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 3bcr_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 KSSKFGXXXX 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 -0.030 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.744 119.813 120.570 -0.021 0.000 2.562 13 I HA 0.551 4.713 4.170 -0.014 0.000 0.301 13 I C 1.064 177.180 176.117 -0.002 0.000 1.003 13 I CA -0.161 61.134 61.300 -0.008 0.000 1.127 13 I CB 1.887 39.886 38.000 -0.001 0.000 1.304 13 I HN 0.177 nan 8.210 nan 0.000 0.446 14 S N 3.754 119.459 115.700 0.007 0.000 2.359 14 S HA -0.178 4.284 4.470 -0.014 0.000 0.223 14 S C 1.756 176.365 174.600 0.015 0.000 1.039 14 S CA 2.166 60.373 58.200 0.011 0.000 1.042 14 S CB -0.715 62.497 63.200 0.020 0.000 0.915 14 S HN 0.828 nan 8.310 nan 0.000 0.439 15 V N -0.116 119.814 119.914 0.026 0.000 2.867 15 V HA 0.108 4.220 4.120 -0.014 0.000 0.260 15 V C 2.096 178.203 176.094 0.023 0.000 1.099 15 V CA 1.528 63.847 62.300 0.032 0.000 1.122 15 V CB -1.145 30.704 31.823 0.043 0.000 0.708 15 V HN 0.412 nan 8.190 nan 0.000 0.490 16 R N 1.256 121.761 120.500 0.008 0.000 2.335 16 R HA 0.431 4.762 4.340 -0.014 0.000 0.223 16 R C 1.149 177.440 176.300 -0.014 0.000 0.940 16 R CA 0.546 56.645 56.100 -0.002 0.000 1.086 16 R CB -0.080 30.215 30.300 -0.009 0.000 1.073 16 R HN 0.762 nan 8.270 nan 0.000 0.504 17 G N 0.648 109.440 108.800 -0.014 0.000 2.728 17 G HA2 -0.225 3.726 3.960 -0.014 0.000 0.294 17 G HA3 -0.225 3.726 3.960 -0.014 0.000 0.294 17 G C -0.888 173.996 174.900 -0.026 0.000 1.342 17 G CA -1.065 44.019 45.100 -0.027 0.000 0.866 17 G HN -0.012 nan 8.290 nan 0.000 0.534 18 L N 0.450 121.655 121.223 -0.030 0.000 2.350 18 L HA 0.656 4.987 4.340 -0.014 0.000 0.275 18 L C 1.239 178.094 176.870 -0.026 0.000 1.099 18 L CA 0.398 55.223 54.840 -0.025 0.000 0.808 18 L CB 1.028 43.073 42.059 -0.022 0.000 1.149 18 L HN 1.523 nan 8.230 nan 0.000 0.442 19 A N 2.573 125.381 122.820 -0.021 0.000 3.056 19 A HA 0.575 4.886 4.320 -0.014 0.000 0.328 19 A C 0.687 178.265 177.584 -0.010 0.000 1.233 19 A CA -0.359 51.667 52.037 -0.018 0.000 0.965 19 A CB -0.365 18.623 19.000 -0.020 0.000 1.123 19 A HN 0.785 nan 8.150 nan 0.000 0.502 20 G N -0.124 108.672 108.800 -0.008 0.000 2.442 20 G HA2 0.367 4.318 3.960 -0.014 0.000 0.249 20 G HA3 0.367 4.318 3.960 -0.014 0.000 0.249 20 G C 1.009 175.912 174.900 0.005 0.000 1.263 20 G CA -0.071 45.028 45.100 -0.002 0.000 0.846 20 G HN 0.440 nan 8.290 nan 0.000 0.555 21 V N 2.093 122.011 119.914 0.007 0.000 2.282 21 V HA -0.235 3.877 4.120 -0.014 0.000 0.249 21 V C 2.687 178.790 176.094 0.016 0.000 1.057 21 V CA 2.497 64.803 62.300 0.011 0.000 1.032 21 V CB -0.651 31.177 31.823 0.009 0.000 0.645 21 V HN 0.810 nan 8.190 nan 0.000 0.447 22 E N 0.442 120.652 120.200 0.017 0.000 2.051 22 E HA -0.200 4.142 4.350 -0.014 0.000 0.192 22 E C 2.057 178.677 176.600 0.034 0.000 0.991 22 E CA 1.746 58.160 56.400 0.023 0.000 0.799 22 E CB -0.286 29.426 29.700 0.021 0.000 0.748 22 E HN 0.641 nan 8.360 nan 0.000 0.449 23 N N -0.933 117.785 118.700 0.031 0.000 2.120 23 N HA -0.129 4.603 4.740 -0.014 0.000 0.188 23 N C 1.619 177.154 175.510 0.042 0.000 1.024 23 N CA 1.262 54.336 53.050 0.040 0.000 0.852 23 N CB -0.058 38.438 38.487 0.016 0.000 1.003 23 N HN -0.007 nan 8.380 nan 0.000 0.424 24 V N 0.126 120.057 119.914 0.027 0.000 2.343 24 V HA -0.223 3.888 4.120 -0.014 0.000 0.247 24 V C 2.018 178.134 176.094 0.036 0.000 1.051 24 V CA 1.882 64.197 62.300 0.026 0.000 1.036 24 V CB -0.944 30.889 31.823 0.017 0.000 0.654 24 V HN 0.405 nan 8.190 nan 0.000 0.451 25 T N -0.443 114.133 114.554 0.036 0.000 2.708 25 T HA -0.215 4.126 4.350 -0.014 0.000 0.266 25 T C 1.934 176.668 174.700 0.057 0.000 1.037 25 T CA 1.779 63.902 62.100 0.039 0.000 1.146 25 T CB -0.208 68.679 68.868 0.031 0.000 0.865 25 T HN 0.494 nan 8.240 nan 0.000 0.435 26 E N 1.001 121.241 120.200 0.068 0.000 2.106 26 E HA -0.015 4.326 4.350 -0.014 0.000 0.192 26 E C 2.013 178.691 176.600 0.130 0.000 0.984 26 E CA 0.879 57.333 56.400 0.090 0.000 0.806 26 E CB -0.520 29.238 29.700 0.096 0.000 0.750 26 E HN 0.446 nan 8.360 nan 0.000 0.458 27 L N 0.025 121.331 121.223 0.139 0.000 2.056 27 L HA -0.150 4.182 4.340 -0.014 0.000 0.207 27 L C 2.448 179.427 176.870 0.183 0.000 1.078 27 L CA 1.381 56.327 54.840 0.178 0.000 0.749 27 L CB -0.295 41.839 42.059 0.125 0.000 0.901 27 L HN 0.068 nan 8.230 nan 0.000 0.433 28 K N 0.482 120.950 120.400 0.114 0.000 2.057 28 K HA -0.219 4.093 4.320 -0.014 0.000 0.207 28 K C 2.138 178.842 176.600 0.174 0.000 1.049 28 K CA 1.768 58.115 56.287 0.101 0.000 0.931 28 K CB -0.077 32.443 32.500 0.034 0.000 0.714 28 K HN 0.331 nan 8.250 nan 0.000 0.440 29 K N 0.337 120.818 120.400 0.136 0.000 2.103 29 K HA -0.066 4.246 4.320 -0.014 0.000 0.204 29 K C 1.579 178.267 176.600 0.146 0.000 1.052 29 K CA 1.407 57.768 56.287 0.123 0.000 0.945 29 K CB -0.086 32.459 32.500 0.076 0.000 0.722 29 K HN 0.002 nan 8.250 nan 0.000 0.443 30 N N 0.362 119.161 118.700 0.165 0.000 2.270 30 N HA -0.120 4.611 4.740 -0.014 0.000 0.181 30 N C 1.616 177.285 175.510 0.265 0.000 1.016 30 N CA 1.003 54.149 53.050 0.159 0.000 0.870 30 N CB -0.247 38.343 38.487 0.172 0.000 0.979 30 N HN 0.223 nan 8.380 nan 0.000 0.431 31 F N 2.584 122.641 119.950 0.178 0.000 2.095 31 F HA -0.130 4.389 4.527 -0.014 0.000 0.298 31 F C 2.047 177.957 175.800 0.184 0.000 1.104 31 F CA 1.322 59.441 58.000 0.198 0.000 1.232 31 F CB -0.150 38.937 39.000 0.145 0.000 0.987 31 F HN -0.034 nan 8.300 nan 0.000 0.475 32 N N 0.455 119.383 118.700 0.381 0.000 2.188 32 N HA -0.180 4.552 4.740 -0.014 0.000 0.184 32 N C 2.023 177.617 175.510 0.140 0.000 1.018 32 N CA 1.124 54.322 53.050 0.246 0.000 0.858 32 N CB -0.526 38.087 38.487 0.210 0.000 0.989 32 N HN 0.376 nan 8.380 nan 0.000 0.426 33 R N 0.244 120.825 120.500 0.135 0.000 2.070 33 R HA -0.111 4.220 4.340 -0.014 0.000 0.233 33 R C 1.851 178.235 176.300 0.140 0.000 1.137 33 R CA 1.546 57.752 56.100 0.177 0.000 0.945 33 R CB -0.251 30.077 30.300 0.046 0.000 0.845 33 R HN 0.377 nan 8.270 nan 0.000 0.430 34 H N -0.296 118.813 119.070 0.065 0.000 2.353 34 H HA -0.141 4.407 4.556 -0.014 0.000 0.300 34 H C 1.928 177.187 175.328 -0.115 0.000 1.090 34 H CA 1.577 57.595 56.048 -0.050 0.000 1.327 34 H CB 0.005 29.698 29.762 -0.114 0.000 1.383 34 H HN 0.137 nan 8.280 nan 0.000 0.508 35 L N -0.066 121.128 121.223 -0.048 0.000 2.079 35 L HA -0.217 4.114 4.340 -0.014 0.000 0.210 35 L C 2.208 179.049 176.870 -0.049 0.000 1.081 35 L CA 1.928 56.711 54.840 -0.095 0.000 0.752 35 L CB -0.404 41.604 42.059 -0.085 0.000 0.896 35 L HN 0.320 nan 8.230 nan 0.000 0.433 36 H N -1.930 117.060 119.070 -0.133 0.000 2.287 36 H HA -0.045 4.503 4.556 -0.014 0.000 0.309 36 H C 1.780 176.908 175.328 -0.334 0.000 1.059 36 H CA 2.163 58.041 56.048 -0.283 0.000 1.357 36 H CB -0.217 29.286 29.762 -0.432 0.000 1.409 36 H HN 0.291 nan 8.280 nan 0.000 0.515 37 F N -0.488 119.459 119.950 -0.005 0.000 2.335 37 F HA 0.002 4.521 4.527 -0.014 0.000 0.296 37 F C 2.523 178.251 175.800 -0.121 0.000 1.091 37 F CA 1.298 59.252 58.000 -0.078 0.000 1.399 37 F CB -0.261 38.721 39.000 -0.030 0.000 1.067 37 F HN 0.174 nan 8.300 nan 0.000 0.520 38 T N -0.058 114.525 114.554 0.048 0.000 2.901 38 T HA 0.083 4.424 4.350 -0.014 0.000 0.252 38 T C 1.939 176.547 174.700 -0.154 0.000 1.035 38 T CA 0.830 62.885 62.100 -0.076 0.000 1.142 38 T CB -0.258 68.531 68.868 -0.131 0.000 0.869 38 T HN 0.101 nan 8.240 nan 0.000 0.442 39 L N 1.193 122.326 121.223 -0.151 0.000 2.529 39 L HA 0.216 4.548 4.340 -0.014 0.000 0.223 39 L C 0.354 177.126 176.870 -0.163 0.000 1.113 39 L CA -0.090 54.650 54.840 -0.166 0.000 0.861 39 L CB -0.101 41.866 42.059 -0.152 0.000 1.012 39 L HN -0.020 nan 8.230 nan 0.000 0.461 40 V N 0.623 120.423 119.914 -0.190 0.000 6.078 40 V HA -0.270 3.841 4.120 -0.014 0.000 0.301 40 V C -0.092 175.880 176.094 -0.203 0.000 0.571 40 V CA 1.114 63.272 62.300 -0.237 0.000 0.625 40 V CB -2.205 29.507 31.823 -0.186 0.000 0.271 40 V HN 0.448 nan 8.190 nan 0.000 0.788 41 K N 0.937 121.222 120.400 -0.192 0.000 2.509 41 K HA 0.731 5.042 4.320 -0.014 0.000 0.266 41 K C -0.574 175.979 176.600 -0.078 0.000 0.987 41 K CA -0.532 55.677 56.287 -0.130 0.000 0.868 41 K CB 2.840 35.264 32.500 -0.126 0.000 1.421 41 K HN 0.479 nan 8.250 nan 0.000 0.444 42 D N -0.613 119.768 120.400 -0.032 0.000 2.497 42 D HA 0.312 4.943 4.640 -0.014 0.000 0.243 42 D C 0.670 177.002 176.300 0.054 0.000 1.039 42 D CA -0.682 53.338 54.000 0.034 0.000 1.052 42 D CB 0.876 41.701 40.800 0.043 0.000 1.344 42 D HN 0.128 nan 8.370 nan 0.000 0.553 43 R N -0.006 120.563 120.500 0.114 0.000 2.249 43 R HA -0.035 4.296 4.340 -0.014 0.000 0.230 43 R C 0.875 177.251 176.300 0.127 0.000 1.121 43 R CA 0.567 56.776 56.100 0.181 0.000 0.997 43 R CB -0.690 29.722 30.300 0.186 0.000 0.867 43 R HN 0.507 nan 8.270 nan 0.000 0.465 44 N N 0.264 119.006 118.700 0.069 0.000 2.354 44 N HA -0.087 4.645 4.740 -0.014 0.000 0.179 44 N C 1.688 177.216 175.510 0.029 0.000 1.021 44 N CA 1.375 54.453 53.050 0.047 0.000 0.887 44 N CB 0.211 38.716 38.487 0.029 0.000 0.974 44 N HN 0.248 nan 8.380 nan 0.000 0.437 45 V N -2.994 116.924 119.914 0.006 0.000 3.604 45 V HA 0.520 4.631 4.120 -0.014 0.000 0.277 45 V C 0.828 176.889 176.094 -0.056 0.000 1.399 45 V CA -0.444 61.845 62.300 -0.019 0.000 1.034 45 V CB -0.387 31.418 31.823 -0.029 0.000 0.824 45 V HN 0.052 nan 8.190 nan 0.000 0.439 46 A N 2.449 125.209 122.820 -0.099 0.000 2.511 46 A HA 0.542 4.853 4.320 -0.014 0.000 0.242 46 A C 0.782 178.208 177.584 -0.263 0.000 1.069 46 A CA 0.807 52.677 52.037 -0.278 0.000 0.763 46 A CB -0.246 18.424 19.000 -0.550 0.000 1.001 46 A HN 0.805 nan 8.150 nan 0.000 0.498 47 T N 0.505 114.914 114.554 -0.242 0.000 2.912 47 T HA 0.530 4.872 4.350 -0.014 0.000 0.280 47 T C -2.080 172.562 174.700 -0.096 0.000 0.989 47 T CA -1.721 60.319 62.100 -0.100 0.000 0.995 47 T CB 1.043 69.891 68.868 -0.033 0.000 1.077 47 T HN 0.280 nan 8.240 nan 0.000 0.531 48 P HA -0.106 nan 4.420 nan 0.000 0.217 48 P C 1.597 179.014 177.300 0.196 0.000 1.148 48 P CA 0.914 64.168 63.100 0.257 0.000 0.828 48 P CB 0.042 31.849 31.700 0.178 0.000 0.783 49 R N 0.163 120.723 120.500 0.099 0.000 2.081 49 R HA -0.145 4.186 4.340 -0.014 0.000 0.235 49 R C 1.700 178.171 176.300 0.284 0.000 1.131 49 R CA 1.861 58.050 56.100 0.150 0.000 0.960 49 R CB -0.766 29.560 30.300 0.042 0.000 0.856 49 R HN 0.093 nan 8.270 nan 0.000 0.436 50 D N -0.334 120.121 120.400 0.092 0.000 2.123 50 D HA -0.197 4.434 4.640 -0.014 0.000 0.196 50 D C 1.755 178.068 176.300 0.022 0.000 0.992 50 D CA 1.383 55.384 54.000 0.002 0.000 0.833 50 D CB -0.297 40.356 40.800 -0.245 0.000 0.954 50 D HN 0.322 nan 8.370 nan 0.000 0.455 51 Y N 0.111 120.520 120.300 0.182 0.000 2.200 51 Y HA -0.201 4.341 4.550 -0.014 0.000 0.290 51 Y C 2.332 178.379 175.900 0.246 0.000 1.137 51 Y CA 0.345 58.601 58.100 0.260 0.000 1.163 51 Y CB -1.162 37.500 38.460 0.337 0.000 0.988 51 Y HN 0.076 nan 8.280 nan 0.000 0.518 52 Y N -0.360 120.083 120.300 0.237 0.000 2.081 52 Y HA -0.320 4.221 4.550 -0.014 0.000 0.280 52 Y C 2.021 177.898 175.900 -0.037 0.000 1.163 52 Y CA 1.459 59.592 58.100 0.054 0.000 1.135 52 Y CB -1.174 37.212 38.460 -0.124 0.000 0.970 52 Y HN 0.058 nan 8.280 nan 0.000 0.498 53 F N 0.148 119.897 119.950 -0.335 0.000 2.171 53 F HA -0.157 4.362 4.527 -0.014 0.000 0.300 53 F C 2.638 178.276 175.800 -0.271 0.000 1.090 53 F CA 1.273 59.014 58.000 -0.432 0.000 1.293 53 F CB -0.772 38.153 39.000 -0.125 0.000 1.013 53 F HN 0.214 nan 8.300 nan 0.000 0.486 54 A N -0.227 122.541 122.820 -0.087 0.000 1.933 54 A HA -0.167 4.145 4.320 -0.014 0.000 0.218 54 A C 2.042 179.503 177.584 -0.206 0.000 1.175 54 A CA 1.452 53.308 52.037 -0.302 0.000 0.628 54 A CB -0.953 17.538 19.000 -0.849 0.000 0.814 54 A HN 0.343 nan 8.150 nan 0.000 0.444 55 L N -0.160 121.068 121.223 0.008 0.000 1.994 55 L HA -0.040 4.292 4.340 -0.014 0.000 0.208 55 L C 2.711 179.561 176.870 -0.033 0.000 1.071 55 L CA 2.238 57.198 54.840 0.201 0.000 0.745 55 L CB -0.990 41.245 42.059 0.293 0.000 0.892 55 L HN 0.343 nan 8.230 nan 0.000 0.431 56 A N -1.171 121.446 122.820 -0.338 0.000 1.892 56 A HA -0.313 3.998 4.320 -0.014 0.000 0.218 56 A C 2.162 179.389 177.584 -0.596 0.000 1.188 56 A CA 2.183 53.893 52.037 -0.546 0.000 0.631 56 A CB -1.212 17.132 19.000 -1.092 0.000 0.822 56 A HN 0.703 nan 8.150 nan 0.000 0.447 57 H N -0.875 117.876 119.070 -0.532 0.000 2.387 57 H HA -0.061 4.487 4.556 -0.014 0.000 0.299 57 H C 2.344 177.385 175.328 -0.479 0.000 1.090 57 H CA 1.941 57.598 56.048 -0.652 0.000 1.332 57 H CB -0.153 28.975 29.762 -1.057 0.000 1.386 57 H HN 0.484 nan 8.280 nan 0.000 0.516 58 T N -0.345 114.150 114.554 -0.098 0.000 2.737 58 T HA -0.126 4.215 4.350 -0.014 0.000 0.265 58 T C 2.266 177.134 174.700 0.281 0.000 1.038 58 T CA 1.321 63.551 62.100 0.217 0.000 1.144 58 T CB -0.373 68.693 68.868 0.329 0.000 0.866 58 T HN 0.097 nan 8.240 nan 0.000 0.434 59 V N 1.648 121.693 119.914 0.217 0.000 2.358 59 V HA -0.132 3.979 4.120 -0.014 0.000 0.246 59 V C 2.627 178.904 176.094 0.306 0.000 1.047 59 V CA 1.576 64.044 62.300 0.280 0.000 1.035 59 V CB -0.657 31.323 31.823 0.261 0.000 0.658 59 V HN 0.374 nan 8.190 nan 0.000 0.452 60 R N 0.271 120.901 120.500 0.216 0.000 2.117 60 R HA -0.238 4.094 4.340 -0.014 0.000 0.243 60 R C 1.964 178.372 176.300 0.180 0.000 1.143 60 R CA 2.214 58.435 56.100 0.202 0.000 0.968 60 R CB -0.455 29.805 30.300 -0.067 0.000 0.863 60 R HN 0.479 nan 8.270 nan 0.000 0.444 61 D N -0.226 120.266 120.400 0.153 0.000 2.149 61 D HA -0.169 4.462 4.640 -0.014 0.000 0.198 61 D C 1.759 178.077 176.300 0.030 0.000 0.990 61 D CA 1.155 55.214 54.000 0.097 0.000 0.839 61 D CB -0.397 40.448 40.800 0.075 0.000 0.948 61 D HN 0.474 nan 8.370 nan 0.000 0.460 62 H N -0.298 118.838 119.070 0.110 0.000 2.491 62 H HA 0.031 4.579 4.556 -0.014 0.000 0.290 62 H C 2.253 177.624 175.328 0.072 0.000 1.050 62 H CA 0.383 56.480 56.048 0.080 0.000 1.309 62 H CB 0.251 30.052 29.762 0.064 0.000 1.392 62 H HN 0.199 nan 8.280 nan 0.000 0.554 63 L N 0.608 121.944 121.223 0.188 0.000 2.072 63 L HA -0.126 4.205 4.340 -0.014 0.000 0.205 63 L C 2.811 179.792 176.870 0.186 0.000 1.079 63 L CA 0.646 55.562 54.840 0.127 0.000 0.752 63 L CB -0.223 41.876 42.059 0.066 0.000 0.906 63 L HN 0.124 nan 8.230 nan 0.000 0.436 64 V N -2.512 117.536 119.914 0.223 0.000 2.343 64 V HA -0.134 3.978 4.120 -0.014 0.000 0.247 64 V C 2.323 178.538 176.094 0.202 0.000 1.051 64 V CA 1.957 64.432 62.300 0.291 0.000 1.036 64 V CB -1.798 30.158 31.823 0.222 0.000 0.654 64 V HN 0.386 nan 8.190 nan 0.000 0.451 65 G N 0.327 109.199 108.800 0.120 0.000 2.421 65 G HA2 -0.232 3.720 3.960 -0.014 0.000 0.216 65 G HA3 -0.232 3.720 3.960 -0.014 0.000 0.216 65 G C 1.763 176.711 174.900 0.080 0.000 1.171 65 G CA 0.984 46.127 45.100 0.073 0.000 0.775 65 G HN 0.543 nan 8.290 nan 0.000 0.543 66 R N -1.446 119.111 120.500 0.096 0.000 2.092 66 R HA -0.053 4.279 4.340 -0.014 0.000 0.231 66 R C 2.257 178.641 176.300 0.139 0.000 1.119 66 R CA 1.087 57.232 56.100 0.074 0.000 0.970 66 R CB -0.372 29.956 30.300 0.047 0.000 0.864 66 R HN 0.461 nan 8.270 nan 0.000 0.440 67 W N 1.625 122.909 121.300 -0.027 0.000 2.335 67 W HA -0.100 4.552 4.660 -0.014 0.000 0.311 67 W C 1.722 178.219 176.519 -0.037 0.000 1.213 67 W CA 1.026 58.354 57.345 -0.029 0.000 1.274 67 W CB -0.626 28.836 29.460 0.004 0.000 1.148 67 W HN -0.033 nan 8.180 nan 0.000 0.498 68 I N 0.939 121.566 120.570 0.095 0.000 2.226 68 I HA -0.338 3.823 4.170 -0.014 0.000 0.245 68 I C 2.675 178.776 176.117 -0.026 0.000 1.100 68 I CA 2.044 63.317 61.300 -0.044 0.000 1.374 68 I CB -0.617 37.359 38.000 -0.040 0.000 1.057 68 I HN -0.006 nan 8.210 nan 0.000 0.413 69 R N 0.204 120.704 120.500 -0.000 0.000 2.153 69 R HA -0.019 4.312 4.340 -0.014 0.000 0.218 69 R C 1.925 178.191 176.300 -0.057 0.000 1.072 69 R CA 1.375 57.464 56.100 -0.017 0.000 0.990 69 R CB -1.128 29.163 30.300 -0.015 0.000 0.889 69 R HN 0.156 nan 8.270 nan 0.000 0.452 70 T N 1.744 116.243 114.554 -0.092 0.000 2.652 70 T HA -0.122 4.220 4.350 -0.014 0.000 0.267 70 T C 1.812 176.247 174.700 -0.443 0.000 1.039 70 T CA 1.456 63.389 62.100 -0.278 0.000 1.153 70 T CB -0.148 68.593 68.868 -0.211 0.000 0.863 70 T HN 0.243 nan 8.240 nan 0.000 0.428 71 Q N 0.742 120.429 119.800 -0.187 0.000 2.170 71 Q HA -0.086 4.245 4.340 -0.014 0.000 0.203 71 Q C 2.334 178.348 176.000 0.023 0.000 0.976 71 Q CA 1.277 57.047 55.803 -0.055 0.000 0.858 71 Q CB -0.485 28.251 28.738 -0.004 0.000 0.907 71 Q HN 0.507 nan 8.270 nan 0.000 0.433 72 Q N 0.056 119.858 119.800 0.003 0.000 2.050 72 Q HA -0.185 4.146 4.340 -0.014 0.000 0.202 72 Q C 1.944 178.029 176.000 0.141 0.000 0.980 72 Q CA 1.851 57.698 55.803 0.073 0.000 0.840 72 Q CB -0.352 28.410 28.738 0.041 0.000 0.898 72 Q HN 0.539 nan 8.270 nan 0.000 0.424 73 H N -0.994 118.051 119.070 -0.041 0.000 2.319 73 H HA -0.197 4.350 4.556 -0.014 0.000 0.297 73 H C 1.233 176.630 175.328 0.115 0.000 1.097 73 H CA 2.338 58.374 56.048 -0.019 0.000 1.285 73 H CB -0.330 29.354 29.762 -0.129 0.000 1.368 73 H HN 0.371 nan 8.280 nan 0.000 0.495 74 Y N -1.108 119.229 120.300 0.061 0.000 2.274 74 Y HA -0.189 4.352 4.550 -0.014 0.000 0.290 74 Y C 2.441 178.369 175.900 0.047 0.000 1.145 74 Y CA 1.037 59.143 58.100 0.011 0.000 1.203 74 Y CB -1.340 37.186 38.460 0.109 0.000 0.984 74 Y HN 0.360 nan 8.280 nan 0.000 0.533 75 Y N 1.233 121.614 120.300 0.135 0.000 2.200 75 Y HA -0.169 4.372 4.550 -0.014 0.000 0.290 75 Y C 2.101 178.017 175.900 0.027 0.000 1.137 75 Y CA 1.661 59.804 58.100 0.073 0.000 1.163 75 Y CB -0.010 38.481 38.460 0.053 0.000 0.988 75 Y HN 0.026 nan 8.280 nan 0.000 0.518 76 E N 0.334 120.544 120.200 0.017 0.000 2.028 76 E HA -0.145 4.197 4.350 -0.014 0.000 0.190 76 E C 2.039 178.565 176.600 -0.123 0.000 0.984 76 E CA 1.168 57.525 56.400 -0.073 0.000 0.800 76 E CB -0.297 29.413 29.700 0.016 0.000 0.758 76 E HN 0.468 nan 8.360 nan 0.000 0.448 77 K N 0.685 120.990 120.400 -0.158 0.000 2.296 77 K HA -0.092 4.220 4.320 -0.014 0.000 0.200 77 K C -0.036 176.506 176.600 -0.097 0.000 1.048 77 K CA 0.549 56.743 56.287 -0.155 0.000 0.966 77 K CB -0.056 32.272 32.500 -0.286 0.000 0.754 77 K HN 0.017 nan 8.250 nan 0.000 0.466 78 D N 0.927 121.278 120.400 -0.081 0.000 2.735 78 D HA -0.103 4.528 4.640 -0.014 0.000 0.235 78 D C -2.447 173.815 176.300 -0.063 0.000 1.175 78 D CA 0.042 54.006 54.000 -0.061 0.000 0.683 78 D CB -0.050 40.705 40.800 -0.075 0.000 1.008 78 D HN 0.162 nan 8.370 nan 0.000 0.416 79 P HA 0.110 nan 4.420 nan 0.000 0.276 79 P C -0.178 177.051 177.300 -0.119 0.000 1.261 79 P CA -0.621 62.421 63.100 -0.096 0.000 0.800 79 P CB 0.639 32.270 31.700 -0.115 0.000 1.066 80 K N 1.246 121.574 120.400 -0.120 0.000 2.484 80 K HA 0.018 4.329 4.320 -0.014 0.000 0.280 80 K C -0.074 176.414 176.600 -0.187 0.000 1.013 80 K CA 0.136 56.341 56.287 -0.136 0.000 1.029 80 K CB 0.166 32.602 32.500 -0.107 0.000 0.902 80 K HN 0.264 nan 8.250 nan 0.000 0.481 81 R N 3.670 124.044 120.500 -0.210 0.000 2.368 81 R HA 0.352 4.684 4.340 -0.014 0.000 0.302 81 R C -0.592 175.414 176.300 -0.490 0.000 1.002 81 R CA -0.526 55.371 56.100 -0.338 0.000 0.929 81 R CB 0.887 30.994 30.300 -0.322 0.000 1.073 81 R HN 0.488 nan 8.270 nan 0.000 0.464 82 I N 4.360 124.590 120.570 -0.567 0.000 2.339 82 I HA 0.214 4.375 4.170 -0.014 0.000 0.290 82 I C -0.655 175.141 176.117 -0.535 0.000 0.994 82 I CA -0.846 60.078 61.300 -0.626 0.000 1.191 82 I CB 0.787 38.293 38.000 -0.824 0.000 1.343 82 I HN 0.534 nan 8.210 nan 0.000 0.458 83 Y N 5.923 126.181 120.300 -0.070 0.000 2.356 83 Y HA 0.285 4.827 4.550 -0.014 0.000 0.334 83 Y C -0.255 175.743 175.900 0.164 0.000 0.958 83 Y CA -0.715 57.465 58.100 0.133 0.000 1.196 83 Y CB 1.000 39.494 38.460 0.056 0.000 1.137 83 Y HN 0.402 nan 8.280 nan 0.000 0.485 84 Y N 4.534 125.009 120.300 0.293 0.000 2.518 84 Y HA 0.454 4.995 4.550 -0.014 0.000 0.344 84 Y C -1.160 175.006 175.900 0.443 0.000 0.982 84 Y CA -0.905 57.380 58.100 0.308 0.000 1.234 84 Y CB 0.250 38.894 38.460 0.306 0.000 1.114 84 Y HN 0.520 nan 8.280 nan 0.000 0.515 85 L N 4.995 126.259 121.223 0.068 0.000 2.265 85 L HA 0.460 4.792 4.340 -0.014 0.000 0.288 85 L C -0.223 176.658 176.870 0.018 0.000 1.058 85 L CA 0.201 55.139 54.840 0.164 0.000 0.809 85 L CB 1.256 43.381 42.059 0.110 0.000 1.179 85 L HN 0.567 nan 8.230 nan 0.000 0.429 86 S N 2.502 118.300 115.700 0.164 0.000 2.536 86 S HA 0.482 4.943 4.470 -0.014 0.000 0.271 86 S C 0.311 174.997 174.600 0.144 0.000 1.134 86 S CA -0.525 57.665 58.200 -0.017 0.000 0.897 86 S CB 1.040 63.980 63.200 -0.433 0.000 1.094 86 S HN 0.481 nan 8.310 nan 0.000 0.473 87 L N 2.875 124.220 121.223 0.203 0.000 2.599 87 L HA 0.407 4.739 4.340 -0.014 0.000 0.230 87 L C 0.332 177.400 176.870 0.330 0.000 1.141 87 L CA 1.020 56.050 54.840 0.317 0.000 0.877 87 L CB -0.045 42.221 42.059 0.344 0.000 1.009 87 L HN 0.636 nan 8.230 nan 0.000 0.447 88 E N -1.199 119.061 120.200 0.100 0.000 2.275 88 E HA 0.392 4.734 4.350 -0.014 0.000 0.270 88 E C -1.387 175.080 176.600 -0.222 0.000 0.882 88 E CA -0.417 56.021 56.400 0.062 0.000 0.758 88 E CB 1.752 31.467 29.700 0.025 0.000 1.195 88 E HN -0.158 nan 8.360 nan 0.000 0.419 89 F N 2.212 122.271 119.950 0.182 0.000 2.716 89 F HA 0.187 4.705 4.527 -0.014 0.000 0.354 89 F C -0.786 175.100 175.800 0.144 0.000 1.168 89 F CA -0.788 57.308 58.000 0.161 0.000 1.045 89 F CB 0.930 40.017 39.000 0.146 0.000 1.311 89 F HN 0.488 nan 8.300 nan 0.000 0.477 90 Y N 5.216 125.593 120.300 0.130 0.000 2.632 90 Y HA 0.221 4.763 4.550 -0.014 0.000 0.336 90 Y C 0.921 176.844 175.900 0.037 0.000 1.237 90 Y CA -0.984 57.142 58.100 0.044 0.000 1.595 90 Y CB 0.345 38.816 38.460 0.018 0.000 1.508 90 Y HN 0.554 nan 8.280 nan 0.000 0.480 91 M N 1.408 121.132 119.600 0.206 0.000 2.334 91 M HA 0.127 4.599 4.480 -0.014 0.000 0.266 91 M C 1.571 177.848 176.300 -0.039 0.000 1.082 91 M CA 1.037 56.373 55.300 0.060 0.000 1.141 91 M CB -1.123 31.491 32.600 0.023 0.000 1.380 91 M HN 0.692 nan 8.290 nan 0.000 0.440 92 G N 1.368 110.153 108.800 -0.025 0.000 2.569 92 G HA2 -0.281 3.670 3.960 -0.014 0.000 0.259 92 G HA3 -0.281 3.670 3.960 -0.014 0.000 0.259 92 G C -0.241 174.615 174.900 -0.073 0.000 1.263 92 G CA -0.273 44.777 45.100 -0.083 0.000 0.928 92 G HN 0.446 nan 8.290 nan 0.000 0.572 93 R N -0.669 119.769 120.500 -0.102 0.000 2.582 93 R HA 0.549 4.881 4.340 -0.014 0.000 0.271 93 R C 1.105 177.294 176.300 -0.185 0.000 1.078 93 R CA 0.357 56.406 56.100 -0.085 0.000 1.127 93 R CB 0.678 30.935 30.300 -0.071 0.000 1.038 93 R HN 0.521 nan 8.270 nan 0.000 0.500 94 T N 1.245 115.645 114.554 -0.256 0.000 2.978 94 T HA -0.008 4.333 4.350 -0.014 0.000 0.248 94 T C 1.442 175.784 174.700 -0.598 0.000 1.018 94 T CA -0.129 61.611 62.100 -0.600 0.000 1.026 94 T CB 0.130 68.276 68.868 -1.204 0.000 1.032 94 T HN 0.325 nan 8.240 nan 0.000 0.485 95 L N 1.935 123.033 121.223 -0.208 0.000 1.970 95 L HA -0.047 4.284 4.340 -0.014 0.000 0.212 95 L C 2.468 179.311 176.870 -0.045 0.000 1.071 95 L CA 2.025 56.892 54.840 0.045 0.000 0.751 95 L CB -0.655 41.627 42.059 0.372 0.000 0.889 95 L HN 0.180 nan 8.230 nan 0.000 0.432 96 Q N -0.807 118.962 119.800 -0.051 0.000 2.124 96 Q HA -0.245 4.087 4.340 -0.014 0.000 0.202 96 Q C 2.227 178.157 176.000 -0.117 0.000 0.977 96 Q CA 1.775 57.538 55.803 -0.066 0.000 0.850 96 Q CB -0.299 28.397 28.738 -0.070 0.000 0.901 96 Q HN 0.698 nan 8.270 nan 0.000 0.429 97 N N -0.985 117.606 118.700 -0.180 0.000 2.104 97 N HA -0.152 4.580 4.740 -0.014 0.000 0.190 97 N C 1.350 176.752 175.510 -0.179 0.000 1.024 97 N CA 1.822 54.753 53.050 -0.198 0.000 0.853 97 N CB 0.062 38.397 38.487 -0.253 0.000 1.008 97 N HN 0.228 nan 8.380 nan 0.000 0.424 98 T N 1.333 115.747 114.554 -0.234 0.000 2.777 98 T HA -0.060 4.281 4.350 -0.014 0.000 0.266 98 T C 2.084 176.721 174.700 -0.104 0.000 1.040 98 T CA 1.082 63.061 62.100 -0.201 0.000 1.141 98 T CB -0.079 68.621 68.868 -0.280 0.000 0.868 98 T HN 0.260 nan 8.240 nan 0.000 0.444 99 M N 0.637 120.193 119.600 -0.074 0.000 2.080 99 M HA -0.106 4.366 4.480 -0.014 0.000 0.260 99 M C 2.504 178.772 176.300 -0.053 0.000 1.068 99 M CA 1.343 56.613 55.300 -0.050 0.000 1.109 99 M CB -0.775 31.811 32.600 -0.025 0.000 1.342 99 M HN 0.091 nan 8.290 nan 0.000 0.405 100 V N 1.087 120.975 119.914 -0.042 0.000 2.252 100 V HA -0.299 3.813 4.120 -0.014 0.000 0.249 100 V C 1.803 177.915 176.094 0.029 0.000 1.056 100 V CA 2.142 64.444 62.300 0.004 0.000 1.022 100 V CB -0.938 30.887 31.823 0.004 0.000 0.641 100 V HN 0.483 nan 8.190 nan 0.000 0.445 101 N N -0.462 118.240 118.700 0.005 0.000 2.459 101 N HA -0.044 4.688 4.740 -0.014 0.000 0.181 101 N C 1.098 176.521 175.510 -0.145 0.000 1.046 101 N CA 0.685 53.723 53.050 -0.019 0.000 0.904 101 N CB -0.121 38.358 38.487 -0.013 0.000 0.964 101 N HN 0.288 nan 8.380 nan 0.000 0.444 102 L N -0.272 120.881 121.223 -0.117 0.000 2.640 102 L HA 0.399 4.731 4.340 -0.014 0.000 0.230 102 L C 0.527 177.316 176.870 -0.135 0.000 1.123 102 L CA -0.188 54.579 54.840 -0.121 0.000 0.900 102 L CB -0.752 41.256 42.059 -0.086 0.000 1.146 102 L HN 0.107 nan 8.230 nan 0.000 0.484 103 A N -0.539 122.201 122.820 -0.133 0.000 2.846 103 A HA -0.205 4.107 4.320 -0.014 0.000 0.287 103 A C 0.983 178.511 177.584 -0.093 0.000 1.469 103 A CA 0.875 52.845 52.037 -0.112 0.000 0.757 103 A CB -1.926 16.993 19.000 -0.135 0.000 1.033 103 A HN 0.201 nan 8.150 nan 0.000 0.516 104 L N -0.889 120.280 121.223 -0.089 0.000 2.731 104 L HA 0.273 4.605 4.340 -0.014 0.000 0.240 104 L C 1.812 178.645 176.870 -0.061 0.000 1.120 104 L CA 1.499 56.280 54.840 -0.099 0.000 0.913 104 L CB -0.254 41.720 42.059 -0.142 0.000 1.213 104 L HN 0.626 nan 8.230 nan 0.000 0.515 105 E N -0.191 119.983 120.200 -0.043 0.000 2.051 105 E HA -0.220 4.121 4.350 -0.014 0.000 0.192 105 E C 1.498 178.084 176.600 -0.022 0.000 0.991 105 E CA 1.270 57.655 56.400 -0.026 0.000 0.799 105 E CB 0.307 29.995 29.700 -0.021 0.000 0.748 105 E HN 0.397 nan 8.360 nan 0.000 0.449 106 N N 0.140 118.824 118.700 -0.027 0.000 2.142 106 N HA -0.118 4.614 4.740 -0.014 0.000 0.186 106 N C 1.571 177.065 175.510 -0.026 0.000 1.023 106 N CA 1.216 54.249 53.050 -0.028 0.000 0.852 106 N CB -0.364 38.105 38.487 -0.029 0.000 0.998 106 N HN 0.196 nan 8.380 nan 0.000 0.424 107 A N 0.405 123.208 122.820 -0.029 0.000 1.877 107 A HA -0.150 4.161 4.320 -0.014 0.000 0.216 107 A C 2.664 180.240 177.584 -0.014 0.000 1.186 107 A CA 1.388 53.411 52.037 -0.024 0.000 0.620 107 A CB -1.030 17.948 19.000 -0.037 0.000 0.822 107 A HN 0.442 nan 8.150 nan 0.000 0.443 108 C N -0.880 118.411 119.300 -0.015 0.000 2.440 108 C HA -0.067 4.385 4.460 -0.014 0.000 0.278 108 C C 2.471 177.462 174.990 0.001 0.000 1.295 108 C CA 1.118 60.138 59.018 0.003 0.000 1.738 108 C CB -1.138 26.614 27.740 0.020 0.000 1.987 108 C HN 0.706 nan 8.230 nan 0.000 0.492 109 D N 0.707 121.107 120.400 0.000 0.000 2.104 109 D HA -0.150 4.482 4.640 -0.014 0.000 0.194 109 D C 2.123 178.436 176.300 0.022 0.000 0.994 109 D CA 1.536 55.539 54.000 0.005 0.000 0.830 109 D CB -0.246 40.547 40.800 -0.012 0.000 0.959 109 D HN 0.458 nan 8.370 nan 0.000 0.452 110 E N 0.095 120.300 120.200 0.008 0.000 2.047 110 E HA -0.040 4.301 4.350 -0.014 0.000 0.191 110 E C 1.886 178.518 176.600 0.053 0.000 0.987 110 E CA 1.548 57.969 56.400 0.034 0.000 0.799 110 E CB -0.578 29.125 29.700 0.006 0.000 0.752 110 E HN 0.223 nan 8.360 nan 0.000 0.449 111 A N -0.136 122.687 122.820 0.005 0.000 1.908 111 A HA -0.205 4.107 4.320 -0.014 0.000 0.218 111 A C 2.475 179.989 177.584 -0.116 0.000 1.181 111 A CA 2.759 54.774 52.037 -0.036 0.000 0.627 111 A CB -1.378 17.605 19.000 -0.028 0.000 0.818 111 A HN 0.514 nan 8.150 nan 0.000 0.445 112 T N -3.798 110.683 114.554 -0.121 0.000 2.857 112 T HA -0.191 4.151 4.350 -0.014 0.000 0.266 112 T C 1.861 176.483 174.700 -0.130 0.000 1.048 112 T CA 1.437 63.410 62.100 -0.211 0.000 1.139 112 T CB -0.622 68.158 68.868 -0.146 0.000 0.874 112 T HN 0.446 nan 8.240 nan 0.000 0.455 113 Y N 2.227 122.450 120.300 -0.128 0.000 2.128 113 Y HA -0.157 4.385 4.550 -0.013 0.000 0.284 113 Y C 2.655 178.494 175.900 -0.102 0.000 1.154 113 Y CA 1.759 59.800 58.100 -0.098 0.000 1.149 113 Y CB -0.512 