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 3ms2_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.981 176.000 -0.032 0.000 1.003 12 Q CA 0.000 55.770 55.803 -0.055 0.000 1.022 12 Q CB 0.000 28.699 28.738 -0.064 0.000 1.108 13 I N -0.718 119.839 120.570 -0.022 0.000 2.562 13 I HA 0.515 4.676 4.170 -0.015 0.000 0.301 13 I C 0.788 176.905 176.117 -0.001 0.000 1.003 13 I CA -0.230 61.066 61.300 -0.007 0.000 1.127 13 I CB 2.103 40.103 38.000 -0.001 0.000 1.304 13 I HN 0.123 nan 8.210 nan 0.000 0.446 14 S N 3.266 118.972 115.700 0.009 0.000 2.368 14 S HA -0.133 4.328 4.470 -0.015 0.000 0.225 14 S C 1.727 176.338 174.600 0.018 0.000 1.030 14 S CA 1.863 60.070 58.200 0.012 0.000 0.999 14 S CB -0.462 62.749 63.200 0.019 0.000 0.844 14 S HN 0.748 nan 8.310 nan 0.000 0.459 15 V N 0.011 119.943 119.914 0.029 0.000 3.078 15 V HA 0.107 4.218 4.120 -0.015 0.000 0.265 15 V C 1.791 177.902 176.094 0.028 0.000 1.122 15 V CA 1.243 63.565 62.300 0.036 0.000 1.141 15 V CB -0.954 30.898 31.823 0.047 0.000 0.735 15 V HN 0.341 nan 8.190 nan 0.000 0.498 16 R N 1.313 121.820 120.500 0.012 0.000 2.319 16 R HA 0.423 4.754 4.340 -0.015 0.000 0.204 16 R C 1.140 177.434 176.300 -0.010 0.000 0.954 16 R CA 0.567 56.668 56.100 0.000 0.000 1.066 16 R CB -0.150 30.145 30.300 -0.009 0.000 0.991 16 R HN 0.782 nan 8.270 nan 0.000 0.486 17 G N 0.545 109.340 108.800 -0.009 0.000 2.710 17 G HA2 -0.211 3.739 3.960 -0.015 0.000 0.668 17 G HA3 -0.211 3.739 3.960 -0.015 0.000 0.668 17 G C -0.915 173.973 174.900 -0.021 0.000 1.320 17 G CA -1.110 43.977 45.100 -0.021 0.000 0.860 17 G HN -0.027 nan 8.290 nan 0.000 0.538 18 L N 0.484 121.693 121.223 -0.023 0.000 2.349 18 L HA 0.600 4.931 4.340 -0.015 0.000 0.275 18 L C 1.304 178.162 176.870 -0.020 0.000 1.115 18 L CA 0.601 55.430 54.840 -0.019 0.000 0.820 18 L CB 0.902 42.952 42.059 -0.016 0.000 1.135 18 L HN 1.489 nan 8.230 nan 0.000 0.445 19 A N 3.077 125.887 122.820 -0.017 0.000 3.173 19 A HA 0.558 4.869 4.320 -0.015 0.000 0.304 19 A C 0.786 178.366 177.584 -0.007 0.000 1.318 19 A CA -0.327 51.701 52.037 -0.014 0.000 1.069 19 A CB -0.404 18.584 19.000 -0.019 0.000 1.147 19 A HN 0.805 nan 8.150 nan 0.000 0.547 20 G N -0.302 108.496 108.800 -0.003 0.000 2.554 20 G HA2 0.330 4.281 3.960 -0.015 0.000 0.238 20 G HA3 0.330 4.281 3.960 -0.015 0.000 0.238 20 G C 1.016 175.921 174.900 0.009 0.000 1.259 20 G CA 0.034 45.136 45.100 0.003 0.000 0.843 20 G HN 0.454 nan 8.290 nan 0.000 0.582 21 V N 1.287 121.207 119.914 0.010 0.000 2.295 21 V HA -0.170 3.941 4.120 -0.015 0.000 0.246 21 V C 2.633 178.738 176.094 0.019 0.000 1.049 21 V CA 2.396 64.704 62.300 0.013 0.000 1.024 21 V CB -0.664 31.165 31.823 0.011 0.000 0.648 21 V HN 0.834 nan 8.190 nan 0.000 0.447 22 E N 0.526 120.738 120.200 0.020 0.000 2.106 22 E HA -0.187 4.154 4.350 -0.015 0.000 0.192 22 E C 2.007 178.630 176.600 0.038 0.000 0.984 22 E CA 1.622 58.038 56.400 0.026 0.000 0.806 22 E CB -0.222 29.492 29.700 0.024 0.000 0.750 22 E HN 0.684 nan 8.360 nan 0.000 0.458 23 N N -1.151 117.572 118.700 0.037 0.000 2.135 23 N HA -0.117 4.613 4.740 -0.015 0.000 0.186 23 N C 1.599 177.138 175.510 0.048 0.000 1.027 23 N CA 1.261 54.341 53.050 0.050 0.000 0.849 23 N CB 0.135 38.642 38.487 0.033 0.000 1.002 23 N HN -0.028 nan 8.380 nan 0.000 0.425 24 V N 0.405 120.338 119.914 0.030 0.000 2.332 24 V HA -0.254 3.857 4.120 -0.015 0.000 0.248 24 V C 2.031 178.146 176.094 0.036 0.000 1.055 24 V CA 1.902 64.218 62.300 0.026 0.000 1.038 24 V CB -0.926 30.907 31.823 0.017 0.000 0.651 24 V HN 0.434 nan 8.190 nan 0.000 0.450 25 T N -0.709 113.867 114.554 0.037 0.000 2.708 25 T HA -0.230 4.111 4.350 -0.015 0.000 0.266 25 T C 1.918 176.652 174.700 0.058 0.000 1.037 25 T CA 1.803 63.926 62.100 0.039 0.000 1.146 25 T CB -0.213 68.674 68.868 0.031 0.000 0.865 25 T HN 0.436 nan 8.240 nan 0.000 0.435 26 E N 0.841 121.082 120.200 0.069 0.000 2.047 26 E HA -0.001 4.340 4.350 -0.015 0.000 0.191 26 E C 2.109 178.789 176.600 0.134 0.000 0.987 26 E CA 0.748 57.203 56.400 0.092 0.000 0.799 26 E CB -0.474 29.284 29.700 0.097 0.000 0.752 26 E HN 0.413 nan 8.360 nan 0.000 0.449 27 L N 0.218 121.525 121.223 0.140 0.000 2.042 27 L HA -0.248 4.082 4.340 -0.015 0.000 0.210 27 L C 2.357 179.334 176.870 0.178 0.000 1.076 27 L CA 1.540 56.481 54.840 0.169 0.000 0.749 27 L CB -0.366 41.756 42.059 0.105 0.000 0.893 27 L HN 0.078 nan 8.230 nan 0.000 0.432 28 K N 0.417 120.883 120.400 0.109 0.000 2.057 28 K HA -0.206 4.105 4.320 -0.015 0.000 0.207 28 K C 2.137 178.838 176.600 0.168 0.000 1.049 28 K CA 1.734 58.080 56.287 0.097 0.000 0.931 28 K CB -0.081 32.437 32.500 0.031 0.000 0.714 28 K HN 0.372 nan 8.250 nan 0.000 0.440 29 K N 0.360 120.839 120.400 0.132 0.000 2.103 29 K HA -0.054 4.257 4.320 -0.015 0.000 0.204 29 K C 1.623 178.309 176.600 0.144 0.000 1.052 29 K CA 1.419 57.777 56.287 0.120 0.000 0.945 29 K CB -0.089 32.457 32.500 0.077 0.000 0.722 29 K HN -0.018 nan 8.250 nan 0.000 0.443 30 N N 0.293 119.094 118.700 0.167 0.000 2.270 30 N HA -0.116 4.615 4.740 -0.015 0.000 0.181 30 N C 1.586 177.250 175.510 0.257 0.000 1.016 30 N CA 0.997 54.144 53.050 0.162 0.000 0.870 30 N CB -0.234 38.369 38.487 0.194 0.000 0.979 30 N HN 0.220 nan 8.380 nan 0.000 0.431 31 F N 2.514 122.565 119.950 0.169 0.000 2.102 31 F HA -0.098 4.420 4.527 -0.015 0.000 0.298 31 F C 2.024 177.923 175.800 0.165 0.000 1.105 31 F CA 1.272 59.384 58.000 0.186 0.000 1.239 31 F CB -0.105 38.974 39.000 0.132 0.000 0.991 31 F HN -0.022 nan 8.300 nan 0.000 0.474 32 N N 0.349 119.257 118.700 0.346 0.000 2.244 32 N HA -0.158 4.573 4.740 -0.015 0.000 0.183 32 N C 2.021 177.594 175.510 0.106 0.000 1.016 32 N CA 0.944 54.120 53.050 0.209 0.000 0.866 32 N CB -0.493 38.104 38.487 0.182 0.000 0.980 32 N HN 0.365 nan 8.380 nan 0.000 0.430 33 R N 0.363 120.931 120.500 0.113 0.000 2.083 33 R HA -0.116 4.215 4.340 -0.015 0.000 0.237 33 R C 1.822 178.197 176.300 0.124 0.000 1.137 33 R CA 1.554 57.750 56.100 0.160 0.000 0.951 33 R CB -0.212 30.127 30.300 0.065 0.000 0.851 33 R HN 0.378 nan 8.270 nan 0.000 0.434 34 H N -0.381 118.732 119.070 0.070 0.000 2.357 34 H HA -0.131 4.416 4.556 -0.015 0.000 0.301 34 H C 1.909 177.153 175.328 -0.140 0.000 1.082 34 H CA 1.460 57.477 56.048 -0.051 0.000 1.342 34 H CB 0.016 29.706 29.762 -0.119 0.000 1.389 34 H HN 0.118 nan 8.280 nan 0.000 0.511 35 L N 0.099 121.277 121.223 -0.075 0.000 2.043 35 L HA -0.235 4.096 4.340 -0.015 0.000 0.212 35 L C 2.244 179.072 176.870 -0.070 0.000 1.075 35 L CA 2.004 56.774 54.840 -0.116 0.000 0.752 35 L CB -0.536 41.470 42.059 -0.088 0.000 0.891 35 L HN 0.327 nan 8.230 nan 0.000 0.432 36 H N -1.858 117.112 119.070 -0.167 0.000 2.276 36 H HA -0.088 4.459 4.556 -0.015 0.000 0.307 36 H C 1.827 176.950 175.328 -0.341 0.000 1.061 36 H CA 2.284 58.141 56.048 -0.319 0.000 1.336 36 H CB -0.282 29.176 29.762 -0.507 0.000 1.396 36 H HN 0.292 nan 8.280 nan 0.000 0.503 37 F N -0.535 119.390 119.950 -0.041 0.000 2.293 37 F HA 0.003 4.521 4.527 -0.015 0.000 0.297 37 F C 2.528 178.252 175.800 -0.126 0.000 1.089 37 F CA 1.325 59.262 58.000 -0.105 0.000 1.377 37 F CB -0.267 38.713 39.000 -0.033 0.000 1.051 37 F HN 0.188 nan 8.300 nan 0.000 0.511 38 T N -0.434 114.146 114.554 0.043 0.000 2.983 38 T HA 0.114 4.455 4.350 -0.015 0.000 0.250 38 T C 1.866 176.455 174.700 -0.185 0.000 1.037 38 T CA 0.724 62.774 62.100 -0.084 0.000 1.142 38 T CB -0.168 68.602 68.868 -0.163 0.000 0.876 38 T HN 0.091 nan 8.240 nan 0.000 0.455 39 L N 1.121 122.232 121.223 -0.187 0.000 2.554 39 L HA 0.228 4.559 4.340 -0.015 0.000 0.225 39 L C 0.302 177.067 176.870 -0.176 0.000 1.104 39 L CA -0.100 54.620 54.840 -0.199 0.000 0.866 39 L CB 0.096 42.041 42.059 -0.189 0.000 1.047 39 L HN -0.045 nan 8.230 nan 0.000 0.468 40 V N 0.226 120.022 119.914 -0.197 0.000 5.961 40 V HA -0.277 3.834 4.120 -0.015 0.000 0.311 40 V C -0.121 175.859 176.094 -0.190 0.000 0.552 40 V CA 1.045 63.206 62.300 -0.231 0.000 0.641 40 V CB -2.283 29.434 31.823 -0.177 0.000 0.286 40 V HN 0.414 nan 8.190 nan 0.000 0.939 41 K N 0.891 121.185 120.400 -0.177 0.000 2.512 41 K HA 0.707 5.018 4.320 -0.015 0.000 0.263 41 K C -0.503 176.064 176.600 -0.055 0.000 0.966 41 K CA -0.490 55.729 56.287 -0.113 0.000 0.851 41 K CB 2.875 35.303 32.500 -0.119 0.000 1.395 41 K HN 0.483 nan 8.250 nan 0.000 0.440 42 D N -0.546 119.845 120.400 -0.015 0.000 2.467 42 D HA 0.311 4.942 4.640 -0.015 0.000 0.245 42 D C 0.707 177.041 176.300 0.056 0.000 1.038 42 D CA -0.667 53.357 54.000 0.041 0.000 1.038 42 D CB 0.819 41.648 40.800 0.049 0.000 1.278 42 D HN 0.128 nan 8.370 nan 0.000 0.564 43 R N -0.036 120.529 120.500 0.108 0.000 2.249 43 R HA -0.037 4.293 4.340 -0.015 0.000 0.230 43 R C 0.836 177.210 176.300 0.123 0.000 1.121 43 R CA 0.629 56.834 56.100 0.174 0.000 0.997 43 R CB -0.683 29.722 30.300 0.174 0.000 0.867 43 R HN 0.526 nan 8.270 nan 0.000 0.465 44 N N 0.282 119.021 118.700 0.065 0.000 2.376 44 N HA -0.073 4.658 4.740 -0.015 0.000 0.177 44 N C 1.666 177.191 175.510 0.025 0.000 1.024 44 N CA 1.232 54.309 53.050 0.045 0.000 0.893 44 N CB 0.219 38.723 38.487 0.029 0.000 0.980 44 N HN 0.226 nan 8.380 nan 0.000 0.439 45 V N -2.652 117.264 119.914 0.002 0.000 3.605 45 V HA 0.514 4.624 4.120 -0.015 0.000 0.284 45 V C 0.853 176.906 176.094 -0.068 0.000 1.386 45 V CA -0.562 61.724 62.300 -0.024 0.000 1.053 45 V CB -0.434 31.372 31.823 -0.030 0.000 0.857 45 V HN 0.059 nan 8.190 nan 0.000 0.436 46 A N 2.512 125.267 122.820 -0.108 0.000 2.492 46 A HA 0.524 4.835 4.320 -0.015 0.000 0.254 46 A C 0.842 178.231 177.584 -0.324 0.000 1.091 46 A CA 0.779 52.635 52.037 -0.301 0.000 0.768 46 A CB -0.296 18.375 19.000 -0.549 0.000 1.028 46 A HN 0.805 nan 8.150 nan 0.000 0.498 47 T N 0.758 115.146 114.554 -0.277 0.000 2.847 47 T HA 0.472 4.813 4.350 -0.015 0.000 0.279 47 T C -1.929 172.650 174.700 -0.200 0.000 0.984 47 T CA -1.506 60.500 62.100 -0.156 0.000 0.988 47 T CB 0.847 69.675 68.868 -0.067 0.000 1.040 47 T HN 0.297 nan 8.240 nan 0.000 0.528 48 P HA -0.027 nan 4.420 nan 0.000 0.218 48 P C 1.580 178.958 177.300 0.129 0.000 1.149 48 P CA 0.806 63.996 63.100 0.150 0.000 0.817 48 P CB 0.024 31.800 31.700 0.126 0.000 0.785 49 R N 0.147 120.677 120.500 0.050 0.000 2.092 49 R HA -0.122 4.209 4.340 -0.015 0.000 0.231 49 R C 1.628 178.068 176.300 0.233 0.000 1.119 49 R CA 1.593 57.748 56.100 0.092 0.000 0.970 49 R CB -0.652 29.648 30.300 0.001 0.000 0.864 49 R HN 0.082 nan 8.270 nan 0.000 0.440 50 D N -0.292 120.153 120.400 0.074 0.000 2.117 50 D HA -0.190 4.441 4.640 -0.015 0.000 0.197 50 D C 1.641 177.962 176.300 0.034 0.000 0.987 50 D CA 1.300 55.307 54.000 0.012 0.000 0.829 50 D CB -0.239 40.426 40.800 -0.224 0.000 0.961 50 D HN 0.299 nan 8.370 nan 0.000 0.460 51 Y N 0.167 120.558 120.300 0.152 0.000 2.181 51 Y HA -0.207 4.334 4.550 -0.015 0.000 0.288 51 Y C 2.328 178.364 175.900 0.227 0.000 1.146 51 Y CA 0.304 58.544 58.100 0.232 0.000 1.164 51 Y CB -1.176 37.471 38.460 0.311 0.000 0.982 51 Y HN 0.091 nan 8.280 nan 0.000 0.515 52 Y N -0.451 119.976 120.300 0.213 0.000 2.128 52 Y HA -0.293 4.248 4.550 -0.015 0.000 0.284 52 Y C 2.001 177.892 175.900 -0.016 0.000 1.154 52 Y CA 1.388 59.515 58.100 0.045 0.000 1.149 52 Y CB -1.148 37.217 38.460 -0.159 0.000 0.976 52 Y HN 0.053 nan 8.280 nan 0.000 0.505 53 F N 0.160 119.918 119.950 -0.321 0.000 2.186 53 F HA -0.135 4.384 4.527 -0.015 0.000 0.299 53 F C 2.662 178.293 175.800 -0.282 0.000 1.090 53 F CA 1.131 58.887 58.000 -0.407 0.000 1.307 53 F CB -0.789 38.114 39.000 -0.162 0.000 1.019 53 F HN 0.206 nan 8.300 nan 0.000 0.489 54 A N 0.019 122.766 122.820 -0.121 0.000 1.883 54 A HA -0.211 4.099 4.320 -0.015 0.000 0.217 54 A C 2.061 179.523 177.584 -0.203 0.000 1.186 54 A CA 1.713 53.537 52.037 -0.355 0.000 0.624 54 A CB -1.073 17.366 19.000 -0.935 0.000 0.822 54 A HN 0.349 nan 8.150 nan 0.000 0.444 55 L N -0.239 121.005 121.223 0.036 0.000 2.017 55 L HA -0.063 4.268 4.340 -0.015 0.000 0.208 55 L C 2.728 179.608 176.870 0.017 0.000 1.073 55 L CA 2.277 57.266 54.840 0.248 0.000 0.745 55 L CB -0.940 41.329 42.059 0.349 0.000 0.894 55 L HN 0.359 nan 8.230 nan 0.000 0.432 56 A N -1.284 121.380 122.820 -0.260 0.000 1.883 56 A HA -0.303 4.008 4.320 -0.015 0.000 0.217 56 A C 2.150 179.438 177.584 -0.494 0.000 1.186 56 A CA 2.131 53.911 52.037 -0.430 0.000 0.624 56 A CB -1.115 17.345 19.000 -0.900 0.000 0.822 56 A HN 0.680 nan 8.150 nan 0.000 0.444 57 H N -0.717 118.055 119.070 -0.498 0.000 2.387 57 H HA -0.050 4.497 4.556 -0.015 0.000 0.299 57 H C 2.361 177.425 175.328 -0.441 0.000 1.090 57 H CA 1.976 57.641 56.048 -0.639 0.000 1.332 57 H CB -0.362 28.753 29.762 -1.078 0.000 1.386 57 H HN 0.464 nan 8.280 nan 0.000 0.516 58 T N -0.314 114.215 114.554 -0.042 0.000 2.746 58 T HA -0.135 4.206 4.350 -0.015 0.000 0.267 58 T C 2.264 177.133 174.700 0.282 0.000 1.039 58 T CA 1.410 63.668 62.100 0.265 0.000 1.142 58 T CB -0.420 68.661 68.868 0.356 0.000 0.866 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 2.426 122.452 119.914 0.187 0.000 2.379 59 V HA -0.154 3.957 4.120 -0.015 0.000 0.245 59 V C 2.659 178.913 176.094 0.268 0.000 1.044 59 V CA 1.899 64.330 62.300 0.218 0.000 1.036 59 V CB -0.681 31.279 31.823 0.227 0.000 0.664 59 V HN 0.520 nan 8.190 nan 0.000 0.453 60 R N 0.344 120.938 120.500 0.158 0.000 2.148 60 R HA -0.176 4.154 4.340 -0.015 0.000 0.227 60 R C 1.663 178.055 176.300 0.152 0.000 1.103 60 R CA 1.892 58.085 56.100 0.155 0.000 0.983 60 R CB -0.682 29.535 30.300 -0.139 0.000 0.874 60 R HN 0.362 nan 8.270 nan 0.000 0.451 61 D N 0.930 121.425 120.400 0.157 0.000 2.158 61 D HA -0.173 4.457 4.640 -0.015 0.000 0.197 61 D C 1.680 178.026 176.300 0.077 0.000 0.995 61 D CA 1.246 55.326 54.000 0.133 0.000 0.846 61 D CB -0.379 40.514 40.800 0.155 0.000 0.941 61 D HN 0.516 nan 8.370 nan 0.000 0.456 62 H N -0.390 118.738 119.070 0.097 0.000 2.524 62 H HA 0.044 4.591 4.556 -0.015 0.000 0.282 62 H C 2.154 177.521 175.328 0.065 0.000 1.016 62 H CA 0.302 56.394 56.048 0.073 0.000 1.270 62 H CB 0.334 30.132 29.762 0.060 0.000 1.394 62 H HN 0.192 nan 8.280 nan 0.000 0.568 63 L N 0.747 122.081 121.223 0.185 0.000 2.240 63 L HA -0.101 4.229 4.340 -0.015 0.000 0.211 63 L C 2.788 179.769 176.870 0.185 0.000 1.106 63 L CA 0.375 55.291 54.840 0.127 0.000 0.793 63 L CB -0.144 41.956 42.059 0.068 0.000 0.927 63 L HN 0.138 nan 8.230 nan 0.000 0.446 64 V N -1.942 118.090 119.914 0.196 0.000 2.307 64 V HA -0.072 4.039 4.120 -0.015 0.000 0.245 64 V C 2.275 178.468 176.094 0.165 0.000 1.045 64 V CA 1.941 64.383 62.300 0.236 0.000 1.024 64 V CB -1.408 30.518 31.823 0.172 0.000 0.651 64 V HN 0.331 nan 8.190 nan 0.000 0.449 65 G N 0.170 109.025 108.800 0.092 0.000 2.446 65 G HA2 -0.248 3.702 3.960 -0.015 0.000 0.217 65 G HA3 -0.248 3.702 3.960 -0.015 0.000 0.217 65 G C 1.750 176.689 174.900 0.066 0.000 1.168 65 G CA 1.014 46.146 45.100 0.053 0.000 0.771 65 G HN 0.544 nan 8.290 nan 0.000 0.551 66 R N -1.387 119.160 120.500 0.078 0.000 2.091 66 R HA -0.115 4.216 4.340 -0.015 0.000 0.238 66 R C 2.281 178.657 176.300 0.127 0.000 1.136 66 R CA 1.369 57.505 56.100 0.061 0.000 0.959 66 R CB -0.383 29.939 30.300 0.036 0.000 0.856 66 R HN 0.493 nan 8.270 nan 0.000 0.437 67 W N 1.495 122.773 121.300 -0.037 0.000 2.354 67 W HA -0.070 4.581 4.660 -0.015 0.000 0.315 67 W C 1.790 178.283 176.519 -0.044 0.000 1.206 67 W CA 0.897 58.219 57.345 -0.038 0.000 1.290 67 W CB -0.699 28.756 29.460 -0.008 0.000 1.152 67 W HN -0.032 nan 8.180 nan 0.000 0.489 68 I N 1.056 121.683 120.570 0.094 0.000 2.163 68 I HA -0.373 3.788 4.170 -0.015 0.000 0.243 68 I C 2.669 178.773 176.117 -0.022 0.000 1.085 68 I CA 2.176 63.452 61.300 -0.041 0.000 1.347 68 I CB -0.608 37.370 38.000 -0.037 0.000 1.044 68 I HN 0.020 nan 8.210 nan 0.000 0.408 69 R N 0.171 120.671 120.500 -0.000 0.000 2.153 69 R HA -0.032 4.299 4.340 -0.015 0.000 0.218 69 R C 1.967 178.229 176.300 -0.065 0.000 1.072 69 R CA 1.414 57.502 56.100 -0.020 0.000 0.990 69 R CB -1.123 29.166 30.300 -0.018 0.000 0.889 69 R HN 0.159 nan 8.270 nan 0.000 0.452 70 T N 1.726 116.221 114.554 -0.097 0.000 2.652 70 T HA -0.133 4.208 4.350 -0.015 0.000 0.267 70 T C 1.815 176.256 174.700 -0.433 0.000 1.039 70 T CA 1.534 63.464 62.100 -0.284 0.000 1.153 70 T CB -0.155 68.599 68.868 -0.190 0.000 0.863 70 T HN 0.246 nan 8.240 nan 0.000 0.428 71 Q N 0.718 120.424 119.800 -0.157 0.000 2.124 71 Q HA -0.088 4.242 4.340 -0.015 0.000 0.202 71 Q C 2.373 178.398 176.000 0.041 0.000 0.977 71 Q CA 1.329 57.120 55.803 -0.020 0.000 0.850 71 Q CB -0.561 28.192 28.738 0.026 0.000 0.901 71 Q HN 0.467 nan 8.270 nan 0.000 0.429 72 Q N 0.083 119.889 119.800 0.011 0.000 2.050 72 Q HA -0.185 4.146 4.340 -0.015 0.000 0.202 72 Q C 1.932 178.006 176.000 0.123 0.000 0.980 72 Q CA 1.985 57.829 55.803 0.068 0.000 0.840 72 Q CB -0.433 28.323 28.738 0.031 0.000 0.898 72 Q HN 0.578 nan 8.270 nan 0.000 0.424 73 H N -1.039 117.991 119.070 -0.066 0.000 2.289 73 H HA -0.214 4.333 4.556 -0.015 0.000 0.296 73 H C 1.346 176.710 175.328 0.060 0.000 1.091 73 H CA 2.471 58.481 56.048 -0.063 0.000 1.274 73 H CB -0.375 29.272 29.762 -0.191 0.000 1.364 73 H HN 0.365 nan 8.280 nan 0.000 0.490 74 Y N -0.996 119.378 120.300 0.123 0.000 2.207 74 Y HA -0.243 4.298 4.550 -0.015 0.000 0.287 74 Y C 2.538 178.472 175.900 0.057 0.000 1.156 74 Y CA 1.230 59.368 58.100 0.063 0.000 1.182 74 Y CB -1.419 37.126 38.460 0.142 0.000 0.979 74 Y HN 0.387 nan 8.280 nan 0.000 0.521 75 Y N 1.171 121.556 120.300 0.141 0.000 2.200 75 Y HA -0.182 4.359 4.550 -0.015 0.000 0.290 75 Y C 2.130 178.036 175.900 0.010 0.000 1.137 75 Y CA 1.708 59.851 58.100 0.070 0.000 1.163 75 Y CB -0.011 38.483 38.460 0.057 0.000 0.988 75 Y HN 0.024 nan 8.280 nan 0.000 0.518 76 E N 0.424 120.644 120.200 0.033 0.000 2.046 76 E HA -0.157 4.184 4.350 -0.015 0.000 0.190 76 E C 2.002 178.510 176.600 -0.153 0.000 0.982 76 E CA 1.271 57.628 56.400 -0.072 0.000 0.800 76 E CB -0.309 29.381 29.700 -0.016 0.000 0.756 76 E HN 0.470 nan 8.360 nan 0.000 0.449 77 K N 0.519 120.803 120.400 -0.193 0.000 2.305 77 K HA -0.073 4.238 4.320 -0.015 0.000 0.199 77 K C -0.128 176.404 176.600 -0.114 0.000 1.047 77 K CA 0.422 56.600 56.287 -0.182 0.000 0.976 77 K CB 0.085 32.406 32.500 -0.297 0.000 0.765 77 K HN -0.019 nan 8.250 nan 0.000 0.474 78 D N 0.898 121.239 120.400 -0.099 0.000 2.697 78 D HA -0.100 4.531 4.640 -0.015 0.000 0.235 78 D C -2.539 173.729 176.300 -0.052 0.000 1.167 78 D CA 0.080 54.029 54.000 -0.085 0.000 0.656 78 D CB -0.122 40.593 40.800 -0.142 0.000 1.025 78 D HN 0.154 nan 8.370 nan 0.000 0.419 79 P HA 0.124 nan 4.420 nan 0.000 0.276 79 P C -0.220 177.042 177.300 -0.064 0.000 1.261 79 P CA -0.584 62.491 63.100 -0.043 0.000 0.800 79 P CB 0.583 32.259 31.700 -0.040 0.000 1.066 80 K N 1.188 121.553 120.400 -0.058 0.000 2.447 80 K HA 0.024 4.335 4.320 -0.015 0.000 0.281 80 K C -0.109 176.403 176.600 -0.147 0.000 1.031 80 K CA 0.129 56.372 56.287 -0.073 0.000 1.019 80 K CB 0.116 32.592 32.500 -0.040 0.000 0.918 80 K HN 0.259 nan 8.250 nan 0.000 0.476 81 R N 3.859 124.253 120.500 -0.176 0.000 2.312 81 R HA 0.309 4.640 4.340 -0.015 0.000 0.311 81 R C -0.498 175.503 176.300 -0.497 0.000 1.004 81 R CA -0.556 55.346 56.100 -0.330 0.000 0.902 81 R CB 0.811 30.922 30.300 -0.315 0.000 1.073 81 R HN 0.494 nan 8.270 nan 0.000 0.457 82 I N 4.462 124.686 120.570 -0.577 0.000 2.321 82 I HA 0.185 4.346 4.170 -0.015 0.000 0.291 82 I C -0.587 175.193 176.117 -0.562 0.000 0.998 82 I CA -0.799 60.116 61.300 -0.642 0.000 1.227 82 I CB 0.681 38.187 38.000 -0.824 0.000 1.368 82 I HN 0.530 nan 8.210 nan 0.000 0.466 83 Y N 6.012 126.264 120.300 -0.080 0.000 2.402 83 Y HA 0.276 4.817 4.550 -0.015 0.000 0.332 83 Y C -0.251 175.742 175.900 0.156 0.000 0.960 83 Y CA -0.736 57.434 58.100 0.117 0.000 1.228 83 Y CB 0.995 39.473 38.460 0.029 0.000 1.120 83 Y HN 0.397 nan 8.280 nan 0.000 0.491 84 Y N 4.552 125.023 120.300 0.285 0.000 2.535 84 Y HA 0.443 4.984 4.550 -0.015 0.000 0.349 84 Y C -1.129 175.034 175.900 0.438 0.000 0.992 84 Y CA -0.890 57.394 58.100 0.307 0.000 1.248 84 Y CB 0.236 38.880 38.460 0.307 0.000 1.124 84 Y HN 0.509 nan 8.280 nan 0.000 0.520 85 L N 5.091 126.367 121.223 0.087 0.000 2.260 85 L HA 0.417 4.748 4.340 -0.015 0.000 0.289 85 L C -0.136 176.746 176.870 0.020 0.000 1.057 85 L CA 0.236 55.178 54.840 0.171 0.000 0.811 85 L CB 1.111 43.239 42.059 0.115 0.000 1.184 85 L HN 0.555 nan 8.230 nan 0.000 0.429 86 S N 2.477 118.265 115.700 0.147 0.000 2.546 86 S HA 0.533 4.994 4.470 -0.015 0.000 0.274 86 S C 0.364 175.040 174.600 0.128 0.000 1.121 86 S CA -0.529 57.647 58.200 -0.041 0.000 0.887 86 S CB 1.119 64.039 63.200 -0.466 0.000 1.094 86 S HN 0.488 nan 8.310 nan 0.000 0.474 87 L N 2.612 123.947 121.223 0.187 0.000 2.591 87 L HA 0.426 4.757 4.340 -0.015 0.000 0.228 87 L C 0.250 177.313 176.870 0.321 0.000 1.133 87 L CA 0.871 55.895 54.840 0.307 0.000 0.880 87 L CB -0.003 42.260 42.059 0.340 0.000 1.033 87 L HN 0.634 nan 8.230 nan 0.000 0.450 88 E N -1.053 119.197 120.200 0.083 0.000 2.275 88 E HA 0.395 4.736 4.350 -0.015 0.000 0.270 88 E C -1.393 175.066 176.600 -0.235 0.000 0.882 88 E CA -0.419 56.014 56.400 0.056 0.000 0.758 88 E CB 1.803 31.521 29.700 0.029 0.000 1.195 88 E HN -0.152 nan 8.360 nan 0.000 0.419 89 F N 2.248 122.305 119.950 0.178 0.000 2.716 89 F HA 0.184 4.702 4.527 -0.015 0.000 0.354 89 F C -0.802 175.080 175.800 0.137 0.000 1.168 89 F CA -0.812 57.279 58.000 0.152 0.000 1.045 89 F CB 1.015 40.095 39.000 0.133 0.000 1.311 89 F HN 0.485 nan 8.300 nan 0.000 0.477 90 Y N 5.350 125.724 120.300 0.123 0.000 2.714 90 Y HA 0.245 4.786 4.550 -0.015 0.000 0.333 90 Y C 0.833 176.748 175.900 0.026 0.000 1.220 90 Y CA -1.105 57.015 58.100 0.034 0.000 1.513 90 Y CB 0.368 38.830 38.460 0.003 0.000 1.435 90 Y HN 0.561 nan 8.280 nan 0.000 0.489 91 M N 1.601 121.343 119.600 0.237 0.000 2.334 91 M HA 0.127 4.598 4.480 -0.015 0.000 0.266 91 M C 1.565 177.844 176.300 -0.034 0.000 1.082 91 M CA 1.083 56.423 55.300 0.066 0.000 1.141 91 M CB -1.194 31.416 32.600 0.016 0.000 1.380 91 M HN 0.707 nan 8.290 nan 0.000 0.440 92 G N 1.213 110.014 108.800 0.002 0.000 2.562 92 G HA2 -0.278 3.673 3.960 -0.015 0.000 0.250 92 G HA3 -0.278 3.673 3.960 -0.015 0.000 0.250 92 G C -0.231 174.624 174.900 -0.076 0.000 1.269 92 G CA -0.275 44.782 45.100 -0.071 0.000 0.919 92 G HN 0.437 nan 8.290 nan 0.000 0.574 93 R N -0.677 119.756 120.500 -0.112 0.000 2.531 93 R HA 0.571 4.902 4.340 -0.015 0.000 0.273 93 R C 1.091 177.262 176.300 -0.216 0.000 1.070 93 R CA 0.335 56.373 56.100 -0.103 0.000 1.112 93 R CB 0.742 30.990 30.300 -0.086 0.000 1.049 93 R HN 0.522 nan 8.270 nan 0.000 0.508 94 T N 1.183 115.547 114.554 -0.317 0.000 2.978 94 T HA -0.007 4.334 4.350 -0.015 0.000 0.248 94 T C 1.419 175.701 174.700 -0.696 0.000 1.018 94 T CA -0.142 61.551 62.100 -0.679 0.000 1.026 94 T CB 0.136 68.210 68.868 -1.324 0.000 1.032 94 T HN 0.317 nan 8.240 nan 0.000 0.485 95 L N 1.946 122.994 121.223 -0.291 0.000 1.970 95 L HA -0.039 4.292 4.340 -0.015 0.000 0.212 95 L C 2.467 179.302 176.870 -0.058 0.000 1.071 95 L CA 2.021 56.874 54.840 0.023 0.000 0.751 95 L CB -0.676 41.615 42.059 0.387 0.000 0.889 95 L HN 0.178 nan 8.230 nan 0.000 0.432 96 Q N -0.758 119.004 119.800 -0.064 0.000 2.084 96 Q HA -0.250 4.081 4.340 -0.015 0.000 0.202 96 Q C 2.238 178.161 176.000 -0.128 0.000 0.978 96 Q CA 1.817 57.575 55.803 -0.075 0.000 0.844 96 Q CB -0.323 28.368 28.738 -0.079 0.000 0.898 96 Q HN 0.704 nan 8.270 nan 0.000 0.426 97 N N -0.894 117.688 118.700 -0.197 0.000 2.061 97 N HA -0.168 4.563 4.740 -0.015 0.000 0.193 97 N C 1.442 176.838 175.510 -0.191 0.000 1.030 97 N CA 1.981 54.903 53.050 -0.214 0.000 0.856 97 N CB -0.012 38.310 38.487 -0.274 0.000 1.023 97 N HN 0.227 nan 8.380 nan 0.000 0.424 98 T N 1.445 115.849 114.554 -0.250 0.000 2.708 98 T HA -0.098 4.243 4.350 -0.015 0.000 0.266 98 T C 2.088 176.724 174.700 -0.106 0.000 1.037 98 T CA 1.296 63.274 62.100 -0.203 0.000 1.146 98 T CB -0.129 68.579 68.868 -0.266 0.000 0.865 98 T HN 0.282 nan 8.240 nan 0.000 0.435 99 M N 0.545 120.099 119.600 -0.077 0.000 2.108 99 M HA -0.101 4.370 4.480 -0.015 0.000 0.261 99 M C 2.491 178.758 176.300 -0.055 0.000 1.066 99 M CA 1.276 56.544 55.300 -0.054 0.000 1.107 99 M CB -0.685 31.897 32.600 -0.029 0.000 1.356 99 M HN 0.097 nan 8.290 nan 0.000 0.406 100 V N 0.909 120.795 119.914 -0.047 0.000 2.287 100 V HA -0.281 3.830 4.120 -0.015 0.000 0.248 100 V C 1.725 177.839 176.094 0.033 0.000 1.053 100 V CA 2.059 64.359 62.300 0.001 0.000 1.027 100 V CB -0.845 30.974 31.823 -0.006 0.000 0.646 100 V HN 0.478 nan 8.190 nan 0.000 0.447 101 N N -0.544 118.155 118.700 -0.002 0.000 2.457 101 N HA -0.015 4.716 4.740 -0.015 0.000 0.180 101 N C 1.055 176.477 175.510 -0.148 0.000 1.050 101 N CA 0.562 53.599 53.050 -0.022 0.000 0.906 101 N CB -0.026 38.450 38.487 -0.018 0.000 0.968 101 N HN 0.267 nan 8.380 nan 0.000 0.445 102 L N -0.248 120.906 121.223 -0.115 0.000 2.640 102 L HA 0.407 4.738 4.340 -0.015 0.000 0.230 102 L C 0.596 177.392 176.870 -0.122 0.000 1.123 102 L CA -0.218 54.553 54.840 -0.114 0.000 0.900 102 L CB -0.824 41.190 42.059 -0.076 0.000 1.146 102 L HN 0.107 nan 8.230 nan 0.000 0.484 103 A N -0.643 122.103 122.820 -0.124 0.000 2.869 103 A HA -0.210 4.101 4.320 -0.015 0.000 0.280 103 A C 1.065 178.601 177.584 -0.080 0.000 1.458 103 A CA 0.908 52.885 52.037 -0.100 0.000 0.776 103 A CB -1.949 16.978 19.000 -0.121 0.000 1.028 103 A HN 0.200 nan 8.150 nan 0.000 0.547 104 L N -0.750 120.423 121.223 -0.083 0.000 2.664 104 L HA 0.242 4.573 4.340 -0.015 0.000 0.233 104 L C 1.854 178.688 176.870 -0.061 0.000 1.113 104 L CA 1.548 56.331 54.840 -0.094 0.000 0.896 104 L CB -0.435 41.535 42.059 -0.148 0.000 1.163 104 L HN 0.639 nan 8.230 nan 0.000 0.497 105 E N -0.048 120.126 120.200 -0.044 0.000 2.038 105 E HA -0.246 4.095 4.350 -0.015 0.000 0.195 105 E C 1.594 178.179 176.600 -0.025 0.000 1.000 105 E CA 1.493 57.877 56.400 -0.028 0.000 0.803 105 E CB 0.276 29.962 29.700 -0.023 0.000 0.750 105 E HN 0.402 nan 8.360 nan 0.000 0.448 106 N N 0.109 118.792 118.700 -0.027 0.000 2.120 106 N HA -0.140 4.591 4.740 -0.015 0.000 0.188 106 N C 1.602 177.096 175.510 -0.027 0.000 1.024 106 N CA 1.259 54.292 53.050 -0.029 0.000 0.852 106 N CB -0.478 37.992 38.487 -0.028 0.000 1.003 106 N HN 0.221 nan 8.380 nan 0.000 0.424 107 A N 0.703 123.506 122.820 -0.028 0.000 1.865 107 A HA -0.191 4.120 4.320 -0.015 0.000 0.217 107 A C 2.710 180.283 177.584 -0.019 0.000 1.191 107 A CA 1.682 53.705 52.037 -0.024 0.000 0.623 107 A CB -1.166 17.814 19.000 -0.033 0.000 0.826 107 A HN 0.465 nan 8.150 nan 0.000 0.444 108 C N -0.847 118.440 119.300 -0.022 0.000 2.425 108 C HA -0.087 4.364 4.460 -0.015 0.000 0.277 108 C C 2.498 177.482 174.990 -0.010 0.000 1.280 108 C CA 1.090 60.102 59.018 -0.009 0.000 1.744 108 C CB -1.241 26.504 27.740 0.008 0.000 1.989 108 C HN 0.699 nan 8.230 nan 0.000 0.491 109 D N 0.692 121.088 120.400 -0.007 0.000 2.092 109 D HA -0.152 4.479 4.640 -0.015 0.000 0.193 109 D C 2.105 178.415 176.300 0.017 0.000 0.994 109 D CA 1.661 55.660 54.000 -0.001 0.000 0.828 109 D CB -0.311 40.479 40.800 -0.017 0.000 0.963 109 D HN 0.458 nan 8.370 nan 0.000 0.450 110 E N 0.386 120.588 120.200 0.003 0.000 2.023 110 E HA -0.114 4.226 4.350 -0.015 0.000 0.196 110 E C 1.926 178.559 176.600 0.054 0.000 1.003 110 E CA 1.857 58.276 56.400 0.031 0.000 0.809 110 E CB -0.723 28.979 29.700 0.004 0.000 0.755 110 E HN 0.224 nan 8.360 nan 0.000 0.449 111 A N -0.218 122.602 122.820 -0.000 0.000 1.892 111 A HA -0.246 4.065 4.320 -0.015 0.000 0.218 111 A C 2.499 180.007 177.584 -0.127 0.000 1.188 111 A CA 3.133 55.144 52.037 -0.044 0.000 0.631 111 A CB -1.506 17.471 19.000 -0.038 0.000 0.822 111 A HN 0.543 nan 8.150 nan 0.000 0.447 112 T N -3.822 110.647 114.554 -0.142 0.000 2.857 112 T HA -0.196 4.145 4.350 -0.015 0.000 0.266 112 T C 1.849 176.457 174.700 -0.152 0.000 1.048 112 T CA 1.462 63.413 62.100 -0.247 0.000 1.139 112 T CB -0.605 68.153 68.868 -0.185 0.000 0.874 112 T HN 0.460 nan 8.240 nan 0.000 0.455 113 Y N 2.191 122.406 120.300 -0.142 0.000 2.128 113 Y HA -0.161 4.381 4.550 -0.014 0.000 0.284 113 Y C 2.721 178.558 175.900 -0.106 0.000 