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 3bcs_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.046 0.000 1.022 12 Q CB 0.000 28.709 28.738 -0.049 0.000 1.108 13 I N -1.036 119.524 120.570 -0.017 0.000 2.603 13 I HA 0.567 4.729 4.170 -0.014 0.000 0.300 13 I C 0.789 176.906 176.117 0.001 0.000 1.017 13 I CA -0.501 60.797 61.300 -0.003 0.000 1.098 13 I CB 1.984 39.987 38.000 0.006 0.000 1.279 13 I HN 0.084 nan 8.210 nan 0.000 0.437 14 S N 2.777 118.482 115.700 0.010 0.000 2.383 14 S HA -0.119 4.343 4.470 -0.014 0.000 0.227 14 S C 1.727 176.337 174.600 0.017 0.000 1.026 14 S CA 1.710 59.917 58.200 0.012 0.000 0.981 14 S CB -0.395 62.816 63.200 0.019 0.000 0.818 14 S HN 0.721 nan 8.310 nan 0.000 0.472 15 V N -0.122 119.810 119.914 0.030 0.000 3.078 15 V HA 0.125 4.237 4.120 -0.014 0.000 0.265 15 V C 1.765 177.876 176.094 0.027 0.000 1.122 15 V CA 1.229 63.551 62.300 0.037 0.000 1.141 15 V CB -0.919 30.935 31.823 0.052 0.000 0.735 15 V HN 0.343 nan 8.190 nan 0.000 0.498 16 R N 1.157 121.663 120.500 0.011 0.000 2.334 16 R HA 0.449 4.781 4.340 -0.014 0.000 0.220 16 R C 1.123 177.414 176.300 -0.015 0.000 0.917 16 R CA 0.541 56.641 56.100 -0.001 0.000 1.073 16 R CB 0.095 30.391 30.300 -0.007 0.000 1.056 16 R HN 0.759 nan 8.270 nan 0.000 0.506 17 G N 0.703 109.494 108.800 -0.015 0.000 2.728 17 G HA2 -0.221 3.731 3.960 -0.014 0.000 0.294 17 G HA3 -0.221 3.731 3.960 -0.014 0.000 0.294 17 G C -0.962 173.921 174.900 -0.028 0.000 1.342 17 G CA -1.058 44.024 45.100 -0.029 0.000 0.866 17 G HN -0.014 nan 8.290 nan 0.000 0.534 18 L N 0.515 121.719 121.223 -0.032 0.000 2.334 18 L HA 0.673 5.005 4.340 -0.014 0.000 0.277 18 L C 1.147 178.000 176.870 -0.028 0.000 1.075 18 L CA 0.339 55.163 54.840 -0.027 0.000 0.804 18 L CB 1.082 43.127 42.059 -0.024 0.000 1.174 18 L HN 1.530 nan 8.230 nan 0.000 0.438 19 A N 2.568 125.373 122.820 -0.024 0.000 3.056 19 A HA 0.600 4.912 4.320 -0.014 0.000 0.328 19 A C 0.553 178.128 177.584 -0.015 0.000 1.233 19 A CA -0.343 51.681 52.037 -0.022 0.000 0.965 19 A CB -0.134 18.850 19.000 -0.028 0.000 1.123 19 A HN 0.766 nan 8.150 nan 0.000 0.502 20 G N 0.509 109.303 108.800 -0.011 0.000 2.428 20 G HA2 0.443 4.395 3.960 -0.014 0.000 0.320 20 G HA3 0.443 4.395 3.960 -0.014 0.000 0.320 20 G C 0.897 175.798 174.900 0.002 0.000 1.098 20 G CA 0.171 45.268 45.100 -0.005 0.000 0.984 20 G HN 0.779 nan 8.290 nan 0.000 0.444 21 V N 2.510 122.426 119.914 0.004 0.000 2.512 21 V HA -0.472 3.639 4.120 -0.014 0.000 0.177 21 V C 2.577 178.680 176.094 0.015 0.000 1.038 21 V CA 2.966 65.272 62.300 0.009 0.000 1.302 21 V CB -1.290 30.538 31.823 0.007 0.000 1.129 21 V HN 0.778 nan 8.190 nan 0.000 0.483 22 E N 0.019 120.228 120.200 0.015 0.000 2.038 22 E HA -0.221 4.121 4.350 -0.014 0.000 0.195 22 E C 1.837 178.456 176.600 0.032 0.000 1.000 22 