37.909 38.460 -0.065 0.000 0.976 113 Y HN 0.250 nan 8.280 nan 0.000 0.505 114 Q N -0.990 118.762 119.800 -0.080 0.000 2.291 114 Q HA -0.120 4.211 4.340 -0.014 0.000 0.205 114 Q C 1.457 177.338 176.000 -0.198 0.000 0.970 114 Q CA 0.811 56.530 55.803 -0.141 0.000 0.876 114 Q CB -0.047 28.677 28.738 -0.024 0.000 0.935 114 Q HN 0.356 nan 8.270 nan 0.000 0.455 115 L N -0.925 120.157 121.223 -0.234 0.000 2.591 115 L HA 0.150 4.482 4.340 -0.014 0.000 0.228 115 L C 1.082 177.784 176.870 -0.280 0.000 1.133 115 L CA 1.140 55.824 54.840 -0.260 0.000 0.880 115 L CB -0.336 41.487 42.059 -0.393 0.000 1.033 115 L HN 0.301 nan 8.230 nan 0.000 0.450 116 G N -0.059 108.555 108.800 -0.310 0.000 2.182 116 G HA2 -0.245 3.707 3.960 -0.014 0.000 0.248 116 G HA3 -0.245 3.707 3.960 -0.014 0.000 0.248 116 G C 0.004 174.752 174.900 -0.254 0.000 1.042 116 G CA 0.265 45.187 45.100 -0.296 0.000 0.775 116 G HN 0.286 nan 8.290 nan 0.000 0.501 117 L N -0.320 120.754 121.223 -0.248 0.000 2.354 117 L HA 0.613 4.944 4.340 -0.014 0.000 0.269 117 L C -0.582 176.244 176.870 -0.073 0.000 1.005 117 L CA -1.210 53.516 54.840 -0.188 0.000 0.819 117 L CB 1.944 43.836 42.059 -0.279 0.000 1.311 117 L HN 0.068 nan 8.230 nan 0.000 0.423 118 D N 2.045 122.434 120.400 -0.018 0.000 2.359 118 D HA 0.186 4.818 4.640 -0.014 0.000 0.230 118 D C 0.626 176.950 176.300 0.039 0.000 1.118 118 D CA -0.183 53.837 54.000 0.032 0.000 0.844 118 D CB 1.536 42.361 40.800 0.041 0.000 1.059 118 D HN 0.514 nan 8.370 nan 0.000 0.493 119 M N 3.140 122.766 119.600 0.043 0.000 2.159 119 M HA -0.139 4.332 4.480 -0.014 0.000 0.263 119 M C 1.308 177.646 176.300 0.063 0.000 1.063 119 M CA 1.499 56.833 55.300 0.057 0.000 1.110 119 M CB 0.210 32.838 32.600 0.046 0.000 1.374 119 M HN 0.426 nan 8.290 nan 0.000 0.411 120 E N -0.226 120.002 120.200 0.046 0.000 2.153 120 E HA -0.250 4.092 4.350 -0.014 0.000 0.194 120 E C 1.827 178.452 176.600 0.042 0.000 0.988 120 E CA 1.295 57.718 56.400 0.038 0.000 0.811 120 E CB -0.148 29.570 29.700 0.030 0.000 0.746 120 E HN 0.639 nan 8.360 nan 0.000 0.466 121 E N 0.498 120.728 120.200 0.050 0.000 2.072 121 E HA -0.188 4.153 4.350 -0.014 0.000 0.191 121 E C 1.913 178.547 176.600 0.057 0.000 0.985 121 E CA 0.574 57.005 56.400 0.050 0.000 0.801 121 E CB 0.184 29.917 29.700 0.054 0.000 0.750 121 E HN 0.081 nan 8.360 nan 0.000 0.452 122 L N 1.479 122.758 121.223 0.093 0.000 2.093 122 L HA -0.127 4.205 4.340 -0.014 0.000 0.208 122 L C 2.078 179.004 176.870 0.094 0.000 1.085 122 L CA 1.599 56.528 54.840 0.147 0.000 0.755 122 L CB -0.710 41.489 42.059 0.234 0.000 0.904 122 L HN 0.145 nan 8.230 nan 0.000 0.435 123 E N -0.645 119.600 120.200 0.074 0.000 2.153 123 E HA -0.195 4.146 4.350 -0.014 0.000 0.194 123 E C 1.809 178.364 176.600 -0.074 0.000 0.988 123 E CA 0.817 57.233 56.400 0.028 0.000 0.811 123 E CB 0.025 29.745 29.700 0.034 0.000 0.746 123 E HN 0.410 nan 8.360 nan 0.000 0.466 124 E N 0.216 120.384 120.200 -0.054 0.000 2.409 124 E HA -0.121 4.220 4.350 -0.014 0.000 0.198 124 E C 1.821 178.344 176.600 -0.127 0.000 1.024 124 E CA 0.586 56.952 56.400 -0.058 0.000 0.861 124 E CB 0.035 29.735 29.700 0.001 0.000 0.788 124 E HN 0.416 nan 8.360 nan 0.000 0.521 125 I N 0.754 121.179 120.570 -0.242 0.000 2.716 125 I HA -0.092 4.070 4.170 -0.014 0.000 0.259 125 I C 1.363 177.142 176.117 -0.564 0.000 1.172 125 I CA 0.180 61.263 61.300 -0.362 0.000 1.478 125 I CB 0.111 37.898 38.000 -0.353 0.000 1.104 125 I HN -0.036 nan 8.210 nan 0.000 0.439 126 E N 2.762 122.513 120.200 -0.749 0.000 2.415 126 E HA -0.043 4.298 4.350 -0.014 0.000 0.263 126 E C -0.221 176.284 176.600 -0.158 0.000 0.995 126 E CA -0.216 55.834 56.400 -0.584 0.000 0.915 126 E CB 0.606 30.105 29.700 -0.334 0.000 0.951 126 E HN 0.090 nan 8.360 nan 0.000 0.449 127 E N 3.479 123.683 120.200 0.007 0.000 2.373 127 E HA 0.042 4.384 4.350 -0.014 0.000 0.267 127 E C -0.793 175.910 176.600 0.171 0.000 1.032 127 E CA -0.133 56.357 56.400 0.149 0.000 0.889 127 E CB 0.653 30.536 29.700 0.304 0.000 0.984 127 E HN 0.487 nan 8.360 nan 0.000 0.425 128 D N 0.859 121.331 120.400 0.120 0.000 2.455 128 D HA 0.130 4.762 4.640 -0.014 0.000 0.241 128 D C -0.286 176.053 176.300 0.065 0.000 1.138 128 D CA 0.236 54.280 54.000 0.074 0.000 0.877 128 D CB 0.548 41.372 40.800 0.040 0.000 1.187 128 D HN 0.376 nan 8.370 nan 0.000 0.451 129 A N 2.588 125.398 122.820 -0.017 0.000 2.539 129 A HA 0.462 4.774 4.320 -0.014 0.000 0.306 129 A C 1.043 178.476 177.584 -0.252 0.000 1.392 129 A CA -0.369 51.457 52.037 -0.350 0.000 1.060 129 A CB -0.222 18.638 19.000 -0.234 0.000 1.134 129 A HN 0.556 nan 8.150 nan 0.000 0.542 130 G N 2.199 110.796 108.800 -0.338 0.000 3.943 130 G HA2 0.420 4.371 3.960 -0.014 0.000 0.275 130 G HA3 0.420 4.371 3.960 -0.014 0.000 0.275 130 G C 0.312 175.015 174.900 -0.329 0.000 1.234 130 G CA -0.301 44.703 45.100 -0.160 0.000 1.522 130 G HN 0.693 nan 8.290 nan 0.000 0.636 131 L N 1.234 122.301 121.223 -0.260 0.000 2.862 131 L HA 0.370 4.702 4.340 -0.014 0.000 0.240 131 L C 1.061 177.853 176.870 -0.129 0.000 1.283 131 L CA -0.185 54.583 54.840 -0.120 0.000 1.117 131 L CB -0.280 41.822 42.059 0.071 0.000 1.444 131 L HN 0.328 nan 8.230 nan 0.000 0.456 132 G N -1.339 107.158 108.800 -0.504 0.000 2.649 132 G HA2 0.211 4.163 3.960 -0.014 0.000 0.290 132 G HA3 0.211 4.163 3.960 -0.014 0.000 0.290 132 G C -0.127 174.256 174.900 -0.862 0.000 1.426 132 G CA -0.429 44.324 45.100 -0.579 0.000 0.794 132 G HN -0.110 nan 8.290 nan 0.000 0.483 133 N N -0.876 117.562 118.700 -0.437 0.000 2.439 133 N HA 0.217 4.948 4.740 -0.014 0.000 0.176 133 N C 1.129 176.626 175.510 -0.021 0.000 1.029 133 N CA 1.286 54.198 53.050 -0.231 0.000 0.886 133 N CB 1.256 39.728 38.487 -0.025 0.000 1.057 133 N HN 0.825 nan 8.380 nan 0.000 0.437 134 G N -0.691 108.198 108.800 0.148 0.000 2.825 134 G HA2 0.174 4.125 3.960 -0.014 0.000 0.100 134 G HA3 0.174 4.125 3.960 -0.014 0.000 0.100 134 G C 0.718 175.775 174.900 0.263 0.000 1.195 134 G CA 0.229 45.531 45.100 0.336 0.000 1.317 134 G HN 0.159 nan 8.290 nan 0.000 0.632 135 G N 0.430 109.317 108.800 0.145 0.000 2.446 135 G HA2 -0.076 3.875 3.960 -0.014 0.000 0.217 135 G HA3 -0.076 3.875 3.960 -0.014 0.000 0.217 135 G C 1.891 176.799 174.900 0.013 0.000 1.168 135 G CA 1.562 46.703 45.100 0.069 0.000 0.771 135 G HN 0.856 nan 8.290 nan 0.000 0.551 136 L N 0.555 121.751 121.223 -0.046 0.000 2.046 136 L HA 0.108 4.439 4.340 -0.014 0.000 0.208 136 L C 2.799 179.598 176.870 -0.117 0.000 1.077 136 L CA 1.971 56.676 54.840 -0.225 0.000 0.747 136 L CB -0.567 41.289 42.059 -0.339 0.000 0.896 136 L HN 0.232 nan 8.230 nan 0.000 0.432 137 G N -0.595 108.203 108.800 -0.002 0.000 2.408 137 G HA2 -0.292 3.660 3.960 -0.014 0.000 0.217 137 G HA3 -0.292 3.660 3.960 -0.014 0.000 0.217 137 G C 1.639 176.628 174.900 0.148 0.000 1.150 137 G CA 0.664 45.791 45.100 0.045 0.000 0.776 137 G HN 0.301 nan 8.290 nan 0.000 0.542 138 R N -0.012 120.611 120.500 0.205 0.000 2.115 138 R HA 0.150 4.481 4.340 -0.014 0.000 0.226 138 R C 2.290 178.612 176.300 0.037 0.000 1.100 138 R CA 0.726 56.911 56.100 0.142 0.000 0.980 138 R CB -0.851 29.486 30.300 0.063 0.000 0.875 138 R HN 0.323 nan 8.270 nan 0.000 0.445 139 L N 0.186 121.364 121.223 -0.075 0.000 2.046 139 L HA -0.009 4.323 4.340 -0.014 0.000 0.208 139 L C 2.075 178.684 176.870 -0.434 0.000 1.077 139 L CA 2.125 56.783 54.840 -0.304 0.000 0.747 139 L CB -0.802 41.036 42.059 -0.368 0.000 0.896 139 L HN 0.257 nan 8.230 nan 0.000 0.432 140 A N -0.583 122.116 122.820 -0.202 0.000 1.908 140 A HA -0.165 4.146 4.320 -0.014 0.000 0.218 140 A C 2.447 180.116 177.584 0.142 0.000 1.181 140 A CA 1.922 53.921 52.037 -0.063 0.000 0.627 140 A CB -1.162 17.751 19.000 -0.144 0.000 0.818 140 A HN 0.566 nan 8.150 nan 0.000 0.445 141 A N -1.061 121.868 122.820 0.181 0.000 1.873 141 A HA -0.159 4.153 4.320 -0.014 0.000 0.215 141 A C 2.325 179.995 177.584 0.143 0.000 1.186 141 A CA 1.650 53.809 52.037 0.204 0.000 0.616 141 A CB -1.298 17.806 19.000 0.173 0.000 0.823 141 A HN 0.600 nan 8.150 nan 0.000 0.442 142 C N -1.501 117.885 119.300 0.143 0.000 2.429 142 C HA -0.082 4.370 4.460 -0.014 0.000 0.277 142 C C 2.432 177.591 174.990 0.282 0.000 1.262 142 C CA 0.706 59.845 59.018 0.201 0.000 1.733 142 C CB -1.638 26.241 27.740 0.231 0.000 2.010 142 C HN 0.605 nan 8.230 nan 0.000 0.483 143 F N 1.210 121.148 119.950 -0.020 0.000 2.126 143 F HA -0.088 4.430 4.527 -0.014 0.000 0.299 143 F C 2.235 177.975 175.800 -0.100 0.000 1.096 143 F CA 1.081 59.011 58.000 -0.117 0.000 1.255 143 F CB -1.341 37.447 39.000 -0.354 0.000 0.997 143 F HN 0.203 nan 8.300 nan 0.000 0.479 144 L N -0.480 120.821 121.223 0.130 0.000 2.046 144 L HA -0.245 4.086 4.340 -0.014 0.000 0.208 144 L C 2.162 179.043 176.870 0.019 0.000 1.077 144 L CA 1.928 56.798 54.840 0.050 0.000 0.747 144 L CB -0.799 41.291 42.059 0.052 0.000 0.896 144 L HN 0.098 nan 8.230 nan 0.000 0.432 145 D N -0.419 120.003 120.400 0.036 0.000 2.097 145 D HA -0.177 4.454 4.640 -0.014 0.000 0.195 145 D C 2.218 178.533 176.300 0.026 0.000 0.989 145 D CA 1.550 55.558 54.000 0.013 0.000 0.827 145 D CB 0.194 41.000 40.800 0.010 0.000 0.966 145 D HN 0.080 nan 8.370 nan 0.000 0.456 146 S N -0.727 115.004 115.700 0.051 0.000 2.368 146 S HA -0.118 4.344 4.470 -0.014 0.000 0.224 146 S C 2.006 176.614 174.600 0.015 0.000 1.029 146 S CA 0.910 59.131 58.200 0.035 0.000 0.988 146 S CB -0.234 62.991 63.200 0.041 0.000 0.838 146 S HN 0.339 nan 8.310 nan 0.000 0.462 147 M N 1.002 120.602 119.600 0.001 0.000 2.117 147 M HA -0.124 4.347 4.480 -0.014 0.000 0.262 147 M C 2.457 178.757 176.300 0.000 0.000 1.065 147 M CA 1.498 56.796 55.300 -0.003 0.000 1.114 147 M CB -0.535 32.045 32.600 -0.034 0.000 1.361 147 M HN 0.401 nan 8.290 nan 0.000 0.408 148 A N -0.292 122.525 122.820 -0.004 0.000 1.898 148 A HA -0.122 4.189 4.320 -0.014 0.000 0.216 148 A C 2.167 179.766 177.584 0.024 0.000 1.181 148 A CA 2.040 54.079 52.037 0.004 0.000 0.620 148 A CB -1.097 17.889 19.000 -0.023 0.000 0.819 148 A HN 0.422 nan 8.150 nan 0.000 0.442 149 T N 0.309 114.882 114.554 0.032 0.000 2.833 149 T HA -0.028 4.313 4.350 -0.014 0.000 0.269 149 T C 1.306 176.036 174.700 0.049 0.000 1.054 149 T CA 1.189 63.322 62.100 0.055 0.000 1.135 149 T CB -0.277 68.632 68.868 0.068 0.000 0.869 149 T HN 0.342 nan 8.240 nan 0.000 0.466 150 L N 0.342 121.589 121.223 0.041 0.000 2.653 150 L HA 0.307 4.638 4.340 -0.014 0.000 0.231 150 L C 1.638 178.539 176.870 0.050 0.000 1.153 150 L CA -0.036 54.829 54.840 0.043 0.000 0.933 150 L CB -0.343 41.739 42.059 0.039 0.000 1.175 150 L HN 0.402 nan 8.230 nan 0.000 0.473 151 G N 1.082 109.917 108.800 0.058 0.000 2.225 151 G HA2 -0.287 3.665 3.960 -0.014 0.000 0.267 151 G HA3 -0.287 3.665 3.960 -0.014 0.000 0.267 151 G C 0.141 175.092 174.900 0.084 0.000 1.024 151 G CA 0.039 45.193 45.100 0.089 0.000 0.784 151 G HN 0.288 nan 8.290 nan 0.000 0.507 152 L N -0.070 121.170 121.223 0.030 0.000 2.350 152 L HA 0.594 4.926 4.340 -0.014 0.000 0.275 152 L C 1.259 178.012 176.870 -0.194 0.000 1.099 152 L CA -0.300 54.509 54.840 -0.053 0.000 0.808 152 L CB 1.501 43.541 42.059 -0.030 0.000 1.149 152 L HN 0.253 nan 8.230 nan 0.000 0.442 153 A N 3.097 125.658 122.820 -0.432 0.000 2.981 153 A HA 0.544 4.856 4.320 -0.014 0.000 0.280 153 A C 0.326 177.560 177.584 -0.583 0.000 1.743 153 A CA -0.127 51.375 52.037 -0.892 0.000 1.430 153 A CB -0.707 17.644 19.000 -1.082 0.000 1.085 153 A HN 0.703 nan 8.150 nan 0.000 0.597 154 A N 1.417 123.938 122.820 -0.498 0.000 2.340 154 A HA 0.803 5.115 4.320 -0.014 0.000 0.331 154 A C -1.030 176.274 177.584 -0.466 0.000 1.140 154 A CA -0.477 51.333 52.037 -0.378 0.000 0.801 154 A CB 0.815 19.668 19.000 -0.246 0.000 1.234 154 A HN 0.614 nan 8.150 nan 0.000 0.469 155 Y N 0.281 120.524 120.300 -0.094 0.000 2.373 155 Y HA 0.527 5.069 4.550 -0.014 0.000 0.336 155 Y C 0.841 176.840 175.900 0.165 0.000 0.979 155 Y CA -0.565 57.558 58.100 0.039 0.000 1.080 155 Y CB 2.364 40.940 38.460 0.193 0.000 1.190 155 Y HN 0.839 nan 8.280 nan 0.000 0.446 156 G N 2.363 111.256 108.800 0.156 0.000 2.339 156 G HA2 0.409 4.361 3.960 -0.014 0.000 0.287 156 G HA3 0.409 4.361 3.960 -0.014 0.000 0.287 156 G C -1.632 173.292 174.900 0.040 0.000 1.163 156 G CA -0.168 45.048 45.100 0.193 0.000 0.872 156 G HN 0.530 nan 8.290 nan 0.000 0.464 157 Y N 1.152 121.687 120.300 0.391 0.000 2.364 157 Y HA 0.629 5.171 4.550 -0.014 0.000 0.340 157 Y C 0.795 177.007 175.900 0.519 0.000 0.975 157 Y CA 0.264 58.563 58.100 0.331 0.000 1.089 157 Y CB 2.665 41.344 38.460 0.366 0.000 1.192 157 Y HN 0.858 nan 8.280 nan 0.000 0.454 158 G N 2.301 111.423 108.800 0.536 0.000 2.753 158 G HA2 0.581 4.533 3.960 -0.014 0.000 0.303 158 G HA3 0.581 4.533 3.960 -0.014 0.000 0.303 158 G C -1.778 173.362 174.900 0.400 0.000 1.242 158 G CA -0.825 44.617 45.100 0.570 0.000 0.810 158 G HN 0.431 nan 8.290 nan 0.000 0.515 159 I N 0.673 121.378 120.570 0.225 0.000 2.433 159 I HA 0.427 4.588 4.170 -0.014 0.000 0.292 159 I C 0.249 176.285 176.117 -0.135 0.000 1.001 159 I CA -0.711 60.608 61.300 0.033 0.000 1.119 159 I CB 2.200 40.026 38.000 -0.290 0.000 1.289 159 I HN 0.349 nan 8.210 nan 0.000 0.438 160 R N 6.336 126.856 120.500 0.033 0.000 2.419 160 R HA 0.232 4.564 4.340 -0.014 0.000 0.305 160 R C -1.257 175.103 176.300 0.100 0.000 1.242 160 R CA -0.400 55.753 56.100 0.088 0.000 1.105 160 R CB -0.007 30.320 30.300 0.046 0.000 1.116 160 R HN 0.403 nan 8.270 nan 0.000 0.523 161 Y N 1.469 121.933 120.300 0.274 0.000 2.411 161 Y HA -0.062 4.479 4.550 -0.014 0.000 0.333 161 Y C 1.588 177.675 175.900 0.311 0.000 1.186 161 Y CA 0.016 58.268 58.100 0.253 0.000 1.381 161 Y CB 0.856 39.441 38.460 0.210 0.000 1.273 161 Y HN 0.589 nan 8.280 nan 0.000 0.546 162 E N 1.951 122.346 120.200 0.325 0.000 2.152 162 E HA -0.037 4.305 4.350 -0.014 0.000 0.192 162 E C -0.763 175.732 176.600 -0.175 0.000 0.983 162 E CA 0.613 57.011 56.400 -0.004 0.000 0.818 162 E CB 0.195 29.792 29.700 -0.171 0.000 0.758 162 E HN 0.513 nan 8.360 nan 0.000 0.467 163 F N -0.090 120.078 119.950 0.363 0.000 2.460 163 F HA 0.435 4.954 4.527 -0.014 0.000 0.341 163 F C 0.780 176.670 175.800 0.151 0.000 1.130 163 F CA -0.870 57.300 58.000 0.283 0.000 0.962 163 F CB 1.823 40.922 39.000 0.165 0.000 1.171 163 F HN -0.099 nan 8.300 nan 0.000 0.436 164 G N 1.914 110.823 108.800 0.182 0.000 2.504 164 G HA2 0.315 4.267 3.960 -0.014 0.000 0.257 164 G HA3 0.315 4.267 3.960 -0.014 0.000 0.257 164 G C -0.447 174.419 174.900 -0.056 0.000 1.451 164 G CA -0.669 44.383 45.100 -0.079 0.000 1.059 164 G HN 0.544 nan 8.290 nan 0.000 0.550 165 I N 0.925 121.387 120.570 -0.181 0.000 2.752 165 I HA 0.179 4.340 4.170 -0.014 0.000 0.289 165 I C 0.573 176.606 176.117 -0.140 0.000 1.197 165 I CA -0.963 60.205 61.300 -0.220 0.000 1.432 165 I CB -0.305 37.467 38.000 -0.380 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.262 126.227 119.950 0.026 0.000 2.595 166 F HA 0.236 4.755 4.527 -0.014 0.000 0.359 166 F C 0.554 176.407 175.800 0.089 0.000 1.147 166 F CA -0.619 57.418 58.000 0.062 0.000 1.341 166 F CB -0.338 38.685 39.000 0.039 0.000 1.104 166 F HN 0.419 nan 8.300 nan 0.000 0.603 167 N N 2.458 121.328 118.700 0.284 0.000 2.470 167 N HA 0.026 4.757 4.740 -0.014 0.000 0.268 167 N C -0.728 175.014 175.510 0.388 0.000 1.136 167 N CA -0.199 52.996 53.050 0.241 0.000 0.961 167 N CB 1.096 39.712 38.487 0.215 0.000 1.067 167 N HN 0.757 nan 8.380 nan 0.000 0.468 168 Q N 2.640 122.640 119.800 0.334 0.000 2.296 168 Q HA 0.148 4.479 4.340 -0.014 0.000 0.257 168 Q C -0.916 175.253 176.000 0.281 0.000 0.942 168 Q CA -0.403 55.634 55.803 0.391 0.000 0.939 168 Q CB 0.630 29.600 28.738 0.387 0.000 1.198 168 Q HN 0.217 nan 8.270 nan 0.000 0.429 169 K N 4.116 124.659 120.400 0.238 0.000 2.203 169 K HA 0.472 4.783 4.320 -0.014 0.000 0.251 169 K C -0.566 176.136 176.600 0.171 0.000 0.944 169 K CA -0.874 55.530 56.287 0.195 0.000 0.829 169 K CB 1.530 34.124 32.500 0.157 0.000 1.125 169 K HN 0.628 nan 8.250 nan 0.000 0.430 170 I N 1.832 122.495 120.570 0.155 0.000 2.330 170 I HA 0.172 4.334 4.170 -0.014 0.000 0.289 170 I C -0.216 175.961 176.117 0.101 0.000 1.001 170 I CA -0.707 60.657 61.300 0.106 0.000 1.193 170 I CB 0.996 39.044 38.000 0.080 0.000 1.345 170 I HN 0.456 nan 8.210 nan 0.000 0.461 171 C N 4.986 124.355 119.300 0.115 0.000 2.346 171 C HA 0.622 5.074 4.460 -0.014 0.000 0.326 171 C C 1.140 176.234 174.990 0.173 0.000 1.224 171 C CA 0.242 59.334 59.018 0.123 0.000 1.408 171 C CB -0.032 27.776 27.740 0.112 0.000 2.089 171 C HN 1.098 nan 8.230 nan 0.000 0.456 172 G N 3.902 112.777 108.800 0.124 0.000 2.225 172 G HA2 0.062 4.014 3.960 -0.014 0.000 0.267 172 G HA3 0.062 4.014 3.960 -0.014 0.000 0.267 172 G C 1.202 176.110 174.900 0.014 0.000 1.024 172 G CA 1.183 46.362 45.100 0.131 0.000 0.784 172 G HN 2.554 nan 8.290 nan 0.000 0.507 173 G N -2.878 105.877 108.800 -0.075 0.000 2.176 173 G HA2 -0.293 3.659 3.960 -0.014 0.000 0.253 173 G HA3 -0.293 3.659 3.960 -0.014 0.000 0.253 173 G C 0.354 175.007 174.900 -0.411 0.000 0.979 173 G CA 0.611 45.542 45.100 -0.282 0.000 0.641 173 G HN 1.184 nan 8.290 nan 0.000 0.530 174 W N 1.034 122.282 121.300 -0.087 0.000 2.496 174 W HA 0.650 5.301 4.660 -0.014 0.000 0.327 174 W C 0.676 177.144 176.519 -0.086 0.000 1.086 174 W CA -0.876 56.411 57.345 -0.096 0.000 1.222 174 W CB 0.845 30.265 29.460 -0.066 0.000 1.304 174 W HN 0.257 nan 8.180 nan 0.000 0.547 175 Q N 3.476 123.369 119.800 0.154 0.000 2.311 175 Q HA 0.175 4.506 4.340 -0.014 0.000 0.272 175 Q C -0.516 175.545 176.000 0.101 0.000 1.012 175 Q CA 0.259 56.128 55.803 0.110 0.000 0.891 175 Q CB 0.520 29.315 28.738 0.094 0.000 1.201 175 Q HN 0.330 nan 8.270 nan 0.000 0.391 176 M N 3.112 122.767 119.600 0.092 0.000 2.456 176 M HA 0.393 4.864 4.480 -0.014 0.000 0.324 176 M C -1.058 175.257 176.300 0.026 0.000 1.124 176 M CA -0.708 54.613 55.300 0.036 0.000 0.959 176 M CB 1.795 34.427 32.600 0.054 0.000 1.692 176 M HN 0.593 nan 8.290 nan 0.000 0.444 177 E N 1.639 121.785 120.200 -0.090 0.000 2.179 177 E HA 0.467 4.808 4.350 -0.014 0.000 0.275 177 E C -0.739 175.863 176.600 0.002 0.000 0.945 177 E CA -0.575 55.745 56.400 -0.134 0.000 0.792 177 E CB 1.647 31.002 29.700 -0.575 0.000 1.125 177 E HN 0.532 nan 8.360 nan 0.000 0.397 178 E N 0.854 121.134 120.200 0.133 0.000 2.343 178 E HA 0.731 5.073 4.350 -0.014 0.000 0.270 178 E C -1.055 175.642 176.600 0.161 0.000 0.895 178 E CA -1.548 54.918 56.400 0.109 0.000 0.767 178 E CB 1.413 31.180 29.700 0.112 0.000 1.248 178 E HN 0.444 nan 8.360 nan 0.000 0.440 179 A N 1.959 124.834 122.820 0.092 0.000 2.546 179 A HA 0.042 4.353 4.320 -0.014 0.000 0.243 179 A C -0.097 177.669 177.584 0.302 0.000 1.063 179 A CA 0.276 52.381 52.037 0.114 0.000 0.757 179 A CB -0.140 18.804 19.000 -0.094 0.000 0.991 179 A HN 0.693 nan 8.150 nan 0.000 0.503 180 D N 1.870 122.513 120.400 0.406 0.000 2.483 180 D HA 0.182 4.814 4.640 -0.014 0.000 0.220 180 D C -0.406 176.219 176.300 0.541 0.000 1.173 180 D CA -0.132 54.108 54.000 0.400 0.000 0.964 180 D CB 0.298 41.265 40.800 0.279 0.000 1.046 180 D HN 0.380 nan 8.370 nan 0.000 0.517 181 D N 3.791 124.464 120.400 0.456 0.000 2.801 181 D HA -0.017 4.614 4.640 -0.014 0.000 0.232 181 D C 1.091 177.504 176.300 0.188 0.000 1.128 181 D CA -0.533 53.636 54.000 0.281 0.000 1.003 181 D CB -0.175 40.795 40.800 0.284 0.000 1.110 181 D HN 0.565 nan 8.370 nan 0.000 0.477 182 W N 1.689 123.008 121.300 0.031 0.000 2.525 182 W HA -0.028 4.623 4.660 -0.014 0.000 0.259 182 W C 0.186 176.750 176.519 0.076 0.000 1.253 182 W CA 0.090 57.482 57.345 0.079 0.000 1.262 182 W CB -0.729 28.783 29.460 0.087 0.000 1.122 182 W HN 0.164 nan 8.180 nan 0.000 0.607 183 L N 0.905 121.745 121.223 -0.638 0.000 2.592 183 L HA 0.164 4.495 4.340 -0.014 0.000 0.227 183 L C 2.759 179.452 176.870 -0.296 0.000 1.127 183 L CA 0.030 54.479 54.840 -0.653 0.000 0.884 183 L CB -0.654 40.908 42.059 -0.828 0.000 1.065 183 L HN -0.105 nan 8.230 nan 0.000 0.457 184 R N 0.657 121.034 120.500 -0.204 0.000 2.112 184 R HA -0.242 4.090 4.340 -0.014 0.000 0.242 184 R C 1.489 177.603 176.300 -0.311 0.000 1.137 184 R CA 2.205 58.142 56.100 -0.272 0.000 0.944 184 R CB -0.255 29.838 30.300 -0.345 0.000 0.857 184 R HN 0.288 nan 8.270 nan 0.000 0.435 185 Y N -0.344 119.968 120.300 0.020 0.000 2.461 185 Y HA 0.310 4.851 4.550 -0.014 0.000 0.277 185 Y C 0.852 176.733 175.900 -0.032 0.000 1.182 185 Y CA 0.448 58.571 58.100 0.039 0.000 1.276 185 Y CB 0.610 39.214 38.460 0.241 0.000 1.087 185 Y HN 0.449 nan 8.280 nan 0.000 0.519 186 G N 1.306 110.136 108.800 0.050 0.000 2.690 186 G HA2 -0.232 3.720 3.960 -0.014 0.000 0.686 186 G HA3 -0.232 3.720 3.960 -0.014 0.000 0.686 186 G C -1.200 173.763 174.900 0.105 0.000 1.277 186 G CA -0.788 44.306 45.100 -0.010 0.000 0.799 186 G HN 0.279 nan 8.290 nan 0.000 0.613 187 N N 1.381 120.085 118.700 0.007 0.000 2.524 187 N HA 0.581 5.313 4.740 -0.014 0.000 0.261 187 N C -0.604 174.902 175.510 -0.007 0.000 0.998 187 N CA -2.031 51.047 53.050 0.046 0.000 0.915 187 N CB 2.004 40.456 38.487 -0.060 0.000 1.187 187 N HN 0.236 nan 8.380 nan 0.000 0.507 188 P HA 0.012 nan 4.420 nan 0.000 0.229 188 P C 0.629 177.624 177.300 -0.509 0.000 1.160 188 P CA 0.763 63.550 63.100 -0.521 0.000 0.777 188 P CB 0.110 31.190 31.700 -1.034 0.000 0.814 189 W N 1.925 123.231 121.300 0.011 0.000 2.576 189 W HA 0.040 4.692 4.660 -0.014 0.000 0.270 189 W C 1.313 177.871 176.519 0.065 0.000 1.255 189 W CA -0.313 57.036 57.345 0.007 0.000 1.314 189 W CB -0.288 29.179 29.460 0.011 0.000 1.101 189 W HN 0.010 nan 8.180 nan 0.000 0.595 190 E N 1.723 122.097 120.200 0.290 0.000 2.319 190 E HA 0.322 4.663 4.350 -0.014 0.000 0.268 190 E C -0.657 176.116 176.600 0.290 0.000 1.050 190 E CA -0.733 55.851 56.400 0.306 0.000 0.878 190 E CB 1.333 31.222 29.700 0.314 0.000 1.066 190 E HN -0.308 nan 8.360 nan 0.000 0.406 191 K N 1.579 122.168 120.400 0.315 0.000 2.535 191 K HA 0.411 4.723 4.320 -0.014 0.000 0.253 191 K C -1.149 175.479 176.600 0.047 0.000 0.953 191 K CA -0.467 55.934 56.287 0.189 0.000 0.863 191 K CB 1.561 34.171 32.500 0.184 0.000 1.111 191 K HN 0.668 nan 8.250 nan 0.000 0.431 192 A N 4.240 126.996 122.820 -0.107 0.000 2.540 192 A HA 0.252 4.563 4.320 -0.014 0.000 0.239 192 A C -0.231 177.146 177.584 -0.344 0.000 1.061 192 A CA 0.045 51.750 52.037 -0.554 0.000 0.758 192 A CB 0.172 18.861 19.000 -0.519 0.000 0.991 192 A HN 0.681 nan 8.150 nan 0.000 0.502 193 R N 3.385 123.664 120.500 -0.367 0.000 2.983 193 R HA 0.196 4.528 4.340 -0.014 0.000 0.300 193 R C -2.330 173.804 176.300 -0.277 0.000 1.367 193 R CA -1.692 54.253 56.100 -0.259 0.000 1.564 193 R CB 0.550 30.838 30.300 -0.019 0.000 1.314 193 R HN 0.566 nan 8.270 nan 0.000 0.622 194 P HA -0.197 nan 4.420 nan 0.000 0.221 194 P C 0.946 178.138 177.300 -0.179 0.000 1.145 194 P CA 1.156 64.154 63.100 -0.169 0.000 0.795 194 P CB 0.354 31.968 31.700 -0.143 0.000 0.775 195 E N -0.263 119.716 120.200 -0.368 0.000 2.338 195 E HA -0.140 4.202 4.350 -0.014 0.000 0.197 195 E C 0.545 176.932 176.600 -0.355 0.000 1.007 195 E CA 0.919 57.051 56.400 -0.446 0.000 0.849 195 E CB -0.798 28.491 29.700 -0.685 0.000 0.774 195 E HN 0.277 nan 8.360 nan 0.000 0.506 196 F N 1.870 121.836 119.950 0.027 0.000 2.750 196 F HA 0.293 4.812 4.527 -0.014 0.000 0.297 196 F C 0.401 176.297 175.800 0.160 0.000 1.138 196 F CA -0.778 57.269 58.000 0.079 0.000 1.346 196 F CB -0.115 38.927 39.000 0.070 0.000 0.965 196 F HN -0.307 nan 8.300 nan 0.000 0.514 197 T N 2.904 117.595 114.554 0.229 0.000 2.928 197 T HA 0.299 4.641 4.350 -0.014 0.000 0.305 197 T C -0.220 174.585 174.700 0.175 0.000 1.035 197 T CA 0.391 62.623 62.100 0.221 0.000 1.145 197 T CB 0.675 69.620 68.868 0.130 0.000 0.963 197 T HN -0.139 nan 8.240 nan 0.000 0.545 198 L N 5.597 126.894 121.223 0.123 0.000 2.401 198 L HA 0.555 4.886 4.340 -0.014 0.000 0.266 198 L C -2.257 174.576 176.870 -0.060 0.000 0.991 198 L CA -2.585 52.257 54.840 0.003 0.000 0.818 198 L CB 2.014 44.008 42.059 -0.108 0.000 1.321 198 L HN 0.382 nan 8.230 nan 0.000 0.413 199 P HA 0.365 nan 4.420 nan 0.000 0.284 199 P C -1.139 176.038 177.300 -0.205 0.000 1.253 199 P CA -0.364 62.659 63.100 -0.128 0.000 0.800 199 P CB 1.620 33.238 31.700 -0.137 0.000 0.961 200 V N 3.914 123.693 119.914 -0.225 0.000 2.604 200 V HA 0.327 4.439 4.120 -0.014 0.000 0.305 200 V C 0.204 176.077 176.094 -0.369 0.000 1.043 200 V CA -0.613 61.537 62.300 -0.250 0.000 0.888 200 V CB 1.354 33.083 31.823 -0.156 0.000 0.995 200 V HN 0.596 nan 8.190 nan 0.000 0.429 201 H N 3.865 122.778 119.070 -0.263 0.000 2.463 201 H HA 0.608 5.156 4.556 -0.014 0.000 0.332 201 H C -1.276 173.774 175.328 -0.464 0.000 1.127 201 H CA -0.137 55.676 56.048 -0.390 0.000 1.238 201 H CB 1.869 31.161 29.762 -0.783 0.000 1.478 201 H HN 0.480 nan 8.280 nan 0.000 0.499 202 F N 0.451 120.460 119.950 0.098 0.000 2.613 202 F HA 0.209 4.727 4.527 -0.014 0.000 0.314 202 F C -0.220 175.706 175.800 0.212 0.000 1.075 202 F CA -0.537 57.535 58.000 0.119 0.000 0.945 202 F CB 1.145 40.145 39.000 -0.000 0.000 1.310 202 F HN 0.567 nan 8.300 nan 0.000 0.467 203 Y N 0.223 120.823 120.300 0.500 0.000 2.904 203 Y HA -0.036 4.506 4.550 -0.014 0.000 0.466 203 Y C 1.382 177.534 175.900 0.419 0.000 1.202 203 Y CA 0.674 58.988 58.100 0.355 0.000 2.492 203 Y CB -1.926 36.670 38.460 0.227 0.000 1.237 203 Y HN 1.259 nan 8.280 nan 0.000 0.633 204 G N 0.735 109.807 108.800 0.453 0.000 2.598 204 G HA2 0.073 4.024 3.960 -0.014 0.000 0.244 204 G HA3 0.073 4.024 3.960 -0.014 0.000 0.244 204 G C -0.521 174.594 174.900 0.359 0.000 1.302 204 G CA 1.027 46.318 45.100 0.317 0.000 0.903 204 G HN 1.376 nan 8.290 nan 0.000 0.575 205 R N -2.555 118.155 120.500 0.350 0.000 2.752 205 R HA 0.700 5.031 4.340 -0.014 0.000 0.271 205 R C -1.368 175.074 176.300 0.236 0.000 1.026 205 R CA -0.943 55.305 56.100 0.246 0.000 0.901 205 R CB 1.253 31.643 30.300 0.150 0.000 1.243 205 R HN 0.903 nan 8.270 nan 0.000 0.463 206 V N 0.768 120.735 119.914 0.089 0.000 2.427 206 V HA 0.378 4.489 4.120 -0.014 0.000 0.286 206 V C -0.189 175.851 176.094 -0.089 0.000 1.034 206 V CA -0.509 61.772 62.300 -0.031 0.000 0.893 206 V CB 1.313 33.051 31.823 -0.142 0.000 0.982 206 V HN 0.729 nan 8.190 nan 0.000 0.452 207 E N 2.837 122.951 120.200 -0.142 0.000 2.187 207 E HA 0.425 4.767 4.350 -0.014 0.000 0.268 207 E C -1.142 175.311 176.600 -0.246 0.000 0.896 207 E CA -0.719 55.616 56.400 -0.109 0.000 0.766 207 E CB 1.024 30.710 29.700 -0.023 0.000 1.142 207 E HN 0.730 nan 8.360 nan 0.000 0.408 208 H N 2.114 121.199 119.070 0.025 0.000 2.459 208 H HA 0.290 4.838 4.556 -0.014 0.000 0.332 208 H C 0.097 175.434 175.328 0.015 0.000 1.094 208 H CA -0.293 55.765 56.048 0.016 0.000 1.224 208 H CB 1.712 31.479 29.762 0.008 0.000 1.449 208 H HN 0.614 nan 8.280 nan 0.000 0.484 209 T N -1.208 113.415 114.554 0.116 0.000 2.773 209 T HA 0.219 4.560 4.350 -0.014 0.000 0.278 209 T C 1.252 175.991 174.700 0.065 0.000 1.011 209 T CA -0.740 61.402 62.100 0.071 0.000 1.014 209 T CB 1.138 70.030 68.868 0.041 0.000 1.293 209 T HN 0.335 nan 8.240 nan 0.000 0.554 210 S N -0.070 115.656 115.700 0.043 0.000 2.399 210 S HA -0.050 4.411 4.470 -0.014 0.000 0.231 210 S C 1.293 175.914 174.600 0.035 0.000 1.022 210 S CA 1.047 59.268 58.200 0.034 0.000 0.983 210 S CB -0.403 62.813 63.200 0.025 0.000 0.803 210 S HN 0.659 nan 8.310 nan 0.000 0.480 211 Q N 0.837 120.657 119.800 0.034 0.000 2.399 211 Q HA 0.461 4.792 4.340 -0.014 0.000 0.307 211 Q C 0.781 176.803 176.000 0.037 0.000 0.933 211 Q CA 0.210 56.032 55.803 0.031 0.000 0.995 211 Q CB -0.129 28.623 28.738 0.024 0.000 1.191 211 Q HN 0.463 nan 8.270 nan 0.000 0.426 212 G N 0.131 108.965 108.800 0.056 0.000 2.645 212 G HA2 -0.141 3.810 3.960 -0.014 0.000 0.239 212 G HA3 -0.141 3.810 3.960 -0.014 0.000 0.239 212 G C -0.286 174.655 174.900 0.067 0.000 1.331 212 G CA -0.639 44.507 45.100 0.078 0.000 0.890 212 G HN 0.637 nan 8.290 nan 0.000 0.572 213 A N -0.147 122.698 122.820 0.041 0.000 2.322 213 A HA 0.694 5.005 4.320 -0.014 0.000 0.269 213 A C 0.454 177.990 177.584 -0.080 0.000 1.094 213 A CA 0.454 52.428 52.037 -0.105 0.000 0.807 213 A CB 0.663 19.569 19.000 -0.157 0.000 1.047 213 A HN 0.733 nan 8.150 nan 0.000 0.487 214 K N 