1.154 113 Y CA 1.769 59.806 58.100 -0.106 0.000 1.149 113 Y CB -0.517 37.901 38.460 -0.070 0.000 0.976 113 Y HN 0.239 nan 8.280 nan 0.000 0.505 114 Q N -0.880 118.870 119.800 -0.083 0.000 2.170 114 Q HA -0.160 4.171 4.340 -0.015 0.000 0.203 114 Q C 1.770 177.651 176.000 -0.199 0.000 0.976 114 Q CA 1.175 56.892 55.803 -0.143 0.000 0.858 114 Q CB -0.172 28.549 28.738 -0.028 0.000 0.907 114 Q HN 0.353 nan 8.270 nan 0.000 0.433 115 L N -0.664 120.425 121.223 -0.224 0.000 2.622 115 L HA 0.044 4.375 4.340 -0.015 0.000 0.233 115 L C 1.201 177.905 176.870 -0.276 0.000 1.156 115 L CA 1.571 56.258 54.840 -0.254 0.000 0.866 115 L CB -0.736 41.087 42.059 -0.393 0.000 0.980 115 L HN 0.388 nan 8.230 nan 0.000 0.448 116 G N -0.561 108.053 108.800 -0.310 0.000 2.149 116 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.235 116 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.235 116 G C 0.088 174.831 174.900 -0.262 0.000 1.018 116 G CA 0.254 45.175 45.100 -0.298 0.000 0.728 116 G HN 0.297 nan 8.290 nan 0.000 0.508 117 L N -0.122 120.944 121.223 -0.261 0.000 2.354 117 L HA 0.573 4.904 4.340 -0.015 0.000 0.269 117 L C -0.520 176.303 176.870 -0.078 0.000 1.005 117 L CA -1.192 53.529 54.840 -0.199 0.000 0.819 117 L CB 1.844 43.726 42.059 -0.294 0.000 1.311 117 L HN 0.039 nan 8.230 nan 0.000 0.423 118 D N 2.385 122.772 120.400 -0.021 0.000 2.365 118 D HA 0.139 4.770 4.640 -0.015 0.000 0.237 118 D C 0.677 177.000 176.300 0.038 0.000 1.190 118 D CA -0.099 53.921 54.000 0.033 0.000 0.867 118 D CB 1.445 42.270 40.800 0.042 0.000 1.050 118 D HN 0.520 nan 8.370 nan 0.000 0.491 119 M N 3.204 122.828 119.600 0.040 0.000 2.213 119 M HA -0.157 4.314 4.480 -0.015 0.000 0.263 119 M C 1.378 177.716 176.300 0.064 0.000 1.062 119 M CA 1.515 56.847 55.300 0.054 0.000 1.105 119 M CB 0.217 32.842 32.600 0.042 0.000 1.385 119 M HN 0.403 nan 8.290 nan 0.000 0.417 120 E N -0.213 120.017 120.200 0.049 0.000 2.110 120 E HA -0.255 4.086 4.350 -0.015 0.000 0.193 120 E C 1.859 178.488 176.600 0.048 0.000 0.988 120 E CA 1.394 57.819 56.400 0.043 0.000 0.804 120 E CB -0.147 29.576 29.700 0.037 0.000 0.745 120 E HN 0.621 nan 8.360 nan 0.000 0.458 121 E N 0.433 120.666 120.200 0.054 0.000 2.106 121 E HA -0.197 4.144 4.350 -0.015 0.000 0.192 121 E C 1.942 178.580 176.600 0.063 0.000 0.984 121 E CA 0.569 57.002 56.400 0.055 0.000 0.806 121 E CB 0.171 29.905 29.700 0.056 0.000 0.750 121 E HN 0.085 nan 8.360 nan 0.000 0.458 122 L N 1.520 122.801 121.223 0.097 0.000 2.046 122 L HA -0.160 4.171 4.340 -0.015 0.000 0.208 122 L C 2.135 179.067 176.870 0.103 0.000 1.077 122 L CA 1.699 56.630 54.840 0.152 0.000 0.747 122 L CB -0.824 41.371 42.059 0.226 0.000 0.896 122 L HN 0.145 nan 8.230 nan 0.000 0.432 123 E N -0.718 119.533 120.200 0.085 0.000 2.118 123 E HA -0.214 4.127 4.350 -0.015 0.000 0.195 123 E C 1.887 178.451 176.600 -0.061 0.000 0.992 123 E CA 0.916 57.338 56.400 0.037 0.000 0.804 123 E CB -0.001 29.721 29.700 0.037 0.000 0.741 123 E HN 0.391 nan 8.360 nan 0.000 0.458 124 E N 0.152 120.329 120.200 -0.038 0.000 2.409 124 E HA -0.126 4.215 4.350 -0.015 0.000 0.198 124 E C 1.816 178.351 176.600 -0.107 0.000 1.024 124 E CA 0.601 56.976 56.400 -0.041 0.000 0.861 124 E CB 0.038 29.747 29.700 0.015 0.000 0.788 124 E HN 0.414 nan 8.360 nan 0.000 0.521 125 I N 0.626 121.069 120.570 -0.212 0.000 2.716 125 I HA -0.086 4.075 4.170 -0.015 0.000 0.259 125 I C 1.320 177.122 176.117 -0.525 0.000 1.172 125 I CA 0.152 61.258 61.300 -0.324 0.000 1.478 125 I CB 0.165 37.975 38.000 -0.316 0.000 1.104 125 I HN -0.045 nan 8.210 nan 0.000 0.439 126 E N 2.811 122.575 120.200 -0.728 0.000 2.417 126 E HA -0.049 4.292 4.350 -0.015 0.000 0.261 126 E C -0.252 176.246 176.600 -0.171 0.000 1.000 126 E CA -0.191 55.838 56.400 -0.618 0.000 0.919 126 E CB 0.584 30.048 29.700 -0.395 0.000 0.955 126 E HN 0.092 nan 8.360 nan 0.000 0.455 127 E N 3.477 123.672 120.200 -0.007 0.000 2.373 127 E HA 0.045 4.386 4.350 -0.015 0.000 0.267 127 E C -0.771 175.925 176.600 0.160 0.000 1.032 127 E CA -0.169 56.313 56.400 0.137 0.000 0.889 127 E CB 0.616 30.491 29.700 0.292 0.000 0.984 127 E HN 0.481 nan 8.360 nan 0.000 0.425 128 D N 0.843 121.310 120.400 0.112 0.000 2.458 128 D HA 0.116 4.747 4.640 -0.015 0.000 0.243 128 D C -0.279 176.046 176.300 0.042 0.000 1.146 128 D CA 0.258 54.301 54.000 0.072 0.000 0.877 128 D CB 0.508 41.344 40.800 0.060 0.000 1.176 128 D HN 0.378 nan 8.370 nan 0.000 0.461 129 A N 2.742 125.537 122.820 -0.043 0.000 2.544 129 A HA 0.441 4.752 4.320 -0.015 0.000 0.301 129 A C 1.080 178.487 177.584 -0.294 0.000 1.368 129 A CA -0.268 51.513 52.037 -0.427 0.000 1.045 129 A CB -0.273 18.557 19.000 -0.282 0.000 1.129 129 A HN 0.553 nan 8.150 nan 0.000 0.540 130 G N 2.289 110.843 108.800 -0.410 0.000 3.943 130 G HA2 0.426 4.377 3.960 -0.015 0.000 0.275 130 G HA3 0.426 4.377 3.960 -0.015 0.000 0.275 130 G C 0.278 174.878 174.900 -0.502 0.000 1.234 130 G CA -0.327 44.577 45.100 -0.326 0.000 1.522 130 G HN 0.696 nan 8.290 nan 0.000 0.636 131 L N 1.353 122.361 121.223 -0.359 0.000 2.888 131 L HA 0.397 4.728 4.340 -0.015 0.000 0.237 131 L C 0.997 177.792 176.870 -0.124 0.000 1.288 131 L CA -0.220 54.538 54.840 -0.137 0.000 1.110 131 L CB -0.301 41.811 42.059 0.089 0.000 1.441 131 L HN 0.328 nan 8.230 nan 0.000 0.474 132 G N -1.247 107.255 108.800 -0.496 0.000 2.623 132 G HA2 0.198 4.148 3.960 -0.015 0.000 0.290 132 G HA3 0.198 4.148 3.960 -0.015 0.000 0.290 132 G C -0.172 174.347 174.900 -0.634 0.000 1.437 132 G CA -0.439 44.406 45.100 -0.425 0.000 0.798 132 G HN -0.094 nan 8.290 nan 0.000 0.488 133 N N -0.852 117.698 118.700 -0.250 0.000 2.436 133 N HA 0.213 4.944 4.740 -0.015 0.000 0.178 133 N C 1.145 176.697 175.510 0.070 0.000 1.026 133 N CA 1.322 54.298 53.050 -0.125 0.000 0.880 133 N CB 1.176 39.669 38.487 0.010 0.000 1.061 133 N HN 0.821 nan 8.380 nan 0.000 0.434 134 G N -0.806 108.109 108.800 0.193 0.000 2.818 134 G HA2 0.223 4.174 3.960 -0.015 0.000 0.109 134 G HA3 0.223 4.174 3.960 -0.015 0.000 0.109 134 G C 0.668 175.680 174.900 0.186 0.000 1.206 134 G CA 0.260 45.512 45.100 0.253 0.000 1.243 134 G HN 0.159 nan 8.290 nan 0.000 0.609 135 G N 0.320 109.178 108.800 0.096 0.000 2.418 135 G HA2 -0.009 3.942 3.960 -0.015 0.000 0.217 135 G HA3 -0.009 3.942 3.960 -0.015 0.000 0.217 135 G C 1.852 176.735 174.900 -0.027 0.000 1.158 135 G CA 1.398 46.514 45.100 0.026 0.000 0.771 135 G HN 0.770 nan 8.290 nan 0.000 0.545 136 L N 0.545 121.732 121.223 -0.060 0.000 2.056 136 L HA 0.126 4.457 4.340 -0.015 0.000 0.207 136 L C 2.745 179.533 176.870 -0.136 0.000 1.078 136 L CA 1.854 56.564 54.840 -0.217 0.000 0.749 136 L CB -0.551 41.328 42.059 -0.300 0.000 0.901 136 L HN 0.219 nan 8.230 nan 0.000 0.433 137 G N -0.471 108.320 108.800 -0.014 0.000 2.408 137 G HA2 -0.258 3.693 3.960 -0.015 0.000 0.217 137 G HA3 -0.258 3.693 3.960 -0.015 0.000 0.217 137 G C 1.689 176.657 174.900 0.114 0.000 1.150 137 G CA 0.338 45.463 45.100 0.042 0.000 0.776 137 G HN 0.203 nan 8.290 nan 0.000 0.542 138 R N 0.132 120.712 120.500 0.132 0.000 2.115 138 R HA 0.110 4.440 4.340 -0.015 0.000 0.226 138 R C 2.429 178.725 176.300 -0.007 0.000 1.100 138 R CA 0.676 56.823 56.100 0.080 0.000 0.980 138 R CB -1.007 29.298 30.300 0.009 0.000 0.875 138 R HN 0.387 nan 8.270 nan 0.000 0.445 139 L N 0.649 121.797 121.223 -0.124 0.000 2.012 139 L HA -0.078 4.253 4.340 -0.015 0.000 0.210 139 L C 2.201 178.776 176.870 -0.491 0.000 1.073 139 L CA 2.244 56.862 54.840 -0.369 0.000 0.748 139 L CB -0.838 40.962 42.059 -0.430 0.000 0.891 139 L HN 0.198 nan 8.230 nan 0.000 0.431 140 A N -0.665 122.010 122.820 -0.242 0.000 1.908 140 A HA -0.187 4.124 4.320 -0.015 0.000 0.218 140 A C 2.427 180.079 177.584 0.113 0.000 1.181 140 A CA 2.029 54.009 52.037 -0.094 0.000 0.627 140 A CB -1.154 17.759 19.000 -0.145 0.000 0.818 140 A HN 0.583 nan 8.150 nan 0.000 0.445 141 A N -1.144 121.771 122.820 0.157 0.000 1.873 141 A HA -0.130 4.181 4.320 -0.015 0.000 0.215 141 A C 2.319 179.976 177.584 0.121 0.000 1.186 141 A CA 1.578 53.727 52.037 0.186 0.000 0.616 141 A CB -1.257 17.839 19.000 0.160 0.000 0.823 141 A HN 0.597 nan 8.150 nan 0.000 0.442 142 C N -1.408 117.964 119.300 0.120 0.000 2.429 142 C HA -0.074 4.377 4.460 -0.015 0.000 0.277 142 C C 2.437 177.591 174.990 0.273 0.000 1.262 142 C CA 0.655 59.785 59.018 0.186 0.000 1.733 142 C CB -1.627 26.247 27.740 0.222 0.000 2.010 142 C HN 0.599 nan 8.230 nan 0.000 0.483 143 F N 1.204 121.136 119.950 -0.031 0.000 2.134 143 F HA -0.084 4.434 4.527 -0.016 0.000 0.299 143 F C 2.263 177.994 175.800 -0.115 0.000 1.097 143 F CA 1.054 58.982 58.000 -0.121 0.000 1.264 143 F CB -1.385 37.405 39.000 -0.350 0.000 1.001 143 F HN 0.193 nan 8.300 nan 0.000 0.479 144 L N -0.431 120.855 121.223 0.105 0.000 2.042 144 L HA -0.252 4.079 4.340 -0.015 0.000 0.210 144 L C 2.405 179.278 176.870 0.004 0.000 1.076 144 L CA 1.927 56.783 54.840 0.027 0.000 0.749 144 L CB -0.768 41.308 42.059 0.028 0.000 0.893 144 L HN 0.187 nan 8.230 nan 0.000 0.432 145 D N -0.226 120.188 120.400 0.024 0.000 2.117 145 D HA -0.166 4.465 4.640 -0.015 0.000 0.197 145 D C 2.066 178.377 176.300 0.019 0.000 0.987 145 D CA 1.602 55.603 54.000 0.002 0.000 0.829 145 D CB 0.335 41.134 40.800 -0.002 0.000 0.961 145 D HN 0.225 nan 8.370 nan 0.000 0.460 146 S N -0.068 115.661 115.700 0.049 0.000 2.383 146 S HA -0.074 4.387 4.470 -0.015 0.000 0.227 146 S C 2.123 176.733 174.600 0.016 0.000 1.026 146 S CA 0.762 58.984 58.200 0.037 0.000 0.981 146 S CB -0.097 63.132 63.200 0.048 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.984 120.586 119.600 0.002 0.000 2.175 147 M HA -0.070 4.400 4.480 -0.015 0.000 0.264 147 M C 2.441 178.737 176.300 -0.007 0.000 1.063 147 M CA 1.352 56.649 55.300 -0.005 0.000 1.119 147 M CB -0.503 32.072 32.600 -0.041 0.000 1.377 147 M HN 0.386 nan 8.290 nan 0.000 0.415 148 A N -0.158 122.654 122.820 -0.014 0.000 1.897 148 A HA -0.108 4.203 4.320 -0.015 0.000 0.215 148 A C 2.185 179.776 177.584 0.012 0.000 1.181 148 A CA 1.962 53.992 52.037 -0.010 0.000 0.620 148 A CB -1.041 17.935 19.000 -0.040 0.000 0.821 148 A HN 0.408 nan 8.150 nan 0.000 0.443 149 T N 0.265 114.833 114.554 0.023 0.000 2.867 149 T HA 0.011 4.352 4.350 -0.015 0.000 0.268 149 T C 1.320 176.047 174.700 0.044 0.000 1.057 149 T CA 1.062 63.191 62.100 0.049 0.000 1.136 149 T CB -0.250 68.658 68.868 0.066 0.000 0.874 149 T HN 0.325 nan 8.240 nan 0.000 0.466 150 L N 0.486 121.732 121.223 0.037 0.000 2.653 150 L HA 0.301 4.632 4.340 -0.015 0.000 0.231 150 L C 1.606 178.504 176.870 0.048 0.000 1.153 150 L CA -0.089 54.776 54.840 0.041 0.000 0.933 150 L CB -0.373 41.711 42.059 0.042 0.000 1.175 150 L HN 0.401 nan 8.230 nan 0.000 0.473 151 G N 1.108 109.938 108.800 0.049 0.000 2.249 151 G HA2 -0.287 3.664 3.960 -0.015 0.000 0.273 151 G HA3 -0.287 3.664 3.960 -0.015 0.000 0.273 151 G C 0.111 175.064 174.900 0.088 0.000 1.036 151 G CA 0.080 45.226 45.100 0.076 0.000 0.824 151 G HN 0.284 nan 8.290 nan 0.000 0.504 152 L N -0.189 121.055 121.223 0.035 0.000 2.357 152 L HA 0.619 4.950 4.340 -0.015 0.000 0.273 152 L C 1.196 177.952 176.870 -0.190 0.000 1.080 152 L CA -0.389 54.426 54.840 -0.042 0.000 0.803 152 L CB 1.594 43.635 42.059 -0.031 0.000 1.174 152 L HN 0.257 nan 8.230 nan 0.000 0.443 153 A N 2.953 125.523 122.820 -0.417 0.000 2.990 153 A HA 0.575 4.885 4.320 -0.015 0.000 0.282 153 A C 0.191 177.407 177.584 -0.613 0.000 1.688 153 A CA -0.153 51.325 52.037 -0.933 0.000 1.391 153 A CB -0.635 17.715 19.000 -1.083 0.000 1.112 153 A HN 0.681 nan 8.150 nan 0.000 0.588 154 A N 1.617 124.116 122.820 -0.534 0.000 2.350 154 A HA 0.788 5.099 4.320 -0.015 0.000 0.324 154 A C -1.131 176.180 177.584 -0.457 0.000 1.118 154 A CA -0.460 51.344 52.037 -0.388 0.000 0.783 154 A CB 0.863 19.707 19.000 -0.260 0.000 1.236 154 A HN 0.613 nan 8.150 nan 0.000 0.457 155 Y N 0.529 120.755 120.300 -0.125 0.000 2.361 155 Y HA 0.530 5.071 4.550 -0.015 0.000 0.337 155 Y C 0.879 176.873 175.900 0.157 0.000 0.965 155 Y CA -0.509 57.601 58.100 0.018 0.000 1.091 155 Y CB 2.396 40.973 38.460 0.195 0.000 1.182 155 Y HN 0.847 nan 8.280 nan 0.000 0.450 156 G N 2.308 111.196 108.800 0.147 0.000 2.353 156 G HA2 0.414 4.364 3.960 -0.015 0.000 0.284 156 G HA3 0.414 4.364 3.960 -0.015 0.000 0.284 156 G C -1.686 173.246 174.900 0.053 0.000 1.172 156 G CA -0.165 45.056 45.100 0.202 0.000 0.854 156 G HN 0.537 nan 8.290 nan 0.000 0.485 157 Y N 0.913 121.452 120.300 0.400 0.000 2.391 157 Y HA 0.624 5.165 4.550 -0.015 0.000 0.341 157 Y C 0.739 176.956 175.900 0.529 0.000 0.965 157 Y CA 0.273 58.575 58.100 0.337 0.000 1.067 157 Y CB 2.697 41.375 38.460 0.362 0.000 1.199 157 Y HN 0.900 nan 8.280 nan 0.000 0.450 158 G N 2.294 111.426 108.800 0.555 0.000 2.677 158 G HA2 0.560 4.510 3.960 -0.015 0.000 0.283 158 G HA3 0.560 4.510 3.960 -0.015 0.000 0.283 158 G C -1.819 173.320 174.900 0.398 0.000 1.221 158 G CA -0.797 44.648 45.100 0.576 0.000 0.851 158 G HN 0.426 nan 8.290 nan 0.000 0.504 159 I N 0.566 121.258 120.570 0.205 0.000 2.474 159 I HA 0.442 4.603 4.170 -0.015 0.000 0.294 159 I C 0.256 176.274 176.117 -0.166 0.000 1.005 159 I CA -0.734 60.572 61.300 0.010 0.000 1.113 159 I CB 2.266 40.088 38.000 -0.297 0.000 1.289 159 I HN 0.369 nan 8.210 nan 0.000 0.436 160 R N 6.021 126.529 120.500 0.013 0.000 2.419 160 R HA 0.235 4.566 4.340 -0.015 0.000 0.305 160 R C -1.313 175.038 176.300 0.084 0.000 1.242 160 R CA -0.406 55.734 56.100 0.068 0.000 1.105 160 R CB -0.017 30.296 30.300 0.021 0.000 1.116 160 R HN 0.391 nan 8.270 nan 0.000 0.523 161 Y N 1.640 122.107 120.300 0.278 0.000 2.442 161 Y HA -0.060 4.481 4.550 -0.015 0.000 0.330 161 Y C 1.574 177.667 175.900 0.321 0.000 1.129 161 Y CA -0.031 58.224 58.100 0.258 0.000 1.365 161 Y CB 0.916 39.502 38.460 0.210 0.000 1.233 161 Y HN 0.605 nan 8.280 nan 0.000 0.529 162 E N 2.234 122.630 120.200 0.327 0.000 2.106 162 E HA -0.096 4.245 4.350 -0.015 0.000 0.192 162 E C -0.723 175.779 176.600 -0.163 0.000 0.984 162 E CA 0.833 57.235 56.400 0.003 0.000 0.806 162 E CB 0.149 29.782 29.700 -0.111 0.000 0.750 162 E HN 0.503 nan 8.360 nan 0.000 0.458 163 F N -0.234 119.932 119.950 0.361 0.000 2.477 163 F HA 0.449 4.967 4.527 -0.015 0.000 0.335 163 F C 0.779 176.666 175.800 0.145 0.000 1.130 163 F CA -0.782 57.385 58.000 0.278 0.000 0.948 163 F CB 1.874 40.967 39.000 0.154 0.000 1.154 163 F HN -0.090 nan 8.300 nan 0.000 0.439 164 G N 1.890 110.793 108.800 0.173 0.000 2.509 164 G HA2 0.347 4.298 3.960 -0.015 0.000 0.269 164 G HA3 0.347 4.298 3.960 -0.015 0.000 0.269 164 G C -0.498 174.345 174.900 -0.093 0.000 1.416 164 G CA -0.696 44.338 45.100 -0.110 0.000 1.052 164 G HN 0.549 nan 8.290 nan 0.000 0.542 165 I N 0.833 121.256 120.570 -0.244 0.000 2.775 165 I HA 0.170 4.330 4.170 -0.015 0.000 0.290 165 I C 0.581 176.586 176.117 -0.186 0.000 1.203 165 I CA -1.093 60.033 61.300 -0.290 0.000 1.433 165 I CB -0.357 37.360 38.000 -0.471 0.000 1.354 165 I HN 0.330 nan 8.210 nan 0.000 0.579 166 F N 6.166 126.123 119.950 0.012 0.000 2.628 166 F HA 0.223 4.741 4.527 -0.015 0.000 0.362 166 F C 0.574 176.423 175.800 0.082 0.000 1.148 166 F CA -0.602 57.430 58.000 0.054 0.000 1.352 166 F CB -0.415 38.606 39.000 0.035 0.000 1.081 166 F HN 0.426 nan 8.300 nan 0.000 0.605 167 N N 2.492 121.371 118.700 0.298 0.000 2.470 167 N HA 0.024 4.755 4.740 -0.015 0.000 0.268 167 N C -0.650 175.103 175.510 0.405 0.000 1.136 167 N CA -0.198 53.007 53.050 0.257 0.000 0.961 167 N CB 1.025 39.646 38.487 0.224 0.000 1.067 167 N HN 0.763 nan 8.380 nan 0.000 0.468 168 Q N 2.480 122.496 119.800 0.361 0.000 2.274 168 Q HA 0.157 4.487 4.340 -0.015 0.000 0.256 168 Q C -0.902 175.267 176.000 0.282 0.000 0.927 168 Q CA -0.314 55.730 55.803 0.403 0.000 0.939 168 Q CB 0.676 29.659 28.738 0.409 0.000 1.201 168 Q HN 0.226 nan 8.270 nan 0.000 0.426 169 K N 4.049 124.589 120.400 0.233 0.000 2.259 169 K HA 0.479 4.790 4.320 -0.015 0.000 0.249 169 K C -0.711 175.986 176.600 0.162 0.000 0.942 169 K CA -0.902 55.498 56.287 0.188 0.000 0.816 169 K CB 1.590 34.181 32.500 0.153 0.000 1.155 169 K HN 0.622 nan 8.250 nan 0.000 0.428 170 I N 2.460 123.116 120.570 0.144 0.000 2.354 170 I HA 0.202 4.363 4.170 -0.015 0.000 0.286 170 I C -0.346 175.827 176.117 0.094 0.000 1.007 170 I CA -0.695 60.661 61.300 0.093 0.000 1.167 170 I CB 0.626 38.661 38.000 0.059 0.000 1.320 170 I HN 0.393 nan 8.210 nan 0.000 0.458 171 C N 4.060 123.429 119.300 0.115 0.000 2.301 171 C HA 0.597 5.047 4.460 -0.015 0.000 0.323 171 C C 1.199 176.293 174.990 0.173 0.000 1.265 171 C CA -0.506 58.586 59.018 0.124 0.000 1.503 171 C CB 0.439 28.248 27.740 0.114 0.000 2.195 171 C HN 1.083 nan 8.230 nan 0.000 0.477 172 G N 2.581 111.451 108.800 0.117 0.000 2.283 172 G HA2 0.121 4.072 3.960 -0.015 0.000 0.280 172 G HA3 0.121 4.072 3.960 -0.015 0.000 0.280 172 G C 1.098 175.992 174.900 -0.010 0.000 1.029 172 G CA 0.925 46.093 45.100 0.114 0.000 0.840 172 G HN 2.351 nan 8.290 nan 0.000 0.505 173 G N -2.771 105.976 108.800 -0.089 0.000 2.205 173 G HA2 -0.311 3.639 3.960 -0.015 0.000 0.261 173 G HA3 -0.311 3.639 3.960 -0.015 0.000 0.261 173 G C 0.412 175.067 174.900 -0.408 0.000 0.980 173 G CA 0.685 45.612 45.100 -0.288 0.000 0.632 173 G HN 1.196 nan 8.290 nan 0.000 0.533 174 W N 1.060 122.308 121.300 -0.088 0.000 2.438 174 W HA 0.637 5.288 4.660 -0.015 0.000 0.324 174 W C 0.705 177.171 176.519 -0.089 0.000 1.119 174 W CA -0.869 56.419 57.345 -0.096 0.000 1.221 174 W CB 0.838 30.259 29.460 -0.065 0.000 1.253 174 W HN 0.255 nan 8.180 nan 0.000 0.555 175 Q N 3.541 123.436 119.800 0.159 0.000 2.289 175 Q HA 0.149 4.480 4.340 -0.015 0.000 0.273 175 Q C -0.561 175.495 176.000 0.093 0.000 1.029 175 Q CA 0.273 56.139 55.803 0.105 0.000 0.896 175 Q CB 0.489 29.281 28.738 0.089 0.000 1.182 175 Q HN 0.314 nan 8.270 nan 0.000 0.385 176 M N 3.348 122.998 119.600 0.084 0.000 2.383 176 M HA 0.371 4.842 4.480 -0.015 0.000 0.325 176 M C -1.051 175.258 176.300 0.017 0.000 1.092 176 M CA -0.709 54.608 55.300 0.028 0.000 0.961 176 M CB 1.719 34.349 32.600 0.050 0.000 1.672 176 M HN 0.580 nan 8.290 nan 0.000 0.438 177 E N 1.947 122.082 120.200 -0.108 0.000 2.216 177 E HA 0.447 4.788 4.350 -0.015 0.000 0.279 177 E C -0.618 175.980 176.600 -0.003 0.000 0.997 177 E CA -0.513 55.795 56.400 -0.153 0.000 0.817 177 E CB 1.333 30.661 29.700 -0.619 0.000 1.096 177 E HN 0.509 nan 8.360 nan 0.000 0.393 178 E N 0.846 121.125 120.200 0.132 0.000 2.317 178 E HA 0.713 5.054 4.350 -0.015 0.000 0.270 178 E C -0.998 175.705 176.600 0.171 0.000 0.885 178 E CA -1.586 54.881 56.400 0.113 0.000 0.760 178 E CB 1.440 31.207 29.700 0.112 0.000 1.227 178 E HN 0.446 nan 8.360 nan 0.000 0.434 179 A N 2.045 124.928 122.820 0.105 0.000 2.567 179 A HA 0.003 4.314 4.320 -0.015 0.000 0.240 179 A C -0.088 177.694 177.584 0.330 0.000 1.053 179 A CA 0.336 52.457 52.037 0.141 0.000 0.755 179 A CB -0.173 18.784 19.000 -0.071 0.000 0.978 179 A HN 0.686 nan 8.150 nan 0.000 0.507 180 D N 1.841 122.501 120.400 0.433 0.000 2.494 180 D HA 0.202 4.833 4.640 -0.015 0.000 0.217 180 D C -0.437 176.171 176.300 0.512 0.000 1.153 180 D CA -0.168 54.070 54.000 0.396 0.000 0.954 180 D CB 0.391 41.350 40.800 0.266 0.000 1.034 180 D HN 0.377 nan 8.370 nan 0.000 0.518 181 D N 3.981 124.634 120.400 0.423 0.000 2.845 181 D HA -0.010 4.621 4.640 -0.015 0.000 0.235 181 D C 1.126 177.510 176.300 0.140 0.000 1.158 181 D CA -0.574 53.552 54.000 0.211 0.000 0.990 181 D CB -0.184 40.769 40.800 0.256 0.000 1.094 181 D HN 0.566 nan 8.370 nan 0.000 0.486 182 W N 1.582 122.878 121.300 -0.007 0.000 2.525 182 W HA -0.040 4.611 4.660 -0.015 0.000 0.259 182 W C 0.177 176.735 176.519 0.064 0.000 1.253 182 W CA 0.124 57.506 57.345 0.061 0.000 1.262 182 W CB -0.738 28.764 29.460 0.071 0.000 1.122 182 W HN 0.166 nan 8.180 nan 0.000 0.607 183 L N 1.153 121.971 121.223 -0.675 0.000 2.592 183 L HA 0.146 4.476 4.340 -0.015 0.000 0.227 183 L C 2.828 179.508 176.870 -0.315 0.000 1.127 183 L CA 0.121 54.546 54.840 -0.691 0.000 0.884 183 L CB -0.639 40.906 42.059 -0.857 0.000 1.065 183 L HN -0.094 nan 8.230 nan 0.000 0.457 184 R N 0.727 121.087 120.500 -0.234 0.000 2.119 184 R HA -0.238 4.093 4.340 -0.015 0.000 0.246 184 R C 1.444 177.553 176.300 -0.318 0.000 1.146 184 R CA 2.097 58.020 56.100 -0.294 0.000 0.962 184 R CB -0.293 29.786 30.300 -0.368 0.000 0.863 184 R HN 0.315 nan 8.270 nan 0.000 0.442 185 Y N -0.246 120.069 120.300 0.025 0.000 2.466 185 Y HA 0.323 4.864 4.550 -0.015 0.000 0.272 185 Y C 0.886 176.780 175.900 -0.010 0.000 1.169 185 Y CA 0.530 58.669 58.100 0.066 0.000 1.285 185 Y CB 0.634 39.267 38.460 0.287 0.000 1.078 185 Y HN 0.439 nan 8.280 nan 0.000 0.523 186 G N 1.373 110.209 108.800 0.060 0.000 2.719 186 G HA2 -0.233 3.717 3.960 -0.015 0.000 0.686 186 G HA3 -0.233 3.717 3.960 -0.015 0.000 0.686 186 G C -1.202 173.759 174.900 0.102 0.000 1.201 186 G CA -0.891 44.202 45.100 -0.011 0.000 0.768 186 G HN 0.257 nan 8.290 nan 0.000 0.629 187 N N 2.278 120.977 118.700 -0.001 0.000 2.457 187 N HA 0.564 5.295 4.740 -0.015 0.000 0.250 187 N C -0.394 175.130 175.510 0.023 0.000 0.982 187 N CA -2.185 50.901 53.050 0.059 0.000 0.941 187 N CB 1.706 40.153 38.487 -0.067 0.000 1.120 187 N HN 0.241 nan 8.380 nan 0.000 0.505 188 P HA -0.004 nan 4.420 nan 0.000 0.230 188 P C 0.298 177.244 177.300 -0.589 0.000 1.158 188 P CA 0.824 63.635 63.100 -0.481 0.000 0.769 188 P CB 0.012 31.238 31.700 -0.789 0.000 0.807 189 W N 1.672 122.998 121.300 0.044 0.000 3.290 189 W HA 0.141 4.792 4.660 -0.015 0.000 0.287 189 W C 0.851 177.416 176.519 0.076 0.000 1.288 189 W CA -0.529 56.833 57.345 0.029 0.000 1.725 189 W CB 0.127 29.613 29.460 0.043 0.000 1.103 189 W HN 0.050 nan 8.180 nan 0.000 0.670 190 E N 0.820 121.172 120.200 0.253 0.000 2.227 190 E HA 0.524 4.865 4.350 -0.015 0.000 0.268 190 E C -0.918 175.840 176.600 0.264 0.000 0.907 190 E CA -1.195 55.382 56.400 0.295 0.000 0.786 190 E CB 1.871 31.757 29.700 0.310 0.000 1.191 190 E HN -0.333 nan 8.360 nan 0.000 0.411 191 K N 1.724 122.296 120.400 0.286 0.000 2.483 191 K HA 0.451 4.762 4.320 -0.015 0.000 0.256 191 K C -1.053 175.561 176.600 0.024 0.000 0.961 191 K CA -0.535 55.842 56.287 0.150 0.000 0.873 191 K CB 1.508 34.077 32.500 0.116 0.000 1.107 191 K HN 0.689 nan 8.250 nan 0.000 0.432 192 A N 4.225 126.971 122.820 -0.125 0.000 2.540 192 A HA 0.289 4.600 4.320 -0.015 0.000 0.239 192 A C -0.249 177.162 177.584 -0.287 0.000 1.061 192 A CA 0.035 51.745 52.037 -0.544 0.000 0.758 192 A CB 0.176 18.851 19.000 -0.542 0.000 0.991 192 A HN 0.634 nan 8.150 nan 0.000 0.502 193 R N 3.227 123.563 120.500 -0.274 0.000 2.868 193 R HA 0.221 4.552 4.340 -0.015 0.000 0.289 193 R C -2.314 173.964 176.300 -0.037 0.000 1.443 193 R CA -1.934 54.130 56.100 -0.060 0.000 1.651 193 R CB 0.705 31.076 30.300 0.118 0.000 1.242 193 R HN 0.591 nan 8.270 nan 0.000 0.621 194 P HA -0.157 nan 4.420 nan 0.000 0.222 194 P C 0.800 178.059 177.300 -0.069 0.000 1.147 194 P CA 1.032 64.092 63.100 -0.067 0.000 0.790 194 P CB 0.415 32.068 31.700 -0.078 0.000 0.780 195 E N -0.463 119.625 120.200 -0.187 0.000 2.478 195 E HA -0.099 4.242 4.350 -0.015 0.000 0.198 195 E C 0.515 176.887 176.600 -0.381 0.000 1.046 195 E CA 0.613 56.817 56.400 -0.328 0.000 0.870 195 E CB -0.741 28.650 29.700 -0.516 0.000 0.818 195 E HN 0.261 nan 8.360 nan 0.000 0.527 196 F N 1.758 121.726 119.950 0.030 0.000 2.684 196 F HA 0.245 4.763 4.527 -0.015 0.000 0.298 196 F C 0.389 176.293 175.800 0.174 0.000 1.120 196 F CA -0.415 57.639 58.000 0.089 0.000 1.332 196 F CB 0.331 39.378 39.000 0.078 0.000 0.986 196 F HN -0.281 nan 8.300 nan 0.000 0.524 197 T N 2.978 117.679 114.554 0.245 0.000 2.928 197 T HA 0.288 4.629 4.350 -0.015 0.000 0.305 197 T C -0.286 174.520 174.700 0.177 0.000 1.035 197 T CA 0.349 62.589 62.100 0.233 0.000 1.145 197 T CB 0.739 69.691 68.868 0.140 0.000 0.963 197 T HN -0.171 nan 8.240 nan 0.000 0.545 198 L N 5.409 126.711 121.223 0.132 0.000 2.388 198 L HA 0.563 4.893 4.340 -0.015 0.000 0.264 198 L C -2.354 174.487 176.870 -0.049 0.000 0.998 198 L CA -2.688 52.159 54.840 0.012 0.000 0.817 198 L CB 2.030 44.024 42.059 -0.108 0.000 1.338 198 L HN 0.375 nan 8.230 nan 0.000 0.414 199 P HA 0.388 nan 4.420 nan 0.000 0.290 199 P C -1.083 176.108 177.300 -0.182 0.000 1.276 199 P CA -0.408 62.621 63.100 -0.117 0.000 0.808 199 P CB 1.509 33.132 31.700 -0.128 0.000 0.966 200 V N 4.172 123.965 119.914 -0.202 0.000 2.555 200 V HA 0.320 4.431 4.120 -0.015 0.000 0.302 200 V C 0.198 176.091 176.094 -0.335 0.000 1.038 200 V CA -0.601 61.565 62.300 -0.224 0.000 0.887 200 V CB 1.235 32.971 31.823 -0.145 0.000 0.991 200 V HN 0.589 nan 8.190 nan 0.000 0.434 201 H N 3.969 122.869 119.070 -0.283 0.000 2.463 201 H HA 0.586 5.133 4.556 -0.015 0.000 0.332 201 H C -1.270 173.766 175.328 -0.486 0.000 1.127 201 H CA -0.116 55.690 56.048 -0.403 0.000 1.238 201 H CB 1.818 31.083 29.762 -0.828 0.000 1.478 201 H HN 0.471 nan 8.280 nan 0.000 0.499 202 F N 0.553 120.581 119.950 0.131 0.000 2.603 202 F HA 0.204 4.722 4.527 -0.015 0.000 0.317 202 F C -0.226 175.705 175.800 0.217 0.000 1.066 202 F CA -0.524 57.549 58.000 0.122 0.000 0.941 202 F CB 1.088 40.051 39.000 -0.062 0.000 1.291 202 F HN 0.564 nan 8.300 nan 0.000 0.472 203 Y N 0.229 120.844 120.300 0.525 0.000 2.904 203 Y HA -0.024 4.517 4.550 -0.015 0.000 0.466 203 Y C 1.366 177.541 175.900 0.459 0.000 1.202 203 Y CA 0.637 58.963 58.100 0.377 0.000 2.492 203 Y CB -1.925 36.687 38.460 0.254 0.000 1.237 203 Y HN 1.266 nan 8.280 nan 0.000 0.633 204 G N 0.700 109.796 108.800 0.495 0.000 2.598 204 G HA2 0.095 4.045 3.960 -0.015 0.000 0.244 204 G HA3 0.095 4.045 3.960 -0.015 0.000 0.244 204 G C -0.544 174.583 174.900 0.379 0.000 1.302 204 G CA 0.982 46.293 45.100 0.353 0.000 0.903 204 G HN 1.376 nan 8.290 nan 0.000 0.575 205 R N -2.569 118.150 120.500 0.365 0.000 2.734 205 R HA 0.689 5.019 4.340 -0.015 0.000 0.271 205 R C -1.369 175.078 176.300 0.245 0.000 1.021 205 R CA -0.980 55.272 56.100 0.254 0.000 0.893 205 R CB 1.313 31.707 30.300 0.157 0.000 1.244 205 R HN 0.892 nan 8.270 nan 0.000 0.464 206 V N 1.115 121.086 119.914 0.095 0.000 2.394 206 V HA 0.319 4.429 4.120 -0.015 0.000 0.282 206 V C -0.143 175.899 176.094 -0.085 0.000 1.031 206 V CA -0.537 61.743 62.300 -0.034 0.000 0.881 206 V CB 1.242 32.965 31.823 -0.168 0.000 0.982 206 V HN 0.679 nan 8.190 nan 0.000 0.451 207 E N 3.445 123.582 120.200 -0.105 0.000 2.156 207 E HA 0.376 4.717 4.350 -0.015 0.000 0.279 207 E C -0.823 175.650 176.600 -0.210 0.000 0.965 207 E CA -0.635 55.716 56.400 -0.082 0.000 0.789 207 E CB 0.917 30.611 29.700 -0.009 0.000 1.098 207 E HN 0.667 nan 8.360 nan 0.000 0.397 208 H N 2.330 121.417 119.070 0.028 0.000 2.552 208 H HA 0.176 4.723 4.556 -0.015 0.000 0.311 208 H C 0.323 175.662 175.328 0.017 0.000 1.071 208 H CA -0.199 55.860 56.048 0.018 0.000 1.307 208 H CB 1.106 30.874 29.762 0.010 0.000 1.416 208 H HN 0.563 nan 8.280 nan 0.000 0.464 209 T N -0.740 113.872 114.554 0.097 0.000 2.870 209 T HA 0.197 4.538 4.350 -0.015 0.000 0.277 209 T C 1.452 176.189 174.700 0.063 0.000 1.000 209 T CA -0.757 61.382 62.100 0.065 0.000 0.982 209 T CB 1.121 70.011 68.868 0.037 0.000 1.249 209 T HN 0.346 nan 8.240 nan 0.000 0.589 210 S N -0.145 115.580 115.700 0.043 0.000 2.382 210 S HA -0.086 4.375 4.470 -0.015 0.000 0.228 210 S C 1.520 176.141 174.600 0.035 0.000 1.027 210 S CA 1.109 59.330 58.200 0.035 0.000 0.991 210 S CB -0.472 62.743 63.200 0.026 0.000 0.823 210 S HN 0.731 nan 8.310 nan 0.000 0.469 211 Q N 0.936 120.756 119.800 0.033 0.000 2.414 211 Q HA 0.418 4.749 4.340 -0.015 0.000 0.286 211 Q C 0.631 176.651 176.000 0.033 0.000 0.941 211 Q CA 0.203 56.024 55.803 0.029 0.000 0.951 211 Q CB -0.609 28.142 28.738 0.022 0.000 1.188 211 Q HN 0.473 nan 8.270 nan 0.000 0.418 212 G N -0.218 108.612 108.800 0.049 0.000 2.796 212 G HA2 -0.143 3.807 3.960 -0.015 0.000 0.226 212 G HA3 -0.143 3.807 3.960 -0.015 0.000 0.226 212 G C -0.326 174.603 174.900 0.048 0.000 1.381 212 G CA -0.664 44.474 45.100 0.064 0.000 0.867 212 G HN 0.676 nan 8.290 nan 0.000 0.552 213 A N 0.061 122.900 122.820 0.030 0.000 2.386 213 A HA 0.629 4.940 4.320 -0.015 0.000 0.248 213 A C 0.524 178.060 177.584 -0.080 