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 2qrg_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 FNLXXXXXXG 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 0.000 175.982 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.353 120.205 120.570 -0.021 0.000 2.498 13 I HA 0.528 4.691 4.170 -0.012 0.000 0.301 13 I C 0.985 177.102 176.117 -0.001 0.000 0.984 13 I CA -0.222 61.074 61.300 -0.007 0.000 1.204 13 I CB 1.876 39.876 38.000 -0.000 0.000 1.362 13 I HN 0.252 nan 8.210 nan 0.000 0.471 14 S N 3.413 119.118 115.700 0.008 0.000 2.359 14 S HA -0.158 4.305 4.470 -0.012 0.000 0.224 14 S C 1.760 176.369 174.600 0.015 0.000 1.035 14 S CA 2.000 60.206 58.200 0.011 0.000 1.018 14 S CB -0.534 62.678 63.200 0.020 0.000 0.876 14 S HN 0.767 nan 8.310 nan 0.000 0.448 15 V N -0.131 119.799 119.914 0.027 0.000 3.026 15 V HA 0.102 4.215 4.120 -0.012 0.000 0.265 15 V C 1.944 178.052 176.094 0.023 0.000 1.121 15 V CA 1.424 63.744 62.300 0.032 0.000 1.142 15 V CB -1.014 30.836 31.823 0.045 0.000 0.730 15 V HN 0.377 nan 8.190 nan 0.000 0.503 16 R N 1.114 121.619 120.500 0.008 0.000 2.310 16 R HA 0.434 4.767 4.340 -0.012 0.000 0.202 16 R C 1.154 177.444 176.300 -0.016 0.000 0.933 16 R CA 0.556 56.653 56.100 -0.004 0.000 1.054 16 R CB 0.063 30.356 30.300 -0.011 0.000 0.985 16 R HN 0.768 nan 8.270 nan 0.000 0.489 17 G N 0.666 109.457 108.800 -0.015 0.000 2.728 17 G HA2 -0.218 3.735 3.960 -0.012 0.000 0.294 17 G HA3 -0.218 3.735 3.960 -0.012 0.000 0.294 17 G C -0.930 173.955 174.900 -0.026 0.000 1.342 17 G CA -1.059 44.024 45.100 -0.028 0.000 0.866 17 G HN -0.027 nan 8.290 nan 0.000 0.534 18 L N 0.415 121.621 121.223 -0.029 0.000 2.375 18 L HA 0.682 5.015 4.340 -0.012 0.000 0.271 18 L C 1.212 178.068 176.870 -0.024 0.000 1.107 18 L CA 0.336 55.162 54.840 -0.023 0.000 0.806 18 L CB 1.080 43.127 42.059 -0.020 0.000 1.146 18 L HN 1.565 nan 8.230 nan 0.000 0.447 19 A N 2.242 125.051 122.820 -0.019 0.000 3.056 19 A HA 0.589 4.902 4.320 -0.012 0.000 0.328 19 A C 0.628 178.208 177.584 -0.007 0.000 1.233 19 A CA -0.359 51.669 52.037 -0.015 0.000 0.965 19 A CB -0.276 18.714 19.000 -0.017 0.000 1.123 19 A HN 0.782 nan 8.150 nan 0.000 0.502 20 G N -0.108 108.688 108.800 -0.006 0.000 2.483 20 G HA2 0.370 4.323 3.960 -0.012 0.000 0.248 20 G HA3 0.370 4.323 3.960 -0.012 0.000 0.248 20 G C 1.017 175.921 174.900 0.007 0.000 1.248 20 G CA -0.042 45.058 45.100 0.000 0.000 0.838 20 G HN 0.462 nan 8.290 nan 0.000 0.566 21 V N 1.978 121.897 119.914 0.008 0.000 2.282 21 V HA -0.222 3.891 4.120 -0.012 0.000 0.249 21 V C 2.706 178.810 176.094 0.017 0.000 1.057 21 V CA 2.479 64.786 62.300 0.012 0.000 1.032 21 V CB -0.681 31.148 31.823 0.010 0.000 0.645 21 V HN 0.770 nan 8.190 nan 0.000 0.447 22 E N 0.337 120.548 120.200 0.017 0.000 2.051 22 E HA -0.185 4.158 4.350 -0.012 0.000 0.192 22 E C 2.131 178.752 176.600 0.035 0.000 0.991 22 E CA 1.520 57.934 56.400 0.024 0.000 0.799 22 E CB -0.346 29.368 29.700 0.022 0.000 0.748 22 E HN 0.570 nan 8.360 nan 0.000 0.449 23 N N -0.646 118.074 118.700 0.032 0.000 2.069 23 N HA -0.138 4.595 4.740 -0.012 0.000 0.191 23 N C 1.655 177.191 175.510 0.042 0.000 1.031 23 N CA 1.175 54.249 53.050 0.042 0.000 0.852 23 N CB -0.260 38.239 38.487 0.019 0.000 1.018 23 N HN -0.002 nan 8.380 nan 0.000 0.423 24 V N 0.210 120.140 119.914 0.027 0.000 2.343 24 V HA -0.224 3.889 4.120 -0.012 0.000 0.247 24 V C 2.073 178.188 176.094 0.034 0.000 1.051 24 V CA 1.932 64.247 62.300 0.025 0.000 1.036 24 V CB -0.975 30.858 31.823 0.017 0.000 0.654 24 V HN 0.393 nan 8.190 nan 0.000 0.451 25 T N -0.429 114.145 114.554 0.034 0.000 2.708 25 T HA -0.238 4.104 4.350 -0.012 0.000 0.266 25 T C 1.930 176.662 174.700 0.054 0.000 1.037 25 T CA 1.882 64.004 62.100 0.036 0.000 1.146 25 T CB -0.220 68.665 68.868 0.029 0.000 0.865 25 T HN 0.508 nan 8.240 nan 0.000 0.435 26 E N 0.934 121.173 120.200 0.065 0.000 2.106 26 E HA -0.022 4.321 4.350 -0.012 0.000 0.192 26 E C 2.028 178.704 176.600 0.127 0.000 0.984 26 E CA 0.883 57.335 56.400 0.087 0.000 0.806 26 E CB -0.521 29.234 29.700 0.092 0.000 0.750 26 E HN 0.445 nan 8.360 nan 0.000 0.458 27 L N 0.148 121.451 121.223 0.133 0.000 2.046 27 L HA -0.169 4.164 4.340 -0.012 0.000 0.208 27 L C 2.444 179.421 176.870 0.178 0.000 1.077 27 L CA 1.433 56.375 54.840 0.169 0.000 0.747 27 L CB -0.295 41.833 42.059 0.115 0.000 0.896 27 L HN 0.069 nan 8.230 nan 0.000 0.432 28 K N 0.395 120.861 120.400 0.109 0.000 2.057 28 K HA -0.205 4.107 4.320 -0.012 0.000 0.207 28 K C 2.141 178.841 176.600 0.167 0.000 1.049 28 K CA 1.693 58.036 56.287 0.093 0.000 0.931 28 K CB -0.079 32.437 32.500 0.027 0.000 0.714 28 K HN 0.376 nan 8.250 nan 0.000 0.440 29 K N 0.244 120.724 120.400 0.133 0.000 2.103 29 K HA -0.046 4.267 4.320 -0.012 0.000 0.204 29 K C 1.539 178.226 176.600 0.145 0.000 1.052 29 K CA 1.248 57.608 56.287 0.122 0.000 0.945 29 K CB -0.112 32.433 32.500 0.075 0.000 0.722 29 K HN 0.002 nan 8.250 nan 0.000 0.443 30 N N 0.570 119.368 118.700 0.164 0.000 2.270 30 N HA -0.108 4.625 4.740 -0.012 0.000 0.181 30 N C 1.603 177.274 175.510 0.268 0.000 1.016 30 N CA 0.903 54.049 53.050 0.159 0.000 0.870 30 N CB -0.273 38.322 38.487 0.179 0.000 0.979 30 N HN 0.210 nan 8.380 nan 0.000 0.431 31 F N 2.537 122.594 119.950 0.179 0.000 2.102 31 F HA -0.131 4.389 4.527 -0.012 0.000 0.298 31 F C 2.004 177.917 175.800 0.188 0.000 1.105 31 F CA 1.314 59.433 58.000 0.199 0.000 1.239 31 F CB -0.126 38.960 39.000 0.143 0.000 0.991 31 F HN -0.035 nan 8.300 nan 0.000 0.474 32 N N 0.436 119.378 118.700 0.404 0.000 2.188 32 N HA -0.176 4.557 4.740 -0.012 0.000 0.184 32 N C 2.006 177.615 175.510 0.165 0.000 1.018 32 N CA 1.121 54.332 53.050 0.269 0.000 0.858 32 N CB -0.547 38.072 38.487 0.221 0.000 0.989 32 N HN 0.371 nan 8.380 nan 0.000 0.426 33 R N 0.188 120.778 120.500 0.150 0.000 2.073 33 R HA -0.098 4.235 4.340 -0.012 0.000 0.234 33 R C 1.760 178.158 176.300 0.162 0.000 1.134 33 R CA 1.485 57.695 56.100 0.184 0.000 0.952 33 R CB -0.214 30.106 30.300 0.034 0.000 0.850 33 R HN 0.386 nan 8.270 nan 0.000 0.433 34 H N -0.427 118.692 119.070 0.083 0.000 2.389 34 H HA -0.112 4.437 4.556 -0.012 0.000 0.299 34 H C 1.864 177.139 175.328 -0.089 0.000 1.081 34 H CA 1.392 57.421 56.048 -0.031 0.000 1.345 34 H CB 0.096 29.797 29.762 -0.102 0.000 1.393 34 H HN 0.124 nan 8.280 nan 0.000 0.520 35 L N -0.071 121.150 121.223 -0.003 0.000 2.083 35 L HA -0.186 4.147 4.340 -0.012 0.000 0.209 35 L C 2.165 179.024 176.870 -0.018 0.000 1.083 35 L CA 1.820 56.628 54.840 -0.053 0.000 0.752 35 L CB -0.376 41.664 42.059 -0.032 0.000 0.899 35 L HN 0.309 nan 8.230 nan 0.000 0.433 36 H N -1.859 117.153 119.070 -0.098 0.000 2.287 36 H HA -0.040 4.509 4.556 -0.012 0.000 0.309 36 H C 1.797 176.945 175.328 -0.300 0.000 1.059 36 H CA 2.177 58.075 56.048 -0.251 0.000 1.357 36 H CB -0.255 29.273 29.762 -0.390 0.000 1.409 36 H HN 0.272 nan 8.280 nan 0.000 0.515 37 F N -0.383 119.561 119.950 -0.011 0.000 2.234 37 F HA -0.018 4.501 4.527 -0.012 0.000 0.296 37 F C 2.564 178.293 175.800 -0.119 0.000 1.089 37 F CA 1.394 59.345 58.000 -0.082 0.000 1.343 37 F CB -0.309 38.674 39.000 -0.028 0.000 1.040 37 F HN 0.182 nan 8.300 nan 0.000 0.498 38 T N -0.037 114.555 114.554 0.063 0.000 2.901 38 T HA 0.064 4.406 4.350 -0.012 0.000 0.252 38 T C 1.981 176.591 174.700 -0.149 0.000 1.035 38 T CA 0.848 62.905 62.100 -0.071 0.000 1.142 38 T CB -0.295 68.485 68.868 -0.147 0.000 0.869 38 T HN 0.109 nan 8.240 nan 0.000 0.442 39 L N 1.141 122.279 121.223 -0.142 0.000 2.477 39 L HA 0.190 4.523 4.340 -0.012 0.000 0.220 39 L C 0.405 177.183 176.870 -0.153 0.000 1.106 39 L CA -0.055 54.692 54.840 -0.156 0.000 0.851 39 L CB -0.095 41.882 42.059 -0.136 0.000 0.994 39 L HN -0.009 nan 8.230 nan 0.000 0.462 40 V N 0.607 120.412 119.914 -0.181 0.000 6.078 40 V HA -0.272 3.841 4.120 -0.012 0.000 0.301 40 V C -0.090 175.893 176.094 -0.185 0.000 0.571 40 V CA 1.096 63.260 62.300 -0.227 0.000 0.625 40 V CB -2.208 29.505 31.823 -0.183 0.000 0.271 40 V HN 0.426 nan 8.190 nan 0.000 0.788 41 K N 0.949 121.248 120.400 -0.167 0.000 2.480 41 K HA 0.737 5.050 4.320 -0.012 0.000 0.258 41 K C -0.550 176.016 176.600 -0.057 0.000 0.990 41 K CA -0.542 55.681 56.287 -0.108 0.000 0.857 41 K CB 2.793 35.230 32.500 -0.104 0.000 1.384 41 K HN 0.482 nan 8.250 nan 0.000 0.446 42 D N -0.568 119.822 120.400 -0.016 0.000 2.450 42 D HA 0.304 4.937 4.640 -0.012 0.000 0.238 42 D C 0.663 177.004 176.300 0.067 0.000 1.020 42 D CA -0.693 53.334 54.000 0.046 0.000 1.010 42 D CB 0.920 41.749 40.800 0.049 0.000 1.342 42 D HN 0.111 nan 8.370 nan 0.000 0.530 43 R N 0.114 120.689 120.500 0.125 0.000 2.249 43 R HA -0.038 4.294 4.340 -0.012 0.000 0.230 43 R C 0.872 177.257 176.300 0.141 0.000 1.121 43 R CA 0.551 56.767 56.100 0.193 0.000 0.997 43 R CB -0.647 29.768 30.300 0.191 0.000 0.867 43 R HN 0.521 nan 8.270 nan 0.000 0.465 44 N N 0.143 118.891 118.700 0.080 0.000 2.300 44 N HA -0.085 4.647 4.740 -0.012 0.000 0.179 44 N C 1.656 177.190 175.510 0.040 0.000 1.016 44 N CA 1.444 54.528 53.050 0.056 0.000 0.876 44 N CB 0.232 38.741 38.487 0.037 0.000 0.979 44 N HN 0.228 nan 8.380 nan 0.000 0.432 45 V N -2.697 117.227 119.914 0.017 0.000 3.528 45 V HA 0.524 4.637 4.120 -0.012 0.000 0.294 45 V C 0.813 176.882 176.094 -0.042 0.000 1.404 45 V CA -0.521 61.775 62.300 -0.006 0.000 1.065 45 V CB -0.328 31.485 31.823 -0.016 0.000 0.904 45 V HN 0.051 nan 8.190 nan 0.000 0.435 46 A N 2.207 124.982 122.820 -0.076 0.000 2.477 46 A HA 0.574 4.887 4.320 -0.012 0.000 0.246 46 A C 0.738 178.158 177.584 -0.273 0.000 1.078 46 A CA 0.788 52.673 52.037 -0.253 0.000 0.770 46 A CB -0.108 18.620 19.000 -0.453 0.000 1.011 46 A HN 0.823 nan 8.150 nan 0.000 0.494 47 T N 0.054 114.439 114.554 -0.281 0.000 2.948 47 T HA 0.579 4.921 4.350 -0.012 0.000 0.285 47 T C -2.120 172.502 174.700 -0.130 0.000 1.019 47 T CA -1.793 60.232 62.100 -0.124 0.000 1.013 47 T CB 1.248 70.093 68.868 -0.039 0.000 1.117 47 T HN 0.250 nan 8.240 nan 0.000 0.533 48 P HA -0.130 nan 4.420 nan 0.000 0.217 48 P C 1.601 179.012 177.300 0.184 0.000 1.151 48 P CA 1.060 64.305 63.100 0.241 0.000 0.849 48 P CB 0.050 31.849 31.700 0.165 0.000 0.787 49 R N -0.097 120.457 120.500 0.091 0.000 2.081 49 R HA -0.142 4.191 4.340 -0.012 0.000 0.235 49 R C 1.702 178.163 176.300 0.269 0.000 1.131 49 R CA 1.765 57.949 56.100 0.140 0.000 0.960 49 R CB -0.655 29.670 30.300 0.041 0.000 0.856 49 R HN 0.107 nan 8.270 nan 0.000 0.436 50 D N -0.328 120.120 120.400 0.081 0.000 2.117 50 D HA -0.194 4.438 4.640 -0.012 0.000 0.197 50 D C 1.739 178.055 176.300 0.027 0.000 0.987 50 D CA 1.354 55.357 54.000 0.004 0.000 0.829 50 D CB -0.318 40.339 40.800 -0.239 0.000 0.961 50 D HN 0.310 nan 8.370 nan 0.000 0.460 51 Y N 0.094 120.505 120.300 0.186 0.000 2.181 51 Y HA -0.200 4.342 4.550 -0.012 0.000 0.288 51 Y C 2.326 178.365 175.900 0.230 0.000 1.146 51 Y CA 0.327 58.579 58.100 0.253 0.000 1.164 51 Y CB -1.169 37.499 38.460 0.347 0.000 0.982 51 Y HN 0.084 nan 8.280 nan 0.000 0.515 52 Y N -0.369 120.065 120.300 0.224 0.000 2.097 52 Y HA -0.313 4.229 4.550 -0.012 0.000 0.282 52 Y C 1.994 177.861 175.900 -0.055 0.000 1.152 52 Y CA 1.439 59.564 58.100 0.041 0.000 1.136 52 Y CB -1.152 37.226 38.460 -0.137 0.000 0.975 52 Y HN 0.054 nan 8.280 nan 0.000 0.498 53 F N 0.177 119.930 119.950 -0.328 0.000 2.171 53 F HA -0.146 4.374 4.527 -0.012 0.000 0.300 53 F C 2.648 178.289 175.800 -0.266 0.000 1.090 53 F CA 1.246 58.989 58.000 -0.428 0.000 1.293 53 F CB -0.812 38.116 39.000 -0.120 0.000 1.013 53 F HN 0.212 nan 8.300 nan 0.000 0.486 54 A N -0.162 122.607 122.820 -0.086 0.000 1.902 54 A HA -0.187 4.126 4.320 -0.012 0.000 0.217 54 A C 2.057 179.498 177.584 -0.239 0.000 1.181 54 A CA 1.573 53.419 52.037 -0.319 0.000 0.623 54 A CB -0.989 17.477 19.000 -0.891 0.000 0.818 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.272 120.927 121.223 -0.041 0.000 2.027 55 L HA -0.014 4.319 4.340 -0.012 0.000 0.206 55 L C 2.703 179.551 176.870 -0.036 0.000 1.074 55 L CA 2.155 57.101 54.840 0.176 0.000 0.745 55 L CB -0.969 41.268 42.059 0.296 0.000 0.898 55 L HN 0.344 nan 8.230 nan 0.000 0.433 56 A N -1.240 121.382 122.820 -0.330 0.000 1.883 56 A HA -0.291 4.022 4.320 -0.012 0.000 0.217 56 A C 2.149 179.392 177.584 -0.568 0.000 1.186 56 A CA 2.069 53.797 52.037 -0.515 0.000 0.624 56 A CB -1.117 17.252 19.000 -1.051 0.000 0.822 56 A HN 0.681 nan 8.150 nan 0.000 0.444 57 H N -0.851 117.912 119.070 -0.512 0.000 2.387 57 H HA -0.058 4.491 4.556 -0.012 0.000 0.299 57 H C 2.338 177.396 175.328 -0.449 0.000 1.090 57 H CA 1.937 57.605 56.048 -0.632 0.000 1.332 57 H CB -0.146 28.984 29.762 -1.053 0.000 1.386 57 H HN 0.470 nan 8.280 nan 0.000 0.516 58 T N -0.320 114.183 114.554 -0.085 0.000 2.746 58 T HA -0.128 4.214 4.350 -0.012 0.000 0.267 58 T C 2.248 177.112 174.700 0.273 0.000 1.039 58 T CA 1.331 63.566 62.100 0.224 0.000 1.142 58 T CB -0.356 68.703 68.868 0.317 0.000 0.866 58 T HN 0.097 nan 8.240 nan 0.000 0.444 59 V N 1.505 121.537 119.914 0.196 0.000 2.379 59 V HA -0.102 4.011 4.120 -0.012 0.000 0.245 59 V C 2.625 178.887 176.094 0.280 0.000 1.044 59 V CA 1.474 63.919 62.300 0.242 0.000 1.036 59 V CB -0.627 31.332 31.823 0.228 0.000 0.664 59 V HN 0.364 nan 8.190 nan 0.000 0.453 60 R N 0.305 120.925 120.500 0.201 0.000 2.103 60 R HA -0.239 4.094 4.340 -0.012 0.000 0.242 60 R C 1.967 178.374 176.300 0.179 0.000 1.142 60 R CA 2.210 58.426 56.100 0.193 0.000 0.960 60 R CB -0.467 29.793 30.300 -0.068 0.000 0.858 60 R HN 0.477 nan 8.270 nan 0.000 0.439 61 D N -0.240 120.258 120.400 0.163 0.000 2.158 61 D HA -0.178 4.455 4.640 -0.012 0.000 0.197 61 D C 1.724 178.055 176.300 0.051 0.000 0.995 61 D CA 1.169 55.240 54.000 0.119 0.000 0.846 61 D CB -0.401 40.470 40.800 0.118 0.000 0.941 61 D HN 0.477 nan 8.370 nan 0.000 0.456 62 H N -0.381 118.751 119.070 0.104 0.000 2.524 62 H HA 0.055 4.604 4.556 -0.012 0.000 0.282 62 H C 2.175 177.542 175.328 0.066 0.000 1.016 62 H CA 0.355 56.449 56.048 0.075 0.000 1.270 62 H CB 0.343 30.141 29.762 0.061 0.000 1.394 62 H HN 0.200 nan 8.280 nan 0.000 0.568 63 L N 0.575 121.907 121.223 0.181 0.000 2.209 63 L HA -0.104 4.229 4.340 -0.012 0.000 0.207 63 L C 2.771 179.746 176.870 0.175 0.000 1.094 63 L CA 0.429 55.342 54.840 0.121 0.000 0.790 63 L CB -0.137 41.962 42.059 0.066 0.000 0.932 63 L HN 0.116 nan 8.230 nan 0.000 0.447 64 V N -2.284 117.751 119.914 0.202 0.000 2.295 64 V HA -0.121 3.992 4.120 -0.012 0.000 0.246 64 V C 2.315 178.517 176.094 0.180 0.000 1.049 64 V CA 1.994 64.447 62.300 0.256 0.000 1.024 64 V CB -1.714 30.221 31.823 0.187 0.000 0.648 64 V HN 0.360 nan 8.190 nan 0.000 0.447 65 G N 0.280 109.141 108.800 0.101 0.000 2.446 65 G HA2 -0.252 3.701 3.960 -0.012 0.000 0.217 65 G HA3 -0.252 3.701 3.960 -0.012 0.000 0.217 65 G C 1.763 176.705 174.900 0.069 0.000 1.168 65 G CA 1.044 46.179 45.100 0.059 0.000 0.771 65 G HN 0.549 nan 8.290 nan 0.000 0.551 66 R N -1.460 119.090 120.500 0.084 0.000 2.096 66 R HA -0.079 4.254 4.340 -0.012 0.000 0.235 66 R C 2.268 178.646 176.300 0.130 0.000 1.127 66 R CA 1.178 57.317 56.100 0.065 0.000 0.968 66 R CB -0.344 29.979 30.300 0.039 0.000 0.861 66 R HN 0.487 nan 8.270 nan 0.000 0.440 67 W N 1.470 122.747 121.300 -0.039 0.000 2.379 67 W HA -0.045 4.608 4.660 -0.012 0.000 0.307 67 W C 1.697 178.183 176.519 -0.055 0.000 1.200 67 W CA 0.841 58.159 57.345 -0.045 0.000 1.297 67 W CB -0.553 28.898 29.460 -0.014 0.000 1.140 67 W HN -0.042 nan 8.180 nan 0.000 0.507 68 I N 1.042 121.659 120.570 0.077 0.000 2.179 68 I HA -0.344 3.819 4.170 -0.012 0.000 0.242 68 I C 2.738 178.832 176.117 -0.040 0.000 1.088 68 I CA 2.031 63.295 61.300 -0.061 0.000 1.357 68 I CB -0.613 37.357 38.000 -0.050 0.000 1.051 68 I HN -0.029 nan 8.210 nan 0.000 0.409 69 R N 0.361 120.855 120.500 -0.010 0.000 2.115 69 R HA -0.066 4.267 4.340 -0.012 0.000 0.226 69 R C 1.949 178.211 176.300 -0.064 0.000 1.100 69 R CA 1.610 57.695 56.100 -0.025 0.000 0.980 69 R CB -1.221 29.065 30.300 -0.022 0.000 0.875 69 R HN 0.172 nan 8.270 nan 0.000 0.445 70 T N 1.691 116.184 114.554 -0.101 0.000 2.652 70 T HA -0.117 4.226 4.350 -0.012 0.000 0.267 70 T C 1.849 176.280 174.700 -0.448 0.000 1.039 70 T CA 1.474 63.405 62.100 -0.283 0.000 1.153 70 T CB -0.140 68.602 68.868 -0.210 0.000 0.863 70 T HN 0.257 nan 8.240 nan 0.000 0.428 71 Q N 1.205 120.881 119.800 -0.207 0.000 2.119 71 Q HA -0.126 4.207 4.340 -0.012 0.000 0.201 71 Q C 2.531 178.534 176.000 0.005 0.000 0.972 71 Q CA 1.314 57.063 55.803 -0.089 0.000 0.847 71 Q CB -0.512 28.201 28.738 -0.041 0.000 0.903 71 Q HN 0.825 nan 8.270 nan 0.000 0.433 72 Q N -0.574 119.221 119.800 -0.007 0.000 2.167 72 Q HA -0.205 4.128 4.340 -0.012 0.000 0.202 72 Q C 1.812 177.892 176.000 0.134 0.000 0.970 72 Q CA 1.607 57.453 55.803 0.071 0.000 0.855 72 Q CB -0.555 28.203 28.738 0.033 0.000 0.911 72 Q HN 0.448 nan 8.270 nan 0.000 0.438 73 H N 0.111 119.155 119.070 -0.044 0.000 2.352 73 H HA -0.178 4.371 4.556 -0.012 0.000 0.299 73 H C 1.204 176.593 175.328 0.103 0.000 1.097 73 H CA 2.193 58.226 56.048 -0.025 0.000 1.311 73 H CB -0.197 29.486 29.762 -0.131 0.000 1.377 73 H HN 0.316 nan 8.280 nan 0.000 0.504 74 Y N -1.010 119.321 120.300 0.053 0.000 2.242 74 Y HA -0.180 4.362 4.550 -0.012 0.000 0.291 74 Y C 2.426 178.348 175.900 0.035 0.000 1.137 74 Y CA 1.047 59.151 58.100 0.007 0.000 1.181 74 Y CB -1.376 37.147 38.460 0.105 0.000 0.989 74 Y HN 0.355 nan 8.280 nan 0.000 0.527 75 Y N 1.282 121.660 120.300 0.131 0.000 2.181 75 Y HA -0.191 4.351 4.550 -0.012 0.000 0.288 75 Y C 2.116 178.022 175.900 0.010 0.000 1.146 75 Y CA 1.761 59.900 58.100 0.064 0.000 1.164 75 Y CB -0.037 38.453 38.460 0.049 0.000 0.982 75 Y HN 0.037 nan 8.280 nan 0.000 0.515 76 E N 0.247 120.445 120.200 -0.004 0.000 2.046 76 E HA -0.141 4.202 4.350 -0.012 0.000 0.190 76 E C 2.020 178.529 176.600 -0.152 0.000 0.982 76 E CA 1.117 57.457 56.400 -0.100 0.000 0.800 76 E CB -0.212 29.483 29.700 -0.009 0.000 0.756 76 E HN 0.490 nan 8.360 nan 0.000 0.449 77 K N 0.624 120.916 120.400 -0.181 0.000 2.305 77 K HA -0.076 4.237 4.320 -0.012 0.000 0.199 77 K C -0.031 176.500 176.600 -0.115 0.000 1.047 77 K CA 0.414 56.597 56.287 -0.173 0.000 0.976 77 K CB 0.044 32.372 32.500 -0.287 0.000 0.765 77 K HN -0.024 nan 8.250 nan 0.000 0.474 78 D N 1.023 121.364 120.400 -0.099 0.000 2.735 78 D HA -0.103 4.530 4.640 -0.012 0.000 0.235 78 D C -2.448 173.818 176.300 -0.055 0.000 1.175 78 D CA 0.107 54.060 54.000 -0.078 0.000 0.683 78 D CB -0.096 40.631 40.800 -0.122 0.000 1.008 78 D HN 0.173 nan 8.370 nan 0.000 0.416 79 P HA 0.114 nan 4.420 nan 0.000 0.276 79 P C -0.142 177.116 177.300 -0.070 0.000 1.261 79 P CA -0.609 62.454 63.100 -0.063 0.000 0.800 79 P CB 0.625 32.274 31.700 -0.085 0.000 1.066 80 K N 1.305 121.667 120.400 -0.063 0.000 2.451 80 K HA 0.026 4.339 4.320 -0.012 0.000 0.280 80 K C 0.145 176.661 176.600 -0.140 0.000 1.020 80 K CA -0.062 56.181 56.287 -0.073 0.000 1.008 80 K CB 0.274 32.748 32.500 -0.045 0.000 0.917 80 K HN 0.300 nan 8.250 nan 0.000 0.478 81 R N 4.390 124.795 120.500 -0.157 0.000 2.368 81 R HA 0.362 4.695 4.340 -0.012 0.000 0.302 81 R C -0.199 175.839 176.300 -0.437 0.000 1.002 81 R CA -0.833 55.097 56.100 -0.284 0.000 0.929 81 R CB 0.796 30.940 30.300 -0.259 0.000 1.073 81 R HN 0.500 nan 8.270 nan 0.000 0.464 82 I N 3.623 123.871 120.570 -0.537 0.000 2.339 82 I HA 0.270 4.433 4.170 -0.012 0.000 0.290 82 I C -0.530 175.282 176.117 -0.508 0.000 0.994 82 I CA -1.051 59.889 61.300 -0.599 0.000 1.191 82 I CB 0.653 38.164 38.000 -0.815 0.000 1.343 82 I HN 0.440 nan 8.210 nan 0.000 0.458 83 Y N 5.917 126.182 120.300 -0.058 0.000 2.356 83 Y HA 0.301 4.844 4.550 -0.012 0.000 0.334 83 Y C -0.339 175.666 175.900 0.175 0.000 0.958 83 Y CA -0.709 57.476 58.100 0.142 0.000 1.196 83 Y CB 1.207 39.706 38.460 0.066 0.000 1.137 83 Y HN 0.402 nan 8.280 nan 0.000 0.485 84 Y N 4.564 125.048 120.300 0.308 0.000 2.434 84 Y HA 0.501 5.044 4.550 -0.012 0.000 0.341 84 Y C -1.296 174.868 175.900 0.440 0.000 0.965 84 Y CA -0.937 57.350 58.100 0.313 0.000 1.205 84 Y CB 0.333 38.974 38.460 0.302 0.000 1.121 84 Y HN 0.508 nan 8.280 nan 0.000 0.507 85 L N 4.966 126.258 121.223 0.115 0.000 2.264 85 L HA 0.510 4.842 4.340 -0.012 0.000 0.289 85 L C -0.215 176.693 176.870 0.063 0.000 1.044 85 L CA 0.085 55.047 54.840 0.205 0.000 0.807 85 L CB 1.426 43.563 42.059 0.131 0.000 1.192 85 L HN 0.563 nan 8.230 nan 0.000 0.425 86 S N 2.564 118.383 115.700 0.198 0.000 2.536 86 S HA 0.477 4.940 4.470 -0.012 0.000 0.271 86 S C 0.352 175.048 174.600 0.160 0.000 1.134 86 S CA -0.618 57.591 58.200 0.015 0.000 0.897 86 S CB 1.030 63.997 63.200 -0.388 0.000 1.094 86 S HN 0.494 nan 8.310 nan 0.000 0.473 87 L N 2.394 123.742 121.223 0.208 0.000 2.554 87 L HA 0.359 4.692 4.340 -0.012 0.000 0.226 87 L C 0.215 177.284 176.870 0.332 0.000 1.137 87 L CA 1.197 56.228 54.840 0.318 0.000 0.863 87 L CB -0.773 41.490 42.059 0.341 0.000 0.985 87 L HN 0.700 nan 8.230 nan 0.000 0.451 88 E N -0.819 119.449 120.200 0.113 0.000 2.275 88 E HA 0.386 4.729 4.350 -0.012 0.000 0.270 88 E C -1.527 174.960 176.600 -0.188 0.000 0.882 88 E CA -0.357 56.095 56.400 0.087 0.000 0.758 88 E CB 2.040 31.779 29.700 0.064 0.000 1.195 88 E HN -0.152 nan 8.360 nan 0.000 0.419 89 F N 2.241 122.294 119.950 0.171 0.000 2.659 89 F HA 0.196 4.716 4.527 -0.012 0.000 0.342 89 F C -0.857 175.015 175.800 0.121 0.000 1.168 89 F CA -0.803 57.282 58.000 0.141 0.000 1.003 89 F CB 1.030 40.103 39.000 0.122 0.000 1.267 89 F HN 0.474 nan 8.300 nan 0.000 0.463 90 Y N 5.378 125.752 120.300 0.123 0.000 2.751 90 Y HA 0.265 4.808 4.550 -0.012 0.000 0.333 90 Y C 0.771 176.688 175.900 0.028 0.000 1.122 90 Y CA -1.158 56.965 58.100 0.037 0.000 1.367 90 Y CB 0.467 38.930 38.460 0.005 0.000 1.242 90 Y HN 0.560 nan 8.280 nan 0.000 0.505 91 M N 1.883 121.649 119.600 0.277 0.000 2.388 91 M HA 0.144 4.617 4.480 -0.012 0.000 0.265 91 M C 1.524 177.827 176.300 0.004 0.000 1.088 91 M CA 1.030 56.386 55.300 0.094 0.000 1.134 91 M CB -1.142 31.475 32.600 0.028 0.000 1.384 91 M HN 0.735 nan 8.290 nan 0.000 0.447 92 G N 1.415 110.250 108.800 0.059 0.000 2.569 92 G HA2 -0.271 3.682 3.960 -0.012 0.000 0.259 92 G HA3 -0.271 3.682 3.960 -0.012 0.000 0.259 92 G C -0.207 174.664 174.900 -0.048 0.000 1.263 92 G CA -0.338 44.743 45.100 -0.031 0.000 0.928 92 G HN 0.438 nan 8.290 nan 0.000 0.572 93 R N -0.663 119.782 120.500 -0.092 0.000 2.531 93 R HA 0.551 4.884 4.340 -0.012 0.000 0.273 93 R C 0.975 177.159 176.300 -0.193 0.000 1.070 93 R CA 0.296 56.346 56.100 -0.083 0.000 1.112 93 R CB 0.695 30.951 30.300 -0.073 0.000 1.049 93 R HN 0.530 nan 8.270 nan 0.000 0.508 94 T N 1.081 115.468 114.554 -0.279 0.000 2.969 94 T HA -0.007 4.336 4.350 -0.012 0.000 0.250 94 T C 1.451 175.773 174.700 -0.631 0.000 1.021 94 T CA -0.143 61.573 62.100 -0.640 0.000 1.003 94 T CB 0.151 68.244 68.868 -1.291 0.000 1.040 94 T HN 0.306 nan 8.240 nan 0.000 0.492 95 L N 1.935 123.019 121.223 -0.232 0.000 1.976 95 L HA -0.011 4.322 4.340 -0.012 0.000 0.209 95 L C 2.451 179.286 176.870 -0.059 0.000 1.071 95 L CA 2.002 56.856 54.840 0.023 0.000 0.746 95 L CB -0.670 41.600 42.059 0.351 0.000 0.890 95 L HN 0.177 nan 8.230 nan 0.000 0.432 96 Q N -0.799 118.962 119.800 -0.064 0.000 2.084 96 Q HA -0.243 4.089 4.340 -0.012 0.000 0.202 96 Q C 2.225 178.150 176.000 -0.124 0.000 0.978 96 Q CA 1.757 57.515 55.803 -0.075 0.000 0.844 96 Q CB -0.282 28.409 28.738 -0.079 0.000 0.898 96 Q HN 0.690 nan 8.270 nan 0.000 0.426 97 N N -0.938 117.649 118.700 -0.189 0.000 2.104 97 N HA -0.154 4.578 4.740 -0.012 0.000 0.190 97 N C 1.373 176.773 175.510 -0.182 0.000 1.024 97 N CA 1.816 54.745 53.050 -0.202 0.000 0.853 97 N CB 0.061 38.394 38.487 -0.257 0.000 1.008 97 N HN 0.216 nan 8.380 nan 0.000 0.424 98 T N 1.286 115.698 114.554 -0.237 0.000 2.777 98 T HA -0.060 4.282 4.350 -0.012 0.000 0.266 98 T C 2.067 176.703 174.700 -0.107 0.000 1.040 98 T CA 1.076 63.056 62.100 -0.200 0.000 1.141 98 T CB -0.074 68.633 68.868 -0.268 0.000 0.868 98 T HN 0.268 nan 8.240 nan 0.000 0.444 99 M N 0.571 120.123 119.600 -0.079 0.000 2.117 99 M HA -0.092 4.381 4.480 -0.012 0.000 0.262 99 M C 2.481 178.747 176.300 -0.058 0.000 1.065 99 M CA 1.259 56.526 55.300 -0.056 0.000 1.114 99 M CB -0.657 31.925 32.600 -0.031 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 1.006 120.891 119.914 -0.048 0.000 2.287 100 V HA -0.282 3.831 4.120 -0.012 0.000 0.248 100 V C 1.847 177.956 176.094 0.025 0.000 1.053 100 V CA 1.945 64.244 62.300 -0.001 0.000 1.027 100 V CB -0.862 30.959 31.823 -0.003 0.000 0.646 100 V HN 0.477 nan 8.190 nan 0.000 0.447 101 N N -0.375 118.324 118.700 -0.003 0.000 2.396 101 N HA -0.036 4.697 4.740 -0.012 0.000 0.180 101 N C 1.133 176.553 175.510 -0.150 0.000 1.028 101 N CA 0.744 53.778 53.050 -0.027 0.000 0.893 101 N CB -0.109 38.369 38.487 -0.016 0.000 0.967 101 N HN 0.289 nan 8.380 nan 0.000 0.440 102 L N -0.070 121.080 121.223 -0.121 0.000 2.640 102 L HA 0.383 4.716 4.340 -0.012 0.000 0.230 102 L C 0.611 177.400 176.870 -0.135 0.000 1.123 102 L CA -0.219 54.548 54.840 -0.122 0.000 0.900 102 L CB -0.768 41.242 42.059 -0.083 0.000 1.146 102 L HN 0.103 nan 8.230 nan 0.000 0.484 103 A N -0.548 122.189 122.820 -0.139 0.000 2.846 103 A HA -0.212 4.101 4.320 -0.012 0.000 0.287 103 A C 0.970 178.498 177.584 -0.094 0.000 1.469 103 A CA 0.909 52.876 52.037 -0.117 0.000 0.757 103 A CB -1.957 16.959 19.000 -0.140 0.000 1.033 103 A HN 0.208 nan 8.150 nan 0.000 0.516 104 L N -0.858 120.310 121.223 -0.092 0.000 2.766 104 L HA 0.267 4.600 4.340 -0.012 0.000 0.242 104 L C 1.779 178.611 176.870 -0.064 0.000 1.136 104 L CA 1.404 56.184 54.840 -0.100 0.000 0.933 104 L CB -0.179 41.789 42.059 -0.151 0.000 1.241 104 L HN 0.621 nan 8.230 nan 0.000 0.522 105 E N -0.082 120.090 120.200 -0.046 0.000 2.031 105 E HA -0.217 4.125 4.350 -0.012 0.000 0.193 105 E C 1.566 178.150 176.600 -0.025 0.000 0.994 105 E CA 1.324 57.706 56.400 -0.029 0.000 0.800 105 E CB 0.276 29.961 29.700 -0.024 0.000 0.752 105 E HN 0.391 nan 8.360 nan 0.000 0.447 106 N N 0.136 118.818 118.700 -0.029 0.000 2.188 106 N HA -0.124 4.609 4.740 -0.012 0.000 0.184 106 N C 1.550 177.044 175.510 -0.026 0.000 1.018 106 N CA 1.203 54.236 53.050 -0.029 0.000 0.858 106 N CB -0.373 38.096 38.487 -0.029 0.000 0.989 106 N HN 0.219 nan 8.380 nan 0.000 0.426 107 A N 0.375 123.177 122.820 -0.029 0.000 1.877 107 A HA -0.151 4.162 4.320 -0.012 0.000 0.216 107 A C 2.649 180.224 177.584 -0.015 0.000 1.186 107 A CA 1.380 53.403 52.037 -0.024 0.000 0.620 107 A CB -1.019 17.959 19.000 -0.037 0.000 0.822 107 A HN 0.442 nan 8.150 nan 0.000 0.443 108 C N -0.857 118.434 119.300 -0.016 0.000 2.440 108 C HA -0.060 4.393 4.460 -0.012 0.000 0.278 108 C C 2.461 177.452 174.990 0.002 0.000 1.295 108 C CA 1.026 60.045 59.018 0.002 0.000 1.738 108 C CB -1.091 26.659 27.740 0.017 0.000 1.987 108 C HN 0.664 nan 8.230 nan 0.000 0.492 109 D N 0.691 121.090 120.400 -0.001 0.000 2.097 109 D HA -0.137 4.495 4.640 -0.012 0.000 0.195 109 D C 2.131 178.443 176.300 0.020 0.000 0.989 109 D CA 1.475 55.477 54.000 0.003 0.000 0.827 109 D CB -0.241 40.548 40.800 -0.018 0.000 0.966 109 D HN 0.467 nan 8.370 nan 0.000 0.456 110 E N 0.446 120.651 120.200 0.009 0.000 2.031 110 E HA -0.086 4.257 4.350 -0.012 0.000 0.193 110 E C 1.917 178.552 176.600 0.058 0.000 0.994 110 E CA 1.723 58.148 56.400 0.041 0.000 0.800 110 E CB -0.606 29.103 29.700 0.014 0.000 0.752 110 E HN 0.193 nan 8.360 nan 0.000 0.447 111 A N -0.139 122.684 122.820 0.006 0.000 1.892 111 A HA -0.249 4.064 4.320 -0.012 0.000 0.218 111 A C 2.505 180.018 177.584 -0.119 0.000 1.188 111 A CA 3.103 55.117 52.037 -0.038 0.000 0.631 111 A CB -1.528 17.454 19.000 -0.030 0.000 0.822 111 A HN 0.540 nan 8.150 nan 0.000 0.447 112 T N -3.840 110.640 114.554 -0.123 0.000 2.857 112 T HA -0.193 4.150 4.350 -0.012 0.000 0.266 112 T C 1.852 176.476 174.700 -0.127 0.000 1.048 112 T CA 1.467 63.439 62.100 -0.215 0.000 1.139 112 T CB -0.590 68.190 68.868 -0.146 0.000 0.874 112 T HN 0.472 nan 8.240 nan 0.000 0.455 113 Y N 2.220 122.442 120.300 -0.130 0.000 2.165 113 Y HA -0.100 4.444 4.550 -0.011 