0.784 121.119 120.400 -0.107 0.000 2.507 214 K HA 0.174 4.486 4.320 -0.014 0.000 0.251 214 K C -1.946 174.685 176.600 0.052 0.000 0.943 214 K CA -0.334 55.941 56.287 -0.019 0.000 0.794 214 K CB 2.019 34.510 32.500 -0.015 0.000 1.188 214 K HN 0.754 nan 8.250 nan 0.000 0.428 215 W N 5.536 126.755 121.300 -0.135 0.000 2.308 215 W HA 0.344 4.995 4.660 -0.014 0.000 0.311 215 W C -0.595 175.865 176.519 -0.097 0.000 1.088 215 W CA -0.754 56.519 57.345 -0.120 0.000 1.309 215 W CB 0.131 29.508 29.460 -0.138 0.000 1.229 215 W HN 0.279 nan 8.180 nan 0.000 0.427 216 V N 2.778 122.751 119.914 0.099 0.000 3.126 216 V HA 0.607 4.719 4.120 -0.014 0.000 0.314 216 V C -0.177 175.902 176.094 -0.024 0.000 1.138 216 V CA -0.978 61.305 62.300 -0.029 0.000 1.034 216 V CB 1.995 33.827 31.823 0.015 0.000 1.075 216 V HN 0.458 nan 8.190 nan 0.000 0.442 217 D N 0.227 120.612 120.400 -0.026 0.000 2.837 217 D HA -0.138 4.493 4.640 -0.014 0.000 0.230 217 D C 0.552 176.862 176.300 0.017 0.000 1.152 217 D CA 1.560 55.566 54.000 0.010 0.000 0.736 217 D CB -1.579 39.248 40.800 0.045 0.000 1.084 217 D HN 1.324 nan 8.370 nan 0.000 0.429 218 T N -2.795 111.724 114.554 -0.058 0.000 2.882 218 T HA 0.472 4.814 4.350 -0.014 0.000 0.287 218 T C 0.488 175.241 174.700 0.088 0.000 1.014 218 T CA -0.731 61.349 62.100 -0.034 0.000 1.049 218 T CB 1.889 70.578 68.868 -0.300 0.000 1.001 218 T HN 0.039 nan 8.240 nan 0.000 0.525 219 Q N 0.623 120.543 119.800 0.200 0.000 2.259 219 Q HA 0.539 4.870 4.340 -0.014 0.000 0.249 219 Q C -0.882 175.229 176.000 0.185 0.000 0.914 219 Q CA -0.826 55.113 55.803 0.226 0.000 0.904 219 Q CB 1.710 30.658 28.738 0.350 0.000 1.213 219 Q HN 0.509 nan 8.270 nan 0.000 0.428 220 V N 3.217 123.200 119.914 0.116 0.000 2.398 220 V HA 0.345 4.456 4.120 -0.014 0.000 0.286 220 V C -0.335 175.835 176.094 0.127 0.000 1.026 220 V CA -0.603 61.684 62.300 -0.023 0.000 0.868 220 V CB 1.644 33.401 31.823 -0.110 0.000 0.982 220 V HN 0.488 nan 8.190 nan 0.000 0.443 221 V N 6.286 126.291 119.914 0.152 0.000 2.495 221 V HA 0.472 4.584 4.120 -0.014 0.000 0.298 221 V C -0.063 176.126 176.094 0.159 0.000 1.031 221 V CA -0.643 61.770 62.300 0.189 0.000 0.871 221 V CB 1.871 33.887 31.823 0.321 0.000 0.988 221 V HN 0.634 nan 8.190 nan 0.000 0.432 222 L N 3.738 125.045 121.223 0.141 0.000 2.371 222 L HA 0.692 5.024 4.340 -0.014 0.000 0.272 222 L C 0.494 177.542 176.870 0.296 0.000 1.124 222 L CA -0.240 54.689 54.840 0.149 0.000 0.816 222 L CB 1.183 43.308 42.059 0.110 0.000 1.129 222 L HN 0.750 nan 8.230 nan 0.000 0.448 223 A N 5.242 128.193 122.820 0.219 0.000 2.267 223 A HA 0.580 4.891 4.320 -0.014 0.000 0.315 223 A C -0.474 177.381 177.584 0.452 0.000 1.297 223 A CA -0.471 51.733 52.037 0.279 0.000 0.865 223 A CB 0.898 19.638 19.000 -0.433 0.000 1.165 223 A HN 0.785 nan 8.150 nan 0.000 0.513 224 M N 5.861 125.784 119.600 0.539 0.000 2.129 224 M HA 0.446 4.917 4.480 -0.014 0.000 0.348 224 M C -2.607 173.952 176.300 0.431 0.000 1.116 224 M CA -2.180 53.372 55.300 0.419 0.000 1.022 224 M CB 1.960 34.724 32.600 0.272 0.000 1.599 224 M HN 0.336 nan 8.290 nan 0.000 0.449 225 P HA 0.251 nan 4.420 nan 0.000 0.284 225 P C -1.913 175.313 177.300 -0.123 0.000 1.253 225 P CA 0.015 63.016 63.100 -0.164 0.000 0.800 225 P CB 0.471 31.906 31.700 -0.441 0.000 0.961 226 Y N 0.585 120.821 120.300 -0.107 0.000 2.331 226 Y HA 0.320 4.862 4.550 -0.014 0.000 0.334 226 Y C 0.158 176.049 175.900 -0.015 0.000 0.960 226 Y CA -0.339 57.755 58.100 -0.009 0.000 1.130 226 Y CB 1.282 39.768 38.460 0.044 0.000 1.164 226 Y HN 0.216 nan 8.280 nan 0.000 0.458 227 D N 2.041 122.553 120.400 0.186 0.000 2.198 227 D HA 0.376 5.008 4.640 -0.014 0.000 0.245 227 D C -0.551 175.988 176.300 0.398 0.000 1.079 227 D CA -0.192 53.965 54.000 0.260 0.000 0.854 227 D CB 1.654 42.634 40.800 0.299 0.000 1.148 227 D HN 0.367 nan 8.370 nan 0.000 0.456 228 T N 3.329 118.022 114.554 0.233 0.000 2.807 228 T HA 0.463 4.805 4.350 -0.014 0.000 0.279 228 T C -2.505 172.049 174.700 -0.244 0.000 0.993 228 T CA -1.511 60.623 62.100 0.057 0.000 0.970 228 T CB 1.971 70.862 68.868 0.038 0.000 0.950 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.283 nan 4.420 nan 0.000 0.275 229 P C -0.995 175.973 177.300 -0.553 0.000 1.227 229 P CA -0.364 62.052 63.100 -1.139 0.000 0.781 229 P CB 0.763 31.610 31.700 -1.421 0.000 0.906 230 V N 5.381 125.037 119.914 -0.430 0.000 2.305 230 V HA 0.265 4.377 4.120 -0.014 0.000 0.275 230 V C -2.083 173.882 176.094 -0.216 0.000 1.020 230 V CA -1.960 60.181 62.300 -0.265 0.000 0.811 230 V CB 1.318 33.035 31.823 -0.177 0.000 1.031 230 V HN 0.534 nan 8.190 nan 0.000 0.439 231 P HA 0.273 nan 4.420 nan 0.000 0.280 231 P C 0.407 177.658 177.300 -0.082 0.000 1.244 231 P CA 0.279 63.292 63.100 -0.144 0.000 0.784 231 P CB 1.520 33.131 31.700 -0.148 0.000 0.913 232 G N 2.294 111.064 108.800 -0.050 0.000 2.606 232 G HA2 0.103 4.054 3.960 -0.014 0.000 0.252 232 G HA3 0.103 4.054 3.960 -0.014 0.000 0.252 232 G C -1.107 173.805 174.900 0.019 0.000 1.206 232 G CA -0.540 44.558 45.100 -0.002 0.000 0.861 232 G HN 0.519 nan 8.290 nan 0.000 0.561 233 Y N 0.624 120.888 120.300 -0.061 0.000 2.584 233 Y HA 0.246 4.788 4.550 -0.014 0.000 0.351 233 Y C 1.295 177.159 175.900 -0.060 0.000 1.030 233 Y CA -0.211 57.849 58.100 -0.068 0.000 1.332 233 Y CB 0.126 38.544 38.460 -0.069 0.000 1.148 233 Y HN 0.720 nan 8.280 nan 0.000 0.528 234 R N 2.721 122.902 120.500 -0.531 0.000 3.722 234 R HA -0.325 4.007 4.340 -0.014 0.000 0.284 234 R C 0.130 176.284 176.300 -0.244 0.000 1.165 234 R CA 1.524 57.341 56.100 -0.472 0.000 0.779 234 R CB -1.873 27.980 30.300 -0.745 0.000 1.179 234 R HN 0.940 nan 8.270 nan 0.000 0.491 235 N N -1.180 117.432 118.700 -0.146 0.000 2.187 235 N HA 0.053 4.784 4.740 -0.014 0.000 0.212 235 N C -0.190 175.275 175.510 -0.074 0.000 1.152 235 N CA -0.278 52.721 53.050 -0.085 0.000 0.872 235 N CB 0.485 38.949 38.487 -0.038 0.000 1.025 235 N HN 0.086 nan 8.380 nan 0.000 0.514 236 N N -0.313 118.338 118.700 -0.081 0.000 2.778 236 N HA -0.141 4.591 4.740 -0.014 0.000 0.249 236 N C -0.893 174.582 175.510 -0.059 0.000 1.069 236 N CA 0.601 53.612 53.050 -0.065 0.000 0.831 236 N CB -1.348 37.101 38.487 -0.063 0.000 1.142 236 N HN 0.198 nan 8.380 nan 0.000 0.573 237 V N 1.234 121.118 119.914 -0.050 0.000 2.498 237 V HA 0.376 4.487 4.120 -0.014 0.000 0.279 237 V C 0.599 176.671 176.094 -0.037 0.000 1.048 237 V CA -0.408 61.872 62.300 -0.034 0.000 0.967 237 V CB 2.002 33.831 31.823 0.010 0.000 0.988 237 V HN -0.019 nan 8.190 nan 0.000 0.473 238 V N 5.597 125.496 119.914 -0.025 0.000 2.419 238 V HA 0.437 4.548 4.120 -0.014 0.000 0.287 238 V C -0.073 176.030 176.094 0.014 0.000 1.017 238 V CA -0.886 61.377 62.300 -0.062 0.000 0.844 238 V CB 1.442 33.207 31.823 -0.098 0.000 1.011 238 V HN 0.832 nan 8.190 nan 0.000 0.429 239 N N 1.936 120.612 118.700 -0.040 0.000 2.448 239 N HA 0.559 5.291 4.740 -0.014 0.000 0.274 239 N C -0.060 175.443 175.510 -0.011 0.000 1.239 239 N CA -0.289 52.754 53.050 -0.011 0.000 0.982 239 N CB 1.261 39.697 38.487 -0.085 0.000 1.199 239 N HN 0.574 nan 8.380 nan 0.000 0.576 240 T N 0.816 115.372 114.554 0.003 0.000 2.824 240 T HA 0.381 4.723 4.350 -0.014 0.000 0.282 240 T C -0.239 174.443 174.700 -0.029 0.000 0.993 240 T CA -0.497 61.682 62.100 0.132 0.000 0.967 240 T CB 1.001 70.074 68.868 0.340 0.000 0.960 240 T HN 0.293 nan 8.240 nan 0.000 0.441 241 M N 3.954 123.500 119.600 -0.090 0.000 2.088 241 M HA 0.486 4.958 4.480 -0.014 0.000 0.346 241 M C -0.385 175.783 176.300 -0.220 0.000 1.111 241 M CA -0.731 54.428 55.300 -0.236 0.000 1.017 241 M CB 0.589 32.989 32.600 -0.333 0.000 1.568 241 M HN 0.473 nan 8.290 nan 0.000 0.445 242 R N 5.968 126.230 120.500 -0.396 0.000 2.265 242 R HA 0.609 4.941 4.340 -0.014 0.000 0.328 242 R C -1.939 174.079 176.300 -0.471 0.000 0.969 242 R CA -0.421 55.392 56.100 -0.477 0.000 0.832 242 R CB 0.819 30.653 30.300 -0.777 0.000 1.139 242 R HN 0.813 nan 8.270 nan 0.000 0.457 243 L N 5.149 126.202 121.223 -0.283 0.000 2.322 243 L HA 0.498 4.829 4.340 -0.014 0.000 0.281 243 L C -0.826 176.000 176.870 -0.072 0.000 1.014 243 L CA -0.912 53.856 54.840 -0.120 0.000 0.815 243 L CB 1.471 43.552 42.059 0.036 0.000 1.247 243 L HN 0.589 nan 8.230 nan 0.000 0.421 244 W N 1.891 123.313 121.300 0.203 0.000 2.315 244 W HA 0.480 5.132 4.660 -0.014 0.000 0.316 244 W C 0.550 177.297 176.519 0.379 0.000 1.211 244 W CA -0.188 57.297 57.345 0.233 0.000 1.201 244 W CB 1.445 30.889 29.460 -0.028 0.000 1.184 244 W HN 0.337 nan 8.180 nan 0.000 0.544 245 S N 1.718 117.833 115.700 0.691 0.000 2.482 245 S HA 0.765 5.226 4.470 -0.014 0.000 0.303 245 S C -0.464 174.482 174.600 0.577 0.000 1.091 245 S CA -0.725 57.788 58.200 0.522 0.000 1.057 245 S CB 0.660 64.109 63.200 0.416 0.000 1.031 245 S HN 0.517 nan 8.310 nan 0.000 0.485 246 A N 4.822 127.810 122.820 0.280 0.000 2.362 246 A HA 0.634 4.945 4.320 -0.014 0.000 0.276 246 A C -0.162 177.472 177.584 0.084 0.000 1.153 246 A CA -0.265 51.816 52.037 0.072 0.000 0.813 246 A CB 0.320 19.085 19.000 -0.391 0.000 1.081 246 A HN 0.652 nan 8.150 nan 0.000 0.507 247 K N 1.328 121.793 120.400 0.109 0.000 2.427 247 K HA 0.588 4.900 4.320 -0.014 0.000 0.252 247 K C -0.410 176.176 176.600 -0.025 0.000 0.931 247 K CA -0.428 55.885 56.287 0.044 0.000 0.793 247 K CB 2.255 34.813 32.500 0.096 0.000 1.211 247 K HN 0.830 nan 8.250 nan 0.000 0.426 248 A N 4.364 127.103 122.820 -0.135 0.000 2.425 248 A HA 0.410 4.722 4.320 -0.014 0.000 0.249 248 A C -2.067 175.489 177.584 -0.047 0.000 1.084 248 A CA -0.935 50.959 52.037 -0.240 0.000 0.781 248 A CB -0.354 18.299 19.000 -0.578 0.000 1.019 248 A HN 0.350 nan 8.150 nan 0.000 0.490 249 P HA 0.108 nan 4.420 nan 0.000 0.272 249 P C 0.062 177.441 177.300 0.131 0.000 1.230 249 P CA -0.416 62.744 63.100 0.100 0.000 0.788 249 P CB 0.572 32.348 31.700 0.128 0.000 0.949 250 N N 0.887 119.647 118.700 0.101 0.000 2.396 250 N HA -0.111 4.620 4.740 -0.014 0.000 0.180 250 N C 0.712 176.295 175.510 0.121 0.000 1.028 250 N CA 1.046 54.156 53.050 0.100 0.000 0.893 250 N CB -0.425 38.106 38.487 0.073 0.000 0.967 250 N HN 0.555 nan 8.380 nan 0.000 0.440 251 D N -0.786 119.688 120.400 0.123 0.000 2.325 251 D HA -0.061 4.571 4.640 -0.014 0.000 0.225 251 D C 0.066 176.436 176.300 0.118 0.000 1.096 251 D CA -0.600 53.463 54.000 0.104 0.000 0.844 251 D CB -1.063 39.779 40.800 0.070 0.000 0.925 251 D HN 0.042 nan 8.370 nan 0.000 0.513 252 F N 2.359 122.322 119.950 0.021 0.000 2.590 252 F HA 0.039 4.558 4.527 -0.014 0.000 0.389 252 F C 0.981 176.785 175.800 0.005 0.000 1.049 252 F CA 0.514 58.523 58.000 0.014 0.000 1.199 252 F CB -0.305 38.703 39.000 0.013 0.000 1.058 252 F HN 0.066 nan 8.300 nan 0.000 0.556 253 N N 2.540 120.882 118.700 -0.598 0.000 2.732 253 N HA -0.286 4.445 4.740 -0.014 0.000 0.250 253 N C -0.567 174.855 175.510 -0.146 0.000 1.097 253 N CA 0.593 53.394 53.050 -0.414 0.000 0.812 253 N CB -0.951 37.279 38.487 -0.429 0.000 1.148 253 N HN 0.432 nan 8.380 nan 0.000 0.572 262 Y N 1.005 121.309 120.300 0.007 0.000 2.097 262 Y HA -0.058 4.484 4.550 -0.014 0.000 0.282 262 Y C 2.709 178.622 175.900 0.021 0.000 1.152 262 Y CA 2.345 60.453 58.100 0.013 0.000 1.136 262 Y CB -0.094 38.373 38.460 0.012 0.000 0.975 262 Y HN 0.223 nan 8.280 nan 0.000 0.498 263 I N 0.472 120.988 120.570 -0.090 0.000 2.127 263 I HA -0.309 3.853 4.170 -0.014 0.000 0.241 263 I C 2.390 178.414 176.117 -0.155 0.000 1.075 263 I CA 1.817 63.013 61.300 -0.174 0.000 1.334 263 I CB -1.437 36.564 38.000 0.002 0.000 1.040 263 I HN 0.334 nan 8.210 nan 0.000 0.405 264 Q N 1.057 120.814 119.800 -0.072 0.000 2.096 264 Q HA -0.130 4.202 4.340 -0.014 0.000 0.204 264 Q C 2.249 178.221 176.000 -0.047 0.000 0.982 264 Q CA 2.303 58.080 55.803 -0.043 0.000 0.850 264 Q CB -0.397 28.331 28.738 -0.017 0.000 0.901 264 Q HN 0.484 nan 8.270 nan 0.000 0.422 265 A N -0.790 121.986 122.820 -0.074 0.000 1.908 265 A HA -0.157 4.155 4.320 -0.014 0.000 0.218 265 A C 2.258 179.831 177.584 -0.018 0.000 1.181 265 A CA 1.753 53.760 52.037 -0.050 0.000 0.627 265 A CB -0.820 18.143 19.000 -0.061 0.000 0.818 265 A HN 0.271 nan 8.150 nan 0.000 0.445 266 V N 0.110 119.929 119.914 -0.158 0.000 2.358 266 V HA -0.226 3.886 4.120 -0.014 0.000 0.246 266 V C 2.503 178.571 176.094 -0.043 0.000 1.047 266 V CA 1.828 64.049 62.300 -0.132 0.000 1.035 266 V CB -0.741 30.901 31.823 -0.301 0.000 0.658 266 V HN 0.570 nan 8.190 nan 0.000 0.452 267 L N -0.224 120.970 121.223 -0.048 0.000 2.201 267 L HA -0.134 4.198 4.340 -0.014 0.000 0.212 267 L C 1.997 178.885 176.870 0.030 0.000 1.105 267 L CA 1.164 55.997 54.840 -0.013 0.000 0.775 267 L CB -0.649 41.400 42.059 -0.017 0.000 0.913 267 L HN 0.325 nan 8.230 nan 0.000 0.440 268 D N 0.038 120.486 120.400 0.082 0.000 2.371 268 D HA -0.072 4.560 4.640 -0.014 0.000 0.221 268 D C 2.128 178.581 176.300 0.254 0.000 0.986 268 D CA 0.446 54.549 54.000 0.172 0.000 0.899 268 D CB 0.006 40.922 40.800 0.193 0.000 0.902 268 D HN 0.209 nan 8.370 nan 0.000 0.530 269 R N 0.297 120.865 120.500 0.113 0.000 2.159 269 R HA -0.084 4.247 4.340 -0.014 0.000 0.237 269 R C 1.694 177.845 176.300 -0.248 0.000 1.131 269 R CA 0.951 56.908 56.100 -0.237 0.000 0.982 269 R CB -0.283 29.925 30.300 -0.153 0.000 0.868 269 R HN 0.362 nan 8.270 nan 0.000 0.453 270 N N 0.347 118.996 118.700 -0.085 0.000 2.137 270 N HA -0.199 4.533 4.740 -0.014 0.000 0.190 270 N C 1.302 176.774 175.510 -0.062 0.000 1.017 270 N CA 0.843 53.859 53.050 -0.057 0.000 0.859 270 N CB -0.141 38.340 38.487 -0.010 0.000 1.002 270 N HN 0.008 nan 8.380 nan 0.000 0.428 271 L N 1.234 122.440 121.223 -0.029 0.000 2.013 271 L HA -0.219 4.113 4.340 -0.014 0.000 0.212 271 L C 2.477 179.308 176.870 -0.065 0.000 1.073 271 L CA 1.683 56.525 54.840 0.004 0.000 0.753 271 L CB -1.098 41.032 42.059 0.119 0.000 0.890 271 L HN 0.190 nan 8.230 nan 0.000 0.432 272 A N -1.016 121.686 122.820 -0.196 0.000 1.898 272 A HA -0.182 4.130 4.320 -0.014 0.000 0.216 272 A C 2.160 179.624 177.584 -0.200 0.000 1.181 272 A CA 1.551 53.447 52.037 -0.235 0.000 0.620 272 A CB -0.475 18.239 19.000 -0.476 0.000 0.819 272 A HN 0.542 nan 8.150 nan 0.000 0.442 273 E N -0.036 120.055 120.200 -0.182 0.000 2.427 273 E HA -0.076 4.266 4.350 -0.014 0.000 0.196 273 E C 1.111 177.667 176.600 -0.073 0.000 1.028 273 E CA 0.238 56.565 56.400 -0.120 0.000 0.864 273 E CB -0.139 29.509 29.700 -0.086 0.000 0.813 273 E HN 0.460 nan 8.360 nan 0.000 0.514 274 N N 1.126 119.790 118.700 -0.059 0.000 2.348 274 N HA -0.122 4.609 4.740 -0.014 0.000 0.185 274 N C 1.620 177.123 175.510 -0.011 0.000 1.019 274 N CA 0.693 53.737 53.050 -0.009 0.000 0.880 274 N CB -0.086 38.399 38.487 -0.002 0.000 0.965 274 N HN 0.261 nan 8.380 nan 0.000 0.437 275 I N 0.405 120.911 120.570 -0.108 0.000 2.151 275 I HA -0.274 3.888 4.170 -0.014 0.000 0.243 275 I C 1.471 177.554 176.117 -0.057 0.000 1.080 275 I CA 1.389 62.595 61.300 -0.157 0.000 1.339 275 I CB -0.260 37.476 38.000 -0.440 0.000 1.039 275 I HN 0.144 nan 8.210 nan 0.000 0.409 276 S N -0.431 115.227 115.700 -0.069 0.000 2.583 276 S HA 0.180 4.642 4.470 -0.014 0.000 0.239 276 S C 1.462 176.193 174.600 0.218 0.000 0.966 276 S CA -0.499 57.748 58.200 0.079 0.000 0.973 276 S CB 0.238 63.475 63.200 0.063 0.000 0.794 276 S HN 0.226 nan 8.310 nan 0.000 0.463 277 R N 1.183 121.818 120.500 0.225 0.000 2.075 277 R HA 0.298 4.630 4.340 -0.014 0.000 0.226 277 R C 0.329 176.888 176.300 0.431 0.000 1.114 277 R CA 0.998 57.274 56.100 0.293 0.000 0.972 277 R CB -0.161 30.273 30.300 0.224 0.000 0.869 277 R HN 0.384 nan 8.270 nan 0.000 0.437 278 V N 0.551 120.681 119.914 0.359 0.000 2.851 278 V HA 0.351 4.462 4.120 -0.014 0.000 0.307 278 V C -1.558 174.534 176.094 -0.004 0.000 1.129 278 V CA -1.378 61.058 62.300 0.226 0.000 0.932 278 V CB 1.764 33.637 31.823 0.083 0.000 1.024 278 V HN 0.156 nan 8.190 nan 0.000 0.426 279 L N 7.033 128.015 121.223 -0.403 0.000 2.410 279 L HA 0.436 4.768 4.340 -0.014 0.000 0.273 279 L C -0.775 175.942 176.870 -0.255 0.000 1.144 279 L CA 0.487 54.880 54.840 -0.745 0.000 0.863 279 L CB 0.349 41.883 42.059 -0.876 0.000 1.140 279 L HN 0.678 nan 8.230 nan 0.000 0.463 280 Y N 7.018 127.237 120.300 -0.134 0.000 2.650 280 Y HA 0.166 4.707 4.550 -0.014 0.000 0.331 280 Y C -1.380 174.515 175.900 -0.008 0.000 1.165 280 Y CA -1.127 56.963 58.100 -0.017 0.000 1.473 280 Y CB 0.271 38.746 38.460 0.024 0.000 1.224 280 Y HN 0.569 nan 8.280 nan 0.000 0.533 281 P HA 0.044 nan 4.420 nan 0.000 0.244 281 P C -0.912 176.522 177.300 0.225 0.000 1.632 281 P CA 0.057 63.265 63.100 0.180 0.000 0.944 281 P CB 0.109 32.008 31.700 0.330 0.000 1.569 282 N N 1.277 120.118 118.700 0.236 0.000 2.426 282 N HA 0.170 4.902 4.740 -0.014 0.000 0.275 282 N C -0.692 174.971 175.510 0.255 0.000 1.019 282 N CA 0.042 53.257 53.050 0.275 0.000 0.941 282 N CB 1.241 39.942 38.487 0.356 0.000 1.123 282 N HN 0.075 nan 8.380 nan 0.000 0.486 283 D N 0.996 121.574 120.400 0.297 0.000 2.303 283 D HA 0.205 4.836 4.640 -0.014 0.000 0.236 283 D C -0.269 176.320 176.300 0.482 0.000 1.068 283 D CA -0.333 53.875 54.000 0.347 0.000 0.830 283 D CB 0.237 41.257 40.800 0.367 0.000 1.109 283 D HN 0.341 nan 8.370 nan 0.000 0.496 284 N N 3.067 121.981 118.700 0.358 0.000 2.725 284 N HA -0.251 4.480 4.740 -0.014 0.000 0.251 284 N C -1.325 174.429 175.510 0.406 0.000 1.031 284 N CA 0.612 53.847 53.050 0.308 0.000 0.720 284 N CB -0.806 37.796 38.487 0.191 0.000 0.930 284 N HN 0.360 nan 8.380 nan 0.000 0.543 285 F N 0.746 120.808 119.950 0.186 0.000 2.605 285 F HA 0.424 4.943 4.527 -0.014 0.000 0.320 285 F C -1.326 174.554 175.800 0.134 0.000 1.159 285 F CA -1.151 56.929 58.000 0.135 0.000 0.999 285 F CB 0.934 39.982 39.000 0.081 0.000 1.258 285 F HN -0.003 nan 8.300 nan 0.000 0.464 286 F N 6.086 125.600 119.950 -0.728 0.000 2.411 286 F HA 0.471 4.989 4.527 -0.014 0.000 0.355 286 F C -0.417 174.838 175.800 -0.909 0.000 1.117 286 F CA -0.119 57.486 58.000 -0.658 0.000 1.139 286 F CB 0.688 39.378 39.000 -0.516 0.000 1.120 286 F HN 0.602 nan 8.300 nan 0.000 0.493 287 E N 4.126 123.637 120.200 -1.148 0.000 2.155 287 E HA 0.321 4.662 4.350 -0.014 0.000 0.264 287 E C -0.103 175.731 176.600 -1.278 0.000 0.886 287 E CA -0.775 55.048 56.400 -0.962 0.000 0.752 287 E CB 1.420 30.936 29.700 -0.307 0.000 1.133 287 E HN 0.915 nan 8.360 nan 0.000 0.414 288 G N 5.196 113.225 108.800 -1.285 0.000 3.541 288 G HA2 0.041 3.993 3.960 -0.014 0.000 0.253 288 G HA3 0.041 3.993 3.960 -0.014 0.000 0.253 288 G C -0.067 174.758 174.900 -0.125 0.000 1.017 288 G CA -0.232 44.302 45.100 -0.943 0.000 1.832 288 G HN 0.192 nan 8.290 nan 0.000 0.649 289 K N 0.438 120.821 120.400 -0.028 0.000 2.130 289 K HA 0.185 4.496 4.320 -0.014 0.000 0.268 289 K C 0.974 177.714 176.600 0.233 0.000 0.983 289 K CA -0.635 55.727 56.287 0.125 0.000 0.893 289 K CB 2.235 34.805 32.500 0.117 0.000 1.066 289 K HN 0.420 nan 8.250 nan 0.000 0.450 290 E N 1.818 122.120 120.200 0.171 0.000 2.085 290 E HA -0.217 4.124 4.350 -0.014 0.000 0.194 290 E C 1.524 178.154 176.600 0.049 0.000 0.994 290 E CA 1.044 57.496 56.400 0.086 0.000 0.801 290 E CB 0.153 29.906 29.700 0.088 0.000 0.743 290 E HN 0.411 nan 8.360 nan 0.000 0.453 291 L N 1.379 122.676 121.223 0.123 0.000 2.042 291 L HA -0.190 4.141 4.340 -0.014 0.000 0.210 291 L C 2.494 179.469 176.870 0.175 0.000 1.076 291 L CA 1.897 56.829 54.840 0.153 0.000 0.749 291 L CB -0.547 41.664 42.059 0.254 0.000 0.893 291 L HN 0.026 nan 8.230 nan 0.000 0.432 292 R N -0.619 119.947 120.500 0.110 0.000 2.081 292 R HA -0.172 4.159 4.340 -0.014 0.000 0.235 292 R C 2.118 178.470 176.300 0.087 0.000 1.131 292 R CA 1.912 58.003 56.100 -0.015 0.000 0.960 292 R CB -1.027 29.044 30.300 -0.381 0.000 0.856 292 R HN 0.416 nan 8.270 nan 0.000 0.436 293 L N 0.891 122.070 121.223 -0.073 0.000 2.046 293 L HA -0.080 4.252 4.340 -0.014 0.000 0.208 293 L C 1.721 178.538 176.870 -0.088 0.000 1.077 293 L CA 1.909 56.503 54.840 -0.410 0.000 0.747 293 L CB -0.422 41.082 42.059 -0.925 0.000 0.896 293 L HN 0.162 nan 8.230 nan 0.000 0.432 294 K N -1.009 119.385 120.400 -0.010 0.000 2.057 294 K HA -0.200 4.111 4.320 -0.014 0.000 0.207 294 K C 2.090 178.860 176.600 0.284 0.000 1.049 294 K CA 1.783 58.135 56.287 0.109 0.000 0.931 294 K CB -0.185 32.197 32.500 -0.197 0.000 0.714 294 K HN 0.513 nan 8.250 nan 0.000 0.440 295 Q N 0.626 120.559 119.800 0.222 0.000 2.050 295 Q HA -0.188 4.144 4.340 -0.014 0.000 0.202 295 Q C 1.966 178.170 176.000 0.340 0.000 0.980 295 Q CA 1.441 57.432 55.803 0.312 0.000 0.840 295 Q CB -0.028 28.913 28.738 0.339 0.000 0.898 295 Q HN 0.386 nan 8.270 nan 0.000 0.424 296 E N -0.204 120.149 120.200 0.256 0.000 2.077 296 E HA -0.212 4.129 4.350 -0.014 0.000 0.193 296 E C 1.714 178.430 176.600 0.194 0.000 0.989 296 E CA 1.042 57.574 56.400 0.221 0.000 0.800 296 E CB -0.117 29.694 29.700 0.184 0.000 0.746 296 E HN 0.330 nan 8.360 nan 0.000 0.452 297 Y N 0.233 120.587 120.300 0.089 0.000 2.286 297 Y HA -0.172 4.369 4.550 -0.014 0.000 0.293 297 Y C 1.934 177.869 175.900 0.058 0.000 1.124 297 Y CA 0.879 58.984 58.100 0.008 0.000 1.178 297 Y CB -0.293 38.132 38.460 -0.058 0.000 1.010 297 Y HN 0.007 nan 8.280 nan 0.000 0.536 298 F N -0.256 119.690 119.950 -0.007 0.000 2.065 298 F HA -0.243 4.276 4.527 -0.014 0.000 0.298 298 F C 2.476 178.134 175.800 -0.238 0.000 1.112 298 F CA 2.018 59.968 58.000 -0.084 0.000 1.212 298 F CB -1.071 38.033 39.000 0.173 0.000 0.975 298 F HN -0.052 nan 8.300 nan 0.000 0.476 299 V N -0.450 119.407 119.914 -0.095 0.000 2.358 299 V HA -0.196 3.916 4.120 -0.014 0.000 0.246 299 V C 2.188 178.128 176.094 -0.256 0.000 1.047 299 V CA 1.983 64.198 62.300 -0.141 0.000 1.035 299 V CB -0.430 31.515 31.823 0.204 0.000 0.658 299 V HN 0.254 nan 8.190 nan 0.000 0.452 300 V N 0.508 120.282 119.914 -0.234 0.000 2.307 300 V HA -0.179 3.932 4.120 -0.014 0.000 0.245 300 V C 2.832 178.672 176.094 -0.423 0.000 1.045 300 V CA 2.198 64.348 62.300 -0.250 0.000 1.024 300 V CB -1.090 30.643 31.823 -0.150 0.000 0.651 300 V HN 0.656 nan 8.190 nan 0.000 0.449 301 A N -0.221 122.177 122.820 -0.704 0.000 1.873 301 A HA -0.072 4.240 4.320 -0.014 0.000 0.215 301 A C 2.399 179.621 177.584 -0.603 0.000 1.186 301 A CA 2.019 53.637 52.037 -0.697 0.000 0.616 301 A CB -0.809 17.557 19.000 -1.056 0.000 0.823 301 A HN 0.557 nan 8.150 nan 0.000 0.442 302 A N -1.043 121.260 122.820 -0.862 0.000 1.898 302 A HA -0.059 4.252 4.320 -0.014 0.000 0.216 302 A C 2.307 179.408 177.584 -0.805 0.000 1.181 302 A CA 2.263 53.616 52.037 -1.139 0.000 0.620 302 A CB -1.266 16.421 19.000 -2.188 0.000 0.819 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.461 114.676 114.554 -0.564 0.000 2.708 303 T HA -0.105 4.237 4.350 -0.014 0.000 0.266 303 T C 1.828 176.270 174.700 -0.430 0.000 1.037 303 T CA 1.488 63.377 62.100 -0.352 0.000 1.146 303 T CB -0.385 68.279 68.868 -0.340 0.000 0.865 303 T HN 0.342 nan 8.240 nan 0.000 0.435 304 L N 0.658 121.672 121.223 -0.348 0.000 2.083 304 L HA -0.152 4.179 4.340 -0.014 0.000 0.209 304 L C 2.931 179.688 176.870 -0.189 0.000 1.083 304 L CA 1.361 56.047 54.840 -0.258 0.000 0.752 304 L CB -0.496 41.451 42.059 -0.186 0.000 0.899 304 L HN 0.358 nan 8.230 nan 0.000 0.433 305 Q N -0.539 119.148 119.800 -0.190 0.000 2.084 305 Q HA -0.260 4.072 4.340 -0.014 0.000 0.202 305 Q C 1.788 177.752 176.000 -0.059 0.000 0.978 305 Q CA 1.836 57.575 55.803 -0.107 0.000 0.844 305 Q CB -0.107 28.555 28.738 -0.127 0.000 0.898 305 Q HN 0.403 nan 8.270 nan 0.000 0.426 306 D N 0.460 120.818 120.400 -0.070 0.000 2.117 306 D HA -0.109 4.522 4.640 -0.014 0.000 0.197 306 D C 1.681 177.924 176.300 -0.095 0.000 0.987 306 D CA 0.880 54.888 54.000 0.013 0.000 0.829 306 D CB -0.056 40.871 40.800 0.212 0.000 0.961 306 D HN 0.153 nan 8.370 nan 0.000 0.460 307 I N 0.151 120.550 120.570 -0.284 0.000 2.163 307 I HA -0.262 3.899 4.170 -0.014 0.000 0.243 307 I C 2.325 178.441 176.117 -0.002 0.000 1.085 307 I CA 0.843 61.912 61.300 -0.385 0.000 1.347 307 I CB -0.153 37.466 38.000 -0.635 0.000 1.044 307 I HN 0.064 nan 8.210 nan 0.000 0.408 308 I N 0.006 120.631 120.570 0.091 0.000 2.252 308 I HA -0.273 3.888 4.170 -0.014 0.000 0.245 308 I C 2.773 179.046 176.117 0.261 0.000 1.102 308 I CA 1.039 62.508 61.300 0.281 0.000 1.385 308 I CB -0.417 37.701 38.000 0.198 0.000 1.064 308 I HN 0.181 nan 8.210 nan 0.000 0.414 309 R N 1.194 121.774 120.500 0.134 0.000 2.096 309 R HA -0.245 4.086 4.340 -0.014 0.000 0.240 309 R C 2.487 178.848 176.300 0.102 0.000 1.139 309 R CA 1.909 58.069 56.100 0.101 0.000 0.952 309 R CB -0.276 30.057 30.300 0.056 0.000 0.854 309 R HN 0.230 nan 8.270 nan 0.000 0.436 310 R N -0.665 119.893 120.500 0.097 0.000 2.092 310 R HA -0.157 4.174 4.340 -0.014 0.000 0.231 310 R C 2.196 178.591 176.300 0.158 0.000 1.119 310 R CA 1.594 57.757 56.100 0.104 0.000 0.970 310 R CB -0.348 30.002 30.300 0.082 0.000 0.864 310 R HN 0.271 nan 8.270 nan 0.000 0.440 311 F N 1.493 121.484 119.950 0.069 0.000 2.113 311 F HA -0.124 4.395 4.527 -0.014 0.000 0.297 311 F C 1.714 177.548 175.800 0.056 0.000 1.103 311 F CA 1.578 59.622 58.000 0.073 0.000 1.248 311 F CB -0.001 39.099 39.000 0.165 0.000 0.999 311 F HN -0.142 nan 8.300 nan 0.000 0.475 312 K N -0.381 119.996 120.400 -0.039 0.000 2.148 312 K HA -0.030 4.282 4.320 -0.014 0.000 0.204 312 K C 1.329 177.854 176.600 -0.125 0.000 1.050 312 K CA 1.294 57.484 56.287 -0.161 0.000 0.942 312 K CB -0.263 32.248 32.500 0.018 0.000 0.724 312 K HN 0.106 nan 8.250 nan 0.000 0.446 313 S N 1.478 117.161 115.700 -0.028 0.000 2.582 313 S HA 0.057 4.519 4.470 -0.014 0.000 0.249 313 S C -0.044 174.597 174.600 0.068 0.000 1.072 313 S CA -0.492 57.727 58.200 0.032 0.000 1.115 313 S CB 0.085 63.329 63.200 0.074 0.000 0.790 313 S HN 0.255 nan 8.310 nan 0.000 0.459 314 S N 0.470 116.138 115.700 -0.054 0.000 2.722 314 S HA 0.477 4.938 4.470 -0.014 0.000 0.292 314 S C 0.761 175.273 174.600 -0.146 0.000 1.135 314 S CA -0.912 57.238 58.200 -0.084 0.000 1.003 314 S CB 1.460 64.600 63.200 -0.100 0.000 1.067 314 S HN 0.239 nan 8.310 nan 0.000 0.546 315 K N -0.525 119.739 120.400 -0.226 0.000 2.283 315 K HA -0.009 4.302 4.320 -0.014 0.000 0.202 315 K C 1.472 178.017 176.600 -0.093 0.000 1.048 315 K CA 0.784 56.944 56.287 -0.211 0.000 0.948 315 K CB -0.269 32.065 32.500 -0.278 0.000 0.742 315 K HN 0.654 nan 8.250 nan 0.000 0.458 316 F N 0.367 120.202 119.950 -0.192 0.000 2.025 316 F HA 0.118 4.636 4.527 -0.014 0.000 0.291 316 F C 1.175 176.867 175.800 -0.179 0.000 1.150 316 F CA 1.514 59.418 58.000 -0.161 0.000 1.166 316 F CB -0.577 38.336 39.000 -0.145 0.000 0.995 316 F HN -0.048 nan 8.300 nan 0.000 0.474 325 N N 0.743 119.434 118.700 -0.014 0.000 2.500 325 N HA 0.315 5.047 4.740 -0.014 0.000 0.236 325 N C -0.632 174.971 175.510 0.156 0.000 1.022 325 N CA -0.128 52.989 53.050 0.111 0.000 0.935 325 N CB 0.304 38.868 38.487 0.129 0.000 1.147 325 N HN 0.148 nan 8.380 nan 0.000 0.512 326 F N 1.332 121.418 119.950 0.226 0.000 2.797 326 F HA 0.107 4.626 4.527 -0.014 0.000 0.302 326 F C 1.820 177.698 175.800 0.131 0.000 1.130 326 F CA -0.101 57.992 58.000 0.156 0.000 1.387 326 F CB 0.313 39.282 39.000 -0.052 0.000 1.107 326 F HN 0.465 nan 8.300 nan 0.000 0.577 327 D N 0.459 121.021 120.400 0.270 0.000 2.178 327 D HA -0.151 4.481 4.640 -0.014 0.000 0.201 327 D C 2.160 178.562 176.300 0.170 0.000 0.980 327 D CA 1.363 55.475 54.000 0.187 0.000 0.842 327 D CB 0.008 40.901 40.800 0.155 0.000 0.948 327 D HN 0.319 nan 8.370 nan 0.000 0.472 328 A N -0.100 122.855 122.820 0.225 0.000 2.251 328 A HA 0.054 4.365 4.320 -0.014 0.000 0.209 328 A C 1.654 179.296 177.584 0.097 0.000 1.187 328 A CA -0.304 51.815 52.037 0.136 0.000 0.823 328 A CB -0.629 18.452 19.000 0.134 0.000 0.846 328 A HN 0.124 nan 8.150 nan 0.000 0.486 329 F N 1.985 121.877 119.950 -0.096 0.000 2.065 329 F HA -0.151 4.367 4.527 -0.014 0.000 0.298 329 F C -0.790 174.868 175.800 -0.238 0.000 1.112 329 F CA 2.590 60.324 58.000 -0.443 0.000 1.212 329 F CB -0.553 38.187 39.000 -0.433 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.086 nan 4.420 nan 0.000 0.230 330 P C 0.655 177.862 177.300 -0.155 0.000 1.158 330 P CA 1.348 64.374 63.100 -0.124 0.000 0.769 330 P CB -0.077 31.591 31.700 -0.053 0.000 0.807 331 D N -0.735 119.576 120.400 -0.147 0.000 2.289 331 D HA -0.029 4.603 4.640 -0.014 0.000 0.207 331 D C 1.515 177.702 176.300 -0.188 0.000 0.966 331 D CA 0.913 54.821 54.000 -0.155 0.000 0.868 331 D CB 0.123 40.821 40.800 -0.170 0.000 0.943 331 D HN 0.149 nan 8.370 nan 0.000 0.514 332 K N 0.004 120.270 120.400 -0.224 0.000 2.380 332 K HA 0.209 4.521 4.320 -0.014 0.000 0.198 332 K C -0.102 176.364 176.600 -0.222 0.000 1.070 332 K CA 0.082 56.258 56.287 -0.186 0.000 1.040 332 K CB 2.390 34.859 32.500 -0.053 0.000 0.903 332 K HN -0.065 nan 8.250 nan 0.000 0.549 333 V N 1.049 120.750 119.914 -0.354 0.000 2.686 333 V HA 0.595 4.706 4.120 -0.014 0.000 0.306 333 V C -1.058 174.913 176.094 -0.205 0.000 1.065 333 V CA -1.258 60.842 62.300 -0.333 0.000 0.894 333 V CB 1.810 33.140 31.823 -0.821 0.000 1.004 333 V HN 0.114 nan 8.190 nan 0.000 0.424 334 A N 5.622 128.377 122.820 -0.108 0.000 2.343 334 A HA 0.935 5.247 4.320 -0.014 0.000 0.316 334 A C -0.959 176.632 177.584 0.011 0.000 1.104 334 A CA -0.505 51.504 52.037 -0.046 0.000 0.768 334 A CB 1.030 19.957 19.000 -0.122 0.000 1.213 334 A HN 0.775 nan 8.150 nan 0.000 0.456 335 I N 1.809 122.434 120.570 0.091 0.000 2.382 335 I HA 0.289 4.451 4.170 -0.014 0.000 0.286 335 I C -0.299 175.905 176.117 0.146 0.000 1.002 335 I CA -0.528 60.843 61.300 0.119 0.000 1.135 335 I CB 1.903 39.959 38.000 0.092 0.000 1.288 335 I HN 0.685 nan 8.210 nan 0.000 0.448 336 Q N 6.808 126.692 119.800 0.140 0.000 2.303 336 Q HA 0.495 4.826 4.340 -0.014 0.000 0.257 336 Q C -1.288 174.710 176.000 -0.003 0.000 0.941 336 Q CA -0.223 55.695 55.803 0.191 0.000 0.931 336 Q CB 1.231 30.203 28.738 0.389 0.000 1.215 336 Q HN 0.569 nan 8.270 nan 0.000 0.437 337 L N 3.845 125.109 121.223 0.067 0.000 2.261 337 L HA 0.386 4.718 4.340 -0.014 0.000 0.289 337 L C 0.054 176.948 176.870 0.041 0.000 1.059 337 L CA -0.729 54.140 54.840 0.047 0.000 0.816 337 L CB 0.627 42.764 42.059 0.129 0.000 1.191 337 L HN 0.563 nan 8.230 nan 0.000 0.431 338 N N 4.443 123.083 118.700 -0.099 0.000 2.508 338 N HA 0.055 4.787 4.740 -0.014 0.000 0.253 338 N C -0.130 175.394 175.510 0.024 0.000 1.145 338 N CA 0.523 53.563 53.050 -0.017 0.000 0.973 338 N CB -0.076 38.322 38.487 -0.148 0.000 1.305 338 N HN 0.619 nan 8.380 nan 0.000 0.506 339 D N -0.100 120.407 120.400 0.179 0.000 4.199 339 D HA -0.224 4.407 4.640 -0.014 0.000 0.291 339 D C 0.325 176.721 176.300 0.160 0.000 2.213 339 D CA 1.546 55.629 54.000 0.139 0.000 1.174 339 D CB -0.536 40.074 40.800 -0.317 0.000 1.012 339 D HN 0.506 nan 8.370 nan 0.000 1.213 340 T N -2.511 112.078 114.554 0.058 0.000 3.129 340 T HA 0.096 4.437 4.350 -0.014 0.000 0.251 340 T C 1.639 176.415 174.700 0.127 0.000 1.117 340 T CA 1.473 63.591 62.100 0.030 0.000 1.034 340 T CB -0.496 68.358 68.868 -0.024 0.000 0.968 340 T HN 0.506 nan 8.240 nan 0.000 0.526 341 H N 2.693 121.851 119.070 0.147 0.000 2.353 341 H HA -0.017 4.531 4.556 -0.014 0.000 0.298 341 H C -0.891 174.527 175.328 0.150 0.000 1.103 341 H CA 1.066 57.215 56.048 0.169 0.000 1.293 341 H CB -0.997 28.866 29.762 0.168 0.000 1.372 341 H HN 0.439 nan 8.280 nan 0.000 0.501 342 P HA 0.078 nan 4.420 nan 0.000 0.254 342 P C 0.738 178.084 177.300 0.078 0.000 1.620 342 P CA 0.328 63.510 63.100 0.136 0.000 1.050 342 P CB 0.286 32.054 31.700 0.112 0.000 1.539 343 S N -0.227 115.513 115.700 0.067 0.000 2.440 343 S HA -0.144 4.317 4.470 -0.014 0.000 0.238 343 S C 1.721 176.327 174.600 0.009 0.000 1.010 343 S CA 0.859 59.059 58.200 -0.001 0.000 0.972 343 S CB -1.492 61.683 63.200 -0.042 0.000 0.774 343 S HN 0.165 nan 8.310 nan 0.000 0.501 344 L N 1.005 122.248 121.223 0.035 0.000 2.456 344 L HA 0.026 4.358 4.340 -0.014 0.000 0.224 344 L C 2.937 179.842 176.870 0.059 0.000 1.148 344 L CA 0.584 55.446 54.840 0.037 0.000 0.825 344 L CB -0.787 41.295 42.059 0.038 0.000 0.937 344 L HN 0.470 nan 8.230 nan 0.000 0.450 345 A N 0.725 123.561 122.820 0.028 0.000 1.948 345 A HA -0.222 4.090 4.320 -0.014 0.000 0.220 345 A C 2.169 179.755 177.584 0.003 0.000 1.177 345 A CA 1.653 53.693 52.037 0.004 0.000 0.636 345 A CB -0.498 18.498 19.000 -0.007 0.000 0.815 345 A HN 0.378 nan 8.150 nan 0.000 0.449 346 I N 0.250 120.822 120.570 0.005 0.000 2.090 346 I HA -0.152 4.010 4.170 -0.014 0.000 0.236 346 I C -0.348 175.788 176.117 0.033 0.000 1.064 346 I CA 1.645 62.947 61.300 0.002 0.000 1.324 346 I CB -1.056 36.946 38.000 0.003 0.000 1.044 346 I HN 0.250 nan 8.210 nan 0.000 0.399 347 P HA -0.156 nan 4.420 nan 0.000 0.223 347 P C 1.267 178.602 177.300 0.058 0.000 1.151 347 P CA 1.430 64.569 63.100 0.064 0.000 0.787 347 P CB 0.045 31.802 31.700 0.095 0.000 0.788 348 E N 0.272 120.569 120.200 0.162 0.000 2.072 348 E HA -0.150 4.192 4.350 -0.014 0.000 0.191 348 E C 1.919 178.512 176.600 -0.010 0.000 0.985 348 E CA 0.674 57.181 56.400 0.179 0.000 0.801 348 E CB -1.197 28.657 29.700 0.257 0.000 0.750 348 E HN -0.017 nan 8.360 nan 0.000 0.452 349 L N 0.027 121.214 121.223 -0.061 0.000 2.017 349 L HA -0.126 4.206 4.340 -0.014 0.000 0.208 349 L C 2.103 178.842 176.870 -0.219 0.000 1.073 349 L CA 1.800 56.547 54.840 -0.155 0.000 0.745 349 L CB -0.632 41.338 42.059 -0.148 0.000 0.894 349 L HN 0.245 nan 8.230 nan 0.000 0.432 350 M N -0.804 118.680 119.600 -0.195 0.000 2.080 350 M HA -0.244 4.228 4.480 -0.014 0.000 0.260 350 M C 2.430 178.572 176.300 -0.263 0.000 1.068 350 M CA 1.630 56.761 55.300 -0.282 0.000 1.109 350 M CB -1.295 31.116 32.600 -0.315 0.000 1.342 350 M HN 0.329 nan 8.290 nan 0.000 0.405 351 R N 0.031 120.402 120.500 -0.215 0.000 2.080 351 R HA -0.147 4.185 4.340 -0.014 0.000 0.236 351 R C 2.092 178.290 176.300 -0.170 0.000 1.137 351 R CA 1.850 57.823 56.100 -0.212 0.000 0.943 351 R CB -0.237 29.882 30.300 -0.301 0.000 0.846 351 R HN 0.225 nan 8.270 nan 0.000 0.431 352 V N 1.437 121.251 119.914 -0.167 0.000 2.295 352 V HA -0.259 3.853 4.120 -0.014 0.000 0.246 352 V C 2.416 178.352 176.094 -0.263 0.000 1.049 352 V CA 1.770 63.965 62.300 -0.176 0.000 1.024 352 V CB -0.417 31.302 31.823 -0.172 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.665 120.342 121.223 -0.360 0.000 2.056 353 L HA -0.119 4.213 4.340 -0.014 0.000 0.207 353 L C 2.401 179.090 176.870 -0.301 0.000 1.078 353 L CA 1.087 55.648 54.840 -0.466 0.000 0.749 353 L CB -0.614 41.128 42.059 -0.530 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.448 119.333 119.914 -0.221 0.000 2.300 354 V HA -0.187 3.924 4.120 -0.014 0.000 0.241 354 V C 1.979 178.031 176.094 -0.069 0.000 1.034 354 V CA 1.724 63.956 62.300 -0.114 0.000 1.021 354 V CB -0.357 31.431 31.823 -0.057 0.000 0.662 354 V HN 0.346 nan 8.190 nan 0.000 0.458 355 D N -0.046 120.308 120.400 -0.077 0.000 2.149 355 D HA -0.013 4.618 4.640 -0.014 0.000 0.201 355 D C 1.995 178.267 176.300 -0.046 0.000 0.972 355 D CA 1.194 55.165 54.000 -0.048 0.000 0.835 355 D CB 0.061 40.829 40.800 -0.052 0.000 0.966 355 D HN 0.342 nan 8.370 nan 0.000 0.476 356 L N 0.049 121.229 121.223 -0.072 0.000 2.362 356 L HA 0.143 4.474 4.340 -0.014 0.000 0.204 356 L C 1.841 178.679 176.870 -0.052 0.000 1.060 356 L CA 0.415 55.224 54.840 -0.052 0.000 0.827 356 L CB 0.072 42.101 42.059 -0.049 0.000 1.027 356 L HN -0.201 nan 8.230 nan 0.000 0.474 357 E N 0.383 120.516 120.200 -0.112 0.000 2.447 357 E HA 0.040 4.382 4.350 -0.014 0.000 0.195 357 E C 0.167 176.729 176.600 -0.064 0.000 1.028 357 E CA -0.028 56.311 56.400 -0.101 0.000 0.876 357 E CB 0.365 29.882 29.700 -0.305 0.000 0.885 357 E HN 0.197 nan 8.360 nan 0.000 0.500 358 R N -0.363 120.096 120.500 -0.069 0.000 3.774 358 R HA -0.178 4.154 4.340 -0.014 0.000 0.320 358 R C -0.299 175.987 176.300 -0.023 0.000 1.175 358 R CA 0.228 56.312 56.100 -0.027 0.000 0.849 358 R CB -2.793 27.510 30.300 0.004 0.000 1.365 358 R HN 0.094 nan 8.270 nan 0.000 0.502 359 L N 2.490 123.670 121.223 -0.073 0.000 2.452 359 L HA 0.098 4.430 4.340 -0.014 0.000 0.267 359 L C 1.510 178.373 176.870 -0.011 0.000 1.188 359 L CA 0.446 55.255 54.840 -0.052 0.000 0.821 359 L CB 0.330 42.310 42.059 -0.132 0.000 1.102 359 L HN 0.127 nan 8.230 nan 0.000 0.470 360 D N 1.191 121.610 120.400 0.032 0.000 2.357 360 D HA -0.138 4.493 4.640 -0.014 0.000 0.242 360 D C 0.934 177.305 176.300 0.118 0.000 1.153 360 D CA -0.533 53.520 54.000 0.088 0.000 0.918 360 D CB 0.698 41.556 40.800 0.096 0.000 1.181 360 D HN 0.615 nan 8.370 nan 0.000 0.435 361 W N 1.813 123.116 121.300 0.006 0.000 2.317 361 W HA -0.238 4.413 4.660 -0.014 0.000 0.318 361 W C 1.083 177.648 176.519 0.076 0.000 1.227 361 W CA 1.978 59.333 57.345 0.017 0.000 1.269 361 W CB -0.312 29.137 29.460 -0.018 0.000 1.155 361 W HN 0.457 nan 8.180 nan 0.000 0.484 362 D N 0.277 120.877 120.400 0.334 0.000 2.123 362 D HA -0.210 4.421 4.640 -0.014 0.000 0.196 362 D C 1.881 178.285 176.300 0.175 0.000 0.992 362 D CA 2.024 56.192 54.000 0.280 0.000 0.833 362 D CB -0.454 40.479 40.800 0.222 0.000 0.954 362 D HN 0.079 nan 8.370 nan 0.000 0.455 363 K N 1.101 121.562 120.400 0.102 0.000 2.025 363 K HA 0.025 4.337 4.320 -0.014 0.000 0.207 363 K C 1.862 178.456 176.600 -0.010 0.000 1.049 363 K CA 1.449 57.768 56.287 0.053 0.000 0.933 363 K CB -0.609 31.919 32.500 0.046 0.000 0.714 363 K HN -0.002 nan 8.250 nan 0.000 0.438 364 A N 0.800 123.572 122.820 -0.080 0.000 1.892 364 A HA -0.215 4.097 4.320 -0.014 0.000 0.218 364 A C 2.273 179.764 177.584 -0.155 0.000 1.188 364 A CA 1.673 53.594 52.037 -0.193 0.000 0.631 364 A CB -1.303 17.517 19.000 -0.300 0.000 0.822 364 A HN 0.713 nan 8.150 nan 0.000 0.447 365 W N 0.580 121.670 121.300 -0.351 0.000 2.358 365 W HA -0.172 4.480 4.660 -0.014 0.000 0.303 365 W C 2.017 178.474 176.519 -0.103 0.000 1.208 365 W CA 1.846 59.030 57.345 -0.268 0.000 1.274 365 W CB -0.150 29.178 29.460 -0.219 0.000 1.138 365 W HN 0.626 nan 8.180 nan 0.000 0.515 366 E N 0.138 120.323 120.200 -0.024 0.000 2.058 366 E HA -0.231 4.110 4.350 -0.014 0.000 0.194 366 E C 2.044 178.564 176.600 -0.134 0.000 0.997 366 E CA 1.994 58.344 56.400 -0.082 0.000 0.801 366 E CB -0.328 29.386 29.700 0.022 0.000 0.746 366 E HN 0.062 nan 8.360 nan 0.000 0.450 367 V N 0.751 120.605 119.914 -0.100 0.000 2.343 367 V HA -0.263 3.848 4.120 -0.014 0.000 0.247 367 V C 2.400 178.427 176.094 -0.111 0.000 1.051 367 V CA 2.193 64.451 62.300 -0.069 0.000 1.036 367 V CB -0.771 31.011 31.823 -0.068 0.000 0.654 367 V HN 0.387 nan 8.190 nan 0.000 0.451 368 T N -0.012 114.405 114.554 -0.227 0.000 2.674 368 T HA -0.177 4.165 4.350 -0.014 0.000 0.265 368 T C 1.960 176.479 174.700 -0.302 0.000 1.039 368 T CA 1.771 63.712 62.100 -0.266 0.000 1.150 368 T CB -0.295 68.366 68.868 -0.345 0.000 0.864 368 T HN 0.269 nan 8.240 nan 0.000 0.427 369 V N 1.473 121.086 119.914 -0.503 0.000 2.287 369 V HA -0.196 3.915 4.120 -0.014 0.000 0.248 369 V C 2.374 178.403 176.094 -0.107 0.000 1.053 369 V CA 1.702 63.762 62.300 -0.400 0.000 1.027 369 V CB -0.502 31.005 31.823 -0.528 0.000 0.646 369 V HN 0.467 nan 8.190 nan 0.000 0.447 370 K N -0.548 119.771 120.400 -0.135 0.000 2.283 370 K HA -0.096 4.216 4.320 -0.014 0.000 0.202 370 K C 2.076 178.604 176.600 -0.119 0.000 1.048 370 K CA 1.544 57.728 56.287 -0.171 0.000 0.948 370 K CB -0.212 32.197 32.500 -0.151 0.000 0.742 370 K HN 0.485 nan 8.250 nan 0.000 0.458 371 T N 0.147 114.701 114.554 -0.000 0.000 2.976 371 T HA 0.018 4.359 4.350 -0.014 0.000 0.257 371 T C 0.914 175.704 174.700 0.149 0.000 1.051 371 T CA 0.407 62.545 62.100 0.064 0.000 1.141 371 T CB 0.105 69.050 68.868 0.130 0.000 0.881 371 T HN 0.166 nan 8.240 nan 0.000 0.461 372 C N 2.260 121.644 119.300 0.140 0.000 2.370 372 C HA 0.889 5.341 4.460 -0.014 0.000 0.354 372 C C 0.573 175.646 174.990 0.138 0.000 1.218 372 C CA -1.222 57.869 59.018 0.122 0.000 2.154 372 C CB 0.203 27.953 27.740 0.016 0.000 2.391 372 C HN 0.595 nan 8.230 nan 0.000 0.540 373 A N 1.938 124.828 122.820 0.118 0.000 2.515 373 A HA 0.782 5.093 4.320 -0.014 0.000 0.298 373 A C -1.600 176.069 177.584 0.142 0.000 1.059 373 A CA -0.427 51.629 52.037 0.033 0.000 0.698 373 A CB 1.107 20.133 19.000 0.044 0.000 1.289 373 A HN 0.960 nan 8.150 nan 0.000 0.404 374 Y N 0.969 121.231 120.300 -0.065 0.000 2.391 374 Y HA 0.629 5.170 4.550 -0.014 0.000 0.341 374 Y C -0.612 175.280 175.900 -0.014 0.000 0.965 374 Y CA -0.320 57.752 58.100 -0.046 0.000 1.067 374 Y CB 2.097 40.486 38.460 -0.118 0.000 1.199 374 Y HN 0.567 nan 8.280 nan 0.000 0.450 375 T N 6.517 120.859 114.554 -0.353 0.000 2.756 375 T HA 0.180 4.521 4.350 -0.014 0.000 0.290 375 T C -0.694 173.574 174.700 -0.720 0.000 0.985 375 T CA -0.762 61.079 62.100 -0.431 0.000 0.955 375 T CB 0.348 69.197 68.868 -0.031 0.000 0.930 375 T HN 0.640 nan 8.240 nan 0.000 0.451 376 N N 1.834 120.099 118.700 -0.725 0.000 2.499 376 N HA 0.105 4.837 4.740 -0.014 0.000 0.281 376 N C 0.177 175.584 175.510 -0.172 0.000 1.098 376 N CA -0.241 52.615 53.050 -0.324 0.000 0.979 376 N CB 0.739 39.207 38.487 -0.032 0.000 1.121 376 N HN 0.645 nan 8.380 nan 0.000 0.466 377 H N 0.982 120.076 119.070 0.040 0.000 2.827 377 H HA 0.157 4.704 4.556 -0.014 0.000 0.269 377 H C -0.121 175.122 175.328 -0.141 0.000 1.031 377 H CA 0.167 56.189 56.048 -0.044 0.000 1.202 377 H CB 1.158 30.904 29.762 -0.026 0.000 1.511 377 H HN 0.544 nan 8.280 nan 0.000 0.517 378 T N -0.110 114.467 114.554 0.039 0.000 2.827 378 T HA 0.222 4.564 4.350 -0.014 0.000 0.328 378 T C 0.439 175.167 174.700 0.047 0.000 1.598 378 T CA -0.250 61.824 62.100 -0.044 0.000 1.043 378 T CB 1.158 69.987 68.868 -0.065 0.000 1.447 378 T HN -0.065 nan 8.240 nan 0.000 0.491 379 V N 1.388 121.293 119.914 -0.016 0.000 3.643 379 V HA 0.550 4.661 4.120 -0.014 0.000 0.280 379 V C 0.803 176.861 176.094 -0.059 0.000 1.351 379 V CA 0.025 62.302 62.300 -0.038 0.000 1.073 379 V CB -0.479 31.320 31.823 -0.040 0.000 0.863 379 V HN 0.707 nan 8.190 nan 0.000 0.436 380 L N 3.043 124.220 121.223 -0.076 0.000 2.534 380 L HA 0.172 4.504 4.340 -0.014 0.000 0.271 380 L C -0.573 176.299 176.870 0.004 0.000 1.178 380 L CA -0.886 53.932 54.840 -0.038 0.000 0.907 380 L CB 0.588 42.604 42.059 -0.071 0.000 1.164 380 L HN 0.150 nan 8.230 nan 0.000 0.482 381 P HA -0.208 nan 4.420 nan 0.000 0.218 381 P C 0.994 178.312 177.300 0.030 0.000 1.148 381 P CA 1.227 64.334 63.100 0.013 0.000 0.822 381 P CB 0.042 31.753 31.700 0.018 0.000 0.784 382 E N 0.330 120.582 120.200 0.086 0.000 2.409 382 E HA -0.061 4.280 4.350 -0.014 0.000 0.198 382 E C 1.623 178.266 176.600 0.072 0.000 1.024 382 E CA 1.108 57.581 56.400 0.121 0.000 0.861 382 E CB -0.758 29.118 29.700 0.293 0.000 0.788 382 E HN 0.204 nan 8.360 nan 0.000 0.521 383 A N 1.276 124.144 122.820 0.080 0.000 2.195 383 A HA 0.228 4.540 4.320 -0.014 0.000 0.210 383 A C 1.334 178.926 177.584 0.013 0.000 1.165 383 A CA -0.291 51.797 52.037 0.085 0.000 0.806 383 A CB -0.059 19.007 19.000 0.110 0.000 0.847 383 A HN 0.138 nan 8.150 nan 0.000 0.482 384 L N 1.540 122.727 121.223 -0.061 0.000 2.410 384 L HA 0.142 4.473 4.340 -0.014 0.000 0.273 384 L C -0.119 176.447 176.870 -0.508 0.000 1.152 384 L CA -0.122 54.617 54.840 -0.168 0.000 0.855 384 L CB 0.582 42.569 42.059 -0.120 0.000 1.129 384 L HN 0.338 nan 8.230 nan 0.000 0.463 385 E N 4.261 124.061 120.200 -0.667 0.000 2.180 385 E HA 0.229 4.571 4.350 -0.014 0.000 0.283 385 E C -0.606 175.340 176.600 -1.090 0.000 1.061 385 E CA -0.200 55.344 56.400 -1.427 0.000 0.861 385 E CB 0.746 29.959 29.700 -0.812 0.000 1.056 385 E HN 0.393 nan 8.360 nan 0.000 0.407 386 R N 3.577 123.271 120.500 -1.344 0.000 2.472 386 R HA 0.203 4.535 4.340 -0.014 0.000 0.294 386 R C -1.277 174.817 176.300 -0.343 0.000 1.243 386 R CA -0.527 55.241 56.100 -0.553 0.000 1.023 386 R CB 0.826 30.948 30.300 -0.297 0.000 1.157 386 R HN 0.447 nan 8.270 nan 0.000 0.530 387 W N 4.566 125.798 121.300 -0.112 0.000 2.287 387 W HA 0.276 4.927 4.660 -0.014 0.000 0.313 387 W C -1.862 174.631 176.519 -0.043 0.000 1.267 387 W CA -2.132 55.221 57.345 0.014 0.000 1.201 387 W CB 0.736 30.180 29.460 -0.025 0.000 1.196 387 W HN 0.264 nan 8.180 nan 0.000 0.536 388 P HA -0.103 nan 4.420 nan 0.000 0.265 388 P C 0.794 178.034 177.300 -0.100 0.000 1.193 388 P CA 0.249 63.323 63.100 -0.044 0.000 0.765 388 P CB 0.703 32.201 31.700 -0.336 0.000 0.823 389 V N 3.183 123.084 119.914 -0.022 0.000 2.392 389 V HA -0.286 3.826 4.120 -0.014 0.000 0.249 389 V C 2.152 178.249 176.094 0.003 0.000 1.059 389 V CA 2.561 64.870 62.300 0.014 0.000 1.051 389 V CB -1.710 30.184 31.823 0.117 0.000 0.658 389 V HN 0.761 nan 8.190 nan 0.000 0.455 390 H N -0.980 118.147 119.070 0.096 0.000 2.456 390 H HA -0.084 4.463 4.556 -0.014 0.000 0.296 390 H C 2.003 177.378 175.328 0.079 0.000 1.079 390 H CA 1.621 57.721 56.048 0.086 0.000 1.322 390 H CB -0.652 29.162 29.762 0.087 0.000 1.388 390 H HN 0.353 nan 8.280 nan 0.000 0.538 391 L N -0.056 121.021 121.223 -0.244 0.000 2.027 391 L HA -0.114 4.217 4.340 -0.014 0.000 0.206 391 L C 2.437 179.262 176.870 -0.076 0.000 1.074 391 L CA 1.148 55.944 54.840 -0.073 0.000 0.745 391 L CB -0.301 41.706 42.059 -0.087 0.000 0.898 391 L HN 0.302 nan 8.230 nan 0.000 0.433 392 L N -0.696 120.456 121.223 -0.119 0.000 2.093 392 L HA -0.228 4.104 4.340 -0.014 0.000 0.208 392 L C 2.532 179.339 176.870 -0.104 0.000 1.085 392 L CA 1.125 55.868 54.840 -0.161 0.000 0.755 392 L CB -0.439 41.513 42.059 -0.178 0.000 0.904 392 L HN 0.314 nan 8.230 nan 0.000 0.435 393 E N -0.386 119.795 120.200 -0.031 0.000 2.085 393 E HA -0.222 4.120 4.350 -0.014 0.000 0.194 393 E C 1.937 178.573 176.600 0.060 0.000 0.994 393 E CA 1.968 58.382 56.400 0.023 0.000 0.801 393 E CB 0.124 29.876 29.700 0.088 0.000 0.743 393 E HN 0.449 nan 8.360 nan 0.000 0.453 394 T N 0.849 115.461 114.554 0.097 0.000 2.770 394 T HA -0.098 4.243 4.350 -0.014 0.000 0.258 394 T C 1.771 176.568 174.700 0.161 0.000 1.039 394 T CA 0.797 63.003 62.100 0.177 0.000 1.143 394 T CB -0.187 68.818 68.868 0.229 0.000 0.866 394 T HN 0.067 nan 8.240 nan 0.000 0.428 395 L N 0.013 121.233 121.223 -0.006 0.000 2.095 395 L HA 0.310 4.642 4.340 -0.014 0.000 0.204 395 L C 0.451 177.261 176.870 -0.100 0.000 1.080 395 L CA 1.627 56.347 54.840 -0.199 0.000 0.759 395 L CB -0.028 41.880 42.059 -0.251 0.000 0.914 395 L HN 0.190 nan 8.230 nan 0.000 0.439 396 L N 0.546 121.672 121.223 -0.162 0.000 2.551 396 L HA 0.286 4.617 4.340 -0.014 0.000 0.248 396 L C -1.726 174.965 176.870 -0.298 0.000 1.509 396 L CA -0.929 53.728 54.840 -0.304 0.000 0.842 396 L CB 0.927 42.656 42.059 -0.549 0.000 1.087 396 L HN -0.052 nan 8.230 nan 0.000 0.512 397 P HA -0.172 nan 4.420 nan 0.000 0.218 397 P C 1.447 178.554 177.300 -0.321 0.000 1.149 397 P CA 1.042 64.024 63.100 -0.198 0.000 0.817 397 P CB 0.393 32.054 31.700 -0.064 0.000 0.785 398 R N -0.150 119.972 120.500 -0.630 0.000 2.090 398 R HA -0.113 4.219 4.340 -0.014 0.000 0.228 398 R C 2.245 178.231 176.300 -0.522 0.000 1.110 398 R CA 1.564 57.297 56.100 -0.612 0.000 0.973 398 R CB -1.613 28.156 30.300 -0.885 0.000 0.869 398 R HN 0.237 nan 8.270 nan 0.000 0.440 399 H N -0.354 118.402 119.070 -0.524 0.000 2.389 399 H HA -0.034 4.514 4.556 -0.014 0.000 0.299 399 H C 1.775 176.930 175.328 -0.288 0.000 1.081 399 H CA 1.553 57.381 56.048 -0.367 0.000 1.345 399 H CB -0.083 29.428 29.762 -0.418 0.000 1.393 399 H HN 0.073 nan 8.280 nan 0.000 0.520 400 L N 0.566 121.663 121.223 -0.210 0.000 2.017 400 L HA -0.253 4.079 4.340 -0.014 0.000 0.208 400 L C 1.868 178.540 176.870 -0.331 0.000 1.073 400 L CA 1.669 56.316 54.840 -0.322 0.000 0.745 400 L CB -0.324 41.561 42.059 -0.289 0.000 0.894 400 L HN 0.452 nan 8.230 nan 0.000 0.432 401 Q N -0.317 119.399 119.800 -0.140 0.000 2.096 401 Q HA -0.243 4.089 4.340 -0.014 0.000 0.204 401 Q C 2.155 178.172 176.000 0.028 0.000 0.982 401 Q CA 1.690 57.502 55.803 0.015 0.000 0.850 401 Q CB -0.125 28.625 28.738 0.020 0.000 0.901 401 Q HN 0.555 nan 8.270 nan 0.000 0.422 402 I N 0.355 120.922 120.570 -0.006 0.000 2.252 402 I HA -0.268 3.893 4.170 -0.014 0.000 0.245 402 I C 2.147 178.342 176.117 0.129 0.000 1.102 402 I CA 1.014 62.395 61.300 0.134 0.000 1.385 402 I CB -0.139 37.893 38.000 0.052 0.000 1.064 402 I HN 0.185 nan 8.210 nan 0.000 0.414 403 I N -0.470 120.092 120.570 -0.013 0.000 2.226 403 I HA -0.322 3.839 4.170 -0.014 0.000 0.245 403 I C 2.400 178.532 176.117 0.025 0.000 1.100 403 I CA 1.437 62.718 61.300 -0.032 0.000 1.374 403 I CB -0.398 37.517 38.000 -0.141 0.000 1.057 403 I HN 0.151 nan 8.210 nan 0.000 0.413 404 Y N 0.849 121.156 120.300 0.011 0.000 2.165 404 Y HA -0.287 4.254 4.550 -0.014 0.000 0.286 404 Y C 2.616 178.485 175.900 -0.052 0.000 1.155 404 Y CA 1.619 59.712 58.100 -0.012 0.000 1.164 404 Y CB -0.825 37.620 38.460 -0.026 0.000 0.978 404 Y HN 0.202 nan 8.280 nan 0.000 0.513 405 E N 0.344 120.585 120.200 0.069 0.000 2.072 405 E HA -0.145 4.197 4.350 -0.014 0.000 0.191 405 E C 2.077 178.598 176.600 -0.133 0.000 0.985 405 E CA 1.274 57.572 56.400 -0.169 0.000 0.801 405 E CB -0.541 28.890 29.700 -0.450 0.000 0.750 405 E HN 0.473 nan 8.360 nan 0.000 0.452 406 I N 0.691 121.293 120.570 0.053 0.000 2.163 406 I HA -0.298 3.864 4.170 -0.014 0.000 0.243 406 I C 2.295 178.422 176.117 0.017 0.000 1.085 406 I CA 1.427 62.716 61.300 -0.019 0.000 1.347 406 I CB -0.417 37.575 38.000 -0.013 0.000 1.044 406 I HN 0.214 nan 8.210 nan 0.000 0.408 407 N N 0.664 119.420 118.700 0.092 0.000 2.084 407 N HA -0.273 4.458 4.740 -0.014 0.000 0.190 407 N C 1.880 177.479 175.510 0.148 0.000 1.030 407 N CA 1.593 54.746 53.050 0.170 0.000 0.849 407 N CB -0.188 38.416 38.487 0.195 0.000 1.012 407 N HN 0.329 nan 8.380 nan 0.000 0.423 408 Q N 0.135 119.967 119.800 0.054 0.000 2.061 408 Q HA -0.159 4.173 4.340 -0.014 0.000 0.204 408 Q C 2.001 177.986 176.000 -0.024 0.000 0.984 408 Q CA 1.441 57.239 55.803 -0.008 0.000 0.846 408 Q CB -0.041 28.651 28.738 -0.075 0.000 0.902 408 Q HN 0.399 nan 8.270 nan 0.000 0.421 409 R N -0.678 119.786 120.500 -0.060 0.000 2.092 409 R HA -0.121 4.210 4.340 -0.014 0.000 0.231 409 R C 2.201 178.527 176.300 0.042 0.000 1.119 409 R CA 1.329 57.392 56.100 -0.062 0.000 0.970 409 R CB -0.378 29.832 30.300 -0.149 0.000 0.864 409 R HN 0.276 nan 8.270 nan 0.000 0.440 410 F N 1.438 121.363 119.950 -0.042 0.000 2.113 410 F HA -0.107 4.411 4.527 -0.014 0.000 0.297 410 F C 1.823 177.645 175.800 0.036 0.000 1.103 410 F CA 1.365 59.387 58.000 0.037 0.000 1.248 410 F CB -0.168 38.885 39.000 0.088 0.000 0.999 410 F HN -0.112 nan 8.300 nan 0.000 0.475 411 L N -0.039 121.186 121.223 0.004 0.000 2.201 411 L HA -0.217 4.115 4.340 -0.014 0.000 0.212 411 L C 1.965 178.768 176.870 -0.113 0.000 1.105 411 L CA 1.456 56.238 54.840 -0.098 0.000 0.775 411 L CB -0.888 41.180 42.059 0.015 0.000 0.913 411 L HN 0.248 nan 8.230 nan 0.000 0.440 412 N N -0.130 118.525 118.700 -0.076 0.000 2.166 412 N HA -0.178 4.554 4.740 -0.014 0.000 0.186 412 N C 1.923 177.380 175.510 -0.088 0.000 1.019 412 N CA 0.811 53.818 53.050 -0.071 0.000 0.856 412 N CB -0.013 38.440 38.487 -0.057 0.000 0.993 412 N HN 0.272 nan 8.380 nan 0.000 0.426 413 R N 0.492 120.919 120.500 -0.120 0.000 2.092 413 R HA -0.030 4.301 4.340 -0.014 0.000 0.231 413 R C 2.137 178.338 176.300 -0.166 0.000 1.119 413 R CA 0.762 56.785 56.100 -0.129 0.000 0.970 413 R CB -0.156 30.076 30.300 -0.113 0.000 0.864 413 R HN 0.075 nan 8.270 nan 0.000 0.440 414 V N 0.742 120.503 119.914 -0.255 0.000 2.358 414 V HA -0.225 3.887 4.120 -0.014 0.000 0.246 414 V C 2.384 178.476 176.094 -0.005 0.000 1.047 414 V CA 1.956 64.171 62.300 -0.142 0.000 1.035 414 V CB -0.686 30.978 31.823 -0.264 0.000 0.658 414 V HN 0.403 nan 8.190 nan 0.000 0.452 415 A N 0.053 122.842 122.820 -0.052 0.000 1.933 415 A HA -0.104 4.207 4.320 -0.014 0.000 0.218 415 A C 2.372 179.937 177.584 -0.031 0.000 1.175 415 A CA 2.082 54.105 52.037 -0.023 0.000 0.628 415 A CB -0.683 18.294 19.000 -0.037 0.000 0.814 415 A HN 0.577 nan 8.150 nan 0.000 0.444 416 A N -0.666 122.116 122.820 -0.062 0.000 2.014 416 A HA 0.326 4.638 4.320 -0.014 0.000 0.218 416 A C 2.339 179.841 177.584 -0.136 0.000 1.163 416 A CA 1.648 53.637 52.037 -0.080 0.000 0.652 416 A CB -0.611 18.346 19.000 -0.073 0.000 0.808 416 A HN 0.940 nan 8.150 nan 0.000 0.449 417 A N -1.600 121.103 122.820 -0.196 0.000 1.984 417 A HA 0.398 4.710 4.320 -0.014 0.000 0.214 417 A C 0.442 177.596 177.584 -0.717 0.000 1.173 417 A CA 0.477 52.236 52.037 -0.464 0.000 0.673 417 A CB -0.120 18.548 19.000 -0.552 0.000 0.830 417 A HN 0.410 nan 8.150 nan 0.000 0.453 418 F N 0.134 120.037 119.950 -0.078 0.000 2.584 418 F HA 0.345 4.863 4.527 -0.014 0.000 0.328 418 F C -2.769 172.995 175.800 -0.061 0.000 1.407 418 F CA -2.783 55.176 58.000 -0.068 0.000 1.145 418 F CB 0.761 39.712 39.000 -0.081 0.000 1.440 418 F HN -0.065 nan 8.300 nan 0.000 0.580 419 P HA 0.181 nan 4.420 nan 0.000 0.264 419 P C 1.019 178.339 177.300 0.034 0.000 1.193 419 P CA 1.048 64.160 63.100 0.020 0.000 0.763 419 P CB 0.884 32.578 31.700 -0.010 0.000 0.810 420 G N 2.480 111.293 108.800 0.021 0.000 2.234 420 G HA2 -0.244 3.707 3.960 -0.014 0.000 0.260 420 G HA3 -0.244 3.707 3.960 -0.014 0.000 0.260 420 G C 0.330 175.239 174.900 0.015 0.000 0.987 420 G CA 0.033 45.142 45.100 0.014 0.000 0.625 420 G HN 0.606 nan 8.290 nan 0.000 0.532 421 D N 1.475 121.892 120.400 0.028 0.000 2.508 421 D HA 0.377 5.009 4.640 -0.014 0.000 0.224 421 D C 2.073 178.362 176.300 -0.019 0.000 1.171 421 D CA 0.422 54.423 54.000 0.003 0.000 1.006 421 D CB 0.438 41.238 40.800 0.000 0.000 1.073 421 D HN 0.597 nan 8.370 nan 0.000 0.513 422 V N 0.717 120.622 119.914 -0.015 0.000 2.548 422 V HA -0.102 4.010 4.120 -0.014 0.000 0.249 422 V C 1.754 177.835 176.094 -0.021 0.000 1.055 422 V CA 1.321 63.612 62.300 -0.016 0.000 1.065 422 V CB -0.381 31.437 31.823 -0.009 0.000 0.681 422 V HN 0.203 nan 8.190 nan 0.000 0.462 423 D N 0.389 120.772 120.400 -0.027 0.000 2.183 423 D HA -0.132 4.499 4.640 -0.014 0.000 0.203 423 D C 2.313 178.585 176.300 -0.047 0.000 0.969 423 D CA 1.116 55.100 54.000 -0.026 0.000 0.842 423 D CB -0.164 40.622 40.800 -0.023 0.000 0.957 423 D HN 0.427 nan 8.370 nan 0.000 0.484 424 R N -0.120 120.327 120.500 -0.088 0.000 2.081 424 R HA -0.100 4.231 4.340 -0.014 0.000 0.235 424 R C 2.240 178.470 176.300 -0.117 0.000 1.131 424 R CA 0.965 56.975 56.100 -0.149 0.000 0.960 424 R CB -0.274 29.875 30.300 -0.253 0.000 0.856 424 R HN 0.243 nan 8.270 nan 0.000 0.436 425 L N 0.654 121.832 121.223 -0.075 0.000 2.012 425 L HA -0.243 4.089 4.340 -0.014 0.000 0.210 425 L C 2.773 179.645 176.870 0.004 0.000 1.073 425 L CA 2.088 56.903 54.840 -0.042 0.000 0.748 425 L CB -0.562 41.482 42.059 -0.025 0.000 0.891 425 L HN 0.335 nan 8.230 nan 0.000 0.431 426 R N 0.068 120.577 120.500 0.014 0.000 2.115 426 R HA -0.119 4.212 4.340 -0.014 0.000 0.230 426 R C 2.235 178.587 176.300 0.086 0.000 1.111 426 R CA 1.068 57.199 56.100 0.051 0.000 0.976 426 R CB -0.434 29.890 30.300 0.040 0.000 0.870 426 R HN 0.232 nan 8.270 nan 0.000 0.445 427 R N 0.145 120.679 120.500 0.057 0.000 2.115 427 R HA 0.090 4.422 4.340 -0.014 0.000 0.226 427 R C 2.043 178.437 176.300 0.158 0.000 1.100 427 R CA 1.656 57.819 56.100 0.103 0.000 0.980 427 R CB -0.120 30.203 30.300 0.038 0.000 0.875 427 R HN 0.340 nan 8.270 nan 0.000 0.445 428 M N -0.014 119.601 119.600 0.024 0.000 2.509 428 M HA 0.051 4.522 4.480 -0.014 0.000 0.250 428 M C 0.799 177.256 176.300 0.262 0.000 1.132 428 M CA -0.011 55.245 55.300 -0.072 0.000 1.080 428 M CB 0.540 32.926 32.600 -0.357 0.000 1.408 428 M HN -0.094 nan 8.290 nan 0.000 0.484 429 S N 1.162 117.026 115.700 0.273 0.000 2.552 429 S HA 0.076 4.538 4.470 -0.014 0.000 0.289 429 S C 1.169 176.019 174.600 0.415 0.000 1.304 429 S CA -0.287 58.096 58.200 0.307 0.000 1.063 429 S CB 0.555 63.878 63.200 0.205 0.000 0.848 429 S HN 0.367 nan 8.310 nan 0.000 0.499 430 L N 4.289 125.713 121.223 0.336 0.000 2.291 430 L HA 0.074 4.405 4.340 -0.014 0.000 0.214 430 L C 0.417 177.396 176.870 0.182 0.000 1.120 430 L CA 0.373 55.370 54.840 0.261 0.000 0.799 430 L CB -0.504 41.650 42.059 0.160 0.000 0.925 430 L HN 0.408 nan 8.230 nan 0.000 0.446 431 V N 1.024 121.057 119.914 0.198 0.000 2.364 431 V HA 0.144 4.255 4.120 -0.014 0.000 0.272 431 V C 0.164 176.347 176.094 0.147 0.000 1.036 431 V CA -0.517 61.888 62.300 0.175 0.000 0.880 431 V CB 1.177 33.139 31.823 0.232 0.000 0.991 431 V HN 0.181 nan 8.190 nan 0.000 0.460 432 E N 3.112 123.378 120.200 0.110 0.000 2.200 432 