E CA 2.057 58.470 56.400 0.022 0.000 0.803 22 E CB -0.261 29.451 29.700 0.019 0.000 0.750 22 E HN 0.764 nan 8.360 nan 0.000 0.448 23 N N -0.848 117.870 118.700 0.030 0.000 2.120 23 N HA -0.127 4.605 4.740 -0.014 0.000 0.188 23 N C 1.644 177.180 175.510 0.042 0.000 1.024 23 N CA 1.266 54.340 53.050 0.040 0.000 0.852 23 N CB -0.099 38.399 38.487 0.018 0.000 1.003 23 N HN 0.009 nan 8.380 nan 0.000 0.424 24 V N 0.199 120.129 119.914 0.026 0.000 2.343 24 V HA -0.224 3.888 4.120 -0.014 0.000 0.247 24 V C 2.020 178.135 176.094 0.035 0.000 1.051 24 V CA 1.880 64.194 62.300 0.024 0.000 1.036 24 V CB -0.944 30.887 31.823 0.014 0.000 0.654 24 V HN 0.397 nan 8.190 nan 0.000 0.451 25 T N -0.558 114.016 114.554 0.035 0.000 2.746 25 T HA -0.214 4.128 4.350 -0.014 0.000 0.267 25 T C 1.929 176.663 174.700 0.056 0.000 1.039 25 T CA 1.759 63.882 62.100 0.038 0.000 1.142 25 T CB -0.197 68.689 68.868 0.030 0.000 0.866 25 T HN 0.465 nan 8.240 nan 0.000 0.444 26 E N 0.825 121.064 120.200 0.066 0.000 2.150 26 E HA 0.020 4.362 4.350 -0.014 0.000 0.193 26 E C 1.997 178.675 176.600 0.129 0.000 0.985 26 E CA 0.718 57.170 56.400 0.088 0.000 0.814 26 E CB -0.435 29.320 29.700 0.092 0.000 0.752 26 E HN 0.437 nan 8.360 nan 0.000 0.466 27 L N 0.037 121.341 121.223 0.135 0.000 2.056 27 L HA -0.142 4.190 4.340 -0.014 0.000 0.207 27 L C 2.377 179.354 176.870 0.180 0.000 1.078 27 L CA 1.268 56.212 54.840 0.173 0.000 0.749 27 L CB -0.278 41.853 42.059 0.119 0.000 0.901 27 L HN 0.059 nan 8.230 nan 0.000 0.433 28 K N 0.549 121.015 120.400 0.111 0.000 2.063 28 K HA -0.218 4.093 4.320 -0.014 0.000 0.208 28 K C 2.130 178.832 176.600 0.170 0.000 1.048 28 K CA 1.836 58.180 56.287 0.096 0.000 0.928 28 K CB -0.087 32.433 32.500 0.033 0.000 0.713 28 K HN 0.373 nan 8.250 nan 0.000 0.442 29 K N 0.225 120.706 120.400 0.135 0.000 2.103 29 K HA -0.054 4.258 4.320 -0.014 0.000 0.204 29 K C 1.562 178.252 176.600 0.149 0.000 1.052 29 K CA 1.333 57.694 56.287 0.124 0.000 0.945 29 K CB -0.119 32.428 32.500 0.078 0.000 0.722 29 K HN 0.007 nan 8.250 nan 0.000 0.443 30 N N 0.475 119.276 118.700 0.169 0.000 2.270 30 N HA -0.104 4.628 4.740 -0.014 0.000 0.181 30 N C 1.577 177.253 175.510 0.276 0.000 1.016 30 N CA 0.887 54.036 53.050 0.165 0.000 0.870 30 N CB -0.250 38.347 38.487 0.183 0.000 0.979 30 N HN 0.214 nan 8.380 nan 0.000 0.431 31 F N 2.554 122.614 119.950 0.183 0.000 2.102 31 F HA -0.108 4.411 4.527 -0.013 0.000 0.298 31 F C 2.021 177.935 175.800 0.191 0.000 1.105 31 F CA 1.295 59.417 58.000 0.204 0.000 1.239 31 F CB -0.131 38.958 39.000 0.148 0.000 0.991 31 F HN -0.033 nan 8.300 nan 0.000 0.474 32 N N 0.450 119.393 118.700 0.404 0.000 2.188 32 N HA -0.181 4.550 4.740 -0.014 0.000 0.184 32 N C 2.019 177.626 175.510 0.162 0.000 1.018 32 N CA 1.106 54.317 53.050 0.268 0.000 0.858 32 N CB -0.532 38.089 