0.000 0.286 113 Y C 2.602 178.441 175.900 -0.101 0.000 1.155 113 Y CA 1.548 59.590 58.100 -0.098 0.000 1.164 113 Y CB -0.477 37.944 38.460 -0.064 0.000 0.978 113 Y HN 0.251 nan 8.280 nan 0.000 0.513 114 Q N -0.933 118.799 119.800 -0.114 0.000 2.291 114 Q HA -0.108 4.225 4.340 -0.012 0.000 0.205 114 Q C 1.450 177.321 176.000 -0.215 0.000 0.970 114 Q CA 0.778 56.476 55.803 -0.176 0.000 0.876 114 Q CB -0.028 28.680 28.738 -0.051 0.000 0.935 114 Q HN 0.358 nan 8.270 nan 0.000 0.455 115 L N -0.877 120.201 121.223 -0.242 0.000 2.591 115 L HA 0.148 4.481 4.340 -0.012 0.000 0.228 115 L C 1.099 177.802 176.870 -0.278 0.000 1.133 115 L CA 1.152 55.831 54.840 -0.268 0.000 0.880 115 L CB -0.320 41.494 42.059 -0.407 0.000 1.033 115 L HN 0.307 nan 8.230 nan 0.000 0.450 116 G N -0.175 108.446 108.800 -0.298 0.000 2.149 116 G HA2 -0.241 3.712 3.960 -0.012 0.000 0.235 116 G HA3 -0.241 3.712 3.960 -0.012 0.000 0.235 116 G C 0.033 174.795 174.900 -0.229 0.000 1.018 116 G CA 0.256 45.193 45.100 -0.272 0.000 0.728 116 G HN 0.276 nan 8.290 nan 0.000 0.508 117 L N -0.333 120.755 121.223 -0.224 0.000 2.354 117 L HA 0.622 4.955 4.340 -0.012 0.000 0.269 117 L C -0.659 176.181 176.870 -0.049 0.000 1.005 117 L CA -1.195 53.546 54.840 -0.166 0.000 0.819 117 L CB 1.965 43.866 42.059 -0.263 0.000 1.311 117 L HN 0.090 nan 8.230 nan 0.000 0.423 118 D N 1.924 122.324 120.400 0.001 0.000 2.359 118 D HA 0.199 4.832 4.640 -0.012 0.000 0.230 118 D C 0.594 176.924 176.300 0.051 0.000 1.118 118 D CA -0.250 53.778 54.000 0.046 0.000 0.844 118 D CB 1.577 42.409 40.800 0.053 0.000 1.059 118 D HN 0.501 nan 8.370 nan 0.000 0.493 119 M N 3.061 122.691 119.600 0.051 0.000 2.213 119 M HA -0.127 4.346 4.480 -0.012 0.000 0.263 119 M C 1.250 177.590 176.300 0.067 0.000 1.062 119 M CA 1.496 56.834 55.300 0.063 0.000 1.105 119 M CB 0.221 32.851 32.600 0.050 0.000 1.385 119 M HN 0.432 nan 8.290 nan 0.000 0.417 120 E N -0.250 119.980 120.200 0.050 0.000 2.150 120 E HA -0.241 4.102 4.350 -0.012 0.000 0.193 120 E C 1.810 178.438 176.600 0.048 0.000 0.985 120 E CA 1.227 57.652 56.400 0.042 0.000 0.814 120 E CB -0.116 29.603 29.700 0.033 0.000 0.752 120 E HN 0.632 nan 8.360 nan 0.000 0.466 121 E N 0.540 120.775 120.200 0.058 0.000 2.072 121 E HA -0.192 4.151 4.350 -0.012 0.000 0.191 121 E C 1.911 178.551 176.600 0.067 0.000 0.985 121 E CA 0.574 57.011 56.400 0.061 0.000 0.801 121 E CB 0.173 29.912 29.700 0.066 0.000 0.750 121 E HN 0.082 nan 8.360 nan 0.000 0.452 122 L N 1.535 122.820 121.223 0.103 0.000 2.083 122 L HA -0.148 4.184 4.340 -0.012 0.000 0.209 122 L C 2.094 179.026 176.870 0.104 0.000 1.083 122 L CA 1.670 56.604 54.840 0.156 0.000 0.752 122 L CB -0.636 41.565 42.059 0.237 0.000 0.899 122 L HN 0.149 nan 8.230 nan 0.000 0.433 123 E N -0.736 119.513 120.200 0.082 0.000 2.153 123 E HA -0.201 4.142 4.350 -0.012 0.000 0.194 123 E C 1.820 178.382 176.600 -0.064 0.000 0.988 123 E CA 0.829 57.249 56.400 0.034 0.000 0.811 123 E CB -0.009 29.711 29.700 0.034 0.000 0.746 123 E HN 0.409 nan 8.360 nan 0.000 0.466 124 E N 0.249 120.423 120.200 -0.044 0.000 2.418 124 E HA -0.104 4.239 4.350 -0.012 0.000 0.197 124 E C 1.845 178.377 176.600 -0.114 0.000 1.026 124 E CA 0.521 56.893 56.400 -0.047 0.000 0.862 124 E CB 0.050 29.759 29.700 0.015 0.000 0.799 124 E HN 0.407 nan 8.360 nan 0.000 0.518 125 I N 0.785 121.221 120.570 -0.223 0.000 2.500 125 I HA -0.108 4.055 4.170 -0.012 0.000 0.252 125 I C 1.398 177.201 176.117 -0.523 0.000 1.142 125 I CA 0.254 61.349 61.300 -0.341 0.000 1.451 125 I CB 0.083 37.875 38.000 -0.348 0.000 1.093 125 I HN -0.026 nan 8.210 nan 0.000 0.430 126 E N 2.656 122.428 120.200 -0.713 0.000 2.414 126 E HA -0.047 4.296 4.350 -0.012 0.000 0.263 126 E C -0.217 176.287 176.600 -0.160 0.000 1.000 126 E CA -0.162 55.893 56.400 -0.574 0.000 0.914 126 E CB 0.604 30.094 29.700 -0.351 0.000 0.948 126 E HN 0.099 nan 8.360 nan 0.000 0.444 127 E N 3.325 123.524 120.200 -0.001 0.000 2.354 127 E HA 0.060 4.403 4.350 -0.012 0.000 0.269 127 E C -0.775 175.919 176.600 0.156 0.000 1.036 127 E CA -0.279 56.200 56.400 0.132 0.000 0.876 127 E CB 0.715 30.578 29.700 0.273 0.000 1.009 127 E HN 0.483 nan 8.360 nan 0.000 0.416 128 D N 0.786 121.258 120.400 0.120 0.000 2.455 128 D HA 0.131 4.764 4.640 -0.012 0.000 0.241 128 D C -0.314 176.028 176.300 0.070 0.000 1.138 128 D CA 0.196 54.252 54.000 0.093 0.000 0.877 128 D CB 0.581 41.439 40.800 0.097 0.000 1.187 128 D HN 0.369 nan 8.370 nan 0.000 0.451 129 A N 2.377 125.193 122.820 -0.007 0.000 2.671 129 A HA 0.471 4.784 4.320 -0.012 0.000 0.306 129 A C 1.014 178.411 177.584 -0.312 0.000 1.473 129 A CA -0.389 51.439 52.037 -0.348 0.000 1.155 129 A CB -0.282 18.586 19.000 -0.220 0.000 1.123 129 A HN 0.520 nan 8.150 nan 0.000 0.545 130 G N 2.087 110.606 108.800 -0.470 0.000 3.943 130 G HA2 0.421 4.374 3.960 -0.012 0.000 0.275 130 G HA3 0.421 4.374 3.960 -0.012 0.000 0.275 130 G C 0.294 174.801 174.900 -0.656 0.000 1.234 130 G CA -0.301 44.474 45.100 -0.542 0.000 1.522 130 G HN 0.687 nan 8.290 nan 0.000 0.636 131 L N 1.326 122.268 121.223 -0.469 0.000 2.862 131 L HA 0.387 4.720 4.340 -0.012 0.000 0.240 131 L C 1.014 177.808 176.870 -0.127 0.000 1.283 131 L CA -0.202 54.532 54.840 -0.176 0.000 1.117 131 L CB -0.337 41.758 42.059 0.061 0.000 1.444 131 L HN 0.329 nan 8.230 nan 0.000 0.456 132 G N -1.235 107.292 108.800 -0.455 0.000 2.623 132 G HA2 0.180 4.133 3.960 -0.012 0.000 0.290 132 G HA3 0.180 4.133 3.960 -0.012 0.000 0.290 132 G C -0.139 174.522 174.900 -0.397 0.000 1.437 132 G CA -0.462 44.461 45.100 -0.295 0.000 0.798 132 G HN -0.083 nan 8.290 nan 0.000 0.488 133 N N -0.752 117.895 118.700 -0.089 0.000 2.402 133 N HA 0.213 4.946 4.740 -0.012 0.000 0.174 133 N C 1.163 176.758 175.510 0.141 0.000 1.027 133 N CA 1.339 54.387 53.050 -0.004 0.000 0.891 133 N CB 1.223 39.750 38.487 0.067 0.000 1.016 133 N HN 0.906 nan 8.380 nan 0.000 0.439 134 G N -0.586 108.356 108.800 0.236 0.000 2.600 134 G HA2 0.076 4.029 3.960 -0.012 0.000 0.072 134 G HA3 0.076 4.029 3.960 -0.012 0.000 0.072 134 G C 0.716 175.706 174.900 0.149 0.000 1.051 134 G CA 0.151 45.387 45.100 0.226 0.000 1.230 134 G HN 0.143 nan 8.290 nan 0.000 0.547 135 G N 0.386 109.233 108.800 0.079 0.000 2.440 135 G HA2 -0.010 3.942 3.960 -0.012 0.000 0.218 135 G HA3 -0.010 3.942 3.960 -0.012 0.000 0.218 135 G C 1.898 176.787 174.900 -0.019 0.000 1.154 135 G CA 1.613 46.723 45.100 0.017 0.000 0.767 135 G HN 0.856 nan 8.290 nan 0.000 0.552 136 L N 0.592 121.800 121.223 -0.026 0.000 2.027 136 L HA 0.133 4.465 4.340 -0.012 0.000 0.206 136 L C 2.847 179.653 176.870 -0.107 0.000 1.074 136 L CA 1.952 56.709 54.840 -0.140 0.000 0.745 136 L CB -0.545 41.416 42.059 -0.163 0.000 0.898 136 L HN 0.220 nan 8.230 nan 0.000 0.433 137 G N -0.768 108.031 108.800 -0.002 0.000 2.408 137 G HA2 -0.295 3.658 3.960 -0.012 0.000 0.217 137 G HA3 -0.295 3.658 3.960 -0.012 0.000 0.217 137 G C 1.645 176.600 174.900 0.093 0.000 1.150 137 G CA 0.690 45.812 45.100 0.037 0.000 0.776 137 G HN 0.285 nan 8.290 nan 0.000 0.542 138 R N 0.003 120.566 120.500 0.105 0.000 2.115 138 R HA 0.135 4.468 4.340 -0.012 0.000 0.226 138 R C 2.309 178.602 176.300 -0.013 0.000 1.100 138 R CA 0.782 56.923 56.100 0.068 0.000 0.980 138 R CB -0.880 29.421 30.300 0.001 0.000 0.875 138 R HN 0.324 nan 8.270 nan 0.000 0.445 139 L N 0.235 121.383 121.223 -0.125 0.000 2.012 139 L HA -0.052 4.280 4.340 -0.012 0.000 0.210 139 L C 2.105 178.686 176.870 -0.481 0.000 1.073 139 L CA 2.236 56.866 54.840 -0.350 0.000 0.748 139 L CB -0.875 40.935 42.059 -0.416 0.000 0.891 139 L HN 0.262 nan 8.230 nan 0.000 0.431 140 A N -0.614 122.047 122.820 -0.265 0.000 1.908 140 A HA -0.187 4.125 4.320 -0.012 0.000 0.218 140 A C 2.441 180.074 177.584 0.082 0.000 1.181 140 A CA 2.019 53.972 52.037 -0.141 0.000 0.627 140 A CB -1.188 17.690 19.000 -0.203 0.000 0.818 140 A HN 0.590 nan 8.150 nan 0.000 0.445 141 A N -1.063 121.839 122.820 0.138 0.000 1.873 141 A HA -0.155 4.158 4.320 -0.012 0.000 0.215 141 A C 2.322 179.980 177.584 0.123 0.000 1.186 141 A CA 1.645 53.789 52.037 0.178 0.000 0.616 141 A CB -1.290 17.806 19.000 0.159 0.000 0.823 141 A HN 0.608 nan 8.150 nan 0.000 0.442 142 C N -1.443 117.929 119.300 0.121 0.000 2.429 142 C HA -0.074 4.379 4.460 -0.012 0.000 0.277 142 C C 2.428 177.582 174.990 0.274 0.000 1.262 142 C CA 0.629 59.758 59.018 0.185 0.000 1.733 142 C CB -1.650 26.220 27.740 0.216 0.000 2.010 142 C HN 0.600 nan 8.230 nan 0.000 0.483 143 F N 1.230 121.165 119.950 -0.026 0.000 2.126 143 F HA -0.086 4.433 4.527 -0.012 0.000 0.299 143 F C 2.254 177.993 175.800 -0.102 0.000 1.096 143 F CA 1.038 58.971 58.000 -0.111 0.000 1.255 143 F CB -1.366 37.438 39.000 -0.327 0.000 0.997 143 F HN 0.199 nan 8.300 nan 0.000 0.479 144 L N -0.436 120.857 121.223 0.117 0.000 2.046 144 L HA -0.251 4.082 4.340 -0.012 0.000 0.208 144 L C 2.164 179.042 176.870 0.014 0.000 1.077 144 L CA 1.957 56.820 54.840 0.038 0.000 0.747 144 L CB -0.806 41.274 42.059 0.036 0.000 0.896 144 L HN 0.107 nan 8.230 nan 0.000 0.432 145 D N -0.401 120.019 120.400 0.032 0.000 2.104 145 D HA -0.180 4.452 4.640 -0.012 0.000 0.194 145 D C 2.206 178.521 176.300 0.024 0.000 0.994 145 D CA 1.577 55.583 54.000 0.009 0.000 0.830 145 D CB 0.196 41.001 40.800 0.008 0.000 0.959 145 D HN 0.082 nan 8.370 nan 0.000 0.452 146 S N -0.745 114.987 115.700 0.052 0.000 2.383 146 S HA -0.110 4.353 4.470 -0.012 0.000 0.227 146 S C 1.995 176.608 174.600 0.021 0.000 1.026 146 S CA 0.876 59.100 58.200 0.039 0.000 0.981 146 S CB -0.224 63.005 63.200 0.048 0.000 0.818 146 S HN 0.343 nan 8.310 nan 0.000 0.472 147 M N 0.949 120.553 119.600 0.008 0.000 2.159 147 M HA -0.097 4.376 4.480 -0.012 0.000 0.263 147 M C 2.443 178.742 176.300 -0.002 0.000 1.063 147 M CA 1.416 56.717 55.300 0.001 0.000 1.110 147 M CB -0.500 32.081 32.600 -0.033 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.318 122.497 122.820 -0.008 0.000 1.897 148 A HA -0.109 4.204 4.320 -0.012 0.000 0.215 148 A C 2.159 179.755 177.584 0.020 0.000 1.181 148 A CA 1.938 53.974 52.037 -0.002 0.000 0.620 148 A CB -1.009 17.973 19.000 -0.030 0.000 0.821 148 A HN 0.416 nan 8.150 nan 0.000 0.443 149 T N 0.308 114.880 114.554 0.029 0.000 2.867 149 T HA 0.003 4.346 4.350 -0.012 0.000 0.268 149 T C 1.327 176.056 174.700 0.048 0.000 1.057 149 T CA 1.118 63.249 62.100 0.052 0.000 1.136 149 T CB -0.263 68.644 68.868 0.065 0.000 0.874 149 T HN 0.345 nan 8.240 nan 0.000 0.466 150 L N 0.460 121.708 121.223 0.041 0.000 2.629 150 L HA 0.310 4.643 4.340 -0.012 0.000 0.230 150 L C 1.613 178.514 176.870 0.051 0.000 1.151 150 L CA -0.089 54.777 54.840 0.044 0.000 0.924 150 L CB -0.385 41.700 42.059 0.044 0.000 1.137 150 L HN 0.388 nan 8.230 nan 0.000 0.457 151 G N 1.140 109.973 108.800 0.054 0.000 2.249 151 G HA2 -0.284 3.668 3.960 -0.012 0.000 0.273 151 G HA3 -0.284 3.668 3.960 -0.012 0.000 0.273 151 G C 0.104 175.052 174.900 0.080 0.000 1.036 151 G CA 0.031 45.181 45.100 0.083 0.000 0.824 151 G HN 0.285 nan 8.290 nan 0.000 0.504 152 L N -0.185 121.053 121.223 0.026 0.000 2.350 152 L HA 0.603 4.935 4.340 -0.012 0.000 0.275 152 L C 1.238 177.983 176.870 -0.208 0.000 1.099 152 L CA -0.353 54.452 54.840 -0.059 0.000 0.808 152 L CB 1.561 43.596 42.059 -0.039 0.000 1.149 152 L HN 0.259 nan 8.230 nan 0.000 0.442 153 A N 3.066 125.618 122.820 -0.446 0.000 3.026 153 A HA 0.543 4.856 4.320 -0.012 0.000 0.272 153 A C 0.333 177.541 177.584 -0.626 0.000 1.782 153 A CA -0.133 51.345 52.037 -0.931 0.000 1.451 153 A CB -0.708 17.648 19.000 -1.075 0.000 1.081 153 A HN 0.701 nan 8.150 nan 0.000 0.611 154 A N 1.445 123.940 122.820 -0.543 0.000 2.337 154 A HA 0.795 5.108 4.320 -0.012 0.000 0.329 154 A C -1.032 176.259 177.584 -0.489 0.000 1.146 154 A CA -0.465 51.325 52.037 -0.412 0.000 0.800 154 A CB 0.792 19.634 19.000 -0.264 0.000 1.220 154 A HN 0.612 nan 8.150 nan 0.000 0.472 155 Y N 0.380 120.600 120.300 -0.132 0.000 2.373 155 Y HA 0.538 5.081 4.550 -0.012 0.000 0.336 155 Y C 0.817 176.798 175.900 0.135 0.000 0.979 155 Y CA -0.554 57.545 58.100 -0.003 0.000 1.080 155 Y CB 2.424 40.970 38.460 0.143 0.000 1.190 155 Y HN 0.840 nan 8.280 nan 0.000 0.446 156 G N 2.186 111.068 108.800 0.136 0.000 2.338 156 G HA2 0.463 4.416 3.960 -0.012 0.000 0.298 156 G HA3 0.463 4.416 3.960 -0.012 0.000 0.298 156 G C -1.755 173.160 174.900 0.025 0.000 1.140 156 G CA -0.270 44.949 45.100 0.199 0.000 0.860 156 G HN 0.528 nan 8.290 nan 0.000 0.470 157 Y N 0.927 121.453 120.300 0.376 0.000 2.350 157 Y HA 0.629 5.172 4.550 -0.012 0.000 0.338 157 Y C 0.753 176.954 175.900 0.502 0.000 0.961 157 Y CA 0.171 58.459 58.100 0.313 0.000 1.100 157 Y CB 2.695 41.367 38.460 0.354 0.000 1.179 157 Y HN 0.877 nan 8.280 nan 0.000 0.454 158 G N 2.301 111.410 108.800 0.515 0.000 2.753 158 G HA2 0.606 4.558 3.960 -0.012 0.000 0.303 158 G HA3 0.606 4.558 3.960 -0.012 0.000 0.303 158 G C -1.753 173.375 174.900 0.380 0.000 1.242 158 G CA -0.818 44.615 45.100 0.555 0.000 0.810 158 G HN 0.428 nan 8.290 nan 0.000 0.515 159 I N 0.577 121.267 120.570 0.199 0.000 2.474 159 I HA 0.428 4.591 4.170 -0.012 0.000 0.294 159 I C 0.249 176.260 176.117 -0.177 0.000 1.005 159 I CA -0.717 60.590 61.300 0.011 0.000 1.113 159 I CB 2.253 40.093 38.000 -0.267 0.000 1.289 159 I HN 0.350 nan 8.210 nan 0.000 0.436 160 R N 6.119 126.619 120.500 -0.000 0.000 2.608 160 R HA 0.221 4.553 4.340 -0.012 0.000 0.277 160 R C -1.242 175.099 176.300 0.068 0.000 1.341 160 R CA -0.424 55.705 56.100 0.048 0.000 1.199 160 R CB -0.053 30.251 30.300 0.007 0.000 1.156 160 R HN 0.391 nan 8.270 nan 0.000 0.558 161 Y N 1.533 121.988 120.300 0.257 0.000 2.526 161 Y HA -0.079 4.464 4.550 -0.012 0.000 0.330 161 Y C 1.578 177.653 175.900 0.292 0.000 1.156 161 Y CA 0.050 58.292 58.100 0.237 0.000 1.419 161 Y CB 0.788 39.365 38.460 0.196 0.000 1.250 161 Y HN 0.589 nan 8.280 nan 0.000 0.540 162 E N 2.197 122.567 120.200 0.283 0.000 2.150 162 E HA -0.075 4.267 4.350 -0.012 0.000 0.193 162 E C -0.740 175.718 176.600 -0.236 0.000 0.985 162 E CA 0.736 57.094 56.400 -0.070 0.000 0.814 162 E CB 0.166 29.724 29.700 -0.238 0.000 0.752 162 E HN 0.508 nan 8.360 nan 0.000 0.466 163 F N -0.324 119.844 119.950 0.363 0.000 2.477 163 F HA 0.439 4.958 4.527 -0.012 0.000 0.335 163 F C 0.774 176.663 175.800 0.148 0.000 1.130 163 F CA -0.872 57.298 58.000 0.282 0.000 0.948 163 F CB 1.868 40.964 39.000 0.160 0.000 1.154 163 F HN -0.106 nan 8.300 nan 0.000 0.439 164 G N 1.869 110.777 108.800 0.181 0.000 2.582 164 G HA2 0.337 4.290 3.960 -0.012 0.000 0.232 164 G HA3 0.337 4.290 3.960 -0.012 0.000 0.232 164 G C -0.538 174.311 174.900 -0.085 0.000 1.458 164 G CA -0.655 44.384 45.100 -0.101 0.000 1.062 164 G HN 0.544 nan 8.290 nan 0.000 0.566 165 I N 0.992 121.426 120.570 -0.228 0.000 2.683 165 I HA 0.228 4.391 4.170 -0.012 0.000 0.286 165 I C 0.514 176.532 176.117 -0.164 0.000 1.175 165 I CA -1.064 60.090 61.300 -0.243 0.000 1.429 165 I CB -0.226 37.535 38.000 -0.398 0.000 1.371 165 I HN 0.326 nan 8.210 nan 0.000 0.569 166 F N 6.270 126.229 119.950 0.015 0.000 2.589 166 F HA 0.247 4.767 4.527 -0.012 0.000 0.352 166 F C 0.497 176.345 175.800 0.079 0.000 1.168 166 F CA -0.589 57.442 58.000 0.051 0.000 1.353 166 F CB -0.319 38.701 39.000 0.033 0.000 1.116 166 F HN 0.419 nan 8.300 nan 0.000 0.608 167 N N 2.282 121.151 118.700 0.281 0.000 2.497 167 N HA 0.044 4.777 4.740 -0.012 0.000 0.271 167 N C -0.801 174.939 175.510 0.385 0.000 1.142 167 N CA -0.253 52.938 53.050 0.235 0.000 0.965 167 N CB 1.158 39.770 38.487 0.208 0.000 1.077 167 N HN 0.745 nan 8.380 nan 0.000 0.462 168 Q N 2.468 122.462 119.800 0.324 0.000 2.303 168 Q HA 0.166 4.499 4.340 -0.012 0.000 0.257 168 Q C -0.954 175.215 176.000 0.281 0.000 0.941 168 Q CA -0.436 55.598 55.803 0.385 0.000 0.931 168 Q CB 0.677 29.644 28.738 0.380 0.000 1.215 168 Q HN 0.228 nan 8.270 nan 0.000 0.437 169 K N 4.139 124.682 120.400 0.239 0.000 2.207 169 K HA 0.468 4.781 4.320 -0.012 0.000 0.255 169 K C -0.580 176.123 176.600 0.171 0.000 0.941 169 K CA -0.875 55.529 56.287 0.195 0.000 0.825 169 K CB 1.559 34.151 32.500 0.154 0.000 1.119 169 K HN 0.624 nan 8.250 nan 0.000 0.430 170 I N 1.907 122.571 120.570 0.157 0.000 2.330 170 I HA 0.171 4.333 4.170 -0.012 0.000 0.289 170 I C -0.093 176.083 176.117 0.099 0.000 1.001 170 I CA -0.716 60.646 61.300 0.103 0.000 1.193 170 I CB 0.934 38.973 38.000 0.065 0.000 1.345 170 I HN 0.464 nan 8.210 nan 0.000 0.461 171 C N 5.153 124.520 119.300 0.112 0.000 2.346 171 C HA 0.634 5.086 4.460 -0.012 0.000 0.326 171 C C 1.123 176.213 174.990 0.167 0.000 1.224 171 C CA 0.277 59.366 59.018 0.118 0.000 1.408 171 C CB -0.081 27.722 27.740 0.106 0.000 2.089 171 C HN 1.106 nan 8.230 nan 0.000 0.456 172 G N 3.998 112.871 108.800 0.121 0.000 2.225 172 G HA2 0.083 4.036 3.960 -0.012 0.000 0.267 172 G HA3 0.083 4.036 3.960 -0.012 0.000 0.267 172 G C 1.216 176.134 174.900 0.030 0.000 1.024 172 G CA 1.172 46.352 45.100 0.133 0.000 0.784 172 G HN 2.603 nan 8.290 nan 0.000 0.507 173 G N -2.909 105.852 108.800 -0.065 0.000 2.179 173 G HA2 -0.292 3.661 3.960 -0.012 0.000 0.260 173 G HA3 -0.292 3.661 3.960 -0.012 0.000 0.260 173 G C 0.364 175.028 174.900 -0.394 0.000 0.977 173 G CA 0.655 45.594 45.100 -0.268 0.000 0.641 173 G HN 1.197 nan 8.290 nan 0.000 0.533 174 W N 0.766 122.012 121.300 -0.090 0.000 2.512 174 W HA 0.659 5.312 4.660 -0.012 0.000 0.335 174 W C 0.639 177.105 176.519 -0.088 0.000 1.088 174 W CA -0.912 56.375 57.345 -0.097 0.000 1.236 174 W CB 0.858 30.279 29.460 -0.065 0.000 1.307 174 W HN 0.237 nan 8.180 nan 0.000 0.567 175 Q N 3.166 123.068 119.800 0.170 0.000 2.297 175 Q HA 0.212 4.545 4.340 -0.012 0.000 0.267 175 Q C -0.553 175.510 176.000 0.103 0.000 1.006 175 Q CA 0.172 56.045 55.803 0.117 0.000 0.896 175 Q CB 0.534 29.336 28.738 0.107 0.000 1.186 175 Q HN 0.316 nan 8.270 nan 0.000 0.392 176 M N 3.080 122.737 119.600 0.094 0.000 2.528 176 M HA 0.392 4.864 4.480 -0.012 0.000 0.321 176 M C -1.026 175.293 176.300 0.032 0.000 1.153 176 M CA -0.675 54.648 55.300 0.039 0.000 0.951 176 M CB 1.806 34.439 32.600 0.054 0.000 1.705 176 M HN 0.610 nan 8.290 nan 0.000 0.451 177 E N 1.593 121.746 120.200 -0.078 0.000 2.179 177 E HA 0.477 4.820 4.350 -0.012 0.000 0.275 177 E C -0.927 175.675 176.600 0.003 0.000 0.945 177 E CA -0.520 55.811 56.400 -0.116 0.000 0.792 177 E CB 1.592 30.986 29.700 -0.509 0.000 1.125 177 E HN 0.438 nan 8.360 nan 0.000 0.397 178 E N 0.873 121.147 120.200 0.125 0.000 2.343 178 E HA 0.705 5.048 4.350 -0.012 0.000 0.270 178 E C -1.001 175.688 176.600 0.150 0.000 0.895 178 E CA -1.608 54.852 56.400 0.101 0.000 0.767 178 E CB 1.534 31.295 29.700 0.103 0.000 1.248 178 E HN 0.465 nan 8.360 nan 0.000 0.440 179 A N 1.663 124.527 122.820 0.073 0.000 2.546 179 A HA 0.012 4.324 4.320 -0.012 0.000 0.243 179 A C -0.104 177.645 177.584 0.275 0.000 1.063 179 A CA 0.126 52.214 52.037 0.085 0.000 0.757 179 A CB -0.140 18.765 19.000 -0.158 0.000 0.991 179 A HN 0.672 nan 8.150 nan 0.000 0.503 180 D N 1.791 122.422 120.400 0.385 0.000 2.483 180 D HA 0.186 4.819 4.640 -0.012 0.000 0.220 180 D C -0.405 176.229 176.300 0.556 0.000 1.173 180 D CA -0.177 54.057 54.000 0.391 0.000 0.964 180 D CB 0.346 41.306 40.800 0.266 0.000 1.046 180 D HN 0.380 nan 8.370 nan 0.000 0.517 181 D N 3.929 124.612 120.400 0.472 0.000 2.801 181 D HA -0.022 4.610 4.640 -0.012 0.000 0.232 181 D C 1.128 177.557 176.300 0.216 0.000 1.128 181 D CA -0.556 53.640 54.000 0.327 0.000 1.003 181 D CB -0.200 40.786 40.800 0.309 0.000 1.110 181 D HN 0.560 nan 8.370 nan 0.000 0.477 182 W N 1.648 122.978 121.300 0.049 0.000 2.525 182 W HA -0.031 4.622 4.660 -0.012 0.000 0.259 182 W C 0.109 176.676 176.519 0.080 0.000 1.253 182 W CA 0.092 57.486 57.345 0.082 0.000 1.262 182 W CB -0.720 28.788 29.460 0.079 0.000 1.122 182 W HN 0.174 nan 8.180 nan 0.000 0.607 183 L N 0.985 121.852 121.223 -0.593 0.000 2.607 183 L HA 0.193 4.526 4.340 -0.012 0.000 0.228 183 L C 2.750 179.456 176.870 -0.273 0.000 1.123 183 L CA -0.043 54.422 54.840 -0.625 0.000 0.890 183 L CB -0.583 40.973 42.059 -0.837 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.473 120.877 120.500 -0.161 0.000 2.096 184 R HA -0.219 4.114 4.340 -0.012 0.000 0.240 184 R C 1.367 177.507 176.300 -0.267 0.000 1.139 184 R CA 2.027 57.999 56.100 -0.213 0.000 0.952 184 R CB -0.156 30.004 30.300 -0.233 0.000 0.854 184 R HN 0.304 nan 8.270 nan 0.000 0.436 185 Y N -0.374 119.943 120.300 0.028 0.000 2.466 185 Y HA 0.311 4.854 4.550 -0.012 0.000 0.272 185 Y C 0.812 176.708 175.900 -0.007 0.000 1.169 185 Y CA 0.472 58.604 58.100 0.054 0.000 1.285 185 Y CB 0.853 39.461 38.460 0.246 0.000 1.078 185 Y HN 0.422 nan 8.280 nan 0.000 0.523 186 G N 1.293 110.135 108.800 0.071 0.000 2.699 186 G HA2 -0.225 3.728 3.960 -0.012 0.000 0.686 186 G HA3 -0.225 3.728 3.960 -0.012 0.000 0.686 186 G C -1.239 173.726 174.900 0.109 0.000 1.301 186 G CA -0.828 44.278 45.100 0.009 0.000 0.816 186 G HN 0.251 nan 8.290 nan 0.000 0.595 187 N N 1.280 119.991 118.700 0.018 0.000 2.569 187 N HA 0.582 5.315 4.740 -0.012 0.000 0.254 187 N C -0.625 174.884 175.510 -0.001 0.000 1.004 187 N CA -2.008 51.075 53.050 0.056 0.000 0.904 187 N CB 1.990 40.453 38.487 -0.040 0.000 1.165 187 N HN 0.234 nan 8.380 nan 0.000 0.513 188 P HA 0.005 nan 4.420 nan 0.000 0.226 188 P C 0.625 177.624 177.300 -0.500 0.000 1.153 188 P CA 0.788 63.584 63.100 -0.506 0.000 0.777 188 P CB 0.105 31.207 31.700 -0.997 0.000 0.794 189 W N 1.868 123.181 121.300 0.023 0.000 2.576 189 W HA 0.044 4.697 4.660 -0.012 0.000 0.270 189 W C 1.241 177.798 176.519 0.063 0.000 1.255 189 W CA -0.320 57.032 57.345 0.013 0.000 1.314 189 W CB -0.263 29.205 29.460 0.015 0.000 1.101 189 W HN 0.016 nan 8.180 nan 0.000 0.595 190 E N 1.595 121.966 120.200 0.285 0.000 2.319 190 E HA 0.349 4.692 4.350 -0.012 0.000 0.268 190 E C -0.636 176.130 176.600 0.276 0.000 1.050 190 E CA -0.827 55.750 56.400 0.295 0.000 0.878 190 E CB 1.348 31.233 29.700 0.310 0.000 1.066 190 E HN -0.324 nan 8.360 nan 0.000 0.406 191 K N 1.695 122.273 120.400 0.296 0.000 2.483 191 K HA 0.413 4.726 4.320 -0.012 0.000 0.256 191 K C -1.127 175.504 176.600 0.051 0.000 0.961 191 K CA -0.497 55.900 56.287 0.183 0.000 0.873 191 K CB 1.478 34.089 32.500 0.184 0.000 1.107 191 K HN 0.669 nan 8.250 nan 0.000 0.432 192 A N 4.277 127.044 122.820 -0.089 0.000 2.511 192 A HA 0.285 4.598 4.320 -0.012 0.000 0.242 192 A C -0.247 177.176 177.584 -0.269 0.000 1.069 192 A CA -0.018 51.712 52.037 -0.510 0.000 0.763 192 A CB 0.184 18.884 19.000 -0.501 0.000 1.001 192 A HN 0.675 nan 8.150 nan 0.000 0.498 193 R N 3.325 123.664 120.500 -0.268 0.000 2.835 193 R HA 0.204 4.537 4.340 -0.012 0.000 0.290 193 R C -2.346 173.944 176.300 -0.017 0.000 1.410 193 R CA -1.726 54.356 56.100 -0.030 0.000 1.590 193 R CB 0.632 31.032 30.300 0.166 0.000 1.288 193 R HN 0.570 nan 8.270 nan 0.000 0.637 194 P HA -0.180 nan 4.420 nan 0.000 0.221 194 P C 0.932 178.199 177.300 -0.055 0.000 1.145 194 P CA 1.085 64.153 63.100 -0.053 0.000 0.795 194 P CB 0.380 32.041 31.700 -0.065 0.000 0.775 195 E N -0.215 119.892 120.200 -0.155 0.000 2.338 195 E HA -0.131 4.211 4.350 -0.012 0.000 0.197 195 E C 0.674 177.036 176.600 -0.397 0.000 1.007 195 E CA 0.840 57.048 56.400 -0.319 0.000 0.849 195 E CB -0.854 28.551 29.700 -0.492 0.000 0.774 195 E HN 0.279 nan 8.360 nan 0.000 0.506 196 F N 1.911 121.877 119.950 0.027 0.000 2.684 196 F HA 0.246 4.766 4.527 -0.012 0.000 0.298 196 F C 0.448 176.343 175.800 0.158 0.000 1.120 196 F CA -0.332 57.715 58.000 0.078 0.000 1.332 196 F CB 0.293 39.335 39.000 0.069 0.000 0.986 196 F HN -0.290 nan 8.300 nan 0.000 0.524 197 T N 2.759 117.453 114.554 0.233 0.000 2.928 197 T HA 0.268 4.610 4.350 -0.012 0.000 0.305 197 T C -0.240 174.558 174.700 0.164 0.000 1.035 197 T CA 0.352 62.587 62.100 0.226 0.000 1.145 197 T CB 0.649 69.600 68.868 0.139 0.000 0.963 197 T HN -0.164 nan 8.240 nan 0.000 0.545 198 L N 5.571 126.862 121.223 0.113 0.000 2.370 198 L HA 0.554 4.887 4.340 -0.012 0.000 0.266 198 L C -2.219 174.606 176.870 -0.075 0.000 1.002 198 L CA -2.550 52.284 54.840 -0.010 0.000 0.818 198 L CB 1.941 43.924 42.059 -0.126 0.000 1.325 198 L HN 0.384 nan 8.230 nan 0.000 0.418 199 P HA 0.362 nan 4.420 nan 0.000 0.284 199 P C -1.183 175.991 177.300 -0.210 0.000 1.253 199 P CA -0.347 62.671 63.100 -0.135 0.000 0.800 199 P CB 1.655 33.275 31.700 -0.133 0.000 0.961 200 V N 3.816 123.587 119.914 -0.238 0.000 2.656 200 V HA 0.332 4.445 4.120 -0.012 0.000 0.307 200 V C 0.128 176.009 176.094 -0.356 0.000 1.051 200 V CA -0.612 61.536 62.300 -0.253 0.000 0.893 200 V CB 1.510 33.224 31.823 -0.182 0.000 0.999 200 V HN 0.603 nan 8.190 nan 0.000 0.426 201 H N 3.781 122.701 119.070 -0.251 0.000 2.472 201 H HA 0.626 5.175 4.556 -0.012 0.000 0.338 201 H C -1.316 173.756 175.328 -0.425 0.000 1.133 201 H CA -0.155 55.682 56.048 -0.353 0.000 1.216 201 H CB 1.945 31.284 29.762 -0.705 0.000 1.497 201 H HN 0.485 nan 8.280 nan 0.000 0.500 202 F N 0.468 120.497 119.950 0.132 0.000 2.613 202 F HA 0.213 4.733 4.527 -0.012 0.000 0.314 202 F C -0.278 175.657 175.800 0.225 0.000 1.075 202 F CA -0.523 57.556 58.000 0.131 0.000 0.945 202 F CB 1.152 40.137 39.000 -0.024 0.000 1.310 202 F HN 0.564 nan 8.300 nan 0.000 0.467 203 Y N 0.186 120.792 120.300 0.509 0.000 2.904 203 Y HA -0.007 4.535 4.550 -0.012 0.000 0.466 203 Y C 1.343 177.498 175.900 0.424 0.000 1.202 203 Y CA 0.614 58.930 58.100 0.360 0.000 2.492 203 Y CB -1.915 36.686 38.460 0.236 0.000 1.237 203 Y HN 1.283 nan 8.280 nan 0.000 0.633 204 G N 0.699 109.777 108.800 0.462 0.000 2.598 204 G HA2 0.085 4.038 3.960 -0.012 0.000 0.244 204 G HA3 0.085 4.038 3.960 -0.012 0.000 0.244 204 G C -0.571 174.542 174.900 0.355 0.000 1.302 204 G CA 0.931 46.225 45.100 0.324 0.000 0.903 204 G HN 1.368 nan 8.290 nan 0.000 0.575 205 R N -2.487 118.218 120.500 0.341 0.000 2.734 205 R HA 0.704 5.037 4.340 -0.012 0.000 0.271 205 R C -1.353 175.088 176.300 0.236 0.000 1.021 205 R CA -1.019 55.225 56.100 0.241 0.000 0.893 205 R CB 1.410 31.797 30.300 0.145 0.000 1.244 205 R HN 0.847 nan 8.270 nan 0.000 0.464 206 V N 0.917 120.884 119.914 0.088 0.000 2.394 206 V HA 0.341 4.454 4.120 -0.012 0.000 0.282 206 V C -0.218 175.806 176.094 -0.116 0.000 1.031 206 V CA -0.454 61.821 62.300 -0.042 0.000 0.881 206 V CB 1.295 33.018 31.823 -0.165 0.000 0.982 206 V HN 0.746 nan 8.190 nan 0.000 0.451 207 E N 3.228 123.339 120.200 -0.147 0.000 2.165 207 E HA 0.378 4.721 4.350 -0.012 0.000 0.266 207 E C -1.000 175.474 176.600 -0.210 0.000 0.889 207 E CA -0.692 55.642 56.400 -0.110 0.000 0.756 207 E CB 0.809 30.498 29.700 -0.018 0.000 1.131 207 E HN 0.727 nan 8.360 nan 0.000 0.411 208 H N 2.782 121.867 119.070 0.026 0.000 2.552 208 H HA 0.210 4.759 4.556 -0.012 0.000 0.311 208 H C 0.293 175.630 175.328 0.015 0.000 1.071 208 H CA -0.153 55.905 56.048 0.017 0.000 1.307 208 H CB 1.327 31.094 29.762 0.008 0.000 1.416 208 H HN 0.577 nan 8.280 nan 0.000 0.464 209 T N -0.964 113.655 114.554 0.108 0.000 2.804 209 T HA 0.195 4.538 4.350 -0.012 0.000 0.272 209 T C 1.398 176.134 174.700 0.060 0.000 0.986 209 T CA -0.686 61.454 62.100 0.067 0.000 0.999 209 T CB 0.877 69.769 68.868 0.039 0.000 1.307 209 T HN 0.363 nan 8.240 nan 0.000 0.586 210 S N -0.085 115.639 115.700 0.041 0.000 2.383 210 S HA -0.080 4.383 4.470 -0.012 0.000 0.229 210 S C 1.201 175.821 174.600 0.032 0.000 1.030 210 S CA 1.098 59.318 58.200 0.032 0.000 1.002 210 S CB -0.421 62.794 63.200 0.024 0.000 0.829 210 S HN 0.724 nan 8.310 nan 0.000 0.467 211 Q N 0.546 120.366 119.800 0.033 0.000 2.647 211 Q HA 0.505 4.838 4.340 -0.012 0.000 0.400 211 Q C 0.242 176.264 176.000 0.036 0.000 0.959 211 Q CA 0.182 56.004 55.803 0.031 0.000 1.079 211 Q CB 0.101 28.853 28.738 0.024 0.000 1.351 211 Q HN 0.454 nan 8.270 nan 0.000 0.411 212 G N 0.254 109.084 108.800 0.050 0.000 2.728 212 G HA2 0.024 3.977 3.960 -0.012 0.000 0.294 212 G HA3 0.024 3.977 3.960 -0.012 0.000 0.294 212 G C -0.563 174.372 174.900 0.057 0.000 1.342 212 G CA -0.613 44.523 45.100 0.061 0.000 0.866 212 G HN 0.728 nan 8.290 nan 0.000 0.534 213 A N 0.034 122.878 122.820 0.040 0.000 2.322 213 A HA 0.723 