E HA 0.351 4.693 4.350 -0.014 0.000 0.283 432 E C -0.500 176.152 176.600 0.086 0.000 1.015 432 E CA -0.482 55.973 56.400 0.091 0.000 0.819 432 E CB 1.702 31.435 29.700 0.056 0.000 1.081 432 E HN 0.626 nan 8.360 nan 0.000 0.397 433 E N 1.220 121.467 120.200 0.079 0.000 2.318 433 E HA 0.599 4.941 4.350 -0.014 0.000 0.265 433 E C -0.026 176.610 176.600 0.060 0.000 1.069 433 E CA 0.178 56.619 56.400 0.068 0.000 0.893 433 E CB 1.383 31.117 29.700 0.057 0.000 1.076 433 E HN 0.618 nan 8.360 nan 0.000 0.414 434 G N 0.567 109.401 108.800 0.058 0.000 2.368 434 G HA2 0.313 4.265 3.960 -0.014 0.000 0.269 434 G HA3 0.313 4.265 3.960 -0.014 0.000 0.269 434 G C 0.325 175.257 174.900 0.055 0.000 1.291 434 G CA 0.206 45.337 45.100 0.052 0.000 0.903 434 G HN 0.617 nan 8.290 nan 0.000 0.483 435 A N -0.868 121.983 122.820 0.052 0.000 1.859 435 A HA 0.288 4.600 4.320 -0.014 0.000 0.218 435 A C 1.670 179.296 177.584 0.072 0.000 1.209 435 A CA 3.570 55.639 52.037 0.053 0.000 0.639 435 A CB -1.302 17.727 19.000 0.049 0.000 0.835 435 A HN 2.254 nan 8.150 nan 0.000 0.450 436 V N -2.859 117.108 119.914 0.088 0.000 2.435 436 V HA 0.515 4.626 4.120 -0.014 0.000 0.290 436 V C -0.367 175.795 176.094 0.113 0.000 1.030 436 V CA -1.380 60.995 62.300 0.125 0.000 0.881 436 V CB 1.369 33.293 31.823 0.168 0.000 0.983 436 V HN 0.313 nan 8.190 nan 0.000 0.445 437 K N 4.074 124.550 120.400 0.127 0.000 2.350 437 K HA 0.484 4.796 4.320 -0.014 0.000 0.279 437 K C -0.346 176.319 176.600 0.107 0.000 1.027 437 K CA -0.162 56.195 56.287 0.117 0.000 0.969 437 K CB 0.928 33.511 32.500 0.137 0.000 0.954 437 K HN 0.738 nan 8.250 nan 0.000 0.474 438 R N 1.706 122.258 120.500 0.088 0.000 2.837 438 R HA 0.472 4.804 4.340 -0.014 0.000 0.271 438 R C -0.574 175.761 176.300 0.058 0.000 0.993 438 R CA -1.018 55.122 56.100 0.065 0.000 0.931 438 R CB 1.329 31.650 30.300 0.034 0.000 1.206 438 R HN 0.372 nan 8.270 nan 0.000 0.474 439 I N 1.999 122.598 120.570 0.049 0.000 2.321 439 I HA 0.149 4.310 4.170 -0.014 0.000 0.291 439 I C -0.088 176.010 176.117 -0.033 0.000 0.998 439 I CA -0.712 60.604 61.300 0.028 0.000 1.227 439 I CB 1.024 39.039 38.000 0.026 0.000 1.368 439 I HN 0.496 nan 8.210 nan 0.000 0.466 440 N N 7.153 125.809 118.700 -0.073 0.000 2.402 440 N HA 0.099 4.830 4.740 -0.014 0.000 0.252 440 N C 0.782 176.192 175.510 -0.166 0.000 1.118 440 N CA -0.308 52.620 53.050 -0.204 0.000 0.945 440 N CB 0.962 39.199 38.487 -0.418 0.000 1.147 440 N HN 0.374 nan 8.380 nan 0.000 0.495 441 M N 2.394 121.893 119.600 -0.168 0.000 2.319 441 M HA -0.034 4.438 4.480 -0.014 0.000 0.265 441 M C 1.912 178.069 176.300 -0.238 0.000 1.068 441 M CA 0.625 55.845 55.300 -0.135 0.000 1.118 441 M CB -1.526 31.038 32.600 -0.060 0.000 1.395 441 M HN 0.601 nan 8.290 nan 0.000 0.435 442 A N -0.381 122.293 122.820 -0.244 0.000 1.933 442 A HA -0.175 4.136 4.320 -0.014 0.000 0.218 442 A C 1.992 179.351 177.584 -0.375 0.000 1.175 442 A CA 1.497 53.354 52.037 -0.300 0.000 0.628 442 A CB -1.108 17.919 19.000 0.045 0.000 0.814 442 A HN 0.594 nan 8.150 nan 0.000 0.444 443 H N -1.124 117.732 119.070 -0.356 0.000 2.357 443 H HA -0.006 4.542 4.556 -0.014 0.000 0.301 443 H C 2.128 177.242 175.328 -0.356 0.000 1.082 443 H CA 0.882 56.689 56.048 -0.402 0.000 1.342 443 H CB -0.059 29.677 29.762 -0.043 0.000 1.389 443 H HN 0.360 nan 8.280 nan 0.000 0.511 444 L N 0.460 121.609 121.223 -0.123 0.000 2.012 444 L HA -0.248 4.083 4.340 -0.014 0.000 0.210 444 L C 2.273 179.011 176.870 -0.220 0.000 1.073 444 L CA 1.379 56.140 54.840 -0.132 0.000 0.748 444 L CB -0.418 41.589 42.059 -0.086 0.000 0.891 444 L HN 0.457 nan 8.230 nan 0.000 0.431 445 C N -0.053 119.015 119.300 -0.386 0.000 2.429 445 C HA -0.173 4.278 4.460 -0.014 0.000 0.277 445 C C 2.660 177.402 174.990 -0.413 0.000 1.262 445 C CA 0.627 59.337 59.018 -0.514 0.000 1.733 445 C CB -0.735 26.319 27.740 -1.144 0.000 2.010 445 C HN 0.510 nan 8.230 nan 0.000 0.483 446 I N 1.406 121.685 120.570 -0.486 0.000 2.179 446 I HA -0.203 3.959 4.170 -0.014 0.000 0.242 446 I C 2.766 178.740 176.117 -0.239 0.000 1.088 446 I CA 1.653 62.712 61.300 -0.402 0.000 1.357 446 I CB -0.599 37.022 38.000 -0.631 0.000 1.051 446 I HN 0.266 nan 8.210 nan 0.000 0.409 447 A N 0.593 123.243 122.820 -0.284 0.000 1.908 447 A HA -0.145 4.167 4.320 -0.014 0.000 0.218 447 A C 2.228 179.854 177.584 0.070 0.000 1.181 447 A CA 2.039 53.948 52.037 -0.212 0.000 0.627 447 A CB -1.245 17.441 19.000 -0.523 0.000 0.818 447 A HN 0.494 nan 8.150 nan 0.000 0.445 448 G N -1.340 107.441 108.800 -0.032 0.000 3.284 448 G HA2 0.415 4.366 3.960 -0.014 0.000 0.236 448 G HA3 0.415 4.366 3.960 -0.014 0.000 0.236 448 G C 0.116 174.854 174.900 -0.270 0.000 1.158 448 G CA 0.534 45.497 45.100 -0.229 0.000 0.774 448 G HN 0.362 nan 8.290 nan 0.000 0.545 449 S N -0.285 115.313 115.700 -0.170 0.000 2.536 449 S HA 0.318 4.780 4.470 -0.014 0.000 0.298 449 S C 0.761 175.314 174.600 -0.079 0.000 1.083 449 S CA -0.701 57.431 58.200 -0.114 0.000 0.995 449 S CB 1.325 64.465 63.200 -0.101 0.000 1.058 449 S HN 0.493 nan 8.310 nan 0.000 0.488 450 H N 0.046 119.076 119.070 -0.067 0.000 2.548 450 H HA 0.448 4.996 4.556 -0.014 0.000 0.268 450 H C 0.146 175.461 175.328 -0.021 0.000 0.975 450 H CA 0.369 56.405 56.048 -0.019 0.000 1.195 450 H CB 0.130 29.893 29.762 0.001 0.000 1.397 450 H HN 0.518 nan 8.280 nan 0.000 0.572 451 A N 1.033 123.521 122.820 -0.553 0.000 2.455 451 A HA 0.566 4.877 4.320 -0.014 0.000 0.300 451 A C -1.379 176.002 177.584 -0.339 0.000 1.040 451 A CA -0.582 51.188 52.037 -0.445 0.000 0.697 451 A CB 2.276 20.959 19.000 -0.529 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.153 123.837 119.914 -0.384 0.000 2.577 452 V HA 0.514 4.626 4.120 -0.014 0.000 0.303 452 V C -0.799 175.121 176.094 -0.289 0.000 1.042 452 V CA -0.805 61.272 62.300 -0.373 0.000 0.872 452 V CB 1.801 33.261 31.823 -0.604 0.000 0.998 452 V HN 1.009 nan 8.190 nan 0.000 0.423 453 N N 3.178 121.727 118.700 -0.251 0.000 2.240 453 N HA 0.606 5.337 4.740 -0.014 0.000 0.302 453 N C -0.197 175.224 175.510 -0.149 0.000 1.106 453 N CA -0.366 52.577 53.050 -0.178 0.000 0.778 453 N CB 2.872 41.227 38.487 -0.220 0.000 1.431 453 N HN 0.631 nan 8.380 nan 0.000 0.479 454 G N -0.680 108.070 108.800 -0.084 0.000 2.535 454 G HA2 0.416 4.367 3.960 -0.014 0.000 0.303 454 G HA3 0.416 4.367 3.960 -0.014 0.000 0.303 454 G C 0.756 175.720 174.900 0.107 0.000 1.237 454 G CA -0.423 44.688 45.100 0.019 0.000 0.986 454 G HN 0.631 nan 8.290 nan 0.000 0.494 455 V N -3.949 116.133 119.914 0.280 0.000 3.477 455 V HA 0.701 4.813 4.120 -0.014 0.000 0.297 455 V C 0.552 176.716 176.094 0.117 0.000 1.433 455 V CA 0.425 62.794 62.300 0.115 0.000 1.052 455 V CB -0.683 31.144 31.823 0.007 0.000 0.895 455 V HN 1.316 nan 8.190 nan 0.000 0.438 456 A N 0.006 122.910 122.820 0.141 0.000 2.605 456 A HA 0.652 4.963 4.320 -0.014 0.000 0.294 456 A C 0.712 178.344 177.584 0.080 0.000 1.062 456 A CA -0.102 51.996 52.037 0.103 0.000 0.682 456 A CB 1.260 20.309 19.000 0.082 0.000 1.278 456 A HN 0.017 nan 8.150 nan 0.000 0.410 457 R N 0.698 121.225 120.500 0.045 0.000 2.096 457 R HA -0.158 4.174 4.340 -0.014 0.000 0.240 457 R C 1.642 177.939 176.300 -0.005 0.000 1.139 457 R CA 2.290 58.394 56.100 0.008 0.000 0.952 457 R CB -0.245 30.055 30.300 -0.001 0.000 0.854 457 R HN 0.819 nan 8.270 nan 0.000 0.436 458 I N 0.243 120.819 120.570 0.010 0.000 2.286 458 I HA -0.296 3.866 4.170 -0.014 0.000 0.248 458 I C 2.363 178.488 176.117 0.013 0.000 1.115 458 I CA 1.863 63.161 61.300 -0.003 0.000 1.392 458 I CB -0.229 37.768 38.000 -0.005 0.000 1.065 458 I HN 0.353 nan 8.210 nan 0.000 0.418 459 H N 0.261 119.300 119.070 -0.051 0.000 2.326 459 H HA -0.118 4.429 4.556 -0.014 0.000 0.301 459 H C 2.269 177.561 175.328 -0.060 0.000 1.081 459 H CA 2.187 58.200 56.048 -0.058 0.000 1.334 459 H CB -0.269 29.463 29.762 -0.049 0.000 1.385 459 H HN 0.228 nan 8.280 nan 0.000 0.504 460 S N 0.378 115.962 115.700 -0.194 0.000 2.399 460 S HA -0.129 4.333 4.470 -0.014 0.000 0.231 460 S C 1.875 176.353 174.600 -0.203 0.000 1.022 460 S CA 1.240 59.306 58.200 -0.223 0.000 0.983 460 S CB -0.078 63.062 63.200 -0.099 0.000 0.803 460 S HN 0.497 nan 8.310 nan 0.000 0.480 461 E N 1.108 121.210 120.200 -0.162 0.000 2.072 461 E HA 0.015 4.356 4.350 -0.014 0.000 0.190 461 E C 2.021 178.504 176.600 -0.195 0.000 0.982 461 E CA 0.609 56.903 56.400 -0.177 0.000 0.803 461 E CB -0.345 29.283 29.700 -0.121 0.000 0.755 461 E HN 0.512 nan 8.360 nan 0.000 0.453 462 I N 1.051 121.519 120.570 -0.169 0.000 2.286 462 I HA -0.267 3.894 4.170 -0.014 0.000 0.248 462 I C 2.393 178.379 176.117 -0.217 0.000 1.115 462 I CA 0.759 61.963 61.300 -0.160 0.000 1.392 462 I CB -0.231 37.707 38.000 -0.102 0.000 1.065 462 I HN 0.057 nan 8.210 nan 0.000 0.418 463 L N 0.431 121.486 121.223 -0.280 0.000 2.046 463 L HA -0.228 4.104 4.340 -0.014 0.000 0.208 463 L C 2.452 179.193 176.870 -0.215 0.000 1.077 463 L CA 1.607 56.294 54.840 -0.255 0.000 0.747 463 L CB -0.574 41.402 42.059 -0.138 0.000 0.896 463 L HN 0.210 nan 8.230 nan 0.000 0.432 464 K N -0.259 119.939 120.400 -0.336 0.000 2.228 464 K HA -0.085 4.226 4.320 -0.014 0.000 0.202 464 K C 1.987 178.376 176.600 -0.352 0.000 1.051 464 K CA 0.754 56.702 56.287 -0.565 0.000 0.960 464 K CB 0.104 32.010 32.500 -0.990 0.000 0.743 464 K HN 0.272 nan 8.250 nan 0.000 0.458 465 K N 0.003 120.259 120.400 -0.240 0.000 2.242 465 K HA -0.010 4.301 4.320 -0.014 0.000 0.200 465 K C 1.947 178.490 176.600 -0.096 0.000 1.050 465 K CA 1.344 57.544 56.287 -0.145 0.000 0.981 465 K CB 0.553 32.977 32.500 -0.127 0.000 0.795 465 K HN 0.245 nan 8.250 nan 0.000 0.477 466 T N -1.138 113.348 114.554 -0.113 0.000 3.479 466 T HA 0.058 4.399 4.350 -0.014 0.000 0.197 466 T C 1.999 176.651 174.700 -0.080 0.000 0.912 466 T CA 0.013 62.060 62.100 -0.088 0.000 1.281 466 T CB -0.758 68.052 68.868 -0.096 0.000 1.588 466 T HN 0.114 nan 8.240 nan 0.000 0.389 467 I N -1.131 119.330 120.570 -0.181 0.000 2.394 467 I HA 0.265 4.426 4.170 -0.014 0.000 0.251 467 I C 1.383 177.472 176.117 -0.047 0.000 1.136 467 I CA 1.240 62.406 61.300 -0.223 0.000 1.425 467 I CB -0.543 37.179 38.000 -0.463 0.000 1.079 467 I HN 0.235 nan 8.210 nan 0.000 0.425 468 F N 0.989 121.005 119.950 0.111 0.000 2.772 468 F HA 0.343 4.861 4.527 -0.014 0.000 0.302 468 F C 1.990 177.873 175.800 0.139 0.000 1.136 468 F CA -0.648 57.483 58.000 0.219 0.000 1.322 468 F CB 0.163 39.289 39.000 0.210 0.000 0.967 468 F HN -0.078 nan 8.300 nan 0.000 0.513 469 K N 1.082 121.598 120.400 0.193 0.000 2.044 469 K HA -0.222 4.090 4.320 -0.014 0.000 0.210 469 K C 1.342 178.008 176.600 0.109 0.000 1.049 469 K CA 2.261 58.605 56.287 0.095 0.000 0.927 469 K CB -0.014 32.506 32.500 0.034 0.000 0.713 469 K HN 0.158 nan 8.250 nan 0.000 0.443 470 D N -0.151 120.294 120.400 0.076 0.000 2.123 470 D HA -0.163 4.469 4.640 -0.014 0.000 0.196 470 D C 1.820 178.050 176.300 -0.116 0.000 0.992 470 D CA 1.264 55.182 54.000 -0.138 0.000 0.833 470 D CB -0.310 40.310 40.800 -0.301 0.000 0.954 470 D HN 0.257 nan 8.370 nan 0.000 0.455 471 F N -0.258 119.771 119.950 0.132 0.000 2.206 471 F HA -0.125 4.394 4.527 -0.014 0.000 0.298 471 F C 2.337 178.300 175.800 0.272 0.000 1.090 471 F CA 0.459 58.616 58.000 0.262 0.000 1.323 471 F CB -0.606 38.613 39.000 0.365 0.000 1.028 471 F HN -0.038 nan 8.300 nan 0.000 0.492 472 Y N 1.308 121.614 120.300 0.010 0.000 2.224 472 Y HA -0.186 4.356 4.550 -0.014 0.000 0.289 472 Y C 2.121 178.015 175.900 -0.011 0.000 1.146 472 Y CA 1.595 59.517 58.100 -0.297 0.000 1.182 472 Y CB -0.569 37.495 38.460 -0.660 0.000 0.983 472 Y HN 0.112 nan 8.280 nan 0.000 0.524 473 E N -0.351 119.804 120.200 -0.075 0.000 2.106 473 E HA -0.195 4.147 4.350 -0.014 0.000 0.192 473 E C 1.981 178.637 176.600 0.094 0.000 0.984 473 E CA 1.208 57.577 56.400 -0.052 0.000 0.806 473 E CB -0.251 29.461 29.700 0.020 0.000 0.750 473 E HN 0.440 nan 8.360 nan 0.000 0.458 474 L N 0.874 122.191 121.223 0.157 0.000 2.044 474 L HA -0.052 4.280 4.340 -0.014 0.000 0.205 474 L C 0.216 177.169 176.870 0.139 0.000 1.075 474 L CA 1.662 56.627 54.840 0.210 0.000 0.747 474 L CB 0.374 42.550 42.059 0.197 0.000 0.903 474 L HN -0.096 nan 8.230 nan 0.000 0.435 475 E N -0.205 120.072 120.200 0.129 0.000 3.386 475 E HA 0.180 4.522 4.350 -0.014 0.000 0.236 475 E C -2.000 174.544 176.600 -0.093 0.000 1.227 475 E CA -1.235 55.155 56.400 -0.017 0.000 0.970 475 E CB 0.792 30.478 29.700 -0.023 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 1.213 178.603 177.300 0.150 0.000 1.149 476 P CA 1.340 64.340 63.100 -0.166 0.000 0.817 476 P CB -0.048 31.429 31.700 -0.371 0.000 0.785 477 H N 0.097 119.267 119.070 0.167 0.000 2.489 477 H HA 0.033 4.581 4.556 -0.014 0.000 0.293 477 H C 1.741 177.155 175.328 0.143 0.000 1.066 477 H CA 0.911 57.045 56.048 0.143 0.000 1.305 477 H CB -0.625 29.193 29.762 0.093 0.000 1.386 477 H HN 0.140 nan 8.280 nan 0.000 0.551 478 K N 0.255 120.534 120.400 -0.202 0.000 2.217 478 K HA 0.010 4.322 4.320 -0.014 0.000 0.202 478 K C -0.258 176.198 176.600 -0.241 0.000 1.051 478 K CA 0.192 56.348 56.287 -0.219 0.000 0.952 478 K CB 0.102 32.353 32.500 -0.415 0.000 0.736 478 K HN 0.055 nan 8.250 nan 0.000 0.453 479 F N 1.422 121.395 119.950 0.039 0.000 2.411 479 F HA 0.240 4.759 4.527 -0.014 0.000 0.350 479 F C 0.261 176.064 175.800 0.006 0.000 1.114 479 F CA -0.297 57.732 58.000 0.048 0.000 1.135 479 F CB 1.288 40.379 39.000 0.151 0.000 1.120 479 F HN -0.077 nan 8.300 nan 0.000 0.495 480 Q N 1.807 121.643 119.800 0.060 0.000 2.528 480 Q HA 0.349 4.680 4.340 -0.014 0.000 0.289 480 Q C -1.183 174.782 176.000 -0.058 0.000 1.091 480 Q CA -1.253 54.536 55.803 -0.024 0.000 0.797 480 Q CB 3.131 31.799 28.738 -0.118 0.000 1.466 480 Q HN 0.601 nan 8.270 nan 0.000 0.436 481 N N 0.803 119.451 118.700 -0.087 0.000 2.321 481 N HA 0.262 4.994 4.740 -0.014 0.000 0.299 481 N C -1.420 173.995 175.510 -0.158 0.000 1.048 481 N CA -0.373 52.622 53.050 -0.092 0.000 0.836 481 N CB 0.965 39.419 38.487 -0.056 0.000 1.269 481 N HN 0.286 nan 8.380 nan 0.000 0.486 482 K N 2.782 123.089 120.400 -0.155 0.000 2.675 482 K HA 0.183 4.494 4.320 -0.014 0.000 0.224 482 K C -0.932 175.676 176.600 0.013 0.000 1.003 482 K CA -0.499 55.675 56.287 -0.190 0.000 1.034 482 K CB 1.260 33.420 32.500 -0.566 0.000 1.218 482 K HN 0.533 nan 8.250 nan 0.000 0.507 483 T N 2.147 116.727 114.554 0.043 0.000 2.902 483 T HA 0.042 4.383 4.350 -0.014 0.000 0.301 483 T C 0.795 175.620 174.700 0.209 0.000 1.012 483 T CA 0.367 62.541 62.100 0.125 0.000 1.151 483 T CB 0.235 69.180 68.868 0.129 0.000 0.946 483 T HN 0.360 nan 8.240 nan 0.000 0.542 484 N N 0.710 119.549 118.700 0.232 0.000 2.267 484 N HA 0.372 5.104 4.740 -0.014 0.000 0.226 484 N C 0.474 176.164 175.510 0.300 0.000 1.314 484 N CA -0.105 53.112 53.050 0.278 0.000 0.887 484 N CB 0.372 38.963 38.487 0.173 0.000 1.120 484 N HN 0.762 nan 8.380 nan 0.000 0.440 485 G N -0.573 108.412 108.800 0.308 0.000 2.682 485 G HA2 0.599 4.550 3.960 -0.014 0.000 0.290 485 G HA3 0.599 4.550 3.960 -0.014 0.000 0.290 485 G C -1.390 173.641 174.900 0.218 0.000 1.425 485 G CA -0.743 44.526 45.100 0.281 0.000 0.807 485 G HN 0.603 nan 8.290 nan 0.000 0.482 486 I N -2.315 118.368 120.570 0.189 0.000 2.785 486 I HA 0.756 4.917 4.170 -0.014 0.000 0.302 486 I C -0.181 176.094 176.117 0.263 0.000 1.069 486 I CA -0.948 60.459 61.300 0.177 0.000 1.045 486 I CB 2.485 40.472 38.000 -0.022 0.000 1.236 486 I HN 0.481 nan 8.210 nan 0.000 0.429 487 T N 4.330 119.099 114.554 0.358 0.000 2.794 487 T HA 0.358 4.700 4.350 -0.014 0.000 0.296 487 T C -1.444 173.381 174.700 0.208 0.000 0.949 487 T CA -1.597 60.638 62.100 0.225 0.000 1.101 487 T CB 0.747 69.692 68.868 0.128 0.000 0.905 487 T HN 0.628 nan 8.240 nan 0.000 0.516 488 P HA 0.048 nan 4.420 nan 0.000 0.233 488 P C 1.092 178.361 177.300 -0.051 0.000 1.167 488 P CA 0.335 63.474 63.100 0.065 0.000 0.770 488 P CB 0.349 32.070 31.700 0.034 0.000 0.837 489 R N 0.428 120.851 120.500 -0.128 0.000 2.070 489 R HA 0.007 4.338 4.340 -0.014 0.000 0.227 489 R C 2.672 178.853 176.300 -0.198 0.000 1.147 489 R CA 1.534 57.516 56.100 -0.198 0.000 0.924 489 R CB -1.257 28.927 30.300 -0.194 0.000 0.827 489 R HN 0.031 nan 8.270 nan 0.000 0.431 490 R N -0.759 119.567 120.500 -0.290 0.000 2.081 490 R HA -0.141 4.191 4.340 -0.014 0.000 0.235 490 R C 1.072 177.026 176.300 -0.576 0.000 1.131 490 R CA 1.811 57.579 56.100 -0.553 0.000 0.960 490 R CB -0.183 29.586 30.300 -0.884 0.000 0.856 490 R HN 0.314 nan 8.270 nan 0.000 0.436 491 W N -0.536 120.721 121.300 -0.072 0.000 3.353 491 W HA 0.175 4.826 4.660 -0.015 0.000 0.304 491 W C 0.930 177.417 176.519 -0.052 0.000 1.273 491 W CA -0.743 56.559 57.345 -0.072 0.000 1.773 491 W CB 0.453 29.875 29.460 -0.064 0.000 1.095 491 W HN 0.217 nan 8.180 nan 0.000 0.676 492 L N -2.163 119.116 121.223 0.093 0.000 2.681 492 L HA 0.189 4.520 4.340 -0.014 0.000 0.163 492 L C 1.812 178.695 176.870 0.021 0.000 1.188 492 L CA 0.772 55.658 54.840 0.078 0.000 0.944 492 L CB -0.858 41.274 42.059 0.121 0.000 1.835 492 L HN -0.248 nan 8.230 nan 0.000 0.510 493 V N 1.156 121.061 119.914 -0.017 0.000 2.255 493 V HA -0.294 3.818 4.120 -0.014 0.000 0.247 493 V C 2.454 178.517 176.094 -0.051 0.000 1.051 493 V CA 2.548 64.827 62.300 -0.035 0.000 1.018 493 V CB -0.756 31.016 31.823 -0.085 0.000 0.641 493 V HN 0.520 nan 8.190 nan 0.000 0.445 494 L N 0.442 121.606 121.223 -0.099 0.000 2.027 494 L HA -0.183 4.149 4.340 -0.014 0.000 0.206 494 L C 2.453 179.256 176.870 -0.110 0.000 1.074 494 L CA 2.403 57.169 54.840 -0.124 0.000 0.745 494 L CB -0.245 41.692 42.059 -0.203 0.000 0.898 494 L HN 0.668 nan 8.230 nan 0.000 0.433 495 C N -1.935 117.296 119.300 -0.116 0.000 2.634 495 C HA 0.229 4.681 4.460 -0.014 0.000 0.268 495 C C 1.173 176.143 174.990 -0.033 0.000 1.322 495 C CA -0.329 58.638 59.018 -0.085 0.000 1.737 495 C CB -0.951 26.737 27.740 -0.087 0.000 1.976 495 C HN 0.586 nan 8.230 nan 0.000 0.547 496 N N 1.244 119.935 118.700 -0.014 0.000 2.733 496 N HA 0.291 5.023 4.740 -0.014 0.000 0.271 496 N C -1.776 173.742 175.510 0.012 0.000 1.720 496 N CA -1.633 51.420 53.050 0.004 0.000 0.803 496 N CB 0.789 39.287 38.487 0.019 0.000 1.208 496 N HN 0.238 nan 8.380 nan 0.000 0.498 497 P HA -0.043 nan 4.420 nan 0.000 0.217 497 P C 1.417 178.729 177.300 0.020 0.000 1.150 497 P CA 0.931 64.038 63.100 0.011 0.000 0.832 497 P CB 0.203 31.903 31.700 -0.001 0.000 0.787 498 G N 0.557 109.364 108.800 0.011 0.000 2.440 498 G HA2 -0.252 3.699 3.960 -0.014 0.000 0.218 498 G HA3 -0.252 3.699 3.960 -0.014 0.000 0.218 498 G C 1.523 176.428 174.900 0.009 0.000 1.154 498 G CA 0.704 45.808 45.100 0.007 0.000 0.767 498 G HN 0.252 nan 8.290 nan 0.000 0.552 499 L N 1.145 122.376 121.223 0.013 0.000 2.072 499 L HA 0.326 4.657 4.340 -0.014 0.000 0.205 499 L C 3.055 179.955 176.870 0.050 0.000 1.079 499 L CA 1.877 56.725 54.840 0.013 0.000 0.752 499 L CB -0.737 41.329 42.059 0.011 0.000 0.906 499 L HN 0.220 nan 8.230 nan 0.000 0.436 500 A N -0.678 122.192 122.820 0.084 0.000 1.940 500 A HA -0.268 4.043 4.320 -0.014 0.000 0.219 500 A C 2.242 179.923 177.584 0.162 0.000 1.176 500 A CA 1.909 54.048 52.037 0.170 0.000 0.631 500 A CB -0.638 18.450 19.000 0.147 0.000 0.814 500 A HN 0.555 nan 8.150 nan 0.000 0.446 501 E N 0.594 120.848 120.200 0.091 0.000 2.046 501 E HA -0.139 4.203 4.350 -0.014 0.000 0.190 501 E C 1.868 178.506 176.600 0.063 0.000 0.982 501 E CA 1.475 57.919 56.400 0.072 0.000 0.800 501 E CB -0.504 29.220 29.700 0.041 0.000 0.756 501 E HN 0.729 nan 8.360 nan 0.000 0.449 502 I N -1.469 119.133 120.570 0.053 0.000 2.361 502 I HA -0.163 3.998 4.170 -0.014 0.000 0.251 502 I C 2.139 178.322 176.117 0.110 0.000 1.133 502 I CA 1.218 62.562 61.300 0.074 0.000 1.413 502 I CB -0.376 37.650 38.000 0.044 0.000 1.073 502 I HN 0.033 nan 8.210 nan 0.000 0.424 503 I N 2.034 122.647 120.570 0.071 0.000 2.179 503 I HA -0.223 3.938 4.170 -0.014 0.000 0.242 503 I C 3.009 179.071 176.117 -0.091 0.000 1.088 503 I CA 1.448 62.709 61.300 -0.067 0.000 1.357 503 I CB -0.517 37.324 38.000 -0.266 0.000 1.051 503 I HN 0.324 nan 8.210 nan 0.000 0.409 504 A N 0.313 123.173 122.820 0.068 0.000 1.972 504 A HA -0.209 4.102 4.320 -0.014 0.000 0.219 504 A C 2.173 179.786 177.584 0.049 0.000 1.169 504 A CA 1.506 53.633 52.037 0.148 0.000 0.635 504 A CB -0.550 18.568 19.000 0.196 0.000 0.810 504 A HN 0.448 nan 8.150 nan 0.000 0.446 505 E N -0.544 119.665 120.200 0.016 0.000 2.085 505 E HA -0.210 4.131 4.350 -0.014 0.000 0.194 505 E C 2.273 178.840 176.600 -0.056 0.000 0.994 505 E CA 1.196 57.592 56.400 -0.006 0.000 0.801 505 E CB -0.109 29.594 29.700 0.004 0.000 0.743 505 E HN 0.417 nan 8.360 nan 0.000 0.453 506 R N 0.313 120.718 120.500 -0.158 0.000 2.066 506 R HA 0.020 4.352 4.340 -0.014 0.000 0.224 506 R C 2.394 178.598 176.300 -0.161 0.000 1.122 506 R CA 1.033 56.957 56.100 -0.294 0.000 0.974 506 R CB -0.469 29.315 30.300 -0.860 0.000 0.871 506 R HN 0.364 nan 8.270 nan 0.000 0.435 507 I N -3.311 117.177 120.570 -0.137 0.000 4.154 507 I HA 0.438 4.600 4.170 -0.014 0.000 0.334 507 I C 0.488 176.637 176.117 0.052 0.000 1.371 507 I CA 0.150 61.425 61.300 -0.042 0.000 1.110 507 I CB 0.769 38.720 38.000 -0.081 0.000 1.085 507 I HN 0.184 nan 8.210 nan 0.000 0.398 508 G N 2.042 110.886 108.800 0.073 0.000 2.698 508 G HA2 -0.222 3.729 3.960 -0.014 0.000 0.225 508 G HA3 -0.222 3.729 3.960 -0.014 0.000 0.225 508 G C -0.032 174.998 174.900 0.217 0.000 1.345 508 G CA 0.200 45.367 45.100 0.112 0.000 0.871 508 G HN 0.438 nan 8.290 nan 0.000 0.540 509 E N -0.140 120.138 120.200 0.129 0.000 2.481 509 E HA 0.111 4.452 4.350 -0.014 0.000 0.198 509 E C 1.922 178.468 176.600 -0.089 0.000 1.027 509 E CA 0.258 56.675 56.400 0.027 0.000 0.900 509 E CB 0.325 30.034 29.700 0.013 0.000 0.993 509 E HN 0.631 nan 8.360 nan 0.000 0.482 510 E N 0.326 120.547 120.200 0.035 0.000 2.265 510 E HA -0.190 4.152 4.350 -0.014 0.000 0.196 510 E C 1.567 178.162 176.600 -0.008 0.000 0.996 510 E CA 0.876 57.289 56.400 0.021 0.000 0.832 510 E CB -0.115 29.621 29.700 0.060 0.000 0.756 510 E HN 0.484 nan 8.360 nan 0.000 0.491 511 Y N -0.729 119.573 120.300 0.004 0.000 2.421 511 Y HA -0.046 4.496 4.550 -0.013 0.000 0.292 511 Y C 1.765 177.642 175.900 -0.039 0.000 1.136 511 Y CA 0.470 58.564 58.100 -0.010 0.000 1.255 511 Y CB -0.535 37.921 38.460 -0.007 0.000 0.991 511 Y HN -0.072 nan 8.280 nan 0.000 0.552 512 I N 0.927 121.040 120.570 -0.761 0.000 2.361 512 I HA -0.233 3.928 4.170 -0.014 0.000 0.251 512 I C 1.691 177.559 176.117 -0.414 0.000 1.133 512 I CA 1.807 62.700 61.300 -0.679 0.000 1.413 512 I CB -0.362 37.139 38.000 -0.832 0.000 1.073 512 I HN 0.441 nan 8.210 nan 0.000 0.424 513 S N -1.901 113.659 115.700 -0.233 0.000 2.602 513 S HA 0.184 4.646 4.470 -0.014 0.000 0.240 513 S C 0.126 174.712 174.600 -0.023 0.000 0.992 513 S CA -0.458 57.688 58.200 -0.091 0.000 0.971 513 S CB 0.275 63.498 63.200 0.038 0.000 0.855 513 S HN 0.290 nan 8.310 nan 0.000 0.481 514 D N 0.635 121.028 120.400 -0.012 0.000 2.934 514 D HA 0.221 4.852 4.640 -0.014 0.000 0.249 514 D C 0.223 176.564 176.300 0.069 0.000 1.293 514 D CA -0.358 53.659 54.000 0.028 0.000 0.812 514 D CB 0.361 41.182 40.800 0.035 0.000 1.439 514 D HN 0.097 nan 8.370 nan 0.000 0.555 515 L N 1.247 122.511 121.223 0.068 0.000 2.362 515 L HA 0.037 4.369 4.340 -0.014 0.000 0.219 515 L C 1.454 178.375 176.870 0.084 0.000 1.134 515 L CA 1.418 56.327 54.840 0.115 0.000 0.807 515 L CB -0.010 42.110 42.059 0.103 0.000 0.927 515 L HN 0.268 nan 8.230 nan 0.000 0.447 516 D N -0.682 119.745 120.400 0.045 0.000 2.265 516 D HA -0.213 4.419 4.640 -0.014 0.000 0.208 516 D C 1.860 178.179 176.300 0.033 0.000 0.977 516 D CA 0.833 54.846 54.000 0.020 0.000 0.871 516 D CB 0.081 40.881 40.800 -0.000 0.000 0.925 516 D HN 0.552 nan 8.370 nan 0.000 0.485 517 Q N 0.032 119.869 119.800 0.062 0.000 2.364 517 Q HA -0.055 4.277 4.340 -0.014 0.000 0.209 517 Q C 2.294 178.310 176.000 0.026 0.000 0.977 517 Q CA 0.253 56.092 55.803 0.061 0.000 0.885 517 Q CB 0.010 28.814 28.738 0.109 0.000 0.941 517 Q HN 0.396 nan 8.270 nan 0.000 0.464 518 L N 0.165 121.396 121.223 0.015 0.000 2.349 518 L HA -0.196 4.135 4.340 -0.014 0.000 0.220 518 L C 2.288 179.148 176.870 -0.017 0.000 1.130 518 L CA 0.867 55.679 54.840 -0.046 0.000 0.791 518 L CB -0.367 41.677 42.059 -0.026 0.000 0.918 518 L HN 0.214 nan 8.230 nan 0.000 0.444 519 R N 0.437 120.940 120.500 0.004 0.000 2.127 519 R HA -0.188 4.143 4.340 -0.014 0.000 0.238 519 R C 2.119 178.425 176.300 0.009 0.000 1.134 519 R CA 1.188 57.293 56.100 0.009 0.000 0.975 519 R CB -0.246 30.056 30.300 0.005 0.000 0.865 519 R HN 0.395 nan 8.270 nan 0.000 0.447 520 K N 0.623 121.028 120.400 0.008 0.000 2.286 520 K HA -0.138 4.174 4.320 -0.014 0.000 0.203 520 K C 1.878 178.524 176.600 0.077 0.000 1.045 520 K CA 0.977 57.282 56.287 0.030 0.000 0.935 520 K CB -0.144 32.376 32.500 0.034 0.000 0.737 520 K HN 0.224 nan 8.250 nan 0.000 0.460 521 L N 0.391 121.630 121.223 0.027 0.000 2.376 521 L HA -0.138 4.193 4.340 -0.014 0.000 0.219 521 L C 1.848 178.779 176.870 0.101 0.000 1.133 521 L CA 0.080 54.938 54.840 0.030 0.000 0.816 521 L CB -0.260 41.771 42.059 -0.047 0.000 0.933 521 L HN 0.134 nan 8.230 nan 0.000 0.449 522 L N 0.144 121.401 121.223 0.057 0.000 2.127 522 L HA -0.193 4.138 4.340 -0.014 0.000 0.211 522 L C 2.686 179.553 176.870 -0.006 0.000 1.089 522 L CA 1.956 56.817 54.840 0.035 0.000 0.757 522 L CB -1.000 41.067 42.059 0.012 0.000 0.899 522 L HN 0.363 nan 8.230 nan 0.000 0.434 523 S N -2.665 112.991 115.700 -0.074 0.000 2.660 523 S HA -0.076 4.386 4.470 -0.014 0.000 0.223 523 S C 1.115 175.447 174.600 -0.445 0.000 0.963 523 S CA 0.251 58.301 58.200 -0.250 0.000 0.932 523 S CB -0.567 62.435 63.200 -0.330 0.000 0.775 523 S HN 0.480 nan 8.310 nan 0.000 0.531 524 Y N -0.747 119.482 120.300 -0.118 0.000 2.557 524 Y HA 0.432 4.980 4.550 -0.004 0.000 0.247 524 Y C 1.839 177.775 175.900 0.060 0.000 1.164 524 Y CA -0.551 57.476 58.100 -0.122 0.000 1.218 524 Y CB 0.291 38.459 38.460 -0.487 0.000 1.210 524 Y HN 0.259 nan 8.280 nan 0.000 0.529 525 V N 0.426 120.431 119.914 0.153 0.000 2.759 525 V HA -0.189 3.923 4.120 -0.014 0.000 0.256 525 V C 0.927 177.090 176.094 0.114 0.000 1.080 525 V CA 2.145 64.535 62.300 0.151 0.000 1.101 525 V CB 0.001 31.876 31.823 0.086 0.000 0.698 525 V HN 0.351 nan 8.190 nan 0.000 0.477 526 D N -0.668 119.778 120.400 0.076 0.000 2.395 526 D HA 0.107 4.739 4.640 -0.014 0.000 0.213 526 D C 0.333 176.675 176.300 0.071 0.000 1.110 526 D CA -0.000 54.033 54.000 0.055 0.000 0.835 526 D CB 0.168 40.978 40.800 0.017 0.000 0.965 526 D HN 0.430 nan 8.370 nan 0.000 0.505 527 D N 1.504 121.981 120.400 0.128 0.000 2.336 527 D HA -0.009 4.622 4.640 -0.014 0.000 0.249 527 D C 1.114 177.518 176.300 0.174 0.000 1.213 527 D CA -0.053 54.043 54.000 0.160 0.000 0.870 527 D CB 1.613 42.573 40.800 0.267 0.000 1.076 527 D HN -0.182 nan 8.370 nan 0.000 0.483 528 E N 3.115 123.381 120.200 0.111 0.000 2.110 528 E HA -0.159 4.183 4.350 -0.014 0.000 0.193 528 E C 1.750 178.404 176.600 0.090 0.000 0.988 528 E CA 1.397 57.847 56.400 0.083 0.000 0.804 528 E CB 0.048 29.780 29.700 0.053 0.000 0.745 528 E HN 0.597 nan 8.360 nan 0.000 0.458 529 A N -0.286 122.604 122.820 0.117 0.000 1.873 529 A HA -0.143 4.168 4.320 -0.014 0.000 0.215 529 A C 2.202 179.873 177.584 0.145 0.000 1.186 529 A CA 1.323 53.427 52.037 0.113 0.000 0.616 529 A CB -0.964 18.107 19.000 0.119 0.000 0.823 529 A HN 0.446 nan 8.150 nan 0.000 0.442 530 F N 0.394 120.368 119.950 0.039 0.000 2.134 530 F HA -0.154 4.365 4.527 -0.013 0.000 0.299 530 F C 2.041 177.850 175.800 0.015 0.000 1.097 530 F CA 1.609 59.618 58.000 0.015 0.000 1.264 530 F CB -0.116 38.909 39.000 0.041 0.000 1.001 530 F HN 0.168 nan 8.300 nan 0.000 0.479 531 I N 0.249 120.845 120.570 0.044 0.000 2.151 531 I HA -0.366 3.795 4.170 -0.014 0.000 0.243 531 I C 2.605 178.664 176.117 -0.098 0.000 1.080 531 I CA 1.794 63.066 61.300 -0.047 0.000 1.339 531 I CB -0.525 37.495 38.000 0.033 0.000 1.039 531 I HN 0.106 nan 8.210 nan 0.000 0.409 532 R N 0.850 121.319 120.500 -0.051 0.000 2.096 532 R HA -0.194 4.137 4.340 -0.014 0.000 0.235 532 R C 1.818 178.064 176.300 -0.090 0.000 1.127 532 R CA 1.941 