38.487 0.224 0.000 0.989 32 N HN 0.378 nan 8.380 nan 0.000 0.426 33 R N 0.280 120.872 120.500 0.153 0.000 2.073 33 R HA -0.104 4.228 4.340 -0.014 0.000 0.234 33 R C 1.783 178.180 176.300 0.160 0.000 1.134 33 R CA 1.484 57.702 56.100 0.197 0.000 0.952 33 R CB -0.198 30.132 30.300 0.049 0.000 0.850 33 R HN 0.375 nan 8.270 nan 0.000 0.433 34 H N -0.381 118.737 119.070 0.081 0.000 2.357 34 H HA -0.116 4.432 4.556 -0.014 0.000 0.301 34 H C 1.887 177.159 175.328 -0.094 0.000 1.082 34 H CA 1.442 57.469 56.048 -0.035 0.000 1.342 34 H CB 0.056 29.757 29.762 -0.102 0.000 1.389 34 H HN 0.123 nan 8.280 nan 0.000 0.511 35 L N 0.005 121.219 121.223 -0.016 0.000 2.042 35 L HA -0.213 4.119 4.340 -0.014 0.000 0.210 35 L C 2.203 179.056 176.870 -0.028 0.000 1.076 35 L CA 1.936 56.736 54.840 -0.067 0.000 0.749 35 L CB -0.448 41.582 42.059 -0.048 0.000 0.893 35 L HN 0.316 nan 8.230 nan 0.000 0.432 36 H N -1.865 117.139 119.070 -0.111 0.000 2.276 36 H HA -0.051 4.497 4.556 -0.014 0.000 0.307 36 H C 1.799 176.940 175.328 -0.312 0.000 1.061 36 H CA 2.217 58.107 56.048 -0.263 0.000 1.336 36 H CB -0.252 29.262 29.762 -0.413 0.000 1.396 36 H HN 0.292 nan 8.280 nan 0.000 0.503 37 F N -0.481 119.459 119.950 -0.017 0.000 2.270 37 F HA -0.005 4.514 4.527 -0.014 0.000 0.295 37 F C 2.555 178.280 175.800 -0.124 0.000 1.087 37 F CA 1.344 59.291 58.000 -0.089 0.000 1.365 37 F CB -0.289 38.691 39.000 -0.033 0.000 1.056 37 F HN 0.174 nan 8.300 nan 0.000 0.506 38 T N -0.058 114.530 114.554 0.058 0.000 2.901 38 T HA 0.080 4.422 4.350 -0.014 0.000 0.252 38 T C 1.952 176.565 174.700 -0.146 0.000 1.035 38 T CA 0.820 62.880 62.100 -0.066 0.000 1.142 38 T CB -0.245 68.556 68.868 -0.112 0.000 0.869 38 T HN 0.109 nan 8.240 nan 0.000 0.442 39 L N 1.188 122.327 121.223 -0.140 0.000 2.477 39 L HA 0.200 4.532 4.340 -0.014 0.000 0.220 39 L C 0.386 177.163 176.870 -0.156 0.000 1.106 39 L CA -0.074 54.671 54.840 -0.158 0.000 0.851 39 L CB -0.100 41.874 42.059 -0.141 0.000 0.994 39 L HN -0.014 nan 8.230 nan 0.000 0.462 40 V N 0.596 120.401 119.914 -0.182 0.000 5.949 40 V HA -0.270 3.841 4.120 -0.014 0.000 0.287 40 V C -0.086 175.892 176.094 -0.192 0.000 0.603 40 V CA 1.104 63.267 62.300 -0.229 0.000 0.608 40 V CB -2.207 29.507 31.823 -0.182 0.000 0.259 40 V HN 0.418 nan 8.190 nan 0.000 0.742 41 K N 1.278 121.570 120.400 -0.180 0.000 2.482 41 K HA 0.691 5.002 4.320 -0.014 0.000 0.257 41 K C -0.461 176.096 176.600 -0.071 0.000 0.969 41 K CA -0.574 55.641 56.287 -0.120 0.000 0.842 41 K CB 2.827 35.258 32.500 -0.116 0.000 1.359 41 K HN 0.530 nan 8.250 nan 0.000 0.441 42 D N -0.080 120.304 120.400 -0.028 0.000 2.414 42 D HA 0.287 4.919 4.640 -0.014 0.000 0.241 42 D C 0.620 176.951 176.300 0.053 0.000 1.008 42 D CA -0.599 53.422 54.000 0.036 0.000 1.001 42 D CB 1.125 41.949 40.800 0.040 0.000 1.277 42 