8.280 nan 0.000 0.589 535 A N 2.533 125.241 122.820 -0.187 0.000 2.671 535 A HA 0.075 4.378 4.320 -0.028 0.000 0.306 535 A C 0.101 177.641 177.584 -0.073 0.000 1.473 535 A CA -0.424 51.435 52.037 -0.298 0.000 1.155 535 A CB -0.446 17.988 19.000 -0.943 0.000 1.123 535 A HN 0.308 nan 8.150 nan 0.000 0.545 536 D N 1.170 121.630 120.400 0.099 0.000 2.593 536 D HA 0.103 4.727 4.640 -0.028 0.000 0.241 536 D C 0.350 176.774 176.300 0.206 0.000 1.257 536 D CA 0.197 54.272 54.000 0.124 0.000 0.828 536 D CB -0.401 40.419 40.800 0.033 0.000 1.049 536 D HN 0.353 nan 8.370 nan 0.000 0.490 537 T N -3.180 111.606 114.554 0.388 0.000 2.948 537 T HA 0.421 4.754 4.350 -0.028 0.000 0.285 537 T C 1.473 176.409 174.700 0.392 0.000 1.019 537 T CA -0.913 61.392 62.100 0.341 0.000 1.013 537 T CB 1.349 70.392 68.868 0.292 0.000 1.117 537 T HN -0.039 nan 8.240 nan 0.000 0.533 538 L N 0.854 122.284 121.223 0.346 0.000 2.187 538 L HA -0.093 4.231 4.340 -0.028 0.000 0.213 538 L C 3.032 180.063 176.870 0.268 0.000 1.100 538 L CA 1.455 56.489 54.840 0.323 0.000 0.765 538 L CB -0.562 41.710 42.059 0.355 0.000 0.904 538 L HN 0.854 nan 8.230 nan 0.000 0.437 539 E N -0.021 120.296 120.200 0.195 0.000 2.204 539 E HA -0.253 4.080 4.350 -0.028 0.000 0.195 539 E C 1.630 178.124 176.600 -0.177 0.000 0.990 539 E CA 1.267 57.642 56.400 -0.041 0.000 0.821 539 E CB -0.544 29.100 29.700 -0.094 0.000 0.750 539 E HN 0.614 nan 8.360 nan 0.000 0.477 540 W N 2.150 123.584 121.300 0.224 0.000 3.047 540 W HA 0.035 4.679 4.660 -0.025 0.000 0.250 540 W C 2.074 178.642 176.519 0.082 0.000 1.314 540 W CA 0.970 58.382 57.345 0.112 0.000 1.540 540 W CB 0.149 29.654 29.460 0.075 0.000 1.127 540 W HN 0.155 nan 8.180 nan 0.000 0.679 541 T N -2.409 112.287 114.554 0.237 0.000 3.065 541 T HA 0.205 4.539 4.350 -0.028 0.000 0.252 541 T C 0.657 175.408 174.700 0.086 0.000 1.099 541 T CA 0.097 62.291 62.100 0.157 0.000 1.063 541 T CB -0.218 68.740 68.868 0.149 0.000 0.948 541 T HN -0.115 nan 8.240 nan 0.000 0.506 542 L N 2.265 123.520 121.223 0.053 0.000 2.448 542 L HA 0.503 4.827 4.340 -0.028 0.000 0.258 542 L C 1.117 178.000 176.870 0.021 0.000 1.104 542 L CA -1.252 53.575 54.840 -0.020 0.000 0.800 542 L CB 0.830 42.824 42.059 -0.108 0.000 1.241 542 L HN 0.170 nan 8.230 nan 0.000 0.472 543 T N -2.201 112.349 114.554 -0.006 0.000 2.766 543 T HA 0.235 4.568 4.350 -0.028 0.000 0.295 543 T C 0.059 174.788 174.700 0.049 0.000 1.024 543 T CA -0.709 61.406 62.100 0.025 0.000 1.018 543 T CB 0.837 69.704 68.868 -0.001 0.000 1.002 543 T HN 0.483 nan 8.240 nan 0.000 0.532 544 S N 3.095 118.841 115.700 0.077 0.000 2.667 544 S HA 0.431 4.885 4.470 -0.028 0.000 0.304 544 S C -2.456 172.176 174.600 0.054 0.000 1.135 544 S CA -0.987 57.275 58.200 0.103 0.000 1.125 544 S CB 0.931 64.241 63.200 0.183 0.000 0.996 544 S HN 0.693 nan 8.310 nan 0.000 0.474 545 P HA 0.380 nan 4.420 nan 0.000 0.276 545 P C -2.893 174.409 177.300 0.002 0.000 1.244 545 P CA -1.808 61.319 63.100 0.046 0.000 0.801 545 P CB -0.418 31.310 31.700 0.046 0.000 1.006 546 P HA 0.121 nan 4.420 nan 0.000 0.269 546 P C -2.059 175.163 177.300 -0.129 0.000 1.217 546 P CA -0.777 62.264 63.100 -0.099 0.000 0.783 546 P CB -1.212 30.392 31.700 -0.160 0.000 0.898 547 P HA 0.042 nan 4.420 nan 0.000 0.270 547 P C 0.538 177.728 177.300 -0.182 0.000 1.223 547 P CA 0.158 63.179 63.100 -0.131 0.000 0.785 547 P CB 0.832 32.467 31.700 -0.108 0.000 0.923 548 E N 0.259 120.353 120.200 -0.176 0.000 2.070 548 E HA -0.208 4.125 4.350 -0.028 0.000 0.197 548 E C -0.008 176.334 176.600 -0.430 0.000 1.004 548 E CA 1.544 57.763 56.400 -0.301 0.000 0.805 548 E CB -0.339 29.210 29.700 -0.251 0.000 0.744 548 E HN 0.624 nan 8.360 nan 0.000 0.451 549 H N -0.155 118.832 119.070 -0.139 0.000 2.541 549 H HA 0.205 4.745 4.556 -0.028 0.000 0.316 549 H C -0.457 174.792 175.328 -0.132 0.000 1.043 549 H CA -0.391 55.590 56.048 -0.111 0.000 1.232 549 H CB 1.240 30.954 29.762 -0.080 0.000 1.406 549 H HN -0.008 nan 8.280 nan 0.000 0.469 550 T N 0.560 115.075 114.554 -0.064 0.000 2.929 550 T HA 0.554 4.888 4.350 -0.028 0.000 0.284 550 T C -0.282 174.357 174.700 -0.101 0.000 1.014 550 T CA -0.763 61.184 62.100 -0.255 0.000 1.051 550 T CB 0.967 69.552 68.868 -0.472 0.000 1.028 550 T HN 0.461 nan 8.240 nan 0.000 0.485 551 F N 0.000 119.947 119.950 -0.005 0.000 2.286 551 F HA 0.000 4.510 4.527 -0.028 0.000 0.279 551 F CA 0.000 57.993 58.000 -0.012 0.000 1.383 551 F CB 0.000 38.985 39.000 -0.025 0.000 1.145 551 F HN 0.000 nan 8.300 nan 0.000 0.574