58.009 56.100 -0.053 0.000 0.968 532 R CB -0.146 30.143 30.300 -0.018 0.000 0.861 532 R HN 0.295 nan 8.270 nan 0.000 0.440 533 D N -0.179 120.145 120.400 -0.128 0.000 2.117 533 D HA -0.110 4.522 4.640 -0.014 0.000 0.198 533 D C 1.982 178.144 176.300 -0.230 0.000 0.982 533 D CA 1.223 55.130 54.000 -0.154 0.000 0.828 533 D CB -0.210 40.514 40.800 -0.127 0.000 0.967 533 D HN 0.079 nan 8.370 nan 0.000 0.464 534 V N 1.586 121.263 119.914 -0.396 0.000 2.255 534 V HA -0.270 3.841 4.120 -0.014 0.000 0.247 534 V C 2.530 178.526 176.094 -0.164 0.000 1.051 534 V CA 2.029 64.118 62.300 -0.350 0.000 1.018 534 V CB -0.875 30.669 31.823 -0.465 0.000 0.641 534 V HN 0.199 nan 8.190 nan 0.000 0.445 535 A N -0.645 122.099 122.820 -0.125 0.000 1.972 535 A HA -0.238 4.074 4.320 -0.014 0.000 0.219 535 A C 2.355 179.898 177.584 -0.068 0.000 1.169 535 A CA 2.034 54.031 52.037 -0.067 0.000 0.635 535 A CB -0.448 18.518 19.000 -0.057 0.000 0.810 535 A HN 0.546 nan 8.150 nan 0.000 0.446 536 K N -0.233 120.121 120.400 -0.077 0.000 2.062 536 K HA -0.055 4.256 4.320 -0.014 0.000 0.205 536 K C 1.794 178.362 176.600 -0.052 0.000 1.051 536 K CA 1.425 57.676 56.287 -0.059 0.000 0.941 536 K CB -0.226 32.242 32.500 -0.054 0.000 0.719 536 K HN 0.214 nan 8.250 nan 0.000 0.440 537 V N 1.854 121.730 119.914 -0.062 0.000 2.343 537 V HA -0.245 3.866 4.120 -0.014 0.000 0.247 537 V C 2.382 178.455 176.094 -0.034 0.000 1.051 537 V CA 1.951 64.224 62.300 -0.046 0.000 1.036 537 V CB -0.450 31.340 31.823 -0.055 0.000 0.654 537 V HN 0.345 nan 8.190 nan 0.000 0.451 538 K N 0.412 120.789 120.400 -0.038 0.000 2.026 538 K HA -0.225 4.086 4.320 -0.014 0.000 0.208 538 K C 2.186 178.752 176.600 -0.058 0.000 1.048 538 K CA 1.813 58.082 56.287 -0.029 0.000 0.929 538 K CB -0.556 31.942 32.500 -0.002 0.000 0.713 538 K HN 0.367 nan 8.250 nan 0.000 0.439 539 Q N 1.071 120.832 119.800 -0.065 0.000 2.096 539 Q HA -0.146 4.186 4.340 -0.014 0.000 0.204 539 Q C 1.739 177.710 176.000 -0.048 0.000 0.982 539 Q CA 2.114 57.870 55.803 -0.078 0.000 0.850 539 Q CB -0.163 28.535 28.738 -0.066 0.000 0.901 539 Q HN 0.513 nan 8.270 nan 0.000 0.422 540 E N -0.522 119.663 120.200 -0.026 0.000 2.077 540 E HA -0.179 4.163 4.350 -0.014 0.000 0.193 540 E C 1.803 178.416 176.600 0.021 0.000 0.989 540 E CA 1.054 57.453 56.400 -0.001 0.000 0.800 540 E CB -0.118 29.581 29.700 -0.003 0.000 0.746 540 E HN 0.402 nan 8.360 nan 0.000 0.452 541 N N 0.959 119.668 118.700 0.015 0.000 2.120 541 N HA -0.144 4.587 4.740 -0.014 0.000 0.188 541 N C 1.524 177.092 175.510 0.098 0.000 1.024 541 N CA 1.102 54.180 53.050 0.047 0.000 0.852 541 N CB -0.107 38.393 38.487 0.022 0.000 1.003 541 N HN 0.130 nan 8.380 nan 0.000 0.424 542 K N 0.455 120.866 120.400 0.018 0.000 2.097 542 K HA 0.027 4.339 4.320 -0.014 0.000 0.205 542 K C 2.091 178.781 176.600 0.149 0.000 1.050 542 K CA 0.615 56.897 56.287 -0.009 0.000 0.938 542 K CB -0.124 32.114 32.500 -0.436 0.000 0.718 542 K HN 0.118 nan 8.250 nan 0.000 0.442 543 L N 1.106 122.377 121.223 0.079 0.000 2.056 543 L HA -0.178 4.153 4.340 -0.014 0.000 0.207 543 L C 2.618 179.569 176.870 0.135 0.000 1.078 543 L CA 1.251 56.150 54.840 0.098 0.000 0.749 543 L CB -0.312 41.777 42.059 0.050 0.000 0.901 543 L HN 0.159 nan 8.230 nan 0.000 0.433 544 K N -0.244 120.240 120.400 0.139 0.000 2.057 544 K HA -0.232 4.080 4.320 -0.014 0.000 0.207 544 K C 2.194 178.931 176.600 0.228 0.000 1.049 544 K CA 1.614 57.991 56.287 0.150 0.000 0.931 544 K CB -0.125 32.448 32.500 0.122 0.000 0.714 544 K HN 0.091 nan 8.250 nan 0.000 0.440 545 F N 1.077 121.119 119.950 0.153 0.000 2.206 545 F HA -0.040 4.479 4.527 -0.014 0.000 0.298 545 F C 2.017 177.970 175.800 0.255 0.000 1.090 545 F CA 1.171 59.298 58.000 0.212 0.000 1.323 545 F CB -0.306 38.829 39.000 0.224 0.000 1.028 545 F HN 0.054 nan 8.300 nan 0.000 0.492 546 A N 0.206 123.197 122.820 0.286 0.000 1.933 546 A HA -0.073 4.239 4.320 -0.014 0.000 0.218 546 A C 2.380 179.967 177.584 0.006 0.000 1.175 546 A CA 1.722 53.850 52.037 0.151 0.000 0.628 546 A CB -1.443 17.706 19.000 0.248 0.000 0.814 546 A HN 0.448 nan 8.150 nan 0.000 0.444 547 A N -1.548 121.296 122.820 0.040 0.000 1.897 547 A HA -0.063 4.249 4.320 -0.014 0.000 0.215 547 A C 2.113 179.678 177.584 -0.031 0.000 1.181 547 A CA 1.471 53.508 52.037 -0.001 0.000 0.620 547 A CB -0.826 18.197 19.000 0.039 0.000 0.821 547 A HN 0.740 nan 8.150 nan 0.000 0.443 548 Y N 0.646 120.865 120.300 -0.136 0.000 2.165 548 Y HA -0.218 4.324 4.550 -0.014 0.000 0.286 548 Y C 1.932 177.714 175.900 -0.197 0.000 1.155 548 Y CA 1.946 59.945 58.100 -0.168 0.000 1.164 548 Y CB -0.224 38.121 38.460 -0.193 0.000 0.978 548 Y HN 0.223 nan 8.280 nan 0.000 0.513 549 L N -0.012 121.025 121.223 -0.309 0.000 2.046 549 L HA -0.214 4.118 4.340 -0.014 0.000 0.208 549 L C 2.413 179.153 176.870 -0.216 0.000 1.077 549 L CA 1.768 56.441 54.840 -0.278 0.000 0.747 549 L CB -0.549 41.349 42.059 -0.268 0.000 0.896 549 L HN 0.330 nan 8.230 nan 0.000 0.432 550 E N -0.195 119.859 120.200 -0.244 0.000 2.047 550 E HA -0.195 4.146 4.350 -0.014 0.000 0.191 550 E C 2.365 178.838 176.600 -0.211 0.000 0.987 550 E CA 0.938 57.173 56.400 -0.274 0.000 0.799 550 E CB 0.001 29.482 29.700 -0.365 0.000 0.752 550 E HN 0.393 nan 8.360 nan 0.000 0.449 551 R N 0.520 120.890 120.500 -0.216 0.000 2.073 551 R HA -0.157 4.175 4.340 -0.014 0.000 0.234 551 R C 2.175 178.304 176.300 -0.286 0.000 1.134 551 R CA 1.421 57.400 56.100 -0.201 0.000 0.952 551 R CB -0.092 30.111 30.300 -0.161 0.000 0.850 551 R HN 0.027 nan 8.270 nan 0.000 0.433 552 E N -1.338 118.574 120.200 -0.479 0.000 2.340 552 E HA -0.026 4.316 4.350 -0.014 0.000 0.194 552 E C 0.188 176.286 176.600 -0.836 0.000 0.996 552 E CA 0.734 56.707 56.400 -0.713 0.000 0.869 552 E CB 0.462 29.503 29.700 -1.099 0.000 0.835 552 E HN 0.316 nan 8.360 nan 0.000 0.493 553 Y N -0.497 119.648 120.300 -0.259 0.000 2.610 553 Y HA 0.288 4.829 4.550 -0.014 0.000 0.254 553 Y C -0.167 175.675 175.900 -0.096 0.000 1.110 553 Y CA -0.585 57.426 58.100 -0.149 0.000 1.238 553 Y CB 0.928 39.302 38.460 -0.142 0.000 1.322 553 Y HN -0.249 nan 8.280 nan 0.000 0.547 554 K N 0.384 120.778 120.400 -0.011 0.000 3.035 554 K HA -0.137 4.175 4.320 -0.014 0.000 0.262 554 K C -0.523 176.120 176.600 0.071 0.000 1.024 554 K CA 0.858 57.155 56.287 0.015 0.000 0.748 554 K CB -2.386 30.143 32.500 0.049 0.000 1.247 554 K HN 0.261 nan 8.250 nan 0.000 0.482 555 V N -2.028 117.888 119.914 0.004 0.000 2.495 555 V HA 0.541 4.652 4.120 -0.014 0.000 0.298 555 V C 0.081 176.142 176.094 -0.055 0.000 1.031 555 V CA -0.969 61.355 62.300 0.039 0.000 0.871 555 V CB 1.805 33.637 31.823 0.014 0.000 0.988 555 V HN 0.239 nan 8.190 nan 0.000 0.432 556 H N 5.095 124.158 119.070 -0.011 0.000 2.519 556 H HA 0.779 5.327 4.556 -0.014 0.000 0.316 556 H C 0.045 175.369 175.328 -0.007 0.000 1.065 556 H CA -0.138 55.907 56.048 -0.004 0.000 1.264 556 H CB 1.429 31.193 29.762 0.004 0.000 1.413 556 H HN 0.948 nan 8.280 nan 0.000 0.465 557 I N -0.337 120.277 120.570 0.074 0.000 2.892 557 I HA 0.500 4.661 4.170 -0.014 0.000 0.306 557 I C -0.381 175.811 176.117 0.125 0.000 1.078 557 I CA -1.383 59.958 61.300 0.069 0.000 1.032 557 I CB 2.221 40.224 38.000 0.006 0.000 1.229 557 I HN 0.311 nan 8.210 nan 0.000 0.435 558 N N 4.375 123.157 118.700 0.136 0.000 2.406 558 N HA 0.426 5.157 4.740 -0.014 0.000 0.251 558 N C -2.059 173.600 175.510 0.249 0.000 1.069 558 N CA -2.351 50.791 53.050 0.153 0.000 0.947 558 N CB 1.114 39.664 38.487 0.104 0.000 1.111 558 N HN 0.378 nan 8.380 nan 0.000 0.497 559 P HA 0.084 nan 4.420 nan 0.000 0.242 559 P C -0.189 177.112 177.300 0.002 0.000 1.197 559 P CA 0.808 63.995 63.100 0.146 0.000 0.765 559 P CB 0.187 31.941 31.700 0.090 0.000 0.936 560 N N -0.973 117.762 118.700 0.058 0.000 2.373 560 N HA -0.008 4.724 4.740 -0.014 0.000 0.181 560 N C 0.494 176.052 175.510 0.080 0.000 1.082 560 N CA -0.041 53.033 53.050 0.039 0.000 0.885 560 N CB -0.002 38.513 38.487 0.047 0.000 0.977 560 N HN 0.135 nan 8.380 nan 0.000 0.462 561 S N 0.285 116.050 115.700 0.108 0.000 2.614 561 S HA 0.177 4.638 4.470 -0.014 0.000 0.265 561 S C 0.061 174.662 174.600 0.002 0.000 1.303 561 S CA -0.905 57.343 58.200 0.079 0.000 1.000 561 S CB 1.013 64.276 63.200 0.105 0.000 0.935 561 S HN 0.187 nan 8.310 nan 0.000 0.551 562 L N 1.955 123.007 121.223 -0.284 0.000 2.361 562 L HA 0.363 4.695 4.340 -0.014 0.000 0.278 562 L C -0.851 176.007 176.870 -0.020 0.000 1.113 562 L CA -0.547 53.936 54.840 -0.595 0.000 0.849 562 L CB -0.202 41.204 42.059 -1.088 0.000 1.155 562 L HN 0.706 nan 8.230 nan 0.000 0.452 563 F N 4.258 124.081 119.950 -0.212 0.000 2.439 563 F HA 0.083 4.602 4.527 -0.013 0.000 0.356 563 F C 0.459 176.198 175.800 -0.102 0.000 1.161 563 F CA -0.763 57.178 58.000 -0.099 0.000 1.151 563 F CB 0.451 39.436 39.000 -0.025 0.000 1.222 563 F HN 0.528 nan 8.300 nan 0.000 0.558 564 D N 4.881 125.282 120.400 0.001 0.000 2.396 564 D HA 0.222 4.854 4.640 -0.014 0.000 0.225 564 D C -1.061 175.184 176.300 -0.090 0.000 1.121 564 D CA -0.074 53.888 54.000 -0.062 0.000 0.853 564 D CB 1.366 42.112 40.800 -0.089 0.000 1.043 564 D HN 0.255 nan 8.370 nan 0.000 0.500 565 V N 3.376 123.224 119.914 -0.110 0.000 2.588 565 V HA 0.529 4.640 4.120 -0.014 0.000 0.304 565 V C -1.359 174.590 176.094 -0.242 0.000 1.042 565 V CA -0.667 61.549 62.300 -0.140 0.000 0.877 565 V CB 1.802 33.597 31.823 -0.046 0.000 0.996 565 V HN 0.530 nan 8.190 nan 0.000 0.425 566 Q N 4.903 124.577 119.800 -0.210 0.000 2.401 566 Q HA 0.665 4.997 4.340 -0.014 0.000 0.260 566 Q C -1.377 174.464 176.000 -0.264 0.000 1.034 566 Q CA -0.639 55.025 55.803 -0.232 0.000 0.737 566 Q CB 1.801 30.431 28.738 -0.180 0.000 1.227 566 Q HN 1.077 nan 8.270 nan 0.000 0.488 567 V N 1.660 121.409 119.914 -0.275 0.000 2.444 567 V HA 0.866 4.978 4.120 -0.014 0.000 0.294 567 V C -0.957 174.886 176.094 -0.418 0.000 1.022 567 V CA -0.569 61.394 62.300 -0.562 0.000 0.850 567 V CB 1.167 32.420 31.823 -0.949 0.000 0.992 567 V HN 0.837 nan 8.190 nan 0.000 0.426 568 K N 2.517 122.706 120.400 -0.352 0.000 3.040 568 K HA 0.430 4.741 4.320 -0.014 0.000 0.300 568 K C -1.241 175.373 176.600 0.024 0.000 1.092 568 K CA -1.205 55.061 56.287 -0.036 0.000 0.831 568 K CB 0.835 33.304 32.500 -0.052 0.000 1.469 568 K HN 0.435 nan 8.250 nan 0.000 0.365 569 R N 1.063 121.637 120.500 0.124 0.000 2.640 569 R HA 0.138 4.470 4.340 -0.014 0.000 0.270 569 R C 0.341 176.667 176.300 0.042 0.000 1.024 569 R CA -0.280 55.898 56.100 0.129 0.000 1.085 569 R CB -0.165 30.261 30.300 0.210 0.000 0.963 569 R HN 0.480 nan 8.270 nan 0.000 0.426 570 I N 4.897 125.453 120.570 -0.022 0.000 2.505 570 I HA 0.054 4.216 4.170 -0.014 0.000 0.287 570 I C 0.818 176.775 176.117 -0.267 0.000 1.104 570 I CA 0.740 61.969 61.300 -0.118 0.000 1.387 570 I CB -0.376 37.555 38.000 -0.114 0.000 1.404 570 I HN 0.271 nan 8.210 nan 0.000 0.528 571 H N 4.374 123.334 119.070 -0.184 0.000 2.961 571 H HA 0.240 4.787 4.556 -0.014 0.000 0.371 571 H C 0.459 175.664 175.328 -0.205 0.000 1.190 571 H CA -0.495 55.472 56.048 -0.134 0.000 1.138 571 H CB 2.099 31.692 29.762 -0.281 0.000 1.816 571 H HN 0.509 nan 8.280 nan 0.000 0.551 572 E N 1.071 121.336 120.200 0.107 0.000 2.110 572 E HA -0.198 4.144 4.350 -0.014 0.000 0.193 572 E C 1.459 177.806 176.600 -0.422 0.000 0.988 572 E CA 1.450 57.842 56.400 -0.013 0.000 0.804 572 E CB 0.038 29.920 29.700 0.303 0.000 0.745 572 E HN 0.544 nan 8.360 nan 0.000 0.458 573 Y N 0.681 120.466 120.300 -0.859 0.000 2.373 573 Y HA 0.010 4.551 4.550 -0.014 0.000 0.293 573 Y C 1.505 177.128 175.900 -0.462 0.000 1.129 573 Y CA 0.816 58.223 58.100 -1.154 0.000 1.226 573 Y CB -0.081 37.722 38.460 -1.095 0.000 1.000 573 Y HN -0.217 nan 8.280 nan 0.000 0.549 574 K N 0.744 120.664 120.400 -0.800 0.000 2.432 574 K HA 0.069 4.380 4.320 -0.014 0.000 0.196 574 K C 0.118 176.543 176.600 -0.291 0.000 1.038 574 K CA 0.499 56.447 56.287 -0.564 0.000 0.986 574 K CB -0.043 32.123 32.500 -0.557 0.000 0.782 574 K HN 0.263 nan 8.250 nan 0.000 0.485 575 R N 0.399 120.755 120.500 -0.239 0.000 3.422 575 R HA -0.234 4.097 4.340 -0.014 0.000 0.267 575 R C 0.298 176.518 176.300 -0.134 0.000 1.074 575 R CA 0.249 56.261 56.100 -0.147 0.000 0.718 575 R CB -1.947 28.283 30.300 -0.117 0.000 1.157 575 R HN 0.305 nan 8.270 nan 0.000 0.440 576 Q N 0.356 120.076 119.800 -0.133 0.000 2.248 576 Q HA -0.096 4.236 4.340 -0.014 0.000 0.208 576 Q C 2.043 177.994 176.000 -0.082 0.000 0.984 576 Q CA 1.605 57.344 55.803 -0.106 0.000 0.875 576 Q CB -0.027 28.651 28.738 -0.099 0.000 0.910 576 Q HN 0.589 nan 8.270 nan 0.000 0.433 577 L N -0.676 120.501 121.223 -0.077 0.000 2.083 577 L HA -0.177 4.155 4.340 -0.014 0.000 0.209 577 L C 2.015 178.884 176.870 -0.002 0.000 1.083 577 L CA 0.493 55.301 54.840 -0.053 0.000 0.752 577 L CB -0.339 41.697 42.059 -0.039 0.000 0.899 577 L HN 0.304 nan 8.230 nan 0.000 0.433 578 L N 0.095 121.312 121.223 -0.011 0.000 2.046 578 L HA -0.253 4.078 4.340 -0.014 0.000 0.208 578 L C 2.036 178.960 176.870 0.091 0.000 1.077 578 L CA 1.946 56.793 54.840 0.013 0.000 0.747 578 L CB -0.835 41.128 42.059 -0.159 0.000 0.896 578 L HN 0.292 nan 8.230 nan 0.000 0.432 579 N N -1.700 117.020 118.700 0.032 0.000 2.069 579 N HA -0.240 4.492 4.740 -0.014 0.000 0.191 579 N C 1.957 177.545 175.510 0.131 0.000 1.031 579 N CA 1.682 54.823 53.050 0.153 0.000 0.852 579 N CB -0.148 38.363 38.487 0.040 0.000 1.018 579 N HN 0.495 nan 8.380 nan 0.000 0.423 580 C N 0.520 119.833 119.300 0.022 0.000 2.413 580 C HA -0.092 4.359 4.460 -0.014 0.000 0.276 580 C C 2.581 177.558 174.990 -0.022 0.000 1.248 580 C CA 0.424 59.407 59.018 -0.057 0.000 1.742 580 C CB -1.272 26.382 27.740 -0.143 0.000 2.017 580 C HN 0.507 nan 8.230 nan 0.000 0.481 581 L N -0.492 120.780 121.223 0.081 0.000 2.056 581 L HA -0.180 4.152 4.340 -0.014 0.000 0.207 581 L C 2.783 179.800 176.870 0.244 0.000 1.078 581 L CA 1.731 56.665 54.840 0.158 0.000 0.749 581 L CB -1.015 41.202 42.059 0.264 0.000 0.901 581 L HN 0.579 nan 8.230 nan 0.000 0.433 582 H N -0.024 119.150 119.070 0.174 0.000 2.321 582 H HA -0.147 4.401 4.556 -0.014 0.000 0.300 582 H C 2.249 177.565 175.328 -0.020 0.000 1.087 582 H CA 2.005 58.072 56.048 0.031 0.000 1.319 582 H CB 0.269 29.978 29.762 -0.088 0.000 1.379 582 H HN 0.082 nan 8.280 nan 0.000 0.501 583 V N 1.586 121.414 119.914 -0.143 0.000 2.282 583 V HA -0.295 3.816 4.120 -0.014 0.000 0.249 583 V C 2.854 178.874 176.094 -0.123 0.000 1.057 583 V CA 2.070 64.254 62.300 -0.193 0.000 1.032 583 V CB -0.556 31.202 31.823 -0.109 0.000 0.645 583 V HN 0.387 nan 8.190 nan 0.000 0.447 584 I N -0.276 120.257 120.570 -0.062 0.000 2.286 584 I HA -0.220 3.942 4.170 -0.014 0.000 0.248 584 I C 2.495 178.658 176.117 0.077 0.000 1.115 584 I CA 1.733 63.062 61.300 0.048 0.000 1.392 584 I CB -0.700 37.303 38.000 0.006 0.000 1.065 584 I HN 0.324 nan 8.210 nan 0.000 0.418 585 T N 1.177 115.735 114.554 0.008 0.000 2.684 585 T HA -0.158 4.183 4.350 -0.014 0.000 0.267 585 T C 1.871 176.519 174.700 -0.087 0.000 1.036 585 T CA 1.251 63.348 62.100 -0.005 0.000 1.148 585 T CB -0.265 68.624 68.868 0.036 0.000 0.863 585 T HN 0.076 nan 8.240 nan 0.000 0.436 586 L N 0.086 121.188 121.223 -0.201 0.000 2.017 586 L HA -0.018 4.314 4.340 -0.014 0.000 0.208 586 L C 2.111 178.935 176.870 -0.076 0.000 1.073 586 L CA 1.566 56.288 54.840 -0.197 0.000 0.745 586 L CB -1.132 40.739 42.059 -0.313 0.000 0.894 586 L HN 0.353 nan 8.230 nan 0.000 0.432 587 Y N 0.405 120.637 120.300 -0.113 0.000 2.128 587 Y HA -0.322 4.219 4.550 -0.014 0.000 0.284 587 Y C 2.460 178.336 175.900 -0.039 0.000 1.154 587 Y CA 1.978 60.051 58.100 -0.045 0.000 1.149 587 Y CB -0.130 38.348 38.460 0.029 0.000 0.976 587 Y HN 0.290 nan 8.280 nan 0.000 0.505 588 N N 0.392 119.036 118.700 -0.093 0.000 2.166 588 N HA -0.143 4.589 4.740 -0.014 0.000 0.186 588 N C 1.836 177.231 175.510 -0.192 0.000 1.019 588 N CA 1.509 54.446 53.050 -0.188 0.000 0.856 588 N CB -0.369 38.072 38.487 -0.077 0.000 0.993 588 N HN 0.449 nan 8.380 nan 0.000 0.426 589 R N 0.373 120.787 120.500 -0.143 0.000 2.092 589 R HA 0.070 4.401 4.340 -0.014 0.000 0.231 589 R C 2.216 178.429 176.300 -0.147 0.000 1.119 589 R CA 0.763 56.787 56.100 -0.127 0.000 0.970 589 R CB -0.235 30.001 30.300 -0.107 0.000 0.864 589 R HN 0.240 nan 8.270 nan 0.000 0.440 590 I N 0.925 121.387 120.570 -0.180 0.000 2.202 590 I HA -0.267 3.894 4.170 -0.014 0.000 0.242 590 I C 2.111 178.106 176.117 -0.203 0.000 1.091 590 I CA 1.182 62.376 61.300 -0.177 0.000 1.368 590 I CB -0.193 37.706 38.000 -0.168 0.000 1.058 590 I HN 0.012 nan 8.210 nan 0.000 0.410 591 K N 0.897 121.107 120.400 -0.315 0.000 2.147 591 K HA -0.205 4.106 4.320 -0.014 0.000 0.205 591 K C 2.015 178.512 176.600 -0.172 0.000 1.049 591 K CA 1.237 57.352 56.287 -0.286 0.000 0.936 591 K CB -0.316 31.930 32.500 -0.423 0.000 0.722 591 K HN 0.337 nan 8.250 nan 0.000 0.446 592 K N 1.042 121.349 120.400 -0.155 0.000 2.076 592 K HA -0.068 4.243 4.320 -0.014 0.000 0.204 592 K C 0.017 176.569 176.600 -0.080 0.000 1.051 592 K CA 0.971 57.195 56.287 -0.105 0.000 0.949 592 K CB 0.370 32.812 32.500 -0.096 0.000 0.726 592 K HN 0.083 nan 8.250 nan 0.000 0.443 593 E N 0.303 120.454 120.200 -0.082 0.000 3.037 593 E HA 0.120 4.462 4.350 -0.014 0.000 0.220 593 E C -2.335 174.229 176.600 -0.060 0.000 1.142 593 E CA -1.609 54.755 56.400 -0.059 0.000 0.888 593 E CB 1.708 31.380 29.700 -0.047 0.000 1.329 593 E HN 0.131 nan 8.360 nan 0.000 0.409 594 P HA -0.123 nan 4.420 nan 0.000 0.218 594 P C 0.294 177.575 177.300 -0.031 0.000 1.149 594 P CA 1.157 64.224 63.100 -0.055 0.000 0.817 594 P CB 0.205 31.877 31.700 -0.047 0.000 0.785 595 N N -1.233 117.457 118.700 -0.016 0.000 2.314 595 N HA 0.013 4.745 4.740 -0.014 0.000 0.200 595 N C 0.574 176.098 175.510 0.024 0.000 1.135 595 N CA -0.076 52.976 53.050 0.005 0.000 0.835 595 N CB 0.081 38.571 38.487 0.004 0.000 0.989 595 N HN 0.006 nan 8.380 nan 0.000 0.478 596 K N 1.086 121.495 120.400 0.014 0.000 2.118 596 K HA 0.146 4.458 4.320 -0.014 0.000 0.267 596 K C -0.913 175.727 176.600 0.067 0.000 0.991 596 K CA -0.538 55.773 56.287 0.039 0.000 0.916 596 K CB 0.661 33.164 32.500 0.005 0.000 1.041 596 K HN -0.054 nan 8.250 nan 0.000 0.455 597 F N 4.366 124.301 119.950 -0.024 0.000 2.456 597 F HA 0.221 4.739 4.527 -0.014 0.000 0.358 597 F C -0.385 175.399 175.800 -0.027 0.000 1.095 597 F CA -0.279 57.708 58.000 -0.022 0.000 1.216 597 F CB 0.618 39.608 39.000 -0.017 0.000 1.125 597 F HN 0.166 nan 8.300 nan 0.000 0.549 598 V N 4.418 123.798 119.914 -0.891 0.000 2.735 598 V HA 0.559 4.671 4.120 -0.014 0.000 0.310 598 V C -0.670 174.792 176.094 -1.054 0.000 1.061 598 V CA -1.195 60.662 62.300 -0.738 0.000 0.913 598 V CB 1.018 32.623 31.823 -0.364 0.000 1.005 598 V HN 0.570 nan 8.190 nan 0.000 0.428 599 V N 5.224 124.775 119.914 -0.605 0.000 2.493 599 V HA 0.189 4.300 4.120 -0.014 0.000 0.292 599 V C -1.777 174.150 176.094 -0.280 0.000 1.016 599 V CA -0.397 61.703 62.300 -0.334 0.000 1.097 599 V CB 0.372 32.131 31.823 -0.106 0.000 0.947 599 V HN 0.919 nan 8.190 nan 0.000 0.479 600 P HA 0.380 nan 4.420 nan 0.000 0.271 600 P C -0.489 176.726 177.300 -0.141 0.000 1.216 600 P CA -0.216 62.799 63.100 -0.143 0.000 0.776 600 P CB 0.599 32.264 31.700 -0.059 0.000 0.881 601 R N 0.898 121.325 120.500 -0.121 0.000 2.628 601 R HA 0.504 4.835 4.340 -0.014 0.000 0.288 601 R C -0.734 175.523 176.300 -0.072 0.000 0.980 601 R CA -0.570 55.460 56.100 -0.117 0.000 0.891 601 R CB 1.909 32.124 30.300 -0.141 0.000 1.188 601 R HN 0.328 nan 8.270 nan 0.000 0.450 602 T N 2.437 116.961 114.554 -0.051 0.000 2.753 602 T HA 0.234 4.575 4.350 -0.014 0.000 0.297 602 T C -0.219 174.387 174.700 -0.158 0.000 0.981 602 T CA -0.456 61.566 62.100 -0.130 0.000 0.956 602 T CB 1.107 69.813 68.868 -0.270 0.000 0.936 602 T HN 0.123 nan 8.240 nan 0.000 0.463 603 V N 6.026 125.860 119.914 -0.133 0.000 2.348 603 V HA 0.383 4.495 4.120 -0.014 0.000 0.270 603 V C 0.061 176.076 176.094 -0.132 0.000 1.037 603 V CA -0.424 61.806 62.300 -0.117 0.000 0.872 603 V CB 0.539 32.310 31.823 -0.086 0.000 1.002 603 V HN 0.866 nan 8.190 nan 0.000 0.464 604 M N 6.744 126.255 119.600 -0.149 0.000 2.167 604 M HA 0.612 5.083 4.480 -0.014 0.000 0.333 604 M C -0.946 175.249 176.300 -0.174 0.000 1.030 604 M CA -0.139 55.065 55.300 -0.159 0.000 0.963 604 M CB 1.873 34.372 32.600 -0.168 0.000 1.589 604 M HN 0.407 nan 8.290 nan 0.000 0.431 605 I N 1.878 122.330 120.570 -0.198 0.000 2.498 605 I HA 0.834 4.995 4.170 -0.014 0.000 0.290 605 I C 0.102 175.917 176.117 -0.503 0.000 1.032 605 I CA -0.641 60.516 61.300 -0.238 0.000 1.073 605 I CB 2.301 40.245 38.000 -0.093 0.000 1.251 605 I HN 0.800 nan 8.210 nan 0.000 0.426 606 G N 2.942 111.410 108.800 -0.554 0.000 2.696 606 G HA2 0.823 4.774 3.960 -0.014 0.000 0.295 606 G HA3 0.823 4.774 3.960 -0.014 0.000 0.295 606 G C -1.008 173.598 174.900 -0.489 0.000 1.398 606 G CA -0.734 43.900 45.100 -0.775 0.000 0.920 606 G HN 0.995 nan 8.290 nan 0.000 0.492 607 G N -0.285 108.367 108.800 -0.247 0.000 2.352 607 G HA2 0.405 4.357 3.960 -0.014 0.000 0.305 607 G HA3 0.405 4.357 3.960 -0.014 0.000 0.305 607 G C -1.320 173.707 174.900 0.210 0.000 1.537 607 G CA -1.055 44.078 45.100 0.055 0.000 0.959 607 G HN 0.610 nan 8.290 nan 0.000 0.668 608 K N -0.068 120.452 120.400 0.200 0.000 2.110 608 K HA 0.735 5.046 4.320 -0.014 0.000 0.263 608 K C 0.275 176.991 176.600 0.193 0.000 0.975 608 K CA -0.193 56.229 56.287 0.226 0.000 0.895 608 K CB 2.034 34.582 32.500 0.080 0.000 1.060 608 K HN 0.856 nan 8.250 nan 0.000 0.448 609 A N 1.586 124.545 122.820 0.232 0.000 2.305 609 A HA 0.612 4.924 4.320 -0.014 0.000 0.322 609 A C -0.326 177.410 177.584 0.254 0.000 1.187 609 A CA -0.700 51.407 52.037 0.118 0.000 0.825 609 A CB 0.889 19.884 19.000 -0.008 0.000 1.164 609 A HN 0.790 nan 8.150 nan 0.000 0.498 610 A N 3.719 126.669 122.820 0.216 0.000 2.540 610 A HA 0.445 4.757 4.320 -0.014 0.000 0.239 610 A C -1.373 176.289 177.584 0.130 0.000 1.061 610 A CA -0.710 51.468 52.037 0.235 0.000 0.758 610 A CB -0.362 18.755 19.000 0.196 0.000 0.991 610 A HN 0.606 nan 8.150 nan 0.000 0.502 611 P HA -0.138 nan 4.420 nan 0.000 0.217 611 P C 1.333 178.628 177.300 -0.009 0.000 1.148 611 P CA 1.979 65.019 63.100 -0.100 0.000 0.828 611 P CB 0.187 31.772 31.700 -0.192 0.000 0.783 612 G N -2.983 105.838 108.800 0.036 0.000 3.042 612 G HA2 -0.089 3.862 3.960 -0.014 0.000 0.212 612 G HA3 -0.089 3.862 3.960 -0.014 0.000 0.212 612 G C -0.197 174.755 174.900 0.086 0.000 1.166 612 G CA -0.114 45.013 45.100 0.045 0.000 0.767 612 G HN 0.311 nan 8.290 nan 0.000 0.546 613 Y N 1.526 121.789 120.300 -0.061 0.000 2.676 613 Y HA 0.210 4.752 4.550 -0.014 0.000 0.338 613 Y C 1.580 177.482 175.900 0.004 0.000 1.057 613 Y CA -1.094 56.957 58.100 -0.082 0.000 1.314 613 Y CB 0.186 38.558 38.460 -0.146 0.000 1.164 613 Y HN 0.287 nan 8.280 nan 0.000 0.509 614 H N 4.278 123.485 119.070 0.228 0.000 2.321 614 H HA -0.200 4.348 4.556 -0.014 0.000 0.300 614 H C 1.793 177.170 175.328 0.082 0.000 1.087 614 H CA 2.236 58.358 56.048 0.124 0.000 1.319 614 H CB 0.396 30.223 29.762 0.108 0.000 1.379 614 H HN 0.731 nan 8.280 nan 0.000 0.501 615 M N 1.102 120.748 119.600 0.076 0.000 2.108 615 M HA -0.081 4.391 4.480 -0.014 0.000 0.261 615 M C 2.540 178.641 176.300 -0.331 0.000 1.066 615 M CA 1.858 57.114 55.300 -0.073 0.000 1.107 615 M CB -0.752 31.943 32.600 0.158 0.000 1.356 615 M HN 0.328 nan 8.290 nan 0.000 0.406 616 A N -0.497 121.885 122.820 -0.729 0.000 1.972 616 A HA -0.188 4.124 4.320 -0.014 0.000 0.219 616 A C 2.192 179.570 177.584 -0.343 0.000 1.169 616 A CA 1.834 53.442 52.037 -0.714 0.000 0.635 616 A CB -0.646 17.674 19.000 -1.134 0.000 0.810 616 A HN 0.597 nan 8.150 nan 0.000 0.446 617 K N -1.190 119.065 120.400 -0.243 0.000 2.155 617 K HA -0.015 4.297 4.320 -0.014 0.000 0.203 617 K C 1.897 178.445 176.600 -0.086 0.000 1.052 617 K CA 1.115 57.343 56.287 -0.098 0.000 0.948 617 K CB -0.188 32.315 32.500 0.005 0.000 0.728 617 K HN 0.331 nan 8.250 nan 0.000 0.448 618 M N 0.601 120.106 119.600 -0.158 0.000 2.175 618 M HA -0.083 4.388 4.480 -0.014 0.000 0.264 618 M C 2.100 178.339 176.300 -0.103 0.000 1.063 618 M CA 1.439 56.686 55.300 -0.089 0.000 1.119 618 M CB -0.632 31.907 32.600 -0.101 0.000 1.377 618 M HN 0.121 nan 8.290 nan 0.000 0.415 619 I N -0.259 120.213 120.570 -0.163 0.000 2.226 619 I HA -0.298 3.864 4.170 -0.014 0.000 0.245 619 I C 2.289 178.274 176.117 -0.219 0.000 1.100 619 I CA 1.042 62.233 61.300 -0.182 0.000 1.374 619 I CB -0.334 37.559 38.000 -0.179 0.000 1.057 619 I HN 0.170 nan 8.210 nan 0.000 0.413 620 I N 0.732 121.150 120.570 -0.253 0.000 2.163 620 I HA -0.319 3.842 4.170 -0.014 0.000 0.243 620 I C 2.628 178.455 176.117 -0.484 0.000 1.085 620 I CA 1.326 62.373 61.300 -0.422 0.000 1.347 620 I CB -0.343 37.376 38.000 -0.470 0.000 1.044 620 I HN 0.157 nan 8.210 nan 0.000 0.408 621 K N 1.519 121.652 120.400 -0.444 0.000 2.063 621 K HA -0.174 4.138 4.320 -0.014 0.000 0.208 621 K C 2.053 178.490 176.600 -0.271 0.000 1.048 621 K CA 1.569 57.518 56.287 -0.563 0.000 0.928 621 K CB -0.633 31.274 32.500 -0.989 0.000 0.713 621 K HN 0.230 nan 8.250 nan 0.000 0.442 622 L N 0.384 121.483 121.223 -0.206 0.000 2.012 622 L HA -0.199 4.133 4.340 -0.014 0.000 0.210 622 L C 2.235 178.874 176.870 -0.384 0.000 1.073 622 L CA 1.852 56.409 54.840 -0.473 0.000 0.748 622 L CB -0.328 41.368 42.059 -0.605 0.000 0.891 622 L HN 0.286 nan 8.230 nan 0.000 0.431 623 I N -0.249 120.145 120.570 -0.294 0.000 2.163 623 I HA -0.337 3.825 4.170 -0.014 0.000 0.243 623 I C 2.634 178.648 176.117 -0.170 0.000 1.085 623 I CA 1.933 63.113 61.300 -0.199 0.000 1.347 623 I CB -0.567 37.397 38.000 -0.061 0.000 1.044 623 I HN 0.431 nan 8.210 nan 0.000 0.408 624 T N -0.825 113.600 114.554 -0.215 0.000 2.821 624 T HA -0.091 4.251 4.350 -0.014 0.000 0.267 624 T C 1.986 176.624 174.700 -0.104 0.000 1.046 624 T CA 0.968 62.974 62.100 -0.158 0.000 1.139 624 T CB -0.515 68.214 68.868 -0.231 0.000 0.871 624 T HN 0.341 nan 8.240 nan 0.000 0.454 625 A N 1.555 124.310 122.820 -0.108 0.000 1.898 625 A HA 0.135 4.446 4.320 -0.014 0.000 0.216 625 A C 2.376 179.979 177.584 0.032 0.000 1.181 625 A CA 1.313 53.356 52.037 0.010 0.000 0.620 625 A CB -0.822 18.279 19.000 0.167 0.000 0.819 625 A HN 0.590 nan 8.150 nan 0.000 0.442 626 I N -0.211 120.274 120.570 -0.142 0.000 2.179 626 I HA -0.211 3.951 4.170 -0.014 0.000 0.242 626 I C 2.751 178.828 176.117 -0.068 0.000 1.088 626 I CA 1.180 62.378 61.300 -0.169 0.000 1.357 626 I CB -0.743 37.031 38.000 -0.377 0.000 1.051 626 I HN 0.381 nan 8.210 nan 0.000 0.409 627 G N 0.553 109.306 108.800 -0.079 0.000 2.476 627 G HA2 -0.298 3.653 3.960 -0.014 0.000 0.218 627 G HA3 -0.298 3.653 3.960 -0.014 0.000 0.218 627 G C 1.288 176.178 174.900 -0.016 0.000 1.164 627 G CA 1.237 46.301 45.100 -0.060 0.000 0.768 627 G HN 0.294 nan 8.290 nan 0.000 0.560 628 D N -0.060 120.371 120.400 0.053 0.000 2.149 628 D HA -0.094 4.537 4.640 -0.014 0.000 0.198 628 D C 2.721 179.136 176.300 0.191 0.000 0.990 628 D CA 0.885 54.983 54.000 0.163 0.000 0.839 628 D CB -0.272 40.581 40.800 0.088 0.000 0.948 628 D HN 0.254 nan 8.370 nan 0.000 0.460 629 V N 0.122 120.079 119.914 0.071 0.000 2.379 629 V HA -0.128 3.984 4.120 -0.014 0.000 0.243 629 V C 2.569 178.612 176.094 -0.087 0.000 1.035 629 V CA 0.750 63.038 62.300 -0.020 0.000 1.035 629 V CB -0.162 31.619 31.823 -0.070 0.000 0.673 629 V HN 0.030 nan 8.190 nan 0.000 0.457 630 V N 0.806 120.619 119.914 -0.169 0.000 2.379 630 V HA -0.166 3.945 4.120 -0.014 0.000 0.245 630 V C 2.144 178.187 176.094 -0.086 0.000 1.044 630 V CA 1.883 64.069 62.300 -0.189 0.000 1.036 630 V CB -0.813 30.896 31.823 -0.189 0.000 0.664 630 V HN 0.553 nan 8.190 nan 0.000 0.453 631 N N -0.191 118.400 118.700 -0.182 0.000 2.512 631 N HA -0.089 4.643 4.740 -0.014 0.000 0.183 631 N C 1.157 176.383 175.510 -0.473 0.000 1.073 631 N CA 0.930 53.775 53.050 -0.342 0.000 0.911 631 N CB -0.270 37.935 38.487 -0.470 0.000 0.964 631 N HN 0.690 nan 8.380 nan 0.000 0.447 632 H N -1.663 117.409 119.070 0.004 0.000 2.674 632 H HA 0.212 4.760 4.556 -0.014 0.000 0.274 632 H C -0.565 174.777 175.328 0.023 0.000 1.121 632 H CA -0.500 55.551 56.048 0.005 0.000 1.132 632 H CB 