0.000 1.082 213 A CA 0.630 52.599 52.037 -0.113 0.000 0.789 213 A CB 0.470 19.370 19.000 -0.167 0.000 1.025 213 A HN 0.737 nan 8.150 nan 0.000 0.490 214 K N 0.864 121.204 120.400 -0.099 0.000 2.507 214 K HA 0.168 4.479 4.320 -0.015 0.000 0.251 214 K C -1.899 174.736 176.600 0.059 0.000 0.943 214 K CA -0.239 56.039 56.287 -0.014 0.000 0.794 214 K CB 2.006 34.498 32.500 -0.012 0.000 1.188 214 K HN 0.771 nan 8.250 nan 0.000 0.428 215 W N 5.447 126.666 121.300 -0.135 0.000 2.308 215 W HA 0.375 5.025 4.660 -0.015 0.000 0.311 215 W C -0.533 175.931 176.519 -0.093 0.000 1.088 215 W CA -0.850 56.423 57.345 -0.120 0.000 1.309 215 W CB 0.126 29.500 29.460 -0.143 0.000 1.229 215 W HN 0.286 nan 8.180 nan 0.000 0.427 216 V N 2.791 122.756 119.914 0.086 0.000 3.155 216 V HA 0.617 4.728 4.120 -0.015 0.000 0.313 216 V C -0.173 175.904 176.094 -0.027 0.000 1.162 216 V CA -0.923 61.354 62.300 -0.038 0.000 1.048 216 V CB 1.974 33.806 31.823 0.014 0.000 1.092 216 V HN 0.453 nan 8.190 nan 0.000 0.447 217 D N 0.231 120.619 120.400 -0.020 0.000 2.837 217 D HA -0.136 4.495 4.640 -0.015 0.000 0.230 217 D C 0.513 176.835 176.300 0.037 0.000 1.152 217 D CA 1.571 55.585 54.000 0.024 0.000 0.736 217 D CB -1.531 39.305 40.800 0.060 0.000 1.084 217 D HN 1.349 nan 8.370 nan 0.000 0.429 218 T N -2.783 111.750 114.554 -0.035 0.000 2.913 218 T HA 0.492 4.833 4.350 -0.015 0.000 0.287 218 T C 0.483 175.248 174.700 0.108 0.000 1.008 218 T CA -0.747 61.348 62.100 -0.007 0.000 1.067 218 T CB 1.904 70.610 68.868 -0.270 0.000 0.996 218 T HN 0.035 nan 8.240 nan 0.000 0.513 219 Q N 0.711 120.647 119.800 0.227 0.000 2.293 219 Q HA 0.536 4.867 4.340 -0.015 0.000 0.251 219 Q C -0.869 175.238 176.000 0.178 0.000 0.930 219 Q CA -0.766 55.191 55.803 0.257 0.000 0.893 219 Q CB 1.539 30.523 28.738 0.410 0.000 1.215 219 Q HN 0.533 nan 8.270 nan 0.000 0.425 220 V N 3.198 123.175 119.914 0.104 0.000 2.417 220 V HA 0.365 4.476 4.120 -0.015 0.000 0.291 220 V C -0.363 175.774 176.094 0.072 0.000 1.024 220 V CA -0.682 61.582 62.300 -0.060 0.000 0.861 220 V CB 1.637 33.363 31.823 -0.162 0.000 0.985 220 V HN 0.488 nan 8.190 nan 0.000 0.436 221 V N 6.058 126.043 119.914 0.118 0.000 2.513 221 V HA 0.484 4.595 4.120 -0.015 0.000 0.299 221 V C -0.020 176.153 176.094 0.133 0.000 1.035 221 V CA -0.679 61.700 62.300 0.130 0.000 0.889 221 V CB 1.906 33.870 31.823 0.235 0.000 0.988 221 V HN 0.637 nan 8.190 nan 0.000 0.440 222 L N 3.529 124.822 121.223 0.117 0.000 2.350 222 L HA 0.689 5.020 4.340 -0.015 0.000 0.275 222 L C 0.461 177.512 176.870 0.301 0.000 1.099 222 L CA -0.220 54.706 54.840 0.143 0.000 0.808 222 L CB 1.230 43.352 42.059 0.105 0.000 1.149 222 L HN 0.768 nan 8.230 nan 0.000 0.442 223 A N 5.228 128.187 122.820 0.231 0.000 2.267 223 A HA 0.599 4.910 4.320 -0.015 0.000 0.315 223 A C -0.533 177.334 177.584 0.473 0.000 1.297 223 A CA -0.465 51.753 52.037 0.303 0.000 0.865 223 A CB 0.945 19.674 19.000 -0.450 0.000 1.165 223 A HN 0.772 nan 8.150 nan 0.000 0.513 224 M N 5.734 125.671 119.600 0.563 0.000 2.149 224 M HA 0.444 4.915 4.480 -0.015 0.000 0.342 224 M C -2.618 173.941 176.300 0.431 0.000 1.068 224 M CA -2.236 53.322 55.300 0.431 0.000 0.991 224 M CB 2.126 34.897 32.600 0.284 0.000 1.596 224 M HN 0.349 nan 8.290 nan 0.000 0.439 225 P HA 0.251 nan 4.420 nan 0.000 0.284 225 P C -1.899 175.306 177.300 -0.157 0.000 1.253 225 P CA 0.021 62.968 63.100 -0.256 0.000 0.800 225 P CB 0.474 31.827 31.700 -0.578 0.000 0.961 226 Y N 0.452 120.663 120.300 -0.149 0.000 2.350 226 Y HA 0.328 4.869 4.550 -0.015 0.000 0.338 226 Y C 0.233 176.100 175.900 -0.055 0.000 0.961 226 Y CA -0.365 57.711 58.100 -0.039 0.000 1.100 226 Y CB 1.290 39.766 38.460 0.028 0.000 1.179 226 Y HN 0.219 nan 8.280 nan 0.000 0.454 227 D N 1.879 122.366 120.400 0.145 0.000 2.198 227 D HA 0.387 5.018 4.640 -0.015 0.000 0.245 227 D C -0.563 175.980 176.300 0.406 0.000 1.079 227 D CA -0.114 54.020 54.000 0.225 0.000 0.854 227 D CB 1.678 42.604 40.800 0.211 0.000 1.148 227 D HN 0.382 nan 8.370 nan 0.000 0.456 228 T N 3.275 117.985 114.554 0.260 0.000 2.824 228 T HA 0.452 4.793 4.350 -0.015 0.000 0.282 228 T C -2.533 172.043 174.700 -0.206 0.000 0.993 228 T CA -1.465 60.690 62.100 0.091 0.000 0.967 228 T CB 2.085 70.985 68.868 0.054 0.000 0.960 228 T HN 0.182 nan 8.240 nan 0.000 0.441 229 P HA 0.274 nan 4.420 nan 0.000 0.275 229 P C -0.985 175.995 177.300 -0.532 0.000 1.227 229 P CA -0.342 62.113 63.100 -1.075 0.000 0.781 229 P CB 0.854 31.831 31.700 -1.206 0.000 0.906 230 V N 5.263 124.914 119.914 -0.438 0.000 2.289 230 V HA 0.242 4.353 4.120 -0.015 0.000 0.272 230 V C -2.067 173.887 176.094 -0.233 0.000 1.026 230 V CA -1.924 60.211 62.300 -0.275 0.000 0.807 230 V CB 1.254 32.962 31.823 -0.191 0.000 1.044 230 V HN 0.541 nan 8.190 nan 0.000 0.443 231 P HA 0.251 nan 4.420 nan 0.000 0.281 231 P C 0.433 177.675 177.300 -0.097 0.000 1.252 231 P CA 0.344 63.346 63.100 -0.164 0.000 0.778 231 P CB 1.506 33.108 31.700 -0.164 0.000 0.895 232 G N 2.366 111.127 108.800 -0.065 0.000 2.634 232 G HA2 0.096 4.046 3.960 -0.015 0.000 0.255 232 G HA3 0.096 4.046 3.960 -0.015 0.000 0.255 232 G C -1.094 173.811 174.900 0.009 0.000 1.205 232 G CA -0.566 44.525 45.100 -0.015 0.000 0.884 232 G HN 0.519 nan 8.290 nan 0.000 0.549 233 Y N 0.632 120.890 120.300 -0.070 0.000 2.674 233 Y HA 0.248 4.788 4.550 -0.016 0.000 0.354 233 Y C 1.230 177.090 175.900 -0.066 0.000 1.089 233 Y CA -0.173 57.882 58.100 -0.075 0.000 1.444 233 Y CB 0.023 38.437 38.460 -0.077 0.000 1.187 233 Y HN 0.725 nan 8.280 nan 0.000 0.523 234 R N 2.618 122.806 120.500 -0.519 0.000 3.741 234 R HA -0.317 4.014 4.340 -0.015 0.000 0.292 234 R C 0.034 176.186 176.300 -0.246 0.000 1.176 234 R CA 1.478 57.293 56.100 -0.474 0.000 0.794 234 R CB -1.967 27.872 30.300 -0.769 0.000 1.213 234 R HN 0.944 nan 8.270 nan 0.000 0.494 235 N N -1.240 117.368 118.700 -0.153 0.000 2.177 235 N HA 0.068 4.799 4.740 -0.015 0.000 0.218 235 N C -0.174 175.283 175.510 -0.088 0.000 1.182 235 N CA -0.313 52.680 53.050 -0.095 0.000 0.882 235 N CB 0.498 38.955 38.487 -0.050 0.000 1.052 235 N HN 0.087 nan 8.380 nan 0.000 0.519 236 N N -0.267 118.376 118.700 -0.094 0.000 2.732 236 N HA -0.143 4.588 4.740 -0.015 0.000 0.250 236 N C -0.827 174.636 175.510 -0.077 0.000 1.097 236 N CA 0.645 53.648 53.050 -0.078 0.000 0.812 236 N CB -1.319 37.123 38.487 -0.074 0.000 1.148 236 N HN 0.202 nan 8.380 nan 0.000 0.572 237 V N 1.237 121.107 119.914 -0.073 0.000 2.498 237 V HA 0.353 4.464 4.120 -0.015 0.000 0.279 237 V C 0.662 176.720 176.094 -0.059 0.000 1.048 237 V CA -0.389 61.874 62.300 -0.061 0.000 0.967 237 V CB 2.004 33.815 31.823 -0.021 0.000 0.988 237 V HN -0.022 nan 8.190 nan 0.000 0.473 238 V N 5.426 125.313 119.914 -0.045 0.000 2.419 238 V HA 0.420 4.530 4.120 -0.015 0.000 0.287 238 V C -0.068 176.016 176.094 -0.017 0.000 1.017 238 V CA -0.883 61.358 62.300 -0.098 0.000 0.844 238 V CB 1.403 33.130 31.823 -0.159 0.000 1.011 238 V HN 0.840 nan 8.190 nan 0.000 0.429 239 N N 1.975 120.633 118.700 -0.070 0.000 2.405 239 N HA 0.540 5.271 4.740 -0.015 0.000 0.269 239 N C 0.006 175.491 175.510 -0.043 0.000 1.249 239 N CA -0.245 52.783 53.050 -0.037 0.000 0.974 239 N CB 1.100 39.521 38.487 -0.109 0.000 1.204 239 N HN 0.576 nan 8.380 nan 0.000 0.565 240 T N 0.783 115.322 114.554 -0.024 0.000 2.807 240 T HA 0.393 4.734 4.350 -0.015 0.000 0.279 240 T C -0.200 174.465 174.700 -0.059 0.000 0.993 240 T CA -0.506 61.665 62.100 0.118 0.000 0.970 240 T CB 0.949 69.998 68.868 0.301 0.000 0.950 240 T HN 0.301 nan 8.240 nan 0.000 0.441 241 M N 3.846 123.381 119.600 -0.108 0.000 2.101 241 M HA 0.502 4.973 4.480 -0.015 0.000 0.340 241 M C -0.449 175.702 176.300 -0.248 0.000 1.057 241 M CA -0.744 54.401 55.300 -0.258 0.000 0.984 241 M CB 0.711 33.093 32.600 -0.362 0.000 1.560 241 M HN 0.476 nan 8.290 nan 0.000 0.435 242 R N 5.960 126.193 120.500 -0.444 0.000 2.265 242 R HA 0.609 4.940 4.340 -0.015 0.000 0.328 242 R C -1.928 174.064 176.300 -0.514 0.000 0.969 242 R CA -0.415 55.360 56.100 -0.541 0.000 0.832 242 R CB 0.821 30.590 30.300 -0.884 0.000 1.139 242 R HN 0.817 nan 8.270 nan 0.000 0.457 243 L N 4.981 126.019 121.223 -0.309 0.000 2.322 243 L HA 0.510 4.841 4.340 -0.015 0.000 0.281 243 L C -0.820 176.000 176.870 -0.084 0.000 1.014 243 L CA -0.912 53.852 54.840 -0.126 0.000 0.815 243 L CB 1.510 43.584 42.059 0.027 0.000 1.247 243 L HN 0.579 nan 8.230 nan 0.000 0.421 244 W N 1.808 123.226 121.300 0.196 0.000 2.365 244 W HA 0.497 5.148 4.660 -0.015 0.000 0.316 244 W C 0.500 177.253 176.519 0.390 0.000 1.164 244 W CA -0.222 57.267 57.345 0.240 0.000 1.204 244 W CB 1.594 31.046 29.460 -0.013 0.000 1.213 244 W HN 0.338 nan 8.180 nan 0.000 0.539 245 S N 1.774 117.891 115.700 0.695 0.000 2.503 245 S HA 0.786 5.247 4.470 -0.015 0.000 0.301 245 S C -0.499 174.452 174.600 0.584 0.000 1.087 245 S CA -0.711 57.799 58.200 0.517 0.000 1.042 245 S CB 0.719 64.159 63.200 0.400 0.000 1.043 245 S HN 0.512 nan 8.310 nan 0.000 0.489 246 A N 4.709 127.688 122.820 0.264 0.000 2.320 246 A HA 0.658 4.969 4.320 -0.015 0.000 0.287 246 A C -0.239 177.394 177.584 0.081 0.000 1.181 246 A CA -0.368 51.704 52.037 0.059 0.000 0.831 246 A CB 0.341 19.087 19.000 -0.422 0.000 1.102 246 A HN 0.624 nan 8.150 nan 0.000 0.513 247 K N 1.432 121.898 120.400 0.109 0.000 2.378 247 K HA 0.599 4.910 4.320 -0.015 0.000 0.252 247 K C -0.269 176.314 176.600 -0.029 0.000 0.931 247 K CA -0.409 55.910 56.287 0.052 0.000 0.794 247 K CB 2.129 34.693 32.500 0.107 0.000 1.181 247 K HN 0.831 nan 8.250 nan 0.000 0.425 248 A N 4.610 127.358 122.820 -0.119 0.000 2.462 248 A HA 0.377 4.688 4.320 -0.015 0.000 0.243 248 A C -2.061 175.489 177.584 -0.057 0.000 1.076 248 A CA -0.811 51.085 52.037 -0.235 0.000 0.773 248 A CB -0.418 18.349 19.000 -0.390 0.000 1.010 248 A HN 0.343 nan 8.150 nan 0.000 0.493 249 P HA 0.152 nan 4.420 nan 0.000 0.274 249 P C 0.095 177.468 177.300 0.122 0.000 1.237 249 P CA -0.480 62.665 63.100 0.075 0.000 0.793 249 P CB 0.592 32.350 31.700 0.096 0.000 0.977 250 N N 0.763 119.523 118.700 0.100 0.000 2.396 250 N HA -0.103 4.627 4.740 -0.015 0.000 0.180 250 N C 0.840 176.424 175.510 0.123 0.000 1.028 250 N CA 0.957 54.070 53.050 0.104 0.000 0.893 250 N CB -0.421 38.112 38.487 0.076 0.000 0.967 250 N HN 0.565 nan 8.380 nan 0.000 0.440 251 D N -0.640 119.833 120.400 0.122 0.000 2.319 251 D HA -0.091 4.540 4.640 -0.015 0.000 0.230 251 D C 0.173 176.545 176.300 0.121 0.000 1.094 251 D CA -0.512 53.550 54.000 0.103 0.000 0.856 251 D CB -0.887 39.957 40.800 0.074 0.000 0.915 251 D HN 0.036 nan 8.370 nan 0.000 0.517 252 F N 1.997 121.961 119.950 0.024 0.000 2.578 252 F HA 0.111 4.629 4.527 -0.015 0.000 0.376 252 F C 0.865 176.671 175.800 0.010 0.000 1.085 252 F CA 0.085 58.096 58.000 0.018 0.000 1.260 252 F CB 0.142 39.153 39.000 0.018 0.000 1.095 252 F HN -0.159 nan 8.300 nan 0.000 0.573 253 N N 2.608 120.840 118.700 -0.780 0.000 2.713 253 N HA -0.270 4.461 4.740 -0.015 0.000 0.251 253 N C -0.909 174.475 175.510 -0.210 0.000 1.117 253 N CA 1.388 54.106 53.050 -0.554 0.000 0.770 253 N CB -1.156 36.997 38.487 -0.555 0.000 1.137 253 N HN 0.567 nan 8.380 nan 0.000 0.566 261 G N -0.049 108.783 108.800 0.053 0.000 2.422 261 G HA2 -0.083 3.868 3.960 -0.015 0.000 0.218 261 G HA3 -0.083 3.868 3.960 -0.015 0.000 0.218 261 G C 1.556 176.490 174.900 0.056 0.000 1.146 261 G CA 1.911 47.034 45.100 0.039 0.000 0.769 261 G HN 0.495 nan 8.290 nan 0.000 0.547 262 Y N 1.361 121.660 120.300 -0.002 0.000 2.114 262 Y HA -0.143 4.398 4.550 -0.015 0.000 0.284 262 Y C 2.586 178.492 175.900 0.011 0.000 1.143 262 Y CA 1.170 59.272 58.100 0.003 0.000 1.135 262 Y CB -0.187 38.276 38.460 0.005 0.000 0.980 262 Y HN 0.094 nan 8.280 nan 0.000 0.499 263 I N 0.485 120.979 120.570 -0.126 0.000 2.091 263 I HA -0.339 3.822 4.170 -0.015 0.000 0.239 263 I C 2.406 178.418 176.117 -0.174 0.000 1.061 263 I CA 1.588 62.773 61.300 -0.193 0.000 1.317 263 I CB -1.511 36.482 38.000 -0.010 0.000 1.031 263 I HN 0.347 nan 8.210 nan 0.000 0.401 264 Q N 0.540 120.288 119.800 -0.086 0.000 2.112 264 Q HA -0.179 4.151 4.340 -0.015 0.000 0.206 264 Q C 2.374 178.330 176.000 -0.073 0.000 0.987 264 Q CA 2.114 57.882 55.803 -0.058 0.000 0.858 264 Q CB -0.595 28.125 28.738 -0.031 0.000 0.905 264 Q HN 0.580 nan 8.270 nan 0.000 0.420 265 A N -0.112 122.643 122.820 -0.109 0.000 1.883 265 A HA -0.160 4.151 4.320 -0.015 0.000 0.217 265 A C 2.428 179.967 177.584 -0.075 0.000 1.186 265 A CA 1.847 53.822 52.037 -0.104 0.000 0.624 265 A CB -0.753 18.183 19.000 -0.107 0.000 0.822 265 A HN 0.237 nan 8.150 nan 0.000 0.444 266 V N 0.198 119.995 119.914 -0.195 0.000 2.343 266 V HA -0.247 3.864 4.120 -0.015 0.000 0.247 266 V C 2.542 178.610 176.094 -0.043 0.000 1.051 266 V CA 1.888 64.100 62.300 -0.147 0.000 1.036 266 V CB -0.786 30.852 31.823 -0.307 0.000 0.654 266 V HN 0.569 nan 8.190 nan 0.000 0.451 267 L N -0.187 121.005 121.223 -0.052 0.000 2.131 267 L HA -0.168 4.163 4.340 -0.015 0.000 0.210 267 L C 2.122 179.018 176.870 0.043 0.000 1.092 267 L CA 1.354 56.190 54.840 -0.007 0.000 0.759 267 L CB -0.728 41.321 42.059 -0.016 0.000 0.903 267 L HN 0.334 nan 8.230 nan 0.000 0.435 268 D N -0.021 120.427 120.400 0.080 0.000 2.348 268 D HA -0.088 4.543 4.640 -0.015 0.000 0.216 268 D C 2.173 178.669 176.300 0.325 0.000 0.970 268 D CA 0.492 54.596 54.000 0.173 0.000 0.889 268 D CB -0.041 40.849 40.800 0.148 0.000 0.912 268 D HN 0.232 nan 8.370 nan 0.000 0.524 269 R N 0.380 121.029 120.500 0.247 0.000 2.159 269 R HA -0.105 4.226 4.340 -0.015 0.000 0.237 269 R C 1.749 177.999 176.300 -0.083 0.000 1.131 269 R CA 1.026 57.154 56.100 0.047 0.000 0.982 269 R CB -0.322 30.002 30.300 0.039 0.000 0.868 269 R HN 0.355 nan 8.270 nan 0.000 0.453 270 N N 0.310 119.010 118.700 0.000 0.000 2.137 270 N HA -0.198 4.533 4.740 -0.015 0.000 0.190 270 N C 1.392 176.888 175.510 -0.024 0.000 1.017 270 N CA 0.809 53.853 53.050 -0.009 0.000 0.859 270 N CB -0.116 38.383 38.487 0.019 0.000 1.002 270 N HN 0.017 nan 8.380 nan 0.000 0.428 271 L N 1.118 122.347 121.223 0.009 0.000 2.013 271 L HA -0.187 4.143 4.340 -0.015 0.000 0.212 271 L C 2.419 179.243 176.870 -0.077 0.000 1.073 271 L CA 1.606 56.454 54.840 0.014 0.000 0.753 271 L CB -0.953 41.179 42.059 0.121 0.000 0.890 271 L HN 0.172 nan 8.230 nan 0.000 0.432 272 A N -1.072 121.612 122.820 -0.227 0.000 1.930 272 A HA -0.175 4.136 4.320 -0.015 0.000 0.217 272 A C 2.120 179.565 177.584 -0.231 0.000 1.175 272 A CA 1.474 53.324 52.037 -0.310 0.000 0.627 272 A CB -0.455 18.166 19.000 -0.632 0.000 0.815 272 A HN 0.543 nan 8.150 nan 0.000 0.443 273 E N -0.007 120.084 120.200 -0.182 0.000 2.481 273 E HA -0.063 4.277 4.350 -0.015 0.000 0.195 273 E C 1.064 177.621 176.600 -0.072 0.000 1.047 273 E CA 0.141 56.471 56.400 -0.115 0.000 0.867 273 E CB -0.116 29.544 29.700 -0.066 0.000 0.858 273 E HN 0.457 nan 8.360 nan 0.000 0.513 274 N N 1.120 119.783 118.700 -0.062 0.000 2.364 274 N HA -0.117 4.614 4.740 -0.015 0.000 0.183 274 N C 1.623 177.122 175.510 -0.019 0.000 1.022 274 N CA 0.701 53.743 53.050 -0.013 0.000 0.883 274 N CB -0.071 38.414 38.487 -0.004 0.000 0.965 274 N HN 0.248 nan 8.380 nan 0.000 0.438 275 I N 0.480 120.976 120.570 -0.124 0.000 2.185 275 I HA -0.281 3.880 4.170 -0.015 0.000 0.246 275 I C 1.454 177.530 176.117 -0.069 0.000 1.088 275 I CA 1.404 62.599 61.300 -0.176 0.000 1.347 275 I CB -0.229 37.495 38.000 -0.460 0.000 1.041 275 I HN 0.148 nan 8.210 nan 0.000 0.415 276 S N -0.548 115.106 115.700 -0.076 0.000 2.582 276 S HA 0.174 4.635 4.470 -0.015 0.000 0.234 276 S C 1.482 176.221 174.600 0.232 0.000 0.961 276 S CA -0.500 57.748 58.200 0.079 0.000 0.953 276 S CB 0.230 63.461 63.200 0.053 0.000 0.800 276 S HN 0.226 nan 8.310 nan 0.000 0.471 277 R N 1.252 121.891 120.500 0.231 0.000 2.075 277 R HA 0.284 4.615 4.340 -0.015 0.000 0.226 277 R C 0.320 176.882 176.300 0.438 0.000 1.114 277 R CA 0.998 57.279 56.100 0.302 0.000 0.972 277 R CB -0.163 30.271 30.300 0.224 0.000 0.869 277 R HN 0.382 nan 8.270 nan 0.000 0.437 278 V N 0.494 120.623 119.914 0.359 0.000 2.851 278 V HA 0.338 4.449 4.120 -0.015 0.000 0.307 278 V C -1.619 174.433 176.094 -0.069 0.000 1.129 278 V CA -1.366 61.055 62.300 0.201 0.000 0.932 278 V CB 1.770 33.623 31.823 0.050 0.000 1.024 278 V HN 0.148 nan 8.190 nan 0.000 0.426 279 L N 7.207 128.143 121.223 -0.479 0.000 2.410 279 L HA 0.451 4.782 4.340 -0.015 0.000 0.273 279 L C -0.785 175.907 176.870 -0.295 0.000 1.144 279 L CA 0.485 54.825 54.840 -0.834 0.000 0.863 279 L CB 0.327 41.824 42.059 -0.937 0.000 1.140 279 L HN 0.677 nan 8.230 nan 0.000 0.463 280 Y N 7.384 127.583 120.300 -0.168 0.000 2.650 280 Y HA 0.164 4.705 4.550 -0.015 0.000 0.331 280 Y C -1.318 174.566 175.900 -0.027 0.000 1.165 280 Y CA -0.943 57.134 58.100 -0.039 0.000 1.473 280 Y CB 0.368 38.831 38.460 0.006 0.000 1.224 280 Y HN 0.590 nan 8.280 nan 0.000 0.533 281 P HA -0.005 nan 4.420 nan 0.000 0.268 281 P C -0.616 176.815 177.300 0.218 0.000 1.329 281 P CA 0.137 63.339 63.100 0.170 0.000 0.899 281 P CB 0.249 32.136 31.700 0.312 0.000 1.378 282 N N 1.359 120.195 118.700 0.227 0.000 3.124 282 N HA -0.026 4.705 4.740 -0.015 0.000 0.284 282 N C 0.209 175.849 175.510 0.216 0.000 1.209 282 N CA -0.051 53.133 53.050 0.223 0.000 1.149 282 N CB -0.159 38.459 38.487 0.218 0.000 1.434 282 N HN 0.083 nan 8.380 nan 0.000 0.529 283 D N 0.691 121.239 120.400 0.246 0.000 2.363 283 D HA -0.145 4.486 4.640 -0.015 0.000 0.226 283 D C 0.734 177.258 176.300 0.373 0.000 1.020 283 D CA 0.185 54.354 54.000 0.282 0.000 0.892 283 D CB -0.068 40.916 40.800 0.307 0.000 0.900 283 D HN 0.523 nan 8.370 nan 0.000 0.531 284 N N -0.335 118.563 118.700 0.329 0.000 2.454 284 N HA -0.017 4.714 4.740 -0.015 0.000 0.177 284 N C -0.454 175.207 175.510 0.251 0.000 1.049 284 N CA -0.166 53.057 53.050 0.289 0.000 0.887 284 N CB 0.042 38.519 38.487 -0.016 0.000 1.095 284 N HN 0.136 nan 8.380 nan 0.000 0.446 285 F N 1.118 121.088 119.950 0.033 0.000 2.617 285 F HA 0.386 4.904 4.527 -0.015 0.000 0.325 285 F C -1.174 174.653 175.800 0.045 0.000 1.179 285 F CA -1.669 56.341 58.000 0.017 0.000 0.965 285 F CB 1.109 40.076 39.000 -0.056 0.000 1.232 285 F HN -0.089 nan 8.300 nan 0.000 0.461 286 F N 5.467 125.137 119.950 -0.467 0.000 2.590 286 F HA 0.214 4.732 4.527 -0.015 0.000 0.389 286 F C -0.077 175.445 175.800 -0.463 0.000 1.049 286 F CA 0.478 58.219 58.000 -0.432 0.000 1.199 286 F CB 0.364 39.082 39.000 -0.469 0.000 1.058 286 F HN 0.522 nan 8.300 nan 0.000 0.556 287 E N 3.879 123.514 120.200 -0.941 0.000 2.145 287 E HA 0.288 4.629 4.350 -0.015 0.000 0.270 287 E C 0.126 175.904 176.600 -1.370 0.000 0.906 287 E CA -0.584 55.308 56.400 -0.847 0.000 0.761 287 E CB 1.601 31.140 29.700 -0.269 0.000 1.116 287 E HN 0.828 nan 8.360 nan 0.000 0.408 288 G N 4.482 112.545 108.800 -1.228 0.000 3.090 288 G HA2 -0.024 3.926 3.960 -0.015 0.000 0.259 288 G HA3 -0.024 3.926 3.960 -0.015 0.000 0.259 288 G C -0.015 174.833 174.900 -0.086 0.000 0.797 288 G CA -0.196 44.416 45.100 -0.812 0.000 2.032 288 G HN 0.141 nan 8.290 nan 0.000 0.614 289 K N 0.683 121.052 120.400 -0.051 0.000 2.201 289 K HA 0.142 4.453 4.320 -0.015 0.000 0.278 289 K C 0.962 177.692 176.600 0.216 0.000 1.027 289 K CA -0.511 55.837 56.287 0.102 0.000 0.909 289 K CB 2.225 34.774 32.500 0.082 0.000 1.062 289 K HN 0.493 nan 8.250 nan 0.000 0.465 290 E N 2.196 122.495 120.200 0.165 0.000 2.085 290 E HA -0.212 4.129 4.350 -0.015 0.000 0.194 290 E C 1.524 178.148 176.600 0.040 0.000 0.994 290 E CA 0.977 57.429 56.400 0.087 0.000 0.801 290 E CB 0.174 29.929 29.700 0.092 0.000 0.743 290 E HN 0.437 nan 8.360 nan 0.000 0.453 291 L N 1.255 122.544 121.223 0.109 0.000 2.046 291 L HA -0.172 4.159 4.340 -0.015 0.000 0.208 291 L C 2.487 179.440 176.870 0.138 0.000 1.077 291 L CA 1.756 56.675 54.840 0.131 0.000 0.747 291 L CB -0.450 41.752 42.059 0.239 0.000 0.896 291 L HN 0.007 nan 8.230 nan 0.000 0.432 292 R N -0.528 119.997 120.500 0.042 0.000 2.081 292 R HA -0.172 4.159 4.340 -0.015 0.000 0.235 292 R C 2.106 178.430 176.300 0.040 0.000 1.131 292 R CA 1.932 57.971 56.100 -0.103 0.000 0.960 292 R CB -1.027 28.973 30.300 -0.501 0.000 0.856 292 R HN 0.429 nan 8.270 nan 0.000 0.436 293 L N 0.802 121.955 121.223 -0.117 0.000 2.083 293 L HA -0.065 4.266 4.340 -0.015 0.000 0.209 293 L C 1.690 178.484 176.870 -0.127 0.000 1.083 293 L CA 1.877 56.429 54.840 -0.479 0.000 0.752 293 L CB -0.352 41.130 42.059 -0.962 0.000 0.899 293 L HN 0.145 nan 8.230 nan 0.000 0.433 294 K N -0.994 119.380 120.400 -0.044 0.000 2.097 294 K HA -0.194 4.117 4.320 -0.015 0.000 0.206 294 K C 2.094 178.840 176.600 0.243 0.000 1.049 294 K CA 1.736 58.055 56.287 0.053 0.000 0.933 294 K CB -0.181 32.157 32.500 -0.270 0.000 0.717 294 K HN 0.512 nan 8.250 nan 0.000 0.442 295 Q N 0.640 120.555 119.800 0.191 0.000 2.079 295 Q HA -0.163 4.168 4.340 -0.015 0.000 0.200 295 Q C 1.927 178.120 176.000 0.321 0.000 0.974 295 Q CA 1.320 57.298 55.803 0.293 0.000 0.840 295 Q CB 0.028 28.961 28.738 0.325 0.000 0.898 295 Q HN 0.381 nan 8.270 nan 0.000 0.430 296 E N -0.139 120.202 120.200 0.235 0.000 2.077 296 E HA -0.217 4.124 4.350 -0.015 0.000 0.193 296 E C 1.722 178.430 176.600 0.180 0.000 0.989 296 E CA 1.070 57.592 56.400 0.203 0.000 0.800 296 E CB -0.137 29.658 29.700 0.159 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.487 120.831 120.300 0.073 0.000 2.220 297 Y HA -0.196 4.344 4.550 -0.015 0.000 0.291 297 Y C 1.995 177.934 175.900 0.064 0.000 1.129 297 Y CA 0.974 59.076 58.100 0.003 0.000 1.161 297 Y CB -0.443 37.989 38.460 -0.047 0.000 0.997 297 Y HN 0.000 nan 8.280 nan 0.000 0.522 298 F N -0.179 119.767 119.950 -0.007 0.000 2.063 298 F HA -0.281 4.237 4.527 -0.015 0.000 0.298 298 F C 2.496 178.142 175.800 -0.257 0.000 1.109 298 F CA 2.144 60.090 58.000 -0.090 0.000 1.212 298 F CB -1.062 38.032 39.000 0.155 0.000 0.973 298 F HN -0.039 nan 8.300 nan 0.000 0.480 299 V N -0.625 119.231 119.914 -0.097 0.000 2.548 299 V HA -0.166 3.944 4.120 -0.015 0.000 0.249 299 V C 2.150 178.089 176.094 -0.259 0.000 1.055 299 V CA 1.762 63.969 62.300 -0.156 0.000 1.065 299 V CB -0.303 31.642 31.823 0.203 0.000 0.681 299 V HN 0.253 nan 8.190 nan 0.000 0.462 300 V N 0.457 120.226 119.914 -0.241 0.000 2.307 300 V HA -0.156 3.955 4.120 -0.015 0.000 0.245 300 V C 2.809 178.646 176.094 -0.428 0.000 1.045 300 V CA 2.095 64.241 62.300 -0.255 0.000 1.024 300 V CB -0.973 30.765 31.823 -0.143 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.138 122.251 122.820 -0.717 0.000 1.877 301 A HA -0.106 4.205 4.320 -0.015 0.000 0.216 301 A C 2.406 179.618 177.584 -0.620 0.000 1.186 301 A CA 2.123 53.736 52.037 -0.708 0.000 0.620 301 A CB -0.855 17.516 19.000 -1.048 0.000 0.822 301 A HN 0.560 nan 8.150 nan 0.000 0.443 302 A N -1.066 121.215 122.820 -0.898 0.000 1.902 302 A HA -0.067 4.244 4.320 -0.015 0.000 0.217 302 A C 2.319 179.404 177.584 -0.832 0.000 1.181 302 A CA 2.305 53.616 52.037 -1.210 0.000 0.623 302 A CB -1.304 16.276 19.000 -2.367 0.000 0.818 302 A HN 0.432 nan 8.150 nan 0.000 0.443 303 T N 0.549 114.759 114.554 -0.573 0.000 2.674 303 T HA -0.109 4.232 4.350 -0.015 0.000 0.265 303 T C 1.841 176.278 174.700 -0.439 0.000 1.039 303 T CA 1.483 63.369 62.100 -0.357 0.000 1.150 303 T CB -0.423 68.241 68.868 -0.341 0.000 0.864 303 T HN 0.343 nan 8.240 nan 0.000 0.427 304 L N 0.720 121.731 121.223 -0.354 0.000 2.042 304 L HA -0.193 4.138 4.340 -0.015 0.000 0.210 304 L C 2.928 179.685 176.870 -0.188 0.000 1.076 304 L CA 1.501 56.185 54.840 -0.259 0.000 0.749 304 L CB -0.559 41.385 42.059 -0.191 0.000 0.893 304 L HN 0.370 nan 8.230 nan 0.000 0.432 305 Q N -0.640 119.048 119.800 -0.187 0.000 2.124 305 Q HA -0.248 4.083 4.340 -0.015 0.000 0.202 305 Q C 1.785 177.760 176.000 -0.041 0.000 0.977 305 Q CA 1.702 57.448 55.803 -0.095 0.000 0.850 305 Q CB -0.114 28.560 28.738 -0.108 0.000 0.901 305 Q HN 0.391 nan 8.270 nan 0.000 0.429 306 D N 0.430 120.793 120.400 -0.061 0.000 2.144 306 D HA -0.085 4.546 4.640 -0.015 0.000 0.200 306 D C 1.612 177.851 176.300 -0.101 0.000 0.978 306 D CA 0.798 54.807 54.000 0.014 0.000 0.833 306 D CB 0.036 40.952 40.800 0.194 0.000 0.961 306 D HN 0.170 nan 8.370 nan 0.000 0.470 307 I N -0.006 120.397 120.570 -0.278 0.000 2.202 307 I HA -0.215 3.946 4.170 -0.015 0.000 0.242 307 I C 2.245 178.363 176.117 0.001 0.000 1.091 307 I CA 0.701 61.770 61.300 -0.386 0.000 1.368 307 I CB -0.087 37.523 38.000 -0.650 0.000 1.058 307 I HN 0.024 nan 8.210 nan 0.000 0.410 308 I N 0.324 120.962 120.570 0.112 0.000 2.252 308 I HA -0.289 3.872 4.170 -0.015 0.000 0.245 308 I C 2.753 179.040 176.117 0.284 0.000 1.102 308 I CA 1.148 62.637 61.300 0.315 0.000 1.385 308 I CB -0.401 37.737 38.000 0.230 0.000 1.064 308 I HN 0.184 nan 8.210 nan 0.000 0.414 309 R N 1.263 121.860 120.500 0.161 0.000 2.094 309 R HA -0.239 4.092 4.340 -0.015 0.000 0.239 309 R C 2.507 178.891 176.300 0.141 0.000 1.137 309 R CA 1.883 58.069 56.100 0.144 0.000 0.943 309 R CB -0.311 30.064 30.300 0.125 0.000 0.850 309 R HN 0.185 nan 8.270 nan 0.000 0.433 310 R N -0.659 119.913 120.500 0.120 0.000 2.096 310 R HA -0.167 4.164 4.340 -0.015 0.000 0.235 310 R C 2.191 178.579 176.300 0.147 0.000 1.127 310 R CA 1.695 57.866 56.100 0.118 0.000 0.968 310 R CB -0.395 29.950 30.300 0.076 0.000 0.861 310 R HN 0.326 nan 8.270 nan 0.000 0.440 311 F N 1.513 121.490 119.950 0.045 0.000 2.134 311 F HA -0.168 4.349 4.527 -0.015 0.000 0.299 311 F C 1.704 177.508 175.800 0.006 0.000 1.097 311 F CA 1.662 59.678 58.000 0.026 0.000 1.264 311 F CB 0.009 39.071 39.000 0.103 0.000 1.001 311 F HN -0.124 nan 8.300 nan 0.000 0.479 312 K N -0.305 120.058 120.400 -0.062 0.000 2.155 312 K HA 0.001 4.312 4.320 -0.015 0.000 0.203 312 K C 1.162 177.679 176.600 -0.139 0.000 1.052 312 K CA 1.088 57.266 56.287 -0.183 0.000 0.948 312 K CB -0.233 32.278 32.500 0.019 0.000 0.728 312 K HN 0.065 nan 8.250 nan 0.000 0.448 313 S N 1.663 117.348 115.700 -0.025 0.000 3.456 313 S HA 0.128 4.588 4.470 -0.015 0.000 0.229 313 S C -0.376 174.248 174.600 0.040 0.000 1.416 313 S CA -0.315 57.918 58.200 0.054 0.000 1.197 313 S CB 0.078 63.365 63.200 0.145 0.000 1.201 313 S HN 0.102 nan 8.310 nan 0.000 0.479 325 N N 0.836 119.520 118.700 -0.028 0.000 2.602 325 N HA 0.289 5.020 4.740 -0.015 0.000 0.238 325 N C -0.476 175.097 175.510 0.106 0.000 1.084 325 N CA -0.096 52.990 53.050 0.061 0.000 0.952 325 N CB 0.130 38.649 38.487 0.053 0.000 1.244 325 N HN 0.145 nan 8.380 nan 0.000 0.512 326 F N 1.600 121.657 119.950 0.178 0.000 2.811 326 F HA 0.071 4.589 4.527 -0.015 0.000 0.301 326 F C 1.450 177.303 175.800 0.088 0.000 1.151 326 F CA 0.119 58.180 58.000 0.102 0.000 1.412 326 F CB 0.291 39.236 39.000 -0.092 0.000 1.113 326 F HN 0.453 nan 8.300 nan 0.000 0.579 327 D N 0.380 120.915 120.400 0.226 0.000 2.182 327 D HA -0.192 4.439 4.640 -0.015 0.000 0.201 327 D C 2.180 178.571 176.300 0.152 0.000 0.986 327 D CA 1.391 55.482 54.000 0.152 0.000 0.847 327 D CB -0.087 40.779 40.800 0.110 0.000 0.942 327 D HN 0.243 nan 8.370 nan 0.000 0.467 328 A N -0.787 122.151 122.820 0.197 0.000 2.251 328 A HA 0.089 4.400 4.320 -0.015 0.000 0.209 328 A C 1.589 179.302 177.584 0.215 0.000 1.187 328 A CA -0.234 51.918 52.037 0.193 0.000 0.823 328 A CB -0.723 18.396 19.000 0.198 0.000 0.846 328 A HN 0.226 nan 8.150 nan 0.000 0.486 329 F N 1.878 121.807 119.950 -0.036 0.000 2.063 329 F HA -0.165 4.353 4.527 -0.015 0.000 0.298 329 F C -0.764 174.959 175.800 -0.129 0.000 1.109 329 F CA 2.677 60.470 58.000 -0.345 0.000 1.212 329 F CB -0.620 38.154 39.000 -0.377 0.000 0.973 329 F HN 0.199 nan 8.300 nan 0.000 0.480 330 P HA -0.100 nan 4.420 nan 0.000 0.225 330 P C 0.687 177.962 177.300 -0.042 0.000 1.148 330 P CA 1.489 64.581 63.100 -0.014 0.000 0.779 330 P CB -0.075 31.634 31.700 0.015 0.000 0.780 331 D N -0.920 119.473 120.400 -0.011 0.000 2.323 331 D HA -0.031 4.600 4.640 -0.015 0.000 0.209 331 D C 1.534 177.826 176.300 -0.014 0.000 0.973 331 D CA 0.901 54.901 54.000 -0.001 0.000 0.874 331 D CB 0.127 40.944 40.800 0.028 0.000 0.930 331 D HN 0.125 nan 8.370 nan 0.000 0.521 332 K N 0.017 120.391 120.400 -0.043 0.000 2.380 332 K HA 0.208 4.518 4.320 -0.015 0.000 0.198 332 K C -0.051 