5.035 4.320 -0.012 0.000 0.269 213 A C 0.453 178.006 177.584 -0.053 0.000 1.094 213 A CA 0.316 52.315 52.037 -0.062 0.000 0.807 213 A CB 0.628 19.563 19.000 -0.109 0.000 1.047 213 A HN 0.763 nan 8.150 nan 0.000 0.487 214 K N 0.737 121.094 120.400 -0.073 0.000 2.443 214 K HA 0.198 4.511 4.320 -0.012 0.000 0.252 214 K C -1.874 174.767 176.600 0.068 0.000 0.933 214 K CA -0.342 55.944 56.287 -0.001 0.000 0.792 214 K CB 2.221 34.719 32.500 -0.002 0.000 1.185 214 K HN 0.742 nan 8.250 nan 0.000 0.425 215 W N 5.303 126.527 121.300 -0.126 0.000 2.308 215 W HA 0.346 4.999 4.660 -0.012 0.000 0.311 215 W C -0.622 175.842 176.519 -0.091 0.000 1.088 215 W CA -0.807 56.469 57.345 -0.113 0.000 1.309 215 W CB 0.139 29.520 29.460 -0.131 0.000 1.229 215 W HN 0.313 nan 8.180 nan 0.000 0.427 216 V N 2.758 122.716 119.914 0.074 0.000 3.113 216 V HA 0.615 4.728 4.120 -0.012 0.000 0.316 216 V C -0.172 175.895 176.094 -0.044 0.000 1.125 216 V CA -0.949 61.324 62.300 -0.046 0.000 1.026 216 V CB 1.958 33.785 31.823 0.006 0.000 1.080 216 V HN 0.458 nan 8.190 nan 0.000 0.444 217 D N 0.190 120.566 120.400 -0.039 0.000 2.772 217 D HA -0.137 4.496 4.640 -0.012 0.000 0.233 217 D C 0.532 176.837 176.300 0.008 0.000 1.143 217 D CA 1.511 55.513 54.000 0.002 0.000 0.700 217 D CB -1.670 39.153 40.800 0.038 0.000 1.076 217 D HN 1.300 nan 8.370 nan 0.000 0.430 218 T N -2.825 111.689 114.554 -0.067 0.000 2.899 218 T HA 0.487 4.830 4.350 -0.012 0.000 0.284 218 T C 0.464 175.220 174.700 0.093 0.000 1.004 218 T CA -0.751 61.324 62.100 -0.042 0.000 1.043 218 T CB 1.922 70.608 68.868 -0.303 0.000 1.013 218 T HN 0.044 nan 8.240 nan 0.000 0.518 219 Q N 0.558 120.482 119.800 0.207 0.000 2.241 219 Q HA 0.570 4.903 4.340 -0.012 0.000 0.254 219 Q C -0.970 175.157 176.000 0.212 0.000 0.917 219 Q CA -0.861 55.091 55.803 0.248 0.000 0.919 219 Q CB 1.841 30.805 28.738 0.377 0.000 1.237 219 Q HN 0.516 nan 8.270 nan 0.000 0.434 220 V N 3.122 123.122 119.914 0.144 0.000 2.435 220 V HA 0.418 4.530 4.120 -0.012 0.000 0.290 220 V C -0.352 175.819 176.094 0.128 0.000 1.030 220 V CA -0.653 61.643 62.300 -0.006 0.000 0.881 220 V CB 1.683 33.441 31.823 -0.109 0.000 0.983 220 V HN 0.488 nan 8.190 nan 0.000 0.445 221 V N 5.909 125.908 119.914 0.142 0.000 2.604 221 V HA 0.487 4.600 4.120 -0.012 0.000 0.305 221 V C -0.135 176.051 176.094 0.153 0.000 1.043 221 V CA -0.654 61.749 62.300 0.172 0.000 0.888 221 V CB 1.957 33.958 31.823 0.296 0.000 0.995 221 V HN 0.639 nan 8.190 nan 0.000 0.429 222 L N 3.504 124.809 121.223 0.136 0.000 2.350 222 L HA 0.723 5.056 4.340 -0.012 0.000 0.275 222 L C 0.453 177.499 176.870 0.293 0.000 1.099 222 L CA -0.302 54.624 54.840 0.144 0.000 0.808 222 L CB 1.284 43.407 42.059 0.107 0.000 1.149 222 L HN 0.760 nan 8.230 nan 0.000 0.442 223 A N 5.097 128.035 122.820 0.197 0.000 2.267 223 A HA 0.571 4.884 4.320 -0.012 0.000 0.315 223 A C -0.488 177.361 177.584 0.442 0.000 1.297 223 A CA -0.475 51.712 52.037 0.251 0.000 0.865 223 A CB 0.927 19.623 19.000 -0.507 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 5.945 125.867 119.600 0.536 0.000 2.129 224 M HA 0.456 4.929 4.480 -0.012 0.000 0.348 224 M C -2.606 173.970 176.300 0.460 0.000 1.116 224 M CA -2.132 53.430 55.300 0.436 0.000 1.022 224 M CB 1.959 34.736 32.600 0.295 0.000 1.599 224 M HN 0.343 nan 8.290 nan 0.000 0.449 225 P HA 0.261 nan 4.420 nan 0.000 0.288 225 P C -1.948 175.291 177.300 -0.102 0.000 1.267 225 P CA -0.020 62.990 63.100 -0.150 0.000 0.815 225 P CB 0.534 31.947 31.700 -0.478 0.000 0.989 226 Y N 0.602 120.834 120.300 -0.113 0.000 2.341 226 Y HA 0.351 4.894 4.550 -0.012 0.000 0.338 226 Y C 0.287 176.158 175.900 -0.048 0.000 0.965 226 Y CA -0.283 57.803 58.100 -0.022 0.000 1.108 226 Y CB 1.327 39.808 38.460 0.034 0.000 1.180 226 Y HN 0.223 nan 8.280 nan 0.000 0.458 227 D N 1.764 122.256 120.400 0.154 0.000 2.193 227 D HA 0.411 5.044 4.640 -0.012 0.000 0.244 227 D C -0.644 175.865 176.300 0.348 0.000 1.064 227 D CA -0.265 53.860 54.000 0.207 0.000 0.845 227 D CB 1.778 42.715 40.800 0.229 0.000 1.148 227 D HN 0.380 nan 8.370 nan 0.000 0.464 228 T N 3.112 117.782 114.554 0.193 0.000 2.824 228 T HA 0.474 4.817 4.350 -0.012 0.000 0.282 228 T C -2.530 172.010 174.700 -0.267 0.000 0.993 228 T CA -1.485 60.634 62.100 0.032 0.000 0.967 228 T CB 2.025 70.903 68.868 0.017 0.000 0.960 228 T HN 0.163 nan 8.240 nan 0.000 0.441 229 P HA 0.314 nan 4.420 nan 0.000 0.275 229 P C -0.994 175.970 177.300 -0.559 0.000 1.227 229 P CA -0.397 62.022 63.100 -1.134 0.000 0.781 229 P CB 0.806 31.619 31.700 -1.479 0.000 0.906 230 V N 5.291 124.938 119.914 -0.445 0.000 2.305 230 V HA 0.260 4.373 4.120 -0.012 0.000 0.275 230 V C -2.064 173.893 176.094 -0.228 0.000 1.020 230 V CA -1.926 60.208 62.300 -0.276 0.000 0.811 230 V CB 1.296 33.004 31.823 -0.191 0.000 1.031 230 V HN 0.541 nan 8.190 nan 0.000 0.439 231 P HA 0.273 nan 4.420 nan 0.000 0.280 231 P C 0.341 177.589 177.300 -0.087 0.000 1.244 231 P CA 0.308 63.316 63.100 -0.152 0.000 0.784 231 P CB 1.584 33.192 31.700 -0.153 0.000 0.913 232 G N 2.111 110.878 108.800 -0.055 0.000 2.562 232 G HA2 0.165 4.118 3.960 -0.012 0.000 0.275 232 G HA3 0.165 4.118 3.960 -0.012 0.000 0.275 232 G C -1.198 173.715 174.900 0.022 0.000 1.196 232 G CA -0.627 44.471 45.100 -0.004 0.000 0.908 232 G HN 0.506 nan 8.290 nan 0.000 0.524 233 Y N 0.898 121.161 120.300 -0.063 0.000 2.624 233 Y HA 0.230 4.773 4.550 -0.012 0.000 0.354 233 Y C 1.346 177.209 175.900 -0.060 0.000 1.051 233 Y CA -0.095 57.964 58.100 -0.068 0.000 1.377 233 Y CB -0.112 38.306 38.460 -0.070 0.000 1.168 233 Y HN 0.740 nan 8.280 nan 0.000 0.525 234 R N 2.905 123.132 120.500 -0.455 0.000 3.627 234 R HA -0.324 4.008 4.340 -0.012 0.000 0.281 234 R C 0.144 176.312 176.300 -0.220 0.000 1.140 234 R CA 1.369 57.213 56.100 -0.426 0.000 0.761 234 R CB -2.035 27.844 30.300 -0.701 0.000 1.181 234 R HN 0.942 nan 8.270 nan 0.000 0.472 235 N N -0.715 117.906 118.700 -0.132 0.000 2.177 235 N HA 0.041 4.774 4.740 -0.012 0.000 0.218 235 N C -0.105 175.361 175.510 -0.073 0.000 1.182 235 N CA -0.442 52.561 53.050 -0.078 0.000 0.882 235 N CB 0.465 38.931 38.487 -0.035 0.000 1.052 235 N HN 0.090 nan 8.380 nan 0.000 0.519 236 N N -0.153 118.499 118.700 -0.081 0.000 2.713 236 N HA -0.138 4.595 4.740 -0.012 0.000 0.251 236 N C -0.881 174.590 175.510 -0.065 0.000 1.117 236 N CA 0.619 53.628 53.050 -0.068 0.000 0.770 236 N CB -1.335 37.114 38.487 -0.065 0.000 1.137 236 N HN 0.193 nan 8.380 nan 0.000 0.566 237 V N 1.200 121.079 119.914 -0.058 0.000 2.498 237 V HA 0.383 4.496 4.120 -0.012 0.000 0.279 237 V C 0.646 176.712 176.094 -0.046 0.000 1.048 237 V CA -0.423 61.849 62.300 -0.045 0.000 0.967 237 V CB 2.046 33.867 31.823 -0.003 0.000 0.988 237 V HN -0.026 nan 8.190 nan 0.000 0.473 238 V N 5.453 125.346 119.914 -0.036 0.000 2.419 238 V HA 0.438 4.550 4.120 -0.012 0.000 0.287 238 V C -0.097 175.994 176.094 -0.004 0.000 1.017 238 V CA -0.851 61.401 62.300 -0.080 0.000 0.844 238 V CB 1.488 33.234 31.823 -0.128 0.000 1.011 238 V HN 0.845 nan 8.190 nan 0.000 0.429 239 N N 1.980 120.646 118.700 -0.056 0.000 2.476 239 N HA 0.573 5.306 4.740 -0.012 0.000 0.287 239 N C -0.063 175.436 175.510 -0.019 0.000 1.262 239 N CA -0.311 52.730 53.050 -0.015 0.000 0.980 239 N CB 1.206 39.640 38.487 -0.088 0.000 1.163 239 N HN 0.581 nan 8.380 nan 0.000 0.592 240 T N 0.737 115.291 114.554 0.001 0.000 2.841 240 T HA 0.401 4.744 4.350 -0.012 0.000 0.283 240 T C -0.281 174.383 174.700 -0.059 0.000 1.000 240 T CA -0.510 61.654 62.100 0.108 0.000 0.977 240 T CB 1.101 70.149 68.868 0.300 0.000 0.979 240 T HN 0.293 nan 8.240 nan 0.000 0.446 241 M N 3.719 123.247 119.600 -0.120 0.000 2.101 241 M HA 0.499 4.972 4.480 -0.012 0.000 0.340 241 M C -0.483 175.660 176.300 -0.263 0.000 1.057 241 M CA -0.743 54.397 55.300 -0.267 0.000 0.984 241 M CB 0.715 33.101 32.600 -0.357 0.000 1.560 241 M HN 0.481 nan 8.290 nan 0.000 0.435 242 R N 5.911 126.141 120.500 -0.450 0.000 2.265 242 R HA 0.616 4.949 4.340 -0.012 0.000 0.328 242 R C -1.933 174.063 176.300 -0.507 0.000 0.969 242 R CA -0.415 55.368 56.100 -0.528 0.000 0.832 242 R CB 0.838 30.644 30.300 -0.823 0.000 1.139 242 R HN 0.809 nan 8.270 nan 0.000 0.457 243 L N 5.084 126.117 121.223 -0.318 0.000 2.322 243 L HA 0.499 4.832 4.340 -0.012 0.000 0.281 243 L C -0.831 175.985 176.870 -0.091 0.000 1.014 243 L CA -0.901 53.851 54.840 -0.147 0.000 0.815 243 L CB 1.501 43.561 42.059 0.001 0.000 1.247 243 L HN 0.583 nan 8.230 nan 0.000 0.421 244 W N 1.919 123.336 121.300 0.196 0.000 2.365 244 W HA 0.492 5.145 4.660 -0.012 0.000 0.316 244 W C 0.547 177.290 176.519 0.373 0.000 1.164 244 W CA -0.206 57.280 57.345 0.235 0.000 1.204 244 W CB 1.525 30.989 29.460 0.007 0.000 1.213 244 W HN 0.347 nan 8.180 nan 0.000 0.539 245 S N 1.933 118.038 115.700 0.674 0.000 2.503 245 S HA 0.786 5.249 4.470 -0.012 0.000 0.301 245 S C -0.495 174.438 174.600 0.556 0.000 1.087 245 S CA -0.721 57.779 58.200 0.499 0.000 1.042 245 S CB 0.707 64.133 63.200 0.377 0.000 1.043 245 S HN 0.533 nan 8.310 nan 0.000 0.489 246 A N 4.721 127.705 122.820 0.273 0.000 2.328 246 A HA 0.670 4.983 4.320 -0.012 0.000 0.284 246 A C -0.162 177.478 177.584 0.093 0.000 1.160 246 A CA -0.332 51.760 52.037 0.092 0.000 0.818 246 A CB 0.375 19.157 19.000 -0.364 0.000 1.087 246 A HN 0.667 nan 8.150 nan 0.000 0.504 247 K N 1.126 121.592 120.400 0.111 0.000 2.427 247 K HA 0.601 4.914 4.320 -0.012 0.000 0.252 247 K C -0.516 176.067 176.600 -0.029 0.000 0.931 247 K CA -0.436 55.880 56.287 0.049 0.000 0.793 247 K CB 2.255 34.816 32.500 0.103 0.000 1.211 247 K HN 0.838 nan 8.250 nan 0.000 0.426 248 A N 4.284 127.028 122.820 -0.128 0.000 2.388 248 A HA 0.435 4.748 4.320 -0.012 0.000 0.257 248 A C -2.111 175.441 177.584 -0.054 0.000 1.095 248 A CA -1.044 50.845 52.037 -0.246 0.000 0.791 248 A CB -0.303 18.397 19.000 -0.499 0.000 1.029 248 A HN 0.338 nan 8.150 nan 0.000 0.489 249 P HA 0.079 nan 4.420 nan 0.000 0.269 249 P C 0.041 177.418 177.300 0.128 0.000 1.215 249 P CA -0.304 62.852 63.100 0.094 0.000 0.780 249 P CB 0.551 32.328 31.700 0.129 0.000 0.898 250 N N 1.139 119.899 118.700 0.099 0.000 2.381 250 N HA -0.127 4.605 4.740 -0.012 0.000 0.182 250 N C 0.786 176.369 175.510 0.121 0.000 1.025 250 N CA 1.104 54.214 53.050 0.100 0.000 0.888 250 N CB -0.473 38.058 38.487 0.073 0.000 0.965 250 N HN 0.553 nan 8.380 nan 0.000 0.438 251 D N -0.979 119.495 120.400 0.124 0.000 2.328 251 D HA -0.065 4.567 4.640 -0.012 0.000 0.221 251 D C 0.073 176.447 176.300 0.123 0.000 1.072 251 D CA -0.574 53.490 54.000 0.107 0.000 0.850 251 D CB -0.984 39.860 40.800 0.073 0.000 0.922 251 D HN 0.061 nan 8.370 nan 0.000 0.516 252 F N 2.437 122.401 119.950 0.023 0.000 2.593 252 F HA 0.045 4.565 4.527 -0.012 0.000 0.393 252 F C 0.651 176.456 175.800 0.009 0.000 1.037 252 F CA 0.217 58.227 58.000 0.018 0.000 1.195 252 F CB 0.062 39.073 39.000 0.018 0.000 1.034 252 F HN -0.140 nan 8.300 nan 0.000 0.552 253 N N 3.274 121.630 118.700 -0.574 0.000 2.713 253 N HA -0.268 4.464 4.740 -0.012 0.000 0.251 253 N C -0.781 174.643 175.510 -0.143 0.000 1.117 253 N CA 1.348 54.155 53.050 -0.404 0.000 0.770 253 N CB -1.392 36.837 38.487 -0.430 0.000 1.137 253 N HN 0.563 nan 8.380 nan 0.000 0.566 262 Y N 0.991 121.294 120.300 0.005 0.000 2.097 262 Y HA -0.099 4.444 4.550 -0.012 0.000 0.282 262 Y C 2.715 178.626 175.900 0.019 0.000 1.152 262 Y CA 2.430 60.537 58.100 0.011 0.000 1.136 262 Y CB -0.096 38.371 38.460 0.011 0.000 0.975 262 Y HN 0.224 nan 8.280 nan 0.000 0.498 263 I N 0.453 120.972 120.570 -0.086 0.000 2.127 263 I HA -0.307 3.856 4.170 -0.012 0.000 0.241 263 I C 2.401 178.424 176.117 -0.155 0.000 1.075 263 I CA 1.816 63.012 61.300 -0.173 0.000 1.334 263 I CB -1.507 36.494 38.000 0.000 0.000 1.040 263 I HN 0.333 nan 8.210 nan 0.000 0.405 264 Q N 1.064 120.821 119.800 -0.072 0.000 2.135 264 Q HA -0.125 4.207 4.340 -0.012 0.000 0.204 264 Q C 2.229 178.196 176.000 -0.055 0.000 0.981 264 Q CA 2.227 58.002 55.803 -0.046 0.000 0.856 264 Q CB -0.378 28.349 28.738 -0.019 0.000 0.902 264 Q HN 0.487 nan 8.270 nan 0.000 0.425 265 A N -0.857 121.912 122.820 -0.084 0.000 1.902 265 A HA -0.137 4.176 4.320 -0.012 0.000 0.217 265 A C 2.242 179.800 177.584 -0.044 0.000 1.181 265 A CA 1.682 53.679 52.037 -0.066 0.000 0.623 265 A CB -0.742 18.215 19.000 -0.071 0.000 0.818 265 A HN 0.265 nan 8.150 nan 0.000 0.443 266 V N 0.112 119.922 119.914 -0.173 0.000 2.358 266 V HA -0.217 3.896 4.120 -0.012 0.000 0.246 266 V C 2.510 178.577 176.094 -0.046 0.000 1.047 266 V CA 1.762 63.980 62.300 -0.138 0.000 1.035 266 V CB -0.746 30.896 31.823 -0.301 0.000 0.658 266 V HN 0.562 nan 8.190 nan 0.000 0.452 267 L N -0.184 121.007 121.223 -0.053 0.000 2.131 267 L HA -0.153 4.180 4.340 -0.012 0.000 0.210 267 L C 2.023 178.911 176.870 0.030 0.000 1.092 267 L CA 1.273 56.105 54.840 -0.013 0.000 0.759 267 L CB -0.654 41.394 42.059 -0.018 0.000 0.903 267 L HN 0.328 nan 8.230 nan 0.000 0.435 268 D N -0.056 120.385 120.400 0.069 0.000 2.378 268 D HA -0.073 4.560 4.640 -0.012 0.000 0.227 268 D C 2.117 178.571 176.300 0.257 0.000 1.012 268 D CA 0.431 54.519 54.000 0.148 0.000 0.905 268 D CB -0.002 40.886 40.800 0.146 0.000 0.895 268 D HN 0.228 nan 8.370 nan 0.000 0.532 269 R N 0.290 120.889 120.500 0.164 0.000 2.159 269 R HA -0.077 4.256 4.340 -0.012 0.000 0.237 269 R C 1.683 177.890 176.300 -0.155 0.000 1.131 269 R CA 0.914 56.971 56.100 -0.073 0.000 0.982 269 R CB -0.284 29.982 30.300 -0.057 0.000 0.868 269 R HN 0.345 nan 8.270 nan 0.000 0.453 270 N N 0.297 118.973 118.700 -0.039 0.000 2.192 270 N HA -0.188 4.544 4.740 -0.012 0.000 0.188 270 N C 1.220 176.706 175.510 -0.039 0.000 1.013 270 N CA 0.734 53.765 53.050 -0.031 0.000 0.863 270 N CB -0.093 38.397 38.487 0.005 0.000 0.990 270 N HN 0.020 nan 8.380 nan 0.000 0.430 271 L N 1.030 122.248 121.223 -0.008 0.000 2.042 271 L HA -0.139 4.194 4.340 -0.012 0.000 0.210 271 L C 2.437 179.274 176.870 -0.056 0.000 1.076 271 L CA 1.459 56.309 54.840 0.016 0.000 0.749 271 L CB -1.064 41.067 42.059 0.120 0.000 0.893 271 L HN 0.169 nan 8.230 nan 0.000 0.432 272 A N -0.950 121.755 122.820 -0.191 0.000 1.897 272 A HA -0.159 4.154 4.320 -0.012 0.000 0.215 272 A C 2.160 179.620 177.584 -0.207 0.000 1.181 272 A CA 1.340 53.224 52.037 -0.256 0.000 0.620 272 A CB -0.421 18.247 19.000 -0.552 0.000 0.821 272 A HN 0.510 nan 8.150 nan 0.000 0.443 273 E N 0.048 120.140 120.200 -0.181 0.000 2.427 273 E HA -0.078 4.265 4.350 -0.012 0.000 0.196 273 E C 1.066 177.622 176.600 -0.073 0.000 1.028 273 E CA 0.259 56.588 56.400 -0.118 0.000 0.864 273 E CB -0.133 29.518 29.700 -0.081 0.000 0.813 273 E HN 0.456 nan 8.360 nan 0.000 0.514 274 N N 1.063 119.729 118.700 -0.057 0.000 2.443 274 N HA -0.112 4.620 4.740 -0.012 0.000 0.184 274 N C 1.595 177.097 175.510 -0.013 0.000 1.037 274 N CA 0.653 53.698 53.050 -0.009 0.000 0.896 274 N CB -0.074 38.414 38.487 0.001 0.000 0.959 274 N HN 0.257 nan 8.380 nan 0.000 0.442 275 I N 0.385 120.889 120.570 -0.110 0.000 2.194 275 I HA -0.270 3.892 4.170 -0.012 0.000 0.246 275 I C 1.504 177.588 176.117 -0.054 0.000 1.093 275 I CA 1.364 62.570 61.300 -0.158 0.000 1.355 275 I CB -0.225 37.512 38.000 -0.437 0.000 1.046 275 I HN 0.143 nan 8.210 nan 0.000 0.413 276 S N -0.480 115.180 115.700 -0.067 0.000 2.582 276 S HA 0.174 4.637 4.470 -0.012 0.000 0.234 276 S C 1.491 176.224 174.600 0.222 0.000 0.961 276 S CA -0.494 57.756 58.200 0.085 0.000 0.953 276 S CB 0.220 63.453 63.200 0.055 0.000 0.800 276 S HN 0.214 nan 8.310 nan 0.000 0.471 277 R N 1.270 121.902 120.500 0.221 0.000 2.062 277 R HA 0.278 4.611 4.340 -0.012 0.000 0.229 277 R C 0.361 176.912 176.300 0.418 0.000 1.128 277 R CA 1.085 57.356 56.100 0.285 0.000 0.960 277 R CB -0.235 30.197 30.300 0.220 0.000 0.855 277 R HN 0.390 nan 8.270 nan 0.000 0.432 278 V N 0.462 120.580 119.914 0.340 0.000 2.851 278 V HA 0.350 4.462 4.120 -0.012 0.000 0.307 278 V C -1.566 174.486 176.094 -0.070 0.000 1.129 278 V CA -1.383 61.036 62.300 0.198 0.000 0.932 278 V CB 1.766 33.631 31.823 0.070 0.000 1.024 278 V HN 0.154 nan 8.190 nan 0.000 0.426 279 L N 7.040 127.995 121.223 -0.447 0.000 2.410 279 L HA 0.437 4.769 4.340 -0.012 0.000 0.273 279 L C -0.766 175.947 176.870 -0.263 0.000 1.144 279 L CA 0.486 54.863 54.840 -0.772 0.000 0.863 279 L CB 0.333 41.901 42.059 -0.818 0.000 1.140 279 L HN 0.678 nan 8.230 nan 0.000 0.463 280 Y N 7.056 127.266 120.300 -0.149 0.000 2.650 280 Y HA 0.160 4.702 4.550 -0.012 0.000 0.331 280 Y C -1.360 174.541 175.900 0.002 0.000 1.165 280 Y CA -1.105 56.984 58.100 -0.018 0.000 1.473 280 Y CB 0.262 38.737 38.460 0.027 0.000 1.224 280 Y HN 0.571 nan 8.280 nan 0.000 0.533 281 P HA 0.040 nan 4.420 nan 0.000 0.244 281 P C -0.898 176.545 177.300 0.239 0.000 1.632 281 P CA 0.076 63.293 63.100 0.195 0.000 0.944 281 P CB 0.115 32.012 31.700 0.328 0.000 1.569 282 N N 1.250 120.097 118.700 0.246 0.000 2.426 282 N HA 0.136 4.869 4.740 -0.012 0.000 0.275 282 N C -0.505 175.162 175.510 0.262 0.000 1.019 282 N CA 0.111 53.330 53.050 0.280 0.000 0.941 282 N CB 1.355 40.055 38.487 0.355 0.000 1.123 282 N HN 0.102 nan 8.380 nan 0.000 0.486 283 D N 1.924 122.503 120.400 0.299 0.000 2.303 283 D HA 0.122 4.755 4.640 -0.012 0.000 0.236 283 D C -0.191 176.334 176.300 0.375 0.000 1.068 283 D CA -0.147 54.030 54.000 0.295 0.000 0.830 283 D CB 0.400 41.368 40.800 0.281 0.000 1.109 283 D HN 0.373 nan 8.370 nan 0.000 0.496 284 N N 2.821 121.703 118.700 0.304 0.000 2.727 284 N HA -0.262 4.470 4.740 -0.012 0.000 0.249 284 N C -1.102 174.646 175.510 0.397 0.000 1.048 284 N CA 0.696 53.915 53.050 0.281 0.000 0.714 284 N CB -1.044 37.562 38.487 0.199 0.000 0.959 284 N HN 0.407 nan 8.380 nan 0.000 0.544 285 F N 0.492 120.550 119.950 0.179 0.000 2.588 285 F HA 0.452 4.972 4.527 -0.012 0.000 0.314 285 F C -1.215 174.667 175.800 0.137 0.000 1.134 285 F CA -1.134 56.949 58.000 0.138 0.000 0.961 285 F CB 1.017 40.065 39.000 0.080 0.000 1.239 285 F HN -0.019 nan 8.300 nan 0.000 0.448 286 F N 5.990 125.501 119.950 -0.731 0.000 2.391 286 F HA 0.434 4.954 4.527 -0.012 0.000 0.359 286 F C -0.394 174.935 175.800 -0.785 0.000 1.122 286 F CA -0.206 57.427 58.000 -0.612 0.000 1.120 286 F CB 0.657 39.349 39.000 -0.512 0.000 1.142 286 F HN 0.583 nan 8.300 nan 0.000 0.483 287 E N 4.414 124.033 120.200 -0.970 0.000 2.114 287 E HA 0.307 4.649 4.350 -0.012 0.000 0.266 287 E C -0.031 175.854 176.600 -1.192 0.000 0.896 287 E CA -0.696 55.216 56.400 -0.813 0.000 0.750 287 E CB 1.217 30.810 29.700 -0.179 0.000 1.121 287 E HN 0.914 nan 8.360 nan 0.000 0.413 288 G N 5.393 113.401 108.800 -1.321 0.000 3.458 288 G HA2 0.054 4.007 3.960 -0.012 0.000 0.256 288 G HA3 0.054 4.007 3.960 -0.012 0.000 0.256 288 G C -0.089 174.706 174.900 -0.175 0.000 0.938 288 G CA -0.269 44.191 45.100 -1.067 0.000 1.890 288 G HN 0.217 nan 8.290 nan 0.000 0.639 289 K N 0.333 120.714 120.400 -0.032 0.000 2.123 289 K HA 0.221 4.534 4.320 -0.012 0.000 0.259 289 K C 0.904 177.646 176.600 0.237 0.000 0.960 289 K CA -0.728 55.636 56.287 0.128 0.000 0.872 289 K CB 2.268 34.845 32.500 0.128 0.000 1.079 289 K HN 0.378 nan 8.250 nan 0.000 0.440 290 E N 1.285 121.590 120.200 0.175 0.000 2.085 290 E HA -0.210 4.133 4.350 -0.012 0.000 0.194 290 E C 1.563 178.199 176.600 0.060 0.000 0.994 290 E CA 1.055 57.512 56.400 0.095 0.000 0.801 290 E CB 0.165 29.921 29.700 0.094 0.000 0.743 290 E HN 0.386 nan 8.360 nan 0.000 0.453 291 L N 1.337 122.638 121.223 0.129 0.000 2.042 291 L HA -0.186 4.146 4.340 -0.012 0.000 0.210 291 L C 2.463 179.441 176.870 0.179 0.000 1.076 291 L CA 1.829 56.763 54.840 0.156 0.000 0.749 291 L CB -0.535 41.677 42.059 0.254 0.000 0.893 291 L HN 0.006 nan 8.230 nan 0.000 0.432 292 R N -0.584 119.988 120.500 0.120 0.000 2.081 292 R HA -0.167 4.165 4.340 -0.012 0.000 0.235 292 R C 2.128 178.488 176.300 0.100 0.000 1.131 292 R CA 1.906 58.004 56.100 -0.003 0.000 0.960 292 R CB -1.063 29.013 30.300 -0.373 0.000 0.856 292 R HN 0.410 nan 8.270 nan 0.000 0.436 293 L N 0.945 122.146 121.223 -0.037 0.000 2.046 293 L HA -0.102 4.231 4.340 -0.012 0.000 0.208 293 L C 1.765 178.587 176.870 -0.080 0.000 1.077 293 L CA 1.923 56.536 54.840 -0.379 0.000 0.747 293 L CB -0.422 41.123 42.059 -0.858 0.000 0.896 293 L HN 0.170 nan 8.230 nan 0.000 0.432 294 K N -1.007 119.387 120.400 -0.009 0.000 2.063 294 K HA -0.212 4.101 4.320 -0.012 0.000 0.208 294 K C 2.085 178.851 176.600 0.276 0.000 1.048 294 K CA 1.847 58.189 56.287 0.091 0.000 0.928 294 K CB -0.203 32.170 32.500 -0.210 0.000 0.713 294 K HN 0.518 nan 8.250 nan 0.000 0.442 295 Q N 0.624 120.556 119.800 0.221 0.000 2.084 295 Q HA -0.197 4.136 4.340 -0.012 0.000 0.202 295 Q C 1.977 178.183 176.000 0.344 0.000 0.978 295 Q CA 1.495 57.486 55.803 0.314 0.000 0.844 295 Q CB -0.046 28.898 28.738 0.343 0.000 0.898 295 Q HN 0.393 nan 8.270 nan 0.000 0.426 296 E N -0.235 120.121 120.200 0.261 0.000 2.077 296 E HA -0.207 4.136 4.350 -0.012 0.000 0.193 296 E C 1.735 178.454 176.600 0.200 0.000 0.989 296 E CA 0.993 57.528 56.400 0.226 0.000 0.800 296 E CB -0.125 29.688 29.700 0.187 0.000 0.746 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.390 120.741 120.300 0.085 0.000 2.220 297 Y HA -0.199 4.343 4.550 -0.012 0.000 0.291 297 Y C 1.967 177.904 175.900 0.062 0.000 1.129 297 Y CA 0.977 59.082 58.100 0.009 0.000 1.161 297 Y CB -0.360 38.070 38.460 -0.049 0.000 0.997 297 Y HN 0.003 nan 8.280 nan 0.000 0.522 298 F N -0.270 119.693 119.950 0.022 0.000 2.065 298 F HA -0.274 4.245 4.527 -0.012 0.000 0.298 298 F C 2.499 178.165 175.800 -0.223 0.000 1.112 298 F CA 2.082 60.044 58.000 -0.063 0.000 1.212 298 F CB -1.095 38.012 39.000 0.178 0.000 0.975 298 F HN -0.050 nan 8.300 nan 0.000 0.476 299 V N -0.520 119.362 119.914 -0.052 0.000 2.427 299 V HA -0.208 3.905 4.120 -0.012 0.000 0.248 299 V C 2.211 178.169 176.094 -0.228 0.000 1.051 299 V CA 1.918 64.161 62.300 -0.095 0.000 1.048 299 V CB -0.368 31.591 31.823 0.226 0.000 0.666 299 V HN 0.263 nan 8.190 nan 0.000 0.456 300 V N 0.367 120.149 119.914 -0.221 0.000 2.307 300 V HA -0.178 3.935 4.120 -0.012 0.000 0.245 300 V C 2.778 178.617 176.094 -0.425 0.000 1.045 300 V CA 2.140 64.292 62.300 -0.247 0.000 1.024 300 V CB -1.035 30.702 31.823 -0.143 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.213 122.182 122.820 -0.709 0.000 1.873 301 A HA -0.060 4.253 4.320 -0.012 0.000 0.215 301 A C 2.405 179.618 177.584 -0.617 0.000 1.186 301 A CA 1.970 53.580 52.037 -0.711 0.000 0.616 301 A CB -0.796 17.562 19.000 -1.069 0.000 0.823 301 A HN 0.550 nan 8.150 nan 0.000 0.442 302 A N -0.928 121.365 122.820 -0.879 0.000 1.877 302 A HA -0.076 4.236 4.320 -0.012 0.000 0.216 302 A C 2.317 179.413 177.584 -0.814 0.000 1.186 302 A CA 2.318 53.643 52.037 -1.186 0.000 0.620 302 A CB -1.315 16.299 19.000 -2.310 0.000 0.822 302 A HN 0.425 nan 8.150 nan 0.000 0.443 303 T N 0.451 114.669 114.554 -0.560 0.000 2.708 303 T HA -0.110 4.233 4.350 -0.012 0.000 0.266 303 T C 1.837 176.278 174.700 -0.431 0.000 1.037 303 T CA 1.492 63.371 62.100 -0.367 0.000 1.146 303 T CB -0.404 68.248 68.868 -0.361 0.000 0.865 303 T HN 0.335 nan 8.240 nan 0.000 0.435 304 L N 0.690 121.704 121.223 -0.348 0.000 2.083 304 L HA -0.170 4.162 4.340 -0.012 0.000 0.209 304 L C 2.940 179.699 176.870 -0.185 0.000 1.083 304 L CA 1.401 56.087 54.840 -0.257 0.000 0.752 304 L CB -0.497 41.449 42.059 -0.189 0.000 0.899 304 L HN 0.362 nan 8.230 nan 0.000 0.433 305 Q N -0.628 119.062 119.800 -0.185 0.000 2.084 305 Q HA -0.256 4.077 4.340 -0.012 0.000 0.202 305 Q C 1.785 177.760 176.000 -0.041 0.000 0.978 305 Q CA 1.775 57.520 55.803 -0.097 0.000 0.844 305 Q CB -0.120 28.547 28.738 -0.117 0.000 0.898 305 Q HN 0.409 nan 8.270 nan 0.000 0.426 306 D N 0.509 120.875 120.400 -0.055 0.000 2.117 306 D HA -0.104 4.529 4.640 -0.012 0.000 0.197 306 D C 1.691 177.946 176.300 -0.075 0.000 0.987 306 D CA 0.868 54.884 54.000 0.028 0.000 0.829 306 D CB -0.044 40.876 40.800 0.200 0.000 0.961 306 D HN 0.159 nan 8.370 nan 0.000 0.460 307 I N 0.137 120.548 120.570 -0.265 0.000 2.163 307 I HA -0.258 3.905 4.170 -0.012 0.000 0.243 307 I C 2.302 178.431 176.117 0.020 0.000 1.085 307 I CA 0.818 61.905 61.300 -0.356 0.000 1.347 307 I CB -0.178 37.453 38.000 -0.615 0.000 1.044 307 I HN 0.045 nan 8.210 nan 0.000 0.408 308 I N 0.160 120.795 120.570 0.109 0.000 2.252 308 I HA -0.281 3.882 4.170 -0.012 0.000 0.245 308 I C 2.786 179.069 176.117 0.276 0.000 1.102 308 I CA 1.125 62.602 61.300 0.294 0.000 1.385 308 I CB -0.431 37.696 38.000 0.210 0.000 1.064 308 I HN 0.189 nan 8.210 nan 0.000 0.414 309 R N 1.259 121.855 120.500 0.159 0.000 2.083 309 R HA -0.222 4.110 4.340 -0.012 0.000 0.237 309 R C 2.494 178.877 176.300 0.139 0.000 1.137 309 R CA 1.787 57.970 56.100 0.138 0.000 0.951 309 R CB -0.284 30.085 30.300 0.115 0.000 0.851 309 R HN 0.218 nan 8.270 nan 0.000 0.434 310 R N -0.602 119.977 120.500 0.131 0.000 2.120 310 R HA -0.164 4.169 4.340 -0.012 0.000 0.234 310 R C 2.165 178.566 176.300 0.168 0.000 1.123 310 R CA 1.617 57.797 56.100 0.133 0.000 0.975 310 R CB -0.340 30.023 30.300 0.104 0.000 0.866 310 R HN 0.287 nan 8.270 nan 0.000 0.446 311 F N 1.325 121.314 119.950 0.064 0.000 2.146 311 F HA -0.089 4.431 4.527 -0.012 0.000 0.298 311 F C 1.661 177.471 175.800 0.017 0.000 1.096 311 F CA 1.483 59.512 58.000 0.048 0.000 1.275 311 F CB 0.063 39.142 39.000 0.131 0.000 1.008 311 F HN -0.147 nan 8.300 nan 0.000 0.480 312 K N -0.417 119.955 120.400 -0.046 0.000 2.217 312 K HA 0.004 4.317 4.320 -0.012 0.000 0.202 312 K C 1.373 177.895 176.600 -0.130 0.000 1.051 312 K CA 1.138 57.324 56.287 -0.170 0.000 0.952 312 K CB -0.182 32.325 32.500 0.011 0.000 0.736 312 K HN 0.095 nan 8.250 nan 0.000 0.453 313 S N 1.331 117.015 115.700 -0.027 0.000 2.677 313 S HA 0.122 4.585 4.470 -0.012 0.000 0.246 313 S C 0.112 174.739 174.600 0.045 0.000 1.005 313 S CA -0.313 57.913 58.200 0.042 0.000 1.062 313 S CB 0.206 63.477 63.200 0.118 0.000 0.778 313 S HN 0.120 nan 8.310 nan 0.000 0.461 325 N N 0.853 119.506 118.700 -0.077 0.000 2.602 325 N HA 0.284 5.017 4.740 -0.012 0.000 0.238 325 N C -0.421 175.148 175.510 0.098 0.000 1.084 325 N CA -0.104 52.970 53.050 0.041 0.000 0.952 325 N CB 0.147 38.657 38.487 0.038 0.000 1.244 325 N HN 0.137 nan 8.380 nan 0.000 0.512 326 F N 1.596 121.660 119.950 0.189 0.000 2.802 326 F HA 0.060 4.580 4.527 -0.012 0.000 0.300 326 F C 1.401 177.266 175.800 0.109 0.000 1.168 326 F CA 0.144 58.224 58.000 0.133 0.000 1.433 326 F CB 0.278 39.242 39.000 -0.061 0.000 1.115 326 F HN 0.453 nan 8.300 nan 0.000 0.582 327 D N 0.389 120.931 120.400 0.235 0.000 2.182 327 D HA -0.171 4.461 4.640 -0.012 0.000 0.201 327 D C 2.163 178.557 176.300 0.156 0.000 0.986 327 D CA 1.329 55.424 54.000 0.159 0.000 0.847 327 D CB -0.133 40.735 40.800 0.114 0.000 0.942 327 D HN 0.236 nan 8.370 nan 0.000 0.467 328 A N -0.790 122.150 122.820 0.200 0.000 2.251 328 A HA 0.108 4.421 4.320 -0.012 0.000 0.209 328 A C 1.560 179.268 177.584 0.207 0.000 1.187 328 A CA -0.282 51.870 52.037 0.192 0.000 0.823 328 A CB -0.759 18.356 19.000 0.193 0.000 0.846 328 A HN 0.216 nan 8.150 nan 0.000 0.486 329 F N 1.947 121.872 119.950 -0.041 0.000 2.065 329 F HA -0.152 4.368 4.527 -0.012 0.000 0.298 329 F C -0.765 174.931 175.800 -0.174 0.000 1.112 329 F CA 2.623 60.389 58.000 -0.391 0.000 1.212 329 F CB -0.569 38.197 39.000 -0.390 0.000 0.975 329 F HN 0.201 nan 8.300 nan 0.000 0.476 330 P HA -0.094 nan 4.420 nan 0.000 0.226 330 P C 0.710 177.969 177.300 -0.068 0.000 1.153 330 P CA 1.420 64.490 63.100 -0.050 0.000 0.777 330 P CB -0.078 31.622 31.700 0.000 0.000 0.794 331 D N -0.737 119.644 120.400 -0.031 0.000 2.277 331 D HA -0.042 4.591 4.640 -0.012 0.000 0.208 331 D C 1.506 177.792 176.300 -0.022 0.000 0.962 331 D CA 0.961 54.955 54.000 -0.010 0.000 0.865 331 D CB 0.088 40.903 40.800 0.025 0.000 0.939 331 D HN 0.153 nan 8.370 nan 0.000 0.510 332 K N -0.048 120.316 120.400 -0.059 0.000 2.402 332 K HA 0.211 4.524 4.320 -0.012 0.000 0.203 332 K C -0.126 176.392 176.600 -0.136 0.000 1.077 332 K CA 0.071 56.334 56.287 -0.039 0.000 1.051 332 K CB 2.393 34.972 32.500 0.132 0.000 0.907 332 K HN -0.065 nan 8.250 