0.631 30.386 29.762 -0.011 0.000 1.606 632 H HN -0.024 nan 8.280 nan 0.000 0.558 633 D N 2.425 122.897 120.400 0.121 0.000 2.339 633 D HA 0.033 4.664 4.640 -0.014 0.000 0.241 633 D C -1.421 174.936 176.300 0.095 0.000 1.183 633 D CA -2.130 51.954 54.000 0.140 0.000 0.859 633 D CB 1.726 42.686 40.800 0.266 0.000 1.067 633 D HN 0.146 nan 8.370 nan 0.000 0.484 634 P HA -0.116 nan 4.420 nan 0.000 0.220 634 P C 1.560 178.880 177.300 0.033 0.000 1.148 634 P CA 0.341 63.468 63.100 0.044 0.000 0.803 634 P CB 0.520 32.240 31.700 0.035 0.000 0.782 635 V N 0.049 119.984 119.914 0.035 0.000 2.515 635 V HA -0.159 3.953 4.120 -0.014 0.000 0.250 635 V C 2.762 178.860 176.094 0.006 0.000 1.058 635 V CA 1.403 63.710 62.300 0.012 0.000 1.064 635 V CB -0.926 30.895 31.823 -0.005 0.000 0.675 635 V HN -0.038 nan 8.190 nan 0.000 0.461 636 V N -0.275 119.661 119.914 0.036 0.000 2.379 636 V HA 0.122 4.233 4.120 -0.014 0.000 0.245 636 V C 1.762 177.863 176.094 0.012 0.000 1.044 636 V CA 1.550 63.870 62.300 0.034 0.000 1.036 636 V CB -1.162 30.727 31.823 0.109 0.000 0.664 636 V HN 0.737 nan 8.190 nan 0.000 0.453 637 G N 1.555 110.366 108.800 0.017 0.000 2.550 637 G HA2 -0.344 3.608 3.960 -0.014 0.000 0.277 637 G HA3 -0.344 3.608 3.960 -0.014 0.000 0.277 637 G C 0.186 175.087 174.900 0.001 0.000 1.190 637 G CA 0.382 45.487 45.100 0.008 0.000 0.971 637 G HN 0.689 nan 8.290 nan 0.000 0.559 638 D N 0.325 120.726 120.400 0.002 0.000 2.491 638 D HA 0.215 4.846 4.640 -0.014 0.000 0.228 638 D C 1.730 178.024 176.300 -0.010 0.000 1.183 638 D CA -0.014 53.987 54.000 0.002 0.000 0.827 638 D CB -0.065 40.748 40.800 0.020 0.000 0.989 638 D HN 0.604 nan 8.370 nan 0.000 0.494 639 R N -0.713 119.770 120.500 -0.028 0.000 2.161 639 R HA 0.203 4.534 4.340 -0.014 0.000 0.213 639 R C -0.007 176.251 176.300 -0.070 0.000 1.055 639 R CA 0.250 56.311 56.100 -0.064 0.000 0.996 639 R CB 0.297 30.543 30.300 -0.090 0.000 0.901 639 R HN 0.127 nan 8.270 nan 0.000 0.456 640 L N 0.667 121.864 121.223 -0.043 0.000 2.470 640 L HA 0.400 4.732 4.340 -0.014 0.000 0.268 640 L C -1.511 175.334 176.870 -0.042 0.000 0.964 640 L CA -0.503 54.310 54.840 -0.045 0.000 0.839 640 L CB 1.876 43.920 42.059 -0.024 0.000 1.276 640 L HN -0.167 nan 8.230 nan 0.000 0.403 641 R N 3.889 124.352 120.500 -0.062 0.000 2.628 641 R HA 0.743 5.075 4.340 -0.014 0.000 0.288 641 R C -1.688 174.557 176.300 -0.090 0.000 0.980 641 R CA -0.772 55.283 56.100 -0.076 0.000 0.891 641 R CB 2.410 32.667 30.300 -0.072 0.000 1.188 641 R HN 0.423 nan 8.270 nan 0.000 0.450 642 V N 4.993 124.852 119.914 -0.092 0.000 2.378 642 V HA 0.488 4.599 4.120 -0.014 0.000 0.288 642 V C -0.325 175.728 176.094 -0.069 0.000 1.016 642 V CA -0.705 61.544 62.300 -0.086 0.000 0.840 642 V CB 1.630 33.399 31.823 -0.090 0.000 0.994 642 V HN 0.540 nan 8.190 nan 0.000 0.431 643 I N 4.929 125.458 120.570 -0.068 0.000 2.436 643 I HA 0.419 4.581 4.170 -0.014 0.000 0.289 643 I C -0.625 175.481 176.117 -0.019 0.000 1.010 643 I CA -0.313 60.960 61.300 -0.046 0.000 1.098 643 I CB 1.876 39.827 38.000 -0.080 0.000 1.266 643 I HN 0.550 nan 8.210 nan 0.000 0.434 644 F N 7.232 127.118 119.950 -0.106 0.000 2.421 644 F HA 0.428 4.947 4.527 -0.014 0.000 0.358 644 F C -0.405 175.330 175.800 -0.109 0.000 1.115 644 F CA -0.576 57.362 58.000 -0.104 0.000 1.160 644 F CB 0.554 39.495 39.000 -0.097 0.000 1.123 644 F HN 0.177 nan 8.300 nan 0.000 0.508 645 L N 6.297 127.136 121.223 -0.639 0.000 2.407 645 L HA 0.135 4.467 4.340 -0.014 0.000 0.282 645 L C 0.333 176.922 176.870 -0.468 0.000 1.110 645 L CA 0.183 54.758 54.840 -0.441 0.000 0.863 645 L CB 0.045 41.928 42.059 -0.294 0.000 1.207 645 L HN 0.607 nan 8.230 nan 0.000 0.454 646 E N 3.414 123.472 120.200 -0.237 0.000 2.373 646 E HA -0.031 4.310 4.350 -0.014 0.000 0.267 646 E C 0.498 177.142 176.600 0.073 0.000 1.032 646 E CA -0.265 56.139 56.400 0.007 0.000 0.889 646 E CB 0.341 30.040 29.700 -0.002 0.000 0.984 646 E HN 0.545 nan 8.360 nan 0.000 0.425 647 N N 2.485 121.292 118.700 0.178 0.000 2.725 647 N HA -0.284 4.448 4.740 -0.014 0.000 0.251 647 N C -1.523 174.078 175.510 0.152 0.000 1.031 647 N CA 0.577 53.733 53.050 0.177 0.000 0.720 647 N CB -1.647 36.961 38.487 0.201 0.000 0.930 647 N HN 0.491 nan 8.380 nan 0.000 0.543 648 Y N 1.512 121.818 120.300 0.011 0.000 2.717 648 Y HA 0.190 4.731 4.550 -0.014 0.000 0.330 648 Y C 1.142 177.061 175.900 0.032 0.000 1.217 648 Y CA 0.743 58.841 58.100 -0.003 0.000 1.506 648 Y CB 0.337 38.762 38.460 -0.059 0.000 1.268 648 Y HN 0.388 nan 8.280 nan 0.000 0.561 649 R N 2.382 122.509 120.500 -0.621 0.000 2.756 649 R HA 0.394 4.725 4.340 -0.014 0.000 0.273 649 R C -0.650 175.326 176.300 -0.540 0.000 1.030 649 R CA -0.556 55.285 56.100 -0.430 0.000 0.887 649 R CB 0.241 30.477 30.300 -0.107 0.000 1.274 649 R HN 0.369 nan 8.270 nan 0.000 0.461 650 V N 1.120 120.770 119.914 -0.441 0.000 2.255 650 V HA -0.297 3.815 4.120 -0.014 0.000 0.247 650 V C 2.606 178.583 176.094 -0.194 0.000 1.051 650 V CA 2.877 64.977 62.300 -0.333 0.000 1.018 650 V CB -0.851 30.757 31.823 -0.359 0.000 0.641 650 V HN 0.922 nan 8.190 nan 0.000 0.445 651 S N 0.104 115.709 115.700 -0.159 0.000 2.382 651 S HA -0.201 4.260 4.470 -0.014 0.000 0.228 651 S C 1.942 176.498 174.600 -0.073 0.000 1.027 651 S CA 1.770 59.903 58.200 -0.111 0.000 0.991 651 S CB -0.582 62.578 63.200 -0.067 0.000 0.823 651 S HN 0.387 nan 8.310 nan 0.000 0.469 652 L N 2.008 123.200 121.223 -0.051 0.000 2.109 652 L HA 0.285 4.617 4.340 -0.014 0.000 0.207 652 L C 2.723 179.633 176.870 0.067 0.000 1.086 652 L CA 1.438 56.304 54.840 0.044 0.000 0.760 652 L CB -1.303 40.839 42.059 0.138 0.000 0.910 652 L HN 0.359 nan 8.230 nan 0.000 0.437 653 A N -0.669 122.154 122.820 0.006 0.000 1.908 653 A HA -0.257 4.054 4.320 -0.014 0.000 0.218 653 A C 2.134 179.793 177.584 0.124 0.000 1.181 653 A CA 1.938 54.056 52.037 0.136 0.000 0.627 653 A CB -0.649 18.414 19.000 0.105 0.000 0.818 653 A HN 0.604 nan 8.150 nan 0.000 0.445 654 E N -0.524 119.721 120.200 0.075 0.000 2.265 654 E HA -0.159 4.182 4.350 -0.014 0.000 0.196 654 E C 1.882 178.460 176.600 -0.038 0.000 0.996 654 E CA 1.195 57.594 56.400 -0.001 0.000 0.832 654 E CB -0.048 29.558 29.700 -0.158 0.000 0.756 654 E HN 0.635 nan 8.360 nan 0.000 0.491 655 K N -0.060 120.313 120.400 -0.046 0.000 2.168 655 K HA 0.032 4.344 4.320 -0.014 0.000 0.201 655 K C 2.111 178.606 176.600 -0.175 0.000 1.049 655 K CA 0.398 56.660 56.287 -0.042 0.000 0.974 655 K CB 0.119 32.596 32.500 -0.038 0.000 0.792 655 K HN -0.048 nan 8.250 nan 0.000 0.463 656 V N 1.700 121.424 119.914 -0.316 0.000 2.535 656 V HA -0.098 4.013 4.120 -0.014 0.000 0.246 656 V C 1.850 177.715 176.094 -0.381 0.000 1.045 656 V CA 1.099 62.968 62.300 -0.719 0.000 1.058 656 V CB -0.123 31.373 31.823 -0.545 0.000 0.689 656 V HN 0.228 nan 8.190 nan 0.000 0.461 657 I N 0.845 121.240 120.570 -0.292 0.000 2.179 657 I HA -0.131 4.030 4.170 -0.014 0.000 0.242 657 I C -0.226 175.766 176.117 -0.209 0.000 1.088 657 I CA 1.669 62.712 61.300 -0.428 0.000 1.357 657 I CB -1.555 36.068 38.000 -0.628 0.000 1.051 657 I HN 0.360 nan 8.210 nan 0.000 0.409 658 P HA -0.134 nan 4.420 nan 0.000 0.221 658 P C 0.966 178.257 177.300 -0.016 0.000 1.145 658 P CA 1.312 64.386 63.100 -0.044 0.000 0.795 658 P CB -0.002 31.684 31.700 -0.024 0.000 0.775 659 A N -1.256 121.539 122.820 -0.043 0.000 2.275 659 A HA 0.460 4.772 4.320 -0.014 0.000 0.212 659 A C 1.175 178.840 177.584 0.135 0.000 1.201 659 A CA 0.150 52.206 52.037 0.033 0.000 0.843 659 A CB -0.640 18.385 19.000 0.041 0.000 0.873 659 A HN 0.204 nan 8.150 nan 0.000 0.492 660 A N -0.097 122.808 122.820 0.143 0.000 2.327 660 A HA 0.491 4.802 4.320 -0.014 0.000 0.283 660 A C 0.322 178.051 177.584 0.243 0.000 1.127 660 A CA -0.251 51.941 52.037 0.258 0.000 0.810 660 A CB 0.391 19.638 19.000 0.412 0.000 1.066 660 A HN 0.262 nan 8.150 nan 0.000 0.492 661 D N 0.608 121.158 120.400 0.250 0.000 2.338 661 D HA 0.110 4.742 4.640 -0.014 0.000 0.224 661 D C 0.103 176.630 176.300 0.378 0.000 0.967 661 D CA 0.788 54.993 54.000 0.342 0.000 0.896 661 D CB 0.270 41.197 40.800 0.211 0.000 1.028 661 D HN 0.366 nan 8.370 nan 0.000 0.493 662 L N 1.005 122.340 121.223 0.188 0.000 2.356 662 L HA 0.298 4.630 4.340 -0.014 0.000 0.277 662 L C -0.816 175.970 176.870 -0.140 0.000 0.996 662 L CA -0.322 54.560 54.840 0.070 0.000 0.822 662 L CB 2.113 44.186 42.059 0.023 0.000 1.256 662 L HN -0.178 nan 8.230 nan 0.000 0.413 663 S N 4.273 119.810 115.700 -0.272 0.000 2.438 663 S HA 0.340 4.802 4.470 -0.014 0.000 0.316 663 S C -0.462 173.896 174.600 -0.403 0.000 1.084 663 S CA -0.700 57.099 58.200 -0.667 0.000 1.107 663 S CB 0.700 63.421 63.200 -0.799 0.000 0.981 663 S HN 0.557 nan 8.310 nan 0.000 0.466 664 E N 4.150 124.116 120.200 -0.390 0.000 2.089 664 E HA 0.201 4.542 4.350 -0.014 0.000 0.284 664 E C -0.524 175.970 176.600 -0.177 0.000 1.023 664 E CA -0.415 55.873 56.400 -0.186 0.000 0.819 664 E CB 0.939 30.557 29.700 -0.136 0.000 1.076 664 E HN 0.604 nan 8.360 nan 0.000 0.396 665 Q N 2.832 122.584 119.800 -0.081 0.000 2.965 665 Q HA 0.266 4.598 4.340 -0.014 0.000 0.288 665 Q C 0.647 176.629 176.000 -0.030 0.000 0.974 665 Q CA -0.133 55.629 55.803 -0.069 0.000 0.849 665 Q CB 0.188 28.895 28.738 -0.052 0.000 1.280 665 Q HN 0.617 nan 8.270 nan 0.000 0.441 666 I N -1.792 118.746 120.570 -0.054 0.000 3.654 666 I HA 0.265 4.426 4.170 -0.014 0.000 0.337 666 I C 0.399 176.457 176.117 -0.099 0.000 1.568 666 I CA -0.680 60.597 61.300 -0.037 0.000 1.115 666 I CB 0.455 38.430 38.000 -0.042 0.000 1.300 666 I HN -0.006 nan 8.210 nan 0.000 0.471 667 S N 0.465 116.106 115.700 -0.098 0.000 2.568 667 S HA 0.176 4.638 4.470 -0.014 0.000 0.282 667 S C 0.567 175.138 174.600 -0.048 0.000 1.338 667 S CA -0.265 57.895 58.200 -0.066 0.000 1.045 667 S CB 0.308 63.515 63.200 0.012 0.000 0.873 667 S HN 0.383 nan 8.310 nan 0.000 0.516 668 T N 2.838 117.396 114.554 0.006 0.000 2.902 668 T HA 0.377 4.718 4.350 -0.014 0.000 0.301 668 T C 0.765 175.467 174.700 0.003 0.000 1.012 668 T CA 0.245 62.356 62.100 0.019 0.000 1.151 668 T CB -0.009 68.937 68.868 0.130 0.000 0.946 668 T HN 1.021 nan 8.240 nan 0.000 0.542 669 A N 2.755 125.546 122.820 -0.048 0.000 2.580 669 A HA 0.443 4.755 4.320 -0.014 0.000 0.244 669 A C 1.645 179.217 177.584 -0.020 0.000 1.045 669 A CA 0.313 52.319 52.037 -0.052 0.000 0.761 669 A CB -0.914 18.043 19.000 -0.073 0.000 0.962 669 A HN 1.721 nan 8.150 nan 0.000 0.512 670 G N 1.407 110.195 108.800 -0.021 0.000 2.176 670 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.232 670 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.232 670 G C 0.877 175.764 174.900 -0.023 0.000 0.986 670 G CA 1.100 46.191 45.100 -0.015 0.000 0.643 670 G HN 1.974 nan 8.290 nan 0.000 0.522 671 T N -2.377 112.161 114.554 -0.027 0.000 3.038 671 T HA 0.396 4.738 4.350 -0.014 0.000 0.244 671 T C 0.784 175.337 174.700 -0.244 0.000 1.016 671 T CA 1.090 63.115 62.100 -0.125 0.000 1.098 671 T CB 0.499 69.343 68.868 -0.041 0.000 0.954 671 T HN 0.297 nan 8.240 nan 0.000 0.469 672 E N 1.508 121.688 120.200 -0.033 0.000 2.052 672 E HA 0.654 4.996 4.350 -0.014 0.000 0.283 672 E C 1.160 177.710 176.600 -0.083 0.000 1.071 672 E CA 0.076 56.495 56.400 0.033 0.000 0.851 672 E CB 0.782 30.561 29.700 0.131 0.000 1.066 672 E HN 0.351 nan 8.360 nan 0.000 0.396 673 A N 3.449 126.145 122.820 -0.207 0.000 1.892 673 A HA -0.223 4.089 4.320 -0.014 0.000 0.218 673 A C 2.001 179.459 177.584 -0.209 0.000 1.188 673 A CA 2.285 54.069 52.037 -0.422 0.000 0.631 673 A CB -0.312 18.175 19.000 -0.855 0.000 0.822 673 A HN 0.607 nan 8.150 nan 0.000 0.447 674 S N -3.853 111.779 115.700 -0.113 0.000 3.792 674 S HA 0.453 4.915 4.470 -0.014 0.000 0.229 674 S C 0.755 175.340 174.600 -0.026 0.000 1.118 674 S CA 1.440 59.617 58.200 -0.038 0.000 0.877 674 S CB -0.146 63.054 63.200 -0.001 0.000 1.077 674 S HN 2.272 nan 8.310 nan 0.000 0.546 675 G N 0.351 109.144 108.800 -0.011 0.000 2.716 675 G HA2 -0.083 3.868 3.960 -0.014 0.000 0.686 675 G HA3 -0.083 3.868 3.960 -0.014 0.000 0.686 675 G C 0.269 175.151 174.900 -0.030 0.000 1.337 675 G CA 0.469 45.561 45.100 -0.013 0.000 0.829 675 G HN 1.325 nan 8.290 nan 0.000 0.599 676 T N -2.032 112.494 114.554 -0.048 0.000 3.010 676 T HA 0.384 4.726 4.350 -0.014 0.000 0.253 676 T C 2.411 177.017 174.700 -0.156 0.000 0.939 676 T CA 1.270 63.312 62.100 -0.096 0.000 0.910 676 T CB 0.224 69.030 68.868 -0.102 0.000 1.226 676 T HN 1.926 nan 8.240 nan 0.000 0.508 677 G N 3.280 112.018 108.800 -0.103 0.000 2.469 677 G HA2 -0.320 3.631 3.960 -0.014 0.000 0.219 677 G HA3 -0.320 3.631 3.960 -0.014 0.000 0.219 677 G C 1.463 176.430 174.900 0.111 0.000 1.150 677 G CA 1.324 46.397 45.100 -0.045 0.000 0.763 677 G HN 0.842 nan 8.290 nan 0.000 0.561 678 N N -0.031 118.701 118.700 0.054 0.000 2.060 678 N HA -0.132 4.600 4.740 -0.014 0.000 0.195 678 N C 1.463 176.978 175.510 0.008 0.000 1.028 678 N CA 0.780 53.854 53.050 0.040 0.000 0.861 678 N CB -0.369 38.093 38.487 -0.042 0.000 1.029 678 N HN 0.350 nan 8.380 nan 0.000 0.428 682 M N 0.293 119.969 119.600 0.126 0.000 2.159 682 M HA -0.149 4.323 4.480 -0.014 0.000 0.263 682 M C 1.946 178.288 176.300 0.070 0.000 1.063 682 M CA 1.776 57.116 55.300 0.066 0.000 1.110 682 M CB -0.039 32.601 32.600 0.068 0.000 1.374 682 M HN 0.309 nan 8.290 nan 0.000 0.411 683 L N 0.651 121.915 121.223 0.070 0.000 2.291 683 L HA -0.060 4.271 4.340 -0.014 0.000 0.214 683 L C 1.326 178.234 176.870 0.063 0.000 1.120 683 L CA 1.615 56.504 54.840 0.081 0.000 0.799 683 L CB -0.641 41.476 42.059 0.098 0.000 0.925 683 L HN 0.350 nan 8.230 nan 0.000 0.446 684 N N -0.381 118.345 118.700 0.044 0.000 2.214 684 N HA 0.177 4.908 4.740 -0.014 0.000 0.214 684 N C 0.807 176.344 175.510 0.044 0.000 1.132 684 N CA 0.789 53.858 53.050 0.033 0.000 0.856 684 N CB 0.655 39.139 38.487 -0.005 0.000 1.020 684 N HN 0.381 nan 8.380 nan 0.000 0.509 685 G N 0.588 109.419 108.800 0.051 0.000 2.140 685 G HA2 -0.177 3.774 3.960 -0.014 0.000 0.211 685 G HA3 -0.177 3.774 3.960 -0.014 0.000 0.211 685 G C -0.055 174.902 174.900 0.094 0.000 1.013 685 G CA 0.082 45.211 45.100 0.049 0.000 0.705 685 G HN 0.499 nan 8.290 nan 0.000 0.508 686 A N -0.217 122.668 122.820 0.108 0.000 2.325 686 A HA 0.880 5.191 4.320 -0.014 0.000 0.333 686 A C 0.418 177.989 177.584 -0.020 0.000 1.155 686 A CA -0.610 51.511 52.037 0.140 0.000 0.814 686 A CB 0.990 20.145 19.000 0.257 0.000 1.206 686 A HN 0.725 nan 8.150 nan 0.000 0.482 687 L N 0.878 122.054 121.223 -0.079 0.000 2.399 687 L HA 0.428 4.759 4.340 -0.014 0.000 0.266 687 L C 0.207 176.967 176.870 -0.183 0.000 1.114 687 L CA -0.290 54.394 54.840 -0.260 0.000 0.804 687 L CB 1.441 43.264 42.059 -0.393 0.000 1.146 687 L HN 0.677 nan 8.230 nan 0.000 0.451 688 T N 2.962 117.306 114.554 -0.350 0.000 2.770 688 T HA 0.438 4.780 4.350 -0.014 0.000 0.283 688 T C -0.345 174.366 174.700 0.020 0.000 0.988 688 T CA -0.246 61.707 62.100 -0.244 0.000 0.957 688 T CB 1.261 69.899 68.868 -0.383 0.000 0.930 688 T HN 0.336 nan 8.240 nan 0.000 0.443 689 I N 3.208 123.836 120.570 0.097 0.000 2.336 689 I HA 0.705 4.867 4.170 -0.014 0.000 0.292 689 I C 0.227 176.523 176.117 0.298 0.000 0.991 689 I CA 0.205 61.651 61.300 0.243 0.000 1.227 689 I CB 0.358 38.427 38.000 0.115 0.000 1.366 689 I HN 0.780 nan 8.210 nan 0.000 0.466 690 G N 3.973 113.023 108.800 0.417 0.000 2.576 690 G HA2 0.417 4.368 3.960 -0.014 0.000 0.290 690 G HA3 0.417 4.368 3.960 -0.014 0.000 0.290 690 G C -0.928 173.906 174.900 -0.111 0.000 1.442 690 G CA -0.384 44.847 45.100 0.219 0.000 0.792 690 G HN 0.599 nan 8.290 nan 0.000 0.491 691 T N -1.361 112.992 114.554 -0.335 0.000 2.847 691 T HA 0.514 4.855 4.350 -0.014 0.000 0.279 691 T C 0.783 175.354 174.700 -0.216 0.000 0.984 691 T CA -0.682 61.140 62.100 -0.463 0.000 0.988 691 T CB 1.117 69.730 68.868 -0.424 0.000 1.040 691 T HN 0.274 nan 8.240 nan 0.000 0.528 692 M N 2.824 122.310 119.600 -0.190 0.000 3.442 692 M HA 0.306 4.777 4.480 -0.014 0.000 0.232 692 M C -0.444 175.795 176.300 -0.101 0.000 1.508 692 M CA -0.002 55.224 55.300 -0.123 0.000 1.647 692 M CB -1.837 30.701 32.600 -0.103 0.000 1.126 692 M HN 0.724 nan 8.290 nan 0.000 0.557 693 D N -0.138 120.207 120.400 -0.092 0.000 2.671 693 D HA 0.673 5.305 4.640 -0.014 0.000 0.232 693 D C 0.721 176.992 176.300 -0.050 0.000 1.114 693 D CA 0.724 54.685 54.000 -0.064 0.000 0.858 693 D CB 1.727 42.490 40.800 -0.061 0.000 1.544 693 D HN 0.590 nan 8.370 nan 0.000 0.471 694 G N 1.745 110.526 108.800 -0.031 0.000 2.627 694 G HA2 -0.260 3.691 3.960 -0.014 0.000 0.312 694 G HA3 -0.260 3.691 3.960 -0.014 0.000 0.312 694 G C 1.025 175.910 174.900 -0.025 0.000 1.299 694 G CA 1.167 46.253 45.100 -0.024 0.000 0.989 694 G HN 1.048 nan 8.290 nan 0.000 0.547 695 A N -0.334 122.464 122.820 -0.037 0.000 2.167 695 A HA 0.113 4.424 4.320 -0.014 0.000 0.214 695 A C 2.112 179.621 177.584 -0.125 0.000 1.151 695 A CA 1.756 53.763 52.037 -0.051 0.000 0.735 695 A CB -0.436 18.519 19.000 -0.075 0.000 0.802 695 A HN 0.635 nan 8.150 nan 0.000 0.467 696 N N 0.681 119.313 118.700 -0.112 0.000 2.132 696 N HA -0.170 4.562 4.740 -0.014 0.000 0.191 696 N C 1.594 176.981 175.510 -0.206 0.000 1.015 696 N CA 1.676 54.651 53.050 -0.125 0.000 0.864 696 N CB -0.692 37.760 38.487 -0.059 0.000 1.006 696 N HN 0.296 nan 8.380 nan 0.000 0.430 697 V N 1.258 121.091 119.914 -0.136 0.000 2.287 697 V HA -0.215 3.897 4.120 -0.014 0.000 0.248 697 V C 2.006 178.028 176.094 -0.119 0.000 1.053 697 V CA 1.718 63.940 62.300 -0.130 0.000 1.027 697 V CB -0.491 31.288 31.823 -0.074 0.000 0.646 697 V HN 0.356 nan 8.190 nan 0.000 0.447 698 E N -0.631 119.549 120.200 -0.032 0.000 2.158 698 E HA -0.124 4.217 4.350 -0.014 0.000 0.191 698 E C 2.218 178.925 176.600 0.179 0.000 0.982 698 E CA 1.013 57.472 56.400 0.098 0.000 0.823 698 E CB -0.185 29.661 29.700 0.243 0.000 0.766 698 E HN 0.535 nan 8.360 nan 0.000 0.468 699 M N 0.620 120.210 119.600 -0.017 0.000 2.067 699 M HA -0.170 4.301 4.480 -0.014 0.000 0.260 699 M C 2.531 178.528 176.300 -0.506 0.000 1.069 699 M CA 1.669 56.874 55.300 -0.159 0.000 1.117 699 M CB -0.272 32.132 32.600 -0.326 0.000 1.334 699 M HN 0.146 nan 8.290 nan 0.000 0.407 700 A N -0.052 122.175 122.820 -0.988 0.000 1.908 700 A HA -0.242 4.069 4.320 -0.014 0.000 0.218 700 A C 1.988 179.337 177.584 -0.391 0.000 1.181 700 A CA 2.097 53.505 52.037 -1.048 0.000 0.627 700 A CB -0.898 17.636 19.000 -0.777 0.000 0.818 700 A HN 0.613 nan 8.150 nan 0.000 0.445 701 E N -0.446 119.616 120.200 -0.230 0.000 2.077 701 E HA -0.227 4.114 4.350 -0.014 0.000 0.193 701 E C 1.806 178.371 176.600 -0.058 0.000 0.989 701 E CA 1.335 57.670 56.400 -0.108 0.000 0.800 701 E CB -0.091 29.569 29.700 -0.066 0.000 0.746 701 E HN 0.563 nan 8.360 nan 0.000 0.452 702 E N 0.088 120.279 120.200 -0.015 0.000 2.072 702 E HA -0.133 4.209 4.350 -0.014 0.000 0.191 702 E C 1.875 178.501 176.600 0.043 0.000 0.985 702 E CA 1.176 57.595 56.400 0.031 0.000 0.801 702 E CB -0.187 29.582 29.700 0.114 0.000 0.750 702 E HN 0.384 nan 8.360 nan 0.000 0.452 703 A N 0.353 123.210 122.820 0.062 0.000 2.072 703 A HA 0.333 4.645 4.320 -0.014 0.000 0.216 703 A C 1.054 178.673 177.584 0.059 0.000 1.156 703 A CA 1.085 53.191 52.037 0.114 0.000 0.701 703 A CB -0.015 19.163 19.000 0.296 0.000 0.816 703 A HN 0.255 nan 8.150 nan 0.000 0.458 704 G N -0.562 108.239 108.800 0.002 0.000 3.055 704 G HA2 -0.106 3.845 3.960 -0.014 0.000 0.686 704 G HA3 -0.106 3.845 3.960 -0.014 0.000 0.686 704 G C -0.008 174.886 174.900 -0.009 0.000 1.087 704 G CA 0.002 45.094 45.100 -0.013 0.000 0.779 704 G HN 0.253 nan 8.290 nan 0.000 0.599 705 E N 0.986 121.162 120.200 -0.040 0.000 2.209 705 E HA -0.159 4.182 4.350 -0.014 0.000 0.196 705 E C 2.067 178.659 176.600 -0.013 0.000 0.993 705 E CA 1.709 58.090 56.400 -0.032 0.000 0.819 705 E CB 0.079 29.756 29.700 -0.039 0.000 0.745 705 E HN 0.776 nan 8.360 nan 0.000 0.477 706 E N 0.785 120.968 120.200 -0.029 0.000 2.265 706 E HA -0.113 4.228 4.350 -0.014 0.000 0.196 706 E C 1.053 177.573 176.600 -0.133 0.000 0.996 706 E CA 0.728 57.091 56.400 -0.062 0.000 0.832 706 E CB -0.033 29.642 29.700 -0.042 0.000 0.756 706 E HN 0.159 nan 8.360 nan 0.000 0.491 707 N N -0.368 118.283 118.700 -0.081 0.000 2.251 707 N HA 0.138 4.870 4.740 -0.014 0.000 0.217 707 N C -0.880 174.510 175.510 -0.200 0.000 1.124 707 N CA 0.134 53.093 53.050 -0.152 0.000 0.843 707 N CB 0.396 38.857 38.487 -0.043 0.000 1.024 707 N HN 0.041 nan 8.380 nan 0.000 0.501 708 F N -0.415 119.292 119.950 -0.404 0.000 2.577 708 F HA 0.421 4.939 4.527 -0.015 0.000 0.318 708 F C -0.485 175.036 175.800 -0.466 0.000 1.065 708 F CA -1.110 56.666 58.000 -0.373 0.000 0.929 708 F CB 1.220 40.123 39.000 -0.162 0.000 1.237 708 F HN -0.215 nan 8.300 nan 0.000 0.468 709 F N 4.070 124.076 119.950 0.093 0.000 2.359 709 F HA 0.445 4.963 4.527 -0.014 0.000 0.355 709 F C -0.179 175.760 175.800 0.232 0.000 1.132 709 F CA -0.491 57.575 58.000 0.110 0.000 1.246 709 F CB -0.092 38.923 39.000 0.025 0.000 1.569 709 F HN 0.054 nan 8.300 nan 0.000 0.561 710 I N 3.974 124.739 120.570 0.326 0.000 2.365 710 I HA 0.409 4.570 4.170 -0.014 0.000 0.291 710 I C -0.241 176.055 176.117 0.299 0.000 1.004 710 I CA -0.645 60.805 61.300 0.251 0.000 1.311 710 I CB 0.790 38.855 38.000 0.108 0.000 1.401 710 I HN 0.345 nan 8.210 nan 0.000 0.491 711 F N 3.663 123.670 119.950 0.095 0.000 2.664 711 F HA 0.954 5.472 4.527 -0.015 0.000 0.317 711 F C 0.073 175.907 175.800 0.056 0.000 1.108 711 F CA -0.708 57.341 58.000 0.081 0.000 0.957 711 F CB 0.949 40.013 39.000 0.107 0.000 1.365 711 F HN 0.776 nan 8.300 nan 0.000 0.475 712 G N 0.889 109.739 108.800 0.084 0.000 2.757 712 G HA2 -0.081 3.870 3.960 -0.014 0.000 0.638 712 G HA3 -0.081 3.870 3.960 -0.014 0.000 0.638 712 G C -0.885 173.978 174.900 -0.062 0.000 1.344 712 G CA -0.626 44.459 45.100 -0.025 0.000 0.855 712 G HN 0.953 nan 8.290 nan 0.000 0.537 713 M N 0.877 120.452 119.600 -0.042 0.000 2.249 713 M HA 0.207 4.678 4.480 -0.014 0.000 0.340 713 M C 1.212 177.471 176.300 -0.069 0.000 1.166 713 M CA 0.063 55.347 55.300 -0.028 0.000 1.115 713 M CB 0.270 32.864 32.600 -0.011 0.000 1.606 713 M HN 0.518 nan 8.290 nan 0.000 0.448 714 R N 1.776 122.250 120.500 -0.043 0.000 2.546 714 R HA 0.250 4.582 4.340 -0.014 0.000 0.266 714 R C 1.243 177.520 176.300 -0.037 0.000 1.086 714 R CA -0.584 55.486 56.100 -0.049 0.000 1.160 714 R CB -0.064 30.214 30.300 -0.035 0.000 1.138 714 R HN 0.580 nan 8.270 nan 0.000 0.567 715 V N 1.577 121.468 119.914 -0.039 0.000 2.278 715 V HA -0.306 3.806 4.120 -0.014 0.000 0.251 715 V C 1.897 177.979 176.094 -0.021 0.000 1.062 715 V CA 2.194 64.476 62.300 -0.031 0.000 1.038 715 V CB -0.452 31.351 31.823 -0.033 0.000 0.646 715 V HN 0.646 nan 8.190 nan 0.000 0.447 716 E N -0.009 120.181 120.200 -0.017 0.000 2.110 716 E HA -0.185 4.156 4.350 -0.014 0.000 0.193 716 E C 1.942 178.545 176.600 0.003 0.000 0.988 716 E CA 1.389 57.785 56.400 -0.008 0.000 0.804 716 E CB -0.347 29.349 29.700 -0.007 0.000 0.745 716 E HN 0.644 nan 8.360 nan 0.000 0.458 717 D N -0.181 120.222 120.400 0.006 0.000 2.144 717 D HA -0.089 4.543 4.640 -0.014 0.000 0.200 717 D C 1.969 178.284 176.300 0.026 0.000 0.978 717 D CA 0.750 54.764 54.000 0.024 0.000 0.833 717 D CB -0.066 40.751 40.800 0.028 0.000 0.961 717 D HN 0.070 nan 8.370 nan 0.000 0.470 718 V N 1.824 121.741 119.914 0.004 0.000 2.295 718 V HA -0.212 3.900 4.120 -0.014 0.000 0.246 718 V C 1.946 178.041 176.094 0.002 0.000 1.049 718 V CA 1.694 63.990 62.300 -0.007 0.000 1.024 718 V CB -0.422 31.385 31.823 -0.026 0.000 0.648 718 V HN 0.012 nan 8.190 nan 0.000 0.447 719 D N -0.108 120.292 120.400 0.000 0.000 2.123 719 D HA -0.158 4.473 4.640 -0.014 0.000 0.196 719 D C 2.404 178.715 176.300 0.019 0.000 0.992 719 D CA 1.237 55.239 54.000 0.003 0.000 0.833 719 D CB -0.282 40.516 40.800 -0.004 0.000 0.954 719 D HN 0.312 nan 8.370 nan 0.000 0.455 720 R N -0.061 120.455 120.500 0.027 0.000 2.096 720 R HA -0.014 4.317 4.340 -0.014 0.000 0.235 720 R C 2.423 178.759 176.300 0.060 0.000 1.127 720 R CA 0.512 56.636 56.100 0.039 0.000 0.968 720 R CB -0.272 30.052 30.300 0.041 0.000 0.861 720 R HN 0.207 nan 8.270 nan 0.000 0.440 721 L N 0.371 121.639 121.223 0.075 0.000 2.109 721 L HA -0.174 4.157 4.340 -0.014 0.000 0.207 721 L C 1.373 178.310 176.870 0.113 0.000 1.086 721 L CA 1.228 56.140 54.840 0.121 0.000 0.760 721 L CB -0.202 41.949 42.059 0.152 0.000 0.910 721 L HN 0.214 nan 8.230 nan 0.000 0.437 722 D N -0.455 119.985 120.400 0.066 0.000 2.144 722 D HA -0.198 4.433 4.640 -0.014 0.000 0.199 722 D C 2.207 178.537 176.300 0.050 0.000 0.984 722 D CA 1.102 55.133 54.000 0.052 0.000 0.834 722 D CB 0.036 40.845 40.800 0.016 0.000 0.955 722 D HN 0.423 nan 8.370 nan 0.000 0.465 723 Q N -0.007 119.818 119.800 0.043 0.000 2.079 723 Q HA -0.092 4.239 4.340 -0.014 0.000 0.200 723 Q C 2.248 178.274 176.000 0.043 0.000 0.974 723 Q CA 0.881 56.706 55.803 0.036 0.000 0.840 723 Q CB 0.032 28.787 28.738 0.028 0.000 0.898 723 Q HN 0.143 nan 8.270 nan 0.000 0.430 724 R N 0.136 120.669 120.500 0.055 0.000 2.092 724 R HA -0.031 4.300 4.340 -0.014 0.000 0.231 724 R C -0.079 176.260 176.300 0.064 0.000 1.119 724 R CA 1.195 57.329 56.100 0.057 0.000 0.970 724 R CB 0.067 30.407 30.300 0.068 0.000 0.864 724 R HN 0.238 nan 8.270 nan 0.000 0.440 725 G N -0.183 108.670 108.800 0.088 0.000 3.444 725 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.685 725 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.685 725 G C -1.340 173.650 174.900 0.151 0.000 1.145 725 G CA -0.263 44.898 45.100 0.101 0.000 0.973 725 G HN 0.316 nan 8.290 nan 0.000 0.525 726 Y N 3.673 124.008 120.300 0.058 0.000 2.537 726 Y HA 0.462 5.004 4.550 -0.014 0.000 0.339 726 Y C 0.595 176.555 175.900 0.099 0.000 1.066 726 Y CA -0.308 57.847 58.100 0.091 0.000 1.357 726 Y CB 0.702 39.198 38.460 0.060 0.000 1.175 726 Y HN 0.574 nan 8.280 nan 0.000 0.525 727 N N 5.202 123.688 118.700 -0.357 0.000 2.564 727 N HA 0.350 5.081 4.740 -0.014 0.000 0.248 727 N C 0.191 175.453 175.510 -0.413 0.000 0.986 727 N CA 0.187 53.037 53.050 -0.333 0.000 0.921 727 N CB 1.202 39.616 38.487 -0.121 0.000 1.136 727 N HN 0.867 nan 8.380 nan 0.000 0.509 728 A N 2.972 125.468 122.820 -0.539 0.000 1.969 728 A HA -0.199 4.112 4.320 -0.014 0.000 0.218 728 A C 1.997 179.708 177.584 0.211 0.000 1.169 728 A CA 1.210 53.145 52.037 -0.171 0.000 0.635 728 A CB -0.350 18.466 19.000 -0.307 0.000 0.810 728 A HN 0.767 nan 8.150 nan 0.000 0.445 729 Q N 0.307 120.129 119.800 0.037 0.000 2.152 729 Q HA -0.240 4.092 4.340 -0.014 0.000 0.206 729 Q C 1.874 177.950 176.000 0.126 0.000 0.985 729 Q CA 2.301 58.148 55.803 0.073 0.000 0.863 729 Q CB -0.363 28.373 28.738 -0.003 0.000 0.904 729 Q HN 0.773 nan 8.270 nan 0.000 0.422 730 E N -1.313 118.897 120.200 0.016 0.000 2.070 730 E HA -0.264 4.077 4.350 -0.014 0.000 0.197 730 E C 1.637 178.170 176.600 -0.112 0.000 1.004 730 E CA 1.708 58.043 56.400 -0.108 0.000 0.805 730 E CB -0.283 29.243 29.700 -0.289 0.000 0.744 730 E HN 0.606 nan 8.360 nan 0.000 0.451 731 Y N -1.161 119.207 120.300 0.114 0.000 2.200 731 Y HA -0.216 4.326 4.550 -0.014 0.000 0.290 731 Y C 2.253 178.156 175.900 0.005 0.000 1.137 731 Y CA 1.539 59.694 58.100 0.091 0.000 1.163 731 Y CB -0.663 37.903 38.460 0.176 0.000 0.988 731 Y HN 0.254 nan 8.280 nan 0.000 0.518 732 Y N 1.284 121.619 120.300 0.059 0.000 2.224 732 Y HA -0.258 4.284 4.550 -0.014 0.000 0.289 732 Y C 1.827 177.700 175.900 -0.045 0.000 1.146 732 Y CA 1.759 59.820 58.100 -0.065 0.000 1.182 732 Y CB -0.398 38.079 38.460 0.028 0.000 0.983 732 Y HN 0.076 nan 8.280 nan 0.000 0.524 733 D N -0.234 120.265 120.400 0.164 0.000 2.144 733 D HA -0.109 4.523 4.640 -0.014 0.000 0.200 733 D C 1.806 178.085 176.300 -0.036 0.000 0.978 733 D CA 1.330 55.367 54.000 0.062 0.000 0.833 733 D CB -0.094 40.755 40.800 0.081 0.000 0.961 733 D HN 0.485 nan 8.370 nan 0.000 0.470 734 R N -0.310 120.169 120.500 -0.034 0.000 2.334 734 R HA 0.292 4.623 4.340 -0.014 0.000 0.212 734 R C 0.307 176.589 176.300 -0.030 0.000 0.897 734 R CA 0.044 56.124 56.100 -0.034 0.000 1.056 734 R CB 1.161 31.440 30.300 -0.034 0.000 1.046 734 R HN 0.136 nan 8.270 nan 0.000 0.513 735 I N 2.211 122.746 120.570 -0.059 0.000 2.464 735 I HA 