176.473 176.600 -0.127 0.000 1.070 332 K CA 0.090 56.358 56.287 -0.033 0.000 1.040 332 K CB 2.118 34.693 32.500 0.125 0.000 0.903 332 K HN -0.062 nan 8.250 nan 0.000 0.549 333 V N 1.106 120.866 119.914 -0.257 0.000 2.577 333 V HA 0.608 4.719 4.120 -0.015 0.000 0.303 333 V C -0.992 175.027 176.094 -0.127 0.000 1.042 333 V CA -1.319 60.823 62.300 -0.265 0.000 0.872 333 V CB 1.731 33.079 31.823 -0.791 0.000 0.998 333 V HN 0.102 nan 8.190 nan 0.000 0.423 334 A N 5.852 128.639 122.820 -0.056 0.000 2.331 334 A HA 0.928 5.239 4.320 -0.015 0.000 0.320 334 A C -0.866 176.748 177.584 0.050 0.000 1.138 334 A CA -0.513 51.524 52.037 0.000 0.000 0.790 334 A CB 0.924 19.874 19.000 -0.084 0.000 1.206 334 A HN 0.781 nan 8.150 nan 0.000 0.470 335 I N 1.860 122.504 120.570 0.123 0.000 2.355 335 I HA 0.276 4.437 4.170 -0.015 0.000 0.288 335 I C -0.238 175.973 176.117 0.157 0.000 0.999 335 I CA -0.554 60.829 61.300 0.138 0.000 1.163 335 I CB 1.833 39.894 38.000 0.102 0.000 1.316 335 I HN 0.678 nan 8.210 nan 0.000 0.454 336 Q N 6.666 126.557 119.800 0.152 0.000 2.296 336 Q HA 0.469 4.800 4.340 -0.015 0.000 0.257 336 Q C -1.188 174.818 176.000 0.009 0.000 0.942 336 Q CA -0.187 55.731 55.803 0.190 0.000 0.939 336 Q CB 1.151 30.103 28.738 0.358 0.000 1.198 336 Q HN 0.569 nan 8.270 nan 0.000 0.429 337 L N 3.878 125.144 121.223 0.072 0.000 2.261 337 L HA 0.354 4.685 4.340 -0.015 0.000 0.289 337 L C 0.103 177.003 176.870 0.050 0.000 1.059 337 L CA -0.641 54.233 54.840 0.057 0.000 0.816 337 L CB 0.547 42.684 42.059 0.131 0.000 1.191 337 L HN 0.563 nan 8.230 nan 0.000 0.431 338 N N 4.772 123.427 118.700 -0.074 0.000 2.555 338 N HA 0.067 4.798 4.740 -0.015 0.000 0.244 338 N C -0.086 175.443 175.510 0.031 0.000 1.114 338 N CA 0.405 53.447 53.050 -0.013 0.000 0.963 338 N CB -0.041 38.329 38.487 -0.196 0.000 1.276 338 N HN 0.670 nan 8.380 nan 0.000 0.510 339 D N -0.176 120.339 120.400 0.192 0.000 3.856 339 D HA -0.242 4.389 4.640 -0.015 0.000 0.276 339 D C 0.247 176.637 176.300 0.150 0.000 2.073 339 D CA 1.609 55.705 54.000 0.161 0.000 1.163 339 D CB -0.457 40.228 40.800 -0.190 0.000 0.937 339 D HN 0.519 nan 8.370 nan 0.000 1.140 340 T N -2.545 112.014 114.554 0.008 0.000 3.100 340 T HA 0.061 4.402 4.350 -0.015 0.000 0.253 340 T C 1.589 176.337 174.700 0.080 0.000 1.118 340 T CA 1.494 63.587 62.100 -0.013 0.000 1.058 340 T CB -0.490 68.345 68.868 -0.054 0.000 0.953 340 T HN 0.487 nan 8.240 nan 0.000 0.515 341 H N 2.641 121.803 119.070 0.154 0.000 2.390 341 H HA 0.003 4.549 4.556 -0.015 0.000 0.298 341 H C -0.948 174.470 175.328 0.150 0.000 1.106 341 H CA 0.976 57.130 56.048 0.177 0.000 1.297 341 H CB -0.920 28.948 29.762 0.176 0.000 1.375 341 H HN 0.450 nan 8.280 nan 0.000 0.509 342 P HA 0.101 nan 4.420 nan 0.000 0.262 342 P C 0.674 178.015 177.300 0.068 0.000 1.651 342 P CA 0.265 63.441 63.100 0.127 0.000 1.119 342 P CB 0.445 32.210 31.700 0.108 0.000 1.552 343 S N -0.200 115.533 115.700 0.056 0.000 2.419 343 S HA -0.144 4.317 4.470 -0.015 0.000 0.235 343 S C 1.732 176.330 174.600 -0.003 0.000 1.019 343 S CA 0.877 59.071 58.200 -0.011 0.000 0.982 343 S CB -1.497 61.672 63.200 -0.052 0.000 0.789 343 S HN 0.156 nan 8.310 nan 0.000 0.490 344 L N 1.082 122.316 121.223 0.019 0.000 2.450 344 L HA 0.008 4.339 4.340 -0.015 0.000 0.224 344 L C 2.941 179.837 176.870 0.043 0.000 1.149 344 L CA 0.607 55.457 54.840 0.017 0.000 0.816 344 L CB -0.798 41.266 42.059 0.008 0.000 0.932 344 L HN 0.466 nan 8.230 nan 0.000 0.449 345 A N 0.658 123.488 122.820 0.017 0.000 1.948 345 A HA -0.230 4.081 4.320 -0.015 0.000 0.220 345 A C 2.185 179.763 177.584 -0.010 0.000 1.177 345 A CA 1.734 53.767 52.037 -0.006 0.000 0.636 345 A CB -0.526 18.465 19.000 -0.016 0.000 0.815 345 A HN 0.393 nan 8.150 nan 0.000 0.449 346 I N 0.114 120.679 120.570 -0.009 0.000 2.133 346 I HA -0.134 4.026 4.170 -0.015 0.000 0.238 346 I C -0.396 175.731 176.117 0.017 0.000 1.074 346 I CA 1.489 62.779 61.300 -0.017 0.000 1.342 346 I CB -0.921 37.070 38.000 -0.015 0.000 1.053 346 I HN 0.252 nan 8.210 nan 0.000 0.404 347 P HA -0.141 nan 4.420 nan 0.000 0.222 347 P C 1.257 178.585 177.300 0.047 0.000 1.153 347 P CA 1.359 64.493 63.100 0.057 0.000 0.798 347 P CB 0.078 31.834 31.700 0.093 0.000 0.796 348 E N 0.398 120.692 120.200 0.156 0.000 2.047 348 E HA -0.156 4.184 4.350 -0.015 0.000 0.191 348 E C 1.938 178.522 176.600 -0.027 0.000 0.987 348 E CA 0.723 57.227 56.400 0.173 0.000 0.799 348 E CB -1.231 28.617 29.700 0.247 0.000 0.752 348 E HN -0.038 nan 8.360 nan 0.000 0.449 349 L N 0.043 121.217 121.223 -0.083 0.000 2.012 349 L HA -0.153 4.178 4.340 -0.015 0.000 0.210 349 L C 2.143 178.859 176.870 -0.257 0.000 1.073 349 L CA 1.853 56.579 54.840 -0.190 0.000 0.748 349 L CB -0.642 41.304 42.059 -0.188 0.000 0.891 349 L HN 0.261 nan 8.230 nan 0.000 0.431 350 M N -0.875 118.592 119.600 -0.222 0.000 2.108 350 M HA -0.236 4.235 4.480 -0.015 0.000 0.261 350 M C 2.428 178.556 176.300 -0.287 0.000 1.066 350 M CA 1.615 56.733 55.300 -0.304 0.000 1.107 350 M CB -1.273 31.141 32.600 -0.310 0.000 1.356 350 M HN 0.340 nan 8.290 nan 0.000 0.406 351 R N -0.003 120.356 120.500 -0.234 0.000 2.070 351 R HA -0.126 4.205 4.340 -0.015 0.000 0.233 351 R C 2.086 178.275 176.300 -0.185 0.000 1.137 351 R CA 1.700 57.663 56.100 -0.229 0.000 0.945 351 R CB -0.200 29.909 30.300 -0.319 0.000 0.845 351 R HN 0.212 nan 8.270 nan 0.000 0.430 352 V N 1.593 121.397 119.914 -0.183 0.000 2.295 352 V HA -0.269 3.842 4.120 -0.015 0.000 0.246 352 V C 2.463 178.383 176.094 -0.291 0.000 1.049 352 V CA 1.803 63.986 62.300 -0.195 0.000 1.024 352 V CB -0.461 31.244 31.823 -0.196 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.612 120.372 121.223 -0.399 0.000 2.017 353 L HA -0.150 4.181 4.340 -0.015 0.000 0.208 353 L C 2.424 179.099 176.870 -0.326 0.000 1.073 353 L CA 1.268 55.803 54.840 -0.509 0.000 0.745 353 L CB -0.617 41.100 42.059 -0.569 0.000 0.894 353 L HN 0.211 nan 8.230 nan 0.000 0.432 354 V N -0.426 119.341 119.914 -0.244 0.000 2.273 354 V HA -0.205 3.905 4.120 -0.015 0.000 0.242 354 V C 1.958 178.005 176.094 -0.079 0.000 1.035 354 V CA 1.819 64.041 62.300 -0.130 0.000 1.013 354 V CB -0.387 31.391 31.823 -0.076 0.000 0.652 354 V HN 0.376 nan 8.190 nan 0.000 0.452 355 D N -0.217 120.133 120.400 -0.084 0.000 2.194 355 D HA 0.013 4.643 4.640 -0.015 0.000 0.204 355 D C 1.904 178.174 176.300 -0.049 0.000 0.964 355 D CA 1.051 55.020 54.000 -0.051 0.000 0.846 355 D CB 0.155 40.924 40.800 -0.052 0.000 0.962 355 D HN 0.349 nan 8.370 nan 0.000 0.490 356 L N -0.033 121.144 121.223 -0.076 0.000 2.537 356 L HA 0.164 4.495 4.340 -0.015 0.000 0.224 356 L C 1.682 178.522 176.870 -0.049 0.000 1.065 356 L CA 0.372 55.180 54.840 -0.054 0.000 0.860 356 L CB 0.431 42.458 42.059 -0.053 0.000 1.086 356 L HN -0.214 nan 8.230 nan 0.000 0.482 357 E N 0.031 120.169 120.200 -0.103 0.000 2.473 357 E HA 0.128 4.469 4.350 -0.015 0.000 0.204 357 E C 0.119 176.689 176.600 -0.050 0.000 0.994 357 E CA -0.095 56.257 56.400 -0.080 0.000 0.945 357 E CB 0.649 30.194 29.700 -0.259 0.000 0.990 357 E HN 0.136 nan 8.360 nan 0.000 0.493 358 R N -0.038 120.424 120.500 -0.063 0.000 3.776 358 R HA -0.181 4.150 4.340 -0.015 0.000 0.312 358 R C -0.192 176.096 176.300 -0.020 0.000 1.181 358 R CA 0.227 56.313 56.100 -0.024 0.000 0.836 358 R CB -2.849 27.455 30.300 0.006 0.000 1.324 358 R HN 0.100 nan 8.270 nan 0.000 0.501 359 L N 2.507 123.688 121.223 -0.070 0.000 2.461 359 L HA 0.049 4.380 4.340 -0.015 0.000 0.272 359 L C 1.539 178.401 176.870 -0.013 0.000 1.197 359 L CA 0.633 55.440 54.840 -0.054 0.000 0.836 359 L CB 0.302 42.276 42.059 -0.142 0.000 1.105 359 L HN 0.137 nan 8.230 nan 0.000 0.477 360 D N 1.450 121.868 120.400 0.029 0.000 2.357 360 D HA -0.145 4.486 4.640 -0.015 0.000 0.242 360 D C 0.900 177.267 176.300 0.112 0.000 1.153 360 D CA -0.520 53.533 54.000 0.087 0.000 0.918 360 D CB 0.672 41.529 40.800 0.096 0.000 1.181 360 D HN 0.620 nan 8.370 nan 0.000 0.435 361 W N 1.735 123.038 121.300 0.006 0.000 2.315 361 W HA -0.225 4.426 4.660 -0.015 0.000 0.323 361 W C 1.099 177.665 176.519 0.077 0.000 1.233 361 W CA 1.919 59.275 57.345 0.019 0.000 1.267 361 W CB -0.360 29.092 29.460 -0.013 0.000 1.160 361 W HN 0.436 nan 8.180 nan 0.000 0.474 362 D N 0.356 120.969 120.400 0.355 0.000 2.149 362 D HA -0.206 4.425 4.640 -0.015 0.000 0.198 362 D C 1.867 178.271 176.300 0.173 0.000 0.990 362 D CA 1.930 56.106 54.000 0.293 0.000 0.839 362 D CB -0.379 40.561 40.800 0.233 0.000 0.948 362 D HN 0.102 nan 8.370 nan 0.000 0.460 363 K N 1.034 121.491 120.400 0.095 0.000 2.076 363 K HA 0.088 4.399 4.320 -0.015 0.000 0.204 363 K C 1.820 178.403 176.600 -0.029 0.000 1.051 363 K CA 1.255 57.568 56.287 0.043 0.000 0.949 363 K CB -0.489 32.034 32.500 0.038 0.000 0.726 363 K HN -0.022 nan 8.250 nan 0.000 0.443 364 A N 0.950 123.709 122.820 -0.102 0.000 1.883 364 A HA -0.199 4.112 4.320 -0.015 0.000 0.217 364 A C 2.255 179.725 177.584 -0.190 0.000 1.186 364 A CA 1.584 53.486 52.037 -0.225 0.000 0.624 364 A CB -1.337 17.464 19.000 -0.332 0.000 0.822 364 A HN 0.687 nan 8.150 nan 0.000 0.444 365 W N 0.664 121.730 121.300 -0.390 0.000 2.335 365 W HA -0.226 4.425 4.660 -0.015 0.000 0.311 365 W C 2.057 178.508 176.519 -0.113 0.000 1.213 365 W CA 2.103 59.278 57.345 -0.283 0.000 1.274 365 W CB -0.219 29.119 29.460 -0.203 0.000 1.148 365 W HN 0.629 nan 8.180 nan 0.000 0.498 366 E N -0.003 120.180 120.200 -0.027 0.000 2.085 366 E HA -0.240 4.101 4.350 -0.015 0.000 0.194 366 E C 2.029 178.545 176.600 -0.141 0.000 0.994 366 E CA 2.095 58.447 56.400 -0.079 0.000 0.801 366 E CB -0.340 29.375 29.700 0.025 0.000 0.743 366 E HN 0.078 nan 8.360 nan 0.000 0.453 367 V N 0.632 120.474 119.914 -0.120 0.000 2.343 367 V HA -0.255 3.856 4.120 -0.015 0.000 0.247 367 V C 2.384 178.398 176.094 -0.134 0.000 1.051 367 V CA 2.169 64.415 62.300 -0.090 0.000 1.036 367 V CB -0.740 31.018 31.823 -0.110 0.000 0.654 367 V HN 0.386 nan 8.190 nan 0.000 0.451 368 T N 0.023 114.418 114.554 -0.265 0.000 2.674 368 T HA -0.171 4.170 4.350 -0.015 0.000 0.265 368 T C 1.969 176.473 174.700 -0.325 0.000 1.039 368 T CA 1.767 63.682 62.100 -0.308 0.000 1.150 368 T CB -0.283 68.333 68.868 -0.419 0.000 0.864 368 T HN 0.263 nan 8.240 nan 0.000 0.427 369 V N 1.565 121.162 119.914 -0.529 0.000 2.287 369 V HA -0.211 3.900 4.120 -0.015 0.000 0.248 369 V C 2.376 178.425 176.094 -0.075 0.000 1.053 369 V CA 1.726 63.787 62.300 -0.399 0.000 1.027 369 V CB -0.521 31.000 31.823 -0.503 0.000 0.646 369 V HN 0.475 nan 8.190 nan 0.000 0.447 370 K N -0.549 119.793 120.400 -0.098 0.000 2.283 370 K HA -0.107 4.204 4.320 -0.015 0.000 0.202 370 K C 2.090 178.675 176.600 -0.026 0.000 1.048 370 K CA 1.574 57.796 56.287 -0.108 0.000 0.948 370 K CB -0.245 32.185 32.500 -0.118 0.000 0.742 370 K HN 0.475 nan 8.250 nan 0.000 0.458 371 T N 0.187 114.774 114.554 0.056 0.000 2.976 371 T HA 0.015 4.356 4.350 -0.015 0.000 0.257 371 T C 0.870 175.681 174.700 0.185 0.000 1.051 371 T CA 0.429 62.601 62.100 0.119 0.000 1.141 371 T CB 0.112 69.085 68.868 0.174 0.000 0.881 371 T HN 0.174 nan 8.240 nan 0.000 0.461 372 C N 2.272 121.664 119.300 0.153 0.000 2.365 372 C HA 0.894 5.345 4.460 -0.015 0.000 0.351 372 C C 0.532 175.580 174.990 0.097 0.000 1.240 372 C CA -1.289 57.797 59.018 0.113 0.000 2.062 372 C CB 0.288 28.031 27.740 0.005 0.000 2.387 372 C HN 0.572 nan 8.230 nan 0.000 0.537 373 A N 2.023 124.897 122.820 0.090 0.000 2.475 373 A HA 0.776 5.087 4.320 -0.015 0.000 0.301 373 A C -1.565 176.092 177.584 0.121 0.000 1.059 373 A CA -0.427 51.611 52.037 0.001 0.000 0.710 373 A CB 1.056 20.059 19.000 0.005 0.000 1.288 373 A HN 0.946 nan 8.150 nan 0.000 0.408 374 Y N 1.023 121.273 120.300 -0.084 0.000 2.376 374 Y HA 0.637 5.178 4.550 -0.015 0.000 0.340 374 Y C -0.562 175.318 175.900 -0.034 0.000 0.965 374 Y CA -0.326 57.734 58.100 -0.067 0.000 1.078 374 Y CB 2.070 40.443 38.460 -0.144 0.000 1.193 374 Y HN 0.564 nan 8.280 nan 0.000 0.452 375 T N 6.538 120.856 114.554 -0.394 0.000 2.770 375 T HA 0.183 4.524 4.350 -0.015 0.000 0.283 375 T C -0.791 173.415 174.700 -0.822 0.000 0.988 375 T CA -0.831 60.977 62.100 -0.487 0.000 0.957 375 T CB 0.446 69.278 68.868 -0.059 0.000 0.930 375 T HN 0.662 nan 8.240 nan 0.000 0.443 376 N N 1.947 120.143 118.700 -0.840 0.000 2.499 376 N HA 0.109 4.840 4.740 -0.015 0.000 0.281 376 N C -0.012 175.338 175.510 -0.267 0.000 1.098 376 N CA -0.276 52.529 53.050 -0.408 0.000 0.979 376 N CB 0.703 39.152 38.487 -0.064 0.000 1.121 376 N HN 0.675 nan 8.380 nan 0.000 0.466 377 H N 1.120 120.206 119.070 0.027 0.000 2.784 377 H HA 0.176 4.722 4.556 -0.015 0.000 0.273 377 H C -0.226 175.027 175.328 -0.126 0.000 1.112 377 H CA -0.084 55.935 56.048 -0.048 0.000 1.162 377 H CB 1.052 30.795 29.762 -0.033 0.000 1.586 377 H HN 0.524 nan 8.280 nan 0.000 0.548 378 T N 0.187 114.764 114.554 0.037 0.000 2.830 378 T HA 0.232 4.573 4.350 -0.015 0.000 0.322 378 T C 0.399 175.118 174.700 0.031 0.000 1.501 378 T CA -0.308 61.766 62.100 -0.043 0.000 1.036 378 T CB 1.326 70.168 68.868 -0.043 0.000 1.379 378 T HN -0.037 nan 8.240 nan 0.000 0.493 379 V N 1.166 121.054 119.914 -0.043 0.000 3.556 379 V HA 0.550 4.661 4.120 -0.015 0.000 0.287 379 V C 0.778 176.831 176.094 -0.069 0.000 1.422 379 V CA -0.110 62.158 62.300 -0.053 0.000 1.038 379 V CB -0.191 31.605 31.823 -0.046 0.000 0.850 379 V HN 0.712 nan 8.190 nan 0.000 0.437 380 L N 3.493 124.664 121.223 -0.086 0.000 2.562 380 L HA 0.166 4.497 4.340 -0.015 0.000 0.271 380 L C -0.632 176.232 176.870 -0.010 0.000 1.167 380 L CA -0.597 54.221 54.840 -0.036 0.000 0.917 380 L CB 1.014 43.045 42.059 -0.046 0.000 1.187 380 L HN 0.199 nan 8.230 nan 0.000 0.482 381 P HA -0.185 nan 4.420 nan 0.000 0.218 381 P C 0.998 178.284 177.300 -0.024 0.000 1.149 381 P CA 1.067 64.158 63.100 -0.014 0.000 0.817 381 P CB 0.078 31.777 31.700 -0.001 0.000 0.785 382 E N 0.414 120.628 120.200 0.022 0.000 2.418 382 E HA -0.050 4.291 4.350 -0.015 0.000 0.197 382 E C 1.527 178.080 176.600 -0.079 0.000 1.026 382 E CA 0.994 57.385 56.400 -0.016 0.000 0.862 382 E CB -0.678 29.135 29.700 0.187 0.000 0.799 382 E HN 0.192 nan 8.360 nan 0.000 0.518 383 A N 1.172 123.985 122.820 -0.013 0.000 2.220 383 A HA 0.246 4.557 4.320 -0.015 0.000 0.211 383 A C 1.285 178.842 177.584 -0.045 0.000 1.176 383 A CA -0.340 51.708 52.037 0.017 0.000 0.834 383 A CB -0.043 18.994 19.000 0.061 0.000 0.868 383 A HN 0.149 nan 8.150 nan 0.000 0.488 384 L N 1.490 122.639 121.223 -0.124 0.000 2.416 384 L HA 0.122 4.453 4.340 -0.015 0.000 0.272 384 L C -0.032 176.495 176.870 -0.573 0.000 1.161 384 L CA -0.136 54.574 54.840 -0.217 0.000 0.845 384 L CB 0.557 42.523 42.059 -0.155 0.000 1.119 384 L HN 0.341 nan 8.230 nan 0.000 0.464 385 E N 4.024 123.809 120.200 -0.692 0.000 2.217 385 E HA 0.205 4.546 4.350 -0.015 0.000 0.279 385 E C -0.575 175.378 176.600 -1.078 0.000 1.068 385 E CA -0.120 55.420 56.400 -1.433 0.000 0.882 385 E CB 0.691 29.927 29.700 -0.773 0.000 1.039 385 E HN 0.382 nan 8.360 nan 0.000 0.418 386 R N 3.658 123.349 120.500 -1.347 0.000 2.513 386 R HA 0.177 4.508 4.340 -0.015 0.000 0.283 386 R C -1.318 174.826 176.300 -0.261 0.000 1.535 386 R CA -0.527 55.259 56.100 -0.523 0.000 1.315 386 R CB 0.707 30.823 30.300 -0.308 0.000 1.163 386 R HN 0.461 nan 8.270 nan 0.000 0.573 387 W N 4.338 125.609 121.300 -0.049 0.000 2.304 387 W HA 0.238 4.889 4.660 -0.015 0.000 0.313 387 W C -1.836 174.680 176.519 -0.006 0.000 1.323 387 W CA -2.060 55.330 57.345 0.074 0.000 1.223 387 W CB 0.600 30.074 29.460 0.024 0.000 1.237 387 W HN 0.231 nan 8.180 nan 0.000 0.535 388 P HA -0.131 nan 4.420 nan 0.000 0.260 388 P C 0.897 178.154 177.300 -0.072 0.000 1.172 388 P CA 0.392 63.491 63.100 -0.002 0.000 0.760 388 P CB 0.635 32.179 31.700 -0.259 0.000 0.773 389 V N 3.607 123.532 119.914 0.018 0.000 2.380 389 V HA -0.296 3.815 4.120 -0.015 0.000 0.251 389 V C 2.135 178.242 176.094 0.022 0.000 1.063 389 V CA 2.623 64.948 62.300 0.043 0.000 1.055 389 V CB -1.580 30.332 31.823 0.148 0.000 0.657 389 V HN 0.767 nan 8.190 nan 0.000 0.455 390 H N -1.325 117.812 119.070 0.110 0.000 2.423 390 H HA -0.091 4.456 4.556 -0.015 0.000 0.297 390 H C 2.052 177.438 175.328 0.096 0.000 1.075 390 H CA 1.682 57.790 56.048 0.100 0.000 1.342 390 H CB -0.550 29.271 29.762 0.098 0.000 1.395 390 H HN 0.366 nan 8.280 nan 0.000 0.530 391 L N -0.079 120.965 121.223 -0.299 0.000 2.027 391 L HA -0.096 4.235 4.340 -0.015 0.000 0.206 391 L C 2.328 179.156 176.870 -0.071 0.000 1.074 391 L CA 1.021 55.800 54.840 -0.101 0.000 0.745 391 L CB -0.238 41.757 42.059 -0.107 0.000 0.898 391 L HN 0.310 nan 8.230 nan 0.000 0.433 392 L N -0.518 120.640 121.223 -0.109 0.000 2.083 392 L HA -0.255 4.076 4.340 -0.015 0.000 0.209 392 L C 2.471 179.282 176.870 -0.098 0.000 1.083 392 L CA 1.206 55.957 54.840 -0.149 0.000 0.752 392 L CB -0.362 41.597 42.059 -0.167 0.000 0.899 392 L HN 0.306 nan 8.230 nan 0.000 0.433 393 E N -0.600 119.586 120.200 -0.023 0.000 2.058 393 E HA -0.221 4.119 4.350 -0.015 0.000 0.194 393 E C 1.936 178.578 176.600 0.071 0.000 0.997 393 E CA 1.984 58.403 56.400 0.032 0.000 0.801 393 E CB 0.114 29.874 29.700 0.099 0.000 0.746 393 E HN 0.448 nan 8.360 nan 0.000 0.450 394 T N 0.669 115.291 114.554 0.114 0.000 2.851 394 T HA -0.084 4.257 4.350 -0.015 0.000 0.262 394 T C 1.767 176.596 174.700 0.216 0.000 1.043 394 T CA 0.783 63.008 62.100 0.209 0.000 1.140 394 T CB -0.131 68.894 68.868 0.261 0.000 0.872 394 T HN 0.069 nan 8.240 nan 0.000 0.446 395 L N -0.098 121.146 121.223 0.035 0.000 2.127 395 L HA 0.356 4.687 4.340 -0.015 0.000 0.203 395 L C 0.478 177.292 176.870 -0.095 0.000 1.080 395 L CA 1.545 56.291 54.840 -0.157 0.000 0.768 395 L CB 0.074 42.005 42.059 -0.214 0.000 0.924 395 L HN 0.165 nan 8.230 nan 0.000 0.444 396 L N 0.649 121.770 121.223 -0.170 0.000 2.625 396 L HA 0.287 4.618 4.340 -0.015 0.000 0.255 396 L C -1.689 174.984 176.870 -0.329 0.000 1.493 396 L CA -1.003 53.637 54.840 -0.333 0.000 0.796 396 L CB 0.795 42.508 42.059 -0.577 0.000 1.064 396 L HN -0.032 nan 8.230 nan 0.000 0.516 397 P HA -0.222 nan 4.420 nan 0.000 0.216 397 P C 1.501 178.601 177.300 -0.334 0.000 1.153 397 P CA 1.290 64.265 63.100 -0.208 0.000 0.858 397 P CB 0.344 31.999 31.700 -0.075 0.000 0.789 398 R N -0.384 119.727 120.500 -0.648 0.000 2.075 398 R HA -0.153 4.177 4.340 -0.015 0.000 0.232 398 R C 2.377 178.360 176.300 -0.528 0.000 1.126 398 R CA 1.604 57.333 56.100 -0.617 0.000 0.963 398 R CB -1.376 28.408 30.300 -0.860 0.000 0.858 398 R HN 0.227 nan 8.270 nan 0.000 0.435 399 H N -0.122 118.623 119.070 -0.543 0.000 2.352 399 H HA -0.097 4.450 4.556 -0.015 0.000 0.299 399 H C 1.847 176.993 175.328 -0.303 0.000 1.097 399 H CA 1.749 57.566 56.048 -0.386 0.000 1.311 399 H CB -0.161 29.332 29.762 -0.449 0.000 1.377 399 H HN 0.108 nan 8.280 nan 0.000 0.504 400 L N 0.545 121.632 121.223 -0.227 0.000 2.012 400 L HA -0.273 4.058 4.340 -0.015 0.000 0.210 400 L C 1.964 178.613 176.870 -0.368 0.000 1.073 400 L CA 1.682 56.313 54.840 -0.349 0.000 0.748 400 L CB -0.322 41.546 42.059 -0.318 0.000 0.891 400 L HN 0.462 nan 8.230 nan 0.000 0.431 401 Q N -0.361 119.340 119.800 -0.165 0.000 2.084 401 Q HA -0.242 4.089 4.340 -0.015 0.000 0.202 401 Q C 2.164 178.179 176.000 0.026 0.000 0.978 401 Q CA 1.681 57.486 55.803 0.004 0.000 0.844 401 Q CB -0.135 28.622 28.738 0.032 0.000 0.898 401 Q HN 0.536 nan 8.270 nan 0.000 0.426 402 I N 0.425 120.991 120.570 -0.007 0.000 2.286 402 I HA -0.282 3.879 4.170 -0.015 0.000 0.248 402 I C 2.121 178.320 176.117 0.138 0.000 1.115 402 I CA 1.085 62.469 61.300 0.141 0.000 1.392 402 I CB -0.113 37.918 38.000 0.050 0.000 1.065 402 I HN 0.189 nan 8.210 nan 0.000 0.418 403 I N -0.718 119.846 120.570 -0.009 0.000 2.226 403 I HA -0.315 3.846 4.170 -0.015 0.000 0.245 403 I C 2.344 178.486 176.117 0.041 0.000 1.100 403 I CA 1.339 62.625 61.300 -0.023 0.000 1.374 403 I CB -0.392 37.527 38.000 -0.135 0.000 1.057 403 I HN 0.151 nan 8.210 nan 0.000 0.413 404 Y N 0.906 121.215 120.300 0.015 0.000 2.165 404 Y HA -0.289 4.252 4.550 -0.015 0.000 0.286 404 Y C 2.610 178.480 175.900 -0.050 0.000 1.155 404 Y CA 1.602 59.696 58.100 -0.009 0.000 1.164 404 Y CB -0.862 37.584 38.460 -0.023 0.000 0.978 404 Y HN 0.206 nan 8.280 nan 0.000 0.513 405 E N 0.376 120.623 120.200 0.079 0.000 2.077 405 E HA -0.156 4.185 4.350 -0.015 0.000 0.193 405 E C 2.080 178.606 176.600 -0.124 0.000 0.989 405 E CA 1.410 57.714 56.400 -0.159 0.000 0.800 405 E CB -0.545 28.898 29.700 -0.429 0.000 0.746 405 E HN 0.473 nan 8.360 nan 0.000 0.452 406 I N 0.703 121.309 120.570 0.060 0.000 2.208 406 I HA -0.295 3.866 4.170 -0.015 0.000 0.245 406 I C 2.298 178.420 176.117 0.009 0.000 1.097 406 I CA 1.381 62.661 61.300 -0.032 0.000 1.363 406 I CB -0.450 37.535 38.000 -0.025 0.000 1.051 406 I HN 0.215 nan 8.210 nan 0.000 0.413 407 N N 0.793 119.545 118.700 0.087 0.000 2.069 407 N HA -0.272 4.459 4.740 -0.015 0.000 0.191 407 N C 1.863 177.455 175.510 0.136 0.000 1.031 407 N CA 1.618 54.765 53.050 0.162 0.000 0.852 407 N CB -0.173 38.428 38.487 0.191 0.000 1.018 407 N HN 0.348 nan 8.380 nan 0.000 0.423 408 Q N 0.055 119.880 119.800 0.042 0.000 2.030 408 Q HA -0.131 4.199 4.340 -0.015 0.000 0.204 408 Q C 2.002 177.981 176.000 -0.034 0.000 0.986 408 Q CA 1.479 57.270 55.803 -0.019 0.000 0.843 408 Q CB -0.020 28.666 28.738 -0.086 0.000 0.904 408 Q HN 0.373 nan 8.270 nan 0.000 0.420 409 R N -0.703 119.754 120.500 -0.072 0.000 2.115 409 R HA -0.114 4.217 4.340 -0.015 0.000 0.230 409 R C 2.171 178.483 176.300 0.019 0.000 1.111 409 R CA 1.244 57.297 56.100 -0.078 0.000 0.976 409 R CB -0.355 29.847 30.300 -0.164 0.000 0.870 409 R HN 0.287 nan 8.270 nan 0.000 0.445 410 F N 1.450 121.361 119.950 -0.064 0.000 2.113 410 F HA -0.089 4.429 4.527 -0.015 0.000 0.297 410 F C 1.842 177.654 175.800 0.019 0.000 1.103 410 F CA 1.320 59.330 58.000 0.016 0.000 1.248 410 F CB -0.146 38.895 39.000 0.069 0.000 0.999 410 F HN -0.120 nan 8.300 nan 0.000 0.475 411 L N -0.008 121.218 121.223 0.005 0.000 2.201 411 L HA -0.214 4.117 4.340 -0.015 0.000 0.212 411 L C 1.914 178.713 176.870 -0.117 0.000 1.105 411 L CA 1.412 56.197 54.840 -0.090 0.000 0.775 411 L CB -0.843 41.226 42.059 0.017 0.000 0.913 411 L HN 0.265 nan 8.230 nan 0.000 0.440 412 N N -0.206 118.441 118.700 -0.088 0.000 2.188 412 N HA -0.162 4.569 4.740 -0.015 0.000 0.184 412 N C 1.918 177.364 175.510 -0.105 0.000 1.018 412 N CA 0.699 53.699 53.050 -0.084 0.000 0.858 412 N CB 0.009 38.454 38.487 -0.070 0.000 0.989 412 N HN 0.249 nan 8.380 nan 0.000 0.426 413 R N 0.612 121.027 120.500 -0.142 0.000 2.081 413 R HA -0.056 4.275 4.340 -0.015 0.000 0.235 413 R C 2.170 178.352 176.300 -0.196 0.000 1.131 413 R CA 0.885 56.891 56.100 -0.157 0.000 0.960 413 R CB -0.253 29.951 30.300 -0.160 0.000 0.856 413 R HN 0.062 nan 8.270 nan 0.000 0.436 414 V N 0.783 120.524 119.914 -0.289 0.000 2.295 414 V HA -0.260 3.851 4.120 -0.015 0.000 0.246 414 V C 2.404 178.482 176.094 -0.027 0.000 1.049 414 V CA 1.993 64.191 62.300 -0.170 0.000 1.024 414 V CB -0.803 30.853 31.823 -0.278 0.000 0.648 414 V HN 0.440 nan 8.190 nan 0.000 0.447 415 A N 0.106 122.887 122.820 -0.065 0.000 1.917 415 A HA -0.197 4.114 4.320 -0.015 0.000 0.219 415 A C 2.402 179.960 177.584 -0.043 0.000 1.182 415 A CA 2.423 54.440 52.037 -0.033 0.000 0.633 415 A CB -0.830 18.143 19.000 -0.046 0.000 0.819 415 A HN 0.609 nan 8.150 nan 0.000 0.448 416 A N -0.677 122.097 122.820 -0.077 0.000 1.930 416 A HA 0.267 4.578 4.320 -0.015 0.000 0.217 416 A C 2.394 179.888 177.584 -0.151 0.000 1.175 416 A CA 1.848 53.829 52.037 -0.094 0.000 0.627 416 A CB -0.722 18.226 19.000 -0.087 0.000 0.815 416 A HN 1.038 nan 8.150 nan 0.000 0.443 417 A N -1.852 120.835 122.820 -0.221 0.000 2.021 417 A HA 0.385 4.696 4.320 -0.015 0.000 0.216 417 A C 0.445 177.598 177.584 -0.718 0.000 1.163 417 A CA 0.483 52.229 52.037 -0.486 0.000 0.676 417 A CB -0.142 18.498 19.000 -0.601 0.000 0.818 417 A HN 0.406 nan 8.150 nan 0.000 0.453 418 F N 0.054 119.952 119.950 -0.086 0.000 2.584 418 F HA 0.340 4.857 4.527 -0.015 0.000 0.328 418 F C -2.789 172.971 175.800 -0.067 0.000 1.407 418 F CA -2.896 55.059 58.000 -0.076 0.000 1.145 418 F CB 0.807 39.752 39.000 -0.090 0.000 1.440 418 F HN -0.061 nan 8.300 nan 0.000 0.580 419 P HA 0.224 nan 4.420 nan 0.000 0.267 419 P C 1.006 178.324 177.300 0.030 0.000 1.205 419 P CA 0.943 64.052 63.100 0.015 0.000 0.765 419 P CB 0.969 32.660 31.700 -0.016 0.000 0.828 420 G N 2.634 111.444 108.800 0.018 0.000 2.225 420 G HA2 -0.243 3.707 3.960 -0.015 0.000 0.254 420 G HA3 -0.243 3.707 3.960 -0.015 0.000 0.254 420 G C 0.383 175.290 174.900 0.012 0.000 0.988 420 G CA -0.001 45.105 45.100 0.011 0.000 0.625 420 G HN 0.592 nan 8.290 nan 0.000 0.527 421 D N 1.670 122.086 120.400 0.027 0.000 2.545 421 D HA 0.359 4.990 4.640 -0.015 0.000 0.227 421 D C 2.157 178.445 176.300 -0.020 0.000 1.150 421 D CA 0.486 54.487 54.000 0.001 0.000 1.046 421 D CB 0.313 41.112 40.800 -0.002 0.000 1.098 421 D HN 0.635 nan 8.370 nan 0.000 0.502 422 V N 0.550 120.455 119.914 -0.016 0.000 2.515 422 V HA -0.162 3.949 4.120 -0.015 0.000 0.250 422 V C 1.791 177.872 176.094 -0.021 0.000 1.058 422 V CA 1.578 63.868 62.300 -0.016 0.000 1.064 422 V CB -0.471 31.346 31.823 -0.010 0.000 0.675 422 V HN 0.208 nan 8.190 nan 0.000 0.461 423 D N 0.291 120.675 120.400 -0.028 0.000 2.149 423 D HA -0.148 4.483 4.640 -0.015 0.000 0.201 423 D C 2.339 178.610 176.300 -0.048 0.000 0.972 423 D CA 1.191 55.174 54.000 -0.027 0.000 0.835 423 D CB -0.184 40.601 40.800 -0.025 0.000 0.966 423 D HN 0.419 nan 8.370 nan 0.000 0.476 424 R N -0.098 120.348 120.500 -0.089 0.000 2.091 424 R HA -0.118 4.213 4.340 -0.015 0.000 0.238 424 R C 2.240 178.470 176.300 -0.117 0.000 1.136 424 R CA 0.999 57.008 56.100 -0.151 0.000 0.959 424 R CB -0.258 29.893 30.300 -0.249 0.000 0.856 424 R HN 0.263 nan 8.270 nan 0.000 0.437 425 L N 0.454 121.633 121.223 -0.073 0.000 2.012 425 L HA -0.216 4.115 4.340 -0.015 0.000 0.210 425 L C 2.667 179.540 176.870 0.004 0.000 1.073 425 L CA 1.941 56.757 54.840 -0.041 0.000 0.748 425 L CB -0.501 41.543 42.059 -0.025 0.000 0.891 425 L HN 0.312 nan 8.230 nan 0.000 0.431 426 R N 0.020 120.528 120.500 0.014 0.000 2.148 426 R HA -0.084 4.247 4.340 -0.015 0.000 0.223 426 R C 2.135 178.485 176.300 0.085 0.000 1.088 426 R CA 0.883 57.013 56.100 0.050 0.000 0.985 426 R CB -0.452 29.872 30.300 0.041 0.000 0.880 426 R HN 0.202 nan 8.270 nan 0.000 0.451 427 R N 0.103 120.637 120.500 0.057 0.000 2.115 427 R HA 0.133 4.464 4.340 -0.015 0.000 0.226 427 R C 1.926 178.314 176.300 0.147 0.000 1.100 427 R CA 1.614 57.776 56.100 0.103 0.000 0.980 427 R CB -0.142 30.183 30.300 0.040 0.000 0.875 427 R HN 0.318 nan 8.270 nan 0.000 0.445 428 M N 0.072 119.677 119.600 0.008 0.000 2.509 428 M HA 0.055 4.525 4.480 -0.015 0.000 0.250 428 M C 0.786 177.204 176.300 0.196 0.000 1.132 428 M CA -0.016 55.216 55.300 -0.113 0.000 1.080 428 M CB 0.552 32.925 32.600 -0.380 0.000 1.408 428 M HN -0.089 nan 8.290 nan 0.000 0.484 429 S N 1.079 116.927 115.700 0.247 0.000 2.558 429 S HA 0.065 4.526 4.470 -0.015 0.000 0.288 429 S C 1.190 176.046 174.600 0.428 0.000 1.318 429 S CA -0.260 58.119 58.200 0.298 0.000 1.056 429 S CB 0.564 63.887 63.200 0.204 0.000 0.853 429 S HN 0.361 nan 8.310 nan 0.000 0.505 430 L N 4.151 125.576 121.223 0.337 0.000 2.217 430 L HA 0.071 4.402 4.340 -0.015 0.000 0.211 430 L C 0.414 177.402 176.870 0.196 0.000 1.107 430 L CA 0.432 55.433 54.840 0.268 0.000 0.783 430 L CB -0.496 41.661 42.059 0.163 0.000 0.919 430 L HN 0.414 nan 8.230 nan 0.000 0.442 431 V N 0.809 120.848 119.914 0.208 0.000 2.383 431 V HA 0.147 4.258 4.120 -0.015 0.000 0.275 431 V C 0.074 176.263 176.094 0.157 0.000 1.036 431 V CA -0.538 61.873 62.300 0.185 0.000 0.889 431 V CB 1.299 33.260 31.823 0.231 0.000 0.985 431 V HN 0.179 nan 8.190 nan 0.000 0.459 432 E N 3.400 123.673 120.200 0.122 0.000 2.146 432 E HA 0.370 4.710 4.350 -0.015 0.000 0.282 432 E C -0.620 176.036 176.600 0.094 0.000 0.989 432 E CA -0.483 55.977 56.400 0.102 0.000 0.799 432 E CB 1.520 31.261 29.700 0.068 0.000 1.088 432 E HN 0.648 nan 8.360 nan 0.000 0.397 433 E N 1.027 121.278 120.200 0.085 0.000 2.349 433 E HA 