nan 0.000 0.554 333 V N 1.055 120.799 119.914 -0.284 0.000 2.686 333 V HA 0.605 4.718 4.120 -0.012 0.000 0.306 333 V C -1.081 174.922 176.094 -0.152 0.000 1.065 333 V CA -1.262 60.865 62.300 -0.289 0.000 0.894 333 V CB 1.813 33.151 31.823 -0.809 0.000 1.004 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.734 128.522 122.820 -0.054 0.000 2.343 334 A HA 0.924 5.236 4.320 -0.012 0.000 0.316 334 A C -0.951 176.664 177.584 0.052 0.000 1.104 334 A CA -0.474 51.564 52.037 0.001 0.000 0.768 334 A CB 0.963 19.922 19.000 -0.070 0.000 1.213 334 A HN 0.775 nan 8.150 nan 0.000 0.456 335 I N 1.894 122.535 120.570 0.118 0.000 2.355 335 I HA 0.298 4.461 4.170 -0.012 0.000 0.288 335 I C -0.261 175.948 176.117 0.154 0.000 0.999 335 I CA -0.533 60.847 61.300 0.133 0.000 1.163 335 I CB 1.884 39.941 38.000 0.094 0.000 1.316 335 I HN 0.685 nan 8.210 nan 0.000 0.454 336 Q N 6.772 126.662 119.800 0.149 0.000 2.314 336 Q HA 0.507 4.840 4.340 -0.012 0.000 0.259 336 Q C -1.296 174.699 176.000 -0.008 0.000 0.951 336 Q CA -0.261 55.650 55.803 0.179 0.000 0.909 336 Q CB 1.305 30.256 28.738 0.356 0.000 1.236 336 Q HN 0.566 nan 8.270 nan 0.000 0.444 337 L N 3.751 125.007 121.223 0.055 0.000 2.261 337 L HA 0.395 4.727 4.340 -0.012 0.000 0.289 337 L C 0.077 176.966 176.870 0.032 0.000 1.059 337 L CA -0.736 54.128 54.840 0.041 0.000 0.816 337 L CB 0.659 42.793 42.059 0.124 0.000 1.191 337 L HN 0.558 nan 8.230 nan 0.000 0.431 338 N N 3.494 122.135 118.700 -0.098 0.000 2.508 338 N HA 0.082 4.814 4.740 -0.012 0.000 0.253 338 N C -0.144 175.361 175.510 -0.008 0.000 1.145 338 N CA 0.437 53.470 53.050 -0.029 0.000 0.973 338 N CB -0.132 38.254 38.487 -0.170 0.000 1.305 338 N HN 0.698 nan 8.380 nan 0.000 0.506 339 D N -0.532 119.972 120.400 0.173 0.000 3.841 339 D HA -0.262 4.371 4.640 -0.012 0.000 0.276 339 D C 0.421 176.802 176.300 0.135 0.000 2.088 339 D CA 2.091 56.170 54.000 0.132 0.000 1.152 339 D CB -0.341 40.307 40.800 -0.253 0.000 0.944 339 D HN 0.507 nan 8.370 nan 0.000 1.144 340 T N -3.194 111.383 114.554 0.038 0.000 3.129 340 T HA 0.099 4.441 4.350 -0.012 0.000 0.251 340 T C 1.411 176.191 174.700 0.132 0.000 1.117 340 T CA 1.383 63.504 62.100 0.035 0.000 1.034 340 T CB -0.489 68.375 68.868 -0.008 0.000 0.968 340 T HN 0.516 nan 8.240 nan 0.000 0.526 341 H N 2.593 121.754 119.070 0.153 0.000 2.352 341 H HA 0.003 4.552 4.556 -0.012 0.000 0.299 341 H C -0.896 174.526 175.328 0.155 0.000 1.097 341 H CA 0.911 57.065 56.048 0.175 0.000 1.311 341 H CB -0.951 28.915 29.762 0.172 0.000 1.377 341 H HN 0.438 nan 8.280 nan 0.000 0.504 342 P HA 0.082 nan 4.420 nan 0.000 0.254 342 P C 0.705 178.051 177.300 0.077 0.000 1.620 342 P CA 0.311 63.493 63.100 0.136 0.000 1.050 342 P CB 0.300 32.067 31.700 0.112 0.000 1.539 343 S N -0.282 115.459 115.700 0.067 0.000 2.440 343 S HA -0.131 4.332 4.470 -0.012 0.000 0.238 343 S C 1.743 176.346 174.600 0.005 0.000 1.010 343 S CA 0.796 58.995 58.200 -0.000 0.000 0.972 343 S CB -1.478 61.699 63.200 -0.037 0.000 0.774 343 S HN 0.157 nan 8.310 nan 0.000 0.501 344 L N 1.041 122.281 121.223 0.028 0.000 2.450 344 L HA -0.005 4.328 4.340 -0.012 0.000 0.224 344 L C 2.942 179.843 176.870 0.052 0.000 1.149 344 L CA 0.635 55.492 54.840 0.028 0.000 0.816 344 L CB -0.797 41.278 42.059 0.026 0.000 0.932 344 L HN 0.471 nan 8.230 nan 0.000 0.449 345 A N 0.626 123.460 122.820 0.023 0.000 1.940 345 A HA -0.215 4.098 4.320 -0.012 0.000 0.219 345 A C 2.174 179.756 177.584 -0.003 0.000 1.176 345 A CA 1.600 53.636 52.037 -0.001 0.000 0.631 345 A CB -0.483 18.509 19.000 -0.013 0.000 0.814 345 A HN 0.376 nan 8.150 nan 0.000 0.446 346 I N 0.253 120.822 120.570 -0.001 0.000 2.090 346 I HA -0.146 4.017 4.170 -0.012 0.000 0.236 346 I C -0.329 175.806 176.117 0.030 0.000 1.064 346 I CA 1.599 62.896 61.300 -0.005 0.000 1.324 346 I CB -1.024 36.974 38.000 -0.003 0.000 1.044 346 I HN 0.243 nan 8.210 nan 0.000 0.399 347 P HA -0.173 nan 4.420 nan 0.000 0.221 347 P C 1.282 178.618 177.300 0.060 0.000 1.150 347 P CA 1.499 64.640 63.100 0.069 0.000 0.800 347 P CB 0.024 31.786 31.700 0.103 0.000 0.787 348 E N 0.275 120.571 120.200 0.160 0.000 2.072 348 E HA -0.160 4.183 4.350 -0.012 0.000 0.191 348 E C 1.933 178.525 176.600 -0.013 0.000 0.985 348 E CA 0.723 57.228 56.400 0.175 0.000 0.801 348 E CB -1.220 28.623 29.700 0.239 0.000 0.750 348 E HN -0.005 nan 8.360 nan 0.000 0.452 349 L N -0.009 121.176 121.223 -0.064 0.000 2.046 349 L HA -0.118 4.215 4.340 -0.012 0.000 0.208 349 L C 2.111 178.848 176.870 -0.223 0.000 1.077 349 L CA 1.799 56.543 54.840 -0.160 0.000 0.747 349 L CB -0.594 41.372 42.059 -0.155 0.000 0.896 349 L HN 0.247 nan 8.230 nan 0.000 0.432 350 M N -0.827 118.657 119.600 -0.193 0.000 2.108 350 M HA -0.226 4.247 4.480 -0.012 0.000 0.261 350 M C 2.435 178.585 176.300 -0.250 0.000 1.066 350 M CA 1.577 56.715 55.300 -0.270 0.000 1.107 350 M CB -1.222 31.206 32.600 -0.286 0.000 1.356 350 M HN 0.332 nan 8.290 nan 0.000 0.406 351 R N 0.059 120.437 120.500 -0.203 0.000 2.080 351 R HA -0.145 4.187 4.340 -0.012 0.000 0.236 351 R C 2.067 178.270 176.300 -0.162 0.000 1.137 351 R CA 1.819 57.800 56.100 -0.200 0.000 0.943 351 R CB -0.212 29.917 30.300 -0.285 0.000 0.846 351 R HN 0.222 nan 8.270 nan 0.000 0.431 352 V N 1.385 121.201 119.914 -0.164 0.000 2.295 352 V HA -0.250 3.863 4.120 -0.012 0.000 0.246 352 V C 2.400 178.336 176.094 -0.262 0.000 1.049 352 V CA 1.728 63.923 62.300 -0.174 0.000 1.024 352 V CB -0.422 31.297 31.823 -0.173 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.621 120.386 121.223 -0.361 0.000 2.093 353 L HA -0.114 4.219 4.340 -0.012 0.000 0.208 353 L C 2.363 179.054 176.870 -0.298 0.000 1.085 353 L CA 1.021 55.580 54.840 -0.467 0.000 0.755 353 L CB -0.553 41.182 42.059 -0.541 0.000 0.904 353 L HN 0.211 nan 8.230 nan 0.000 0.435 354 V N -0.694 119.092 119.914 -0.214 0.000 2.374 354 V HA -0.155 3.958 4.120 -0.012 0.000 0.241 354 V C 1.907 177.963 176.094 -0.063 0.000 1.034 354 V CA 1.578 63.814 62.300 -0.106 0.000 1.037 354 V CB -0.299 31.497 31.823 -0.044 0.000 0.682 354 V HN 0.326 nan 8.190 nan 0.000 0.463 355 D N -0.063 120.295 120.400 -0.070 0.000 2.162 355 D HA 0.009 4.642 4.640 -0.012 0.000 0.203 355 D C 1.996 178.271 176.300 -0.041 0.000 0.967 355 D CA 1.130 55.105 54.000 -0.041 0.000 0.840 355 D CB 0.138 40.912 40.800 -0.044 0.000 0.972 355 D HN 0.328 nan 8.370 nan 0.000 0.482 356 L N 0.116 121.299 121.223 -0.067 0.000 2.362 356 L HA 0.129 4.462 4.340 -0.012 0.000 0.204 356 L C 1.834 178.675 176.870 -0.048 0.000 1.060 356 L CA 0.434 55.245 54.840 -0.049 0.000 0.827 356 L CB 0.136 42.166 42.059 -0.047 0.000 1.027 356 L HN -0.204 nan 8.230 nan 0.000 0.474 357 E N 0.398 120.536 120.200 -0.104 0.000 2.447 357 E HA 0.039 4.382 4.350 -0.012 0.000 0.195 357 E C 0.057 176.623 176.600 -0.058 0.000 1.028 357 E CA -0.023 56.322 56.400 -0.091 0.000 0.876 357 E CB 0.375 29.908 29.700 -0.277 0.000 0.885 357 E HN 0.188 nan 8.360 nan 0.000 0.500 358 R N -0.284 120.178 120.500 -0.063 0.000 3.656 358 R HA -0.180 4.153 4.340 -0.012 0.000 0.297 358 R C -0.376 175.911 176.300 -0.022 0.000 1.166 358 R CA 0.227 56.312 56.100 -0.024 0.000 0.799 358 R CB -2.881 27.423 30.300 0.006 0.000 1.285 358 R HN 0.079 nan 8.270 nan 0.000 0.477 359 L N 2.310 123.491 121.223 -0.069 0.000 2.417 359 L HA 0.157 4.490 4.340 -0.012 0.000 0.268 359 L C 1.444 178.309 176.870 -0.009 0.000 1.158 359 L CA 0.169 54.977 54.840 -0.053 0.000 0.819 359 L CB 0.429 42.406 42.059 -0.137 0.000 1.112 359 L HN 0.143 nan 8.230 nan 0.000 0.458 360 D N 1.218 121.637 120.400 0.031 0.000 2.382 360 D HA -0.146 4.487 4.640 -0.012 0.000 0.240 360 D C 0.961 177.331 176.300 0.117 0.000 1.146 360 D CA -0.492 53.560 54.000 0.088 0.000 0.897 360 D CB 0.734 41.589 40.800 0.092 0.000 1.197 360 D HN 0.627 nan 8.370 nan 0.000 0.432 361 W N 2.326 123.629 121.300 0.006 0.000 2.317 361 W HA -0.244 4.409 4.660 -0.012 0.000 0.318 361 W C 1.034 177.598 176.519 0.075 0.000 1.227 361 W CA 1.951 59.307 57.345 0.018 0.000 1.269 361 W CB -0.275 29.177 29.460 -0.014 0.000 1.155 361 W HN 0.467 nan 8.180 nan 0.000 0.484 362 D N 0.294 120.887 120.400 0.322 0.000 2.123 362 D HA -0.208 4.425 4.640 -0.012 0.000 0.196 362 D C 1.887 178.281 176.300 0.158 0.000 0.992 362 D CA 2.024 56.184 54.000 0.267 0.000 0.833 362 D CB -0.424 40.507 40.800 0.218 0.000 0.954 362 D HN 0.090 nan 8.370 nan 0.000 0.455 363 K N 1.139 121.593 120.400 0.089 0.000 2.025 363 K HA 0.014 4.327 4.320 -0.012 0.000 0.207 363 K C 1.855 178.441 176.600 -0.024 0.000 1.049 363 K CA 1.461 57.772 56.287 0.041 0.000 0.933 363 K CB -0.565 31.956 32.500 0.035 0.000 0.714 363 K HN -0.003 nan 8.250 nan 0.000 0.438 364 A N 0.660 123.422 122.820 -0.096 0.000 1.908 364 A HA -0.196 4.116 4.320 -0.012 0.000 0.218 364 A C 2.257 179.734 177.584 -0.178 0.000 1.181 364 A CA 1.559 53.470 52.037 -0.210 0.000 0.627 364 A CB -1.227 17.585 19.000 -0.314 0.000 0.818 364 A HN 0.705 nan 8.150 nan 0.000 0.445 365 W N 0.600 121.677 121.300 -0.373 0.000 2.381 365 W HA -0.171 4.482 4.660 -0.012 0.000 0.301 365 W C 1.996 178.448 176.519 -0.112 0.000 1.205 365 W CA 1.806 58.981 57.345 -0.285 0.000 1.285 365 W CB -0.149 29.169 29.460 -0.237 0.000 1.133 365 W HN 0.622 nan 8.180 nan 0.000 0.521 366 E N 0.139 120.323 120.200 -0.027 0.000 2.058 366 E HA -0.241 4.102 4.350 -0.012 0.000 0.194 366 E C 2.039 178.560 176.600 -0.132 0.000 0.997 366 E CA 2.141 58.495 56.400 -0.077 0.000 0.801 366 E CB -0.358 29.355 29.700 0.021 0.000 0.746 366 E HN 0.049 nan 8.360 nan 0.000 0.450 367 V N 0.666 120.517 119.914 -0.106 0.000 2.295 367 V HA -0.260 3.852 4.120 -0.012 0.000 0.246 367 V C 2.391 178.418 176.094 -0.111 0.000 1.049 367 V CA 2.194 64.452 62.300 -0.071 0.000 1.024 367 V CB -0.762 31.015 31.823 -0.077 0.000 0.648 367 V HN 0.402 nan 8.190 nan 0.000 0.447 368 T N 0.013 114.425 114.554 -0.236 0.000 2.708 368 T HA -0.175 4.168 4.350 -0.012 0.000 0.266 368 T C 1.954 176.468 174.700 -0.310 0.000 1.037 368 T CA 1.746 63.679 62.100 -0.278 0.000 1.146 368 T CB -0.294 68.350 68.868 -0.373 0.000 0.865 368 T HN 0.276 nan 8.240 nan 0.000 0.435 369 V N 1.469 121.083 119.914 -0.500 0.000 2.295 369 V HA -0.179 3.933 4.120 -0.012 0.000 0.246 369 V C 2.355 178.406 176.094 -0.071 0.000 1.049 369 V CA 1.656 63.724 62.300 -0.387 0.000 1.024 369 V CB -0.496 31.024 31.823 -0.505 0.000 0.648 369 V HN 0.468 nan 8.190 nan 0.000 0.447 370 K N -0.499 119.845 120.400 -0.094 0.000 2.362 370 K HA -0.079 4.233 4.320 -0.012 0.000 0.200 370 K C 2.053 178.632 176.600 -0.035 0.000 1.046 370 K CA 1.490 57.709 56.287 -0.113 0.000 0.952 370 K CB -0.183 32.245 32.500 -0.120 0.000 0.753 370 K HN 0.484 nan 8.250 nan 0.000 0.466 371 T N 0.116 114.704 114.554 0.057 0.000 2.976 371 T HA 0.027 4.370 4.350 -0.012 0.000 0.257 371 T C 0.908 175.715 174.700 0.179 0.000 1.051 371 T CA 0.362 62.528 62.100 0.110 0.000 1.141 371 T CB 0.116 69.079 68.868 0.158 0.000 0.881 371 T HN 0.158 nan 8.240 nan 0.000 0.461 372 C N 2.401 121.788 119.300 0.145 0.000 2.401 372 C HA 0.882 5.335 4.460 -0.012 0.000 0.365 372 C C 0.606 175.641 174.990 0.076 0.000 1.250 372 C CA -1.199 57.880 59.018 0.100 0.000 2.131 372 C CB 0.064 27.803 27.740 -0.001 0.000 2.445 372 C HN 0.602 nan 8.230 nan 0.000 0.550 373 A N 2.139 124.999 122.820 0.067 0.000 2.498 373 A HA 0.775 5.088 4.320 -0.012 0.000 0.298 373 A C -1.584 176.064 177.584 0.107 0.000 1.075 373 A CA -0.432 51.591 52.037 -0.024 0.000 0.714 373 A CB 1.078 20.051 19.000 -0.045 0.000 1.299 373 A HN 0.942 nan 8.150 nan 0.000 0.407 374 Y N 1.044 121.287 120.300 -0.096 0.000 2.361 374 Y HA 0.615 5.158 4.550 -0.012 0.000 0.337 374 Y C -0.564 175.310 175.900 -0.043 0.000 0.965 374 Y CA -0.317 57.739 58.100 -0.073 0.000 1.091 374 Y CB 2.014 40.387 38.460 -0.144 0.000 1.182 374 Y HN 0.572 nan 8.280 nan 0.000 0.450 375 T N 6.557 120.911 114.554 -0.334 0.000 2.758 375 T HA 0.175 4.518 4.350 -0.012 0.000 0.285 375 T C -0.709 173.543 174.700 -0.746 0.000 0.981 375 T CA -0.776 61.054 62.100 -0.449 0.000 0.965 375 T CB 0.394 69.217 68.868 -0.075 0.000 0.927 375 T HN 0.648 nan 8.240 nan 0.000 0.448 376 N N 1.961 120.200 118.700 -0.768 0.000 2.479 376 N HA 0.114 4.847 4.740 -0.012 0.000 0.285 376 N C 0.082 175.486 175.510 -0.177 0.000 1.075 376 N CA -0.288 52.556 53.050 -0.344 0.000 0.967 376 N CB 0.732 39.188 38.487 -0.053 0.000 1.137 376 N HN 0.670 nan 8.380 nan 0.000 0.472 377 H N 1.135 120.229 119.070 0.039 0.000 2.893 377 H HA 0.159 4.708 4.556 -0.012 0.000 0.270 377 H C -0.208 175.039 175.328 -0.135 0.000 1.095 377 H CA 0.012 56.033 56.048 -0.045 0.000 1.186 377 H CB 1.166 30.910 29.762 -0.030 0.000 1.562 377 H HN 0.515 nan 8.280 nan 0.000 0.536 378 T N 0.333 114.923 114.554 0.061 0.000 2.957 378 T HA 0.225 4.568 4.350 -0.012 0.000 0.336 378 T C 0.403 175.140 174.700 0.061 0.000 1.462 378 T CA -0.415 61.678 62.100 -0.010 0.000 1.073 378 T CB 1.373 70.234 68.868 -0.012 0.000 1.319 378 T HN -0.025 nan 8.240 nan 0.000 0.485 379 V N 2.102 122.015 119.914 -0.003 0.000 3.528 379 V HA 0.558 4.671 4.120 -0.012 0.000 0.294 379 V C 0.573 176.635 176.094 -0.053 0.000 1.404 379 V CA 0.001 62.282 62.300 -0.031 0.000 1.065 379 V CB -0.435 31.369 31.823 -0.032 0.000 0.904 379 V HN 0.700 nan 8.190 nan 0.000 0.435 380 L N 3.024 124.205 121.223 -0.069 0.000 2.534 380 L HA 0.223 4.556 4.340 -0.012 0.000 0.271 380 L C -0.609 176.265 176.870 0.006 0.000 1.178 380 L CA -1.048 53.771 54.840 -0.034 0.000 0.907 380 L CB 0.535 42.549 42.059 -0.074 0.000 1.164 380 L HN 0.118 nan 8.230 nan 0.000 0.482 381 P HA -0.226 nan 4.420 nan 0.000 0.216 381 P C 0.983 178.290 177.300 0.011 0.000 1.150 381 P CA 1.309 64.413 63.100 0.007 0.000 0.843 381 P CB 0.037 31.747 31.700 0.016 0.000 0.787 382 E N 0.138 120.375 120.200 0.061 0.000 2.478 382 E HA -0.027 4.316 4.350 -0.012 0.000 0.198 382 E C 1.529 178.120 176.600 -0.015 0.000 1.046 382 E CA 0.967 57.396 56.400 0.049 0.000 0.870 382 E CB -0.643 29.182 29.700 0.207 0.000 0.818 382 E HN 0.197 nan 8.360 nan 0.000 0.527 383 A N 1.110 123.952 122.820 0.038 0.000 2.220 383 A HA 0.256 4.568 4.320 -0.012 0.000 0.211 383 A C 1.231 178.816 177.584 0.001 0.000 1.176 383 A CA -0.318 51.755 52.037 0.059 0.000 0.834 383 A CB -0.005 19.054 19.000 0.099 0.000 0.868 383 A HN 0.146 nan 8.150 nan 0.000 0.488 384 L N 1.473 122.650 121.223 -0.078 0.000 2.331 384 L HA 0.186 4.519 4.340 -0.012 0.000 0.278 384 L C -0.128 176.432 176.870 -0.516 0.000 1.106 384 L CA -0.272 54.465 54.840 -0.172 0.000 0.824 384 L CB 0.794 42.785 42.059 -0.112 0.000 1.142 384 L HN 0.300 nan 8.230 nan 0.000 0.443 385 E N 4.211 124.015 120.200 -0.660 0.000 2.217 385 E HA 0.227 4.570 4.350 -0.012 0.000 0.279 385 E C -0.601 175.390 176.600 -1.015 0.000 1.068 385 E CA -0.153 55.410 56.400 -1.394 0.000 0.882 385 E CB 0.743 29.961 29.700 -0.803 0.000 1.039 385 E HN 0.391 nan 8.360 nan 0.000 0.418 386 R N 3.644 123.410 120.500 -1.223 0.000 2.472 386 R HA 0.197 4.530 4.340 -0.012 0.000 0.294 386 R C -1.289 174.827 176.300 -0.307 0.000 1.243 386 R CA -0.536 55.262 56.100 -0.503 0.000 1.023 386 R CB 0.862 30.994 30.300 -0.281 0.000 1.157 386 R HN 0.456 nan 8.270 nan 0.000 0.530 387 W N 4.632 125.881 121.300 -0.086 0.000 2.322 387 W HA 0.287 4.940 4.660 -0.012 0.000 0.307 387 W C -1.896 174.603 176.519 -0.033 0.000 1.220 387 W CA -2.170 55.186 57.345 0.018 0.000 1.210 387 W CB 0.853 30.302 29.460 -0.018 0.000 1.223 387 W HN 0.261 nan 8.180 nan 0.000 0.511 388 P HA -0.102 nan 4.420 nan 0.000 0.264 388 P C 0.799 178.057 177.300 -0.070 0.000 1.193 388 P CA 0.265 63.365 63.100 -0.001 0.000 0.763 388 P CB 0.725 32.281 31.700 -0.240 0.000 0.810 389 V N 3.361 123.283 119.914 0.013 0.000 2.392 389 V HA -0.289 3.824 4.120 -0.012 0.000 0.249 389 V C 2.175 178.280 176.094 0.019 0.000 1.059 389 V CA 2.562 64.884 62.300 0.036 0.000 1.051 389 V CB -1.713 30.189 31.823 0.131 0.000 0.658 389 V HN 0.765 nan 8.190 nan 0.000 0.455 390 H N -0.748 118.381 119.070 0.099 0.000 2.421 390 H HA -0.115 4.434 4.556 -0.012 0.000 0.298 390 H C 1.990 177.369 175.328 0.084 0.000 1.087 390 H CA 1.778 57.879 56.048 0.090 0.000 1.330 390 H CB -0.650 29.166 29.762 0.090 0.000 1.388 390 H HN 0.359 nan 8.280 nan 0.000 0.526 391 L N -0.103 120.933 121.223 -0.312 0.000 2.027 391 L HA -0.092 4.241 4.340 -0.012 0.000 0.206 391 L C 2.447 179.264 176.870 -0.089 0.000 1.074 391 L CA 1.035 55.806 54.840 -0.115 0.000 0.745 391 L CB -0.285 41.699 42.059 -0.125 0.000 0.898 391 L HN 0.317 nan 8.230 nan 0.000 0.433 392 L N -0.597 120.551 121.223 -0.124 0.000 2.093 392 L HA -0.204 4.129 4.340 -0.012 0.000 0.208 392 L C 2.498 179.305 176.870 -0.105 0.000 1.085 392 L CA 0.979 55.721 54.840 -0.162 0.000 0.755 392 L CB -0.363 41.588 42.059 -0.181 0.000 0.904 392 L HN 0.295 nan 8.230 nan 0.000 0.435 393 E N -0.331 119.850 120.200 -0.031 0.000 2.058 393 E HA -0.221 4.122 4.350 -0.012 0.000 0.194 393 E C 1.923 178.560 176.600 0.061 0.000 0.997 393 E CA 2.007 58.421 56.400 0.024 0.000 0.801 393 E CB 0.136 29.890 29.700 0.089 0.000 0.746 393 E HN 0.413 nan 8.360 nan 0.000 0.450 394 T N 0.646 115.260 114.554 0.100 0.000 2.809 394 T HA -0.082 4.261 4.350 -0.012 0.000 0.260 394 T C 1.721 176.535 174.700 0.189 0.000 1.039 394 T CA 0.792 63.004 62.100 0.186 0.000 1.141 394 T CB -0.145 68.867 68.868 0.238 0.000 0.869 394 T HN 0.072 nan 8.240 nan 0.000 0.437 395 L N -0.008 121.225 121.223 0.016 0.000 2.162 395 L HA 0.352 4.685 4.340 -0.012 0.000 0.205 395 L C 0.399 177.210 176.870 -0.098 0.000 1.086 395 L CA 1.578 56.310 54.840 -0.181 0.000 0.778 395 L CB 0.010 41.921 42.059 -0.248 0.000 0.928 395 L HN 0.176 nan 8.230 nan 0.000 0.446 396 L N 0.691 121.818 121.223 -0.161 0.000 2.551 396 L HA 0.293 4.625 4.340 -0.012 0.000 0.248 396 L C -1.727 174.964 176.870 -0.298 0.000 1.509 396 L CA -0.930 53.727 54.840 -0.305 0.000 0.842 396 L CB 0.942 42.675 42.059 -0.543 0.000 1.087 396 L HN -0.062 nan 8.230 nan 0.000 0.512 397 P HA -0.179 nan 4.420 nan 0.000 0.217 397 P C 1.459 178.564 177.300 -0.324 0.000 1.150 397 P CA 1.066 64.046 63.100 -0.201 0.000 0.832 397 P CB 0.389 32.047 31.700 -0.070 0.000 0.787 398 R N -0.118 120.005 120.500 -0.629 0.000 2.090 398 R HA -0.129 4.204 4.340 -0.012 0.000 0.228 398 R C 2.280 178.268 176.300 -0.520 0.000 1.110 398 R CA 1.638 57.371 56.100 -0.613 0.000 0.973 398 R CB -1.630 28.136 30.300 -0.889 0.000 0.869 398 R HN 0.244 nan 8.270 nan 0.000 0.440 399 H N -0.308 118.451 119.070 -0.519 0.000 2.387 399 H HA -0.046 4.503 4.556 -0.012 0.000 0.299 399 H C 1.824 176.976 175.328 -0.294 0.000 1.090 399 H CA 1.638 57.465 56.048 -0.367 0.000 1.332 399 H CB -0.142 29.369 29.762 -0.418 0.000 1.386 399 H HN 0.078 nan 8.280 nan 0.000 0.516 400 L N 0.556 121.648 121.223 -0.218 0.000 2.012 400 L HA -0.274 4.059 4.340 -0.012 0.000 0.210 400 L C 1.966 178.614 176.870 -0.370 0.000 1.073 400 L CA 1.664 56.299 54.840 -0.342 0.000 0.748 400 L CB -0.321 41.553 42.059 -0.309 0.000 0.891 400 L HN 0.450 nan 8.230 nan 0.000 0.431 401 Q N -0.311 119.390 119.800 -0.167 0.000 2.096 401 Q HA -0.253 4.080 4.340 -0.012 0.000 0.204 401 Q C 2.162 178.170 176.000 0.013 0.000 0.982 401 Q CA 1.809 57.610 55.803 -0.003 0.000 0.850 401 Q CB -0.154 28.590 28.738 0.010 0.000 0.901 401 Q HN 0.561 nan 8.270 nan 0.000 0.422 402 I N 0.341 120.899 120.570 -0.020 0.000 2.226 402 I HA -0.277 3.886 4.170 -0.012 0.000 0.245 402 I C 2.149 178.337 176.117 0.119 0.000 1.100 402 I CA 1.025 62.396 61.300 0.120 0.000 1.374 402 I CB -0.158 37.877 38.000 0.058 0.000 1.057 402 I HN 0.194 nan 8.210 nan 0.000 0.413 403 I N -0.469 120.091 120.570 -0.017 0.000 2.226 403 I HA -0.324 3.839 4.170 -0.012 0.000 0.245 403 I C 2.402 178.536 176.117 0.029 0.000 1.100 403 I CA 1.443 62.724 61.300 -0.032 0.000 1.374 403 I CB -0.404 37.510 38.000 -0.144 0.000 1.057 403 I HN 0.154 nan 8.210 nan 0.000 0.413 404 Y N 0.824 121.129 120.300 0.009 0.000 2.165 404 Y HA -0.283 4.260 4.550 -0.012 0.000 0.286 404 Y C 2.611 178.479 175.900 -0.054 0.000 1.155 404 Y CA 1.570 59.662 58.100 -0.014 0.000 1.164 404 Y CB -0.828 37.616 38.460 -0.027 0.000 0.978 404 Y HN 0.199 nan 8.280 nan 0.000 0.513 405 E N 0.352 120.591 120.200 0.065 0.000 2.072 405 E HA -0.138 4.205 4.350 -0.012 0.000 0.191 405 E C 2.085 178.609 176.600 -0.128 0.000 0.985 405 E CA 1.217 57.517 56.400 -0.167 0.000 0.801 405 E CB -0.531 28.889 29.700 -0.466 0.000 0.750 405 E HN 0.472 nan 8.360 nan 0.000 0.452 406 I N 0.675 121.270 120.570 0.043 0.000 2.163 406 I HA -0.299 3.863 4.170 -0.012 0.000 0.243 406 I C 2.285 178.412 176.117 0.016 0.000 1.085 406 I CA 1.425 62.706 61.300 -0.030 0.000 1.347 406 I CB -0.431 37.557 38.000 -0.020 0.000 1.044 406 I HN 0.208 nan 8.210 nan 0.000 0.408 407 N N 0.716 119.470 118.700 0.090 0.000 2.069 407 N HA -0.273 4.460 4.740 -0.012 0.000 0.191 407 N C 1.872 177.469 175.510 0.144 0.000 1.031 407 N CA 1.601 54.751 53.050 0.166 0.000 0.852 407 N CB -0.172 38.430 38.487 0.191 0.000 1.018 407 N HN 0.329 nan 8.380 nan 0.000 0.423 408 Q N 0.007 119.838 119.800 0.053 0.000 2.050 408 Q HA -0.134 4.199 4.340 -0.012 0.000 0.202 408 Q C 2.031 178.019 176.000 -0.019 0.000 0.980 408 Q CA 1.406 57.205 55.803 -0.006 0.000 0.840 408 Q CB -0.014 28.681 28.738 -0.073 0.000 0.898 408 Q HN 0.376 nan 8.270 nan 0.000 0.424 409 R N -0.689 119.779 120.500 -0.053 0.000 2.092 409 R HA -0.124 4.209 4.340 -0.012 0.000 0.231 409 R C 2.158 178.485 176.300 0.045 0.000 1.119 409 R CA 1.355 57.422 56.100 -0.055 0.000 0.970 409 R CB -0.354 29.865 30.300 -0.134 0.000 0.864 409 R HN 0.271 nan 8.270 nan 0.000 0.440 410 F N 1.354 121.280 119.950 -0.041 0.000 2.113 410 F HA -0.110 4.410 4.527 -0.012 0.000 0.297 410 F C 1.811 177.632 175.800 0.035 0.000 1.103 410 F CA 1.383 59.404 58.000 0.035 0.000 1.248 410 F CB -0.175 38.877 39.000 0.086 0.000 0.999 410 F HN -0.110 nan 8.300 nan 0.000 0.475 411 L N -0.051 121.188 121.223 0.026 0.000 2.201 411 L HA -0.226 4.107 4.340 -0.012 0.000 0.212 411 L C 1.976 178.783 176.870 -0.104 0.000 1.105 411 L CA 1.496 56.291 54.840 -0.076 0.000 0.775 411 L CB -0.892 41.184 42.059 0.028 0.000 0.913 411 L HN 0.250 nan 8.230 nan 0.000 0.440 412 N N -0.190 118.466 118.700 -0.073 0.000 2.166 412 N HA -0.172 4.561 4.740 -0.012 0.000 0.186 412 N C 1.930 177.385 175.510 -0.091 0.000 1.019 412 N CA 0.793 53.801 53.050 -0.070 0.000 0.856 412 N CB -0.001 38.453 38.487 -0.056 0.000 0.993 412 N HN 0.281 nan 8.380 nan 0.000 0.426 413 R N 0.516 120.939 120.500 -0.127 0.000 2.075 413 R HA -0.042 4.291 4.340 -0.012 0.000 0.232 413 R C 2.185 178.377 176.300 -0.179 0.000 1.126 413 R CA 0.860 56.875 56.100 -0.141 0.000 0.963 413 R CB -0.272 29.945 30.300 -0.140 0.000 0.858 413 R HN 0.074 nan 8.270 nan 0.000 0.435 414 V N 0.887 120.640 119.914 -0.268 0.000 2.295 414 V HA -0.241 3.872 4.120 -0.012 0.000 0.246 414 V C 2.407 178.495 176.094 -0.011 0.000 1.049 414 V CA 1.992 64.201 62.300 -0.150 0.000 1.024 414 V CB -0.719 30.948 31.823 -0.259 0.000 0.648 414 V HN 0.413 nan 8.190 nan 0.000 0.447 415 A N -0.037 122.750 122.820 -0.054 0.000 1.933 415 A HA -0.095 4.217 4.320 -0.012 0.000 0.218 415 A C 2.385 179.947 177.584 -0.036 0.000 1.175 415 A CA 2.045 54.069 52.037 -0.023 0.000 0.628 415 A CB -0.673 18.305 19.000 -0.036 0.000 0.814 415 A HN 0.576 nan 8.150 nan 0.000 0.444 416 A N -0.459 122.320 122.820 -0.069 0.000 1.929 416 A HA 0.277 4.590 4.320 -0.012 0.000 0.216 416 A C 2.405 179.903 177.584 -0.143 0.000 1.176 416 A CA 1.745 53.731 52.037 -0.086 0.000 0.628 416 A CB -0.721 18.231 19.000 -0.080 0.000 0.816 416 A HN 0.953 nan 8.150 nan 0.000 0.444 417 A N -1.523 121.170 122.820 -0.212 0.000 1.970 417 A HA 0.339 4.652 4.320 -0.012 0.000 0.216 417 A C 0.490 177.652 177.584 -0.703 0.000 1.170 417 A CA 0.589 52.336 52.037 -0.484 0.000 0.645 417 A CB -0.200 18.433 19.000 -0.611 0.000 0.816 417 A HN 0.430 nan 8.150 nan 0.000 0.447 418 F N 0.055 119.958 119.950 -0.079 0.000 2.622 418 F HA 0.348 4.868 4.527 -0.012 0.000 0.338 418 F C -2.780 172.984 175.800 -0.060 0.000 1.334 418 F CA -2.801 55.158 58.000 -0.068 0.000 1.179 418 F CB 0.810 39.762 39.000 -0.080 0.000 1.471 418 F HN -0.062 nan 8.300 nan 0.000 0.576 419 P HA 0.211 nan 4.420 nan 0.000 0.267 419 P C 0.999 178.320 177.300 0.034 0.000 1.205 419 P CA 0.878 63.991 63.100 0.022 0.000 0.765 419 P CB 0.959 32.654 31.700 -0.009 0.000 0.828 420 G N 2.504 111.317 108.800 0.021 0.000 2.205 420 G HA2 -0.242 3.711 3.960 -0.012 0.000 0.261 420 G HA3 -0.242 3.711 3.960 -0.012 0.000 0.261 420 G C 0.310 175.219 174.900 0.015 0.000 0.980 420 G CA 0.018 45.126 45.100 0.014 0.000 0.632 420 G HN 0.607 nan 8.290 nan 0.000 0.533 421 D N 1.449 121.866 120.400 0.029 0.000 2.551 421 D HA 0.380 5.012 4.640 -0.012 0.000 0.223 421 D C 2.092 178.383 176.300 -0.016 0.000 1.144 421 D CA 0.397 54.400 54.000 0.004 0.000 1.025 421 D CB 0.384 41.184 40.800 0.000 0.000 1.085 421 D HN 0.589 nan 8.370 nan 0.000 0.506 422 V N 0.761 120.668 119.914 -0.013 0.000 2.515 422 V HA -0.140 3.973 4.120 -0.012 0.000 0.250 422 V C 1.799 177.882 176.094 -0.018 0.000 1.058 422 V CA 1.524 63.816 62.300 -0.013 0.000 1.064 422 V CB -0.473 31.346 31.823 -0.007 0.000 0.675 422 V HN 0.227 nan 8.190 nan 0.000 0.461 423 D N 0.341 120.726 120.400 -0.024 0.000 2.183 423 D HA -0.155 4.478 4.640 -0.012 0.000 0.203 423 D C 2.339 178.614 176.300 -0.041 0.000 0.969 423 D CA 1.241 55.227 54.000 -0.023 0.000 0.842 423 D CB -0.197 40.590 40.800 -0.022 0.000 0.957 423 D HN 0.421 nan 8.370 nan 0.000 0.484 424 R N -0.116 120.336 120.500 -0.081 0.000 2.081 424 R HA -0.100 4.233 4.340 -0.012 0.000 0.235 424 R C 2.281 178.518 176.300 -0.105 0.000 1.131 424 R CA 0.937 56.954 56.100 -0.139 0.000 0.960 424 R CB -0.275 29.879 30.300 -0.244 0.000 0.856 424 R HN 0.258 nan 8.270 nan 0.000 0.436 425 L N 0.596 121.780 121.223 -0.065 0.000 2.012 425 L HA -0.233 4.099 4.340 -0.012 0.000 0.210 425 L C 2.687 179.565 176.870 0.014 0.000 1.073 425 L CA 1.969 56.791 54.840 -0.031 0.000 0.748 425 L CB -0.523 41.526 42.059 -0.016 0.000 0.891 425 L HN 0.296 nan 8.230 nan 0.000 0.431 426 R N 0.096 120.608 120.500 0.020 0.000 2.115 426 R HA -0.090 4.243 4.340 -0.012 0.000 0.226 426 R C 2.151 178.505 176.300 0.089 0.000 1.100 426 R CA 0.977 57.110 56.100 0.055 0.000 0.980 426 R CB -0.521 29.804 30.300 0.042 0.000 0.875 426 R HN 0.193 nan 8.270 nan 0.000 0.445 427 R N 0.101 120.637 120.500 0.061 0.000 2.092 427 R HA 0.107 4.440 4.340 -0.012 0.000 0.231 427 R C 2.028 178.428 176.300 0.166 0.000 1.119 427 R CA 1.780 57.943 56.100 0.105 0.000 0.970 427 R CB -0.191 30.132 30.300 0.038 0.000 0.864 427 R HN 0.326 nan 8.270 nan 0.000 0.440 428 M N 0.118 119.740 119.600 0.037 0.000 2.509 428 M HA 0.047 4.519 4.480 -0.012 0.000 0.250 428 M C 0.842 177.302 176.300 0.267 0.000 1.132 428 M CA 0.002 55.273 55.300 -0.049 0.000 1.080 428 M CB 0.470 32.881 32.600 -0.315 0.000 1.408 428 M HN -0.078 nan 8.290 nan 0.000 0.484 429 S N 1.065 116.932 115.700 0.278 0.000 2.558 429 S HA 0.070 4.533 4.470 -0.012 0.000 0.288 429 S C 1.173 176.023 174.600 0.417 0.000 1.318 429 S CA -0.280 58.105 58.200 0.309 0.000 1.056 429 S CB 0.586 63.910 63.200 0.207 0.000 0.853 429 S HN 0.364 nan 8.310 nan 0.000 0.505 430 L N 4.005 125.426 121.223 0.329 0.000 2.291 430 L HA 0.078 4.410 4.340 -0.012 0.000 0.214 430 L C 0.352 177.329 176.870 0.179 0.000 1.120 430 L CA 0.395 55.388 54.840 0.255 0.000 0.799 430 L CB -0.453 41.702 42.059 0.160 0.000 0.925 430 L HN 0.407 nan 8.230 nan 0.000 0.446 431 V N 0.875 120.905 119.914 0.195 0.000 2.383 431 V HA 0.164 4.277 4.120 -0.012 0.000 0.275 431 V C 0.040 176.219 176.094 0.143 0.000 1.036 431 V CA -0.579 61.824 62.300 0.172 0.000 0.889 431 V CB 1.329 33.285 31.823 0.223 0.000 0.985 431 V HN 0.179 nan 8.190 nan 0.000 0.459 432 E N 3.426 123.690 120.200 0.107 0.000 2.174 432 E HA 0.430 4.773 4.350 -0.012 0.000 0.282 432 E C -0.750 175.900 176.600 0.083 0.000 0.992 432 E CA -0.545 55.908 56.400 0.088 0.000 0.803 432 E CB 1.936 31.668 29.700 0.054 0.000 1.090 432 E HN 0.629 nan 8.360 nan 0.000 0.396 433 E N 0.898 121.143 120.200 0.076 0.000 2.318 433 E HA 0.632 4.975 4.350 -0.012 0.000 0.265 433 E C 0.097 176.732 176.600 0.057 0.000 1.069 433 E CA 0.163 56.603 