0.230 4.392 4.170 -0.014 0.000 0.277 735 I C -1.960 174.068 176.117 -0.148 0.000 1.040 735 I CA -2.343 58.925 61.300 -0.054 0.000 1.153 735 I CB 2.100 40.104 38.000 0.006 0.000 1.274 735 I HN -0.287 nan 8.210 nan 0.000 0.469 736 P HA -0.158 nan 4.420 nan 0.000 0.216 736 P C 1.201 178.408 177.300 -0.154 0.000 1.150 736 P CA 1.349 64.359 63.100 -0.149 0.000 0.837 736 P CB 0.316 31.961 31.700 -0.092 0.000 0.786 737 E N -0.961 119.185 120.200 -0.089 0.000 2.110 737 E HA -0.165 4.177 4.350 -0.014 0.000 0.193 737 E C 1.865 178.371 176.600 -0.157 0.000 0.988 737 E CA 0.723 57.087 56.400 -0.060 0.000 0.804 737 E CB -0.598 29.139 29.700 0.062 0.000 0.745 737 E HN 0.118 nan 8.360 nan 0.000 0.458 738 L N 1.278 122.318 121.223 -0.306 0.000 2.056 738 L HA -0.135 4.197 4.340 -0.014 0.000 0.207 738 L C 2.363 178.966 176.870 -0.445 0.000 1.078 738 L CA 1.617 56.105 54.840 -0.586 0.000 0.749 738 L CB -0.317 41.239 42.059 -0.839 0.000 0.901 738 L HN -0.081 nan 8.230 nan 0.000 0.433 739 R N -0.824 119.389 120.500 -0.477 0.000 2.083 739 R HA -0.253 4.079 4.340 -0.014 0.000 0.237 739 R C 2.410 178.541 176.300 -0.283 0.000 1.137 739 R CA 2.090 57.820 56.100 -0.616 0.000 0.951 739 R CB -0.386 29.476 30.300 -0.730 0.000 0.851 739 R HN 0.604 nan 8.270 nan 0.000 0.434 740 Q N 0.385 120.058 119.800 -0.213 0.000 2.096 740 Q HA -0.188 4.144 4.340 -0.014 0.000 0.204 740 Q C 2.079 178.026 176.000 -0.088 0.000 0.982 740 Q CA 1.935 57.659 55.803 -0.132 0.000 0.850 740 Q CB -0.099 28.563 28.738 -0.127 0.000 0.901 740 Q HN 0.483 nan 8.270 nan 0.000 0.422 741 I N 0.556 121.072 120.570 -0.090 0.000 2.226 741 I HA -0.279 3.883 4.170 -0.014 0.000 0.245 741 I C 2.089 178.231 176.117 0.042 0.000 1.100 741 I CA 0.596 61.883 61.300 -0.021 0.000 1.374 741 I CB -0.280 37.680 38.000 -0.067 0.000 1.057 741 I HN 0.294 nan 8.210 nan 0.000 0.413 742 I N 0.860 121.456 120.570 0.044 0.000 2.252 742 I HA -0.227 3.935 4.170 -0.014 0.000 0.245 742 I C 2.444 178.665 176.117 0.173 0.000 1.102 742 I CA 1.612 63.008 61.300 0.160 0.000 1.385 742 I CB -1.268 36.924 38.000 0.321 0.000 1.064 742 I HN 0.333 nan 8.210 nan 0.000 0.414 743 E N 0.419 120.699 120.200 0.135 0.000 2.077 743 E HA -0.245 4.096 4.350 -0.014 0.000 0.193 743 E C 2.183 178.849 176.600 0.111 0.000 0.989 743 E CA 1.058 57.527 56.400 0.115 0.000 0.800 743 E CB -0.146 29.590 29.700 0.059 0.000 0.746 743 E HN 0.566 nan 8.360 nan 0.000 0.452 744 Q N 0.474 120.321 119.800 0.079 0.000 2.050 744 Q HA -0.156 4.176 4.340 -0.014 0.000 0.202 744 Q C 2.380 178.563 176.000 0.305 0.000 0.980 744 Q CA 1.100 56.966 55.803 0.104 0.000 0.840 744 Q CB -0.091 28.633 28.738 -0.023 0.000 0.898 744 Q HN 0.304 nan 8.270 nan 0.000 0.424 745 L N -0.108 121.303 121.223 0.313 0.000 2.017 745 L HA -0.209 4.122 4.340 -0.014 0.000 0.208 745 L C 2.494 179.550 176.870 0.309 0.000 1.073 745 L CA 1.063 56.103 54.840 0.334 0.000 0.745 745 L CB -0.424 41.747 42.059 0.186 0.000 0.894 745 L HN 0.157 nan 8.230 nan 0.000 0.432 746 S N -0.245 115.591 115.700 0.227 0.000 2.368 746 S HA -0.162 4.300 4.470 -0.014 0.000 0.225 746 S C 2.076 176.780 174.600 0.173 0.000 1.030 746 S CA 1.605 59.918 58.200 0.188 0.000 0.999 746 S CB -0.245 63.046 63.200 0.152 0.000 0.844 746 S HN 0.610 nan 8.310 nan 0.000 0.459 747 S N 0.366 116.168 115.700 0.171 0.000 2.522 747 S HA 0.295 4.757 4.470 -0.014 0.000 0.227 747 S C 1.399 176.090 174.600 0.151 0.000 0.986 747 S CA 0.743 59.029 58.200 0.143 0.000 0.929 747 S CB -0.092 63.185 63.200 0.129 0.000 0.769 747 S HN 0.850 nan 8.310 nan 0.000 0.529 748 G N 0.506 109.428 108.800 0.204 0.000 2.131 748 G HA2 -0.268 3.683 3.960 -0.014 0.000 0.201 748 G HA3 -0.268 3.683 3.960 -0.014 0.000 0.201 748 G C 0.146 175.138 174.900 0.154 0.000 1.000 748 G CA 0.089 45.299 45.100 0.183 0.000 0.680 748 G HN 0.495 nan 8.290 nan 0.000 0.514 749 F N 0.277 120.231 119.950 0.007 0.000 2.161 749 F HA 0.166 4.685 4.527 -0.014 0.000 0.300 749 F C 1.933 177.537 175.800 -0.326 0.000 1.089 749 F CA 2.049 59.924 58.000 -0.208 0.000 1.282 749 F CB -0.048 38.735 39.000 -0.362 0.000 1.010 749 F HN 0.183 nan 8.300 nan 0.000 0.485 750 F N -0.357 119.738 119.950 0.241 0.000 2.727 750 F HA 0.194 4.712 4.527 -0.014 0.000 0.302 750 F C 0.607 176.520 175.800 0.188 0.000 1.097 750 F CA 0.215 58.310 58.000 0.159 0.000 1.330 750 F CB -0.173 38.924 39.000 0.161 0.000 1.084 750 F HN -0.061 nan 8.300 nan 0.000 0.578 751 S N -1.700 114.152 115.700 0.253 0.000 2.386 751 S HA 0.320 4.781 4.470 -0.014 0.000 0.152 751 S C -2.493 172.127 174.600 0.033 0.000 1.511 751 S CA -1.050 57.221 58.200 0.120 0.000 1.246 751 S CB 1.052 64.278 63.200 0.044 0.000 1.338 751 S HN -0.183 nan 8.310 nan 0.000 0.409 752 P HA -0.046 nan 4.420 nan 0.000 0.216 752 P C 1.277 178.565 177.300 -0.020 0.000 1.153 752 P CA 1.114 64.189 63.100 -0.041 0.000 0.848 752 P CB 0.151 31.801 31.700 -0.083 0.000 0.787 753 K N -0.779 119.611 120.400 -0.017 0.000 2.155 753 K HA -0.044 4.268 4.320 -0.014 0.000 0.203 753 K C 0.679 177.276 176.600 -0.005 0.000 1.052 753 K CA 0.970 57.251 56.287 -0.010 0.000 0.948 753 K CB -0.043 32.453 32.500 -0.007 0.000 0.728 753 K HN 0.339 nan 8.250 nan 0.000 0.448 754 Q N 0.340 120.135 119.800 -0.008 0.000 2.907 754 Q HA 0.151 4.482 4.340 -0.014 0.000 0.262 754 Q C -2.210 173.781 176.000 -0.015 0.000 0.997 754 Q CA -1.610 54.184 55.803 -0.015 0.000 0.797 754 Q CB 1.349 30.071 28.738 -0.027 0.000 1.228 754 Q HN -0.018 nan 8.270 nan 0.000 0.466 755 P HA -0.227 nan 4.420 nan 0.000 0.217 755 P C 0.491 177.826 177.300 0.058 0.000 1.148 755 P CA 1.525 64.652 63.100 0.045 0.000 0.828 755 P CB 0.259 31.986 31.700 0.045 0.000 0.783 756 D N -1.015 119.403 120.400 0.031 0.000 2.342 756 D HA -0.019 4.613 4.640 -0.014 0.000 0.221 756 D C 1.702 178.002 176.300 0.001 0.000 1.101 756 D CA -0.342 53.684 54.000 0.043 0.000 0.837 756 D CB -0.670 40.157 40.800 0.045 0.000 0.938 756 D HN -0.008 nan 8.370 nan 0.000 0.508 757 L N 0.034 121.191 121.223 -0.110 0.000 2.051 757 L HA -0.096 4.236 4.340 -0.014 0.000 0.214 757 L C 1.216 177.890 176.870 -0.327 0.000 1.076 757 L CA 1.718 56.376 54.840 -0.303 0.000 0.758 757 L CB -0.664 41.023 42.059 -0.621 0.000 0.890 757 L HN 0.001 nan 8.230 nan 0.000 0.433 758 F N -0.713 119.295 119.950 0.097 0.000 2.639 758 F HA 0.123 4.642 4.527 -0.014 0.000 0.300 758 F C 1.853 177.705 175.800 0.087 0.000 1.109 758 F CA -0.100 57.947 58.000 0.077 0.000 1.335 758 F CB -0.309 38.725 39.000 0.058 0.000 1.014 758 F HN 0.112 nan 8.300 nan 0.000 0.537 759 K N -0.319 120.201 120.400 0.200 0.000 2.103 759 K HA -0.191 4.120 4.320 -0.014 0.000 0.207 759 K C 1.042 177.746 176.600 0.172 0.000 1.048 759 K CA 1.964 58.352 56.287 0.167 0.000 0.930 759 K CB -0.286 32.289 32.500 0.126 0.000 0.716 759 K HN 0.062 nan 8.250 nan 0.000 0.444 760 D N 1.323 121.838 120.400 0.192 0.000 2.123 760 D HA -0.114 4.518 4.640 -0.014 0.000 0.196 760 D C 2.039 178.442 176.300 0.173 0.000 0.992 760 D CA 1.277 55.403 54.000 0.211 0.000 0.833 760 D CB -0.137 40.828 40.800 0.275 0.000 0.954 760 D HN 0.316 nan 8.370 nan 0.000 0.455 761 I N 0.447 121.116 120.570 0.165 0.000 2.202 761 I HA -0.212 3.949 4.170 -0.014 0.000 0.242 761 I C 2.452 178.596 176.117 0.046 0.000 1.091 761 I CA 0.594 61.951 61.300 0.094 0.000 1.368 761 I CB -0.266 37.791 38.000 0.095 0.000 1.058 761 I HN -0.112 nan 8.210 nan 0.000 0.410 762 V N 1.221 121.189 119.914 0.091 0.000 2.295 762 V HA -0.306 3.805 4.120 -0.014 0.000 0.246 762 V C 2.236 178.331 176.094 0.001 0.000 1.049 762 V CA 2.444 64.783 62.300 0.065 0.000 1.024 762 V CB -1.017 30.873 31.823 0.112 0.000 0.648 762 V HN 0.477 nan 8.190 nan 0.000 0.447 763 N N -0.190 118.549 118.700 0.065 0.000 2.084 763 N HA -0.217 4.515 4.740 -0.014 0.000 0.190 763 N C 1.870 177.355 175.510 -0.043 0.000 1.030 763 N CA 1.808 54.934 53.050 0.126 0.000 0.849 763 N CB -0.269 38.359 38.487 0.235 0.000 1.012 763 N HN 0.323 nan 8.380 nan 0.000 0.423 764 M N -0.167 119.306 119.600 -0.211 0.000 2.086 764 M HA -0.117 4.355 4.480 -0.014 0.000 0.261 764 M C 1.429 177.441 176.300 -0.480 0.000 1.067 764 M CA 1.331 56.198 55.300 -0.721 0.000 1.116 764 M CB -0.649 31.715 32.600 -0.395 0.000 1.348 764 M HN 0.223 nan 8.290 nan 0.000 0.407 765 L N 0.646 121.676 121.223 -0.321 0.000 2.042 765 L HA -0.210 4.121 4.340 -0.014 0.000 0.210 765 L C 2.462 178.977 176.870 -0.592 0.000 1.076 765 L CA 1.669 56.238 54.840 -0.452 0.000 0.749 765 L CB -1.154 40.694 42.059 -0.351 0.000 0.893 765 L HN 0.352 nan 8.230 nan 0.000 0.432 766 M N -1.997 117.324 119.600 -0.464 0.000 2.288 766 M HA -0.072 4.399 4.480 -0.014 0.000 0.266 766 M C 1.834 177.742 176.300 -0.654 0.000 1.072 766 M CA 1.381 56.327 55.300 -0.590 0.000 1.132 766 M CB -0.729 31.427 32.600 -0.741 0.000 1.386 766 M HN 0.348 nan 8.290 nan 0.000 0.432 767 H N -2.146 116.862 119.070 -0.104 0.000 2.735 767 H HA 0.173 4.721 4.556 -0.014 0.000 0.250 767 H C 0.323 175.698 175.328 0.079 0.000 0.948 767 H CA 0.741 56.790 56.048 0.002 0.000 1.137 767 H CB 0.136 29.947 29.762 0.082 0.000 1.440 767 H HN 0.580 nan 8.280 nan 0.000 0.444 768 H N -0.983 118.145 119.070 0.096 0.000 2.674 768 H HA 0.299 4.847 4.556 -0.014 0.000 0.235 768 H C -0.993 174.357 175.328 0.035 0.000 1.330 768 H CA -0.586 55.504 56.048 0.071 0.000 1.052 768 H CB 0.104 29.910 29.762 0.072 0.000 1.954 768 H HN -0.126 nan 8.280 nan 0.000 0.566 769 D N 1.470 121.854 120.400 -0.025 0.000 2.393 769 D HA 0.104 4.735 4.640 -0.014 0.000 0.232 769 D C 0.876 177.100 176.300 -0.127 0.000 1.192 769 D CA -0.387 53.574 54.000 -0.065 0.000 0.882 769 D CB 0.687 41.434 40.800 -0.089 0.000 1.038 769 D HN 0.467 nan 8.370 nan 0.000 0.499 770 R N 2.279 122.614 120.500 -0.276 0.000 2.237 770 R HA -0.057 4.274 4.340 -0.014 0.000 0.219 770 R C 0.589 176.391 176.300 -0.829 0.000 1.080 770 R CA 0.907 56.627 56.100 -0.633 0.000 0.995 770 R CB 0.086 29.781 30.300 -1.008 0.000 0.875 770 R HN 0.415 nan 8.270 nan 0.000 0.462 771 F N 0.178 120.067 119.950 -0.102 0.000 2.654 771 F HA 0.277 4.796 4.527 -0.014 0.000 0.303 771 F C 0.057 175.724 175.800 -0.223 0.000 1.099 771 F CA -0.679 57.252 58.000 -0.116 0.000 1.270 771 F CB 0.258 39.249 39.000 -0.015 0.000 1.024 771 F HN -0.252 nan 8.300 nan 0.000 0.548 772 K N -0.355 119.841 120.400 -0.340 0.000 3.148 772 K HA -0.178 4.134 4.320 -0.014 0.000 0.267 772 K C 0.995 177.472 176.600 -0.206 0.000 0.996 772 K CA 0.208 56.117 56.287 -0.629 0.000 0.737 772 K CB -1.877 30.203 32.500 -0.700 0.000 1.308 772 K HN 0.213 nan 8.250 nan 0.000 0.470 773 V N -0.017 119.858 119.914 -0.066 0.000 2.282 773 V HA -0.297 3.814 4.120 -0.014 0.000 0.249 773 V C 1.950 178.185 176.094 0.234 0.000 1.057 773 V CA 2.376 64.721 62.300 0.075 0.000 1.032 773 V CB -0.492 31.381 31.823 0.082 0.000 0.645 773 V HN 0.488 nan 8.190 nan 0.000 0.447 774 F N 0.162 120.108 119.950 -0.007 0.000 2.171 774 F HA -0.189 4.329 4.527 -0.014 0.000 0.300 774 F C 2.502 178.089 175.800 -0.356 0.000 1.090 774 F CA 0.668 58.611 58.000 -0.095 0.000 1.293 774 F CB -0.353 38.614 39.000 -0.054 0.000 1.013 774 F HN 0.198 nan 8.300 nan 0.000 0.486 775 A N -0.637 122.017 122.820 -0.278 0.000 2.070 775 A HA -0.183 4.129 4.320 -0.014 0.000 0.220 775 A C 1.424 178.989 177.584 -0.033 0.000 1.159 775 A CA 1.774 53.556 52.037 -0.424 0.000 0.656 775 A CB -0.425 18.483 19.000 -0.154 0.000 0.800 775 A HN 0.233 nan 8.150 nan 0.000 0.453 776 D N -2.812 117.633 120.400 0.074 0.000 2.369 776 D HA 0.088 4.720 4.640 -0.014 0.000 0.211 776 D C 1.142 177.602 176.300 0.266 0.000 1.077 776 D CA -0.043 54.076 54.000 0.200 0.000 0.842 776 D CB -0.102 40.826 40.800 0.212 0.000 0.947 776 D HN 0.589 nan 8.370 nan 0.000 0.509 777 Y N 2.104 122.476 120.300 0.120 0.000 2.097 777 Y HA -0.211 4.331 4.550 -0.014 0.000 0.282 777 Y C 2.103 178.078 175.900 0.125 0.000 1.152 777 Y CA 1.874 60.053 58.100 0.132 0.000 1.136 777 Y CB 0.183 38.681 38.460 0.063 0.000 0.975 777 Y HN -0.117 nan 8.280 nan 0.000 0.498 778 E N 0.010 120.271 120.200 0.101 0.000 2.038 778 E HA -0.251 4.091 4.350 -0.014 0.000 0.195 778 E C 2.178 178.744 176.600 -0.058 0.000 1.000 778 E CA 1.641 58.031 56.400 -0.016 0.000 0.803 778 E CB -0.192 29.594 29.700 0.143 0.000 0.750 778 E HN 0.630 nan 8.360 nan 0.000 0.448 779 E N -0.241 119.999 120.200 0.067 0.000 2.153 779 E HA -0.202 4.139 4.350 -0.014 0.000 0.194 779 E C 1.924 178.512 176.600 -0.020 0.000 0.988 779 E CA 0.760 57.219 56.400 0.099 0.000 0.811 779 E CB -0.125 29.724 29.700 0.248 0.000 0.746 779 E HN 0.273 nan 8.360 nan 0.000 0.466 780 Y N 1.210 121.325 120.300 -0.308 0.000 2.163 780 Y HA -0.211 4.330 4.550 -0.014 0.000 0.288 780 Y C 2.149 177.661 175.900 -0.647 0.000 1.136 780 Y CA 0.959 58.562 58.100 -0.827 0.000 1.147 780 Y CB -0.503 37.529 38.460 -0.713 0.000 0.987 780 Y HN -0.212 nan 8.280 nan 0.000 0.509 781 V N 0.596 120.157 119.914 -0.589 0.000 2.343 781 V HA -0.324 3.788 4.120 -0.014 0.000 0.247 781 V C 2.272 178.129 176.094 -0.396 0.000 1.051 781 V CA 2.401 64.365 62.300 -0.560 0.000 1.036 781 V CB -0.599 30.903 31.823 -0.536 0.000 0.654 781 V HN 0.301 nan 8.190 nan 0.000 0.451 782 K N -0.914 119.318 120.400 -0.279 0.000 2.057 782 K HA -0.196 4.116 4.320 -0.014 0.000 0.207 782 K C 2.276 178.769 176.600 -0.178 0.000 1.049 782 K CA 1.696 57.881 56.287 -0.170 0.000 0.931 782 K CB -0.620 31.830 32.500 -0.083 0.000 0.714 782 K HN 0.526 nan 8.250 nan 0.000 0.440 783 C N 1.261 120.426 119.300 -0.226 0.000 2.425 783 C HA -0.089 4.363 4.460 -0.014 0.000 0.277 783 C C 2.576 177.361 174.990 -0.343 0.000 1.280 783 C CA 0.754 59.658 59.018 -0.190 0.000 1.744 783 C CB -0.636 27.017 27.740 -0.144 0.000 1.989 783 C HN 0.436 nan 8.230 nan 0.000 0.491 784 Q N 0.517 119.985 119.800 -0.553 0.000 2.170 784 Q HA -0.181 4.150 4.340 -0.014 0.000 0.203 784 Q C 1.986 177.780 176.000 -0.344 0.000 0.976 784 Q CA 1.690 57.135 55.803 -0.598 0.000 0.858 784 Q CB -0.420 27.725 28.738 -0.988 0.000 0.907 784 Q HN 0.760 nan 8.270 nan 0.000 0.433 785 E N 0.198 120.251 120.200 -0.245 0.000 2.110 785 E HA -0.150 4.192 4.350 -0.014 0.000 0.193 785 E C 2.085 178.622 176.600 -0.105 0.000 0.988 785 E CA 0.631 56.948 56.400 -0.139 0.000 0.804 785 E CB -0.048 29.592 29.700 -0.100 0.000 0.745 785 E HN 0.265 nan 8.360 nan 0.000 0.458 786 R N 0.420 120.853 120.500 -0.112 0.000 2.115 786 R HA -0.081 4.250 4.340 -0.014 0.000 0.230 786 R C 2.404 178.635 176.300 -0.114 0.000 1.111 786 R CA 0.839 56.920 56.100 -0.031 0.000 0.976 786 R CB -0.245 30.100 30.300 0.074 0.000 0.870 786 R HN 0.063 nan 8.270 nan 0.000 0.445 787 V N 0.468 120.132 119.914 -0.417 0.000 2.261 787 V HA -0.240 3.871 4.120 -0.014 0.000 0.246 787 V C 2.192 178.247 176.094 -0.065 0.000 1.047 787 V CA 1.954 63.930 62.300 -0.541 0.000 1.015 787 V CB -0.389 31.042 31.823 -0.653 0.000 0.642 787 V HN 0.277 nan 8.190 nan 0.000 0.446 788 S N 0.100 115.738 115.700 -0.104 0.000 2.370 788 S HA -0.204 4.257 4.470 -0.014 0.000 0.226 788 S C 2.206 176.849 174.600 0.072 0.000 1.033 788 S CA 1.482 59.661 58.200 -0.036 0.000 1.011 788 S CB -0.528 62.625 63.200 -0.078 0.000 0.852 788 S HN 0.655 nan 8.310 nan 0.000 0.457 789 A N 1.322 124.184 122.820 0.070 0.000 1.902 789 A HA -0.017 4.294 4.320 -0.014 0.000 0.217 789 A C 2.105 179.791 177.584 0.169 0.000 1.181 789 A CA 1.125 53.228 52.037 0.109 0.000 0.623 789 A CB -0.725 18.327 19.000 0.087 0.000 0.818 789 A HN 0.462 nan 8.150 nan 0.000 0.443 790 L N -2.042 119.333 121.223 0.253 0.000 2.093 790 L HA -0.161 4.171 4.340 -0.014 0.000 0.208 790 L C 2.474 179.604 176.870 0.433 0.000 1.085 790 L CA 1.826 56.897 54.840 0.383 0.000 0.755 790 L CB -0.415 41.979 42.059 0.558 0.000 0.904 790 L HN 0.613 nan 8.230 nan 0.000 0.435 791 Y N 0.852 121.266 120.300 0.190 0.000 2.352 791 Y HA -0.251 4.291 4.550 -0.013 0.000 0.292 791 Y C 2.423 178.249 175.900 -0.123 0.000 1.136 791 Y CA 1.494 59.457 58.100 -0.229 0.000 1.227 791 Y CB -0.022 38.077 38.460 -0.601 0.000 0.991 791 Y HN 0.051 nan 8.280 nan 0.000 0.545 792 K N -0.015 120.427 120.400 0.070 0.000 2.360 792 K HA -0.157 4.154 4.320 -0.014 0.000 0.201 792 K C 0.333 176.918 176.600 -0.025 0.000 1.046 792 K CA 0.906 57.217 56.287 0.039 0.000 0.945 792 K CB -0.111 32.452 32.500 0.105 0.000 0.750 792 K HN 0.049 nan 8.250 nan 0.000 0.464 793 N N 0.206 118.906 118.700 0.000 0.000 2.800 793 N HA 0.141 4.872 4.740 -0.014 0.000 0.240 793 N C -2.441 173.070 175.510 0.002 0.000 1.096 793 N CA -2.260 50.795 53.050 0.009 0.000 0.877 793 N CB 1.206 39.730 38.487 0.061 0.000 1.138 793 N HN -0.194 nan 8.380 nan 0.000 0.509 794 P HA -0.172 nan 4.420 nan 0.000 0.216 794 P C 1.365 178.676 177.300 0.017 0.000 1.153 794 P CA 1.126 64.154 63.100 -0.119 0.000 0.858 794 P CB 0.397 32.002 31.700 -0.158 0.000 0.789 795 R N 0.005 120.516 120.500 0.018 0.000 2.075 795 R HA -0.140 4.191 4.340 -0.014 0.000 0.232 795 R C 1.915 178.256 176.300 0.070 0.000 1.126 795 R CA 1.367 57.488 56.100 0.036 0.000 0.963 795 R CB -0.328 29.985 30.300 0.021 0.000 0.858 795 R HN 0.082 nan 8.270 nan 0.000 0.435 796 E N -0.069 120.184 120.200 0.088 0.000 2.158 796 E HA -0.202 4.140 4.350 -0.014 0.000 0.191 796 E C 1.593 178.273 176.600 0.134 0.000 0.982 796 E CA 0.542 56.999 56.400 0.095 0.000 0.823 796 E CB -0.413 29.341 29.700 0.091 0.000 0.766 796 E HN 0.501 nan 8.360 nan 0.000 0.468 797 W N 2.256 123.558 121.300 0.003 0.000 2.333 797 W HA -0.203 4.448 4.660 -0.015 0.000 0.316 797 W C 1.615 178.139 176.519 0.009 0.000 1.215 797 W CA 2.212 59.573 57.345 0.026 0.000 1.278 797 W CB -0.417 29.033 29.460 -0.016 0.000 1.154 797 W HN 0.035 nan 8.180 nan 0.000 0.486 798 T N 1.050 115.739 114.554 0.225 0.000 2.821 798 T HA -0.153 4.188 4.350 -0.014 0.000 0.267 798 T C 1.850 176.560 174.700 0.016 0.000 1.046 798 T CA 1.570 63.735 62.100 0.107 0.000 1.139 798 T CB -0.313 68.605 68.868 0.083 0.000 0.871 798 T HN 0.170 nan 8.240 nan 0.000 0.454 799 R N 0.428 120.944 120.500 0.026 0.000 2.096 799 R HA 0.079 4.411 4.340 -0.014 0.000 0.235 799 R C 2.516 178.803 176.300 -0.022 0.000 1.127 799 R CA 1.236 57.349 56.100 0.021 0.000 0.968 799 R CB -0.342 29.977 30.300 0.032 0.000 0.861 799 R HN 0.362 nan 8.270 nan 0.000 0.440 800 M N 0.446 119.996 119.600 -0.083 0.000 2.132 800 M HA -0.158 4.314 4.480 -0.014 0.000 0.263 800 M C 1.995 178.184 176.300 -0.185 0.000 1.065 800 M CA 1.443 56.647 55.300 -0.159 0.000 1.122 800 M CB 0.107 32.551 32.600 -0.261 0.000 1.365 800 M HN -0.012 nan 8.290 nan 0.000 0.411 801 V N 1.030 120.813 119.914 -0.218 0.000 2.252 801 V HA -0.339 3.772 4.120 -0.014 0.000 0.249 801 V C 2.219 178.281 176.094 -0.054 0.000 1.056 801 V CA 2.255 64.459 62.300 -0.160 0.000 1.022 801 V CB -0.673 31.084 31.823 -0.110 0.000 0.641 801 V HN 0.520 nan 8.190 nan 0.000 0.445 802 I N -0.637 119.929 120.570 -0.006 0.000 2.264 802 I HA -0.281 3.881 4.170 -0.014 0.000 0.248 802 I C 2.694 178.855 176.117 0.073 0.000 1.111 802 I CA 1.657 63.006 61.300 0.082 0.000 1.382 802 I CB -0.441 37.665 38.000 0.176 0.000 1.060 802 I HN 0.217 nan 8.210 nan 0.000 0.418 803 R N 0.382 120.900 120.500 0.030 0.000 2.115 803 R HA -0.109 4.223 4.340 -0.014 0.000 0.230 803 R C 2.041 178.367 176.300 0.043 0.000 1.111 803 R CA 1.160 57.279 56.100 0.030 0.000 0.976 803 R CB -0.414 29.889 30.300 0.005 0.000 0.870 803 R HN 0.540 nan 8.270 nan 0.000 0.445 804 N N 0.668 119.377 118.700 0.016 0.000 2.109 804 N HA -0.086 4.646 4.740 -0.014 0.000 0.188 804 N C 1.975 177.533 175.510 0.081 0.000 1.034 804 N CA 1.119 54.198 53.050 0.048 0.000 0.846 804 N CB -0.050 38.404 38.487 -0.054 0.000 1.010 804 N HN 0.111 nan 8.380 nan 0.000 0.425 805 I N 1.661 122.265 120.570 0.056 0.000 2.208 805 I HA -0.256 3.906 4.170 -0.014 0.000 0.245 805 I C 2.455 178.617 176.117 0.075 0.000 1.097 805 I CA 0.994 62.336 61.300 0.069 0.000 1.363 805 I CB -0.338 37.697 38.000 0.058 0.000 1.051 805 I HN 0.107 nan 8.210 nan 0.000 0.413 806 A N 0.273 123.136 122.820 0.073 0.000 2.067 806 A HA -0.158 4.154 4.320 -0.014 0.000 0.219 806 A C 2.093 179.712 177.584 0.058 0.000 1.158 806 A CA 2.024 54.095 52.037 0.057 0.000 0.661 806 A CB -0.827 18.210 19.000 0.062 0.000 0.801 806 A HN 0.541 nan 8.150 nan 0.000 0.452 807 T N -2.954 111.651 114.554 0.086 0.000 3.174 807 T HA 0.179 4.520 4.350 -0.014 0.000 0.269 807 T C 1.112 175.903 174.700 0.153 0.000 1.017 807 T CA 0.632 62.788 62.100 0.093 0.000 0.899 807 T CB -0.221 68.704 68.868 0.095 0.000 1.077 807 T HN 0.474 nan 8.240 nan 0.000 0.552 808 S N 0.068 115.874 115.700 0.177 0.000 2.593 808 S HA 0.249 4.710 4.470 -0.014 0.000 0.217 808 S C 2.149 176.880 174.600 0.218 0.000 0.966 808 S CA 0.221 58.599 58.200 0.297 0.000 0.914 808 S CB -0.591 62.757 63.200 0.246 0.000 0.776 808 S HN 0.529 nan 8.310 nan 0.000 0.523 809 G N 2.605 111.452 108.800 0.078 0.000 2.442 809 G HA2 -0.254 3.697 3.960 -0.014 0.000 0.219 809 G HA3 -0.254 3.697 3.960 -0.014 0.000 0.219 809 G C 1.314 176.166 174.900 -0.080 0.000 1.141 809 G CA 0.918 46.031 45.100 0.022 0.000 0.763 809 G HN 0.609 nan 8.290 nan 0.000 0.554 810 K N -0.170 120.058 120.400 -0.288 0.000 2.281 810 K HA -0.030 4.282 4.320 -0.014 0.000 0.203 810 K C 1.112 177.404 176.600 -0.513 0.000 1.046 810 K CA 0.766 56.743 56.287 -0.517 0.000 0.938 810 K CB -0.260 31.734 32.500 -0.843 0.000 0.737 810 K HN 0.421 nan 8.250 nan 0.000 0.458 811 F N 0.654 120.634 119.950 0.049 0.000 2.645 811 F HA 0.160 4.678 4.527 -0.015 0.000 0.300 811 F C 0.698 176.542 175.800 0.073 0.000 1.115 811 F CA -0.711 57.324 58.000 0.059 0.000 1.355 811 F CB 0.570 39.601 39.000 0.052 0.000 1.026 811 F HN -0.125 nan 8.300 nan 0.000 0.536 812 S N 0.420 116.211 115.700 0.152 0.000 2.528 812 S HA 0.052 4.514 4.470 -0.014 0.000 0.277 812 S C 1.470 176.153 174.600 0.139 0.000 1.297 812 S CA -0.153 58.127 58.200 0.135 0.000 1.052 812 S CB 0.794 64.043 63.200 0.080 0.000 0.917 812 S HN 0.369 nan 8.310 nan 0.000 0.492 813 S N 3.382 119.187 115.700 0.176 0.000 2.469 813 S HA -0.097 4.365 4.470 -0.014 0.000 0.238 813 S C 0.975 175.629 174.600 0.089 0.000 0.998 813 S CA 0.837 59.159 58.200 0.203 0.000 0.957 813 S CB -0.367 63.021 63.200 0.313 0.000 0.764 813 S HN 0.800 nan 8.310 nan 0.000 0.514 814 D N 1.838 122.275 120.400 0.062 0.000 2.117 814 D HA -0.085 4.546 4.640 -0.014 0.000 0.197 814 D C 2.103 178.407 176.300 0.006 0.000 0.987 814 D CA 0.798 54.811 54.000 0.023 0.000 0.829 814 D CB -0.341 40.470 40.800 0.019 0.000 0.961 814 D HN 0.300 nan 8.370 nan 0.000 0.460 815 R N 0.848 121.355 120.500 0.012 0.000 2.066 815 R HA -0.089 4.243 4.340 -0.014 0.000 0.232 815 R C 1.920 178.214 176.300 -0.011 0.000 1.131 815 R CA 1.431 57.525 56.100 -0.011 0.000 0.955 815 R CB -0.815 29.467 30.300 -0.031 0.000 0.851 815 R HN 0.115 nan 8.270 nan 0.000 0.432 816 T N 2.190 116.763 114.554 0.031 0.000 2.665 816 T HA -0.134 4.207 4.350 -0.014 0.000 0.268 816 T C 1.915 176.626 174.700 0.018 0.000 1.035 816 T CA 1.444 63.585 62.100 0.068 0.000 1.151 816 T CB -0.116 68.878 68.868 0.210 0.000 0.862 816 T HN 0.114 nan 8.240 nan 0.000 0.438 817 I N 1.534 122.035 120.570 -0.115 0.000 2.315 817 I HA -0.046 4.116 4.170 -0.014 0.000 0.248 817 I C 2.937 179.002 176.117 -0.087 0.000 1.117 817 I CA 0.862 62.045 61.300 -0.195 0.000 1.404 817 I CB -1.626 36.245 38.000 -0.215 0.000 1.071 817 I HN 0.191 nan 8.210 nan 0.000 0.419 818 A N 0.225 123.016 122.820 -0.049 0.000 1.940 818 A HA -0.255 4.056 4.320 -0.014 0.000 0.219 818 A C 2.259 179.796 177.584 -0.079 0.000 1.176 818 A CA 1.595 53.609 52.037 -0.038 0.000 0.631 818 A CB -0.586 18.399 19.000 -0.025 0.000 0.814 818 A HN 0.509 nan 8.150 nan 0.000 0.446 819 Q N -1.908 117.828 119.800 -0.106 0.000 2.079 819 Q HA -0.160 4.172 4.340 -0.014 0.000 0.200 819 Q C 1.943 177.763 176.000 -0.300 0.000 0.974 819 Q CA 1.644 57.343 55.803 -0.174 0.000 0.840 819 Q CB -0.298 28.332 28.738 -0.179 0.000 0.898 819 Q HN 0.827 nan 8.270 nan 0.000 0.430 820 Y N 0.493 120.496 120.300 -0.495 0.000 2.128 820 Y HA -0.306 4.235 4.550 -0.014 0.000 0.284 820 Y C 2.467 177.783 175.900 -0.973 0.000 1.154 820 Y CA 1.279 58.824 58.100 -0.926 0.000 1.149 820 Y CB -0.468 37.107 38.460 -1.475 0.000 0.976 820 Y HN 0.169 nan 8.280 nan 0.000 0.505 821 A N 0.317 122.891 122.820 -0.409 0.000 1.865 821 A HA -0.239 4.072 4.320 -0.014 0.000 0.217 821 A C 2.244 179.829 177.584 0.002 0.000 1.191 821 A CA 2.142 54.186 52.037 0.012 0.000 0.623 821 A CB -0.594 18.489 19.000 0.138 0.000 0.826 821 A HN 0.436 nan 8.150 nan 0.000 0.444 822 R N -0.751 119.713 120.500 -0.060 0.000 2.075 822 R HA -0.028 4.304 4.340 -0.014 0.000 0.226 822 R C 1.803 178.073 176.300 -0.050 0.000 1.114 822 R CA 1.475 57.555 56.100 -0.034 0.000 0.972 822 R CB -0.174 30.103 30.300 -0.039 0.000 0.869 822 R HN 0.668 nan 8.270 nan 0.000 0.437 823 E N -0.535 119.595 120.200 -0.118 0.000 2.415 823 E HA 0.103 4.444 4.350 -0.014 0.000 0.197 823 E C 1.410 177.954 176.600 -0.093 0.000 1.007 823 E CA 0.370 56.707 56.400 -0.106 0.000 0.890 823 E CB 0.568 30.180 29.700 -0.146 0.000 0.891 823 E HN 0.295 nan 8.360 nan 0.000 0.496 824 I N -1.042 119.436 120.570 -0.153 0.000 3.570 824 I HA 0.026 4.187 4.170 -0.014 0.000 0.270 824 I C 1.330 177.576 176.117 0.216 0.000 1.162 824 I CA -0.051 61.217 61.300 -0.053 0.000 1.413 824 I CB 0.220 38.047 38.000 -0.288 0.000 1.437 824 I HN 0.110 nan 8.210 nan 0.000 0.457 825 W N 1.539 122.925 121.300 0.144 0.000 2.658 825 W HA 0.328 4.980 4.660 -0.014 0.000 0.263 825 W C 1.446 177.989 176.519 0.040 0.000 1.274 825 W CA 0.768 58.176 57.345 0.106 0.000 1.343 825 W CB -1.105 28.406 29.460 0.085 0.000 1.106 825 W HN 0.321 nan 8.180 nan 0.000 0.615 826 G N 1.280 110.207 108.800 0.212 0.000 2.256 826 G HA2 -0.100 3.851 3.960 -0.014 0.000 0.272 826 G HA3 -0.100 3.851 3.960 -0.014 0.000 0.272 826 G C -0.321 174.638 174.900 0.098 0.000 1.076 826 G CA 0.252 45.417 45.100 0.108 0.000 0.882 826 G HN 0.386 nan 8.290 nan 0.000 0.497 827 V N -4.316 115.677 119.914 0.131 0.000 2.962 827 V HA 0.921 5.032 4.120 -0.014 0.000 0.313 827 V C -0.384 175.760 176.094 0.083 0.000 1.099 827 V CA -1.708 60.651 62.300 0.098 0.000 0.971 827 V CB 2.348 34.239 31.823 0.113 0.000 1.028 827 V HN 0.133 nan 8.190 nan 0.000 0.430 828 E N 2.690 122.924 120.200 0.056 0.000 2.156 828 E HA 0.552 4.893 4.350 -0.014 0.000 0.279 828 E C -2.589 174.042 176.600 0.051 0.000 0.965 828 E CA -1.823 54.604 56.400 0.046 0.000 0.789 828 E CB 1.737 31.457 29.700 0.033 0.000 1.098 828 E HN 0.683 nan 8.360 nan 0.000 0.397 829 P HA 0.094 nan 4.420 nan 0.000 0.269 829 P C -0.685 176.641 177.300 0.042 0.000 1.215 829 P CA -0.197 62.931 63.100 0.048 0.000 0.780 829 P CB 0.705 32.427 31.700 0.038 0.000 0.898 830 S N 1.168 116.895 115.700 0.046 0.000 2.575 830 S HA 0.333 4.795 4.470 -0.014 0.000 0.278 830 S C 0.400 175.024 174.600 0.041 0.000 1.139 830 S CA -0.725 57.502 58.200 0.044 0.000 0.954 830 S CB 0.885 64.119 63.200 0.057 0.000 1.054 830 S HN 0.231 nan 8.310 nan 0.000 0.483 831 R N 2.261 122.780 120.500 0.033 0.000 2.317 831 R HA 0.175 4.507 4.340 -0.014 0.000 0.208 831 R C 0.019 176.331 176.300 0.020 0.000 0.914 831 R CA 0.118 56.236 56.100 0.030 0.000 1.060 831 R CB 0.056 30.374 30.300 0.029 0.000 1.015 831 R HN 0.704 nan 8.270 nan 0.000 0.498 832 Q N 1.108 120.920 119.800 0.020 0.000 2.300 832 Q HA 0.044 4.376 4.340 -0.014 0.000 0.280 832 Q C -0.275 175.719 176.000 -0.009 0.000 1.033 832 Q CA 0.324 56.132 55.803 0.008 0.000 0.903 832 Q CB 0.635 29.382 28.738 0.015 0.000 1.195 832 Q HN -0.199 nan 8.270 nan 0.000 0.386 833 R N 1.710 122.195 120.500 -0.024 0.000 2.537 833 R HA 0.171 4.503 4.340 -0.014 0.000 0.280 833 R C -0.413 175.846 176.300 -0.068 0.000 1.058 833 R CA 0.065 56.138 56.100 -0.046 0.000 1.057 833 R CB 0.353 30.625 30.300 -0.048 0.000 0.973 833 R HN 0.501 nan 8.270 nan 0.000 0.438 834 L N 5.722 126.887 121.223 -0.096 0.000 2.395 834 L HA 0.359 4.691 4.340 -0.014 0.000 0.269 834 L C -1.668 175.142 176.870 -0.101 0.000 1.133 834 L CA -1.990 52.762 54.840 -0.146 0.000 0.812 834 L CB 0.927 42.869 42.059 -0.195 0.000 1.125 834 L HN 0.475 nan 8.230 nan 0.000 0.452 835 P HA 0.110 nan 4.420 nan 0.000 0.271 835 P C -0.804 176.467 177.300 -0.049 0.000 1.218 835 P CA -0.283 62.781 63.100 -0.060 0.000 0.780 835 P CB 0.970 32.641 31.700 -0.049 0.000 0.901 836 A N 0.000 122.800 122.820 -0.033 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486