0.591 4.931 4.350 -0.015 0.000 0.262 433 E C 0.219 176.858 176.600 0.066 0.000 1.088 433 E CA 0.260 56.704 56.400 0.073 0.000 0.899 433 E CB 1.407 31.142 29.700 0.059 0.000 1.044 433 E HN 0.626 nan 8.360 nan 0.000 0.420 434 G N -0.440 108.398 108.800 0.063 0.000 2.367 434 G HA2 0.337 4.288 3.960 -0.015 0.000 0.272 434 G HA3 0.337 4.288 3.960 -0.015 0.000 0.272 434 G C 0.227 175.163 174.900 0.060 0.000 1.271 434 G CA -0.071 45.064 45.100 0.058 0.000 0.893 434 G HN 0.540 nan 8.290 nan 0.000 0.485 435 A N -0.770 122.085 122.820 0.058 0.000 1.837 435 A HA 0.311 4.622 4.320 -0.015 0.000 0.216 435 A C 1.747 179.377 177.584 0.077 0.000 1.210 435 A CA 3.372 55.444 52.037 0.059 0.000 0.632 435 A CB -1.349 17.684 19.000 0.056 0.000 0.843 435 A HN 2.246 nan 8.150 nan 0.000 0.448 436 V N -2.068 117.905 119.914 0.098 0.000 2.439 436 V HA 0.465 4.576 4.120 -0.015 0.000 0.282 436 V C -0.217 175.956 176.094 0.131 0.000 1.039 436 V CA -1.233 61.152 62.300 0.141 0.000 0.913 436 V CB 0.998 32.938 31.823 0.195 0.000 0.983 436 V HN 0.358 nan 8.190 nan 0.000 0.460 437 K N 4.476 124.962 120.400 0.144 0.000 2.350 437 K HA 0.443 4.754 4.320 -0.015 0.000 0.279 437 K C -0.257 176.422 176.600 0.131 0.000 1.027 437 K CA -0.112 56.255 56.287 0.133 0.000 0.969 437 K CB 0.831 33.420 32.500 0.149 0.000 0.954 437 K HN 0.757 nan 8.250 nan 0.000 0.474 438 R N 1.700 122.265 120.500 0.108 0.000 2.837 438 R HA 0.469 4.800 4.340 -0.015 0.000 0.271 438 R C -0.600 175.746 176.300 0.078 0.000 0.993 438 R CA -1.006 55.146 56.100 0.087 0.000 0.931 438 R CB 1.321 31.651 30.300 0.050 0.000 1.206 438 R HN 0.374 nan 8.270 nan 0.000 0.474 439 I N 1.952 122.563 120.570 0.070 0.000 2.336 439 I HA 0.155 4.316 4.170 -0.015 0.000 0.292 439 I C -0.101 176.005 176.117 -0.019 0.000 0.991 439 I CA -0.702 60.626 61.300 0.047 0.000 1.227 439 I CB 1.117 39.145 38.000 0.046 0.000 1.366 439 I HN 0.493 nan 8.210 nan 0.000 0.466 440 N N 7.025 125.685 118.700 -0.065 0.000 2.415 440 N HA 0.099 4.830 4.740 -0.015 0.000 0.246 440 N C 0.783 176.187 175.510 -0.176 0.000 1.078 440 N CA -0.335 52.588 53.050 -0.212 0.000 0.942 440 N CB 0.961 39.174 38.487 -0.457 0.000 1.140 440 N HN 0.373 nan 8.380 nan 0.000 0.501 441 M N 2.356 121.854 119.600 -0.169 0.000 2.296 441 M HA -0.043 4.428 4.480 -0.015 0.000 0.265 441 M C 1.906 178.052 176.300 -0.257 0.000 1.064 441 M CA 0.664 55.882 55.300 -0.136 0.000 1.109 441 M CB -1.511 31.059 32.600 -0.049 0.000 1.396 441 M HN 0.604 nan 8.290 nan 0.000 0.430 442 A N -0.586 122.064 122.820 -0.282 0.000 1.930 442 A HA -0.166 4.145 4.320 -0.015 0.000 0.217 442 A C 1.986 179.294 177.584 -0.460 0.000 1.175 442 A CA 1.422 53.233 52.037 -0.377 0.000 0.627 442 A CB -1.091 17.879 19.000 -0.050 0.000 0.815 442 A HN 0.595 nan 8.150 nan 0.000 0.443 443 H N -1.081 117.744 119.070 -0.407 0.000 2.389 443 H HA -0.011 4.536 4.556 -0.015 0.000 0.299 443 H C 2.110 177.209 175.328 -0.382 0.000 1.081 443 H CA 0.862 56.643 56.048 -0.446 0.000 1.345 443 H CB -0.033 29.687 29.762 -0.071 0.000 1.393 443 H HN 0.358 nan 8.280 nan 0.000 0.520 444 L N 0.460 121.593 121.223 -0.149 0.000 2.012 444 L HA -0.228 4.103 4.340 -0.015 0.000 0.210 444 L C 2.192 178.923 176.870 -0.232 0.000 1.073 444 L CA 1.387 56.141 54.840 -0.143 0.000 0.748 444 L CB -0.449 41.554 42.059 -0.094 0.000 0.891 444 L HN 0.452 nan 8.230 nan 0.000 0.431 445 C N -0.005 119.047 119.300 -0.413 0.000 2.429 445 C HA -0.160 4.291 4.460 -0.015 0.000 0.277 445 C C 2.681 177.406 174.990 -0.442 0.000 1.262 445 C CA 0.542 59.237 59.018 -0.539 0.000 1.733 445 C CB -0.738 26.289 27.740 -1.188 0.000 2.010 445 C HN 0.512 nan 8.230 nan 0.000 0.483 446 I N 1.444 121.701 120.570 -0.521 0.000 2.202 446 I HA -0.189 3.972 4.170 -0.015 0.000 0.242 446 I C 2.767 178.745 176.117 -0.231 0.000 1.091 446 I CA 1.632 62.687 61.300 -0.408 0.000 1.368 446 I CB -0.582 37.046 38.000 -0.620 0.000 1.058 446 I HN 0.256 nan 8.210 nan 0.000 0.410 447 A N 0.624 123.276 122.820 -0.280 0.000 1.908 447 A HA -0.136 4.174 4.320 -0.015 0.000 0.218 447 A C 2.254 179.905 177.584 0.113 0.000 1.181 447 A CA 1.986 53.906 52.037 -0.196 0.000 0.627 447 A CB -1.276 17.413 19.000 -0.518 0.000 0.818 447 A HN 0.488 nan 8.150 nan 0.000 0.445 448 G N -1.327 107.467 108.800 -0.010 0.000 3.141 448 G HA2 0.392 4.343 3.960 -0.015 0.000 0.218 448 G HA3 0.392 4.343 3.960 -0.015 0.000 0.218 448 G C 0.177 174.911 174.900 -0.277 0.000 1.170 448 G CA 0.561 45.526 45.100 -0.226 0.000 0.769 448 G HN 0.368 nan 8.290 nan 0.000 0.546 449 S N -0.289 115.311 115.700 -0.167 0.000 2.513 449 S HA 0.309 4.770 4.470 -0.015 0.000 0.299 449 S C 0.804 175.360 174.600 -0.073 0.000 1.087 449 S CA -0.695 57.432 58.200 -0.120 0.000 1.012 449 S CB 1.304 64.437 63.200 -0.113 0.000 1.044 449 S HN 0.500 nan 8.310 nan 0.000 0.485 450 H N 0.228 119.269 119.070 -0.048 0.000 2.547 450 H HA 0.422 4.969 4.556 -0.015 0.000 0.272 450 H C 0.215 175.547 175.328 0.006 0.000 0.989 450 H CA 0.468 56.520 56.048 0.007 0.000 1.214 450 H CB 0.117 29.892 29.762 0.021 0.000 1.389 450 H HN 0.522 nan 8.280 nan 0.000 0.577 451 A N 0.815 123.332 122.820 -0.505 0.000 2.549 451 A HA 0.580 4.891 4.320 -0.015 0.000 0.297 451 A C -1.413 175.977 177.584 -0.324 0.000 1.061 451 A CA -0.568 51.235 52.037 -0.390 0.000 0.690 451 A CB 2.333 21.072 19.000 -0.434 0.000 1.287 451 A HN 0.098 nan 8.150 nan 0.000 0.402 452 V N 3.661 123.355 119.914 -0.367 0.000 2.623 452 V HA 0.537 4.648 4.120 -0.015 0.000 0.304 452 V C -0.933 174.980 176.094 -0.301 0.000 1.054 452 V CA -0.784 61.294 62.300 -0.370 0.000 0.882 452 V CB 1.905 33.365 31.823 -0.606 0.000 1.002 452 V HN 1.034 nan 8.190 nan 0.000 0.424 453 N N 3.016 121.557 118.700 -0.264 0.000 2.229 453 N HA 0.619 5.350 4.740 -0.015 0.000 0.298 453 N C -0.241 175.166 175.510 -0.171 0.000 1.114 453 N CA -0.339 52.597 53.050 -0.191 0.000 0.776 453 N CB 2.900 41.250 38.487 -0.227 0.000 1.501 453 N HN 0.649 nan 8.380 nan 0.000 0.474 454 G N -0.702 108.034 108.800 -0.107 0.000 2.537 454 G HA2 0.436 4.387 3.960 -0.015 0.000 0.297 454 G HA3 0.436 4.387 3.960 -0.015 0.000 0.297 454 G C 0.677 175.635 174.900 0.096 0.000 1.310 454 G CA -0.338 44.758 45.100 -0.006 0.000 1.027 454 G HN 0.695 nan 8.290 nan 0.000 0.505 455 V N -4.215 115.872 119.914 0.287 0.000 3.346 455 V HA 0.714 4.825 4.120 -0.015 0.000 0.309 455 V C 0.449 176.626 176.094 0.137 0.000 1.457 455 V CA 0.404 62.791 62.300 0.145 0.000 1.069 455 V CB -0.529 31.333 31.823 0.066 0.000 0.944 455 V HN 1.366 nan 8.190 nan 0.000 0.449 456 A N 0.042 122.953 122.820 0.153 0.000 2.605 456 A HA 0.663 4.973 4.320 -0.015 0.000 0.294 456 A C 0.684 178.318 177.584 0.083 0.000 1.062 456 A CA -0.097 52.007 52.037 0.111 0.000 0.682 456 A CB 1.345 20.400 19.000 0.092 0.000 1.278 456 A HN 0.036 nan 8.150 nan 0.000 0.410 457 R N 0.854 121.381 120.500 0.046 0.000 2.096 457 R HA -0.160 4.171 4.340 -0.015 0.000 0.240 457 R C 1.597 177.894 176.300 -0.005 0.000 1.139 457 R CA 2.287 58.392 56.100 0.007 0.000 0.952 457 R CB -0.209 30.090 30.300 -0.002 0.000 0.854 457 R HN 0.824 nan 8.270 nan 0.000 0.436 458 I N 0.210 120.787 120.570 0.011 0.000 2.315 458 I HA -0.278 3.883 4.170 -0.015 0.000 0.248 458 I C 2.303 178.427 176.117 0.011 0.000 1.117 458 I CA 1.733 63.032 61.300 -0.003 0.000 1.404 458 I CB -0.220 37.777 38.000 -0.004 0.000 1.071 458 I HN 0.345 nan 8.210 nan 0.000 0.419 459 H N 0.345 119.384 119.070 -0.051 0.000 2.326 459 H HA -0.115 4.432 4.556 -0.015 0.000 0.301 459 H C 2.280 177.572 175.328 -0.059 0.000 1.081 459 H CA 2.190 58.202 56.048 -0.059 0.000 1.334 459 H CB -0.257 29.475 29.762 -0.050 0.000 1.385 459 H HN 0.219 nan 8.280 nan 0.000 0.504 460 S N 0.508 116.081 115.700 -0.212 0.000 2.368 460 S HA -0.143 4.318 4.470 -0.015 0.000 0.225 460 S C 1.917 176.398 174.600 -0.199 0.000 1.030 460 S CA 1.277 59.341 58.200 -0.226 0.000 0.999 460 S CB -0.107 63.032 63.200 -0.103 0.000 0.844 460 S HN 0.495 nan 8.310 nan 0.000 0.459 461 E N 1.145 121.250 120.200 -0.158 0.000 2.077 461 E HA -0.057 4.284 4.350 -0.015 0.000 0.193 461 E C 2.033 178.519 176.600 -0.190 0.000 0.989 461 E CA 0.772 57.068 56.400 -0.173 0.000 0.800 461 E CB -0.419 29.209 29.700 -0.119 0.000 0.746 461 E HN 0.518 nan 8.360 nan 0.000 0.452 462 I N 1.004 121.475 120.570 -0.165 0.000 2.361 462 I HA -0.267 3.893 4.170 -0.015 0.000 0.251 462 I C 2.371 178.360 176.117 -0.215 0.000 1.133 462 I CA 0.716 61.922 61.300 -0.157 0.000 1.413 462 I CB -0.206 37.735 38.000 -0.099 0.000 1.073 462 I HN 0.056 nan 8.210 nan 0.000 0.424 463 L N 0.270 121.328 121.223 -0.275 0.000 2.056 463 L HA -0.213 4.118 4.340 -0.015 0.000 0.207 463 L C 2.503 179.257 176.870 -0.194 0.000 1.078 463 L CA 1.521 56.217 54.840 -0.240 0.000 0.749 463 L CB -0.603 41.392 42.059 -0.108 0.000 0.901 463 L HN 0.173 nan 8.230 nan 0.000 0.433 464 K N 0.033 120.241 120.400 -0.319 0.000 2.148 464 K HA -0.143 4.168 4.320 -0.015 0.000 0.204 464 K C 2.083 178.469 176.600 -0.358 0.000 1.050 464 K CA 1.109 57.050 56.287 -0.577 0.000 0.942 464 K CB 0.046 31.980 32.500 -0.943 0.000 0.724 464 K HN 0.219 nan 8.250 nan 0.000 0.446 465 K N -0.306 119.949 120.400 -0.242 0.000 2.323 465 K HA -0.023 4.288 4.320 -0.015 0.000 0.197 465 K C 1.769 178.312 176.600 -0.095 0.000 1.043 465 K CA 1.303 57.503 56.287 -0.145 0.000 0.997 465 K CB 0.558 32.982 32.500 -0.126 0.000 0.807 465 K HN 0.266 nan 8.250 nan 0.000 0.497 466 T N -1.853 112.635 114.554 -0.110 0.000 3.426 466 T HA 0.052 4.393 4.350 -0.015 0.000 0.195 466 T C 1.854 176.507 174.700 -0.078 0.000 0.963 466 T CA 0.023 62.073 62.100 -0.083 0.000 1.154 466 T CB -0.715 68.100 68.868 -0.088 0.000 1.377 466 T HN 0.113 nan 8.240 nan 0.000 0.342 467 I N -1.051 119.408 120.570 -0.185 0.000 2.394 467 I HA 0.295 4.455 4.170 -0.015 0.000 0.251 467 I C 1.388 177.452 176.117 -0.088 0.000 1.136 467 I CA 1.201 62.355 61.300 -0.244 0.000 1.425 467 I CB -0.484 37.233 38.000 -0.473 0.000 1.079 467 I HN 0.246 nan 8.210 nan 0.000 0.425 468 F N 0.809 120.833 119.950 0.122 0.000 2.735 468 F HA 0.342 4.860 4.527 -0.015 0.000 0.304 468 F C 2.005 177.910 175.800 0.175 0.000 1.119 468 F CA -0.642 57.506 58.000 0.245 0.000 1.280 468 F CB 0.138 39.302 39.000 0.274 0.000 0.994 468 F HN -0.087 nan 8.300 nan 0.000 0.520 469 K N 1.150 121.669 120.400 0.197 0.000 2.034 469 K HA -0.245 4.066 4.320 -0.015 0.000 0.214 469 K C 1.355 178.015 176.600 0.101 0.000 1.051 469 K CA 2.341 58.684 56.287 0.094 0.000 0.931 469 K CB -0.065 32.453 32.500 0.031 0.000 0.715 469 K HN 0.158 nan 8.250 nan 0.000 0.446 470 D N -0.243 120.199 120.400 0.071 0.000 2.123 470 D HA -0.170 4.461 4.640 -0.015 0.000 0.196 470 D C 1.829 178.043 176.300 -0.143 0.000 0.992 470 D CA 1.302 55.214 54.000 -0.147 0.000 0.833 470 D CB -0.312 40.315 40.800 -0.289 0.000 0.954 470 D HN 0.258 nan 8.370 nan 0.000 0.455 471 F N -0.287 119.739 119.950 0.127 0.000 2.206 471 F HA -0.132 4.386 4.527 -0.015 0.000 0.298 471 F C 2.340 178.279 175.800 0.232 0.000 1.090 471 F CA 0.480 58.636 58.000 0.261 0.000 1.323 471 F CB -0.667 38.566 39.000 0.389 0.000 1.028 471 F HN -0.039 nan 8.300 nan 0.000 0.492 472 Y N 1.390 121.640 120.300 -0.083 0.000 2.224 472 Y HA -0.215 4.326 4.550 -0.015 0.000 0.289 472 Y C 2.104 177.964 175.900 -0.068 0.000 1.146 472 Y CA 1.693 59.527 58.100 -0.444 0.000 1.182 472 Y CB -0.578 37.426 38.460 -0.760 0.000 0.983 472 Y HN 0.140 nan 8.280 nan 0.000 0.524 473 E N -0.438 119.681 120.200 -0.134 0.000 2.106 473 E HA -0.182 4.159 4.350 -0.015 0.000 0.192 473 E C 2.015 178.668 176.600 0.088 0.000 0.984 473 E CA 1.107 57.451 56.400 -0.092 0.000 0.806 473 E CB -0.281 29.409 29.700 -0.018 0.000 0.750 473 E HN 0.410 nan 8.360 nan 0.000 0.458 474 L N 1.149 122.467 121.223 0.160 0.000 2.027 474 L HA -0.105 4.226 4.340 -0.015 0.000 0.206 474 L C 0.240 177.178 176.870 0.113 0.000 1.074 474 L CA 1.788 56.759 54.840 0.218 0.000 0.745 474 L CB 0.238 42.415 42.059 0.197 0.000 0.898 474 L HN -0.062 nan 8.230 nan 0.000 0.433 475 E N -0.393 119.866 120.200 0.097 0.000 3.132 475 E HA 0.186 4.527 4.350 -0.015 0.000 0.241 475 E C -2.009 174.509 176.600 -0.136 0.000 1.196 475 E CA -1.288 55.067 56.400 -0.075 0.000 0.869 475 E CB 0.813 30.459 29.700 -0.091 0.000 1.387 475 E HN 0.197 nan 8.360 nan 0.000 0.393 476 P HA -0.234 nan 4.420 nan 0.000 0.220 476 P C 1.185 178.582 177.300 0.163 0.000 1.148 476 P CA 1.309 64.289 63.100 -0.200 0.000 0.803 476 P CB -0.077 31.385 31.700 -0.395 0.000 0.782 477 H N 0.143 119.323 119.070 0.185 0.000 2.489 477 H HA 0.068 4.615 4.556 -0.015 0.000 0.293 477 H C 1.421 176.849 175.328 0.168 0.000 1.066 477 H CA 0.768 56.914 56.048 0.163 0.000 1.305 477 H CB -0.577 29.250 29.762 0.108 0.000 1.386 477 H HN 0.148 nan 8.280 nan 0.000 0.551 478 K N 0.314 120.673 120.400 -0.068 0.000 2.217 478 K HA 0.038 4.349 4.320 -0.015 0.000 0.202 478 K C -0.191 176.293 176.600 -0.193 0.000 1.051 478 K CA 0.278 56.489 56.287 -0.125 0.000 0.952 478 K CB 0.117 32.411 32.500 -0.343 0.000 0.736 478 K HN 0.113 nan 8.250 nan 0.000 0.453 479 F N 1.725 121.721 119.950 0.076 0.000 2.411 479 F HA 0.192 4.710 4.527 -0.015 0.000 0.355 479 F C 0.446 176.256 175.800 0.017 0.000 1.117 479 F CA -0.325 57.716 58.000 0.068 0.000 1.139 479 F CB 1.009 40.105 39.000 0.161 0.000 1.120 479 F HN -0.125 nan 8.300 nan 0.000 0.493 480 Q N 1.836 121.668 119.800 0.054 0.000 2.528 480 Q HA 0.348 4.679 4.340 -0.015 0.000 0.289 480 Q C -1.145 174.818 176.000 -0.063 0.000 1.091 480 Q CA -1.242 54.545 55.803 -0.026 0.000 0.797 480 Q CB 3.110 31.779 28.738 -0.116 0.000 1.466 480 Q HN 0.611 nan 8.270 nan 0.000 0.436 481 N N 0.756 119.402 118.700 -0.090 0.000 2.361 481 N HA 0.270 5.001 4.740 -0.015 0.000 0.302 481 N C -1.406 174.003 175.510 -0.167 0.000 1.074 481 N CA -0.382 52.610 53.050 -0.098 0.000 0.850 481 N CB 0.949 39.400 38.487 -0.060 0.000 1.228 481 N HN 0.273 nan 8.380 nan 0.000 0.491 482 K N 2.674 122.975 120.400 -0.165 0.000 2.664 482 K HA 0.185 4.496 4.320 -0.015 0.000 0.234 482 K C -0.967 175.638 176.600 0.009 0.000 0.980 482 K CA -0.500 55.663 56.287 -0.206 0.000 0.996 482 K CB 1.300 33.431 32.500 -0.616 0.000 1.190 482 K HN 0.533 nan 8.250 nan 0.000 0.479 483 T N 2.154 116.730 114.554 0.038 0.000 2.902 483 T HA 0.055 4.396 4.350 -0.015 0.000 0.301 483 T C 0.762 175.591 174.700 0.215 0.000 1.012 483 T CA 0.313 62.487 62.100 0.124 0.000 1.151 483 T CB 0.254 69.192 68.868 0.117 0.000 0.946 483 T HN 0.360 nan 8.240 nan 0.000 0.542 484 N N 0.651 119.500 118.700 0.248 0.000 2.307 484 N HA 0.368 5.099 4.740 -0.015 0.000 0.230 484 N C 0.466 176.168 175.510 0.319 0.000 1.297 484 N CA -0.136 53.095 53.050 0.302 0.000 0.884 484 N CB 0.388 38.991 38.487 0.193 0.000 1.115 484 N HN 0.750 nan 8.380 nan 0.000 0.436 485 G N -0.455 108.550 108.800 0.341 0.000 2.708 485 G HA2 0.637 4.588 3.960 -0.015 0.000 0.289 485 G HA3 0.637 4.588 3.960 -0.015 0.000 0.289 485 G C -1.294 173.746 174.900 0.233 0.000 1.416 485 G CA -0.730 44.552 45.100 0.303 0.000 0.829 485 G HN 0.604 nan 8.290 nan 0.000 0.480 486 I N -2.287 118.404 120.570 0.201 0.000 2.730 486 I HA 0.715 4.876 4.170 -0.015 0.000 0.298 486 I C -0.187 176.093 176.117 0.272 0.000 1.089 486 I CA -0.900 60.512 61.300 0.187 0.000 1.041 486 I CB 2.468 40.462 38.000 -0.010 0.000 1.235 486 I HN 0.473 nan 8.210 nan 0.000 0.423 487 T N 4.907 119.675 114.554 0.356 0.000 2.814 487 T HA 0.322 4.663 4.350 -0.015 0.000 0.297 487 T C -1.383 173.437 174.700 0.200 0.000 0.956 487 T CA -1.442 60.790 62.100 0.220 0.000 1.123 487 T CB 0.694 69.633 68.868 0.119 0.000 0.902 487 T HN 0.636 nan 8.240 nan 0.000 0.528 488 P HA 0.052 nan 4.420 nan 0.000 0.233 488 P C 1.120 178.379 177.300 -0.068 0.000 1.167 488 P CA 0.324 63.457 63.100 0.055 0.000 0.770 488 P CB 0.360 32.075 31.700 0.025 0.000 0.837 489 R N 0.493 120.904 120.500 -0.147 0.000 2.070 489 R HA -0.013 4.317 4.340 -0.015 0.000 0.227 489 R C 2.686 178.854 176.300 -0.220 0.000 1.147 489 R CA 1.592 57.561 56.100 -0.219 0.000 0.924 489 R CB -1.222 28.951 30.300 -0.212 0.000 0.827 489 R HN 0.025 nan 8.270 nan 0.000 0.431 490 R N -0.773 119.537 120.500 -0.316 0.000 2.091 490 R HA -0.149 4.182 4.340 -0.015 0.000 0.238 490 R C 1.241 177.182 176.300 -0.598 0.000 1.136 490 R CA 1.882 57.629 56.100 -0.588 0.000 0.959 490 R CB -0.207 29.515 30.300 -0.965 0.000 0.856 490 R HN 0.322 nan 8.270 nan 0.000 0.437 491 W N -0.671 120.579 121.300 -0.083 0.000 3.290 491 W HA 0.155 4.805 4.660 -0.016 0.000 0.287 491 W C 1.058 177.540 176.519 -0.062 0.000 1.288 491 W CA -0.718 56.577 57.345 -0.083 0.000 1.725 491 W CB 0.418 29.833 29.460 -0.074 0.000 1.103 491 W HN 0.217 nan 8.180 nan 0.000 0.670 492 L N -2.041 119.230 121.223 0.081 0.000 2.865 492 L HA 0.197 4.528 4.340 -0.015 0.000 0.167 492 L C 1.876 178.752 176.870 0.010 0.000 1.135 492 L CA 0.805 55.686 54.840 0.069 0.000 0.895 492 L CB -0.918 41.210 42.059 0.114 0.000 1.643 492 L HN -0.252 nan 8.230 nan 0.000 0.518 493 V N 1.181 121.075 119.914 -0.033 0.000 2.282 493 V HA -0.304 3.806 4.120 -0.015 0.000 0.249 493 V C 2.470 178.528 176.094 -0.061 0.000 1.057 493 V CA 2.562 64.833 62.300 -0.049 0.000 1.032 493 V CB -0.757 31.002 31.823 -0.106 0.000 0.645 493 V HN 0.534 nan 8.190 nan 0.000 0.447 494 L N 0.436 121.593 121.223 -0.111 0.000 2.023 494 L HA -0.175 4.155 4.340 -0.015 0.000 0.205 494 L C 2.520 179.320 176.870 -0.116 0.000 1.073 494 L CA 2.399 57.160 54.840 -0.132 0.000 0.745 494 L CB -0.283 41.648 42.059 -0.213 0.000 0.900 494 L HN 0.650 nan 8.230 nan 0.000 0.435 495 C N -1.636 117.588 119.300 -0.125 0.000 2.533 495 C HA 0.182 4.633 4.460 -0.015 0.000 0.272 495 C C 1.230 176.199 174.990 -0.036 0.000 1.371 495 C CA -0.239 58.726 59.018 -0.089 0.000 1.758 495 C CB -1.043 26.646 27.740 -0.085 0.000 1.972 495 C HN 0.598 nan 8.230 nan 0.000 0.522 496 N N 1.277 119.967 118.700 -0.017 0.000 2.765 496 N HA 0.300 5.031 4.740 -0.015 0.000 0.277 496 N C -1.756 173.762 175.510 0.013 0.000 1.750 496 N CA -1.728 51.324 53.050 0.004 0.000 0.827 496 N CB 0.820 39.319 38.487 0.020 0.000 1.200 496 N HN 0.249 nan 8.380 nan 0.000 0.494 497 P HA -0.043 nan 4.420 nan 0.000 0.217 497 P C 1.423 178.736 177.300 0.022 0.000 1.150 497 P CA 0.949 64.056 63.100 0.012 0.000 0.832 497 P CB 0.217 31.917 31.700 -0.000 0.000 0.787 498 G N 0.692 109.500 108.800 0.014 0.000 2.476 498 G HA2 -0.264 3.687 3.960 -0.015 0.000 0.218 498 G HA3 -0.264 3.687 3.960 -0.015 0.000 0.218 498 G C 1.538 176.446 174.900 0.014 0.000 1.164 498 G CA 0.824 45.930 45.100 0.011 0.000 0.768 498 G HN 0.253 nan 8.290 nan 0.000 0.560 499 L N 1.250 122.483 121.223 0.017 0.000 2.072 499 L HA 0.277 4.608 4.340 -0.015 0.000 0.205 499 L C 3.064 179.968 176.870 0.057 0.000 1.079 499 L CA 1.968 56.820 54.840 0.019 0.000 0.752 499 L CB -0.784 41.287 42.059 0.019 0.000 0.906 499 L HN 0.234 nan 8.230 nan 0.000 0.436 500 A N -0.815 122.058 122.820 0.088 0.000 1.940 500 A HA -0.249 4.062 4.320 -0.015 0.000 0.219 500 A C 2.249 179.932 177.584 0.165 0.000 1.176 500 A CA 1.834 53.975 52.037 0.174 0.000 0.631 500 A CB -0.612 18.474 19.000 0.142 0.000 0.814 500 A HN 0.533 nan 8.150 nan 0.000 0.446 501 E N 0.533 120.789 120.200 0.093 0.000 2.046 501 E HA -0.122 4.219 4.350 -0.015 0.000 0.190 501 E C 1.813 178.453 176.600 0.067 0.000 0.982 501 E CA 1.420 57.865 56.400 0.075 0.000 0.800 501 E CB -0.489 29.237 29.700 0.043 0.000 0.756 501 E HN 0.742 nan 8.360 nan 0.000 0.449 502 I N -1.852 118.753 120.570 0.059 0.000 2.493 502 I HA -0.079 4.082 4.170 -0.015 0.000 0.254 502 I C 2.051 178.242 176.117 0.123 0.000 1.160 502 I CA 0.970 62.319 61.300 0.080 0.000 1.445 502 I CB -0.249 37.781 38.000 0.050 0.000 1.086 502 I HN 0.003 nan 8.210 nan 0.000 0.433 503 I N 1.789 122.405 120.570 0.077 0.000 2.277 503 I HA -0.133 4.028 4.170 -0.015 0.000 0.243 503 I C 2.974 179.031 176.117 -0.100 0.000 1.094 503 I CA 1.200 62.466 61.300 -0.057 0.000 1.393 503 I CB -0.430 37.425 38.000 -0.241 0.000 1.078 503 I HN 0.285 nan 8.210 nan 0.000 0.417 504 A N 0.408 123.269 122.820 0.068 0.000 1.933 504 A HA -0.244 4.067 4.320 -0.015 0.000 0.218 504 A C 2.159 179.770 177.584 0.044 0.000 1.175 504 A CA 1.704 53.831 52.037 0.149 0.000 0.628 504 A CB -0.614 18.509 19.000 0.205 0.000 0.814 504 A HN 0.416 nan 8.150 nan 0.000 0.444 505 E N -0.627 119.585 120.200 0.018 0.000 2.097 505 E HA -0.229 4.112 4.350 -0.015 0.000 0.196 505 E C 2.312 178.877 176.600 -0.059 0.000 1.000 505 E CA 1.531 57.928 56.400 -0.005 0.000 0.804 505 E CB -0.044 29.662 29.700 0.009 0.000 0.740 505 E HN 0.505 nan 8.360 nan 0.000 0.454 506 R N -0.065 120.336 120.500 -0.165 0.000 2.090 506 R HA 0.053 4.383 4.340 -0.015 0.000 0.219 506 R C 2.320 178.517 176.300 -0.172 0.000 1.100 506 R CA 0.981 56.904 56.100 -0.294 0.000 0.991 506 R CB -0.282 29.492 30.300 -0.875 0.000 0.893 506 R HN 0.357 nan 8.270 nan 0.000 0.443 507 I N -2.983 117.499 120.570 -0.147 0.000 4.154 507 I HA 0.433 4.594 4.170 -0.015 0.000 0.334 507 I C 0.468 176.612 176.117 0.046 0.000 1.371 507 I CA 0.075 61.342 61.300 -0.054 0.000 1.110 507 I CB 0.825 38.765 38.000 -0.101 0.000 1.085 507 I HN 0.174 nan 8.210 nan 0.000 0.398 508 G N 2.019 110.860 108.800 0.068 0.000 2.725 508 G HA2 -0.231 3.720 3.960 -0.015 0.000 0.220 508 G HA3 -0.231 3.720 3.960 -0.015 0.000 0.220 508 G C -0.010 175.023 174.900 0.221 0.000 1.357 508 G CA 0.243 45.410 45.100 0.112 0.000 0.866 508 G HN 0.444 nan 8.290 nan 0.000 0.548 509 E N -0.209 120.076 120.200 0.141 0.000 2.476 509 E HA 0.114 4.455 4.350 -0.015 0.000 0.199 509 E C 2.015 178.583 176.600 -0.053 0.000 1.021 509 E CA 0.339 56.772 56.400 0.054 0.000 0.907 509 E CB 0.301 30.021 29.700 0.034 0.000 0.974 509 E HN 0.636 nan 8.360 nan 0.000 0.489 510 E N 0.292 120.524 120.200 0.053 0.000 2.204 510 E HA -0.213 4.128 4.350 -0.015 0.000 0.195 510 E C 1.616 178.215 176.600 -0.002 0.000 0.990 510 E CA 1.124 57.545 56.400 0.034 0.000 0.821 510 E CB -0.155 29.585 29.700 0.068 0.000 0.750 510 E HN 0.473 nan 8.360 nan 0.000 0.477 511 Y N -0.680 119.623 120.300 0.005 0.000 2.421 511 Y HA -0.049 4.493 4.550 -0.013 0.000 0.292 511 Y C 1.715 177.591 175.900 -0.040 0.000 1.136 511 Y CA 0.479 58.573 58.100 -0.010 0.000 1.255 511 Y CB -0.503 37.953 38.460 -0.007 0.000 0.991 511 Y HN -0.057 nan 8.280 nan 0.000 0.552 512 I N 0.916 120.978 120.570 -0.846 0.000 2.361 512 I HA -0.238 3.923 4.170 -0.015 0.000 0.251 512 I C 1.591 177.440 176.117 -0.446 0.000 1.133 512 I CA 1.819 62.670 61.300 -0.748 0.000 1.413 512 I CB -0.355 37.120 38.000 -0.875 0.000 1.073 512 I HN 0.443 nan 8.210 nan 0.000 0.424 513 S N -1.919 113.635 115.700 -0.244 0.000 2.664 513 S HA 0.205 4.666 4.470 -0.015 0.000 0.245 513 S C 0.089 174.674 174.600 -0.024 0.000 1.019 513 S CA -0.486 57.656 58.200 -0.096 0.000 0.996 513 S CB 0.305 63.527 63.200 0.035 0.000 0.878 513 S HN 0.288 nan 8.310 nan 0.000 0.493 514 D N 0.665 121.056 120.400 -0.014 0.000 2.934 514 D HA 0.218 4.849 4.640 -0.015 0.000 0.249 514 D C 0.347 176.691 176.300 0.073 0.000 1.293 514 D CA -0.364 53.654 54.000 0.030 0.000 0.812 514 D CB 0.282 41.105 40.800 0.038 0.000 1.439 514 D HN 0.090 nan 8.370 nan 0.000 0.555 515 L N 1.170 122.436 121.223 0.072 0.000 2.265 515 L HA -0.031 4.300 4.340 -0.015 0.000 0.215 515 L C 1.480 178.407 176.870 0.095 0.000 1.117 515 L CA 1.614 56.529 54.840 0.124 0.000 0.782 515 L CB -0.081 42.043 42.059 0.108 0.000 0.914 515 L HN 0.282 nan 8.230 nan 0.000 0.441 516 D N -0.717 119.713 120.400 0.050 0.000 2.190 516 D HA -0.249 4.382 4.640 -0.015 0.000 0.200 516 D C 1.944 178.267 176.300 0.037 0.000 0.992 516 D CA 1.014 55.029 54.000 0.025 0.000 0.854 516 D CB -0.002 40.800 40.800 0.003 0.000 0.936 516 D HN 0.555 nan 8.370 nan 0.000 0.462 517 Q N 0.010 119.849 119.800 0.065 0.000 2.368 517 Q HA -0.091 4.240 4.340 -0.015 0.000 0.210 517 Q C 2.347 178.362 176.000 0.026 0.000 0.982 517 Q CA 0.306 56.147 55.803 0.063 0.000 0.884 517 Q CB -0.059 28.747 28.738 0.113 0.000 0.933 517 Q HN 0.405 nan 8.270 nan 0.000 0.460 518 L N 0.081 121.315 121.223 0.018 0.000 2.261 518 L HA -0.211 4.120 4.340 -0.015 0.000 0.216 518 L C 2.314 179.175 176.870 -0.015 0.000 1.114 518 L CA 0.916 55.729 54.840 -0.046 0.000 0.777 518 L CB -0.397 41.651 42.059 -0.018 0.000 0.910 518 L HN 0.232 nan 8.230 nan 0.000 0.440 519 R N 0.419 120.923 120.500 0.008 0.000 2.117 519 R HA -0.209 4.122 4.340 -0.015 0.000 0.243 519 R C 2.156 178.464 176.300 0.013 0.000 1.143 519 R CA 1.326 57.434 56.100 0.012 0.000 0.968 519 R CB -0.259 30.046 30.300 0.008 0.000 0.863 519 R HN 0.403 nan 8.270 nan 0.000 0.444 520 K N 0.583 120.989 120.400 0.009 0.000 2.286 520 K HA -0.141 4.169 4.320 -0.015 0.000 0.203 520 K C 1.912 178.559 176.600 0.078 0.000 1.045 520 K CA 0.989 57.293 56.287 0.029 0.000 0.935 520 K CB -0.160 32.358 32.500 0.030 0.000 0.737 520 K HN 0.244 nan 8.250 nan 0.000 0.460 521 L N 0.540 121.779 121.223 0.026 0.000 2.362 521 L HA -0.157 4.174 4.340 -0.015 0.000 0.219 521 L C 1.911 178.851 176.870 0.117 0.000 1.134 521 L CA 0.114 54.974 54.840 0.034 0.000 0.807 521 L CB -0.311 41.729 42.059 -0.031 0.000 0.927 521 L HN 0.145 nan 8.230 nan 0.000 0.447 522 L N 0.124 121.388 121.223 0.068 0.000 2.127 522 L HA -0.186 4.145 4.340 -0.015 0.000 0.211 522 L C 2.689 179.562 176.870 0.005 0.000 1.089 522 L CA 1.983 56.850 54.840 0.044 0.000 0.757 522 L CB -1.025 41.045 42.059 0.018 0.000 0.899 522 L HN 0.360 nan 8.230 nan 0.000 0.434 523 S N -2.740 112.925 115.700 -0.058 0.000 2.660 523 S HA -0.068 4.393 4.470 -0.015 0.000 0.223 523 S C 1.202 175.557 174.600 -0.408 0.000 0.963 523 S CA 0.190 58.257 58.200 -0.221 0.000 0.932 523 S CB -0.558 62.468 63.200 -0.290 0.000 0.775 523 S HN 0.457 nan 8.310 nan 0.000 0.531 524 Y N -0.485 119.750 120.300 -0.109 0.000 2.531 524 Y HA 0.415 4.963 4.550 -0.004 0.000 0.249 524 Y C 1.954 177.893 175.900 0.066 0.000 1.168 524 Y CA -0.543 57.489 58.100 -0.112 0.000 1.226 524 Y CB 0.200 38.378 38.460 -0.470 0.000 1.177 524 Y HN 0.253 nan 8.280 nan 0.000 0.527 525 V N 0.476 120.484 119.914 0.156 0.000 2.594 525 V HA -0.229 3.882 4.120 -0.015 0.000 0.253 525 V C 1.007 177.173 176.094 0.121 0.000 1.069 525 V CA 2.310 64.701 62.300 0.152 0.000 1.082 525 V CB -0.014 31.860 31.823 0.084 0.000 0.680 525 V HN 0.360 nan 8.190 nan 0.000 0.469 526 D N -0.855 119.594 120.400 0.081 0.000 2.398 526 D HA 0.100 4.731 4.640 -0.015 0.000 0.210 526 D C 0.452 176.799 176.300 0.077 0.000 1.094 526 D CA -0.010 54.026 54.000 0.060 0.000 0.839 526 D CB 0.070 40.882 40.800 0.019 0.000 0.963 526 D HN 0.446 nan 8.370 nan 0.000 0.506 527 D N 1.587 122.067 120.400 0.134 0.000 2.338 527 D HA -0.035 4.596 4.640 -0.015 0.000 0.255 527 D C 1.178 177.589 176.300 0.186 0.000 1.237 527 D CA 0.051 54.154 54.000 0.171 0.000 0.883 527 D CB 1.558 42.531 40.800 0.289 0.000 1.087 527 D HN -0.148 nan 8.370 nan 0.000 0.485 528 E N 3.446 123.717 120.200 0.118 0.000 2.085 528 E HA -0.177 4.164 4.350 -0.015 0.000 0.194 528 E C 1.763 178.421 176.600 0.096 0.000 0.994 528 E CA 1.600 58.053 56.400 0.089 0.000 0.801 528 E CB -0.020 29.714 29.700 0.057 0.000 0.743 528 E HN 0.589 nan 8.360 nan 0.000 0.453 529 A N -0.205 122.687 122.820 0.121 0.000 1.877 529 A HA -0.153 4.158 4.320 -0.015 0.000 0.216 529 A C 2.247 179.919 177.584 0.146 0.000 1.186 529 A CA 1.429 53.534 52.037 0.114 0.000 0.620 529 A CB -1.032 18.040 19.000 0.119 0.000 0.822 529 A HN 0.463 nan 8.150 nan 0.000 0.443 530 F N 0.410 120.386 119.950 0.042 0.000 2.134 530 F HA -0.167 4.351 4.527 -0.014 0.000 0.299 530 F C 2.051 177.863 175.800 0.020 0.000 1.097 530 F CA 1.685 59.696 58.000 0.018 0.000 1.264 530 F CB -0.130 38.896 39.000 0.044 0.000 1.001 530 F HN 0.173 nan 8.300 nan 0.000 0.479 531 I N 0.260 120.858 120.570 0.046 0.000 2.151 531 I HA -0.375 3.786 4.170 -0.015 0.000 0.243 531 I C 2.608 178.672 176.117 -0.089 0.000 1.080 531 I CA 1.819 63.092 61.300 -0.045 0.000 1.339 531 I CB -0.536 37.487 38.000 0.038 0.000 1.039 531 I HN 0.117 nan 8.210 nan 0.000 0.409 532 R N 0.869 121.344 120.500 -0.042 0.000 2.081 532 R HA -0.201 4.130 4.340 -0.015 0.000 0.235 532 R C 1.858 178.109 176.300 -0.081 0.000 1.131 532 R CA 2.006 58.079 56.100 -0.045 0.000 0.960 532 R CB -0.157 30.137 30.300 -0.011 0.000 0.856 532 R HN 0.295 nan 8.270 nan 0.000 0.436 533 D N -0.260 120.071 120.400 -0.115 0.000 