56.400 0.066 0.000 0.893 433 E CB 1.599 31.332 29.700 0.055 0.000 1.076 433 E HN 0.634 nan 8.360 nan 0.000 0.414 434 G N -0.085 108.748 108.800 0.055 0.000 2.404 434 G HA2 0.298 4.250 3.960 -0.012 0.000 0.253 434 G HA3 0.298 4.250 3.960 -0.012 0.000 0.253 434 G C 0.306 175.236 174.900 0.051 0.000 1.253 434 G CA -0.006 45.123 45.100 0.049 0.000 0.917 434 G HN 0.545 nan 8.290 nan 0.000 0.480 435 A N -0.876 121.973 122.820 0.049 0.000 1.849 435 A HA 0.306 4.618 4.320 -0.012 0.000 0.217 435 A C 1.610 179.233 177.584 0.066 0.000 1.202 435 A CA 3.542 55.608 52.037 0.049 0.000 0.629 435 A CB -1.249 17.778 19.000 0.045 0.000 0.834 435 A HN 2.226 nan 8.150 nan 0.000 0.447 436 V N -2.932 117.032 119.914 0.085 0.000 2.459 436 V HA 0.525 4.638 4.120 -0.012 0.000 0.295 436 V C -0.491 175.672 176.094 0.116 0.000 1.029 436 V CA -1.408 60.965 62.300 0.122 0.000 0.874 436 V CB 1.432 33.359 31.823 0.175 0.000 0.985 436 V HN 0.318 nan 8.190 nan 0.000 0.438 437 K N 4.119 124.595 120.400 0.127 0.000 2.401 437 K HA 0.470 4.783 4.320 -0.012 0.000 0.278 437 K C -0.345 176.325 176.600 0.117 0.000 1.018 437 K CA -0.129 56.229 56.287 0.119 0.000 0.981 437 K CB 0.860 33.441 32.500 0.135 0.000 0.933 437 K HN 0.732 nan 8.250 nan 0.000 0.477 438 R N 1.630 122.187 120.500 0.096 0.000 2.837 438 R HA 0.470 4.803 4.340 -0.012 0.000 0.271 438 R C -0.564 175.776 176.300 0.068 0.000 0.993 438 R CA -1.024 55.122 56.100 0.077 0.000 0.931 438 R CB 1.340 31.666 30.300 0.043 0.000 1.206 438 R HN 0.380 nan 8.270 nan 0.000 0.474 439 I N 1.999 122.607 120.570 0.062 0.000 2.321 439 I HA 0.147 4.310 4.170 -0.012 0.000 0.291 439 I C -0.077 176.029 176.117 -0.018 0.000 0.998 439 I CA -0.688 60.636 61.300 0.040 0.000 1.227 439 I CB 1.030 39.051 38.000 0.036 0.000 1.368 439 I HN 0.493 nan 8.210 nan 0.000 0.466 440 N N 7.150 125.808 118.700 -0.070 0.000 2.402 440 N HA 0.096 4.829 4.740 -0.012 0.000 0.252 440 N C 0.790 176.204 175.510 -0.159 0.000 1.118 440 N CA -0.309 52.619 53.050 -0.203 0.000 0.945 440 N CB 0.982 39.200 38.487 -0.448 0.000 1.147 440 N HN 0.383 nan 8.380 nan 0.000 0.495 441 M N 2.415 121.925 119.600 -0.151 0.000 2.296 441 M HA -0.038 4.435 4.480 -0.012 0.000 0.265 441 M C 1.907 178.073 176.300 -0.223 0.000 1.064 441 M CA 0.631 55.860 55.300 -0.118 0.000 1.109 441 M CB -1.502 31.074 32.600 -0.041 0.000 1.396 441 M HN 0.600 nan 8.290 nan 0.000 0.430 442 A N -0.374 122.313 122.820 -0.221 0.000 1.898 442 A HA -0.169 4.144 4.320 -0.012 0.000 0.216 442 A C 1.989 179.351 177.584 -0.370 0.000 1.181 442 A CA 1.438 53.307 52.037 -0.279 0.000 0.620 442 A CB -1.111 17.941 19.000 0.086 0.000 0.819 442 A HN 0.586 nan 8.150 nan 0.000 0.442 443 H N -1.031 117.825 119.070 -0.358 0.000 2.353 443 H HA -0.039 4.509 4.556 -0.012 0.000 0.300 443 H C 2.129 177.238 175.328 -0.365 0.000 1.090 443 H CA 0.977 56.782 56.048 -0.406 0.000 1.327 443 H CB -0.076 29.661 29.762 -0.042 0.000 1.383 443 H HN 0.363 nan 8.280 nan 0.000 0.508 444 L N 0.404 121.548 121.223 -0.131 0.000 2.012 444 L HA -0.241 4.091 4.340 -0.012 0.000 0.210 444 L C 2.320 179.055 176.870 -0.225 0.000 1.073 444 L CA 1.332 56.090 54.840 -0.135 0.000 0.748 444 L CB -0.384 41.622 42.059 -0.087 0.000 0.891 444 L HN 0.454 nan 8.230 nan 0.000 0.431 445 C N -0.086 118.973 119.300 -0.403 0.000 2.429 445 C HA -0.167 4.286 4.460 -0.012 0.000 0.277 445 C C 2.650 177.371 174.990 -0.449 0.000 1.262 445 C CA 0.566 59.255 59.018 -0.549 0.000 1.733 445 C CB -0.733 26.274 27.740 -1.222 0.000 2.010 445 C HN 0.505 nan 8.230 nan 0.000 0.483 446 I N 1.449 121.710 120.570 -0.515 0.000 2.179 446 I HA -0.194 3.969 4.170 -0.012 0.000 0.242 446 I C 2.769 178.745 176.117 -0.234 0.000 1.088 446 I CA 1.622 62.677 61.300 -0.408 0.000 1.357 446 I CB -0.597 37.014 38.000 -0.648 0.000 1.051 446 I HN 0.259 nan 8.210 nan 0.000 0.409 447 A N 0.588 123.239 122.820 -0.282 0.000 1.908 447 A HA -0.138 4.174 4.320 -0.012 0.000 0.218 447 A C 2.195 179.840 177.584 0.102 0.000 1.181 447 A CA 2.025 53.943 52.037 -0.198 0.000 0.627 447 A CB -1.200 17.504 19.000 -0.494 0.000 0.818 447 A HN 0.493 nan 8.150 nan 0.000 0.445 448 G N -1.298 107.493 108.800 -0.014 0.000 3.434 448 G HA2 0.433 4.386 3.960 -0.012 0.000 0.258 448 G HA3 0.433 4.386 3.960 -0.012 0.000 0.258 448 G C 0.037 174.776 174.900 -0.268 0.000 1.128 448 G CA 0.481 45.449 45.100 -0.220 0.000 0.792 448 G HN 0.340 nan 8.290 nan 0.000 0.539 449 S N -0.326 115.273 115.700 -0.168 0.000 2.536 449 S HA 0.320 4.783 4.470 -0.012 0.000 0.298 449 S C 0.757 175.306 174.600 -0.084 0.000 1.083 449 S CA -0.714 57.409 58.200 -0.127 0.000 0.995 449 S CB 1.297 64.427 63.200 -0.118 0.000 1.058 449 S HN 0.500 nan 8.310 nan 0.000 0.488 450 H N -0.007 119.030 119.070 -0.055 0.000 2.551 450 H HA 0.472 5.020 4.556 -0.012 0.000 0.266 450 H C 0.155 175.479 175.328 -0.007 0.000 0.964 450 H CA 0.323 56.367 56.048 -0.007 0.000 1.180 450 H CB 0.161 29.930 29.762 0.011 0.000 1.408 450 H HN 0.510 nan 8.280 nan 0.000 0.563 451 A N 1.030 123.547 122.820 -0.505 0.000 2.455 451 A HA 0.562 4.875 4.320 -0.012 0.000 0.300 451 A C -1.394 175.993 177.584 -0.328 0.000 1.040 451 A CA -0.581 51.226 52.037 -0.384 0.000 0.697 451 A CB 2.298 21.045 19.000 -0.421 0.000 1.265 451 A HN 0.099 nan 8.150 nan 0.000 0.407 452 V N 4.117 123.803 119.914 -0.379 0.000 2.577 452 V HA 0.531 4.644 4.120 -0.012 0.000 0.303 452 V C -0.779 175.118 176.094 -0.329 0.000 1.042 452 V CA -0.779 61.277 62.300 -0.407 0.000 0.872 452 V CB 1.799 33.215 31.823 -0.678 0.000 0.998 452 V HN 1.019 nan 8.190 nan 0.000 0.423 453 N N 3.126 121.657 118.700 -0.282 0.000 2.229 453 N HA 0.625 5.357 4.740 -0.012 0.000 0.298 453 N C -0.266 175.143 175.510 -0.169 0.000 1.114 453 N CA -0.367 52.565 53.050 -0.197 0.000 0.776 453 N CB 2.903 41.254 38.487 -0.227 0.000 1.501 453 N HN 0.636 nan 8.380 nan 0.000 0.474 454 G N -0.801 107.944 108.800 -0.092 0.000 2.531 454 G HA2 0.433 4.385 3.960 -0.012 0.000 0.313 454 G HA3 0.433 4.385 3.960 -0.012 0.000 0.313 454 G C 0.730 175.696 174.900 0.109 0.000 1.238 454 G CA -0.450 44.665 45.100 0.024 0.000 0.994 454 G HN 0.646 nan 8.290 nan 0.000 0.493 455 V N -3.935 116.150 119.914 0.286 0.000 3.427 455 V HA 0.702 4.815 4.120 -0.012 0.000 0.305 455 V C 0.545 176.712 176.094 0.122 0.000 1.412 455 V CA 0.441 62.813 62.300 0.121 0.000 1.086 455 V CB -0.665 31.174 31.823 0.027 0.000 0.964 455 V HN 1.348 nan 8.190 nan 0.000 0.439 456 A N -0.022 122.887 122.820 0.147 0.000 2.605 456 A HA 0.646 4.958 4.320 -0.012 0.000 0.294 456 A C 0.689 178.324 177.584 0.086 0.000 1.062 456 A CA -0.093 52.008 52.037 0.108 0.000 0.682 456 A CB 1.213 20.265 19.000 0.087 0.000 1.278 456 A HN 0.029 nan 8.150 nan 0.000 0.410 457 R N 0.742 121.271 120.500 0.049 0.000 2.096 457 R HA -0.156 4.177 4.340 -0.012 0.000 0.240 457 R C 1.657 177.958 176.300 0.001 0.000 1.139 457 R CA 2.280 58.387 56.100 0.012 0.000 0.952 457 R CB -0.250 30.052 30.300 0.002 0.000 0.854 457 R HN 0.817 nan 8.270 nan 0.000 0.436 458 I N 0.243 120.823 120.570 0.016 0.000 2.286 458 I HA -0.302 3.861 4.170 -0.012 0.000 0.248 458 I C 2.344 178.471 176.117 0.018 0.000 1.115 458 I CA 1.898 63.200 61.300 0.003 0.000 1.392 458 I CB -0.205 37.796 38.000 0.001 0.000 1.065 458 I HN 0.355 nan 8.210 nan 0.000 0.418 459 H N 0.108 119.151 119.070 -0.045 0.000 2.326 459 H HA -0.104 4.445 4.556 -0.012 0.000 0.301 459 H C 2.279 177.575 175.328 -0.053 0.000 1.081 459 H CA 2.144 58.160 56.048 -0.053 0.000 1.334 459 H CB -0.242 29.494 29.762 -0.044 0.000 1.385 459 H HN 0.221 nan 8.280 nan 0.000 0.504 460 S N 0.404 115.992 115.700 -0.186 0.000 2.382 460 S HA -0.136 4.327 4.470 -0.012 0.000 0.228 460 S C 1.875 176.363 174.600 -0.187 0.000 1.027 460 S CA 1.268 59.343 58.200 -0.208 0.000 0.991 460 S CB -0.093 63.055 63.200 -0.086 0.000 0.823 460 S HN 0.494 nan 8.310 nan 0.000 0.469 461 E N 1.129 121.238 120.200 -0.151 0.000 2.072 461 E HA -0.001 4.342 4.350 -0.012 0.000 0.191 461 E C 2.035 178.524 176.600 -0.185 0.000 0.985 461 E CA 0.620 56.920 56.400 -0.165 0.000 0.801 461 E CB -0.385 29.247 29.700 -0.113 0.000 0.750 461 E HN 0.508 nan 8.360 nan 0.000 0.452 462 I N 1.063 121.535 120.570 -0.163 0.000 2.264 462 I HA -0.285 3.878 4.170 -0.012 0.000 0.248 462 I C 2.415 178.405 176.117 -0.212 0.000 1.111 462 I CA 0.855 62.060 61.300 -0.158 0.000 1.382 462 I CB -0.260 37.676 38.000 -0.106 0.000 1.060 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.392 121.452 121.223 -0.271 0.000 2.042 463 L HA -0.235 4.098 4.340 -0.012 0.000 0.210 463 L C 2.461 179.226 176.870 -0.176 0.000 1.076 463 L CA 1.606 56.307 54.840 -0.233 0.000 0.749 463 L CB -0.587 41.411 42.059 -0.102 0.000 0.893 463 L HN 0.223 nan 8.230 nan 0.000 0.432 464 K N -0.068 120.153 120.400 -0.297 0.000 2.228 464 K HA -0.091 4.222 4.320 -0.012 0.000 0.202 464 K C 1.954 178.351 176.600 -0.338 0.000 1.051 464 K CA 0.831 56.801 56.287 -0.529 0.000 0.960 464 K CB 0.092 32.027 32.500 -0.942 0.000 0.743 464 K HN 0.305 nan 8.250 nan 0.000 0.458 465 K N -0.012 120.250 120.400 -0.230 0.000 2.284 465 K HA -0.009 4.303 4.320 -0.012 0.000 0.198 465 K C 1.880 178.425 176.600 -0.092 0.000 1.048 465 K CA 1.268 57.470 56.287 -0.141 0.000 0.987 465 K CB 0.522 32.948 32.500 -0.122 0.000 0.800 465 K HN 0.225 nan 8.250 nan 0.000 0.486 466 T N -1.134 113.357 114.554 -0.106 0.000 3.257 466 T HA 0.068 4.410 4.350 -0.012 0.000 0.176 466 T C 1.917 176.574 174.700 -0.072 0.000 0.892 466 T CA -0.032 62.019 62.100 -0.082 0.000 1.147 466 T CB -0.745 68.067 68.868 -0.093 0.000 1.840 466 T HN 0.103 nan 8.240 nan 0.000 0.375 467 I N -0.916 119.550 120.570 -0.173 0.000 2.361 467 I HA 0.206 4.369 4.170 -0.012 0.000 0.251 467 I C 1.450 177.554 176.117 -0.021 0.000 1.133 467 I CA 1.387 62.560 61.300 -0.211 0.000 1.413 467 I CB -0.604 37.117 38.000 -0.464 0.000 1.073 467 I HN 0.271 nan 8.210 nan 0.000 0.424 468 F N 0.826 120.850 119.950 0.124 0.000 2.708 468 F HA 0.331 4.851 4.527 -0.012 0.000 0.300 468 F C 2.014 177.910 175.800 0.160 0.000 1.118 468 F CA -0.647 57.494 58.000 0.235 0.000 1.307 468 F CB 0.159 39.309 39.000 0.250 0.000 0.986 468 F HN -0.079 nan 8.300 nan 0.000 0.522 469 K N 1.089 121.610 120.400 0.202 0.000 2.044 469 K HA -0.216 4.097 4.320 -0.012 0.000 0.210 469 K C 1.356 178.017 176.600 0.103 0.000 1.049 469 K CA 2.184 58.527 56.287 0.093 0.000 0.927 469 K CB -0.018 32.501 32.500 0.031 0.000 0.713 469 K HN 0.149 nan 8.250 nan 0.000 0.443 470 D N -0.170 120.275 120.400 0.074 0.000 2.149 470 D HA -0.161 4.472 4.640 -0.012 0.000 0.198 470 D C 1.799 178.024 176.300 -0.125 0.000 0.990 470 D CA 1.241 55.159 54.000 -0.137 0.000 0.839 470 D CB -0.251 40.376 40.800 -0.289 0.000 0.948 470 D HN 0.254 nan 8.370 nan 0.000 0.460 471 F N -0.262 119.761 119.950 0.123 0.000 2.206 471 F HA -0.122 4.398 4.527 -0.012 0.000 0.298 471 F C 2.336 178.268 175.800 0.220 0.000 1.090 471 F CA 0.433 58.579 58.000 0.244 0.000 1.323 471 F CB -0.638 38.573 39.000 0.353 0.000 1.028 471 F HN -0.047 nan 8.300 nan 0.000 0.492 472 Y N 1.408 121.665 120.300 -0.071 0.000 2.224 472 Y HA -0.211 4.332 4.550 -0.012 0.000 0.289 472 Y C 2.118 177.984 175.900 -0.055 0.000 1.146 472 Y CA 1.669 59.530 58.100 -0.398 0.000 1.182 472 Y CB -0.572 37.469 38.460 -0.699 0.000 0.983 472 Y HN 0.132 nan 8.280 nan 0.000 0.524 473 E N -0.431 119.729 120.200 -0.067 0.000 2.106 473 E HA -0.193 4.150 4.350 -0.012 0.000 0.192 473 E C 1.989 178.652 176.600 0.104 0.000 0.984 473 E CA 1.191 57.566 56.400 -0.041 0.000 0.806 473 E CB -0.253 29.460 29.700 0.022 0.000 0.750 473 E HN 0.437 nan 8.360 nan 0.000 0.458 474 L N 0.921 122.243 121.223 0.165 0.000 2.068 474 L HA -0.047 4.286 4.340 -0.012 0.000 0.204 474 L C 0.257 177.205 176.870 0.129 0.000 1.076 474 L CA 1.670 56.637 54.840 0.212 0.000 0.753 474 L CB 0.383 42.566 42.059 0.207 0.000 0.910 474 L HN -0.107 nan 8.230 nan 0.000 0.439 475 E N -0.161 120.109 120.200 0.118 0.000 3.386 475 E HA 0.182 4.525 4.350 -0.012 0.000 0.236 475 E C -1.991 174.537 176.600 -0.119 0.000 1.227 475 E CA -1.253 55.131 56.400 -0.027 0.000 0.970 475 E CB 0.800 30.497 29.700 -0.006 0.000 1.343 475 E HN 0.206 nan 8.360 nan 0.000 0.397 476 P HA -0.237 nan 4.420 nan 0.000 0.218 476 P C 1.201 178.564 177.300 0.104 0.000 1.149 476 P CA 1.343 64.312 63.100 -0.219 0.000 0.817 476 P CB -0.054 31.411 31.700 -0.392 0.000 0.785 477 H N 0.027 119.189 119.070 0.153 0.000 2.489 477 H HA 0.031 4.580 4.556 -0.012 0.000 0.293 477 H C 1.727 177.150 175.328 0.158 0.000 1.066 477 H CA 0.907 57.041 56.048 0.143 0.000 1.305 477 H CB -0.592 29.227 29.762 0.095 0.000 1.386 477 H HN 0.154 nan 8.280 nan 0.000 0.551 478 K N 0.281 120.596 120.400 -0.142 0.000 2.217 478 K HA 0.029 4.342 4.320 -0.012 0.000 0.202 478 K C -0.222 176.275 176.600 -0.172 0.000 1.051 478 K CA 0.140 56.336 56.287 -0.151 0.000 0.952 478 K CB 0.136 32.446 32.500 -0.317 0.000 0.736 478 K HN 0.056 nan 8.250 nan 0.000 0.453 479 F N 1.486 121.468 119.950 0.053 0.000 2.411 479 F HA 0.244 4.763 4.527 -0.012 0.000 0.350 479 F C 0.251 176.064 175.800 0.021 0.000 1.114 479 F CA -0.315 57.724 58.000 0.064 0.000 1.135 479 F CB 1.292 40.395 39.000 0.172 0.000 1.120 479 F HN -0.068 nan 8.300 nan 0.000 0.495 480 Q N 1.839 121.679 119.800 0.066 0.000 2.544 480 Q HA 0.335 4.668 4.340 -0.012 0.000 0.291 480 Q C -1.202 174.765 176.000 -0.055 0.000 1.068 480 Q CA -1.240 54.553 55.803 -0.017 0.000 0.785 480 Q CB 3.169 31.843 28.738 -0.107 0.000 1.481 480 Q HN 0.613 nan 8.270 nan 0.000 0.430 481 N N 0.830 119.480 118.700 -0.083 0.000 2.314 481 N HA 0.273 5.006 4.740 -0.012 0.000 0.304 481 N C -1.415 173.999 175.510 -0.160 0.000 1.073 481 N CA -0.387 52.608 53.050 -0.092 0.000 0.822 481 N CB 0.966 39.422 38.487 -0.053 0.000 1.280 481 N HN 0.281 nan 8.380 nan 0.000 0.489 482 K N 2.759 123.063 120.400 -0.158 0.000 2.675 482 K HA 0.184 4.497 4.320 -0.012 0.000 0.224 482 K C -0.938 175.665 176.600 0.005 0.000 1.003 482 K CA -0.494 55.673 56.287 -0.200 0.000 1.034 482 K CB 1.252 33.406 32.500 -0.576 0.000 1.218 482 K HN 0.536 nan 8.250 nan 0.000 0.507 483 T N 2.112 116.688 114.554 0.037 0.000 2.902 483 T HA 0.051 4.394 4.350 -0.012 0.000 0.301 483 T C 0.793 175.618 174.700 0.208 0.000 1.012 483 T CA 0.340 62.513 62.100 0.122 0.000 1.151 483 T CB 0.272 69.213 68.868 0.121 0.000 0.946 483 T HN 0.360 nan 8.240 nan 0.000 0.542 484 N N 0.631 119.475 118.700 0.241 0.000 2.267 484 N HA 0.389 5.122 4.740 -0.012 0.000 0.226 484 N C 0.487 176.184 175.510 0.311 0.000 1.314 484 N CA -0.126 53.100 53.050 0.294 0.000 0.887 484 N CB 0.380 38.978 38.487 0.185 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.640 108.354 108.800 0.323 0.000 2.687 485 G HA2 0.611 4.563 3.960 -0.012 0.000 0.291 485 G HA3 0.611 4.563 3.960 -0.012 0.000 0.291 485 G C -1.400 173.632 174.900 0.219 0.000 1.420 485 G CA -0.741 44.532 45.100 0.288 0.000 0.796 485 G HN 0.599 nan 8.290 nan 0.000 0.485 486 I N -2.389 118.294 120.570 0.190 0.000 2.828 486 I HA 0.741 4.904 4.170 -0.012 0.000 0.302 486 I C -0.221 176.050 176.117 0.257 0.000 1.101 486 I CA -0.945 60.459 61.300 0.172 0.000 1.031 486 I CB 2.449 40.440 38.000 -0.014 0.000 1.231 486 I HN 0.485 nan 8.210 nan 0.000 0.427 487 T N 4.233 118.995 114.554 0.347 0.000 2.814 487 T HA 0.355 4.697 4.350 -0.012 0.000 0.297 487 T C -1.474 173.347 174.700 0.201 0.000 0.956 487 T CA -1.559 60.672 62.100 0.220 0.000 1.123 487 T CB 0.745 69.688 68.868 0.125 0.000 0.902 487 T HN 0.626 nan 8.240 nan 0.000 0.528 488 P HA 0.074 nan 4.420 nan 0.000 0.237 488 P C 1.101 178.370 177.300 -0.052 0.000 1.178 488 P CA 0.273 63.412 63.100 0.064 0.000 0.766 488 P CB 0.344 32.068 31.700 0.039 0.000 0.876 489 R N 0.419 120.842 120.500 -0.129 0.000 2.064 489 R HA 0.009 4.341 4.340 -0.012 0.000 0.228 489 R C 2.661 178.840 176.300 -0.201 0.000 1.144 489 R CA 1.538 57.519 56.100 -0.198 0.000 0.932 489 R CB -1.184 29.001 30.300 -0.192 0.000 0.833 489 R HN 0.033 nan 8.270 nan 0.000 0.429 490 R N -0.845 119.479 120.500 -0.292 0.000 2.081 490 R HA -0.129 4.203 4.340 -0.012 0.000 0.235 490 R C 1.063 177.010 176.300 -0.588 0.000 1.131 490 R CA 1.723 57.486 56.100 -0.562 0.000 0.960 490 R CB -0.156 29.605 30.300 -0.899 0.000 0.856 490 R HN 0.303 nan 8.270 nan 0.000 0.436 491 W N -0.520 120.735 121.300 -0.075 0.000 3.353 491 W HA 0.170 4.823 4.660 -0.013 0.000 0.304 491 W C 0.966 177.452 176.519 -0.055 0.000 1.273 491 W CA -0.688 56.612 57.345 -0.076 0.000 1.773 491 W CB 0.461 29.880 29.460 -0.068 0.000 1.095 491 W HN 0.213 nan 8.180 nan 0.000 0.676 492 L N -2.221 119.054 121.223 0.087 0.000 2.511 492 L HA 0.192 4.525 4.340 -0.012 0.000 0.173 492 L C 1.750 178.632 176.870 0.019 0.000 1.160 492 L CA 0.792 55.677 54.840 0.075 0.000 0.964 492 L CB -0.802 41.329 42.059 0.120 0.000 1.892 492 L HN -0.246 nan 8.230 nan 0.000 0.497 493 V N 0.988 120.890 119.914 -0.020 0.000 2.295 493 V HA -0.255 3.858 4.120 -0.012 0.000 0.246 493 V C 2.426 178.488 176.094 -0.054 0.000 1.049 493 V CA 2.394 64.673 62.300 -0.035 0.000 1.024 493 V CB -0.644 31.129 31.823 -0.083 0.000 0.648 493 V HN 0.499 nan 8.190 nan 0.000 0.447 494 L N 0.575 121.736 121.223 -0.103 0.000 2.005 494 L HA -0.194 4.139 4.340 -0.012 0.000 0.207 494 L C 2.511 179.312 176.870 -0.115 0.000 1.072 494 L CA 2.471 57.234 54.840 -0.129 0.000 0.744 494 L CB -0.303 41.628 42.059 -0.213 0.000 0.895 494 L HN 0.647 nan 8.230 nan 0.000 0.433 495 C N -1.685 117.541 119.300 -0.123 0.000 2.563 495 C HA 0.198 4.651 4.460 -0.012 0.000 0.268 495 C C 1.184 176.151 174.990 -0.039 0.000 1.365 495 C CA -0.234 58.728 59.018 -0.092 0.000 1.754 495 C CB -1.062 26.624 27.740 -0.090 0.000 1.932 495 C HN 0.619 nan 8.230 nan 0.000 0.536 496 N N 1.009 119.698 118.700 -0.019 0.000 2.687 496 N HA 0.275 5.007 4.740 -0.012 0.000 0.275 496 N C -1.803 173.714 175.510 0.011 0.000 1.789 496 N CA -1.504 51.547 53.050 0.001 0.000 0.806 496 N CB 0.732 39.229 38.487 0.016 0.000 1.256 496 N HN 0.227 nan 8.380 nan 0.000 0.500 497 P HA -0.037 nan 4.420 nan 0.000 0.218 497 P C 1.403 178.715 177.300 0.020 0.000 1.149 497 P CA 0.891 63.998 63.100 0.011 0.000 0.817 497 P CB 0.238 31.937 31.700 -0.001 0.000 0.785 498 G N 0.678 109.484 108.800 0.010 0.000 2.446 498 G HA2 -0.250 3.703 3.960 -0.012 0.000 0.217 498 G HA3 -0.250 3.703 3.960 -0.012 0.000 0.217 498 G C 1.525 176.429 174.900 0.007 0.000 1.168 498 G CA 0.679 45.782 45.100 0.005 0.000 0.771 498 G HN 0.244 nan 8.290 nan 0.000 0.551 499 L N 1.304 122.532 121.223 0.009 0.000 2.056 499 L HA 0.244 4.577 4.340 -0.012 0.000 0.207 499 L C 3.085 179.983 176.870 0.046 0.000 1.078 499 L CA 2.020 56.866 54.840 0.009 0.000 0.749 499 L CB -0.789 41.276 42.059 0.010 0.000 0.901 499 L HN 0.234 nan 8.230 nan 0.000 0.433 500 A N -0.754 122.115 122.820 0.082 0.000 1.940 500 A HA -0.277 4.036 4.320 -0.012 0.000 0.219 500 A C 2.256 179.938 177.584 0.163 0.000 1.176 500 A CA 1.932 54.071 52.037 0.170 0.000 0.631 500 A CB -0.684 18.404 19.000 0.148 0.000 0.814 500 A HN 0.556 nan 8.150 nan 0.000 0.446 501 E N 0.539 120.793 120.200 0.091 0.000 2.046 501 E HA -0.141 4.202 4.350 -0.012 0.000 0.190 501 E C 1.840 178.479 176.600 0.064 0.000 0.982 501 E CA 1.487 57.931 56.400 0.073 0.000 0.800 501 E CB -0.503 29.221 29.700 0.041 0.000 0.756 501 E HN 0.743 nan 8.360 nan 0.000 0.449 502 I N -1.657 118.943 120.570 0.050 0.000 2.361 502 I HA -0.140 4.023 4.170 -0.012 0.000 0.251 502 I C 2.110 178.297 176.117 0.116 0.000 1.133 502 I CA 1.099 62.438 61.300 0.065 0.000 1.413 502 I CB -0.352 37.658 38.000 0.016 0.000 1.073 502 I HN 0.021 nan 8.210 nan 0.000 0.424 503 I N 1.963 122.578 120.570 0.074 0.000 2.202 503 I HA -0.184 3.978 4.170 -0.012 0.000 0.242 503 I C 3.029 179.105 176.117 -0.068 0.000 1.091 503 I CA 1.330 62.602 61.300 -0.048 0.000 1.368 503 I CB -0.516 37.330 38.000 -0.256 0.000 1.058 503 I HN 0.290 nan 8.210 nan 0.000 0.410 504 A N 0.485 123.359 122.820 0.090 0.000 1.940 504 A HA -0.246 4.066 4.320 -0.012 0.000 0.219 504 A C 2.166 179.787 177.584 0.062 0.000 1.176 504 A CA 1.760 53.901 52.037 0.172 0.000 0.631 504 A CB -0.651 18.474 19.000 0.208 0.000 0.814 504 A HN 0.464 nan 8.150 nan 0.000 0.446 505 E N -0.820 119.397 120.200 0.028 0.000 2.160 505 E HA -0.208 4.134 4.350 -0.012 0.000 0.195 505 E C 2.216 178.789 176.600 -0.046 0.000 0.991 505 E CA 1.142 57.544 56.400 0.002 0.000 0.810 505 E CB -0.060 29.646 29.700 0.010 0.000 0.742 505 E HN 0.425 nan 8.360 nan 0.000 0.466 506 R N 0.105 120.523 120.500 -0.135 0.000 2.105 506 R HA 0.080 4.413 4.340 -0.012 0.000 0.214 506 R C 2.293 178.517 176.300 -0.126 0.000 1.091 506 R CA 0.855 56.800 56.100 -0.260 0.000 1.007 506 R CB -0.301 29.525 30.300 -0.790 0.000 0.912 506 R HN 0.337 nan 8.270 nan 0.000 0.450 507 I N -3.169 117.342 120.570 -0.097 0.000 4.081 507 I HA 0.451 4.613 4.170 -0.012 0.000 0.333 507 I C 0.440 176.599 176.117 0.070 0.000 1.413 507 I CA 0.081 61.375 61.300 -0.010 0.000 1.110 507 I CB 0.757 38.732 38.000 -0.041 0.000 1.082 507 I HN 0.167 nan 8.210 nan 0.000 0.402 508 G N 2.042 110.893 108.800 0.085 0.000 2.725 508 G HA2 -0.236 3.717 3.960 -0.012 0.000 0.220 508 G HA3 -0.236 3.717 3.960 -0.012 0.000 0.220 508 G C 0.021 175.046 174.900 0.208 0.000 1.357 508 G CA 0.269 45.438 45.100 0.115 0.000 0.866 508 G HN 0.447 nan 8.290 nan 0.000 0.548 509 E N -0.463 119.811 120.200 0.123 0.000 2.472 509 E HA 0.060 4.403 4.350 -0.012 0.000 0.196 509 E C 1.924 178.477 176.600 -0.078 0.000 1.033 509 E CA 0.015 56.432 56.400 0.029 0.000 0.886 509 E CB 0.188 29.896 29.700 0.014 0.000 0.944 509 E HN 0.449 nan 8.360 nan 0.000 0.492 510 E N 0.526 120.749 120.200 0.037 0.000 2.265 510 E HA -0.180 4.163 4.350 -0.012 0.000 0.196 510 E C 1.666 178.264 176.600 -0.004 0.000 0.996 510 E CA 0.800 57.214 56.400 0.023 0.000 0.832 510 E CB -0.004 29.731 29.700 0.058 0.000 0.756 510 E HN 0.511 nan 8.360 nan 0.000 0.491 511 Y N -1.149 119.156 120.300 0.008 0.000 2.403 511 Y HA -0.035 4.509 4.550 -0.011 0.000 0.291 511 Y C 1.954 177.832 175.900 -0.037 0.000 1.143 511 Y CA 0.607 58.703 58.100 -0.006 0.000 1.257 511 Y CB -0.744 37.715 38.460 -0.002 0.000 0.984 511 Y HN -0.086 nan 8.280 nan 0.000 0.550 512 I N 0.906 121.026 120.570 -0.750 0.000 2.454 512 I HA -0.220 3.942 4.170 -0.012 0.000 0.254 512 I C 1.702 177.565 176.117 -0.423 0.000 1.156 512 I CA 1.725 62.615 61.300 -0.682 0.000 1.433 512 I CB -0.350 37.153 38.000 -0.829 0.000 1.082 512 I HN 0.454 nan 8.210 nan 0.000 0.432 513 S N -2.061 113.498 115.700 -0.235 0.000 2.650 513 S HA 0.167 4.630 4.470 -0.012 0.000 0.240 513 S C 0.200 174.786 174.600 -0.024 0.000 1.007 513 S CA -0.449 57.692 58.200 -0.097 0.000 0.984 513 S CB 0.307 63.523 63.200 0.026 0.000 0.910 513 S HN 0.275 nan 8.310 nan 0.000 0.509 514 D N 0.695 121.090 120.400 -0.009 0.000 2.823 514 D HA 0.250 4.883 4.640 -0.012 0.000 0.255 514 D C 0.329 176.672 176.300 0.071 0.000 1.257 514 D CA -0.376 53.643 54.000 0.031 0.000 0.803 514 D CB 0.396 41.219 40.800 0.038 0.000 1.384 514 D HN 0.086 nan 8.370 nan 0.000 0.541 515 L N 1.155 122.420 121.223 0.070 0.000 2.353 515 L HA -0.009 4.324 4.340 -0.012 0.000 0.220 515 L C 1.428 178.349 176.870 0.085 0.000 1.133 515 L CA 1.484 56.394 54.840 0.116 0.000 0.798 515 L CB -0.052 42.069 42.059 0.104 0.000 0.922 515 L HN 0.253 nan 8.230 nan 0.000 0.445 516 D N -0.704 119.723 120.400 0.045 0.000 2.265 516 D HA -0.216 4.417 4.640 -0.012 0.000 0.208 516 D C 1.914 178.234 176.300 0.033 0.000 0.977 516 D CA 0.828 54.840 54.000 0.020 0.000 0.871 516 D CB 0.052 40.852 40.800 -0.000 0.000 0.925 516 D HN 0.552 nan 8.370 nan 0.000 0.485 517 Q N -0.082 119.755 119.800 0.062 0.000 2.364 517 Q HA -0.033 4.300 4.340 -0.012 0.000 0.207 517 Q C 2.254 178.272 176.000 0.030 0.000 0.970 517 Q CA 0.203 56.043 55.803 0.062 0.000 0.888 517 Q CB 0.048 28.851 28.738 0.109 0.000 0.951 517 Q HN 0.386 nan 8.270 nan 0.000 0.469 518 L N 0.154 121.388 121.223 0.018 0.000 2.261 518 L HA -0.190 4.143 4.340 -0.012 0.000 0.216 518 L C 2.242 179.105 176.870 -0.012 0.000 1.114 518 L CA 0.881 55.698 54.840 -0.038 0.000 0.777 518 L CB -0.352 41.695 42.059 -0.020 0.000 0.910 518 L HN 0.211 nan 8.230 nan 0.000 0.440 519 R N 0.314 120.817 120.500 0.005 0.000 2.159 519 R HA -0.179 4.154 4.340 -0.012 0.000 0.237 519 R C 2.073 178.376 176.300 0.005 0.000 1.131 519 R CA 1.034 57.138 56.100 0.007 0.000 0.982 519 R CB -0.204 30.098 30.300 0.002 0.000 0.868 519 R HN 0.405 nan 8.270 nan 0.000 0.453 520 K N 0.577 120.981 120.400 0.007 0.000 2.280 520 K HA -0.097 4.216 4.320 -0.012 0.000 0.202 520 K C 1.840 178.479 176.600 0.066 0.000 1.047 520 K CA 0.836 57.137 56.287 0.023 0.000 0.942 520 K CB -0.057 32.463 32.500 0.034 0.000 0.739 520 K HN 0.224 nan 8.250 nan 0.000 0.457 521 L N 0.512 121.755 121.223 0.034 0.000 2.376 521 L HA -0.136 4.197 4.340 -0.012 0.000 0.219 521 L C 1.829 178.749 176.870 0.084 0.000 1.133 521 L CA 0.054 54.922 54.840 0.047 0.000 0.816 521 L CB -0.264 41.776 42.059 -0.032 0.000 0.933 521 L HN 0.118 nan 8.230 nan 0.000 0.449 522 L N 0.143 121.389 121.223 0.039 0.000 2.127 522 L HA -0.192 4.140 4.340 -0.012 0.000 0.211 522 L C 2.739 179.590 176.870 -0.032 0.000 1.089 522 L CA 1.966 56.816 54.840 0.016 0.000 0.757 522 L CB -0.987 41.072 42.059 -0.001 0.000 0.899 522 L HN 0.375 nan 8.230 nan 0.000 0.434 523 S N -2.680 112.955 115.700 -0.109 0.000 2.607 523 S HA -0.094 4.369 4.470 -0.012 0.000 0.224 523 S C 1.296 175.621 174.600 -0.458 0.000 0.969 523 S CA 0.325 58.355 58.200 -0.283 0.000 0.927 523 S CB -0.515 62.458 63.200 -0.378 0.000 0.772 523 S HN 0.472 nan 8.310 nan 0.000 0.533 524 Y N -0.339 119.879 120.300 -0.136 0.000 2.531 524 Y HA 0.442 4.989 4.550 -0.004 0.000 0.249 524 Y C 1.928 177.844 175.900 0.027 0.000 1.168 524 Y CA -0.550 57.460 58.100 -0.150 0.000 1.226 524 Y CB 0.197 38.341 38.460 -0.526 0.000 1.177 524 Y HN 0.247 nan 8.280 nan 0.000 0.527 525 V N 0.395 120.389 119.914 0.133 0.000 2.720 525 V HA -0.201 3.911 4.120 -0.012 0.000 0.256 525 V C 0.918 177.079 176.094 0.112 0.000 1.082 525 V CA 2.172 64.557 62.300 0.142 0.000 1.101 525 V CB -0.011 31.860 31.823 0.079 0.000 0.693 525 V HN 0.341 nan 8.190 nan 0.000 0.479 526 D N -0.723 119.722 120.400 0.075 0.000 2.395 526 D HA 0.117 4.749 4.640 -0.012 0.000 0.213 526 D C 0.388 176.733 176.300 0.076 0.000 1.110 526 D CA -0.001 54.033 54.000 0.057 0.000 0.835 526 D CB 0.115 40.926 40.800 0.018 0.000 0.965 526 D HN 0.440 nan 8.370 nan 0.000 0.505 527 D N 1.409 121.888 120.400 0.132 0.000 2.325 527 D HA -0.019 4.614 4.640 -0.012 0.000 0.251 527 D C 1.092 177.499 176.300 0.178 0.000 1.196 527 D CA 0.007 54.108 54.000 0.168 0.000 0.866 527 D CB 1.690 42.660 40.800 0.284 0.000 1.101 527 D HN -0.176 nan 8.370 nan 0.000 0.476 528 E N 3.160 123.431 120.200 0.117 0.000 2.106 528 E HA -0.120 4.223 4.350 -0.012 0.000 0.192 528 E C 1.760 178.415 176.600 0.092 0.000 0.984 528 E CA 1.313 57.766 56.400 0.087 0.000 0.806 528 E CB 0.017 29.750 29.700 0.056 0.000 0.750 528 E HN 0.588 nan 8.360 nan 0.000 0.458 529 A N -0.268 122.621 122.820 0.115 0.000 1.898 529 A HA -0.139 4.173 4.320 -0.012 0.000 0.216 529 A C 2.189 179.853 177.584 0.133 0.000 1.181 529 A CA 1.286 53.387 52.037 0.106 0.000 0.620 529 A CB -0.920 18.145 19.000 0.109 0.000 0.819 529 A HN 0.444 nan 8.150 nan 0.000 0.442 530 F N 0.401 120.368 119.950 0.028 0.000 2.146 530 F HA -0.135 4.386 4.527 -0.011 0.000 0.298 530 F C 2.032 177.839 175.800 0.010 0.000 1.096 530 F CA 1.609 59.611 58.000 0.003 0.000 1.275 530 F CB -0.117 38.894 39.000 0.018 0.000 1.008 530 F HN 0.161 nan 8.300 nan 0.000 0.480 531 I N 0.125 120.730 120.570 0.059 0.000 2.151 531 I HA -0.364 3.798 4.170 -0.012 0.000 0.243 531 I C 2.586 178.652 176.117 -0.085 0.000 1.080 531 I CA 1.666 62.949 61.300 -0.029 0.000 1.339 531 I CB -0.504 37.524 38.000 0.046 0.000 1.039 531 I HN 0.096 nan 8.210 nan 0.000 0.409 532 R N 0.837 121.309 120.500 -0.046 0.000 2.081 532 R HA -0.191 4.142 4.340 -0.012 0.000 0.235 532 R C 1.903 178.148 176.300 -0.092 0.000 1.131 532 R CA 1.938 58.008 56.100 -0.051 0.000 0.960 532 R CB -0.117 30.172 30.300 -0.017 0.000 0.856 532 R HN 0.289 nan 8.270 nan 0.000 0.436 533 D N -0.408 119.913 120.400 -0.131 0.000 2.117 533 D HA -0.117 4.516 4.640 -0.012 0.000 0.198 