2.097 533 D HA -0.110 4.521 4.640 -0.015 0.000 0.197 533 D C 1.972 178.144 176.300 -0.214 0.000 0.984 533 D CA 1.251 55.168 54.000 -0.139 0.000 0.826 533 D CB -0.192 40.541 40.800 -0.112 0.000 0.973 533 D HN 0.086 nan 8.370 nan 0.000 0.460 534 V N 1.511 121.199 119.914 -0.377 0.000 2.287 534 V HA -0.255 3.856 4.120 -0.015 0.000 0.248 534 V C 2.518 178.518 176.094 -0.156 0.000 1.053 534 V CA 1.948 64.044 62.300 -0.340 0.000 1.027 534 V CB -0.828 30.708 31.823 -0.479 0.000 0.646 534 V HN 0.190 nan 8.190 nan 0.000 0.447 535 A N -0.570 122.178 122.820 -0.119 0.000 1.969 535 A HA -0.236 4.075 4.320 -0.015 0.000 0.218 535 A C 2.359 179.906 177.584 -0.061 0.000 1.169 535 A CA 2.039 54.040 52.037 -0.060 0.000 0.635 535 A CB -0.433 18.536 19.000 -0.052 0.000 0.810 535 A HN 0.534 nan 8.150 nan 0.000 0.445 536 K N -0.236 120.123 120.400 -0.069 0.000 2.062 536 K HA -0.050 4.261 4.320 -0.015 0.000 0.205 536 K C 1.836 178.408 176.600 -0.046 0.000 1.051 536 K CA 1.361 57.617 56.287 -0.053 0.000 0.941 536 K CB -0.243 32.229 32.500 -0.047 0.000 0.719 536 K HN 0.207 nan 8.250 nan 0.000 0.440 537 V N 1.964 121.846 119.914 -0.055 0.000 2.255 537 V HA -0.282 3.828 4.120 -0.015 0.000 0.247 537 V C 2.414 178.493 176.094 -0.025 0.000 1.051 537 V CA 2.131 64.408 62.300 -0.038 0.000 1.018 537 V CB -0.501 31.293 31.823 -0.048 0.000 0.641 537 V HN 0.366 nan 8.190 nan 0.000 0.445 538 K N 0.183 120.567 120.400 -0.027 0.000 2.044 538 K HA -0.253 4.058 4.320 -0.015 0.000 0.210 538 K C 2.181 178.754 176.600 -0.045 0.000 1.049 538 K CA 1.930 58.208 56.287 -0.016 0.000 0.927 538 K CB -0.601 31.906 32.500 0.012 0.000 0.713 538 K HN 0.367 nan 8.250 nan 0.000 0.443 539 Q N 0.926 120.693 119.800 -0.056 0.000 2.096 539 Q HA -0.136 4.194 4.340 -0.015 0.000 0.204 539 Q C 1.788 177.764 176.000 -0.040 0.000 0.982 539 Q CA 2.084 57.845 55.803 -0.071 0.000 0.850 539 Q CB -0.133 28.567 28.738 -0.063 0.000 0.901 539 Q HN 0.509 nan 8.270 nan 0.000 0.422 540 E N -0.550 119.638 120.200 -0.019 0.000 2.077 540 E HA -0.175 4.166 4.350 -0.015 0.000 0.193 540 E C 1.755 178.373 176.600 0.029 0.000 0.989 540 E CA 1.034 57.437 56.400 0.005 0.000 0.800 540 E CB -0.102 29.599 29.700 0.003 0.000 0.746 540 E HN 0.391 nan 8.360 nan 0.000 0.452 541 N N 0.974 119.689 118.700 0.025 0.000 2.120 541 N HA -0.138 4.593 4.740 -0.015 0.000 0.188 541 N C 1.527 177.107 175.510 0.116 0.000 1.024 541 N CA 1.087 54.172 53.050 0.059 0.000 0.852 541 N CB -0.098 38.409 38.487 0.034 0.000 1.003 541 N HN 0.143 nan 8.380 nan 0.000 0.424 542 K N 0.524 120.948 120.400 0.040 0.000 2.057 542 K HA 0.021 4.332 4.320 -0.015 0.000 0.206 542 K C 2.127 178.831 176.600 0.172 0.000 1.050 542 K CA 0.590 56.895 56.287 0.030 0.000 0.935 542 K CB -0.160 32.072 32.500 -0.447 0.000 0.715 542 K HN 0.103 nan 8.250 nan 0.000 0.439 543 L N 1.321 122.595 121.223 0.085 0.000 2.017 543 L HA -0.215 4.115 4.340 -0.015 0.000 0.208 543 L C 2.652 179.608 176.870 0.142 0.000 1.073 543 L CA 1.397 56.297 54.840 0.101 0.000 0.745 543 L CB -0.340 41.751 42.059 0.052 0.000 0.894 543 L HN 0.171 nan 8.230 nan 0.000 0.432 544 K N -0.448 120.041 120.400 0.148 0.000 2.063 544 K HA -0.248 4.063 4.320 -0.015 0.000 0.208 544 K C 2.168 178.913 176.600 0.242 0.000 1.048 544 K CA 1.695 58.079 56.287 0.161 0.000 0.928 544 K CB -0.150 32.432 32.500 0.137 0.000 0.713 544 K HN 0.099 nan 8.250 nan 0.000 0.442 545 F N 0.967 121.013 119.950 0.161 0.000 2.206 545 F HA -0.010 4.508 4.527 -0.015 0.000 0.298 545 F C 2.001 177.947 175.800 0.244 0.000 1.090 545 F CA 1.039 59.166 58.000 0.212 0.000 1.323 545 F CB -0.325 38.808 39.000 0.221 0.000 1.028 545 F HN 0.058 nan 8.300 nan 0.000 0.492 546 A N 0.329 123.305 122.820 0.261 0.000 1.908 546 A HA -0.104 4.207 4.320 -0.015 0.000 0.218 546 A C 2.424 180.001 177.584 -0.013 0.000 1.181 546 A CA 1.842 53.954 52.037 0.126 0.000 0.627 546 A CB -1.500 17.632 19.000 0.220 0.000 0.818 546 A HN 0.448 nan 8.150 nan 0.000 0.445 547 A N -1.406 121.432 122.820 0.029 0.000 1.877 547 A HA -0.133 4.178 4.320 -0.015 0.000 0.216 547 A C 2.153 179.709 177.584 -0.046 0.000 1.186 547 A CA 1.644 53.676 52.037 -0.009 0.000 0.620 547 A CB -0.946 18.077 19.000 0.039 0.000 0.822 547 A HN 0.774 nan 8.150 nan 0.000 0.443 548 Y N 0.557 120.774 120.300 -0.139 0.000 2.207 548 Y HA -0.207 4.334 4.550 -0.015 0.000 0.287 548 Y C 1.926 177.700 175.900 -0.210 0.000 1.156 548 Y CA 1.931 59.930 58.100 -0.168 0.000 1.182 548 Y CB -0.214 38.145 38.460 -0.169 0.000 0.979 548 Y HN 0.229 nan 8.280 nan 0.000 0.521 549 L N -0.203 120.857 121.223 -0.271 0.000 2.093 549 L HA -0.181 4.150 4.340 -0.015 0.000 0.208 549 L C 2.342 179.087 176.870 -0.208 0.000 1.085 549 L CA 1.640 56.336 54.840 -0.241 0.000 0.755 549 L CB -0.494 41.400 42.059 -0.275 0.000 0.904 549 L HN 0.286 nan 8.230 nan 0.000 0.435 550 E N -0.141 119.904 120.200 -0.257 0.000 2.047 550 E HA -0.183 4.158 4.350 -0.015 0.000 0.191 550 E C 2.343 178.806 176.600 -0.230 0.000 0.987 550 E CA 0.908 57.122 56.400 -0.310 0.000 0.799 550 E CB 0.016 29.463 29.700 -0.422 0.000 0.752 550 E HN 0.382 nan 8.360 nan 0.000 0.449 551 R N 0.721 121.079 120.500 -0.236 0.000 2.070 551 R HA -0.146 4.185 4.340 -0.015 0.000 0.232 551 R C 2.094 178.208 176.300 -0.310 0.000 1.138 551 R CA 1.427 57.393 56.100 -0.223 0.000 0.936 551 R CB -0.133 30.053 30.300 -0.189 0.000 0.839 551 R HN 0.015 nan 8.270 nan 0.000 0.429 552 E N -1.403 118.479 120.200 -0.530 0.000 2.442 552 E HA -0.029 4.312 4.350 -0.015 0.000 0.195 552 E C 0.212 176.287 176.600 -0.875 0.000 1.030 552 E CA 0.701 56.644 56.400 -0.762 0.000 0.869 552 E CB 0.468 29.484 29.700 -1.139 0.000 0.857 552 E HN 0.352 nan 8.360 nan 0.000 0.505 553 Y N -0.646 119.506 120.300 -0.246 0.000 2.666 553 Y HA 0.239 4.780 4.550 -0.015 0.000 0.260 553 Y C -0.123 175.724 175.900 -0.088 0.000 1.089 553 Y CA -0.604 57.411 58.100 -0.142 0.000 1.246 553 Y CB 0.852 39.230 38.460 -0.137 0.000 1.353 553 Y HN -0.266 nan 8.280 nan 0.000 0.558 554 K N 0.449 120.849 120.400 0.001 0.000 3.096 554 K HA -0.126 4.185 4.320 -0.015 0.000 0.266 554 K C -0.562 176.093 176.600 0.092 0.000 1.043 554 K CA 0.855 57.164 56.287 0.036 0.000 0.758 554 K CB -2.424 30.116 32.500 0.066 0.000 1.260 554 K HN 0.253 nan 8.250 nan 0.000 0.481 555 V N -2.257 117.664 119.914 0.012 0.000 2.588 555 V HA 0.579 4.690 4.120 -0.015 0.000 0.304 555 V C -0.140 175.925 176.094 -0.049 0.000 1.042 555 V CA -0.988 61.343 62.300 0.053 0.000 0.877 555 V CB 1.904 33.739 31.823 0.019 0.000 0.996 555 V HN 0.263 nan 8.190 nan 0.000 0.425 556 H N 5.263 124.325 119.070 -0.014 0.000 2.581 556 H HA 0.742 5.288 4.556 -0.015 0.000 0.308 556 H C 0.058 175.384 175.328 -0.004 0.000 1.040 556 H CA -0.212 55.833 56.048 -0.005 0.000 1.231 556 H CB 1.288 31.051 29.762 0.002 0.000 1.396 556 H HN 0.947 nan 8.280 nan 0.000 0.467 557 I N -0.560 120.051 120.570 0.069 0.000 2.693 557 I HA 0.478 4.639 4.170 -0.015 0.000 0.303 557 I C 0.018 176.210 176.117 0.125 0.000 1.025 557 I CA -1.359 59.984 61.300 0.072 0.000 1.086 557 I CB 1.874 39.888 38.000 0.023 0.000 1.268 557 I HN 0.289 nan 8.210 nan 0.000 0.440 558 N N 4.773 123.552 118.700 0.133 0.000 2.401 558 N HA 0.328 5.059 4.740 -0.015 0.000 0.255 558 N C -1.982 173.663 175.510 0.225 0.000 1.110 558 N CA -2.387 50.748 53.050 0.142 0.000 0.949 558 N CB 0.894 39.439 38.487 0.097 0.000 1.110 558 N HN 0.396 nan 8.380 nan 0.000 0.490 559 P HA 0.071 nan 4.420 nan 0.000 0.237 559 P C -0.159 177.114 177.300 -0.045 0.000 1.178 559 P CA 0.847 64.009 63.100 0.103 0.000 0.766 559 P CB 0.228 31.968 31.700 0.068 0.000 0.876 560 N N -1.090 117.626 118.700 0.026 0.000 2.353 560 N HA -0.005 4.726 4.740 -0.015 0.000 0.185 560 N C 0.343 175.890 175.510 0.061 0.000 1.098 560 N CA -0.047 53.014 53.050 0.019 0.000 0.872 560 N CB -0.043 38.465 38.487 0.035 0.000 0.970 560 N HN 0.123 nan 8.380 nan 0.000 0.467 561 S N 0.262 116.007 115.700 0.075 0.000 2.603 561 S HA 0.157 4.618 4.470 -0.015 0.000 0.268 561 S C 0.133 174.698 174.600 -0.057 0.000 1.317 561 S CA -0.906 57.323 58.200 0.049 0.000 1.012 561 S CB 0.998 64.256 63.200 0.098 0.000 0.926 561 S HN 0.201 nan 8.310 nan 0.000 0.539 562 L N 2.260 123.267 121.223 -0.360 0.000 2.462 562 L HA 0.308 4.639 4.340 -0.015 0.000 0.272 562 L C -0.780 176.057 176.870 -0.054 0.000 1.166 562 L CA -0.384 54.044 54.840 -0.687 0.000 0.880 562 L CB -0.214 41.194 42.059 -1.085 0.000 1.142 562 L HN 0.703 nan 8.230 nan 0.000 0.473 563 F N 4.309 124.117 119.950 -0.236 0.000 2.405 563 F HA 0.092 4.610 4.527 -0.014 0.000 0.358 563 F C 0.444 176.175 175.800 -0.116 0.000 1.151 563 F CA -0.805 57.129 58.000 -0.109 0.000 1.161 563 F CB 0.540 39.526 39.000 -0.025 0.000 1.245 563 F HN 0.518 nan 8.300 nan 0.000 0.545 564 D N 4.986 125.381 120.400 -0.009 0.000 2.443 564 D HA 0.214 4.845 4.640 -0.015 0.000 0.221 564 D C -1.081 175.152 176.300 -0.111 0.000 1.097 564 D CA -0.059 53.893 54.000 -0.081 0.000 0.865 564 D CB 1.396 42.135 40.800 -0.102 0.000 1.034 564 D HN 0.263 nan 8.370 nan 0.000 0.511 565 V N 3.369 123.198 119.914 -0.141 0.000 2.540 565 V HA 0.539 4.650 4.120 -0.015 0.000 0.302 565 V C -1.344 174.587 176.094 -0.271 0.000 1.035 565 V CA -0.642 61.555 62.300 -0.171 0.000 0.873 565 V CB 1.802 33.580 31.823 -0.075 0.000 0.992 565 V HN 0.529 nan 8.190 nan 0.000 0.428 566 Q N 4.879 124.540 119.800 -0.231 0.000 2.347 566 Q HA 0.674 5.005 4.340 -0.015 0.000 0.265 566 Q C -1.456 174.374 176.000 -0.283 0.000 1.024 566 Q CA -0.637 55.018 55.803 -0.247 0.000 0.731 566 Q CB 1.859 30.483 28.738 -0.190 0.000 1.245 566 Q HN 1.078 nan 8.270 nan 0.000 0.472 567 V N 1.816 121.544 119.914 -0.309 0.000 2.531 567 V HA 0.872 4.983 4.120 -0.015 0.000 0.301 567 V C -0.950 174.848 176.094 -0.492 0.000 1.034 567 V CA -0.596 61.333 62.300 -0.618 0.000 0.865 567 V CB 1.337 32.560 31.823 -1.000 0.000 0.995 567 V HN 0.841 nan 8.190 nan 0.000 0.424 568 K N 2.474 122.637 120.400 -0.396 0.000 3.076 568 K HA 0.363 4.674 4.320 -0.015 0.000 0.314 568 K C -1.343 175.283 176.600 0.043 0.000 1.113 568 K CA -1.125 55.135 56.287 -0.045 0.000 0.860 568 K CB 0.884 33.348 32.500 -0.060 0.000 1.435 568 K HN 0.500 nan 8.250 nan 0.000 0.374 569 R N 0.920 121.517 120.500 0.160 0.000 2.698 569 R HA 0.174 4.504 4.340 -0.015 0.000 0.266 569 R C 0.387 176.762 176.300 0.126 0.000 1.026 569 R CA -0.328 55.889 56.100 0.195 0.000 1.102 569 R CB -0.110 30.385 30.300 0.325 0.000 0.978 569 R HN 0.470 nan 8.270 nan 0.000 0.436 570 I N 4.392 124.963 120.570 0.001 0.000 2.421 570 I HA 0.099 4.259 4.170 -0.015 0.000 0.291 570 I C 0.242 176.174 176.117 -0.309 0.000 1.089 570 I CA 0.227 61.460 61.300 -0.112 0.000 1.354 570 I CB -0.509 37.425 38.000 -0.111 0.000 1.413 570 I HN 0.402 nan 8.210 nan 0.000 0.513 571 H N 3.032 122.009 119.070 -0.155 0.000 2.851 571 H HA 0.274 4.821 4.556 -0.015 0.000 0.372 571 H C 0.670 175.877 175.328 -0.202 0.000 1.158 571 H CA -0.594 55.401 56.048 -0.087 0.000 1.159 571 H CB 1.731 31.359 29.762 -0.223 0.000 1.757 571 H HN 0.447 nan 8.280 nan 0.000 0.546 572 E N 0.843 121.097 120.200 0.089 0.000 2.085 572 E HA -0.265 4.076 4.350 -0.015 0.000 0.194 572 E C 1.237 177.606 176.600 -0.385 0.000 0.994 572 E CA 1.730 58.122 56.400 -0.013 0.000 0.801 572 E CB -0.051 29.839 29.700 0.316 0.000 0.743 572 E HN 0.685 nan 8.360 nan 0.000 0.453 573 Y N 0.688 120.491 120.300 -0.829 0.000 2.352 573 Y HA -0.027 4.513 4.550 -0.015 0.000 0.292 573 Y C 1.535 177.172 175.900 -0.438 0.000 1.136 573 Y CA 0.876 58.295 58.100 -1.136 0.000 1.227 573 Y CB -0.145 37.659 38.460 -1.093 0.000 0.991 573 Y HN -0.206 nan 8.280 nan 0.000 0.545 574 K N 0.661 120.591 120.400 -0.783 0.000 2.432 574 K HA 0.060 4.370 4.320 -0.015 0.000 0.196 574 K C 0.183 176.614 176.600 -0.282 0.000 1.038 574 K CA 0.546 56.506 56.287 -0.545 0.000 0.986 574 K CB -0.047 32.118 32.500 -0.557 0.000 0.782 574 K HN 0.256 nan 8.250 nan 0.000 0.485 575 R N 0.331 120.690 120.500 -0.235 0.000 3.422 575 R HA -0.237 4.094 4.340 -0.015 0.000 0.267 575 R C 0.343 176.559 176.300 -0.141 0.000 1.074 575 R CA 0.277 56.288 56.100 -0.149 0.000 0.718 575 R CB -1.939 28.289 30.300 -0.119 0.000 1.157 575 R HN 0.307 nan 8.270 nan 0.000 0.440 576 Q N 0.344 120.061 119.800 -0.139 0.000 2.217 576 Q HA -0.123 4.208 4.340 -0.015 0.000 0.209 576 Q C 2.045 177.992 176.000 -0.090 0.000 0.988 576 Q CA 1.728 57.465 55.803 -0.111 0.000 0.878 576 Q CB -0.057 28.621 28.738 -0.100 0.000 0.909 576 Q HN 0.589 nan 8.270 nan 0.000 0.424 577 L N -0.707 120.464 121.223 -0.087 0.000 2.083 577 L HA -0.180 4.151 4.340 -0.015 0.000 0.209 577 L C 2.045 178.906 176.870 -0.014 0.000 1.083 577 L CA 0.550 55.352 54.840 -0.064 0.000 0.752 577 L CB -0.342 41.685 42.059 -0.053 0.000 0.899 577 L HN 0.307 nan 8.230 nan 0.000 0.433 578 L N 0.065 121.270 121.223 -0.029 0.000 2.046 578 L HA -0.249 4.082 4.340 -0.015 0.000 0.208 578 L C 2.045 178.955 176.870 0.066 0.000 1.077 578 L CA 1.938 56.770 54.840 -0.012 0.000 0.747 578 L CB -0.818 41.123 42.059 -0.196 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.642 117.064 118.700 0.011 0.000 2.104 579 N HA -0.251 4.480 4.740 -0.015 0.000 0.190 579 N C 1.954 177.545 175.510 0.135 0.000 1.024 579 N CA 1.688 54.832 53.050 0.156 0.000 0.853 579 N CB -0.154 38.353 38.487 0.035 0.000 1.008 579 N HN 0.503 nan 8.380 nan 0.000 0.424 580 C N 0.529 119.844 119.300 0.024 0.000 2.413 580 C HA -0.095 4.356 4.460 -0.015 0.000 0.276 580 C C 2.583 177.567 174.990 -0.010 0.000 1.248 580 C CA 0.441 59.428 59.018 -0.052 0.000 1.742 580 C CB -1.253 26.402 27.740 -0.141 0.000 2.017 580 C HN 0.502 nan 8.230 nan 0.000 0.481 581 L N -0.499 120.783 121.223 0.098 0.000 2.046 581 L HA -0.185 4.146 4.340 -0.015 0.000 0.208 581 L C 2.754 179.783 176.870 0.265 0.000 1.077 581 L CA 1.782 56.732 54.840 0.184 0.000 0.747 581 L CB -1.123 41.126 42.059 0.316 0.000 0.896 581 L HN 0.576 nan 8.230 nan 0.000 0.432 582 H N 0.101 119.286 119.070 0.191 0.000 2.321 582 H HA -0.151 4.396 4.556 -0.015 0.000 0.300 582 H C 2.253 177.577 175.328 -0.007 0.000 1.087 582 H CA 1.998 58.073 56.048 0.045 0.000 1.319 582 H CB 0.311 30.035 29.762 -0.063 0.000 1.379 582 H HN 0.089 nan 8.280 nan 0.000 0.501 583 V N 1.559 121.405 119.914 -0.114 0.000 2.287 583 V HA -0.286 3.824 4.120 -0.015 0.000 0.248 583 V C 2.841 178.870 176.094 -0.107 0.000 1.053 583 V CA 1.994 64.188 62.300 -0.177 0.000 1.027 583 V CB -0.522 31.240 31.823 -0.102 0.000 0.646 583 V HN 0.394 nan 8.190 nan 0.000 0.447 584 I N -0.253 120.293 120.570 -0.039 0.000 2.286 584 I HA -0.225 3.936 4.170 -0.015 0.000 0.248 584 I C 2.487 178.667 176.117 0.103 0.000 1.115 584 I CA 1.723 63.073 61.300 0.084 0.000 1.392 584 I CB -0.705 37.318 38.000 0.038 0.000 1.065 584 I HN 0.332 nan 8.210 nan 0.000 0.418 585 T N 1.196 115.764 114.554 0.023 0.000 2.708 585 T HA -0.146 4.195 4.350 -0.015 0.000 0.266 585 T C 1.877 176.531 174.700 -0.078 0.000 1.037 585 T CA 1.223 63.326 62.100 0.006 0.000 1.146 585 T CB -0.252 68.647 68.868 0.051 0.000 0.865 585 T HN 0.078 nan 8.240 nan 0.000 0.435 586 L N 0.120 121.227 121.223 -0.192 0.000 2.046 586 L HA -0.013 4.318 4.340 -0.015 0.000 0.208 586 L C 2.098 178.923 176.870 -0.074 0.000 1.077 586 L CA 1.548 56.273 54.840 -0.193 0.000 0.747 586 L CB -1.058 40.815 42.059 -0.310 0.000 0.896 586 L HN 0.365 nan 8.230 nan 0.000 0.432 587 Y N 0.312 120.546 120.300 -0.110 0.000 2.128 587 Y HA -0.302 4.239 4.550 -0.015 0.000 0.284 587 Y C 2.433 178.313 175.900 -0.034 0.000 1.154 587 Y CA 1.894 59.969 58.100 -0.041 0.000 1.149 587 Y CB -0.095 38.387 38.460 0.037 0.000 0.976 587 Y HN 0.281 nan 8.280 nan 0.000 0.505 588 N N 0.442 119.064 118.700 -0.131 0.000 2.166 588 N HA -0.137 4.593 4.740 -0.015 0.000 0.186 588 N C 1.822 177.206 175.510 -0.210 0.000 1.019 588 N CA 1.510 54.426 53.050 -0.224 0.000 0.856 588 N CB -0.367 38.061 38.487 -0.099 0.000 0.993 588 N HN 0.451 nan 8.380 nan 0.000 0.426 589 R N 0.438 120.848 120.500 -0.150 0.000 2.075 589 R HA 0.065 4.396 4.340 -0.015 0.000 0.232 589 R C 2.258 178.471 176.300 -0.146 0.000 1.126 589 R CA 0.748 56.771 56.100 -0.127 0.000 0.963 589 R CB -0.290 29.948 30.300 -0.102 0.000 0.858 589 R HN 0.214 nan 8.270 nan 0.000 0.435 590 I N 1.060 121.525 120.570 -0.175 0.000 2.127 590 I HA -0.311 3.850 4.170 -0.015 0.000 0.241 590 I C 2.198 178.197 176.117 -0.197 0.000 1.075 590 I CA 1.330 62.527 61.300 -0.171 0.000 1.334 590 I CB -0.193 37.712 38.000 -0.158 0.000 1.040 590 I HN 0.040 nan 8.210 nan 0.000 0.405 591 K N 0.731 120.943 120.400 -0.313 0.000 2.152 591 K HA -0.224 4.087 4.320 -0.015 0.000 0.206 591 K C 2.000 178.494 176.600 -0.176 0.000 1.048 591 K CA 1.264 57.380 56.287 -0.285 0.000 0.933 591 K CB -0.375 31.863 32.500 -0.437 0.000 0.721 591 K HN 0.353 nan 8.250 nan 0.000 0.447 592 K N 1.176 121.479 120.400 -0.162 0.000 2.001 592 K HA -0.099 4.212 4.320 -0.015 0.000 0.208 592 K C 0.040 176.590 176.600 -0.082 0.000 1.048 592 K CA 1.156 57.376 56.287 -0.111 0.000 0.932 592 K CB 0.254 32.693 32.500 -0.102 0.000 0.715 592 K HN 0.098 nan 8.250 nan 0.000 0.437 593 E N 0.503 120.654 120.200 -0.081 0.000 2.916 593 E HA 0.127 4.468 4.350 -0.015 0.000 0.217 593 E C -2.272 174.293 176.600 -0.058 0.000 1.100 593 E CA -1.720 54.646 56.400 -0.057 0.000 0.891 593 E CB 1.669 31.342 29.700 -0.044 0.000 1.311 593 E HN 0.180 nan 8.360 nan 0.000 0.421 594 P HA -0.109 nan 4.420 nan 0.000 0.222 594 P C 0.179 177.460 177.300 -0.031 0.000 1.147 594 P CA 1.084 64.151 63.100 -0.054 0.000 0.790 594 P CB 0.225 31.898 31.700 -0.045 0.000 0.780 595 N N -1.298 117.392 118.700 -0.016 0.000 2.235 595 N HA 0.026 4.757 4.740 -0.015 0.000 0.209 595 N C 0.515 176.040 175.510 0.025 0.000 1.122 595 N CA -0.150 52.904 53.050 0.005 0.000 0.845 595 N CB 0.170 38.660 38.487 0.006 0.000 1.004 595 N HN -0.022 nan 8.380 nan 0.000 0.499 596 K N 1.127 121.535 120.400 0.014 0.000 2.174 596 K HA 0.134 4.445 4.320 -0.015 0.000 0.275 596 K C -0.833 175.806 176.600 0.066 0.000 1.015 596 K CA -0.517 55.795 56.287 0.041 0.000 0.933 596 K CB 0.620 33.125 32.500 0.009 0.000 1.025 596 K HN -0.052 nan 8.250 nan 0.000 0.463 597 F N 4.481 124.419 119.950 -0.020 0.000 2.495 597 F HA 0.159 4.677 4.527 -0.015 0.000 0.365 597 F C -0.279 175.508 175.800 -0.022 0.000 1.090 597 F CA -0.138 57.851 58.000 -0.018 0.000 1.235 597 F CB 0.589 39.581 39.000 -0.013 0.000 1.119 597 F HN 0.177 nan 8.300 nan 0.000 0.562 598 V N 4.443 123.842 119.914 -0.859 0.000 2.735 598 V HA 0.554 4.665 4.120 -0.015 0.000 0.310 598 V C -0.706 174.777 176.094 -1.018 0.000 1.061 598 V CA -1.188 60.711 62.300 -0.668 0.000 0.913 598 V CB 1.061 32.674 31.823 -0.349 0.000 1.005 598 V HN 0.565 nan 8.190 nan 0.000 0.428 599 V N 5.209 124.818 119.914 -0.508 0.000 2.493 599 V HA 0.192 4.303 4.120 -0.015 0.000 0.292 599 V C -1.818 174.113 176.094 -0.271 0.000 1.016 599 V CA -0.507 61.627 62.300 -0.277 0.000 1.097 599 V CB 0.349 32.145 31.823 -0.045 0.000 0.947 599 V HN 0.911 nan 8.190 nan 0.000 0.479 600 P HA 0.292 nan 4.420 nan 0.000 0.268 600 P C -0.411 176.800 177.300 -0.148 0.000 1.205 600 P CA -0.029 62.977 63.100 -0.156 0.000 0.771 600 P CB 0.524 32.180 31.700 -0.073 0.000 0.858 601 R N 1.086 121.511 120.500 -0.126 0.000 2.686 601 R HA 0.523 4.854 4.340 -0.015 0.000 0.286 601 R C -0.675 175.586 176.300 -0.065 0.000 0.969 601 R CA -0.597 55.432 56.100 -0.119 0.000 0.898 601 R CB 1.876 32.092 30.300 -0.140 0.000 1.183 601 R HN 0.322 nan 8.270 nan 0.000 0.456 602 T N 2.395 116.930 114.554 -0.030 0.000 2.770 602 T HA 0.254 4.595 4.350 -0.015 0.000 0.297 602 T C -0.297 174.317 174.700 -0.144 0.000 0.997 602 T CA -0.457 61.582 62.100 -0.101 0.000 0.949 602 T CB 1.133 69.884 68.868 -0.194 0.000 0.941 602 T HN 0.126 nan 8.240 nan 0.000 0.457 603 V N 6.038 125.874 119.914 -0.129 0.000 2.350 603 V HA 0.442 4.552 4.120 -0.015 0.000 0.276 603 V C 0.006 176.019 176.094 -0.134 0.000 1.028 603 V CA -0.496 61.733 62.300 -0.118 0.000 0.860 603 V CB 0.785 32.556 31.823 -0.088 0.000 0.990 603 V HN 0.861 nan 8.190 nan 0.000 0.453 604 M N 6.747 126.256 119.600 -0.153 0.000 2.181 604 M HA 0.622 5.093 4.480 -0.015 0.000 0.323 604 M C -1.068 175.122 176.300 -0.184 0.000 1.004 604 M CA -0.217 54.984 55.300 -0.165 0.000 0.941 604 M CB 2.078 34.574 32.600 -0.172 0.000 1.579 604 M HN 0.401 nan 8.290 nan 0.000 0.427 605 I N 1.814 122.261 120.570 -0.206 0.000 2.465 605 I HA 0.848 5.009 4.170 -0.015 0.000 0.291 605 I C 0.166 175.959 176.117 -0.539 0.000 1.014 605 I CA -0.601 60.550 61.300 -0.247 0.000 1.093 605 I CB 2.271 40.216 38.000 -0.091 0.000 1.267 605 I HN 0.809 nan 8.210 nan 0.000 0.431 606 G N 2.884 111.335 108.800 -0.582 0.000 2.690 606 G HA2 0.840 4.791 3.960 -0.015 0.000 0.293 606 G HA3 0.840 4.791 3.960 -0.015 0.000 0.293 606 G C -1.006 173.605 174.900 -0.481 0.000 1.399 606 G CA -0.834 43.773 45.100 -0.821 0.000 0.890 606 G HN 0.990 nan 8.290 nan 0.000 0.485 607 G N -0.372 108.297 108.800 -0.219 0.000 2.318 607 G HA2 0.374 4.325 3.960 -0.015 0.000 0.302 607 G HA3 0.374 4.325 3.960 -0.015 0.000 0.302 607 G C -1.154 173.895 174.900 0.248 0.000 1.633 607 G CA -1.041 44.109 45.100 0.083 0.000 0.965 607 G HN 0.599 nan 8.290 nan 0.000 0.698 608 K N 0.063 120.604 120.400 0.235 0.000 2.144 608 K HA 0.709 5.020 4.320 -0.015 0.000 0.270 608 K C 0.422 177.157 176.600 0.226 0.000 1.005 608 K CA -0.026 56.417 56.287 0.259 0.000 0.932 608 K CB 1.810 34.371 32.500 0.102 0.000 1.021 608 K HN 0.868 nan 8.250 nan 0.000 0.462 609 A N 1.614 124.594 122.820 0.267 0.000 2.305 609 A HA 0.584 4.895 4.320 -0.015 0.000 0.322 609 A C -0.354 177.410 177.584 0.300 0.000 1.187 609 A CA -0.719 51.413 52.037 0.157 0.000 0.825 609 A CB 0.892 19.915 19.000 0.037 0.000 1.164 609 A HN 0.784 nan 8.150 nan 0.000 0.498 610 A N 4.012 126.993 122.820 0.268 0.000 2.548 610 A HA 0.421 4.732 4.320 -0.015 0.000 0.247 610 A C -1.352 176.349 177.584 0.196 0.000 1.067 610 A CA -0.634 51.580 52.037 0.296 0.000 0.757 610 A CB -0.379 18.789 19.000 0.281 0.000 0.996 610 A HN 0.608 nan 8.150 nan 0.000 0.504 611 P HA -0.142 nan 4.420 nan 0.000 0.217 611 P C 1.313 178.625 177.300 0.020 0.000 1.148 611 P CA 1.942 64.999 63.100 -0.071 0.000 0.828 611 P CB 0.208 31.794 31.700 -0.189 0.000 0.783 612 G N -2.960 105.889 108.800 0.081 0.000 3.141 612 G HA2 -0.078 3.873 3.960 -0.015 0.000 0.218 612 G HA3 -0.078 3.873 3.960 -0.015 0.000 0.218 612 G C -0.243 174.754 174.900 0.162 0.000 1.170 612 G CA -0.119 45.034 45.100 0.089 0.000 0.769 612 G HN 0.311 nan 8.290 nan 0.000 0.546 613 Y N 1.576 121.901 120.300 0.042 0.000 2.650 613 Y HA 0.203 4.744 4.550 -0.015 0.000 0.343 613 Y C 1.583 177.522 175.900 0.064 0.000 1.078 613 Y CA -1.083 57.044 58.100 0.045 0.000 1.356 613 Y CB 0.196 38.673 38.460 0.027 0.000 1.204 613 Y HN 0.303 nan 8.280 nan 0.000 0.508 614 H N 4.358 123.582 119.070 0.257 0.000 2.321 614 H HA -0.200 4.347 4.556 -0.015 0.000 0.300 614 H C 1.776 177.153 175.328 0.082 0.000 1.087 614 H CA 2.195 58.321 56.048 0.130 0.000 1.319 614 H CB 0.388 30.210 29.762 0.100 0.000 1.379 614 H HN 0.730 nan 8.280 nan 0.000 0.501 615 M N 1.154 120.756 119.600 0.004 0.000 2.108 615 M HA -0.098 4.372 4.480 -0.015 0.000 0.261 615 M C 2.539 178.609 176.300 -0.384 0.000 1.066 615 M CA 1.860 57.069 55.300 -0.151 0.000 1.107 615 M CB -0.742 31.916 32.600 0.097 0.000 1.356 615 M HN 0.353 nan 8.290 nan 0.000 0.406 616 A N -0.649 121.717 122.820 -0.758 0.000 1.972 616 A HA -0.179 4.132 4.320 -0.015 0.000 0.219 616 A C 2.192 179.580 177.584 -0.326 0.000 1.169 616 A CA 1.770 53.390 52.037 -0.695 0.000 0.635 616 A CB -0.613 17.782 19.000 -1.008 0.000 0.810 616 A HN 0.581 nan 8.150 nan 0.000 0.446 617 K N -1.139 119.127 120.400 -0.224 0.000 2.103 617 K HA -0.032 4.279 4.320 -0.015 0.000 0.204 617 K C 1.937 178.500 176.600 -0.062 0.000 1.052 617 K CA 1.171 57.414 56.287 -0.073 0.000 0.945 617 K CB -0.203 32.322 32.500 0.042 0.000 0.722 617 K HN 0.331 nan 8.250 nan 0.000 0.443 618 M N 0.627 120.143 119.600 -0.140 0.000 2.117 618 M HA -0.107 4.364 4.480 -0.015 0.000 0.262 618 M C 2.143 178.386 176.300 -0.095 0.000 1.065 618 M CA 1.478 56.734 55.300 -0.074 0.000 1.114 618 M CB -0.706 31.830 32.600 -0.106 0.000 1.361 618 M HN 0.121 nan 8.290 nan 0.000 0.408 619 I N -0.184 120.287 120.570 -0.165 0.000 2.226 619 I HA -0.313 3.848 4.170 -0.015 0.000 0.245 619 I C 2.335 178.321 176.117 -0.219 0.000 1.100 619 I CA 1.126 62.314 61.300 -0.187 0.000 1.374 619 I CB -0.332 37.556 38.000 -0.187 0.000 1.057 619 I HN 0.177 nan 8.210 nan 0.000 0.413 620 I N 0.592 121.012 120.570 -0.249 0.000 2.179 620 I HA -0.318 3.843 4.170 -0.015 0.000 0.242 620 I C 2.613 178.445 176.117 -0.475 0.000 1.088 620 I CA 1.324 62.372 61.300 -0.419 0.000 1.357 620 I CB -0.296 37.423 38.000 -0.468 0.000 1.051 620 I HN 0.158 nan 8.210 nan 0.000 0.409 621 K N 1.462 121.608 120.400 -0.425 0.000 2.057 621 K HA -0.164 4.147 4.320 -0.015 0.000 0.207 621 K C 2.056 178.509 176.600 -0.245 0.000 1.049 621 K CA 1.512 57.479 56.287 -0.533 0.000 0.931 621 K CB -0.611 31.312 32.500 -0.963 0.000 0.714 621 K HN 0.217 nan 8.250 nan 0.000 0.440 622 L N 0.430 121.537 121.223 -0.193 0.000 2.013 622 L HA -0.216 4.115 4.340 -0.015 0.000 0.212 622 L C 2.228 178.856 176.870 -0.403 0.000 1.073 622 L CA 1.884 56.405 54.840 -0.531 0.000 0.753 622 L CB -0.341 41.311 42.059 -0.678 0.000 0.890 622 L HN 0.289 nan 8.230 nan 0.000 0.432 623 I N -0.223 120.165 120.570 -0.303 0.000 2.163 623 I HA -0.352 3.809 4.170 -0.015 0.000 0.243 623 I C 2.644 178.657 176.117 -0.173 0.000 1.085 623 I CA 2.009 63.186 61.300 -0.205 0.000 1.347 623 I CB -0.580 37.381 38.000 -0.064 0.000 1.044 623 I HN 0.447 nan 8.210 nan 0.000 0.408 624 T N -0.873 113.552 114.554 -0.215 0.000 2.788 624 T HA -0.094 4.247 4.350 -0.015 0.000 0.268 624 T C 1.965 176.602 174.700 -0.104 0.000 1.044 624 T CA 0.984 62.989 62.100 -0.158 0.000 1.139 624 T CB -0.508 68.221 68.868 -0.232 0.000 0.867 624 T HN 0.346 nan 8.240 nan 0.000 0.454 625 A N 1.453 124.210 122.820 -0.105 0.000 1.930 625 A HA 0.166 4.476 4.320 -0.015 0.000 0.217 625 A C 2.378 179.986 177.584 0.040 0.000 1.175 625 A CA 1.195 53.242 52.037 0.015 0.000 0.627 625 A CB -0.792 18.322 19.000 0.190 0.000 0.815 625 A HN 0.590 nan 8.150 nan 0.000 0.443 626 I N -0.231 120.256 120.570 -0.138 0.000 2.179 626 I HA -0.215 3.946 4.170 -0.015 0.000 0.242 626 I C 2.742 178.818 176.117 -0.068 0.000 1.088 626 I CA 1.187 62.383 61.300 -0.174 0.000 1.357 626 I CB -0.704 37.068 38.000 -0.380 0.000 1.051 626 I HN 0.388 nan 8.210 nan 0.000 0.409 627 G N 0.443 109.195 108.800 -0.079 0.000 2.440 627 G HA2 -0.285 3.666 3.960 -0.015 0.000 0.218 627 G HA3 -0.285 3.666 3.960 -0.015 0.000 0.218 627 G C 1.298 176.186 174.900 -0.020 0.000 1.154 627 G CA 1.107 46.170 45.100 -0.062 0.000 0.767 627 G HN 0.283 nan 8.290 nan 0.000 0.552 628 D N -0.025 120.402 120.400 0.045 0.000 2.133 628 D HA -0.099 4.532 4.640 -0.015 0.000 0.195 628 D C 2.730 179.143 176.300 0.188 0.000 0.997 628 D CA 0.858 54.951 54.000 0.155 0.000 0.840 628 D CB -0.280 40.569 40.800 0.082 0.000 0.947 628 D HN 0.230 nan 8.370 nan 0.000 0.452 629 V N 0.135 120.087 119.914 0.064 0.000 2.346 629 V HA -0.143 3.968 4.120 -0.015 0.000 0.244 629 V C 2.565 178.602 176.094 -0.096 0.000 1.037 629 V CA 0.835 63.114 62.300 -0.035 0.000 1.029 629 V CB -0.158 31.611 31.823 -0.090 0.000 0.663 629 V HN 0.036 nan 8.190 nan 0.000 0.454 630 V N 0.699 120.507 119.914 -0.176 0.000 2.379 630 V HA -0.150 3.961 4.120 -0.015 0.000 0.245 630 V C 2.101 178.139 176.094 -0.094 0.000 1.044 630 V CA 1.796 63.971 62.300 -0.209 0.000 1.036 630 V CB -0.803 30.893 31.823 -0.211 0.000 0.664 630 V HN 0.555 nan 8.190 nan 0.000 0.453 631 N N -0.147 118.448 118.700 -0.174 0.000 2.512 631 N HA -0.088 4.643 4.740 -0.015 0.000 0.183 631 N C 1.116 176.361 175.510 -0.443 0.000 1.073 631 N CA 0.897 53.759 53.050 -0.313 0.000 0.911 631 N CB -0.269 37.970 38.487 -0.413 0.000 0.964 631 N HN 0.685 nan 8.380 nan 0.000 0.447 632 H N -1.555 117.512 119.070 -0.004 0.000 2.674 632 H HA 0.206 4.753 4.556 -0.015 0.000 0.274 632 H C -0.528 174.811 175.328 0.018 0.000 1.121 632 H CA -0.499 55.549 56.048 0.000 0.000 1.132 632 H CB 0.646 30.399 29.762 -0.016 0.000 1.606 632 H HN -0.018 nan 8.280 nan 0.000 0.558 633 D N 1.894 122.364 120.400 0.117 0.000 2.316 