533 D C 1.914 178.075 176.300 -0.231 0.000 0.982 533 D CA 1.095 54.999 54.000 -0.159 0.000 0.828 533 D CB -0.142 40.572 40.800 -0.143 0.000 0.967 533 D HN 0.080 nan 8.370 nan 0.000 0.464 534 V N 1.384 121.070 119.914 -0.380 0.000 2.295 534 V HA -0.236 3.877 4.120 -0.012 0.000 0.246 534 V C 2.507 178.507 176.094 -0.156 0.000 1.049 534 V CA 1.885 63.983 62.300 -0.338 0.000 1.024 534 V CB -0.784 30.768 31.823 -0.451 0.000 0.648 534 V HN 0.190 nan 8.190 nan 0.000 0.447 535 A N -0.501 122.249 122.820 -0.117 0.000 1.930 535 A HA -0.235 4.078 4.320 -0.012 0.000 0.217 535 A C 2.354 179.900 177.584 -0.062 0.000 1.175 535 A CA 2.016 54.017 52.037 -0.060 0.000 0.627 535 A CB -0.454 18.516 19.000 -0.050 0.000 0.815 535 A HN 0.521 nan 8.150 nan 0.000 0.443 536 K N -0.140 120.217 120.400 -0.071 0.000 2.026 536 K HA -0.088 4.224 4.320 -0.012 0.000 0.208 536 K C 1.823 178.394 176.600 -0.049 0.000 1.048 536 K CA 1.615 57.869 56.287 -0.056 0.000 0.929 536 K CB -0.271 32.197 32.500 -0.052 0.000 0.713 536 K HN 0.226 nan 8.250 nan 0.000 0.439 537 V N 1.787 121.666 119.914 -0.059 0.000 2.343 537 V HA -0.242 3.871 4.120 -0.012 0.000 0.247 537 V C 2.408 178.485 176.094 -0.030 0.000 1.051 537 V CA 2.011 64.285 62.300 -0.043 0.000 1.036 537 V CB -0.466 31.323 31.823 -0.056 0.000 0.654 537 V HN 0.358 nan 8.190 nan 0.000 0.451 538 K N 0.473 120.853 120.400 -0.032 0.000 2.026 538 K HA -0.229 4.084 4.320 -0.012 0.000 0.208 538 K C 2.174 178.747 176.600 -0.046 0.000 1.048 538 K CA 1.830 58.105 56.287 -0.020 0.000 0.929 538 K CB -0.529 31.976 32.500 0.008 0.000 0.713 538 K HN 0.377 nan 8.250 nan 0.000 0.439 539 Q N 1.016 120.783 119.800 -0.055 0.000 2.096 539 Q HA -0.137 4.196 4.340 -0.012 0.000 0.204 539 Q C 1.705 177.683 176.000 -0.037 0.000 0.982 539 Q CA 2.072 57.834 55.803 -0.068 0.000 0.850 539 Q CB -0.110 28.593 28.738 -0.059 0.000 0.901 539 Q HN 0.515 nan 8.270 nan 0.000 0.422 540 E N -0.502 119.688 120.200 -0.017 0.000 2.077 540 E HA -0.175 4.168 4.350 -0.012 0.000 0.193 540 E C 1.772 178.390 176.600 0.032 0.000 0.989 540 E CA 1.058 57.462 56.400 0.007 0.000 0.800 540 E CB -0.114 29.587 29.700 0.003 0.000 0.746 540 E HN 0.418 nan 8.360 nan 0.000 0.452 541 N N 1.040 119.755 118.700 0.026 0.000 2.120 541 N HA -0.135 4.598 4.740 -0.012 0.000 0.188 541 N C 1.534 177.115 175.510 0.118 0.000 1.024 541 N CA 1.063 54.148 53.050 0.058 0.000 0.852 541 N CB -0.121 38.385 38.487 0.031 0.000 1.003 541 N HN 0.137 nan 8.380 nan 0.000 0.424 542 K N 0.571 121.001 120.400 0.050 0.000 2.097 542 K HA 0.011 4.323 4.320 -0.012 0.000 0.206 542 K C 2.106 178.821 176.600 0.192 0.000 1.049 542 K CA 0.649 56.972 56.287 0.060 0.000 0.933 542 K CB -0.155 32.118 32.500 -0.378 0.000 0.717 542 K HN 0.113 nan 8.250 nan 0.000 0.442 543 L N 1.143 122.428 121.223 0.103 0.000 2.017 543 L HA -0.197 4.135 4.340 -0.012 0.000 0.208 543 L C 2.623 179.585 176.870 0.153 0.000 1.073 543 L CA 1.325 56.234 54.840 0.116 0.000 0.745 543 L CB -0.330 41.768 42.059 0.064 0.000 0.894 543 L HN 0.161 nan 8.230 nan 0.000 0.432 544 K N -0.286 120.207 120.400 0.155 0.000 2.057 544 K HA -0.239 4.074 4.320 -0.012 0.000 0.207 544 K C 2.180 178.926 176.600 0.244 0.000 1.049 544 K CA 1.625 58.011 56.287 0.165 0.000 0.931 544 K CB -0.159 32.422 32.500 0.134 0.000 0.714 544 K HN 0.083 nan 8.250 nan 0.000 0.440 545 F N 1.048 121.093 119.950 0.159 0.000 2.186 545 F HA -0.031 4.489 4.527 -0.012 0.000 0.299 545 F C 1.971 177.918 175.800 0.244 0.000 1.090 545 F CA 1.172 59.296 58.000 0.208 0.000 1.307 545 F CB -0.346 38.782 39.000 0.213 0.000 1.019 545 F HN 0.071 nan 8.300 nan 0.000 0.489 546 A N 0.115 123.085 122.820 0.250 0.000 1.972 546 A HA -0.035 4.278 4.320 -0.012 0.000 0.219 546 A C 2.370 179.967 177.584 0.022 0.000 1.169 546 A CA 1.618 53.729 52.037 0.124 0.000 0.635 546 A CB -1.393 17.748 19.000 0.235 0.000 0.810 546 A HN 0.440 nan 8.150 nan 0.000 0.446 547 A N -1.628 121.231 122.820 0.065 0.000 1.929 547 A HA -0.039 4.273 4.320 -0.012 0.000 0.216 547 A C 2.096 179.687 177.584 0.011 0.000 1.176 547 A CA 1.399 53.460 52.037 0.039 0.000 0.628 547 A CB -0.760 18.282 19.000 0.071 0.000 0.816 547 A HN 0.720 nan 8.150 nan 0.000 0.444 548 Y N 0.481 120.721 120.300 -0.102 0.000 2.224 548 Y HA -0.164 4.379 4.550 -0.012 0.000 0.289 548 Y C 1.900 177.703 175.900 -0.160 0.000 1.146 548 Y CA 1.809 59.833 58.100 -0.126 0.000 1.182 548 Y CB -0.168 38.215 38.460 -0.129 0.000 0.983 548 Y HN 0.217 nan 8.280 nan 0.000 0.524 549 L N -0.061 120.994 121.223 -0.280 0.000 2.056 549 L HA -0.183 4.150 4.340 -0.012 0.000 0.207 549 L C 2.400 179.143 176.870 -0.211 0.000 1.078 549 L CA 1.574 56.251 54.840 -0.272 0.000 0.749 549 L CB -0.483 41.392 42.059 -0.306 0.000 0.901 549 L HN 0.293 nan 8.230 nan 0.000 0.433 550 E N -0.152 119.918 120.200 -0.217 0.000 2.072 550 E HA -0.202 4.141 4.350 -0.012 0.000 0.191 550 E C 2.349 178.824 176.600 -0.208 0.000 0.985 550 E CA 0.941 57.191 56.400 -0.250 0.000 0.801 550 E CB 0.024 29.599 29.700 -0.207 0.000 0.750 550 E HN 0.416 nan 8.360 nan 0.000 0.452 551 R N 0.560 120.941 120.500 -0.198 0.000 2.066 551 R HA -0.128 4.204 4.340 -0.012 0.000 0.232 551 R C 1.986 178.120 176.300 -0.278 0.000 1.131 551 R CA 1.248 57.233 56.100 -0.192 0.000 0.955 551 R CB -0.028 30.182 30.300 -0.150 0.000 0.851 551 R HN -0.004 nan 8.270 nan 0.000 0.432 552 E N -1.564 118.366 120.200 -0.450 0.000 2.400 552 E HA 0.005 4.347 4.350 -0.012 0.000 0.195 552 E C 0.145 176.243 176.600 -0.837 0.000 1.012 552 E CA 0.663 56.657 56.400 -0.677 0.000 0.875 552 E CB 0.532 29.645 29.700 -0.978 0.000 0.859 552 E HN 0.336 nan 8.360 nan 0.000 0.498 553 Y N -0.710 119.437 120.300 -0.255 0.000 2.666 553 Y HA 0.240 4.783 4.550 -0.012 0.000 0.260 553 Y C 0.073 175.883 175.900 -0.150 0.000 1.089 553 Y CA -0.563 57.435 58.100 -0.170 0.000 1.246 553 Y CB 0.885 39.248 38.460 -0.162 0.000 1.353 553 Y HN -0.262 nan 8.280 nan 0.000 0.558 554 K N 0.049 120.394 120.400 -0.091 0.000 3.020 554 K HA -0.153 4.160 4.320 -0.012 0.000 0.266 554 K C -0.265 176.206 176.600 -0.215 0.000 1.067 554 K CA 0.909 57.109 56.287 -0.144 0.000 0.780 554 K CB -2.499 29.975 32.500 -0.044 0.000 1.220 554 K HN 0.287 nan 8.250 nan 0.000 0.483 555 V N -1.629 118.156 119.914 -0.214 0.000 2.472 555 V HA 0.523 4.636 4.120 -0.012 0.000 0.290 555 V C 0.303 176.208 176.094 -0.314 0.000 1.037 555 V CA -0.805 61.389 62.300 -0.176 0.000 0.908 555 V CB 1.451 33.229 31.823 -0.075 0.000 0.985 555 V HN 0.230 nan 8.190 nan 0.000 0.454 556 H N 4.957 124.017 119.070 -0.017 0.000 2.476 556 H HA 0.795 5.344 4.556 -0.012 0.000 0.328 556 H C -0.003 175.316 175.328 -0.014 0.000 1.073 556 H CA -0.289 55.754 56.048 -0.009 0.000 1.229 556 H CB 1.536 31.299 29.762 0.001 0.000 1.432 556 H HN 0.948 nan 8.280 nan 0.000 0.477 557 I N -0.564 120.065 120.570 0.097 0.000 2.828 557 I HA 0.473 4.636 4.170 -0.012 0.000 0.302 557 I C -0.510 175.689 176.117 0.136 0.000 1.101 557 I CA -1.360 59.986 61.300 0.077 0.000 1.031 557 I CB 2.247 40.249 38.000 0.004 0.000 1.231 557 I HN 0.332 nan 8.210 nan 0.000 0.427 558 N N 5.104 123.888 118.700 0.140 0.000 2.401 558 N HA 0.369 5.102 4.740 -0.012 0.000 0.255 558 N C -1.979 173.683 175.510 0.255 0.000 1.110 558 N CA -2.328 50.815 53.050 0.155 0.000 0.949 558 N CB 0.995 39.544 38.487 0.103 0.000 1.110 558 N HN 0.396 nan 8.380 nan 0.000 0.490 559 P HA 0.044 nan 4.420 nan 0.000 0.233 559 P C -0.076 177.217 177.300 -0.012 0.000 1.167 559 P CA 0.959 64.144 63.100 0.143 0.000 0.770 559 P CB 0.195 31.953 31.700 0.097 0.000 0.837 560 N N -1.009 117.719 118.700 0.046 0.000 2.412 560 N HA 0.003 4.736 4.740 -0.012 0.000 0.184 560 N C 0.375 175.921 175.510 0.061 0.000 1.101 560 N CA -0.093 52.974 53.050 0.028 0.000 0.881 560 N CB 0.041 38.552 38.487 0.041 0.000 0.969 560 N HN 0.162 nan 8.380 nan 0.000 0.459 561 S N 0.163 115.914 115.700 0.084 0.000 2.632 561 S HA 0.226 4.689 4.470 -0.012 0.000 0.267 561 S C -0.001 174.580 174.600 -0.031 0.000 1.276 561 S CA -0.928 57.307 58.200 0.057 0.000 0.998 561 S CB 1.233 64.495 63.200 0.102 0.000 0.953 561 S HN 0.158 nan 8.310 nan 0.000 0.547 562 L N 2.189 123.227 121.223 -0.308 0.000 2.418 562 L HA 0.344 4.677 4.340 -0.012 0.000 0.274 562 L C -0.894 175.957 176.870 -0.032 0.000 1.135 562 L CA -0.478 54.001 54.840 -0.601 0.000 0.870 562 L CB -0.253 41.179 42.059 -1.045 0.000 1.154 562 L HN 0.702 nan 8.230 nan 0.000 0.462 563 F N 4.299 124.117 119.950 -0.221 0.000 2.405 563 F HA 0.101 4.621 4.527 -0.011 0.000 0.358 563 F C 0.423 176.156 175.800 -0.112 0.000 1.151 563 F CA -0.780 57.157 58.000 -0.105 0.000 1.161 563 F CB 0.552 39.536 39.000 -0.026 0.000 1.245 563 F HN 0.517 nan 8.300 nan 0.000 0.545 564 D N 4.832 125.229 120.400 -0.006 0.000 2.412 564 D HA 0.334 4.967 4.640 -0.012 0.000 0.224 564 D C -1.057 175.180 176.300 -0.104 0.000 1.093 564 D CA -0.208 53.746 54.000 -0.077 0.000 0.850 564 D CB 1.402 42.139 40.800 -0.104 0.000 1.046 564 D HN 0.113 nan 8.370 nan 0.000 0.507 565 V N 4.456 124.291 119.914 -0.131 0.000 2.487 565 V HA 0.389 4.501 4.120 -0.012 0.000 0.298 565 V C -0.229 175.715 176.094 -0.251 0.000 1.028 565 V CA -0.841 61.369 62.300 -0.151 0.000 0.860 565 V CB 1.710 33.520 31.823 -0.022 0.000 0.991 565 V HN 0.525 nan 8.190 nan 0.000 0.427 566 Q N 3.847 123.514 119.800 -0.222 0.000 2.394 566 Q HA 0.636 4.969 4.340 -0.012 0.000 0.261 566 Q C -1.352 174.479 176.000 -0.282 0.000 1.023 566 Q CA -0.468 55.188 55.803 -0.246 0.000 0.720 566 Q CB 1.904 30.525 28.738 -0.194 0.000 1.241 566 Q HN 0.804 nan 8.270 nan 0.000 0.483 567 V N 1.619 121.350 119.914 -0.304 0.000 2.444 567 V HA 0.866 4.979 4.120 -0.012 0.000 0.294 567 V C -0.917 174.899 176.094 -0.463 0.000 1.022 567 V CA -0.532 61.403 62.300 -0.609 0.000 0.850 567 V CB 1.125 32.340 31.823 -1.013 0.000 0.992 567 V HN 0.825 nan 8.190 nan 0.000 0.426 568 K N 2.563 122.736 120.400 -0.379 0.000 3.040 568 K HA 0.442 4.755 4.320 -0.012 0.000 0.300 568 K C -1.209 175.390 176.600 -0.003 0.000 1.092 568 K CA -1.211 55.037 56.287 -0.065 0.000 0.831 568 K CB 0.847 33.295 32.500 -0.087 0.000 1.469 568 K HN 0.430 nan 8.250 nan 0.000 0.365 569 R N 0.907 121.453 120.500 0.076 0.000 2.698 569 R HA 0.150 4.483 4.340 -0.012 0.000 0.266 569 R C 0.320 176.640 176.300 0.034 0.000 1.026 569 R CA -0.292 55.867 56.100 0.098 0.000 1.102 569 R CB -0.144 30.242 30.300 0.144 0.000 0.978 569 R HN 0.480 nan 8.270 nan 0.000 0.436 570 I N 4.055 124.655 120.570 0.051 0.000 2.452 570 I HA 0.106 4.269 4.170 -0.012 0.000 0.287 570 I C 0.719 176.815 176.117 -0.034 0.000 1.079 570 I CA 0.525 61.809 61.300 -0.027 0.000 1.387 570 I CB -0.303 37.670 38.000 -0.045 0.000 1.404 570 I HN 0.344 nan 8.210 nan 0.000 0.522 571 H N 5.136 124.098 119.070 -0.181 0.000 3.038 571 H HA 0.214 4.763 4.556 -0.012 0.000 0.362 571 H C 0.442 175.649 175.328 -0.203 0.000 1.167 571 H CA -0.372 55.608 56.048 -0.112 0.000 1.197 571 H CB 1.853 31.561 29.762 -0.088 0.000 1.840 571 H HN 0.594 nan 8.280 nan 0.000 0.540 572 E N 2.072 122.336 120.200 0.107 0.000 2.097 572 E HA -0.259 4.084 4.350 -0.012 0.000 0.196 572 E C 1.373 177.812 176.600 -0.270 0.000 1.000 572 E CA 1.973 58.414 56.400 0.068 0.000 0.804 572 E CB -0.090 29.814 29.700 0.341 0.000 0.740 572 E HN 0.594 nan 8.360 nan 0.000 0.454 573 Y N 0.879 120.808 120.300 -0.619 0.000 2.352 573 Y HA -0.049 4.494 4.550 -0.012 0.000 0.292 573 Y C 1.524 177.148 175.900 -0.460 0.000 1.136 573 Y CA 0.931 58.348 58.100 -1.138 0.000 1.227 573 Y CB -0.111 37.662 38.460 -1.144 0.000 0.991 573 Y HN -0.204 nan 8.280 nan 0.000 0.545 574 K N 0.690 120.615 120.400 -0.791 0.000 2.418 574 K HA 0.083 4.396 4.320 -0.012 0.000 0.195 574 K C 0.128 176.551 176.600 -0.295 0.000 1.035 574 K CA 0.452 56.394 56.287 -0.575 0.000 1.003 574 K CB -0.021 32.123 32.500 -0.594 0.000 0.793 574 K HN 0.255 nan 8.250 nan 0.000 0.494 575 R N 0.433 120.793 120.500 -0.232 0.000 3.422 575 R HA -0.236 4.097 4.340 -0.012 0.000 0.267 575 R C 0.300 176.519 176.300 -0.136 0.000 1.074 575 R CA 0.227 56.242 56.100 -0.142 0.000 0.718 575 R CB -1.931 28.301 30.300 -0.113 0.000 1.157 575 R HN 0.300 nan 8.270 nan 0.000 0.440 576 Q N 0.355 120.074 119.800 -0.135 0.000 2.248 576 Q HA -0.109 4.224 4.340 -0.012 0.000 0.208 576 Q C 2.028 177.977 176.000 -0.084 0.000 0.984 576 Q CA 1.655 57.393 55.803 -0.109 0.000 0.875 576 Q CB -0.037 28.641 28.738 -0.100 0.000 0.910 576 Q HN 0.591 nan 8.270 nan 0.000 0.433 577 L N -0.646 120.532 121.223 -0.076 0.000 2.083 577 L HA -0.183 4.150 4.340 -0.012 0.000 0.209 577 L C 2.034 178.902 176.870 -0.003 0.000 1.083 577 L CA 0.521 55.331 54.840 -0.049 0.000 0.752 577 L CB -0.356 41.685 42.059 -0.030 0.000 0.899 577 L HN 0.304 nan 8.230 nan 0.000 0.433 578 L N 0.031 121.243 121.223 -0.019 0.000 2.046 578 L HA -0.233 4.100 4.340 -0.012 0.000 0.208 578 L C 2.030 178.941 176.870 0.068 0.000 1.077 578 L CA 1.884 56.719 54.840 -0.009 0.000 0.747 578 L CB -0.817 41.127 42.059 -0.191 0.000 0.896 578 L HN 0.277 nan 8.230 nan 0.000 0.432 579 N N -1.620 117.090 118.700 0.017 0.000 2.069 579 N HA -0.249 4.483 4.740 -0.012 0.000 0.191 579 N C 1.962 177.550 175.510 0.130 0.000 1.031 579 N CA 1.781 54.920 53.050 0.149 0.000 0.852 579 N CB -0.159 38.347 38.487 0.032 0.000 1.018 579 N HN 0.496 nan 8.380 nan 0.000 0.423 580 C N 0.588 119.900 119.300 0.020 0.000 2.401 580 C HA -0.107 4.346 4.460 -0.012 0.000 0.276 580 C C 2.594 177.573 174.990 -0.018 0.000 1.233 580 C CA 0.455 59.439 59.018 -0.056 0.000 1.753 580 C CB -1.302 26.353 27.740 -0.141 0.000 2.029 580 C HN 0.504 nan 8.230 nan 0.000 0.478 581 L N -0.455 120.818 121.223 0.082 0.000 2.046 581 L HA -0.195 4.138 4.340 -0.012 0.000 0.208 581 L C 2.766 179.787 176.870 0.251 0.000 1.077 581 L CA 1.811 56.747 54.840 0.160 0.000 0.747 581 L CB -1.055 41.162 42.059 0.263 0.000 0.896 581 L HN 0.587 nan 8.230 nan 0.000 0.432 582 H N -0.031 119.146 119.070 0.178 0.000 2.357 582 H HA -0.130 4.418 4.556 -0.012 0.000 0.301 582 H C 2.237 177.556 175.328 -0.015 0.000 1.082 582 H CA 1.836 57.908 56.048 0.039 0.000 1.342 582 H CB 0.336 30.048 29.762 -0.083 0.000 1.389 582 H HN 0.092 nan 8.280 nan 0.000 0.511 583 V N 1.608 121.448 119.914 -0.122 0.000 2.287 583 V HA -0.288 3.825 4.120 -0.012 0.000 0.248 583 V C 2.830 178.860 176.094 -0.107 0.000 1.053 583 V CA 2.006 64.199 62.300 -0.178 0.000 1.027 583 V CB -0.532 31.227 31.823 -0.107 0.000 0.646 583 V HN 0.387 nan 8.190 nan 0.000 0.447 584 I N -0.236 120.305 120.570 -0.049 0.000 2.286 584 I HA -0.216 3.947 4.170 -0.012 0.000 0.248 584 I C 2.511 178.681 176.117 0.089 0.000 1.115 584 I CA 1.684 63.022 61.300 0.064 0.000 1.392 584 I CB -0.760 37.252 38.000 0.020 0.000 1.065 584 I HN 0.322 nan 8.210 nan 0.000 0.418 585 T N 1.332 115.897 114.554 0.019 0.000 2.652 585 T HA -0.173 4.170 4.350 -0.012 0.000 0.267 585 T C 1.885 176.536 174.700 -0.081 0.000 1.039 585 T CA 1.340 63.441 62.100 0.002 0.000 1.153 585 T CB -0.298 68.598 68.868 0.047 0.000 0.863 585 T HN 0.080 nan 8.240 nan 0.000 0.428 586 L N 0.049 121.152 121.223 -0.200 0.000 2.042 586 L HA -0.030 4.303 4.340 -0.012 0.000 0.210 586 L C 2.108 178.933 176.870 -0.074 0.000 1.076 586 L CA 1.570 56.290 54.840 -0.200 0.000 0.749 586 L CB -1.111 40.754 42.059 -0.324 0.000 0.893 586 L HN 0.369 nan 8.230 nan 0.000 0.432 587 Y N 0.316 120.549 120.300 -0.111 0.000 2.128 587 Y HA -0.306 4.237 4.550 -0.012 0.000 0.284 587 Y C 2.460 178.338 175.900 -0.036 0.000 1.154 587 Y CA 1.905 59.978 58.100 -0.043 0.000 1.149 587 Y CB -0.120 38.359 38.460 0.032 0.000 0.976 587 Y HN 0.277 nan 8.280 nan 0.000 0.505 588 N N 0.456 119.102 118.700 -0.090 0.000 2.166 588 N HA -0.152 4.581 4.740 -0.012 0.000 0.186 588 N C 1.828 177.222 175.510 -0.193 0.000 1.019 588 N CA 1.572 54.509 53.050 -0.187 0.000 0.856 588 N CB -0.373 38.070 38.487 -0.073 0.000 0.993 588 N HN 0.445 nan 8.380 nan 0.000 0.426 589 R N 0.323 120.738 120.500 -0.142 0.000 2.092 589 R HA 0.068 4.401 4.340 -0.012 0.000 0.231 589 R C 2.206 178.419 176.300 -0.145 0.000 1.119 589 R CA 0.732 56.757 56.100 -0.125 0.000 0.970 589 R CB -0.244 29.994 30.300 -0.104 0.000 0.864 589 R HN 0.248 nan 8.270 nan 0.000 0.440 590 I N 0.956 121.418 120.570 -0.180 0.000 2.179 590 I HA -0.268 3.895 4.170 -0.012 0.000 0.242 590 I C 2.111 178.107 176.117 -0.202 0.000 1.088 590 I CA 1.210 62.404 61.300 -0.178 0.000 1.357 590 I CB -0.167 37.730 38.000 -0.171 0.000 1.051 590 I HN 0.015 nan 8.210 nan 0.000 0.409 591 K N 0.852 121.067 120.400 -0.308 0.000 2.147 591 K HA -0.196 4.117 4.320 -0.012 0.000 0.205 591 K C 2.017 178.517 176.600 -0.166 0.000 1.049 591 K CA 1.148 57.271 56.287 -0.274 0.000 0.936 591 K CB -0.294 31.966 32.500 -0.400 0.000 0.722 591 K HN 0.331 nan 8.250 nan 0.000 0.446 592 K N 1.100 121.409 120.400 -0.151 0.000 2.103 592 K HA -0.080 4.233 4.320 -0.012 0.000 0.204 592 K C 0.005 176.557 176.600 -0.079 0.000 1.052 592 K CA 1.046 57.271 56.287 -0.103 0.000 0.945 592 K CB 0.348 32.791 32.500 -0.095 0.000 0.722 592 K HN 0.061 nan 8.250 nan 0.000 0.443 593 E N 0.024 120.175 120.200 -0.082 0.000 3.132 593 E HA 0.119 4.462 4.350 -0.012 0.000 0.241 593 E C -2.335 174.229 176.600 -0.059 0.000 1.196 593 E CA -1.558 54.807 56.400 -0.058 0.000 0.869 593 E CB 1.752 31.424 29.700 -0.046 0.000 1.387 593 E HN 0.114 nan 8.360 nan 0.000 0.393 594 P HA -0.114 nan 4.420 nan 0.000 0.218 594 P C 0.256 177.538 177.300 -0.031 0.000 1.149 594 P CA 1.138 64.205 63.100 -0.054 0.000 0.817 594 P CB 0.212 31.884 31.700 -0.046 0.000 0.785 595 N N -1.205 117.485 118.700 -0.016 0.000 2.268 595 N HA 0.012 4.745 4.740 -0.012 0.000 0.204 595 N C 0.548 176.073 175.510 0.025 0.000 1.124 595 N CA -0.100 52.953 53.050 0.005 0.000 0.838 595 N CB 0.103 38.593 38.487 0.005 0.000 0.994 595 N HN -0.001 nan 8.380 nan 0.000 0.489 596 K N 1.304 121.713 120.400 0.015 0.000 2.172 596 K HA 0.130 4.442 4.320 -0.012 0.000 0.276 596 K C -0.930 175.708 176.600 0.063 0.000 1.013 596 K CA -0.547 55.764 56.287 0.040 0.000 0.913 596 K CB 0.627 33.132 32.500 0.009 0.000 1.055 596 K HN -0.054 nan 8.250 nan 0.000 0.461 597 F N 4.842 124.778 119.950 -0.023 0.000 2.495 597 F HA 0.190 4.710 4.527 -0.012 0.000 0.365 597 F C -0.375 175.410 175.800 -0.025 0.000 1.090 597 F CA -0.105 57.882 58.000 -0.021 0.000 1.235 597 F CB 0.609 39.599 39.000 -0.016 0.000 1.119 597 F HN 0.195 nan 8.300 nan 0.000 0.562 598 V N 4.167 123.540 119.914 -0.901 0.000 2.876 598 V HA 0.545 4.658 4.120 -0.012 0.000 0.312 598 V C -0.687 174.772 176.094 -1.058 0.000 1.085 598 V CA -1.246 60.620 62.300 -0.722 0.000 0.945 598 V CB 1.026 32.633 31.823 -0.360 0.000 1.017 598 V HN 0.586 nan 8.190 nan 0.000 0.428 599 V N 4.425 124.001 119.914 -0.563 0.000 2.493 599 V HA 0.192 4.305 4.120 -0.012 0.000 0.292 599 V C -1.865 174.056 176.094 -0.288 0.000 1.016 599 V CA -0.471 61.639 62.300 -0.318 0.000 1.097 599 V CB 0.341 32.108 31.823 -0.092 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.327 nan 4.420 nan 0.000 0.271 600 P C -0.405 176.802 177.300 -0.155 0.000 1.216 600 P CA -0.069 62.936 63.100 -0.159 0.000 0.771 600 P CB 0.538 32.194 31.700 -0.073 0.000 0.864 601 R N 1.214 121.634 120.500 -0.133 0.000 2.686 601 R HA 0.537 4.870 4.340 -0.012 0.000 0.286 601 R C -0.712 175.544 176.300 -0.074 0.000 0.969 601 R CA -0.623 55.402 56.100 -0.126 0.000 0.898 601 R CB 1.929 32.139 30.300 -0.150 0.000 1.183 601 R HN 0.309 nan 8.270 nan 0.000 0.456 602 T N 2.203 116.728 114.554 -0.048 0.000 2.770 602 T HA 0.236 4.579 4.350 -0.012 0.000 0.297 602 T C -0.216 174.393 174.700 -0.152 0.000 0.997 602 T CA -0.469 61.560 62.100 -0.118 0.000 0.949 602 T CB 1.119 69.847 68.868 -0.234 0.000 0.941 602 T HN 0.135 nan 8.240 nan 0.000 0.457 603 V N 5.954 125.789 119.914 -0.132 0.000 2.364 603 V HA 0.415 4.527 4.120 -0.012 0.000 0.272 603 V C 0.072 176.084 176.094 -0.136 0.000 1.036 603 V CA -0.399 61.829 62.300 -0.121 0.000 0.880 603 V CB 0.694 32.462 31.823 -0.092 0.000 0.991 603 V HN 0.856 nan 8.190 nan 0.000 0.460 604 M N 6.708 126.217 119.600 -0.152 0.000 2.243 604 M HA 0.620 5.092 4.480 -0.012 0.000 0.324 604 M C -1.028 175.162 176.300 -0.183 0.000 1.031 604 M CA -0.187 55.014 55.300 -0.165 0.000 0.949 604 M CB 2.015 34.512 32.600 -0.172 0.000 1.615 604 M HN 0.421 nan 8.290 nan 0.000 0.430 605 I N 1.873 122.317 120.570 -0.210 0.000 2.498 605 I HA 0.821 4.984 4.170 -0.012 0.000 0.290 605 I C 0.036 175.830 176.117 -0.538 0.000 1.032 605 I CA -0.675 60.470 61.300 -0.258 0.000 1.073 605 I CB 2.313 40.246 38.000 -0.110 0.000 1.251 605 I HN 0.796 nan 8.210 nan 0.000 0.426 606 G N 2.955 111.400 108.800 -0.592 0.000 2.690 606 G HA2 0.841 4.794 3.960 -0.012 0.000 0.293 606 G HA3 0.841 4.794 3.960 -0.012 0.000 0.293 606 G C -1.013 173.590 174.900 -0.494 0.000 1.399 606 G CA -0.814 43.792 45.100 -0.822 0.000 0.890 606 G HN 0.993 nan 8.290 nan 0.000 0.485 607 G N -0.310 108.344 108.800 -0.242 0.000 2.352 607 G HA2 0.410 4.363 3.960 -0.012 0.000 0.303 607 G HA3 0.410 4.363 3.960 -0.012 0.000 0.303 607 G C -1.287 173.743 174.900 0.217 0.000 1.593 607 G CA -1.046 44.089 45.100 0.058 0.000 0.963 607 G HN 0.605 nan 8.290 nan 0.000 0.685 608 K N -0.034 120.493 120.400 0.212 0.000 2.118 608 K HA 0.729 5.042 4.320 -0.012 0.000 0.267 608 K C 0.297 177.045 176.600 0.245 0.000 0.991 608 K CA -0.177 56.257 56.287 0.245 0.000 0.916 608 K CB 1.991 34.537 32.500 0.076 0.000 1.041 608 K HN 0.841 nan 8.250 nan 0.000 0.455 609 A N 1.557 124.552 122.820 0.292 0.000 2.305 609 A HA 0.608 4.921 4.320 -0.012 0.000 0.322 609 A C -0.348 177.427 177.584 0.318 0.000 1.187 609 A CA -0.716 51.439 52.037 0.196 0.000 0.825 609 A CB 0.912 19.945 19.000 0.055 0.000 1.164 609 A HN 0.787 nan 8.150 nan 0.000 0.498 610 A N 3.674 126.669 122.820 0.292 0.000 2.546 610 A HA 0.440 4.753 4.320 -0.012 0.000 0.243 610 A C -1.407 176.267 177.584 0.149 0.000 1.063 610 A CA -0.681 51.523 52.037 0.279 0.000 0.757 610 A CB -0.357 18.790 19.000 0.246 0.000 0.991 610 A HN 0.601 nan 8.150 nan 0.000 0.503 611 P HA -0.111 nan 4.420 nan 0.000 0.217 611 P C 1.257 178.545 177.300 -0.019 0.000 1.148 611 P CA 1.876 64.916 63.100 -0.099 0.000 0.828 611 P CB 0.214 31.791 31.700 -0.205 0.000 0.783 612 G N -2.863 105.947 108.800 0.016 0.000 3.284 612 G HA2 -0.061 3.891 3.960 -0.012 0.000 0.236 612 G HA3 -0.061 3.891 3.960 -0.012 0.000 0.236 612 G C -0.324 174.603 174.900 0.047 0.000 1.158 612 G CA -0.086 45.023 45.100 0.014 0.000 0.774 612 G HN 0.306 nan 8.290 nan 0.000 0.545 613 Y N 1.442 121.691 120.300 -0.085 0.000 2.751 613 Y HA 0.228 4.771 4.550 -0.012 0.000 0.333 613 Y C 1.574 177.461 175.900 -0.021 0.000 1.122 613 Y CA -1.117 56.917 58.100 -0.111 0.000 1.367 613 Y CB 0.168 38.535 38.460 -0.155 0.000 1.242 613 Y HN 0.305 nan 8.280 nan 0.000 0.505 614 H N 4.017 123.217 119.070 0.216 0.000 2.290 614 H HA -0.226 4.323 4.556 -0.012 0.000 0.298 614 H C 1.793 177.165 175.328 0.074 0.000 1.087 614 H CA 2.416 58.532 56.048 0.114 0.000 1.291 614 H CB 0.374 30.192 29.762 0.093 0.000 1.369 614 H HN 0.729 nan 8.280 nan 0.000 0.492 615 M N 1.000 120.626 119.600 0.044 0.000 2.117 615 M HA -0.081 4.392 4.480 -0.012 0.000 0.262 615 M C 2.553 178.644 176.300 -0.349 0.000 1.065 615 M CA 1.829 57.063 55.300 -0.110 0.000 1.114 615 M CB -0.692 31.973 32.600 0.108 0.000 1.361 615 M HN 0.342 nan 8.290 nan 0.000 0.408 616 A N -0.364 122.011 122.820 -0.741 0.000 1.933 616 A HA -0.203 4.110 4.320 -0.012 0.000 0.218 616 A C 2.196 179.588 177.584 -0.321 0.000 1.175 616 A CA 1.927 53.539 52.037 -0.708 0.000 0.628 616 A CB -0.660 17.679 19.000 -1.101 0.000 0.814 616 A HN 0.592 nan 8.150 nan 0.000 0.444 617 K N -1.178 119.087 120.400 -0.224 0.000 2.148 617 K HA -0.041 4.272 4.320 -0.012 0.000 0.204 617 K C 1.949 178.513 176.600 -0.061 0.000 1.050 617 K CA 1.216 57.457 56.287 -0.076 0.000 0.942 617 K CB -0.206 32.303 32.500 0.016 0.000 0.724 617 K HN 0.342 nan 8.250 nan 0.000 0.446 618 M N 0.547 120.059 119.600 -0.146 0.000 2.175 618 M HA -0.089 4.384 4.480 -0.012 0.000 0.264 618 M C 2.121 178.368 176.300 -0.089 0.000 1.063 618 M CA 1.431 56.685 55.300 -0.076 0.000 1.119 618 M CB -0.640 31.892 32.600 -0.112 0.000 1.377 618 M HN 0.122 nan 8.290 nan 0.000 0.415 619 I N -0.150 120.331 120.570 -0.150 0.000 2.226 619 I HA -0.307 3.856 4.170 -0.012 0.000 0.245 619 I C 2.297 178.297 176.117 -0.195 0.000 1.100 619 I CA 1.063 62.263 61.300 -0.167 0.000 1.374 619 I CB -0.326 37.574 38.000 -0.166 0.000 1.057 619 I HN 0.176 nan 8.210 nan 0.000 0.413 620 I N 0.638 121.080 120.570 -0.214 0.000 2.163 620 I HA -0.318 3.845 4.170 -0.012 0.000 0.243 620 I C 2.617 178.470 176.117 -0.440 0.000 1.085 620 I CA 1.320 62.407 61.300 -0.356 0.000 1.347 620 I CB -0.344 37.429 38.000 -0.379 0.000 1.044 620 I HN 0.156 nan 8.210 nan 0.000 0.408 621 K N 1.499 121.652 120.400 -0.412 0.000 2.063 621 K HA -0.170 4.143 4.320 -0.012 0.000 0.208 621 K C 2.048 178.492 176.600 -0.260 0.000 1.048 621 K CA 1.527 57.487 56.287 -0.544 0.000 0.928 621 K CB -0.578 31.324 32.500 -0.996 0.000 0.713 621 K HN 0.236 nan 8.250 nan 0.000 0.442 622 L N 0.345 121.443 121.223 -0.209 0.000 2.012 622 L HA -0.183 4.150 4.340 -0.012 0.000 0.210 622 L C 2.199 178.831 176.870 -0.396 0.000 1.073 622 L CA 1.769 56.311 54.840 -0.497 0.000 0.748 622 L CB -0.300 41.383 42.059 -0.627 0.000 0.891 622 L HN 0.277 nan 8.230 nan 0.000 0.431 623 I N -0.227 120.167 120.570 -0.294 0.000 2.163 623 I HA -0.334 3.828 4.170 -0.012 0.000 0.243 623 I C 2.635 178.646 176.117 -0.176 0.000 1.085 623 I CA 1.933 63.112 61.300 -0.201 0.000 1.347 623 I CB -0.584 37.381 38.000 -0.059 0.000 1.044 623 I HN 0.429 nan 8.210 nan 0.000 0.408 624 T N -0.869 113.551 114.554 -0.223 0.000 2.821 624 T HA -0.063 4.280 4.350 -0.012 0.000 0.267 624 T C 1.984 176.616 174.700 -0.113 0.000 1.046 624 T CA 0.925 62.922 62.100 -0.171 0.000 1.139 624 T CB -0.462 68.257 68.868 -0.249 0.000 0.871 624 T HN 0.335 nan 8.240 nan 0.000 0.454 625 A N 1.489 124.241 122.820 -0.114 0.000 1.930 625 A HA 0.145 4.458 4.320 -0.012 0.000 0.217 625 A C 2.370 179.972 177.584 0.030 0.000 1.175 625 A CA 1.277 53.318 52.037 0.007 0.000 0.627 625 A CB -0.812 18.289 19.000 0.169 0.000 0.815 625 A HN 0.588 nan 8.150 nan 0.000 0.443 626 I N -0.278 120.202 120.570 -0.150 0.000 2.179 626 I HA -0.199 3.964 4.170 -0.012 0.000 0.242 626 I C 2.728 178.802 176.117 -0.072 0.000 1.088 626 I CA 1.167 62.357 61.300 -0.184 0.000 1.357 626 I CB -0.641 37.123 38.000 -0.394 0.000 1.051 626 I HN 0.385 nan 8.210 nan 0.000 0.409 627 G N 0.399 109.147 108.800 -0.086 0.000 2.440 627 G HA2 -0.269 3.684 3.960 -0.012 0.000 0.218 627 G HA3 -0.269 3.684 3.960 -0.012 0.000 0.218 627 G C 1.272 176.149 174.900 -0.038 0.000 1.154 627 G CA 1.057 46.114 45.100 -0.072 0.000 0.767 627 G HN 0.289 nan 8.290 nan 0.000 0.552 628 D N 0.016 120.436 120.400 0.033 0.000 2.149 628 D HA -0.083 4.550 4.640 -0.012 0.000 0.198 628 D C 2.723 179.126 176.300 0.172 0.000 0.990 628 D CA 0.724 54.811 54.000 0.145 0.000 0.839 628 D CB -0.236 40.620 40.800 0.093 0.000 0.948 628 D HN 0.247 nan 8.370 nan 0.000 0.460 629 V N 0.264 120.214 119.914 0.061 0.000 2.302 629 V HA -0.145 3.967 4.120 -0.012 0.000 0.243 629 V C 2.616 178.657 176.094 -0.089 0.000 1.036 629 V CA 0.820 63.103 62.300 -0.029 0.000 1.020 629 V CB -0.311 31.460 31.823 -0.087 0.000 0.657 629 V HN 0.027 nan 8.190 nan 0.000 0.453 630 V N 0.889 120.698 119.914 -0.175 0.000 2.343 630 V HA -0.202 3.911 4.120 -0.012 0.000 0.247 630 V C 2.156 178.201 176.094 -0.082 0.000 1.051 630 V CA 2.008 64.197 62.300 -0.186 0.000 1.036 630 V CB -0.851 30.861 31.823 -0.184 0.000 0.654 630 V HN 0.562 nan 8.190 nan 0.000 0.451 631 N N -0.416 118.178 118.700 -0.177 0.000 2.512 631 N HA -0.080 4.653 4.740 -0.012 0.000 0.183 631 N C 1.283 176.543 175.510 -0.416 0.000 1.073 631 N CA 0.932 53.792 53.050 -0.316 0.000 0.911 631 N CB -0.243 37.978 38.487 -0.444 0.000 0.964 631 N HN 0.690 nan 8.380 nan 0.000 0.447 632 H N -1.565 117.509 119.070 0.006 0.000 2.893 632 H HA 0.195 4.744 4.556 -0.012 0.000 0.270 632 H C -0.447 174.894 175.328 0.022 0.000 1.095 632 H CA -0.478 55.574 56.048 0.007 0.000 1.186 632 H CB 0.665 30.422 29.762 -0.008 0.000 1.562 632 H HN -0.026 nan 8.280 nan 0.000 0.536 633 D N 1.793 122.266 120.400 0.122 0.000 2.325 633 D HA 0.031 4.663 4.640 -0.012 0.000 0.251 633 D C -1.616 174.740 176.300 0.093 0.000 1.196 633 D CA -2.062 52.020 54.000 0.136 0.000 0.866 633 D CB 1.603 42.554 40.800 0.253 0.000 1.101 633 D HN 0.114 nan 8.370 nan 0.000 0.476 634 P HA -0.104 nan 4.420 nan 0.000 0.220 634 P C 1.545 178.864 177.300 0.032 0.000 1.148 634 P CA 0.323 63.449 63.100 0.043 0.000 0.803 634 P CB 0.439 32.159 31.700 0.033 0.000 0.782 635 V N -0.582 119.352 119.914 0.033 0.000 2.515 635 V HA -0.165 3.948 4.120 -0.012 0.000 0.250 635 V C 2.431 178.528 176.094 0.004 0.000 1.058 635 V CA 1.499 63.805 62.300 0.010 0.000 1.064 635 V CB -0.992 30.827 31.823 -0.007 0.000 0.675 635 V HN -0.020 nan 8.190 nan 0.000 0.461 636 V N -0.107 119.827 119.914 0.033 0.000 2.358 636 V HA 0.085 4.198 4.120 -0.012 0.000 0.246 636 V C 1.835 177.934 176.094 0.008 0.000 1.047 636 V CA 1.602 63.920 62.300 0.030 0.000 1.035 636 V CB -1.347 30.540 31.823 0.106 0.000 0.658 636 V HN 0.729 nan 8.190 nan 0.000 0.452 637 G N 1.609 110.418 108.800 0.015 0.000 2.556 637 G HA2 -0.373 3.580 3.960 -0.012 0.000 0.283 637 G HA3 -0.373 3.580 3.960 -0.012 0.000 0.283 637 G C 0.326 175.224 174.900 -0.003 0.000 1.177 637 G CA 0.460 45.563 45.100 0.005 0.000 0.978 637 G HN 0.675 nan 8.290 nan 0.000 0.554 638 D N 0.467 120.864 120.400 -0.004 0.000 2.358 638 D HA 0.160 4.793 4.640 -0.012 0.000 0.224 638 D C 1.872 178.161 176.300 -0.018 0.000 1.123 638 D CA 0.178 54.176 54.000 -0.003 0.000 0.833 638 D CB -0.090 40.718 40.800 0.012 0.000 0.946 638 D HN 0.595 nan 8.370 nan 0.000 0.505 639 R N -0.725 119.753 120.500 -0.036 0.000 2.161 639 R HA 0.218 4.551 4.340 -0.012 0.000 0.213 639 R C -0.043 176.209 176.300 -0.080 0.000 1.055 639 R CA 0.225 56.279 56.100 -0.077 0.000 0.996 639 R CB 0.333 30.570 30.300 -0.105 0.000 0.901 639 R HN 0.109 nan 8.270 nan 0.000 0.456 640 L N 0.689 121.883 121.223 -0.049 0.000 2.516 640 L HA 0.382 4.715 4.340 -0.012 0.000 0.267 640 L C -1.556 175.288 176.870 -0.044 0.000 0.957 640 L CA -0.470 54.340 54.840 -0.050 0.000 0.860 640 L CB 1.787 43.828 42.059 -0.030 0.000 1.265 640 L HN -0.182 nan 8.230 nan 0.000 0.403 641 R N 3.901 124.363 120.500 -0.063 0.000 2.621 641 R HA 0.772 5.105 4.340 -0.012 0.000 0.292 641 R C -1.610 174.635 176.300 -0.092 0.000 0.969 641 R CA -0.791 55.263 56.100 -0.076 0.000 0.887 641 R CB 2.416 32.673 30.300 -0.071 0.000 1.180 641 R HN 0.420 nan 8.270 nan 0.000 0.450 642 V N 4.914 124.771 119.914 -0.095 0.000 2.378 642 V HA 0.496 4.609 4.120 -0.012 0.000 0.288 642 V C -0.287 175.761 176.094 -0.077 0.000 1.016 642 V CA -0.730 61.515 62.300 -0.091 0.000 0.840 642 V CB 1.606 33.373 31.823 -0.094 0.000 0.994 642 V HN 0.542 nan 8.190 nan 0.000 0.431 643 I N 4.834 125.359 120.570 -0.075 0.000 2.498 643 I HA 0.437 4.600 4.170 -0.012 0.000 0.290 643 I C -0.692 175.410 176.117 -0.025 0.000 1.032 643 I CA -0.327 60.939 61.300 -0.056 0.000 1.073 643 I CB 1.969 39.911 38.000 -0.097 0.000 1.251 643 I HN 0.557 nan 8.210 nan 0.000 0.426 644 F N 7.075 126.955 119.950 -0.117 0.000 2.404 644 F HA 0.464 4.984 4.527 -0.012 0.000 0.358 644 F C -0.510 175.218 175.800 -0.120 0.000 1.120 644 F CA -0.644 57.290 58.000 -0.110 0.000 1.144 644 F CB 0.611 39.552 39.000 -0.099 0.000 1.133 644 F HN 0.160 nan 8.300 nan 0.000 0.495 645 L N 6.112 126.963 121.223 -0.621 0.000 2.407 645 L HA 0.147 4.479 4.340 -0.012 0.000 0.282 645 L C 0.297 176.908 176.870 -0.431 0.000 1.110 645 L CA 0.140 54.724 54.840 -0.427 0.000 0.863 645 L CB 0.033 41.925 42.059 -0.278 0.000 1.207 645 L HN 0.609 nan 8.230 nan 0.000 0.454 646 E N 3.329 123.419 120.200 -0.183 0.000 2.373 646 E HA -0.015 4.328 4.350 -0.012 0.000 0.267 646 E C 0.504 177.171 176.600 0.112 0.000 1.032 646 E CA -0.161 56.282 56.400 0.071 0.000 0.889 646 E CB 0.294 30.038 29.700 0.073 0.000 0.984 646 E HN 0.533 nan 8.360 nan 0.000 0.425 647 N N 2.600 121.419 118.700 0.199 0.000 2.738 647 N HA -0.277 4.456 4.740 -0.012 0.000 0.249 647 N C -1.557 174.050 175.510 0.160 0.000 1.047 647 N CA 0.497 53.657 53.050 0.184 0.000 0.707 647 N CB -1.610 36.999 38.487 0.204 0.000 0.937 647 N HN 0.486 nan 8.380 nan 0.000 0.545 648 Y N 1.588 121.896 120.300 0.013 0.000 2.721 648 Y HA 0.153 4.696 4.550 -0.012 0.000 0.329 648 Y C 1.163 177.082 175.900 0.032 0.000 1.211 648 Y CA 0.741 58.838 58.100 -0.006 0.000 1.512 648 Y CB 0.298 38.720 38.460 -0.064 0.000 1.249 648 Y HN 0.377 nan 8.280 nan 0.000 0.549 649 R N 2.386 122.542 120.500 -0.573 0.000 2.756 649 R HA 0.428 4.761 4.340 -0.012 0.000 0.273 649 R C -0.577 175.404 176.300 -0.533 0.000 1.030 649 R CA -0.598 55.269 56.100 -0.388 0.000 0.887 649 R CB 0.301 30.570 30.300 -0.052 0.000 1.274 649 R HN 0.349 nan 8.270 nan 0.000 0.461 650 V N 1.107 120.742 119.914 -0.466 0.000 2.287 650 V HA -0.286 3.826 4.120 -0.012 0.000 0.248 650 V C 2.614 178.588 176.094 -0.199 0.000 1.053 650 V CA 2.820 64.893 62.300 -0.379 0.000 1.027 650 V CB -0.797 30.751 31.823 -0.457 0.000 0.646 650 V HN 0.925 nan 8.190 nan 0.000 0.447 651 S N 0.123 115.733 115.700 -0.150 0.000 2.382 651 S HA -0.198 4.265 4.470 -0.012 0.000 0.228 651 S C 1.941 176.498 174.600 -0.073 0.000 1.027 651 S CA 1.771 59.909 58.200 -0.103 0.000 0.991 651 S CB -0.546 62.623 63.200 -0.052 0.000 0.823 651 S HN 0.396 nan 8.310 nan 0.000 0.469 652 L N 1.934 123.128 121.223 -0.048 0.000 2.109 652 L HA 0.332 4.665 4.340 -0.012 0.000 0.207 652 L C 2.696 179.606 176.870 0.066 0.000 1.086 652 L CA 1.373 56.240 54.840 0.044 0.000 0.760 652 L CB -1.303 40.846 42.059 0.151 0.000 0.910 652 L HN 0.355 nan 8.230 nan 0.000 0.437 653 A N -0.608 122.222 122.820 0.017 0.000 1.908 653 A HA -0.256 4.057 4.320 -0.012 0.000 0.218 653 A C 2.136 179.787 177.584 0.111 0.000 1.181 653 A CA 1.940 54.057 52.037 0.135 0.000 0.627 653 A CB -0.645 18.415 19.000 0.101 0.000 0.818 653 A HN 0.601 nan 8.150 nan 0.000 0.445 654 E N -0.481 119.761 120.200 0.070 0.000 2.265 654 E HA -0.168 4.174 4.350 -0.012 0.000 0.196 654 E C 1.918 178.485 176.600 -0.054 0.000 0.996 654 E CA 1.228 57.620 56.400 -0.013 0.000 0.832 654 E CB -0.058 29.545 29.700 -0.162 0.000 0.756 654 E HN 0.633 nan 8.360 nan 0.000 0.491 655 K N 0.019 120.379 120.400 -0.067 0.000 2.141 655 K HA 0.020 4.333 4.320 -0.012 0.000 0.202 655 K C 2.157 178.621 176.600 -0.226 0.000 1.045 655 K CA 0.480 56.724 56.287 -0.072 0.000 0.971 655 K CB 0.028 32.493 32.500 -0.058 0.000 0.795 655 K HN -0.042 nan 8.250 nan 0.000 0.459 656 V N 1.765 121.460 119.914 -0.366 0.000 2.488 656 V HA -0.112 4.001 4.120 -0.012 0.000 0.246 656 V C 1.885 177.734 176.094 -0.408 0.000 1.046 656 V CA 1.133 62.975 62.300 -0.764 0.000 1.053 656 V CB -0.140 31.334 31.823 -0.583 0.000 0.679 656 V HN 0.234 nan 8.190 nan 0.000 0.458 657 I N 0.814 121.196 120.570 -0.313 0.000 2.163 657 I HA -0.137 4.026 4.170 -0.012 0.000 0.243 657 I C -0.231 175.752 176.117 -0.222 0.000 1.085 657 I CA 1.722 62.754 61.300 -0.447 0.000 1.347 657 I CB -1.522 36.089 38.000 -0.648 0.000 1.044 657 I HN 0.365 nan 8.210 nan 0.000 0.408 658 P HA -0.127 nan 4.420 nan 0.000 0.222 658 P C 1.002 178.291 177.300 -0.019 0.000 1.147 658 P CA 1.296 64.365 63.100 -0.052 0.000 0.790 658 P CB 0.003 31.684 31.700 -0.032 0.000 0.780 659 A N -1.084 121.708 122.820 -0.048 0.000 2.218 659 A HA 0.434 4.747 4.320 -0.012 0.000 0.209 659 A C 1.232 178.905 177.584 0.148 0.000 1.168 659 A CA 0.211 52.272 52.037 0.039 0.000 0.804 659 A CB -0.708 18.309 19.000 0.029 0.000 0.834 659 A HN 0.210 nan 8.150 nan 0.000 0.482 660 A N -0.028 122.881 122.820 0.148 0.000 2.354 660 A HA 0.461 4.774 4.320 -0.012 0.000 0.269 660 A C 0.362 178.094 177.584 0.247 0.000 1.109 660 A CA -0.149 52.045 52.037 0.263 0.000 0.800 660 A CB 0.334 19.586 19.000 0.420 0.000 1.045 660 A HN 0.276 nan 8.150 nan 0.000 0.489 661 D N 0.480 121.029 120.400 0.248 0.000 2.338 661 D HA 0.117 4.749 4.640 -0.012 0.000 0.224 661 D C 0.050 176.562 176.300 0.352 0.000 0.967 661 D CA 0.787 54.983 54.000 0.327 0.000 0.896 661 D CB 0.285 41.198 40.800 0.188 0.000 1.028 661 D HN 0.363 nan 8.370 nan 0.000 0.493 662 L N 1.071 122.387 121.223 0.154 0.000 2.376 662 L HA 0.287 4.619 4.340 -0.012 0.000 0.275 662 L C -0.844 175.914 176.870 -0.186 0.000 0.987 662 L CA -0.300 54.553 54.840 0.021 0.000 0.828 662 L CB 2.106 44.146 42.059 -0.032 0.000 1.249 662 L HN -0.184 nan 8.230 nan 0.000 0.409 663 S N 4.254 119.755 115.700 -0.331 0.000 2.429 663 S HA 0.335 4.798 4.470 -0.012 0.000 0.302 663 S C -0.410 173.912 174.600 -0.463 0.000 1.115 663 S CA -0.657 57.103 58.200 -0.733 0.000 1.095 663 S CB 0.672 63.376 63.200 -0.827 0.000 0.987 663 S HN 0.554 nan 8.310 nan 0.000 0.474 664 E N 4.090 124.025 120.200 -0.442 0.000 2.089 664 E HA 0.219 4.562 4.350 -0.012 0.000 0.284 664 E C -0.576 175.901 176.600 -0.205 0.000 1.023 664 E CA -0.434 55.831 56.400 -0.225 0.000 0.819 664 E CB 1.053 30.653 29.700 -0.167 0.000 1.076 664 E HN 0.600 nan 8.360 nan 0.000 0.396 665 Q N 2.825 122.562 119.800 -0.106 0.000 3.064 665 Q HA 0.273 4.606 4.340 -0.012 0.000 0.258 665 Q C 0.587 176.567 176.000 -0.033 0.000 0.972 665 Q CA -0.124 55.629 55.803 -0.082 0.000 0.761 665 Q CB 0.262 28.963 28.738 -0.062 0.000 1.281 665 Q HN 0.618 nan 8.270 nan 0.000 0.455 666 I N -1.835 118.701 120.570 -0.056 0.000 3.707 666 I HA 0.270 4.433 4.170 -0.012 0.000 0.330 666 I C 0.421 176.485 176.117 -0.089 0.000 1.572 666 I CA -0.687 60.595 61.300 -0.030 0.000 1.104 666 I CB 0.544 38.530 38.000 -0.023 0.000 1.240 666 I HN 0.004 nan 8.210 nan 0.000 0.475 667 S N 0.464 116.109 115.700 -0.092 0.000 2.573 667 S HA 0.173 4.636 4.470 -0.012 0.000 0.277 667 S C 0.577 175.154 174.600 -0.039 0.000 1.346 667 S CA -0.244 57.919 58.200 -0.062 0.000 1.034 667 S CB 0.251 63.461 63.200 0.016 0.000 0.879 667 S HN 0.377 nan 8.310 nan 0.000 0.528 668 T N 2.772 117.335 114.554 0.016 0.000 2.902 668 T HA 0.375 4.718 4.350 -0.012 0.000 0.301 668 T C 0.761 175.472 174.700 0.019 0.000 1.012 668 T CA 0.252 62.374 62.100 0.036 0.000 1.151 668 T CB -0.013 68.948 68.868 0.155 0.000 0.946 668 T HN 1.017 nan 8.240 nan 0.000 0.542 669 A N 2.746 125.548 122.820 -0.030 0.000 2.580 669 A HA 0.446 4.759 4.320 -0.012 0.000 0.244 669 A C 1.633 179.214 177.584 -0.006 0.000 1.045 669 A CA 0.300 52.316 52.037 -0.036 0.000 0.761 669 A CB -0.914 18.053 19.000 -0.055 0.000 0.962 669 A HN 1.731 nan 8.150 nan 0.000 0.512 670 G N 1.427 110.223 108.800 -0.007 0.000 2.176 670 G HA2 -0.224 3.728 3.960 -0.012 0.000 0.232 670 G HA3 -0.224 3.728 3.960 -0.012 0.000 0.232 670 G C 0.805 175.698 174.900 -0.011 0.000 0.986 670 G CA 1.095 46.193 45.100 -0.003 0.000 0.643 670 G HN 1.994 nan 8.290 nan 0.000 0.522 671 T N -2.661 111.883 114.554 -0.017 0.000 3.026 671 T HA 0.416 4.759 4.350 -0.012 0.000 0.245 671 T C 0.710 175.261 174.700 -0.248 0.000 1.004 671 T CA 1.008 63.034 62.100 -0.123 0.000 1.069 671 T CB 0.590 69.435 68.868 -0.038 0.000 1.005 671 T HN 0.267 nan 8.240 nan 0.000 0.472 672 E N 1.558 121.745 120.200 -0.021 0.000 2.052 672 E HA 0.668 5.011 4.350 -0.012 0.000 0.283 672 E C 1.159 177.717 176.600 -0.069 0.000 1.071 672 E CA 0.071 56.498 56.400 0.046 0.000 0.851 672 E CB 0.819 30.598 29.700 0.132 0.000 1.066 672 E HN 0.353 nan 8.360 nan 0.000 0.396 673 A N 3.413 126.123 122.820 -0.183 0.000 1.892 673 A HA -0.215 4.097 4.320 -0.012 0.000 0.218 673 A C 1.995 179.455 177.584 -0.207 0.000 1.188 673 A CA 2.269 54.077 52.037 -0.381 0.000 0.631 673 A CB -0.285 18.267 19.000 -0.747 0.000 0.822 673 A HN 0.602 nan 8.150 nan 0.000 0.447 674 S N -3.762 111.872 115.700 -0.110 0.000 3.624 674 S HA 0.452 4.915 4.470 -0.012 0.000 0.244 674 S C 0.739 175.325 174.600 -0.024 0.000 1.115 674 S CA 1.456 59.635 58.200 -0.035 0.000 0.820 674 S CB -0.123 63.078 63.200 0.001 0.000 0.964 674 S HN 2.264 nan 8.310 nan 0.000 0.508 675 G N 0.378 109.168 108.800 -0.016 0.000 2.722 675 G HA2 -0.074 3.879 3.960 -0.012 0.000 0.686 675 G HA3 -0.074 3.879 3.960 -0.012 0.000 0.686 675 G C 0.253 175.128 174.900 -0.041 0.000 1.282 675 G CA 0.445 45.532 45.100 -0.022 0.000 0.817 675 G HN 1.293 nan 8.290 nan 0.000 0.605 676 T N -1.724 112.792 114.554 -0.063 0.000 3.010 676 T HA 0.380 4.723 4.350 -0.012 0.000 0.253 676 T C 2.410 177.008 174.700 -0.171 0.000 0.939 676 T CA 1.254 63.288 62.100 -0.110 0.000 0.910 676 T CB 0.231 69.025 68.868 -0.125 0.000 1.226 676 T HN 1.898 nan 8.240 nan 0.000 0.508 677 G N 3.268 111.995 108.800 -0.122 0.000 2.469 677 G HA2 -0.312 3.641 3.960 -0.012 0.000 0.219 677 G HA3 -0.312 3.641 3.960 -0.012 0.000 0.219 677 G C 1.469 176.426 174.900 0.095 0.000 1.150 677 G CA 1.294 46.356 45.100 -0.064 0.000 0.763 677 G HN 0.838 nan 8.290 nan 0.000 0.561 678 N N -0.061 118.664 118.700 0.043 0.000 2.091 678 N HA -0.132 4.600 4.740 -0.012 0.000 0.193 678 N C 1.450 176.959 175.510 -0.002 0.000 1.021 678 N CA 0.769 53.838 53.050 0.032 0.000 0.862 678 N CB -0.360 38.104 38.487 -0.039 0.000 1.018 678 N HN 0.351 nan 8.380 nan 0.000 0.429 682 M N 0.282 119.965 119.600 0.139 0.000 2.117 682 M HA -0.149 4.324 4.480 -0.012 0.000 0.262 682 M C 1.981 178.334 176.300 0.088 0.000 1.065 682 M CA 1.792 57.147 55.300 0.091 0.000 1.114 682 M CB -0.056 32.589 32.600 0.076 0.000 1.361 682 M HN 0.321 nan 8.290 nan 0.000 0.408 683 L N 0.759 122.030 121.223 0.080 0.000 2.201 683 L HA -0.092 4.241 4.340 -0.012 0.000 0.212 683 L C 1.320 178.232 176.870 0.070 0.000 1.105 683 L CA 1.623 56.516 54.840 0.088 0.000 0.775 683 L CB -0.569 41.551 42.059 0.102 0.000 0.913 683 L HN 0.347 nan 8.230 nan 0.000 0.440 684 N N -0.327 118.405 118.700 0.053 0.000 2.235 684 N HA 0.172 4.905 4.740 -0.012 0.000 0.209 684 N C 0.820 176.362 175.510 0.053 0.000 1.122 684 N CA 0.778 53.852 53.050 0.039 0.000 0.845 684 N CB 0.581 39.067 38.487 -0.002 0.000 1.004 684 N HN 0.391 nan 8.380 nan 0.000 0.499 685 G N 0.636 109.474 108.800 0.064 0.000 2.142 685 G HA2 -0.203 3.750 3.960 -0.012 0.000 0.225 685 G HA3 -0.203 3.750 3.960 -0.012 0.000 0.225 685 G C -0.011 174.954 174.900 0.107 0.000 1.015 685 G CA 0.138 45.276 45.100 0.063 0.000 0.716 685 G HN 0.513 nan 8.290 nan 0.000 0.508 686 A N -0.288 122.609 122.820 0.127 0.000 2.312 686 A HA 0.876 5.189 4.320 -0.012 0.000 0.328 686 A C 0.468 178.060 177.584 0.014 0.000 1.158 686 A CA -0.619 51.510 52.037 0.154 0.000 0.821 686 A CB 0.974 20.130 19.000 0.259 0.000 1.170 686 A HN 0.718 nan 8.150 nan 0.000 0.490 687 L N 0.807 121.997 121.223 -0.054 0.000 2.421 687 L HA 0.438 4.770 4.340 -0.012 0.000 0.263 687 L C 0.215 176.966 176.870 -0.197 0.000 1.122 687 L CA -0.307 54.412 54.840 -0.201 0.000 0.804 687 L CB 1.386 43.239 42.059 -0.343 0.000 1.150 687 L HN 0.679 nan 8.230 nan 0.000 0.457 688 T N 2.631 116.953 114.554 -0.385 0.000 2.779 688 T HA 0.444 4.787 4.350 -0.012 0.000 0.280 688 T C -0.389 174.139 174.700 -0.286 0.000 0.987 688 T CA -0.262 61.554 62.100 -0.472 0.000 0.966 688 T CB 1.459 69.820 68.868 -0.844 0.000 0.933 688 T HN 0.347 nan 8.240 nan 0.000 0.442 689 I N 3.176 123.682 120.570 -0.107 0.000 2.312 689 I HA 0.696 4.858 4.170 -0.012 0.000 0.290 689 I C 0.129 176.374 176.117 0.213 0.000 1.008 689 I CA 0.099 61.460 61.300 0.102 0.000 1.226 689 I CB 0.239 38.249 38.000 0.016 0.000 1.371 689 I HN 0.769 nan 8.210 nan 0.000 0.468 690 G N 4.034 113.037 108.800 0.338 0.000 2.677 690 G HA2 0.467 4.420 3.960 -0.012 0.000 0.291 690 G HA3 0.467 4.420 3.960 -0.012 0.000 0.291 690 G C -0.864 173.969 174.900 -0.110 0.000 1.435 690 G CA -0.477 44.736 45.100 0.189 0.000 0.826 690 G HN 0.573 nan 8.290 nan 0.000 0.491 691 T N -1.138 113.216 114.554 -0.333 0.000 2.849 691 T HA 0.483 4.826 4.350 -0.012 0.000 0.284 691 T C 0.775 175.365 174.700 -0.184 0.000 1.004 691 T CA -0.687 61.144 62.100 -0.448 0.000 1.021 691 T CB 1.089 69.706 68.868 -0.418 0.000 1.013 691 T HN 0.251 nan 8.240 nan 0.000 0.527 692 M N 2.881 122.381 119.600 -0.166 0.000 3.442 692 M HA 0.314 4.787 4.480 -0.012 0.000 0.232 692 M C -0.423 175.826 176.300 -0.085 0.000 1.508 692 M CA -0.025 55.212 55.300 -0.105 0.000 1.647 692 M CB -1.801 30.744 32.600 -0.092 0.000 1.126 692 M HN 0.732 nan 8.290 nan 0.000 0.557 693 D N -0.043 120.314 120.400 -0.072 0.000 2.671 693 D HA 0.670 5.303 4.640 -0.012 0.000 0.232 693 D C 0.713 176.992 176.300 -0.034 0.000 1.114 693 D CA 0.717 54.688 54.000 -0.048 0.000 0.858 693 D CB 1.728 42.501 40.800 -0.046 0.000 1.544 693 D HN 0.597 nan 8.370 nan 0.000 0.471 694 G N 1.827 110.616 108.800 -0.019 0.000 2.627 694 G HA2 -0.261 3.692 3.960 -0.012 0.000 0.312 694 G HA3 -0.261 3.692 3.960 -0.012 0.000 0.312 694 G C 1.047 175.940 174.900 -0.012 0.000 1.299 694 G CA 1.131 46.223 45.100 -0.012 0.000 0.989 694 G HN 1.078 nan 8.290 nan 0.000 0.547 695 A N -0.291 122.517 122.820 -0.020 0.000 2.168 695 A HA 0.097 4.410 4.320 -0.012 0.000 0.215 695 A C 2.111 179.633 177.584 -0.103 0.000 1.152 695 A CA 1.832 53.851 52.037 -0.029 0.000 0.716 695 A CB -0.459 18.515 19.000 -0.044 0.000 0.794 695 A HN 0.626 nan 8.150 nan 0.000 0.465 696 N N 0.603 119.251 118.700 -0.087 0.000 2.094 696 N HA -0.164 4.569 4.740 -0.012 0.000 0.191 696 N C 1.609 176.986 175.510 -0.221 0.000 1.023 696 N CA 1.649 54.642 53.050 -0.094 0.000 0.857 696 N CB -0.680 37.806 38.487 -0.002 0.000 1.013 696 N HN 0.286 nan 8.380 nan 0.000 0.426 697 V N 1.264 121.093 119.914 -0.140 0.000 2.287 697 V HA -0.233 3.880 4.120 -0.012 0.000 0.248 697 V C 1.999 178.013 176.094 -0.134 0.000 1.053 697 V CA 1.768 63.984 62.300 -0.140 0.000 1.027 697 V CB -0.516 31.263 31.823 -0.074 0.000 0.646 697 V HN 0.367 nan 8.190 nan 0.000 0.447 698 E N -0.652 119.525 120.200 -0.037 0.000 2.152 698 E HA -0.128 4.215 4.350 -0.012 0.000 0.192 698 E C 2.226 178.930 176.600 0.174 0.000 0.983 698 E CA 1.037 57.492 56.400 0.092 0.000 0.818 698 E CB -0.190 29.649 29.700 0.233 0.000 0.758 698 E HN 0.544 nan 8.360 nan 0.000 0.467 699 M N 0.513 120.108 119.600 -0.010 0.000 2.086 699 M HA -0.162 4.311 4.480 -0.012 0.000 0.261 699 M C 2.496 178.579 176.300 -0.362 0.000 1.067 699 M CA 1.587 56.810 55.300 -0.129 0.000 1.116 699 M CB -0.219 32.194 32.600 -0.311 0.000 1.348 699 M HN 0.141 nan 8.290 nan 0.000 0.407 700 A N -0.153 122.167 122.820 -0.834 0.000 1.933 700 A HA -0.210 4.103 4.320 -0.012 0.000 0.218 700 A C 2.001 179.400 177.584 -0.309 0.000 1.175 700 A CA 1.895 53.417 52.037 -0.858 0.000 0.628 700 A CB -0.799 17.677 19.000 -0.873 0.000 0.814 700 A HN 0.584 nan 8.150 nan 0.000 0.444 701 E N -0.363 119.720 120.200 -0.194 0.000 2.077 701 E HA -0.226 4.116 4.350 -0.012 0.000 0.193 701 E C 1.784 178.357 176.600 -0.045 0.000 0.989 701 E CA 1.332 57.678 56.400 -0.090 0.000 0.800 701 E CB -0.072 29.593 29.700 -0.058 0.000 0.746 701 E HN 0.558 nan 8.360 nan 0.000 0.452 702 E N 0.096 120.296 120.200 -0.000 0.000 2.047 702 E HA -0.128 4.215 4.350 -0.012 0.000 0.191 702 E C 1.878 178.500 176.600 0.037 0.000 0.987 702 E CA 1.145 57.566 56.400 0.035 0.000 0.799 702 E CB -0.229 29.542 29.700 0.117 0.000 0.752 702 E HN 0.360 nan 8.360 nan 0.000 0.449 703 A N 0.430 123.278 122.820 0.047 0.000 2.072 703 A HA 0.312 4.624 4.320 -0.012 0.000 0.216 703 A C 1.070 178.670 177.584 0.027 0.000 1.156 703 A CA 1.112 53.190 52.037 0.067 0.000 0.701 703 A CB -0.115 18.979 19.000 0.157 0.000 0.816 703 A HN 0.262 nan 8.150 nan 0.000 0.458 704 G N -0.590 108.203 108.800 -0.013 0.000 3.039 704 G HA2 -0.113 3.839 3.960 -0.012 0.000 0.686 704 G HA3 -0.113 3.839 3.960 -0.012 0.000 0.686 704 G C 0.002 174.887 174.900 -0.026 0.000 1.066 704 G CA 0.007 45.092 45.100 -0.025 0.000 0.774 704 G HN 0.276 nan 8.290 nan 0.000 0.591 705 E N 1.027 121.200 120.200 -0.045 0.000 2.209 705 E HA -0.162 4.180 4.350 -0.012 0.000 0.196 705 E C 2.037 178.622 176.600 -0.024 0.000 0.993 705 E CA 1.713 58.093 56.400 -0.034 0.000 0.819 705 E CB 0.065 29.741 29.700 -0.040 0.000 0.745 705 E HN 0.771 nan 8.360 nan 0.000 0.477 706 E N 0.704 120.877 120.200 -0.045 0.000 2.338 706 E HA -0.099 4.244 4.350 -0.012 0.000 0.197 706 E C 0.956 177.470 176.600 -0.143 0.000 1.007 706 E CA 0.655 57.006 56.400 -0.083 0.000 0.849 706 E CB -0.029 29.634 29.700 -0.061 0.000 0.774 706 E HN 0.151 nan 8.360 nan 0.000 0.506 707 N N -0.463 118.184 118.700 -0.088 0.000 2.238 707 N HA 0.149 4.882 4.740 -0.012 0.000 0.222 707 N C -0.985 174.471 175.510 -0.090 0.000 1.133 707 N CA 0.035 53.014 53.050 -0.118 0.000 0.854 707 N CB 0.446 38.912 38.487 -0.034 0.000 1.041 707 N HN 0.051 nan 8.380 nan 0.000 0.510 708 F N -0.266 119.496 119.950 -0.313 0.000 2.576 708 F HA 0.410 4.929 4.527 -0.013 0.000 0.313 708 F C -0.791 174.815 175.800 -0.324 0.000 1.078 708 F CA -1.096 56.765 58.000 -0.231 0.000 0.921 708 F CB 1.308 40.247 39.000 -0.103 0.000 1.232 708 F HN -0.213 nan 8.300 nan 0.000 0.459 709 F N 5.674 125.605 119.950 -0.032 0.000 2.384 709 F HA 0.412 4.932 4.527 -0.012 0.000 0.359 709 F C -0.074 175.848 175.800 0.203 0.000 1.143 709 F CA -0.326 57.707 58.000 0.054 0.000 1.216 709 F CB -0.064 38.919 39.000 -0.028 0.000 1.512 709 F HN 0.079 nan 8.300 nan 0.000 0.573 710 I N 4.149 124.920 120.570 0.335 0.000 2.396 710 I HA 0.379 4.542 4.170 -0.012 0.000 0.292 710 I C -0.270 176.032 176.117 0.309 0.000 0.999 710 I CA -0.652 60.816 61.300 0.281 0.000 1.310 710 I CB 0.829 38.924 38.000 0.158 0.000 1.404 710 I HN 0.336 nan 8.210 nan 0.000 0.496 711 F N 3.677 123.696 119.950 0.116 0.000 2.685 711 F HA 0.934 5.453 4.527 -0.013 0.000 0.315 711 F C 0.028 175.870 175.800 0.070 0.000 1.126 711 F CA -0.612 57.444 58.000 0.094 0.000 0.950 711 F CB 1.029 40.098 39.000 0.115 0.000 1.360 711 F HN 0.770 nan 8.300 nan 0.000 0.469 712 G N 1.096 109.969 108.800 0.121 0.000 2.728 712 G HA2 -0.085 3.868 3.960 -0.012 0.000 0.294 712 G HA3 -0.085 3.868 3.960 -0.012 0.000 0.294 712 G C -0.909 173.967 174.900 -0.039 0.000 1.342 712 G CA -0.625 44.487 45.100 0.020 0.000 0.866 712 G HN 0.957 nan 8.290 nan 0.000 0.534 713 M N 0.955 120.541 119.600 -0.024 0.000 2.248 713 M HA 0.223 4.696 4.480 -0.012 0.000 0.345 713 M C 1.231 177.499 176.300 -0.054 0.000 1.243 713 M CA 0.005 55.297 55.300 -0.013 0.000 1.090 713 M CB 0.328 32.929 32.600 0.002 0.000 1.683 713 M HN 0.517 nan 8.290 nan 0.000 0.450 714 R N 1.817 122.298 120.500 -0.031 0.000 2.541 714 R HA 0.245 4.578 4.340 -0.012 0.000 0.263 714 R C 1.221 177.505 176.300 -0.027 0.000 1.112 714 R CA -0.531 55.546 56.100 -0.039 0.000 1.170 714 R CB -0.047 30.237 30.300 -0.027 0.000 1.167 714 R HN 0.570 nan 8.270 nan 0.000 0.582 715 V N 1.497 121.393 119.914 -0.029 0.000 2.324 715 V HA -0.277 3.835 4.120 -0.012 0.000 0.250 715 V C 1.906 177.992 176.094 -0.013 0.000 1.060 715 V CA 2.068 64.355 62.300 -0.022 0.000 1.042 715 V CB -0.484 31.324 31.823 -0.025 0.000 0.650 715 V HN 0.632 nan 8.190 nan 0.000 0.450 716 E N 0.074 120.268 120.200 -0.011 0.000 2.110 716 E HA -0.184 4.159 4.350 -0.012 0.000 0.193 716 E C 1.969 178.575 176.600 0.009 0.000 0.988 716 E CA 1.371 57.770 56.400 -0.003 0.000 0.804 716 E CB -0.339 29.360 29.700 -0.003 0.000 0.745 716 E HN 0.625 nan 8.360 nan 0.000 0.458 717 D N -0.174 120.233 120.400 0.013 0.000 2.144 717 D HA -0.097 4.536 4.640 -0.012 0.000 0.200 717 D C 1.962 178.282 176.300 0.033 0.000 0.978 717 D CA 0.808 54.826 54.000 0.030 0.000 0.833 717 D CB -0.044 40.778 40.800 0.035 0.000 0.961 717 D HN 0.069 nan 8.370 nan 0.000 0.470 718 V N 1.813 121.735 119.914 0.013 0.000 2.358 718 V HA -0.206 3.907 4.120 -0.012 0.000 0.246 718 V C 1.952 178.052 176.094 0.010 0.000 1.047 718 V CA 1.631 63.933 62.300 0.003 0.000 1.035 718 V CB -0.403 31.412 31.823 -0.014 0.000 0.658 718 V HN 0.017 nan 8.190 nan 0.000 0.452 719 D N 0.029 120.434 120.400 0.008 0.000 2.123 719 D HA -0.155 4.478 4.640 -0.012 0.000 0.196 719 D C 2.418 178.732 176.300 0.024 0.000 0.992 719 D CA 1.277 55.282 54.000 0.009 0.000 0.833 719 D CB -0.267 40.534 40.800 0.002 0.000 0.954 719 D HN 0.369 nan 8.370 nan 0.000 0.455 720 R N 0.069 120.588 120.500 0.032 0.000 2.081 720 R HA -0.028 4.305 4.340 -0.012 0.000 0.235 720 R C 2.500 178.839 176.300 0.064 0.000 1.131 720 R CA 0.533 56.659 56.100 0.044 0.000 0.960 720 R CB -0.362 29.967 30.300 0.047 0.000 0.856 720 R HN 0.205 nan 8.270 nan 0.000 0.436 721 L N 0.612 121.884 121.223 0.081 0.000 2.093 721 L HA -0.188 4.144 4.340 -0.012 0.000 0.208 721 L C 1.452 178.393 176.870 0.117 0.000 1.085 721 L CA 1.288 56.204 54.840 0.126 0.000 0.755 721 L CB -0.232 41.922 42.059 0.158 0.000 0.904 721 L HN 0.218 nan 8.230 nan 0.000 0.435 722 D N -0.534 119.909 120.400 0.072 0.000 2.144 722 D HA -0.195 4.437 4.640 -0.012 0.000 0.200 722 D C 2.216 178.548 176.300 0.055 0.000 0.978 722 D CA 1.046 55.081 54.000 0.058 0.000 0.833 722 D CB 0.013 40.827 40.800 0.022 0.000 0.961 722 D HN 0.422 nan 8.370 nan 0.000 0.470 723 Q N 0.006 119.834 119.800 0.047 0.000 2.119 723 Q HA -0.088 4.245 4.340 -0.012 0.000 0.201 723 Q C 2.233 178.261 176.000 0.047 0.000 0.972 723 Q CA 0.821 56.648 55.803 0.039 0.000 0.847 723 Q CB 0.066 28.823 28.738 0.032 0.000 0.903 723 Q HN 0.139 nan 8.270 nan 0.000 0.433 724 R N -0.247 120.289 120.500 0.060 0.000 2.090 724 R HA -0.001 4.332 4.340 -0.012 0.000 0.228 724 R C -0.061 176.281 176.300 0.070 0.000 1.110 724 R CA 0.947 57.085 56.100 0.062 0.000 0.973 724 R CB 0.211 30.556 30.300 0.075 0.000 0.869 724 R HN 0.274 nan 8.270 nan 0.000 0.440 725 G N -0.212 108.644 108.800 0.094 0.000 3.355 725 G HA2 -0.257 3.696 3.960 -0.012 0.000 0.686 725 G HA3 -0.257 3.696 3.960 -0.012 0.000 0.686 725 G C -1.360 173.637 174.900 0.161 0.000 1.097 725 G CA -0.360 44.804 45.100 0.108 0.000 0.881 725 G HN 0.282 nan 8.290 nan 0.000 0.550 726 Y N 3.319 123.656 120.300 0.063 0.000 2.480 726 Y HA 0.583 5.126 4.550 -0.012 0.000 0.341 726 Y C 0.231 176.191 175.900 0.101 0.000 1.031 726 Y CA -1.077 57.080 58.100 0.095 0.000 1.295 726 Y CB 1.093 39.592 38.460 0.065 0.000 1.162 726 Y HN 0.592 nan 8.280 nan 0.000 0.523 727 N N 4.914 123.406 118.700 -0.347 0.000 2.564 727 N HA 0.332 5.065 4.740 -0.012 0.000 0.248 727 N C 0.254 175.516 175.510 -0.415 0.000 0.986 727 N CA 0.265 53.118 53.050 -0.328 0.000 0.921 727 N CB 1.254 39.670 38.487 -0.118 0.000 1.136 727 N HN 0.800 nan 8.380 nan 0.000 0.509 728 A N 2.881 125.363 122.820 -0.565 0.000 1.972 728 A HA -0.181 4.132 4.320 -0.012 0.000 0.219 728 A C 1.860 179.561 177.584 0.196 0.000 1.169 728 A CA 1.383 53.306 52.037 -0.190 0.000 0.635 728 A CB -0.394 18.413 19.000 -0.321 0.000 0.810 728 A HN 0.697 nan 8.150 nan 0.000 0.446 729 Q N 0.241 120.052 119.800 0.019 0.000 2.152 729 Q HA -0.239 4.094 4.340 -0.012 0.000 0.206 729 Q C 1.885 177.957 176.000 0.121 0.000 0.985 729 Q CA 2.294 58.133 55.803 0.060 0.000 0.863 729 Q CB -0.357 28.369 28.738 -0.020 0.000 0.904 729 Q HN 0.782 nan 8.270 nan 0.000 0.422 730 E N -1.402 118.809 120.200 0.018 0.000 2.070 730 E HA -0.248 4.095 4.350 -0.012 0.000 0.197 730 E C 1.599 178.134 176.600 -0.109 0.000 1.004 730 E CA 1.567 57.905 56.400 -0.103 0.000 0.805 730 E CB -0.235 29.300 29.700 -0.275 0.000 0.744 730 E HN 0.592 nan 8.360 nan 0.000 0.451 731 Y N -1.092 119.274 120.300 0.109 0.000 2.200 731 Y HA -0.207 4.335 4.550 -0.012 0.000 0.290 731 Y C 2.242 178.142 175.900 -0.001 0.000 1.137 731 Y CA 1.496 59.648 58.100 0.086 0.000 1.163 731 Y CB -0.722 37.840 38.460 0.170 0.000 0.988 731 Y HN 0.231 nan 8.280 nan 0.000 0.518 732 Y N 1.418 121.754 120.300 0.059 0.000 2.165 732 Y HA -0.299 4.243 4.550 -0.012 0.000 0.286 732 Y C 1.851 177.722 175.900 -0.049 0.000 1.155 732 Y CA 1.959 60.020 58.100 -0.065 0.000 1.164 732 Y CB -0.403 38.072 38.460 0.025 0.000 0.978 732 Y HN 0.088 nan 8.280 nan 0.000 0.513 733 D N -0.427 120.065 120.400 0.152 0.000 2.178 733 D HA -0.097 4.536 4.640 -0.012 0.000 0.202 733 D C 1.849 178.126 176.300 -0.040 0.000 0.974 733 D CA 1.248 55.282 54.000 0.056 0.000 0.841 733 D CB -0.102 40.749 40.800 0.085 0.000 0.953 733 D HN 0.490 nan 8.370 nan 0.000 0.478 734 R N -0.313 120.164 120.500 -0.038 0.000 2.334 734 R HA 0.290 4.622 4.340 -0.012 0.000 0.212 734 R C 0.322 176.602 176.300 -0.034 0.000 0.897 734 R CA 0.052 56.129 56.100 -0.037 0.000 1.056 734 R CB 1.180 31.457 30.300 -0.038 0.000 1.046 734 R HN 0.134 nan 8.270 nan 0.000 0.513 735 I N 2.271 122.803 120.570 -0.063 0.000 2.428 735 I HA 0.226 4.389 4.170 -0.012 0.000 0.279 735 I C -1.944 