633 D HA 0.040 4.671 4.640 -0.015 0.000 0.245 633 D C -1.619 174.738 176.300 0.095 0.000 1.171 633 D CA -2.029 52.054 54.000 0.139 0.000 0.856 633 D CB 1.737 42.696 40.800 0.264 0.000 1.090 633 D HN 0.114 nan 8.370 nan 0.000 0.476 634 P HA -0.113 nan 4.420 nan 0.000 0.218 634 P C 1.594 178.916 177.300 0.036 0.000 1.149 634 P CA 0.365 63.492 63.100 0.046 0.000 0.817 634 P CB 0.396 32.117 31.700 0.036 0.000 0.785 635 V N -0.474 119.464 119.914 0.039 0.000 2.515 635 V HA -0.168 3.943 4.120 -0.015 0.000 0.250 635 V C 2.511 178.613 176.094 0.014 0.000 1.058 635 V CA 1.455 63.765 62.300 0.018 0.000 1.064 635 V CB -1.080 30.745 31.823 0.003 0.000 0.675 635 V HN -0.023 nan 8.190 nan 0.000 0.461 636 V N -0.200 119.742 119.914 0.046 0.000 2.358 636 V HA 0.060 4.171 4.120 -0.015 0.000 0.246 636 V C 1.765 177.867 176.094 0.014 0.000 1.047 636 V CA 1.754 64.081 62.300 0.044 0.000 1.035 636 V CB -1.148 30.748 31.823 0.121 0.000 0.658 636 V HN 0.770 nan 8.190 nan 0.000 0.452 637 G N 1.296 110.107 108.800 0.018 0.000 2.527 637 G HA2 -0.328 3.623 3.960 -0.015 0.000 0.268 637 G HA3 -0.328 3.623 3.960 -0.015 0.000 0.268 637 G C 0.129 175.029 174.900 0.001 0.000 1.175 637 G CA 0.361 45.466 45.100 0.008 0.000 0.962 637 G HN 0.710 nan 8.290 nan 0.000 0.560 638 D N 0.170 120.570 120.400 -0.001 0.000 2.615 638 D HA 0.268 4.899 4.640 -0.015 0.000 0.236 638 D C 1.610 177.901 176.300 -0.016 0.000 1.233 638 D CA -0.141 53.858 54.000 -0.002 0.000 0.829 638 D CB -0.008 40.802 40.800 0.017 0.000 1.024 638 D HN 0.591 nan 8.370 nan 0.000 0.490 639 R N -0.719 119.760 120.500 -0.036 0.000 2.161 639 R HA 0.214 4.545 4.340 -0.015 0.000 0.213 639 R C -0.082 176.172 176.300 -0.077 0.000 1.055 639 R CA 0.226 56.280 56.100 -0.077 0.000 0.996 639 R CB 0.359 30.593 30.300 -0.111 0.000 0.901 639 R HN 0.112 nan 8.270 nan 0.000 0.456 640 L N 0.785 121.981 121.223 -0.046 0.000 2.476 640 L HA 0.393 4.724 4.340 -0.015 0.000 0.269 640 L C -1.493 175.353 176.870 -0.041 0.000 0.965 640 L CA -0.470 54.343 54.840 -0.045 0.000 0.845 640 L CB 1.778 43.827 42.059 -0.017 0.000 1.259 640 L HN -0.158 nan 8.230 nan 0.000 0.403 641 R N 4.036 124.500 120.500 -0.060 0.000 2.575 641 R HA 0.744 5.075 4.340 -0.015 0.000 0.293 641 R C -1.651 174.596 176.300 -0.088 0.000 0.983 641 R CA -0.772 55.284 56.100 -0.074 0.000 0.887 641 R CB 2.430 32.689 30.300 -0.067 0.000 1.184 641 R HN 0.412 nan 8.270 nan 0.000 0.445 642 V N 4.834 124.693 119.914 -0.091 0.000 2.378 642 V HA 0.499 4.610 4.120 -0.015 0.000 0.288 642 V C -0.268 175.783 176.094 -0.071 0.000 1.016 642 V CA -0.752 61.495 62.300 -0.087 0.000 0.840 642 V CB 1.614 33.383 31.823 -0.090 0.000 0.994 642 V HN 0.540 nan 8.190 nan 0.000 0.431 643 I N 4.855 125.382 120.570 -0.071 0.000 2.466 643 I HA 0.428 4.589 4.170 -0.015 0.000 0.289 643 I C -0.641 175.461 176.117 -0.025 0.000 1.026 643 I CA -0.332 60.937 61.300 -0.051 0.000 1.078 643 I CB 1.867 39.816 38.000 -0.087 0.000 1.249 643 I HN 0.565 nan 8.210 nan 0.000 0.429 644 F N 7.186 127.071 119.950 -0.108 0.000 2.424 644 F HA 0.441 4.959 4.527 -0.015 0.000 0.356 644 F C -0.451 175.286 175.800 -0.105 0.000 1.110 644 F CA -0.555 57.383 58.000 -0.103 0.000 1.161 644 F CB 0.607 39.548 39.000 -0.098 0.000 1.115 644 F HN 0.167 nan 8.300 nan 0.000 0.507 645 L N 6.345 127.165 121.223 -0.672 0.000 2.363 645 L HA 0.159 4.490 4.340 -0.015 0.000 0.286 645 L C 0.283 176.889 176.870 -0.440 0.000 1.106 645 L CA 0.077 54.658 54.840 -0.432 0.000 0.859 645 L CB 0.043 41.931 42.059 -0.286 0.000 1.223 645 L HN 0.614 nan 8.230 nan 0.000 0.446 646 E N 3.425 123.509 120.200 -0.193 0.000 2.392 646 E HA -0.046 4.295 4.350 -0.015 0.000 0.264 646 E C 0.514 177.170 176.600 0.093 0.000 1.024 646 E CA -0.143 56.283 56.400 0.044 0.000 0.903 646 E CB 0.306 30.000 29.700 -0.010 0.000 0.963 646 E HN 0.545 nan 8.360 nan 0.000 0.432 647 N N 2.647 121.464 118.700 0.196 0.000 2.740 647 N HA -0.279 4.452 4.740 -0.015 0.000 0.248 647 N C -1.499 174.108 175.510 0.163 0.000 1.062 647 N CA 0.559 53.724 53.050 0.191 0.000 0.704 647 N CB -1.717 36.895 38.487 0.208 0.000 0.968 647 N HN 0.506 nan 8.380 nan 0.000 0.547 648 Y N 1.614 121.929 120.300 0.025 0.000 2.717 648 Y HA 0.174 4.714 4.550 -0.015 0.000 0.330 648 Y C 1.128 177.056 175.900 0.047 0.000 1.217 648 Y CA 0.836 58.939 58.100 0.005 0.000 1.506 648 Y CB 0.343 38.771 38.460 -0.053 0.000 1.268 648 Y HN 0.385 nan 8.280 nan 0.000 0.561 649 R N 2.479 122.605 120.500 -0.623 0.000 2.752 649 R HA 0.375 4.706 4.340 -0.015 0.000 0.277 649 R C -0.772 175.207 176.300 -0.535 0.000 1.024 649 R CA -0.560 55.302 56.100 -0.396 0.000 0.866 649 R CB 0.279 30.541 30.300 -0.064 0.000 1.278 649 R HN 0.381 nan 8.270 nan 0.000 0.473 650 V N 1.125 120.761 119.914 -0.464 0.000 2.332 650 V HA -0.274 3.837 4.120 -0.015 0.000 0.248 650 V C 2.566 178.541 176.094 -0.198 0.000 1.055 650 V CA 2.829 64.907 62.300 -0.369 0.000 1.038 650 V CB -0.710 30.849 31.823 -0.439 0.000 0.651 650 V HN 0.910 nan 8.190 nan 0.000 0.450 651 S N -0.175 115.427 115.700 -0.162 0.000 2.423 651 S HA -0.138 4.323 4.470 -0.015 0.000 0.231 651 S C 1.895 176.446 174.600 -0.083 0.000 1.014 651 S CA 1.505 59.636 58.200 -0.116 0.000 0.965 651 S CB -0.396 62.762 63.200 -0.069 0.000 0.785 651 S HN 0.407 nan 8.310 nan 0.000 0.495 652 L N 1.777 122.960 121.223 -0.066 0.000 2.131 652 L HA 0.384 4.715 4.340 -0.015 0.000 0.206 652 L C 2.642 179.538 176.870 0.043 0.000 1.087 652 L CA 1.341 56.189 54.840 0.013 0.000 0.767 652 L CB -1.153 40.975 42.059 0.115 0.000 0.917 652 L HN 0.337 nan 8.230 nan 0.000 0.441 653 A N -0.668 122.157 122.820 0.008 0.000 1.940 653 A HA -0.237 4.074 4.320 -0.015 0.000 0.219 653 A C 2.144 179.796 177.584 0.113 0.000 1.176 653 A CA 1.851 53.971 52.037 0.139 0.000 0.631 653 A CB -0.594 18.473 19.000 0.111 0.000 0.814 653 A HN 0.590 nan 8.150 nan 0.000 0.446 654 E N -0.395 119.852 120.200 0.077 0.000 2.204 654 E HA -0.167 4.174 4.350 -0.015 0.000 0.195 654 E C 1.945 178.514 176.600 -0.052 0.000 0.990 654 E CA 1.278 57.676 56.400 -0.002 0.000 0.821 654 E CB -0.045 29.559 29.700 -0.159 0.000 0.750 654 E HN 0.642 nan 8.360 nan 0.000 0.477 655 K N 0.067 120.422 120.400 -0.075 0.000 2.078 655 K HA 0.003 4.314 4.320 -0.015 0.000 0.203 655 K C 2.191 178.631 176.600 -0.266 0.000 1.043 655 K CA 0.594 56.829 56.287 -0.088 0.000 0.960 655 K CB -0.163 32.297 32.500 -0.067 0.000 0.761 655 K HN -0.046 nan 8.250 nan 0.000 0.448 656 V N 1.965 121.622 119.914 -0.427 0.000 2.453 656 V HA -0.167 3.944 4.120 -0.015 0.000 0.247 656 V C 1.921 177.772 176.094 -0.406 0.000 1.048 656 V CA 1.352 63.166 62.300 -0.809 0.000 1.049 656 V CB -0.211 31.247 31.823 -0.609 0.000 0.672 656 V HN 0.255 nan 8.190 nan 0.000 0.457 657 I N 0.555 120.941 120.570 -0.307 0.000 2.127 657 I HA -0.140 4.020 4.170 -0.015 0.000 0.241 657 I C -0.165 175.831 176.117 -0.201 0.000 1.075 657 I CA 1.744 62.787 61.300 -0.429 0.000 1.334 657 I CB -1.531 36.082 38.000 -0.645 0.000 1.040 657 I HN 0.358 nan 8.210 nan 0.000 0.405 658 P HA -0.144 nan 4.420 nan 0.000 0.219 658 P C 1.074 178.371 177.300 -0.004 0.000 1.146 658 P CA 1.450 64.527 63.100 -0.039 0.000 0.808 658 P CB -0.014 31.671 31.700 -0.024 0.000 0.779 659 A N -1.130 121.672 122.820 -0.029 0.000 2.218 659 A HA 0.398 4.709 4.320 -0.015 0.000 0.209 659 A C 1.218 178.915 177.584 0.189 0.000 1.168 659 A CA 0.251 52.330 52.037 0.070 0.000 0.804 659 A CB -0.806 18.253 19.000 0.098 0.000 0.834 659 A HN 0.210 nan 8.150 nan 0.000 0.482 660 A N -0.071 122.852 122.820 0.172 0.000 2.354 660 A HA 0.464 4.775 4.320 -0.015 0.000 0.269 660 A C 0.368 178.107 177.584 0.259 0.000 1.109 660 A CA -0.178 52.028 52.037 0.281 0.000 0.800 660 A CB 0.346 19.603 19.000 0.428 0.000 1.045 660 A HN 0.291 nan 8.150 nan 0.000 0.489 661 D N 0.571 121.125 120.400 0.256 0.000 2.323 661 D HA 0.114 4.745 4.640 -0.015 0.000 0.218 661 D C 0.043 176.566 176.300 0.372 0.000 0.973 661 D CA 0.740 54.949 54.000 0.348 0.000 0.890 661 D CB 0.324 41.263 40.800 0.230 0.000 1.011 661 D HN 0.366 nan 8.370 nan 0.000 0.499 662 L N 1.078 122.400 121.223 0.164 0.000 2.381 662 L HA 0.283 4.614 4.340 -0.015 0.000 0.274 662 L C -0.863 175.885 176.870 -0.203 0.000 0.988 662 L CA -0.313 54.540 54.840 0.023 0.000 0.824 662 L CB 2.146 44.195 42.059 -0.017 0.000 1.263 662 L HN -0.197 nan 8.230 nan 0.000 0.410 663 S N 4.290 119.779 115.700 -0.350 0.000 2.422 663 S HA 0.319 4.780 4.470 -0.015 0.000 0.308 663 S C -0.376 173.949 174.600 -0.458 0.000 1.097 663 S CA -0.668 57.079 58.200 -0.755 0.000 1.099 663 S CB 0.615 63.333 63.200 -0.803 0.000 0.976 663 S HN 0.552 nan 8.310 nan 0.000 0.471 664 E N 4.154 124.098 120.200 -0.427 0.000 2.105 664 E HA 0.194 4.534 4.350 -0.015 0.000 0.285 664 E C -0.506 175.981 176.600 -0.188 0.000 1.055 664 E CA -0.338 55.934 56.400 -0.213 0.000 0.843 664 E CB 0.929 30.531 29.700 -0.162 0.000 1.067 664 E HN 0.611 nan 8.360 nan 0.000 0.398 665 Q N 2.847 122.594 119.800 -0.088 0.000 2.907 665 Q HA 0.273 4.604 4.340 -0.015 0.000 0.262 665 Q C 0.586 176.582 176.000 -0.007 0.000 0.997 665 Q CA -0.145 55.621 55.803 -0.061 0.000 0.797 665 Q CB 0.255 28.967 28.738 -0.043 0.000 1.228 665 Q HN 0.605 nan 8.270 nan 0.000 0.466 666 I N -1.789 118.761 120.570 -0.033 0.000 3.569 666 I HA 0.272 4.433 4.170 -0.015 0.000 0.334 666 I C 0.391 176.467 176.117 -0.068 0.000 1.570 666 I CA -0.694 60.607 61.300 0.002 0.000 1.082 666 I CB 0.626 38.624 38.000 -0.003 0.000 1.323 666 I HN 0.017 nan 8.210 nan 0.000 0.489 667 S N 0.412 116.069 115.700 -0.071 0.000 2.568 667 S HA 0.199 4.660 4.470 -0.015 0.000 0.282 667 S C 0.585 175.168 174.600 -0.028 0.000 1.338 667 S CA -0.256 57.920 58.200 -0.040 0.000 1.045 667 S CB 0.263 63.490 63.200 0.044 0.000 0.873 667 S HN 0.381 nan 8.310 nan 0.000 0.516 668 T N 2.999 117.564 114.554 0.019 0.000 2.866 668 T HA 0.336 4.677 4.350 -0.015 0.000 0.293 668 T C 0.797 175.504 174.700 0.012 0.000 1.005 668 T CA 0.299 62.417 62.100 0.030 0.000 1.162 668 T CB -0.212 68.743 68.868 0.143 0.000 0.968 668 T HN 1.047 nan 8.240 nan 0.000 0.530 669 A N 2.874 125.669 122.820 -0.041 0.000 2.584 669 A HA 0.440 4.751 4.320 -0.015 0.000 0.239 669 A C 1.664 179.239 177.584 -0.016 0.000 1.043 669 A CA 0.293 52.303 52.037 -0.046 0.000 0.756 669 A CB -0.875 18.085 19.000 -0.067 0.000 0.963 669 A HN 1.800 nan 8.150 nan 0.000 0.511 670 G N 1.278 110.067 108.800 -0.018 0.000 2.176 670 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.232 670 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.232 670 G C 0.866 175.749 174.900 -0.028 0.000 0.986 670 G CA 1.112 46.203 45.100 -0.015 0.000 0.643 670 G HN 2.015 nan 8.290 nan 0.000 0.522 671 T N -2.457 112.073 114.554 -0.039 0.000 3.038 671 T HA 0.406 4.747 4.350 -0.015 0.000 0.244 671 T C 0.749 175.273 174.700 -0.294 0.000 1.016 671 T CA 1.043 63.048 62.100 -0.158 0.000 1.098 671 T CB 0.518 69.339 68.868 -0.078 0.000 0.954 671 T HN 0.255 nan 8.240 nan 0.000 0.469 672 E N 1.645 121.810 120.200 -0.058 0.000 2.070 672 E HA 0.643 4.984 4.350 -0.015 0.000 0.282 672 E C 1.176 177.714 176.600 -0.105 0.000 1.104 672 E CA 0.136 56.544 56.400 0.013 0.000 0.876 672 E CB 0.773 30.541 29.700 0.114 0.000 1.055 672 E HN 0.380 nan 8.360 nan 0.000 0.401 673 A N 3.432 126.110 122.820 -0.236 0.000 1.892 673 A HA -0.228 4.082 4.320 -0.015 0.000 0.218 673 A C 2.009 179.455 177.584 -0.230 0.000 1.188 673 A CA 2.304 54.060 52.037 -0.468 0.000 0.631 673 A CB -0.295 18.175 19.000 -0.884 0.000 0.822 673 A HN 0.605 nan 8.150 nan 0.000 0.447 674 S N -3.814 111.814 115.700 -0.120 0.000 3.624 674 S HA 0.451 4.912 4.470 -0.015 0.000 0.244 674 S C 0.739 175.326 174.600 -0.021 0.000 1.115 674 S CA 1.447 59.627 58.200 -0.033 0.000 0.820 674 S CB -0.125 63.080 63.200 0.009 0.000 0.964 674 S HN 2.269 nan 8.310 nan 0.000 0.508 675 G N 0.394 109.185 108.800 -0.015 0.000 2.722 675 G HA2 -0.077 3.874 3.960 -0.015 0.000 0.686 675 G HA3 -0.077 3.874 3.960 -0.015 0.000 0.686 675 G C 0.252 175.132 174.900 -0.033 0.000 1.282 675 G CA 0.451 45.540 45.100 -0.018 0.000 0.817 675 G HN 1.301 nan 8.290 nan 0.000 0.605 676 T N -1.781 112.739 114.554 -0.056 0.000 3.029 676 T HA 0.382 4.723 4.350 -0.015 0.000 0.256 676 T C 2.415 177.014 174.700 -0.167 0.000 0.914 676 T CA 1.270 63.307 62.100 -0.104 0.000 0.880 676 T CB 0.212 69.009 68.868 -0.117 0.000 1.246 676 T HN 1.927 nan 8.240 nan 0.000 0.523 677 G N 3.320 112.049 108.800 -0.118 0.000 2.469 677 G HA2 -0.332 3.619 3.960 -0.015 0.000 0.219 677 G HA3 -0.332 3.619 3.960 -0.015 0.000 0.219 677 G C 1.461 176.416 174.900 0.092 0.000 1.150 677 G CA 1.354 46.415 45.100 -0.064 0.000 0.763 677 G HN 0.844 nan 8.290 nan 0.000 0.561 678 N N -0.083 118.647 118.700 0.050 0.000 2.060 678 N HA -0.121 4.610 4.740 -0.015 0.000 0.195 678 N C 1.458 176.974 175.510 0.011 0.000 1.028 678 N CA 0.751 53.830 53.050 0.048 0.000 0.861 678 N CB -0.341 38.130 38.487 -0.028 0.000 1.029 678 N HN 0.353 nan 8.380 nan 0.000 0.428 682 M N 0.330 120.015 119.600 0.141 0.000 2.159 682 M HA -0.149 4.322 4.480 -0.015 0.000 0.263 682 M C 1.977 178.329 176.300 0.087 0.000 1.063 682 M CA 1.803 57.156 55.300 0.088 0.000 1.110 682 M CB -0.048 32.591 32.600 0.066 0.000 1.374 682 M HN 0.321 nan 8.290 nan 0.000 0.411 683 L N 0.706 121.977 121.223 0.079 0.000 2.291 683 L HA -0.074 4.257 4.340 -0.015 0.000 0.214 683 L C 1.290 178.204 176.870 0.074 0.000 1.120 683 L CA 1.624 56.518 54.840 0.091 0.000 0.799 683 L CB -0.562 41.560 42.059 0.104 0.000 0.925 683 L HN 0.347 nan 8.230 nan 0.000 0.446 684 N N -0.342 118.391 118.700 0.055 0.000 2.214 684 N HA 0.189 4.920 4.740 -0.015 0.000 0.214 684 N C 0.803 176.348 175.510 0.059 0.000 1.132 684 N CA 0.780 53.856 53.050 0.043 0.000 0.856 684 N CB 0.669 39.157 38.487 0.000 0.000 1.020 684 N HN 0.384 nan 8.380 nan 0.000 0.509 685 G N 0.637 109.480 108.800 0.070 0.000 2.142 685 G HA2 -0.187 3.764 3.960 -0.015 0.000 0.225 685 G HA3 -0.187 3.764 3.960 -0.015 0.000 0.225 685 G C -0.034 174.937 174.900 0.118 0.000 1.015 685 G CA 0.099 45.241 45.100 0.070 0.000 0.716 685 G HN 0.505 nan 8.290 nan 0.000 0.508 686 A N -0.225 122.677 122.820 0.136 0.000 2.312 686 A HA 0.871 5.182 4.320 -0.015 0.000 0.328 686 A C 0.470 178.065 177.584 0.019 0.000 1.158 686 A CA -0.603 51.534 52.037 0.166 0.000 0.821 686 A CB 0.954 20.115 19.000 0.269 0.000 1.170 686 A HN 0.726 nan 8.150 nan 0.000 0.490 687 L N 0.930 122.125 121.223 -0.048 0.000 2.418 687 L HA 0.396 4.726 4.340 -0.015 0.000 0.265 687 L C 0.225 176.971 176.870 -0.207 0.000 1.143 687 L CA -0.250 54.462 54.840 -0.212 0.000 0.809 687 L CB 1.341 43.184 42.059 -0.361 0.000 1.124 687 L HN 0.685 nan 8.230 nan 0.000 0.456 688 T N 3.002 117.301 114.554 -0.425 0.000 2.770 688 T HA 0.423 4.764 4.350 -0.015 0.000 0.283 688 T C -0.297 174.224 174.700 -0.300 0.000 0.988 688 T CA -0.246 61.557 62.100 -0.495 0.000 0.957 688 T CB 1.255 69.616 68.868 -0.845 0.000 0.930 688 T HN 0.339 nan 8.240 nan 0.000 0.443 689 I N 3.296 123.813 120.570 -0.087 0.000 2.315 689 I HA 0.681 4.842 4.170 -0.015 0.000 0.291 689 I C 0.228 176.486 176.117 0.236 0.000 1.006 689 I CA 0.205 61.577 61.300 0.119 0.000 1.265 689 I CB 0.190 38.200 38.000 0.016 0.000 1.387 689 I HN 0.765 nan 8.210 nan 0.000 0.475 690 G N 4.029 113.063 108.800 0.391 0.000 2.646 690 G HA2 0.456 4.407 3.960 -0.015 0.000 0.291 690 G HA3 0.456 4.407 3.960 -0.015 0.000 0.291 690 G C -0.919 173.935 174.900 -0.076 0.000 1.445 690 G CA -0.471 44.776 45.100 0.244 0.000 0.814 690 G HN 0.578 nan 8.290 nan 0.000 0.495 691 T N -1.128 113.235 114.554 -0.317 0.000 2.874 691 T HA 0.488 4.829 4.350 -0.015 0.000 0.281 691 T C 0.765 175.352 174.700 -0.188 0.000 0.994 691 T CA -0.711 61.114 62.100 -0.459 0.000 1.015 691 T CB 1.075 69.688 68.868 -0.426 0.000 1.028 691 T HN 0.258 nan 8.240 nan 0.000 0.523 692 M N 2.908 122.406 119.600 -0.170 0.000 3.254 692 M HA 0.312 4.783 4.480 -0.015 0.000 0.257 692 M C -0.406 175.840 176.300 -0.089 0.000 1.490 692 M CA -0.027 55.208 55.300 -0.109 0.000 1.620 692 M CB -1.902 30.641 32.600 -0.094 0.000 1.157 692 M HN 0.719 nan 8.290 nan 0.000 0.541 693 D N 0.238 120.593 120.400 -0.075 0.000 2.819 693 D HA 0.663 5.294 4.640 -0.015 0.000 0.232 693 D C 0.643 176.921 176.300 -0.035 0.000 1.160 693 D CA 0.744 54.714 54.000 -0.051 0.000 0.858 693 D CB 1.681 42.451 40.800 -0.049 0.000 1.610 693 D HN 0.630 nan 8.370 nan 0.000 0.481 694 G N 2.040 110.827 108.800 -0.021 0.000 2.596 694 G HA2 -0.227 3.724 3.960 -0.015 0.000 0.295 694 G HA3 -0.227 3.724 3.960 -0.015 0.000 0.295 694 G C 1.030 175.924 174.900 -0.010 0.000 1.240 694 G CA 0.942 46.034 45.100 -0.012 0.000 0.985 694 G HN 1.072 nan 8.290 nan 0.000 0.555 695 A N -0.408 122.403 122.820 -0.014 0.000 2.167 695 A HA 0.097 4.408 4.320 -0.015 0.000 0.214 695 A C 2.125 179.654 177.584 -0.092 0.000 1.151 695 A CA 1.820 53.849 52.037 -0.015 0.000 0.735 695 A CB -0.471 18.519 19.000 -0.016 0.000 0.802 695 A HN 0.665 nan 8.150 nan 0.000 0.467 696 N N 0.668 119.318 118.700 -0.083 0.000 2.096 696 N HA -0.180 4.551 4.740 -0.015 0.000 0.195 696 N C 1.589 176.965 175.510 -0.223 0.000 1.017 696 N CA 1.701 54.694 53.050 -0.095 0.000 0.870 696 N CB -0.720 37.768 38.487 0.001 0.000 1.024 696 N HN 0.289 nan 8.380 nan 0.000 0.434 697 V N 1.215 121.046 119.914 -0.139 0.000 2.332 697 V HA -0.220 3.891 4.120 -0.015 0.000 0.248 697 V C 2.012 178.028 176.094 -0.131 0.000 1.055 697 V CA 1.729 63.946 62.300 -0.140 0.000 1.038 697 V CB -0.477 31.301 31.823 -0.074 0.000 0.651 697 V HN 0.370 nan 8.190 nan 0.000 0.450 698 E N -0.678 119.500 120.200 -0.035 0.000 2.152 698 E HA -0.131 4.209 4.350 -0.015 0.000 0.192 698 E C 2.223 178.926 176.600 0.172 0.000 0.983 698 E CA 1.036 57.494 56.400 0.096 0.000 0.818 698 E CB -0.180 29.666 29.700 0.243 0.000 0.758 698 E HN 0.537 nan 8.360 nan 0.000 0.467 699 M N 0.483 120.057 119.600 -0.045 0.000 2.117 699 M HA -0.151 4.320 4.480 -0.015 0.000 0.262 699 M C 2.480 178.537 176.300 -0.405 0.000 1.065 699 M CA 1.547 56.736 55.300 -0.184 0.000 1.114 699 M CB -0.186 32.205 32.600 -0.349 0.000 1.361 699 M HN 0.140 nan 8.290 nan 0.000 0.408 700 A N -0.119 122.185 122.820 -0.860 0.000 1.930 700 A HA -0.212 4.099 4.320 -0.015 0.000 0.217 700 A C 1.974 179.359 177.584 -0.331 0.000 1.175 700 A CA 1.933 53.429 52.037 -0.903 0.000 0.627 700 A CB -0.768 17.718 19.000 -0.857 0.000 0.815 700 A HN 0.591 nan 8.150 nan 0.000 0.443 701 E N -0.316 119.762 120.200 -0.203 0.000 2.072 701 E HA -0.211 4.130 4.350 -0.015 0.000 0.191 701 E C 1.784 178.357 176.600 -0.046 0.000 0.985 701 E CA 1.249 57.592 56.400 -0.095 0.000 0.801 701 E CB -0.098 29.566 29.700 -0.061 0.000 0.750 701 E HN 0.541 nan 8.360 nan 0.000 0.452 702 E N 0.264 120.466 120.200 0.003 0.000 2.047 702 E HA -0.153 4.188 4.350 -0.015 0.000 0.191 702 E C 1.927 178.551 176.600 0.040 0.000 0.987 702 E CA 1.202 57.627 56.400 0.041 0.000 0.799 702 E CB -0.255 29.527 29.700 0.137 0.000 0.752 702 E HN 0.387 nan 8.360 nan 0.000 0.449 703 A N 0.484 123.330 122.820 0.044 0.000 2.067 703 A HA 0.286 4.597 4.320 -0.015 0.000 0.217 703 A C 1.102 178.698 177.584 0.021 0.000 1.156 703 A CA 1.116 53.191 52.037 0.063 0.000 0.683 703 A CB -0.195 18.897 19.000 0.153 0.000 0.808 703 A HN 0.268 nan 8.150 nan 0.000 0.455 704 G N -0.485 108.303 108.800 -0.020 0.000 3.019 704 G HA2 -0.131 3.820 3.960 -0.015 0.000 0.686 704 G HA3 -0.131 3.820 3.960 -0.015 0.000 0.686 704 G C 0.021 174.900 174.900 -0.035 0.000 1.056 704 G CA 0.004 45.085 45.100 -0.032 0.000 0.774 704 G HN 0.325 nan 8.290 nan 0.000 0.583 705 E N 1.200 121.369 120.200 -0.052 0.000 2.209 705 E HA -0.171 4.170 4.350 -0.015 0.000 0.196 705 E C 2.025 178.608 176.600 -0.028 0.000 0.993 705 E CA 1.726 58.102 56.400 -0.040 0.000 0.819 705 E CB 0.069 29.744 29.700 -0.043 0.000 0.745 705 E HN 0.798 nan 8.360 nan 0.000 0.477 706 E N 0.809 120.980 120.200 -0.048 0.000 2.268 706 E HA -0.087 4.254 4.350 -0.015 0.000 0.195 706 E C 0.991 177.500 176.600 -0.153 0.000 0.995 706 E CA 0.653 57.002 56.400 -0.084 0.000 0.836 706 E CB -0.012 29.653 29.700 -0.059 0.000 0.763 706 E HN 0.170 nan 8.360 nan 0.000 0.491 707 N N -0.313 118.327 118.700 -0.100 0.000 2.251 707 N HA 0.145 4.876 4.740 -0.015 0.000 0.217 707 N C -0.963 174.468 175.510 -0.133 0.000 1.124 707 N CA 0.072 53.035 53.050 -0.144 0.000 0.843 707 N CB 0.422 38.879 38.487 -0.051 0.000 1.024 707 N HN 0.044 nan 8.380 nan 0.000 0.501 708 F N -0.241 119.483 119.950 -0.377 0.000 2.588 708 F HA 0.412 4.929 4.527 -0.016 0.000 0.310 708 F C -0.902 174.649 175.800 -0.415 0.000 1.082 708 F CA -1.099 56.718 58.000 -0.306 0.000 0.929 708 F CB 1.362 40.279 39.000 -0.137 0.000 1.254 708 F HN -0.215 nan 8.300 nan 0.000 0.455 709 F N 5.514 125.448 119.950 -0.026 0.000 2.329 709 F HA 0.443 4.961 4.527 -0.015 0.000 0.362 709 F C -0.121 175.810 175.800 0.219 0.000 1.113 709 F CA -0.397 57.639 58.000 0.060 0.000 1.212 709 F CB 0.114 39.094 39.000 -0.033 0.000 1.509 709 F HN 0.075 nan 8.300 nan 0.000 0.546 710 I N 4.304 125.087 120.570 0.355 0.000 2.385 710 I HA 0.408 4.569 4.170 -0.015 0.000 0.294 710 I C -0.323 175.990 176.117 0.326 0.000 0.988 710 I CA -0.668 60.810 61.300 0.296 0.000 1.265 710 I CB 0.948 39.046 38.000 0.162 0.000 1.388 710 I HN 0.368 nan 8.210 nan 0.000 0.480 711 F N 3.742 123.764 119.950 0.120 0.000 2.685 711 F HA 0.941 5.459 4.527 -0.016 0.000 0.315 711 F C 0.010 175.853 175.800 0.072 0.000 1.126 711 F CA -0.660 57.399 58.000 0.098 0.000 0.950 711 F CB 0.962 40.033 39.000 0.119 0.000 1.360 711 F HN 0.752 nan 8.300 nan 0.000 0.469 712 G N 0.909 109.760 108.800 0.084 0.000 2.728 712 G HA2 -0.071 3.880 3.960 -0.015 0.000 0.294 712 G HA3 -0.071 3.880 3.960 -0.015 0.000 0.294 712 G C -0.968 173.895 174.900 -0.061 0.000 1.342 712 G CA -0.642 44.443 45.100 -0.025 0.000 0.866 712 G HN 0.947 nan 8.290 nan 0.000 0.534 713 M N 0.947 120.521 119.600 -0.042 0.000 2.248 713 M HA 0.227 4.698 4.480 -0.015 0.000 0.345 713 M C 1.246 177.507 176.300 -0.064 0.000 1.243 713 M CA -0.081 55.205 55.300 -0.024 0.000 1.090 713 M CB 0.363 32.959 32.600 -0.007 0.000 1.683 713 M HN 0.523 nan 8.290 nan 0.000 0.450 714 R N 1.784 122.261 120.500 -0.039 0.000 2.580 714 R HA 0.216 4.547 4.340 -0.015 0.000 0.267 714 R C 1.259 177.538 176.300 -0.035 0.000 1.125 714 R CA -0.513 55.559 56.100 -0.045 0.000 1.188 714 R CB -0.118 30.163 30.300 -0.031 0.000 1.155 714 R HN 0.577 nan 8.270 nan 0.000 0.586 715 V N 1.521 121.413 119.914 -0.035 0.000 2.282 715 V HA -0.295 3.815 4.120 -0.015 0.000 0.249 715 V C 1.970 178.053 176.094 -0.018 0.000 1.057 715 V CA 2.166 64.450 62.300 -0.028 0.000 1.032 715 V CB -0.468 31.336 31.823 -0.030 0.000 0.645 715 V HN 0.640 nan 8.190 nan 0.000 0.447 716 E N 0.094 120.285 120.200 -0.015 0.000 2.118 716 E HA -0.201 4.140 4.350 -0.015 0.000 0.195 716 E C 1.952 178.556 176.600 0.007 0.000 0.992 716 E CA 1.507 57.904 56.400 -0.005 0.000 0.804 716 E CB -0.338 29.359 29.700 -0.004 0.000 0.741 716 E HN 0.657 nan 8.360 nan 0.000 0.458 717 D N -0.138 120.268 120.400 0.010 0.000 2.144 717 D HA -0.101 4.530 4.640 -0.015 0.000 0.200 717 D C 2.010 178.328 176.300 0.030 0.000 0.978 717 D CA 0.852 54.869 54.000 0.028 0.000 0.833 717 D CB -0.113 40.707 40.800 0.033 0.000 0.961 717 D HN 0.075 nan 8.370 nan 0.000 0.470 718 V N 1.970 121.889 119.914 0.008 0.000 2.295 718 V HA -0.225 3.886 4.120 -0.015 0.000 0.246 718 V C 1.993 178.091 176.094 0.007 0.000 1.049 718 V CA 1.777 64.075 62.300 -0.003 0.000 1.024 718 V CB -0.451 31.360 31.823 -0.020 0.000 0.648 718 V HN 0.017 nan 8.190 nan 0.000 0.447 719 D N -0.194 120.209 120.400 0.005 0.000 2.123 719 D HA -0.155 4.476 4.640 -0.015 0.000 0.196 719 D C 2.405 178.719 176.300 0.022 0.000 0.992 719 D CA 1.265 55.269 54.000 0.007 0.000 0.833 719 D CB -0.282 40.517 40.800 -0.001 0.000 0.954 719 D HN 0.334 nan 8.370 nan 0.000 0.455 720 R N 0.087 120.605 120.500 0.030 0.000 2.083 720 R HA -0.059 4.272 4.340 -0.015 0.000 0.237 720 R C 2.516 178.854 176.300 0.063 0.000 1.137 720 R CA 0.630 56.755 56.100 0.042 0.000 0.951 720 R CB -0.455 29.872 30.300 0.045 0.000 0.851 720 R HN 0.195 nan 8.270 nan 0.000 0.434 721 L N 0.709 121.980 121.223 0.079 0.000 2.012 721 L HA -0.246 4.085 4.340 -0.015 0.000 0.210 721 L C 1.553 178.493 176.870 0.117 0.000 1.073 721 L CA 1.459 56.374 54.840 0.125 0.000 0.748 721 L CB -0.344 41.804 42.059 0.149 0.000 0.891 721 L HN 0.272 nan 8.230 nan 0.000 0.431 722 D N -0.671 119.772 120.400 0.072 0.000 2.178 722 D HA -0.210 4.421 4.640 -0.015 0.000 0.201 722 D C 2.210 178.543 176.300 0.056 0.000 0.980 722 D CA 1.092 55.127 54.000 0.059 0.000 0.842 722 D CB -0.013 40.801 40.800 0.022 0.000 0.948 722 D HN 0.475 nan 8.370 nan 0.000 0.472 723 Q N 0.105 119.934 119.800 0.048 0.000 2.046 723 Q HA -0.035 4.296 4.340 -0.015 0.000 0.200 723 Q C 2.314 178.342 176.000 0.047 0.000 0.975 723 Q CA 0.915 56.742 55.803 0.040 0.000 0.836 723 Q CB 0.056 28.813 28.738 0.032 0.000 0.896 723 Q HN 0.156 nan 8.270 nan 0.000 0.428 724 R N -0.440 120.095 120.500 0.059 0.000 2.092 724 R HA 0.006 4.337 4.340 -0.015 0.000 0.231 724 R C 0.261 176.602 176.300 0.068 0.000 1.119 724 R CA 0.841 56.976 56.100 0.060 0.000 0.970 724 R CB 0.050 30.392 30.300 0.069 0.000 0.864 724 R HN 0.305 nan 8.270 nan 0.000 0.440 725 G N -0.221 108.635 108.800 0.094 0.000 3.367 725 G HA2 -0.240 3.710 3.960 -0.015 0.000 0.686 725 G HA3 -0.240 3.710 3.960 -0.015 0.000 0.686 725 G C -1.383 173.613 174.900 0.161 0.000 1.146 725 G CA -0.751 44.414 45.100 0.109 0.000 0.913 725 G HN 0.248 nan 8.290 nan 0.000 0.554 726 Y N 3.607 123.947 120.300 0.068 0.000 2.480 726 Y HA 0.496 5.037 4.550 -0.015 0.000 0.341 726 Y C 0.595 176.565 175.900 0.116 0.000 1.031 726 Y CA -0.503 57.659 58.100 0.103 0.000 1.295 726 Y CB 0.725 39.227 38.460 0.069 0.000 1.162 726 Y HN 0.571 nan 8.280 nan 0.000 0.523 727 N N 5.209 123.714 118.700 -0.325 0.000 2.621 727 N HA 0.342 5.073 4.740 -0.015 0.000 0.237 727 N C 0.366 175.652 175.510 -0.374 0.000 0.997 727 N CA 0.206 53.078 53.050 -0.297 0.000 0.918 727 N CB 1.039 39.465 38.487 -0.102 0.000 1.122 727 N HN 0.886 nan 8.380 nan 0.000 0.510 728 A N 2.967 125.481 122.820 -0.511 0.000 1.972 728 A HA -0.219 4.092 4.320 -0.015 0.000 0.219 728 A C 2.029 179.766 177.584 0.256 0.000 1.169 728 A CA 1.272 53.235 52.037 -0.124 0.000 0.635 728 A CB -0.386 18.499 19.000 -0.192 0.000 0.810 728 A HN 0.771 nan 8.150 nan 0.000 0.446 729 Q N 0.209 120.052 119.800 0.072 0.000 2.112 729 Q HA -0.244 4.087 4.340 -0.015 0.000 0.206 729 Q C 1.903 177.979 176.000 0.126 0.000 0.987 729 Q CA 2.323 58.182 55.803 0.093 0.000 0.858 729 Q CB -0.370 28.379 28.738 0.018 0.000 0.905 729 Q HN 0.767 nan 8.270 nan 0.000 0.420 730 E N -1.376 118.834 120.200 0.017 0.000 2.114 730 E HA -0.261 4.080 4.350 -0.015 0.000 0.199 730 E C 1.567 178.084 176.600 -0.138 0.000 1.008 730 E CA 1.641 57.974 56.400 -0.111 0.000 0.810 730 E CB -0.226 29.311 29.700 -0.272 0.000 0.739 730 E HN 0.604 nan 8.360 nan 0.000 0.456 731 Y N -1.336 119.021 120.300 0.095 0.000 2.220 731 Y HA -0.180 4.361 4.550 -0.015 0.000 0.291 731 Y C 2.174 178.050 175.900 -0.040 0.000 1.129 731 Y CA 1.404 59.544 58.100 0.066 0.000 1.161 731 Y CB -0.573 37.983 38.460 0.160 0.000 0.997 731 Y HN 0.223 nan 8.280 nan 0.000 0.522 732 Y N 1.249 121.545 120.300 -0.006 0.000 2.224 732 Y HA -0.237 4.304 4.550 -0.015 0.000 0.289 732 Y C 1.666 177.518 175.900 -0.082 0.000 1.146 732 Y CA 1.690 59.710 58.100 -0.133 0.000 1.182 732 Y CB -0.318 38.111 38.460 -0.051 0.000 0.983 732 Y HN 0.081 nan 8.280 nan 0.000 0.524 733 D N -0.384 120.092 120.400 0.127 0.000 2.234 733 D HA -0.050 4.581 4.640 -0.015 0.000 0.205 733 D C 1.698 177.968 176.300 -0.049 0.000 0.962 733 D CA 0.996 55.021 54.000 0.042 0.000 0.855 733 D CB -0.023 40.825 40.800 0.080 0.000 0.951 733 D HN 0.477 nan 8.370 nan 0.000 0.500 734 R N -0.243 120.227 120.500 -0.051 0.000 2.365 734 R HA 0.305 4.636 4.340 -0.015 0.000 0.223 734 R C 0.292 176.568 176.300 -0.040 0.000 0.899 734 R CA 0.045 56.118 56.100 -0.044 0.000 1.059 734 R CB 1.340 31.614 30.300 -0.044 0.000 1.086 734 R HN 0.110 nan 8.270 nan 0.000 0.522 735 I N 2.129 122.653 120.570 -0.076 0.000 2.464 735 I HA 0.235 4.395 4.170 -0.015 0.000 0.277 735 I C -1.996 174.020 176.117 -0.168 0.000 1.040 735 I CA -2.279 58.979 61.300 -0.070 0.000 1.153 735 I CB 2.177 40.168 38.000 -0.014 0.000 1.274 735 I HN -0.285 nan 8.210 nan 0.000 0.469 736 P HA -0.126 nan 4.420 nan 0.000 0.218 736 P C 1.179 178.378 177.300 -0.169 0.000 1.149 736 P CA 1.256 64.257 63.100 -0.165 0.000 0.817 736 P CB 0.335 31.974 31.700 -0.103 0.000 0.785 737 E N -0.839 119.298 120.200 -0.105 0.000 2.110 737 E HA -0.161 4.180 4.350 -0.015 0.000 0.193 737 E C 1.852 178.346 176.600 -0.177 0.000 0.988 737 E CA 0.716 57.072 56.400 -0.074 0.000 0.804 737 E CB -0.592 29.140 29.700 0.054 0.000 0.745 737 E HN 0.120 nan 8.360 nan 0.000 0.458 738 L N 1.255 122.275 121.223 -0.338 0.000 2.056 738 L HA -0.137 4.194 4.340 -0.015 0.000 0.207 738 L C 2.373 178.962 176.870 -0.468 0.000 1.078 738 L CA 1.612 56.089 54.840 -0.605 0.000 0.749 738 L CB -0.311 41.232 42.059 -0.860 0.000 0.901 738 L HN -0.081 nan 8.230 nan 0.000 0.433 739 R N -0.829 119.365 120.500 -0.511 0.000 2.080 739 R HA -0.256 4.075 4.340 -0.015 0.000 0.236 739 R C 2.416 178.541 176.300 -0.290 0.000 1.137 739 R CA 2.121 57.838 56.100 -0.639 0.000 0.943 739 R CB -0.430 29.428 30.300 -0.736 0.000 0.846 739 R HN 0.590 nan 8.270 nan 0.000 0.431 740 Q N 0.408 120.076 119.800 -0.221 0.000 2.077 740 Q HA -0.218 4.113 4.340 -0.015 0.000 0.206 740 Q C 2.104 178.052 176.000 -0.087 0.000 0.989 740 Q CA 2.266 57.987 55.803 -0.137 0.000 0.853 740 Q CB -0.172 28.487 28.738 -0.132 0.000 0.907 740 Q HN 0.492 nan 8.270 nan 0.000 0.418 741 I N 0.518 121.036 120.570 -0.087 0.000 2.163 741 I HA -0.309 3.851 4.170 -0.015 0.000 0.243 741 I C 2.219 178.364 176.117 0.048 0.000 1.085 741 I CA 0.765 62.058 61.300 -0.012 0.000 1.347 741 I CB -0.368 37.599 38.000 -0.054 0.000 1.044 741 I HN 0.316 nan 8.210 nan 0.000 0.408 742 I N 0.825 121.417 120.570 0.036 0.000 2.179 742 I HA -0.260 3.901 4.170 -0.015 0.000 0.242 742 I C 2.529 178.746 176.117 0.167 0.000 1.088 742 I CA 1.674 63.063 61.300 0.148 0.000 1.357 742 I CB -1.344 36.825 38.000 0.282 0.000 1.051 742 I HN 0.346 nan 8.210 nan 0.000 0.409 743 E N 0.336 120.617 120.200 0.134 0.000 2.085 743 E HA -0.268 4.072 4.350 -0.015 0.000 0.194 743 E C 2.175 178.844 176.600 0.115 0.000 0.994 743 E CA 1.252 57.723 56.400 0.118 0.000 0.801 743 E CB -0.167 29.569 29.700 0.061 0.000 0.743 743 E HN 0.598 nan 8.360 nan 0.000 0.453 744 Q N 0.375 120.229 119.800 0.090 0.000 2.084 744 Q HA -0.137 4.194 4.340 -0.015 0.000 0.202 744 Q C 2.403 178.597 176.000 0.324 0.000 0.978 744 Q CA 0.991 56.870 55.803 0.126 0.000 0.844 744 Q CB -0.072 28.670 28.738 0.007 0.000 0.898 744 Q HN 0.305 nan 8.270 nan 0.000 0.426 745 L N -0.101 121.316 121.223 0.323 0.000 2.017 745 L HA -0.204 4.127 4.340 -0.015 0.000 0.208 745 L C 2.469 179.527 176.870 0.314 0.000 1.073 745 L CA 1.033 56.077 54.840 0.341 0.000 0.745 745 L CB -0.417 41.755 42.059 0.188 0.000 0.894 745 L HN 0.149 nan 8.230 nan 0.000 0.432 746 S N -0.259 115.579 115.700 0.231 0.000 2.368 746 S HA -0.156 4.305 4.470 -0.015 0.000 0.225 746 S C 2.080 176.785 174.600 0.175 0.000 1.030 746 S CA 1.588 59.902 58.200 0.190 0.000 0.999 746 S CB -0.225 63.066 63.200 0.152 0.000 0.844 746 S HN 0.607 nan 8.310 nan 0.000 0.459 747 S N 0.316 116.120 115.700 0.173 0.000 2.522 747 S HA 0.311 4.772 4.470 -0.015 0.000 0.227 747 S C 1.377 176.068 174.600 0.151 0.000 0.986 747 S CA 0.734 59.020 58.200 0.143 0.000 0.929 747 S CB -0.006 63.270 63.200 0.127 0.000 0.769 747 S HN 0.832 nan 8.310 nan 0.000 0.529 748 G N 0.505 109.427 108.800 0.203 0.000 2.131 748 G HA2 -0.261 3.690 3.960 -0.015 0.000 0.201 748 G HA3 -0.261 3.690 3.960 -0.015 0.000 0.201 748 G C 0.145 175.136 174.900 0.152 0.000 1.000 748 G CA 0.066 45.273 45.100 0.178 0.000 0.680 748 G HN 0.499 nan 8.290 nan 0.000 0.514 749 F N 0.176 120.135 119.950 0.014 0.000 2.216 749 F HA 0.210 4.727 4.527 -0.015 0.000 0.300 749 F C 1.868 177.463 175.800 -0.341 0.000 1.085 749 F CA 1.911 59.791 58.000 -0.200 0.000 1.326 749 F CB -0.011 38.787 39.000 -0.337 0.000 1.027 749 F HN 0.183 nan 8.300 nan 0.000 0.497 750 F N -0.551 119.520 119.950 0.202 0.000 2.695 750 F HA 0.203 4.721 4.527 -0.015 0.000 0.303 750 F C 0.681 176.584 175.800 0.172 0.000 1.091 750 F CA 0.172 58.251 58.000 0.132 0.000 1.300 750 F CB -0.034 39.059 39.000 0.154 0.000 1.071 750 F HN -0.063 nan 8.300 nan 0.000 0.578 751 S N -1.475 114.374 115.700 0.250 0.000 2.440 751 S HA 0.338 4.799 4.470 -0.015 0.000 0.142 751 S C -2.494 172.122 174.600 0.027 0.000 1.578 751 S CA -1.085 57.182 58.200 0.112 0.000 1.260 751 S CB 1.010 64.225 63.200 0.025 0.000 1.407 751 S HN -0.180 nan 8.310 nan 0.000 0.392 752 P HA -0.012 nan 4.420 nan 0.000 0.217 752 P C 1.026 178.312 177.300 -0.024 0.000 1.150 752 P CA 1.106 64.178 63.100 -0.047 0.000 0.832 752 P CB 0.112 31.756 31.700 -0.095 0.000 0.787 753 K N -1.065 119.323 120.400 -0.021 0.000 2.305 753 K HA 0.026 4.337 4.320 -0.015 0.000 0.199 753 K C 0.647 177.242 176.600 -0.007 0.000 1.047 753 K CA 0.738 57.017 56.287 -0.014 0.000 0.976 753 K CB 0.059 32.552 32.500 -0.013 0.000 0.765 753 K HN 0.277 nan 8.250 nan 0.000 0.474 754 Q N -0.077 119.716 119.800 -0.011 0.000 2.907 754 Q HA 0.165 4.495 4.340 -0.015 0.000 0.262 754 Q C -2.376 173.615 176.000 -0.015 0.000 0.997 754 Q CA -1.675 54.118 55.803 -0.016 0.000 0.797 754 Q CB 1.472 30.194 28.738 -0.028 0.000 1.228 754 Q HN -0.088 nan 8.270 nan 0.000 0.466 755 P HA -0.218 nan 4.420 nan 0.000 0.218 755 P C 0.603 177.937 177.300 0.056 0.000 1.146 755 P CA 1.412 64.537 63.100 0.043 0.000 0.813 755 P CB 0.214 31.941 31.700 0.044 0.000 0.778 756 D N -1.414 119.004 120.400 0.029 0.000 2.340 756 D HA -0.007 4.624 4.640 -0.015 0.000 0.217 756 D C 1.642 177.942 176.300 -0.000 0.000 1.081 756 D CA -0.210 53.815 54.000 0.042 0.000 0.842 756 D CB -0.711 40.114 40.800 0.042 0.000 0.934 756 D HN 0.032 nan 8.370 nan 0.000 0.511 757 L N 0.021 121.180 121.223 -0.107 0.000 2.051 757 L HA -0.105 4.225 4.340 -0.015 0.000 0.214 757 L C 1.261 177.927 176.870 -0.340 0.000 1.076 757 L CA 1.709 56.370 54.840 -0.299 0.000 0.758 757 L CB -0.641 41.061 42.059 -0.595 0.000 0.890 757 L HN -0.017 nan 8.230 nan 0.000 0.433 758 F N -0.678 119.328 119.950 0.093 0.000 2.645 758 F HA 0.115 4.633 4.527 -0.015 0.000 0.300 758 F C 1.873 177.722 175.800 0.083 0.000 1.115 758 F CA -0.077 57.968 58.000 0.074 0.000 1.355 758 F CB -0.267 38.766 39.000 0.055 0.000 1.026 758 F HN 0.125 nan 8.300 nan 0.000 0.536 759 K N -0.349 120.170 120.400 0.198 0.000 2.147 759 K HA -0.181 4.130 4.320 -0.015 0.000 0.205 759 K C 1.084 177.785 176.600 0.168 0.000 1.049 759 K CA 1.847 58.233 56.287 0.165 0.000 0.936 759 K CB -0.245 32.329 32.500 0.124 0.000 0.722 759 K HN 0.073 nan 8.250 nan 0.000 0.446 760 D N 1.362 121.875 120.400 0.189 0.000 2.117 760 D HA -0.105 4.526 4.640 -0.015 0.000 0.197 760 D C 2.025 178.421 176.300 0.159 0.000 0.987 760 D CA 1.249 55.373 54.000 0.206 0.000 0.829 760 D CB -0.090 40.878 40.800 0.280 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.460 761 I N 0.417 121.080 120.570 0.155 0.000 2.163 761 I HA -0.215 3.946 4.170 -0.015 0.000 0.240 761 I C 2.502 178.641 176.117 0.037 0.000 1.081 761 I CA 0.581 61.930 61.300 0.081 0.000 1.353 761 I CB -0.294 37.754 38.000 0.080 0.000 1.054 761 I HN -0.119 nan 8.210 nan 0.000 0.407 762 V N 1.329 121.296 119.914 0.087 0.000 2.287 762 V HA -0.315 3.796 4.120 -0.015 0.000 0.248 762 V C 2.280 178.372 176.094 -0.003 0.000 1.053 762 V CA 2.433 64.773 62.300 0.067 0.000 1.027 762 V CB -0.967 30.925 31.823 0.115 0.000 0.646 762 V HN 0.479 nan 8.190 nan 0.000 0.447 763 N N -0.146 118.584 118.700 0.051 0.000 2.069 763 N HA -0.216 4.515 4.740 -0.015 0.000 0.191 763 N C 1.838 177.300 175.510 -0.080 0.000 1.031 763 N CA 1.951 55.056 53.050 0.092 0.000 0.852 763 N CB -0.303 38.308 38.487 0.207 0.000 1.018 763 N HN 0.351 nan 8.380 nan 0.000 0.423 764 M N -0.303 119.162 119.600 -0.226 0.000 2.099 764 M HA -0.090 4.381 4.480 -0.015 0.000 0.262 764 M C 1.399 177.411 176.300 -0.480 0.000 1.067 764 M CA 1.237 56.113 55.300 -0.707 0.000 1.124 764 M CB -0.628 31.732 32.600 -0.399 0.000 1.353 764 M HN 0.190 nan 8.290 nan 0.000 0.410 765 L N 0.782 121.812 121.223 -0.322 0.000 2.042 765 L HA -0.206 4.125 4.340 -0.015 0.000 0.210 765 L C 2.460 179.013 176.870 -0.528 0.000 1.076 765 L CA 1.651 56.224 54.840 -0.445 0.000 0.749 765 L CB -1.154 40.691 42.059 -0.356 0.000 0.893 765 L HN 0.341 nan 8.230 nan 0.000 0.432 766 M N -1.901 117.453 119.600 -0.409 0.000 2.236 766 M HA -0.075 4.396 4.480 -0.015 0.000 0.266 766 M C 1.887 177.824 176.300 -0.605 0.000 1.070 766 M CA 1.454 56.434 55.300 -0.533 0.000 1.137 766 M CB -0.808 31.325 32.600 -0.778 0.000 1.378 766 M HN 0.335 nan 8.290 nan 0.000 0.426 767 H N -2.145 116.881 119.070 -0.073 0.000 2.926 767 H HA 0.186 4.733 4.556 -0.015 0.000 0.249 767 H C 0.192 175.578 175.328 0.097 0.000 0.963 767 H CA 0.674 56.734 56.048 0.020 0.000 1.158 767 H CB 0.150 29.965 29.762 0.088 0.000 1.445 767 H HN 0.570 nan 8.280 nan 0.000 0.452 768 H N -1.187 117.940 119.070 0.096 0.000 2.712 768 H HA 0.309 4.856 4.556 -0.015 0.000 0.226 768 H C -1.226 174.123 175.328 0.035 0.000 1.422 768 H CA -0.631 55.460 56.048 0.072 0.000 1.270 768 H CB 0.061 29.867 29.762 0.073 0.000 1.891 768 H HN -0.142 nan 8.280 nan 0.000 0.518 769 D N 1.474 121.861 120.400 -0.022 0.000 2.411 769 D HA 0.134 4.765 4.640 -0.015 0.000 0.225 769 D C 0.859 177.077 176.300 -0.136 0.000 1.156 769 D CA -0.474 53.485 54.000 -0.069 0.000 0.874 769 D CB 0.760 41.505 40.800 -0.091 0.000 1.034 769 D HN 0.526 nan 8.370 nan 0.000 0.502 770 R N 2.300 122.619 120.500 -0.301 0.000 2.237 770 R HA -0.054 4.277 4.340 -0.015 0.000 0.219 770 R C 0.605 176.393 176.300 -0.853 0.000 1.080 770 R CA 0.924 56.630 56.100 -0.658 0.000 0.995 770 R CB 0.082 29.761 30.300 -1.035 0.000 0.875 770 R HN 0.408 nan 8.270 nan 0.000 0.462 771 F N 0.229 120.118 119.950 -0.102 0.000 2.661 771 F HA 0.281 4.799 4.527 -0.015 0.000 0.306 771 F C 0.043 175.701 175.800 -0.236 0.000 1.094 771 F CA -0.685 57.244 58.000 -0.118 0.000 1.254 771 F CB 0.237 39.230 39.000 -0.012 0.000 1.040 771 F HN -0.247 nan 8.300 nan 0.000 0.562 772 K N -0.367 119.814 120.400 -0.365 0.000 3.150 772 K HA -0.170 4.141 4.320 -0.015 0.000 0.267 772 K C 0.935 177.390 176.600 -0.241 0.000 1.028 772 K CA 0.216 56.099 56.287 -0.674 0.000 0.753 772 K CB -1.928 30.141 32.500 -0.718 0.000 1.288 772 K HN 0.210 nan 8.250 nan 0.000 0.473 773 V N -0.060 119.783 119.914 -0.119 0.000 2.287 773 V HA -0.285 3.826 4.120 -0.015 0.000 0.248 773 V C 1.953 178.162 176.094 0.192 0.000 1.053 773 V CA 2.327 64.639 62.300 0.020 0.000 1.027 773 V CB -0.508 31.315 31.823 0.001 0.000 0.646 773 V HN 0.483 nan 8.190 nan 0.000 0.447 774 F N 0.220 120.172 119.950 0.005 0.000 2.216 774 F HA -0.153 4.365 4.527 -0.015 0.000 0.300 774 F C 2.528 178.115 175.800 -0.354 0.000 1.085 774 F CA 0.599 58.550 58.000 -0.082 0.000 1.326 774 F CB -0.388 38.583 39.000 -0.048 0.000 1.027 774 F HN 0.191 nan 8.300 nan 0.000 0.497 775 A N -0.473 122.174 122.820 -0.290 0.000 2.019 775 A HA -0.196 4.115 4.320 -0.015 0.000 0.219 775 A C 1.456 179.022 177.584 -0.031 0.000 1.164 775 A CA 1.866 53.643 52.037 -0.434 0.000 0.644 775 A CB -0.453 18.451 19.000 -0.160 0.000 0.805 775 A HN 0.228 nan 8.150 nan 0.000 0.449 776 D N -2.852 117.596 120.400 0.080 0.000 2.369 776 D HA 0.097 4.728 4.640 -0.015 0.000 0.211 776 D C 1.128 177.591 176.300 0.272 0.000 1.077 776 D CA -0.048 54.078 54.000 0.210 0.000 0.842 776 D CB -0.078 40.863 40.800 0.236 0.000 0.947 776 D HN 0.591 nan 8.370 nan 0.000 0.509 777 Y N 2.078 122.460 120.300 0.137 0.000 2.114 777 Y HA -0.191 4.351 4.550 -0.015 0.000 0.284 777 Y C 2.065 178.052 175.900 0.145 0.000 1.143 777 Y CA 1.828 60.022 58.100 0.156 0.000 1.135 777 Y CB 0.169 38.699 38.460 0.116 0.000 0.980 777 Y HN -0.121 nan 8.280 nan 0.000 0.499 778 E N 0.060 120.343 120.200 0.139 0.000 2.038 778 E HA -0.252 4.089 4.350 -0.015 0.000 0.195 778 E C 2.166 178.741 176.600 -0.042 0.000 1.000 778 E CA 1.674 58.084 56.400 0.018 0.000 0.803 778 E CB -0.195 29.609 29.700 0.173 0.000 0.750 778 E HN 0.643 nan 8.360 nan 0.000 0.448 779 E N -0.143 120.106 120.200 0.082 0.000 2.110 779 E HA -0.199 4.142 4.350 -0.015 0.000 0.193 779 E C 1.968 178.569 176.600 0.001 0.000 0.988 779 E CA 0.783 57.252 56.400 0.116 0.000 0.804 779 E CB -0.169 29.688 29.700 0.261 0.000 0.745 779 E HN 0.265 nan 8.360 nan 0.000 0.458 780 Y N 1.520 121.638 120.300 -0.303 0.000 2.114 780 Y HA -0.248 4.293 4.550 -0.015 0.000 0.284 780 Y C 2.202 177.710 175.900 -0.654 0.000 1.143 780 Y CA 1.093 58.682 58.100 -0.852 0.000 1.135 780 Y CB -0.598 37.393 38.460 -0.782 0.000 0.980 780 Y HN -0.211 nan 8.280 nan 0.000 0.499 781 V N 0.627 120.178 119.914 -0.606 0.000 2.287 781 V HA -0.350 3.761 4.120 -0.015 0.000 0.248 781 V C 2.328 178.191 176.094 -0.384 0.000 1.053 781 V CA 2.461 64.424 62.300 -0.562 0.000 1.027 781 V CB -0.653 30.865 31.823 -0.508 0.000 0.646 781 V HN 0.318 nan 8.190 nan 0.000 0.447 782 K N -0.889 119.355 120.400 -0.259 0.000 2.026 782 K HA -0.214 4.097 4.320 -0.015 0.000 0.208 782 K C 2.299 178.809 176.600 -0.149 0.000 1.048 782 K CA 1.771 57.971 56.287 -0.145 0.000 0.929 782 K CB -0.653 31.811 32.500 -0.060 0.000 0.713 782 K HN 0.541 nan 8.250 nan 0.000 0.439 783 C N 1.340 120.530 119.300 -0.184 0.000 2.425 783 C HA -0.107 4.344 4.460 -0.015 0.000 0.277 783 C C 2.601 177.409 174.990 -0.302 0.000 1.280 783 C CA 0.842 59.779 59.018 -0.135 0.000 1.744 783 C CB -0.671 27.018 27.740 -0.085 0.000 1.989 783 C HN 0.434 nan 8.230 nan 0.000 0.491 784 Q N 0.445 119.922 119.800 -0.538 0.000 2.170 784 Q HA -0.160 4.171 4.340 -0.015 0.000 0.203 784 Q C 2.019 177.821 176.000 -0.331 0.000 0.976 784 Q CA 1.610 57.049 55.803 -0.607 0.000 0.858 784 Q CB -0.379 27.736 28.738 -1.037 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.227 120.295 120.200 -0.221 0.000 2.072 785 E HA -0.140 4.201 4.350 -0.015 0.000 0.191 785 E C 2.064 178.624 176.600 -0.068 0.000 0.985 785 E CA 0.585 56.919 56.400 -0.110 0.000 0.801 785 E CB -0.066 29.591 29.700 -0.072 0.000 0.750 785 E HN 0.267 nan 8.360 nan 0.000 0.452 786 R N 0.573 121.041 120.500 -0.053 0.000 2.120 786 R HA -0.097 4.234 4.340 -0.015 0.000 0.234 786 R C 2.405 178.715 176.300 0.016 0.000 1.123 786 R CA 0.895 57.031 56.100 0.061 0.000 0.975 786 R CB -0.337 30.074 30.300 0.184 0.000 0.866 786 R HN 0.075 nan 8.270 nan 0.000 0.446 787 V N 0.548 120.256 119.914 -0.344 0.000 2.261 787 V HA -0.242 3.869 4.120 -0.015 0.000 0.246 787 V C 2.230 178.308 176.094 -0.027 0.000 1.047 787 V CA 1.985 63.984 62.300 -0.501 0.000 1.015 787 V CB -0.422 30.987 31.823 -0.689 0.000 0.642 787 V HN 0.277 nan 8.190 nan 0.000 0.446 788 S N 0.167 115.823 115.700 -0.074 0.000 2.370 788 S HA -0.218 4.242 4.470 -0.015 0.000 0.226 788 S C 2.238 176.900 174.600 0.104 0.000 1.033 788 S CA 1.502 59.699 58.200 -0.005 0.000 1.011 788 S CB -0.606 62.566 63.200 -0.047 0.000 0.852 788 S HN 0.655 nan 8.310 nan 0.000 0.457 789 A N 1.507 124.387 122.820 0.100 0.000 1.892 789 A HA -0.095 4.216 4.320 -0.015 0.000 0.218 789 A C 2.122 179.826 177.584 0.199 0.000 1.188 789 A CA 1.375 53.493 52.037 0.135 0.000 0.631 789 A CB -0.839 18.230 19.000 0.115 0.000 0.822 789 A HN 0.467 nan 8.150 nan 0.000 0.447 790 L N -2.177 119.226 121.223 0.299 0.000 2.093 790 L HA -0.150 4.181 4.340 -0.015 0.000 0.208 790 L C 2.467 179.625 176.870 0.480 0.000 1.085 790 L CA 1.828 56.921 54.840 0.422 0.000 0.755 790 L CB -0.407 42.012 42.059 0.600 0.000 0.904 790 L HN 0.624 nan 8.230 nan 0.000 0.435 791 Y N 0.898 121.345 120.300 0.244 0.000 2.421 791 Y HA -0.215 4.327 4.550 -0.014 0.000 0.292 791 Y C 2.414 178.254 175.900 -0.100 0.000 1.136 791 Y CA 1.381 59.370 58.100 -0.186 0.000 1.255 791 Y CB -0.020 38.081 38.460 -0.599 0.000 0.991 791 Y HN 0.069 nan 8.280 nan 0.000 0.552 792 K N -0.173 120.282 120.400 0.091 0.000 2.280 792 K HA -0.165 4.146 4.320 -0.015 0.000 0.202 792 K C 0.388 176.974 176.600 -0.022 0.000 1.047 792 K CA 0.960 57.275 56.287 0.048 0.000 0.942 792 K CB -0.151 32.410 32.500 0.101 0.000 0.739 792 K HN 0.081 nan 8.250 nan 0.000 0.457 793 N N 0.494 119.199 118.700 0.009 0.000 2.898 793 N HA 0.131 4.862 4.740 -0.015 0.000 0.245 793 N C -2.410 173.107 175.510 0.013 0.000 1.185 793 N CA -2.335 50.724 53.050 0.015 0.000 0.879 793 N CB 1.240 39.767 38.487 0.066 0.000 1.157 793 N HN -0.204 nan 8.380 nan 0.000 0.503 794 P HA -0.154 nan 4.420 nan 0.000 0.216 794 P C 1.386 178.699 177.300 0.023 0.000 1.150 794 P CA 0.995 64.022 63.100 -0.122 0.000 0.843 794 P CB 0.418 32.013 31.700 -0.175 0.000 0.787 795 R N 0.204 120.716 120.500 0.019 0.000 2.073 795 R HA -0.150 4.181 4.340 -0.015 0.000 0.234 795 R C 1.905 178.249 176.300 0.074 0.000 1.134 795 R CA 1.446 57.569 56.100 0.039 0.000 0.952 795 R CB -0.373 29.940 30.300 0.022 0.000 0.850 795 R HN 0.085 nan 8.270 nan 0.000 0.433 796 E N -0.148 120.106 120.200 0.091 0.000 2.216 796 E HA -0.199 4.142 4.350 -0.015 0.000 0.192 796 E C 1.593 178.272 176.600 0.133 0.000 0.988 796 E CA 0.494 56.951 56.400 0.095 0.000 0.834 796 E CB -0.377 29.376 29.700 0.088 0.000 0.772 796 E HN 0.516 nan 8.360 nan 0.000 0.479 797 W N 2.214 123.517 121.300 0.005 0.000 2.335 797 W HA -0.186 4.464 4.660 -0.016 0.000 0.311 797 W C 1.537 178.068 176.519 0.020 0.000 1.213 797 W CA 2.067 59.431 57.345 0.032 0.000 1.274 797 W CB -0.375 29.074 29.460 -0.018 0.000 1.148 797 W HN 0.020 nan 8.180 nan 0.000 0.498 798 T N 1.170 115.863 114.554 0.231 0.000 2.867 798 T HA -0.144 4.197 4.350 -0.015 0.000 0.268 798 T C 1.835 176.547 174.700 0.021 0.000 1.057 798 T CA 1.572 63.741 62.100 0.114 0.000 1.136 798 T CB -0.254 68.668 68.868 0.089 0.000 0.874 798 T HN 0.182 nan 8.240 nan 0.000 0.466 799 R N 0.480 120.998 120.500 0.029 0.000 2.092 799 R HA 0.122 4.453 4.340 -0.015 0.000 0.231 799 R C 2.498 178.790 176.300 -0.013 0.000 1.119 799 R CA 1.114 57.230 56.100 0.027 0.000 0.970 799 R CB -0.339 29.983 30.300 0.036 0.000 0.864 799 R HN 0.355 nan 8.270 nan 0.000 0.440 800 M N 0.566 120.123 119.600 -0.073 0.000 2.132 800 M HA -0.145 4.326 4.480 -0.015 0.000 0.263 800 M C 1.982 178.192 176.300 -0.150 0.000 1.065 800 M CA 1.413 56.632 55.300 -0.136 0.000 1.122 800 M CB 0.127 32.589 32.600 -0.230 0.000 1.365 800 M HN -0.020 nan 8.290 nan 0.000 0.411 801 V N 0.981 120.781 119.914 -0.191 0.000 2.287 801 V HA -0.329 3.782 4.120 -0.015 0.000 0.248 801 V C 2.224 178.300 176.094 -0.030 0.000 1.053 801 V CA 2.169 64.391 62.300 -0.129 0.000 1.027 801 V CB -0.637 31.134 31.823 -0.088 0.000 0.646 801 V HN 0.517 nan 8.190 nan 0.000 0.447 802 I N -0.737 119.837 120.570 0.006 0.000 2.264 802 I HA -0.265 3.895 4.170 -0.015 0.000 0.248 802 I C 2.709 178.878 176.117 0.086 0.000 1.111 802 I CA 1.589 62.942 61.300 0.088 0.000 1.382 802 I CB -0.417 37.689 38.000 0.177 0.000 1.060 802 I HN 0.198 nan 8.210 nan 0.000 0.418 803 R N 0.411 120.939 120.500 0.046 0.000 2.115 803 R HA -0.100 4.231 4.340 -0.015 0.000 0.230 803 R C 2.046 178.377 176.300 0.052 0.000 1.111 803 R CA 1.107 57.232 56.100 0.042 0.000 0.976 803 R CB -0.326 29.983 30.300 0.015 0.000 0.870 803 R HN 0.535 nan 8.270 nan 0.000 0.445 804 N N 0.573 119.297 118.700 0.040 0.000 2.109 804 N HA -0.104 4.627 4.740 -0.015 0.000 0.188 804 N C 1.958 177.526 175.510 0.096 0.000 1.034 804 N CA 1.128 54.223 53.050 0.075 0.000 0.846 804 N CB -0.070 38.438 38.487 0.035 0.000 1.010 804 N HN 0.110 nan 8.380 nan 0.000 0.425 805 I N 1.669 122.284 120.570 0.077 0.000 2.194 805 I HA -0.270 3.891 4.170 -0.015 0.000 0.246 805 I C 2.436 178.605 176.117 0.086 0.000 1.093 805 I CA 1.034 62.384 61.300 0.084 0.000 1.355 805 I CB -0.330 37.714 38.000 0.073 0.000 1.046 805 I HN 0.123 nan 8.210 nan 0.000 0.413 806 A N 0.191 123.060 122.820 0.082 0.000 2.067 806 A HA -0.154 4.157 4.320 -0.015 0.000 0.219 806 A C 2.106 179.729 177.584 0.065 0.000 1.158 806 A CA 2.001 54.077 52.037 0.065 0.000 0.661 806 A CB -0.805 18.236 19.000 0.069 0.000 0.801 806 A HN 0.546 nan 8.150 nan 0.000 0.452 807 T N -3.126 111.482 114.554 0.091 0.000 3.129 807 T HA 0.151 4.492 4.350 -0.015 0.000 0.267 807 T C 1.237 176.039 174.700 0.170 0.000 1.018 807 T CA 0.682 62.842 62.100 0.099 0.000 0.903 807 T CB -0.198 68.726 68.868 0.092 0.000 1.067 807 T HN 0.489 nan 8.240 nan 0.000 0.549 808 S N 0.342 116.161 115.700 0.198 0.000 2.603 808 S HA 0.237 4.698 4.470 -0.015 0.000 0.220 808 S C 2.205 176.959 174.600 0.258 0.000 0.967 808 S CA 0.301 58.703 58.200 0.337 0.000 0.920 808 S CB -0.719 62.636 63.200 0.259 0.000 0.773 808 S HN 0.528 nan 8.310 nan 0.000 0.529 809 G N 2.768 111.630 108.800 0.104 0.000 2.469 809 G HA2 -0.318 3.633 3.960 -0.015 0.000 0.219 809 G HA3 -0.318 3.633 3.960 -0.015 0.000 0.219 809 G C 1.318 176.174 174.900 -0.074 0.000 1.150 809 G CA 1.100 46.221 45.100 0.035 0.000 0.763 809 G HN 0.643 nan 8.290 nan 0.000 0.561 810 K N -0.151 120.079 120.400 -0.284 0.000 2.211 810 K HA -0.044 4.266 4.320 -0.015 0.000 0.204 810 K C 1.280 177.551 176.600 -0.547 0.000 1.047 810 K CA 0.925 56.889 56.287 -0.538 0.000 0.935 810 K CB -0.295 31.677 32.500 -0.879 0.000 0.728 810 K HN 0.408 nan 8.250 nan 0.000 0.452 811 F N 0.774 120.755 119.950 0.051 0.000 2.645 811 F HA 0.174 4.691 4.527 -0.016 0.000 0.300 811 F C 0.699 176.546 175.800 0.079 0.000 1.115 811 F CA -0.650 57.387 58.000 0.062 0.000 1.355 811 F CB 0.481 39.513 39.000 0.054 0.000 1.026 811 F HN -0.120 nan 8.300 nan 0.000 0.536 812 S N 0.446 116.234 115.700 0.145 0.000 2.531 812 S HA 0.039 4.500 4.470 -0.015 0.000 0.279 812 S C 1.490 176.174 174.600 0.140 0.000 1.305 812 S CA -0.126 58.154 58.200 0.133 0.000 1.058 812 S CB 0.691 63.938 63.200 0.078 0.000 0.899 812 S HN 0.389 nan 8.310 nan 0.000 0.493 813 S N 3.562 119.374 115.700 0.186 0.000 2.469 813 S HA -0.111 4.349 4.470 -0.015 0.000 0.238 813 S C 1.026 175.682 174.600 0.093 0.000 0.998 813 S CA 0.924 59.254 58.200 0.218 0.000 0.957 813 S CB -0.371 63.040 63.200 0.352 0.000 0.764 813 S HN 0.801 nan 8.310 nan 0.000 0.514 814 D N 1.856 122.295 120.400 0.066 0.000 2.117 814 D HA -0.100 4.531 4.640 -0.015 0.000 0.197 814 D C 2.102 178.408 176.300 0.009 0.000 0.987 814 D CA 0.852 54.868 54.000 0.026 0.000 0.829 814 D CB -0.362 40.451 40.800 0.022 0.000 0.961 814 D HN 0.290 nan 8.370 nan 0.000 0.460 815 R N 0.830 121.338 120.500 0.012 0.000 2.073 815 R HA -0.095 4.236 4.340 -0.015 0.000 0.234 815 R C 1.935 178.227 176.300 -0.014 0.000 1.134 815 R CA 1.461 57.553 56.100 -0.013 0.000 0.952 815 R CB -0.830 29.447 30.300 -0.037 0.000 0.850 815 R HN 0.134 nan 8.270 nan 0.000 0.433 816 T N 2.033 116.603 114.554 0.027 0.000 2.720 816 T HA -0.123 4.218 4.350 -0.015 0.000 0.268 816 T C 1.904 176.609 174.700 0.008 0.000 1.037 816 T CA 1.338 63.472 62.100 0.057 0.000 1.144 816 T CB -0.086 68.901 68.868 0.199 0.000 0.864 816 T HN 0.111 nan 8.240 nan 0.000 0.444 817 I N 1.476 121.980 120.570 -0.109 0.000 2.286 817 I HA -0.023 4.138 4.170 -0.015 0.000 0.245 817 I C 2.940 179.023 176.117 -0.057 0.000 1.104 817 I CA 0.842 62.046 61.300 -0.161 0.000 1.397 817 I CB -1.581 36.310 38.000 -0.180 0.000 1.072 817 I HN 0.188 nan 8.210 nan 0.000 0.417 818 A N 0.274 123.075 122.820 -0.032 0.000 1.940 818 A HA -0.255 4.056 4.320 -0.015 0.000 0.219 818 A C 2.248 179.791 177.584 -0.070 0.000 1.176 818 A CA 1.583 53.605 52.037 -0.024 0.000 0.631 818 A CB -0.588 18.403 19.000 -0.016 0.000 0.814 818 A HN 0.511 nan 8.150 nan 0.000 0.446 819 Q N -1.863 117.875 119.800 -0.103 0.000 2.046 819 Q HA -0.174 4.157 4.340 -0.015 0.000 0.200 819 Q C 1.970 177.790 176.000 -0.299 0.000 0.975 819 Q CA 1.693 57.390 55.803 -0.176 0.000 0.836 819 Q CB -0.323 28.300 28.738 -0.191 0.000 0.896 819 Q HN 0.818 nan 8.270 nan 0.000 0.428 820 Y N 0.557 120.567 120.300 -0.485 0.000 2.114 820 Y HA -0.311 4.230 4.550 -0.016 0.000 0.282 820 Y C 2.479 177.792 175.900 -0.978 0.000 1.165 820 Y CA 1.370 58.916 58.100 -0.923 0.000 1.148 820 Y CB -0.492 37.106 38.460 -1.437 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.125 122.719 122.820 -0.376 0.000 1.883 821 A HA -0.223 4.088 4.320 -0.015 0.000 0.217 821 A C 2.238 179.843 177.584 0.034 0.000 1.186 821 A CA 2.037 54.113 52.037 0.064 0.000 0.624 821 A CB -0.539 18.585 19.000 0.206 0.000 0.822 821 A HN 0.438 nan 8.150 nan 0.000 0.444 822 R N -0.822 119.652 120.500 -0.043 0.000 2.075 822 R HA -0.010 4.321 4.340 -0.015 0.000 0.226 822 R C 1.873 178.149 176.300 -0.041 0.000 1.114 822 R CA 1.448 57.535 56.100 -0.022 0.000 0.972 822 R CB -0.154 30.127 30.300 -0.031 0.000 0.869 822 R HN 0.648 nan 8.270 nan 0.000 0.437 823 E N -0.497 119.637 120.200 -0.111 0.000 2.415 823 E HA 0.079 4.420 4.350 -0.015 0.000 0.197 823 E C 1.411 177.962 176.600 -0.083 0.000 1.007 823 E CA 0.482 56.822 56.400 -0.100 0.000 0.890 823 E CB 0.529 30.142 29.700 -0.144 0.000 0.891 823 E HN 0.282 nan 8.360 nan 0.000 0.496 824 I N -1.147 119.334 120.570 -0.148 0.000 3.673 824 I HA 0.020 4.180 4.170 -0.015 0.000 0.281 824 I C 1.265 177.514 176.117 0.220 0.000 1.182 824 I CA -0.047 61.225 61.300 -0.047 0.000 1.391 824 I CB 0.315 38.137 38.000 -0.297 0.000 1.383 824 I HN 0.115 nan 8.210 nan 0.000 0.456 825 W N 1.366 122.763 121.300 0.162 0.000 2.737 825 W HA 0.357 5.008 4.660 -0.015 0.000 0.262 825 W C 1.432 177.990 176.519 0.065 0.000 1.282 825 W CA 0.710 58.132 57.345 0.128 0.000 1.386 825 W CB -1.032 28.490 29.460 0.104 0.000 1.099 825 W HN 0.285 nan 8.180 nan 0.000 0.621 826 G N 1.411 110.351 108.800 0.234 0.000 2.298 826 G HA2 -0.096 3.855 3.960 -0.015 0.000 0.287 826 G HA3 -0.096 3.855 3.960 -0.015 0.000 0.287 826 G C -0.368 174.607 174.900 0.126 0.000 1.075 826 G CA 0.262 45.441 45.100 0.132 0.000 0.960 826 G HN 0.397 nan 8.290 nan 0.000 0.502 827 V N -4.114 115.894 119.914 0.156 0.000 2.925 827 V HA 0.879 4.990 4.120 -0.015 0.000 0.311 827 V C -0.352 175.806 176.094 0.105 0.000 1.104 827 V CA -1.759 60.614 62.300 0.123 0.000 0.954 827 V CB 2.311 34.214 31.823 0.133 0.000 1.022 827 V HN 0.138 nan 8.190 nan 0.000 0.427 828 E N 4.041 124.285 120.200 0.074 0.000 2.200 828 E HA 0.492 4.832 4.350 -0.015 0.000 0.283 828 E C -2.447 174.192 176.600 0.065 0.000 1.015 828 E CA -1.811 54.626 56.400 0.061 0.000 0.819 828 E CB 1.604 31.331 29.700 0.045 0.000 1.081 828 E HN 0.711 nan 8.360 nan 0.000 0.397 829 P HA 0.043 nan 4.420 nan 0.000 0.270 829 P C -0.471 176.859 177.300 0.050 0.000 1.223 829 P CA -0.238 62.898 63.100 0.059 0.000 0.785 829 P CB 0.753 32.483 31.700 0.050 0.000 0.923 830 S N 0.939 116.670 115.700 0.051 0.000 2.619 830 S HA 0.307 4.768 4.470 -0.015 0.000 0.280 830 S C 0.506 175.129 174.600 0.038 0.000 1.150 830 S CA -0.783 57.444 58.200 0.046 0.000 0.978 830 S CB 1.055 64.289 63.200 0.057 0.000 1.041 830 S HN 0.258 nan 8.310 nan 0.000 0.485 831 R N 2.283 122.801 120.500 0.031 0.000 2.310 831 R HA 0.154 4.485 4.340 -0.015 0.000 0.202 831 R C 0.099 176.408 176.300 0.016 0.000 0.933 831 R CA 0.175 56.291 56.100 0.027 0.000 1.054 831 R CB -0.016 30.301 30.300 0.028 0.000 0.985 831 R HN 0.715 nan 8.270 nan 0.000 0.489 832 Q N 1.053 120.861 119.800 0.013 0.000 2.330 832 Q HA 0.046 4.377 4.340 -0.015 0.000 0.279 832 Q C -0.246 175.742 176.000 -0.020 0.000 1.024 832 Q CA 0.214 56.017 55.803 -0.000 0.000 0.900 832 Q CB 0.576 29.319 28.738 0.008 0.000 1.221 832 Q HN -0.203 nan 8.270 nan 0.000 0.396 833 R N 1.517 121.996 120.500 -0.034 0.000 2.623 833 R HA 0.112 4.443 4.340 -0.015 0.000 0.271 833 R C -0.402 175.850 176.300 -0.080 0.000 1.043 833 R CA 0.150 56.216 56.100 -0.056 0.000 1.083 833 R CB 0.252 30.519 30.300 -0.054 0.000 0.974 833 R HN 0.502 nan 8.270 nan 0.000 0.436 834 L N 5.722 126.877 121.223 -0.114 0.000 2.395 834 L HA 0.317 4.648 4.340 -0.015 0.000 0.269 834 L C -1.668 175.139 176.870 -0.105 0.000 1.133 834 L CA -2.000 52.743 54.840 -0.162 0.000 0.812 834 L CB 0.954 42.877 42.059 -0.226 0.000 1.125 834 L HN 0.454 nan 8.230 nan 0.000 0.452 835 P HA 0.048 nan 4.420 nan 0.000 0.265 835 P C -0.732 176.539 177.300 -0.049 0.000 1.193 835 P CA -0.112 62.955 63.100 -0.055 0.000 0.765 835 P CB 0.809 32.486 31.700 -0.039 0.000 0.823 836 A N 0.000 122.798 122.820 -0.037 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 836 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486