174.082 176.117 -0.150 0.000 1.040 735 I CA -2.327 58.939 61.300 -0.057 0.000 1.171 735 I CB 2.093 40.094 38.000 0.002 0.000 1.312 735 I HN -0.281 nan 8.210 nan 0.000 0.470 736 P HA -0.155 nan 4.420 nan 0.000 0.216 736 P C 1.202 178.411 177.300 -0.152 0.000 1.150 736 P CA 1.332 64.344 63.100 -0.147 0.000 0.837 736 P CB 0.312 31.957 31.700 -0.090 0.000 0.786 737 E N -0.999 119.148 120.200 -0.089 0.000 2.110 737 E HA -0.162 4.181 4.350 -0.012 0.000 0.193 737 E C 1.849 178.354 176.600 -0.158 0.000 0.988 737 E CA 0.682 57.045 56.400 -0.062 0.000 0.804 737 E CB -0.560 29.175 29.700 0.057 0.000 0.745 737 E HN 0.116 nan 8.360 nan 0.000 0.458 738 L N 1.153 122.194 121.223 -0.304 0.000 2.072 738 L HA -0.117 4.216 4.340 -0.012 0.000 0.205 738 L C 2.351 178.952 176.870 -0.447 0.000 1.079 738 L CA 1.572 56.066 54.840 -0.578 0.000 0.752 738 L CB -0.284 41.273 42.059 -0.836 0.000 0.906 738 L HN -0.090 nan 8.230 nan 0.000 0.436 739 R N -0.830 119.386 120.500 -0.473 0.000 2.091 739 R HA -0.250 4.083 4.340 -0.012 0.000 0.238 739 R C 2.392 178.528 176.300 -0.273 0.000 1.136 739 R CA 2.024 57.772 56.100 -0.587 0.000 0.959 739 R CB -0.353 29.518 30.300 -0.715 0.000 0.856 739 R HN 0.596 nan 8.270 nan 0.000 0.437 740 Q N 0.409 120.084 119.800 -0.210 0.000 2.061 740 Q HA -0.204 4.129 4.340 -0.012 0.000 0.204 740 Q C 2.063 178.008 176.000 -0.091 0.000 0.984 740 Q CA 2.121 57.844 55.803 -0.134 0.000 0.846 740 Q CB -0.133 28.529 28.738 -0.127 0.000 0.902 740 Q HN 0.473 nan 8.270 nan 0.000 0.421 741 I N 0.547 121.062 120.570 -0.093 0.000 2.179 741 I HA -0.287 3.876 4.170 -0.012 0.000 0.242 741 I C 2.135 178.273 176.117 0.035 0.000 1.088 741 I CA 0.642 61.927 61.300 -0.026 0.000 1.357 741 I CB -0.294 37.665 38.000 -0.068 0.000 1.051 741 I HN 0.299 nan 8.210 nan 0.000 0.409 742 I N 0.802 121.391 120.570 0.032 0.000 2.226 742 I HA -0.242 3.920 4.170 -0.012 0.000 0.245 742 I C 2.447 178.662 176.117 0.163 0.000 1.100 742 I CA 1.682 63.069 61.300 0.146 0.000 1.374 742 I CB -1.295 36.878 38.000 0.289 0.000 1.057 742 I HN 0.349 nan 8.210 nan 0.000 0.413 743 E N 0.338 120.614 120.200 0.127 0.000 2.106 743 E HA -0.230 4.113 4.350 -0.012 0.000 0.192 743 E C 2.190 178.852 176.600 0.103 0.000 0.984 743 E CA 0.912 57.380 56.400 0.112 0.000 0.806 743 E CB -0.101 29.636 29.700 0.063 0.000 0.750 743 E HN 0.566 nan 8.360 nan 0.000 0.458 744 Q N 0.446 120.290 119.800 0.074 0.000 2.050 744 Q HA -0.151 4.182 4.340 -0.012 0.000 0.202 744 Q C 2.353 178.532 176.000 0.298 0.000 0.980 744 Q CA 1.075 56.939 55.803 0.102 0.000 0.840 744 Q CB -0.070 28.657 28.738 -0.018 0.000 0.898 744 Q HN 0.301 nan 8.270 nan 0.000 0.424 745 L N -0.050 121.354 121.223 0.302 0.000 2.017 745 L HA -0.205 4.128 4.340 -0.012 0.000 0.208 745 L C 2.460 179.513 176.870 0.305 0.000 1.073 745 L CA 1.094 56.131 54.840 0.328 0.000 0.745 745 L CB -0.394 41.775 42.059 0.182 0.000 0.894 745 L HN 0.154 nan 8.230 nan 0.000 0.432 746 S N -0.344 115.489 115.700 0.223 0.000 2.383 746 S HA -0.151 4.312 4.470 -0.012 0.000 0.227 746 S C 2.111 176.812 174.600 0.168 0.000 1.026 746 S CA 1.488 59.798 58.200 0.184 0.000 0.981 746 S CB -0.231 63.057 63.200 0.147 0.000 0.818 746 S HN 0.609 nan 8.310 nan 0.000 0.472 747 S N 0.499 116.300 115.700 0.169 0.000 2.489 747 S HA 0.298 4.761 4.470 -0.012 0.000 0.228 747 S C 1.454 176.144 174.600 0.150 0.000 0.995 747 S CA 0.744 59.029 58.200 0.142 0.000 0.934 747 S CB -0.127 63.149 63.200 0.128 0.000 0.771 747 S HN 0.850 nan 8.310 nan 0.000 0.522 748 G N 0.454 109.376 108.800 0.203 0.000 2.135 748 G HA2 -0.245 3.708 3.960 -0.012 0.000 0.183 748 G HA3 -0.245 3.708 3.960 -0.012 0.000 0.183 748 G C 0.134 175.130 174.900 0.161 0.000 1.004 748 G CA 0.062 45.273 45.100 0.184 0.000 0.677 748 G HN 0.476 nan 8.290 nan 0.000 0.512 749 F N 0.225 120.184 119.950 0.016 0.000 2.171 749 F HA 0.198 4.717 4.527 -0.012 0.000 0.300 749 F C 1.864 177.469 175.800 -0.325 0.000 1.090 749 F CA 1.910 59.792 58.000 -0.196 0.000 1.293 749 F CB -0.010 38.791 39.000 -0.332 0.000 1.013 749 F HN 0.185 nan 8.300 nan 0.000 0.486 750 F N -0.446 119.640 119.950 0.227 0.000 2.695 750 F HA 0.205 4.725 4.527 -0.012 0.000 0.303 750 F C 0.573 176.485 175.800 0.186 0.000 1.091 750 F CA 0.196 58.287 58.000 0.151 0.000 1.300 750 F CB -0.052 39.046 39.000 0.164 0.000 1.071 750 F HN -0.051 nan 8.300 nan 0.000 0.578 751 S N -1.732 114.117 115.700 0.248 0.000 2.564 751 S HA 0.314 4.777 4.470 -0.012 0.000 0.141 751 S C -2.542 172.077 174.600 0.032 0.000 1.474 751 S CA -0.992 57.274 58.200 0.110 0.000 1.236 751 S CB 0.960 64.173 63.200 0.022 0.000 1.481 751 S HN -0.183 nan 8.310 nan 0.000 0.397 752 P HA -0.006 nan 4.420 nan 0.000 0.217 752 P C 1.063 178.352 177.300 -0.017 0.000 1.150 752 P CA 1.093 64.172 63.100 -0.034 0.000 0.832 752 P CB 0.105 31.758 31.700 -0.079 0.000 0.787 753 K N -0.977 119.414 120.400 -0.016 0.000 2.296 753 K HA 0.006 4.318 4.320 -0.012 0.000 0.200 753 K C 0.692 177.289 176.600 -0.005 0.000 1.048 753 K CA 0.807 57.088 56.287 -0.010 0.000 0.966 753 K CB 0.018 32.513 32.500 -0.008 0.000 0.754 753 K HN 0.288 nan 8.250 nan 0.000 0.466 754 Q N -0.084 119.710 119.800 -0.010 0.000 2.907 754 Q HA 0.160 4.493 4.340 -0.012 0.000 0.262 754 Q C -2.371 173.618 176.000 -0.018 0.000 0.997 754 Q CA -1.686 54.107 55.803 -0.017 0.000 0.797 754 Q CB 1.515 30.235 28.738 -0.029 0.000 1.228 754 Q HN -0.077 nan 8.270 nan 0.000 0.466 755 P HA -0.211 nan 4.420 nan 0.000 0.218 755 P C 0.578 177.908 177.300 0.051 0.000 1.148 755 P CA 1.421 64.545 63.100 0.039 0.000 0.822 755 P CB 0.206 31.930 31.700 0.041 0.000 0.784 756 D N -1.290 119.126 120.400 0.026 0.000 2.388 756 D HA 0.005 4.638 4.640 -0.012 0.000 0.221 756 D C 1.517 177.815 176.300 -0.004 0.000 1.133 756 D CA -0.294 53.729 54.000 0.039 0.000 0.831 756 D CB -0.600 40.225 40.800 0.042 0.000 0.962 756 D HN 0.020 nan 8.370 nan 0.000 0.502 757 L N -0.188 120.966 121.223 -0.115 0.000 2.079 757 L HA -0.006 4.327 4.340 -0.012 0.000 0.210 757 L C 1.139 177.809 176.870 -0.332 0.000 1.081 757 L CA 1.643 56.302 54.840 -0.302 0.000 0.752 757 L CB -0.578 41.122 42.059 -0.599 0.000 0.896 757 L HN -0.009 nan 8.230 nan 0.000 0.433 758 F N -0.576 119.430 119.950 0.093 0.000 2.668 758 F HA 0.133 4.653 4.527 -0.012 0.000 0.297 758 F C 1.860 177.710 175.800 0.084 0.000 1.124 758 F CA -0.162 57.882 58.000 0.073 0.000 1.353 758 F CB -0.300 38.731 39.000 0.052 0.000 0.992 758 F HN 0.104 nan 8.300 nan 0.000 0.524 759 K N -0.315 120.202 120.400 0.196 0.000 2.097 759 K HA -0.183 4.130 4.320 -0.012 0.000 0.206 759 K C 0.971 177.669 176.600 0.165 0.000 1.049 759 K CA 1.975 58.359 56.287 0.162 0.000 0.933 759 K CB -0.243 32.329 32.500 0.119 0.000 0.717 759 K HN 0.061 nan 8.250 nan 0.000 0.442 760 D N 1.264 121.776 120.400 0.186 0.000 2.144 760 D HA -0.084 4.548 4.640 -0.012 0.000 0.199 760 D C 2.028 178.431 176.300 0.171 0.000 0.984 760 D CA 1.128 55.251 54.000 0.203 0.000 0.834 760 D CB -0.108 40.856 40.800 0.272 0.000 0.955 760 D HN 0.314 nan 8.370 nan 0.000 0.465 761 I N 0.344 121.014 120.570 0.167 0.000 2.202 761 I HA -0.211 3.952 4.170 -0.012 0.000 0.242 761 I C 2.405 178.556 176.117 0.057 0.000 1.091 761 I CA 0.575 61.938 61.300 0.104 0.000 1.368 761 I CB -0.223 37.836 38.000 0.099 0.000 1.058 761 I HN -0.113 nan 8.210 nan 0.000 0.410 762 V N 1.266 121.235 119.914 0.093 0.000 2.287 762 V HA -0.313 3.800 4.120 -0.012 0.000 0.248 762 V C 2.266 178.357 176.094 -0.005 0.000 1.053 762 V CA 2.435 64.775 62.300 0.065 0.000 1.027 762 V CB -1.006 30.884 31.823 0.110 0.000 0.646 762 V HN 0.483 nan 8.190 nan 0.000 0.447 763 N N -0.108 118.616 118.700 0.041 0.000 2.104 763 N HA -0.219 4.514 4.740 -0.012 0.000 0.190 763 N C 1.842 177.221 175.510 -0.218 0.000 1.024 763 N CA 1.914 54.997 53.050 0.054 0.000 0.853 763 N CB -0.302 38.289 38.487 0.172 0.000 1.008 763 N HN 0.350 nan 8.380 nan 0.000 0.424 764 M N -0.272 119.161 119.600 -0.279 0.000 2.086 764 M HA -0.099 4.373 4.480 -0.012 0.000 0.261 764 M C 1.431 177.483 176.300 -0.413 0.000 1.067 764 M CA 1.254 56.219 55.300 -0.559 0.000 1.116 764 M CB -0.653 31.889 32.600 -0.097 0.000 1.348 764 M HN 0.205 nan 8.290 nan 0.000 0.407 765 L N 0.767 121.819 121.223 -0.285 0.000 2.042 765 L HA -0.214 4.118 4.340 -0.012 0.000 0.210 765 L C 2.452 178.973 176.870 -0.580 0.000 1.076 765 L CA 1.689 56.276 54.840 -0.422 0.000 0.749 765 L CB -1.135 40.734 42.059 -0.316 0.000 0.893 765 L HN 0.351 nan 8.230 nan 0.000 0.432 766 M N -2.078 117.244 119.600 -0.464 0.000 2.288 766 M HA -0.061 4.412 4.480 -0.012 0.000 0.266 766 M C 1.765 177.646 176.300 -0.698 0.000 1.072 766 M CA 1.366 56.311 55.300 -0.593 0.000 1.132 766 M CB -0.723 31.456 32.600 -0.703 0.000 1.386 766 M HN 0.340 nan 8.290 nan 0.000 0.432 767 H N -1.969 116.967 119.070 -0.224 0.000 3.266 767 H HA 0.192 4.741 4.556 -0.012 0.000 0.246 767 H C 0.086 175.409 175.328 -0.008 0.000 0.998 767 H CA 0.613 56.600 56.048 -0.103 0.000 1.152 767 H CB 0.343 30.107 29.762 0.004 0.000 1.466 767 H HN 0.557 nan 8.280 nan 0.000 0.481 768 H N -1.225 117.904 119.070 0.099 0.000 2.947 768 H HA 0.274 4.823 4.556 -0.012 0.000 0.222 768 H C -1.151 174.202 175.328 0.042 0.000 1.414 768 H CA -0.612 55.481 56.048 0.075 0.000 1.224 768 H CB 0.003 29.809 29.762 0.073 0.000 2.100 768 H HN -0.123 nan 8.280 nan 0.000 0.524 769 D N 1.408 121.826 120.400 0.030 0.000 2.411 769 D HA 0.136 4.769 4.640 -0.012 0.000 0.225 769 D C 0.882 177.129 176.300 -0.089 0.000 1.156 769 D CA -0.456 53.541 54.000 -0.006 0.000 0.874 769 D CB 0.754 41.527 40.800 -0.044 0.000 1.034 769 D HN 0.461 nan 8.370 nan 0.000 0.502 770 R N 2.309 122.668 120.500 -0.235 0.000 2.237 770 R HA -0.044 4.289 4.340 -0.012 0.000 0.219 770 R C 0.553 176.381 176.300 -0.785 0.000 1.080 770 R CA 0.899 56.649 56.100 -0.583 0.000 0.995 770 R CB 0.098 29.847 30.300 -0.919 0.000 0.875 770 R HN 0.415 nan 8.270 nan 0.000 0.462 771 F N 0.081 119.989 119.950 -0.070 0.000 2.688 771 F HA 0.280 4.800 4.527 -0.012 0.000 0.310 771 F C 0.040 175.723 175.800 -0.195 0.000 1.098 771 F CA -0.705 57.244 58.000 -0.085 0.000 1.228 771 F CB 0.306 39.320 39.000 0.023 0.000 1.042 771 F HN -0.252 nan 8.300 nan 0.000 0.557 772 K N -0.335 119.885 120.400 -0.300 0.000 3.150 772 K HA -0.173 4.140 4.320 -0.012 0.000 0.267 772 K C 0.978 177.469 176.600 -0.182 0.000 1.028 772 K CA 0.213 56.144 56.287 -0.593 0.000 0.753 772 K CB -1.889 30.199 32.500 -0.687 0.000 1.288 772 K HN 0.204 nan 8.250 nan 0.000 0.473 773 V N -0.016 119.871 119.914 -0.045 0.000 2.282 773 V HA -0.295 3.818 4.120 -0.012 0.000 0.249 773 V C 1.948 178.191 176.094 0.247 0.000 1.057 773 V CA 2.374 64.727 62.300 0.089 0.000 1.032 773 V CB -0.496 31.384 31.823 0.094 0.000 0.645 773 V HN 0.486 nan 8.190 nan 0.000 0.447 774 F N 0.150 120.103 119.950 0.005 0.000 2.216 774 F HA -0.183 4.336 4.527 -0.012 0.000 0.300 774 F C 2.501 178.086 175.800 -0.358 0.000 1.085 774 F CA 0.637 58.583 58.000 -0.090 0.000 1.326 774 F CB -0.353 38.615 39.000 -0.053 0.000 1.027 774 F HN 0.199 nan 8.300 nan 0.000 0.497 775 A N -0.576 122.083 122.820 -0.267 0.000 2.019 775 A HA -0.185 4.127 4.320 -0.012 0.000 0.219 775 A C 1.432 179.000 177.584 -0.027 0.000 1.164 775 A CA 1.801 53.586 52.037 -0.419 0.000 0.644 775 A CB -0.424 18.491 19.000 -0.143 0.000 0.805 775 A HN 0.223 nan 8.150 nan 0.000 0.449 776 D N -2.824 117.625 120.400 0.082 0.000 2.369 776 D HA 0.095 4.728 4.640 -0.012 0.000 0.211 776 D C 1.133 177.588 176.300 0.257 0.000 1.077 776 D CA -0.056 54.068 54.000 0.206 0.000 0.842 776 D CB -0.105 40.835 40.800 0.233 0.000 0.947 776 D HN 0.587 nan 8.370 nan 0.000 0.509 777 Y N 2.066 122.435 120.300 0.116 0.000 2.097 777 Y HA -0.206 4.337 4.550 -0.012 0.000 0.282 777 Y C 2.069 178.040 175.900 0.119 0.000 1.152 777 Y CA 1.862 60.037 58.100 0.125 0.000 1.136 777 Y CB 0.195 38.692 38.460 0.062 0.000 0.975 777 Y HN -0.113 nan 8.280 nan 0.000 0.498 778 E N 0.004 120.257 120.200 0.088 0.000 2.058 778 E HA -0.245 4.097 4.350 -0.012 0.000 0.194 778 E C 2.172 178.734 176.600 -0.062 0.000 0.997 778 E CA 1.589 57.974 56.400 -0.026 0.000 0.801 778 E CB -0.186 29.600 29.700 0.144 0.000 0.746 778 E HN 0.637 nan 8.360 nan 0.000 0.450 779 E N -0.170 120.069 120.200 0.064 0.000 2.110 779 E HA -0.201 4.142 4.350 -0.012 0.000 0.193 779 E C 1.932 178.517 176.600 -0.025 0.000 0.988 779 E CA 0.774 57.235 56.400 0.101 0.000 0.804 779 E CB -0.132 29.723 29.700 0.257 0.000 0.745 779 E HN 0.261 nan 8.360 nan 0.000 0.458 780 Y N 1.286 121.381 120.300 -0.342 0.000 2.114 780 Y HA -0.230 4.313 4.550 -0.012 0.000 0.284 780 Y C 2.162 177.663 175.900 -0.665 0.000 1.143 780 Y CA 1.047 58.625 58.100 -0.870 0.000 1.135 780 Y CB -0.529 37.460 38.460 -0.785 0.000 0.980 780 Y HN -0.206 nan 8.280 nan 0.000 0.499 781 V N 0.399 119.947 119.914 -0.610 0.000 2.343 781 V HA -0.305 3.808 4.120 -0.012 0.000 0.247 781 V C 2.360 178.221 176.094 -0.387 0.000 1.051 781 V CA 2.307 64.268 62.300 -0.565 0.000 1.036 781 V CB -0.684 30.833 31.823 -0.510 0.000 0.654 781 V HN 0.203 nan 8.190 nan 0.000 0.451 782 K N -0.457 119.782 120.400 -0.268 0.000 2.032 782 K HA -0.196 4.116 4.320 -0.012 0.000 0.209 782 K C 2.256 178.767 176.600 -0.147 0.000 1.048 782 K CA 1.936 58.134 56.287 -0.149 0.000 0.927 782 K CB -1.025 31.435 32.500 -0.067 0.000 0.712 782 K HN 0.544 nan 8.250 nan 0.000 0.441 783 C N 0.743 119.928 119.300 -0.191 0.000 2.429 783 C HA -0.082 4.371 4.460 -0.012 0.000 0.277 783 C C 2.456 177.282 174.990 -0.274 0.000 1.262 783 C CA 0.714 59.653 59.018 -0.131 0.000 1.733 783 C CB -0.732 26.949 27.740 -0.098 0.000 2.010 783 C HN 0.477 nan 8.230 nan 0.000 0.483 784 Q N 0.454 119.943 119.800 -0.518 0.000 2.170 784 Q HA -0.178 4.155 4.340 -0.012 0.000 0.203 784 Q C 1.969 177.783 176.000 -0.309 0.000 0.976 784 Q CA 1.639 57.099 55.803 -0.572 0.000 0.858 784 Q CB -0.396 27.755 28.738 -0.979 0.000 0.907 784 Q HN 0.762 nan 8.270 nan 0.000 0.433 785 E N 0.175 120.250 120.200 -0.208 0.000 2.106 785 E HA -0.129 4.214 4.350 -0.012 0.000 0.192 785 E C 2.072 178.641 176.600 -0.051 0.000 0.984 785 E CA 0.542 56.880 56.400 -0.103 0.000 0.806 785 E CB -0.019 29.638 29.700 -0.072 0.000 0.750 785 E HN 0.265 nan 8.360 nan 0.000 0.458 786 R N 0.474 120.958 120.500 -0.026 0.000 2.115 786 R HA -0.079 4.254 4.340 -0.012 0.000 0.230 786 R C 2.402 178.756 176.300 0.091 0.000 1.111 786 R CA 0.829 56.990 56.100 0.102 0.000 0.976 786 R CB -0.296 30.139 30.300 0.224 0.000 0.870 786 R HN 0.067 nan 8.270 nan 0.000 0.445 787 V N 0.672 120.441 119.914 -0.242 0.000 2.295 787 V HA -0.246 3.867 4.120 -0.012 0.000 0.246 787 V C 2.190 178.269 176.094 -0.026 0.000 1.049 787 V CA 2.019 64.058 62.300 -0.434 0.000 1.024 787 V CB -0.379 31.058 31.823 -0.644 0.000 0.648 787 V HN 0.286 nan 8.190 nan 0.000 0.447 788 S N 0.172 115.830 115.700 -0.070 0.000 2.382 788 S HA -0.167 4.295 4.470 -0.012 0.000 0.228 788 S C 2.212 176.867 174.600 0.091 0.000 1.027 788 S CA 1.370 59.559 58.200 -0.018 0.000 0.991 788 S CB -0.516 62.647 63.200 -0.061 0.000 0.823 788 S HN 0.651 nan 8.310 nan 0.000 0.469 789 A N 1.314 124.195 122.820 0.102 0.000 1.877 789 A HA -0.065 4.248 4.320 -0.012 0.000 0.216 789 A C 2.126 179.825 177.584 0.191 0.000 1.186 789 A CA 1.430 53.547 52.037 0.134 0.000 0.620 789 A CB -0.714 18.356 19.000 0.118 0.000 0.822 789 A HN 0.419 nan 8.150 nan 0.000 0.443 790 L N -2.071 119.327 121.223 0.290 0.000 2.141 790 L HA -0.074 4.259 4.340 -0.012 0.000 0.209 790 L C 2.236 179.367 176.870 0.435 0.000 1.094 790 L CA 1.824 56.907 54.840 0.404 0.000 0.763 790 L CB -0.699 41.712 42.059 0.587 0.000 0.908 790 L HN 0.504 nan 8.230 nan 0.000 0.437 791 Y N 0.192 120.595 120.300 0.171 0.000 2.352 791 Y HA -0.219 4.325 4.550 -0.011 0.000 0.292 791 Y C 2.286 178.112 175.900 -0.124 0.000 1.136 791 Y CA 1.533 59.485 58.100 -0.247 0.000 1.227 791 Y CB -0.073 38.043 38.460 -0.574 0.000 0.991 791 Y HN 0.159 nan 8.280 nan 0.000 0.545 792 K N -0.096 120.349 120.400 0.074 0.000 2.362 792 K HA -0.134 4.179 4.320 -0.012 0.000 0.200 792 K C 0.337 176.925 176.600 -0.020 0.000 1.046 792 K CA 0.745 57.057 56.287 0.042 0.000 0.952 792 K CB -0.082 32.481 32.500 0.105 0.000 0.753 792 K HN 0.049 nan 8.250 nan 0.000 0.466 793 N N 0.372 119.074 118.700 0.002 0.000 2.898 793 N HA 0.139 4.871 4.740 -0.012 0.000 0.245 793 N C -2.447 173.065 175.510 0.004 0.000 1.185 793 N CA -2.191 50.866 53.050 0.012 0.000 0.879 793 N CB 1.201 39.727 38.487 0.065 0.000 1.157 793 N HN -0.195 nan 8.380 nan 0.000 0.503 794 P HA -0.171 nan 4.420 nan 0.000 0.216 794 P C 1.392 178.705 177.300 0.021 0.000 1.153 794 P CA 1.099 64.129 63.100 -0.117 0.000 0.858 794 P CB 0.409 32.014 31.700 -0.158 0.000 0.789 795 R N 0.065 120.578 120.500 0.021 0.000 2.073 795 R HA -0.147 4.186 4.340 -0.012 0.000 0.234 795 R C 1.926 178.270 176.300 0.074 0.000 1.134 795 R CA 1.419 57.543 56.100 0.040 0.000 0.952 795 R CB -0.363 29.952 30.300 0.025 0.000 0.850 795 R HN 0.080 nan 8.270 nan 0.000 0.433 796 E N -0.055 120.199 120.200 0.090 0.000 2.152 796 E HA -0.207 4.136 4.350 -0.012 0.000 0.192 796 E C 1.593 178.274 176.600 0.135 0.000 0.983 796 E CA 0.557 57.014 56.400 0.095 0.000 0.818 796 E CB -0.418 29.335 29.700 0.089 0.000 0.758 796 E HN 0.510 nan 8.360 nan 0.000 0.467 797 W N 2.222 123.523 121.300 0.002 0.000 2.333 797 W HA -0.210 4.442 4.660 -0.013 0.000 0.316 797 W C 1.634 178.162 176.519 0.016 0.000 1.215 797 W CA 2.206 59.565 57.345 0.023 0.000 1.278 797 W CB -0.419 29.021 29.460 -0.033 0.000 1.154 797 W HN 0.038 nan 8.180 nan 0.000 0.486 798 T N 1.094 115.779 114.554 0.219 0.000 2.788 798 T HA -0.171 4.172 4.350 -0.012 0.000 0.268 798 T C 1.851 176.563 174.700 0.019 0.000 1.044 798 T CA 1.682 63.845 62.100 0.104 0.000 1.139 798 T CB -0.339 68.580 68.868 0.085 0.000 0.867 798 T HN 0.174 nan 8.240 nan 0.000 0.454 799 R N 0.426 120.944 120.500 0.031 0.000 2.096 799 R HA 0.061 4.394 4.340 -0.012 0.000 0.235 799 R C 2.504 178.796 176.300 -0.013 0.000 1.127 799 R CA 1.264 57.381 56.100 0.028 0.000 0.968 799 R CB -0.340 29.981 30.300 0.036 0.000 0.861 799 R HN 0.372 nan 8.270 nan 0.000 0.440 800 M N 0.419 119.974 119.600 -0.074 0.000 2.175 800 M HA -0.132 4.341 4.480 -0.012 0.000 0.264 800 M C 1.936 178.144 176.300 -0.153 0.000 1.063 800 M CA 1.328 56.547 55.300 -0.135 0.000 1.119 800 M CB 0.193 32.659 32.600 -0.222 0.000 1.377 800 M HN -0.018 nan 8.290 nan 0.000 0.415 801 V N 0.975 120.772 119.914 -0.195 0.000 2.287 801 V HA -0.320 3.792 4.120 -0.012 0.000 0.248 801 V C 2.216 178.293 176.094 -0.029 0.000 1.053 801 V CA 2.068 64.287 62.300 -0.135 0.000 1.027 801 V CB -0.626 31.136 31.823 -0.103 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.631 119.946 120.570 0.013 0.000 2.264 802 I HA -0.260 3.903 4.170 -0.012 0.000 0.248 802 I C 2.693 178.861 176.117 0.085 0.000 1.111 802 I CA 1.557 62.915 61.300 0.097 0.000 1.382 802 I CB -0.428 37.684 38.000 0.187 0.000 1.060 802 I HN 0.212 nan 8.210 nan 0.000 0.418 803 R N 0.434 120.960 120.500 0.044 0.000 2.148 803 R HA -0.094 4.238 4.340 -0.012 0.000 0.227 803 R C 2.005 178.334 176.300 0.049 0.000 1.103 803 R CA 1.018 57.141 56.100 0.038 0.000 0.983 803 R CB -0.344 29.964 30.300 0.013 0.000 0.874 803 R HN 0.535 nan 8.270 nan 0.000 0.451 804 N N 0.663 119.386 118.700 0.039 0.000 2.109 804 N HA -0.078 4.655 4.740 -0.012 0.000 0.188 804 N C 1.968 177.532 175.510 0.091 0.000 1.034 804 N CA 1.076 54.169 53.050 0.073 0.000 0.846 804 N CB -0.036 38.472 38.487 0.034 0.000 1.010 804 N HN 0.112 nan 8.380 nan 0.000 0.425 805 I N 1.712 122.325 120.570 0.073 0.000 2.194 805 I HA -0.259 3.904 4.170 -0.012 0.000 0.246 805 I C 2.457 178.621 176.117 0.079 0.000 1.093 805 I CA 1.016 62.363 61.300 0.079 0.000 1.355 805 I CB -0.346 37.696 38.000 0.070 0.000 1.046 805 I HN 0.100 nan 8.210 nan 0.000 0.413 806 A N 0.297 123.163 122.820 0.076 0.000 2.070 806 A HA -0.162 4.150 4.320 -0.012 0.000 0.220 806 A C 2.094 179.712 177.584 0.056 0.000 1.159 806 A CA 2.054 54.126 52.037 0.057 0.000 0.656 806 A CB -0.847 18.189 19.000 0.059 0.000 0.800 806 A HN 0.545 nan 8.150 nan 0.000 0.453 807 T N -2.923 111.679 114.554 0.080 0.000 3.174 807 T HA 0.178 4.521 4.350 -0.012 0.000 0.269 807 T C 1.193 175.981 174.700 0.146 0.000 1.017 807 T CA 0.640 62.791 62.100 0.086 0.000 0.899 807 T CB -0.157 68.761 68.868 0.084 0.000 1.077 807 T HN 0.482 nan 8.240 nan 0.000 0.552 808 S N 0.256 116.059 115.700 0.171 0.000 2.562 808 S HA 0.224 4.687 4.470 -0.012 0.000 0.221 808 S C 2.233 176.963 174.600 0.217 0.000 0.975 808 S CA 0.321 58.695 58.200 0.289 0.000 0.918 808 S CB -0.707 62.631 63.200 0.230 0.000 0.772 808 S HN 0.527 nan 8.310 nan 0.000 0.531 809 G N 2.679 111.527 108.800 0.081 0.000 2.469 809 G HA2 -0.306 3.647 3.960 -0.012 0.000 0.219 809 G HA3 -0.306 3.647 3.960 -0.012 0.000 0.219 809 G C 1.327 176.179 174.900 -0.081 0.000 1.150 809 G CA 1.078 46.190 45.100 0.021 0.000 0.763 809 G HN 0.609 nan 8.290 nan 0.000 0.561 810 K N -0.176 120.055 120.400 -0.282 0.000 2.281 810 K HA -0.035 4.277 4.320 -0.012 0.000 0.203 810 K C 1.277 177.557 176.600 -0.535 0.000 1.046 810 K CA 0.790 56.769 56.287 -0.514 0.000 0.938 810 K CB -0.256 31.751 32.500 -0.822 0.000 0.737 810 K HN 0.432 nan 8.250 nan 0.000 0.458 811 F N 0.695 120.673 119.950 0.047 0.000 2.660 811 F HA 0.142 4.662 4.527 -0.013 0.000 0.302 811 F C 0.807 176.651 175.800 0.073 0.000 1.103 811 F CA -0.636 57.399 58.000 0.058 0.000 1.340 811 F CB 0.472 39.502 39.000 0.050 0.000 1.048 811 F HN -0.126 nan 8.300 nan 0.000 0.551 812 S N 0.477 116.265 115.700 0.147 0.000 2.531 812 S HA 0.033 4.496 4.470 -0.012 0.000 0.279 812 S C 1.498 176.181 174.600 0.139 0.000 1.305 812 S CA -0.092 58.188 58.200 0.133 0.000 1.058 812 S CB 0.761 64.009 63.200 0.080 0.000 0.899 812 S HN 0.373 nan 8.310 nan 0.000 0.493 813 S N 3.339 119.146 115.700 0.178 0.000 2.469 813 S HA -0.097 4.366 4.470 -0.012 0.000 0.238 813 S C 0.993 175.651 174.600 0.097 0.000 0.998 813 S CA 0.861 59.188 58.200 0.212 0.000 0.957 813 S CB -0.379 63.019 63.200 0.330 0.000 0.764 813 S HN 0.798 nan 8.310 nan 0.000 0.514 814 D N 1.859 122.299 120.400 0.067 0.000 2.117 814 D HA -0.088 4.545 4.640 -0.012 0.000 0.197 814 D C 2.102 178.409 176.300 0.011 0.000 0.987 814 D CA 0.821 54.837 54.000 0.028 0.000 0.829 814 D CB -0.341 40.473 40.800 0.022 0.000 0.961 814 D HN 0.296 nan 8.370 nan 0.000 0.460 815 R N 0.773 121.281 120.500 0.014 0.000 2.073 815 R HA -0.088 4.245 4.340 -0.012 0.000 0.234 815 R C 1.921 178.214 176.300 -0.012 0.000 1.134 815 R CA 1.441 57.535 56.100 -0.011 0.000 0.952 815 R CB -0.813 29.467 30.300 -0.033 0.000 0.850 815 R HN 0.130 nan 8.270 nan 0.000 0.433 816 T N 2.225 116.795 114.554 0.027 0.000 2.635 816 T HA -0.137 4.206 4.350 -0.012 0.000 0.267 816 T C 1.928 176.631 174.700 0.004 0.000 1.040 816 T CA 1.451 63.584 62.100 0.055 0.000 1.156 816 T CB -0.136 68.847 68.868 0.192 0.000 0.863 816 T HN 0.109 nan 8.240 nan 0.000 0.430 817 I N 1.621 122.123 120.570 -0.113 0.000 2.315 817 I HA -0.069 4.093 4.170 -0.012 0.000 0.248 817 I C 2.931 179.011 176.117 -0.062 0.000 1.117 817 I CA 0.901 62.102 61.300 -0.165 0.000 1.404 817 I CB -1.637 36.261 38.000 -0.169 0.000 1.071 817 I HN 0.197 nan 8.210 nan 0.000 0.419 818 A N 0.199 122.998 122.820 -0.035 0.000 1.940 818 A HA -0.246 4.066 4.320 -0.012 0.000 0.219 818 A C 2.256 179.800 177.584 -0.067 0.000 1.176 818 A CA 1.526 53.548 52.037 -0.025 0.000 0.631 818 A CB -0.556 18.434 19.000 -0.017 0.000 0.814 818 A HN 0.514 nan 8.150 nan 0.000 0.446 819 Q N -1.901 117.838 119.800 -0.102 0.000 2.083 819 Q HA -0.156 4.177 4.340 -0.012 0.000 0.198 819 Q C 1.947 177.772 176.000 -0.292 0.000 0.969 819 Q CA 1.602 57.302 55.803 -0.171 0.000 0.838 819 Q CB -0.305 28.322 28.738 -0.185 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.614 120.626 120.300 -0.480 0.000 2.128 820 Y HA -0.304 4.239 4.550 -0.012 0.000 0.284 820 Y C 2.469 177.801 175.900 -0.947 0.000 1.154 820 Y CA 1.323 58.880 58.100 -0.906 0.000 1.149 820 Y CB -0.471 37.129 38.460 -1.432 0.000 0.976 820 Y HN 0.167 nan 8.280 nan 0.000 0.505 821 A N 0.265 122.868 122.820 -0.363 0.000 1.865 821 A HA -0.228 4.085 4.320 -0.012 0.000 0.217 821 A C 2.248 179.853 177.584 0.035 0.000 1.191 821 A CA 2.081 54.155 52.037 0.062 0.000 0.623 821 A CB -0.557 18.550 19.000 0.178 0.000 0.826 821 A HN 0.432 nan 8.150 nan 0.000 0.444 822 R N -0.787 119.691 120.500 -0.037 0.000 2.093 822 R HA -0.009 4.324 4.340 -0.012 0.000 0.224 822 R C 1.780 178.059 176.300 -0.035 0.000 1.101 822 R CA 1.396 57.486 56.100 -0.017 0.000 0.979 822 R CB -0.139 30.146 30.300 -0.026 0.000 0.877 822 R HN 0.664 nan 8.270 nan 0.000 0.441 823 E N -0.456 119.682 120.200 -0.103 0.000 2.415 823 E HA 0.103 4.446 4.350 -0.012 0.000 0.197 823 E C 1.449 178.002 176.600 -0.077 0.000 1.007 823 E CA 0.421 56.764 56.400 -0.096 0.000 0.890 823 E CB 0.565 30.179 29.700 -0.143 0.000 0.891 823 E HN 0.278 nan 8.360 nan 0.000 0.496 824 I N -1.091 119.400 120.570 -0.132 0.000 3.739 824 I HA 0.024 4.186 4.170 -0.012 0.000 0.272 824 I C 1.357 177.610 176.117 0.228 0.000 1.167 824 I CA -0.066 61.219 61.300 -0.025 0.000 1.386 824 I CB 0.223 38.077 38.000 -0.244 0.000 1.490 824 I HN 0.106 nan 8.210 nan 0.000 0.452 825 W N 1.569 122.962 121.300 0.156 0.000 2.658 825 W HA 0.302 4.955 4.660 -0.012 0.000 0.263 825 W C 1.515 178.073 176.519 0.064 0.000 1.274 825 W CA 0.860 58.279 57.345 0.123 0.000 1.343 825 W CB -1.097 28.424 29.460 0.101 0.000 1.106 825 W HN 0.326 nan 8.180 nan 0.000 0.615 826 G N 1.147 110.088 108.800 0.235 0.000 2.256 826 G HA2 -0.113 3.840 3.960 -0.012 0.000 0.272 826 G HA3 -0.113 3.840 3.960 -0.012 0.000 0.272 826 G C -0.288 174.686 174.900 0.123 0.000 1.076 826 G CA 0.266 45.445 45.100 0.132 0.000 0.882 826 G HN 0.406 nan 8.290 nan 0.000 0.497 827 V N -4.315 115.693 119.914 0.157 0.000 2.962 827 V HA 0.918 5.030 4.120 -0.012 0.000 0.313 827 V C -0.380 175.775 176.094 0.102 0.000 1.099 827 V CA -1.676 60.697 62.300 0.121 0.000 0.971 827 V CB 2.359 34.261 31.823 0.132 0.000 1.028 827 V HN 0.128 nan 8.190 nan 0.000 0.430 828 E N 3.613 123.856 120.200 0.071 0.000 2.134 828 E HA 0.513 4.856 4.350 -0.012 0.000 0.278 828 E C -2.512 174.125 176.600 0.061 0.000 0.959 828 E CA -1.748 54.687 56.400 0.058 0.000 0.783 828 E CB 1.801 31.526 29.700 0.042 0.000 1.095 828 E HN 0.744 nan 8.360 nan 0.000 0.399 829 P HA 0.066 nan 4.420 nan 0.000 0.270 829 P C -0.471 176.858 177.300 0.048 0.000 1.223 829 P CA -0.255 62.879 63.100 0.057 0.000 0.785 829 P CB 0.840 32.569 31.700 0.049 0.000 0.923 830 S N 0.802 116.531 115.700 0.049 0.000 2.575 830 S HA 0.329 4.792 4.470 -0.012 0.000 0.278 830 S C 0.357 174.982 174.600 0.040 0.000 1.139 830 S CA -0.762 57.465 58.200 0.045 0.000 0.954 830 S CB 1.003 64.236 63.200 0.055 0.000 1.054 830 S HN 0.275 nan 8.310 nan 0.000 0.483 831 R N 2.369 122.888 120.500 0.033 0.000 2.359 831 R HA 0.194 4.526 4.340 -0.012 0.000 0.231 831 R C -0.036 176.276 176.300 0.019 0.000 0.913 831 R CA 0.026 56.144 56.100 0.030 0.000 1.075 831 R CB 0.154 30.472 30.300 0.031 0.000 1.087 831 R HN 0.690 nan 8.270 nan 0.000 0.515 832 Q N 1.078 120.889 119.800 0.018 0.000 2.313 832 Q HA 0.106 4.438 4.340 -0.012 0.000 0.266 832 Q C -0.240 175.754 176.000 -0.011 0.000 0.989 832 Q CA 0.096 55.903 55.803 0.006 0.000 0.890 832 Q CB 0.949 29.695 28.738 0.012 0.000 1.200 832 Q HN -0.196 nan 8.270 nan 0.000 0.396 833 R N 1.574 122.059 120.500 -0.026 0.000 2.590 833 R HA 0.187 4.519 4.340 -0.012 0.000 0.274 833 R C -0.390 175.868 176.300 -0.070 0.000 1.061 833 R CA 0.102 56.174 56.100 -0.047 0.000 1.081 833 R CB 0.361 30.633 30.300 -0.048 0.000 0.984 833 R HN 0.493 nan 8.270 nan 0.000 0.448 834 L N 5.414 126.578 121.223 -0.098 0.000 2.375 834 L HA 0.386 4.718 4.340 -0.012 0.000 0.271 834 L C -1.694 175.116 176.870 -0.099 0.000 1.107 834 L CA -2.095 52.659 54.840 -0.144 0.000 0.806 834 L CB 1.108 43.047 42.059 -0.200 0.000 1.146 834 L HN 0.478 nan 8.230 nan 0.000 0.447 835 P HA 0.039 nan 4.420 nan 0.000 0.265 835 P C -0.595 176.675 177.300 -0.049 0.000 1.193 835 P CA -0.179 62.887 63.100 -0.057 0.000 0.765 835 P CB 0.739 32.411 31.700 -0.046 0.000 0.823 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486