D HN 0.111 nan 8.370 nan 0.000 0.538 43 R N 0.048 120.612 120.500 0.106 0.000 2.249 43 R HA -0.031 4.301 4.340 -0.014 0.000 0.230 43 R C 0.976 177.354 176.300 0.129 0.000 1.121 43 R CA 0.606 56.809 56.100 0.171 0.000 0.997 43 R CB -0.581 29.825 30.300 0.177 0.000 0.867 43 R HN 0.526 nan 8.270 nan 0.000 0.465 44 N N 0.116 118.859 118.700 0.072 0.000 2.446 44 N HA -0.070 4.662 4.740 -0.014 0.000 0.179 44 N C 1.579 177.109 175.510 0.032 0.000 1.054 44 N CA 1.091 54.172 53.050 0.052 0.000 0.905 44 N CB 0.430 38.938 38.487 0.034 0.000 0.973 44 N HN 0.212 nan 8.380 nan 0.000 0.448 45 V N -2.841 117.079 119.914 0.010 0.000 3.556 45 V HA 0.517 4.629 4.120 -0.014 0.000 0.287 45 V C 0.819 176.882 176.094 -0.053 0.000 1.422 45 V CA -0.453 61.837 62.300 -0.015 0.000 1.038 45 V CB -0.244 31.564 31.823 -0.025 0.000 0.850 45 V HN 0.025 nan 8.190 nan 0.000 0.437 46 A N 2.295 125.061 122.820 -0.091 0.000 2.477 46 A HA 0.582 4.894 4.320 -0.014 0.000 0.246 46 A C 0.731 178.148 177.584 -0.277 0.000 1.078 46 A CA 0.754 52.627 52.037 -0.273 0.000 0.770 46 A CB -0.141 18.557 19.000 -0.503 0.000 1.011 46 A HN 0.844 nan 8.150 nan 0.000 0.494 47 T N 0.209 114.600 114.554 -0.272 0.000 2.936 47 T HA 0.563 4.905 4.350 -0.014 0.000 0.282 47 T C -2.088 172.545 174.700 -0.111 0.000 1.003 47 T CA -1.777 60.254 62.100 -0.116 0.000 1.005 47 T CB 1.160 70.003 68.868 -0.041 0.000 1.097 47 T HN 0.255 nan 8.240 nan 0.000 0.532 48 P HA -0.127 nan 4.420 nan 0.000 0.217 48 P C 1.594 179.014 177.300 0.200 0.000 1.151 48 P CA 1.038 64.291 63.100 0.255 0.000 0.849 48 P CB 0.045 31.849 31.700 0.173 0.000 0.787 49 R N -0.046 120.515 120.500 0.102 0.000 2.081 49 R HA -0.138 4.194 4.340 -0.014 0.000 0.235 49 R C 1.695 178.166 176.300 0.285 0.000 1.131 49 R CA 1.774 57.970 56.100 0.159 0.000 0.960 49 R CB -0.669 29.656 30.300 0.042 0.000 0.856 49 R HN 0.100 nan 8.270 nan 0.000 0.436 50 D N -0.304 120.143 120.400 0.079 0.000 2.117 50 D HA -0.194 4.438 4.640 -0.014 0.000 0.197 50 D C 1.749 178.063 176.300 0.024 0.000 0.987 50 D CA 1.348 55.345 54.000 -0.005 0.000 0.829 50 D CB -0.322 40.333 40.800 -0.242 0.000 0.961 50 D HN 0.308 nan 8.370 nan 0.000 0.460 51 Y N 0.171 120.580 120.300 0.182 0.000 2.181 51 Y HA -0.211 4.331 4.550 -0.013 0.000 0.288 51 Y C 2.346 178.387 175.900 0.235 0.000 1.146 51 Y CA 0.373 58.625 58.100 0.254 0.000 1.164 51 Y CB -1.204 37.465 38.460 0.348 0.000 0.982 51 Y HN 0.079 nan 8.280 nan 0.000 0.515 52 Y N -0.363 120.083 120.300 0.244 0.000 2.081 52 Y HA -0.323 4.219 4.550 -0.014 0.000 0.280 52 Y C 2.025 177.899 175.900 -0.042 0.000 1.163 52 Y CA 1.469 59.607 58.100 0.062 0.000 1.135 52 Y CB -1.167 37.232 38.460 -0.102 0.000 0.970 52 Y HN 0.057 nan 8.280 nan 0.000 0.498 53 F N 0.108 119.854 119.950 -0.339 0.000 2.171 53 F HA -0.141 4.378 4.527 -0.013 0.000 0.300 53 F C 2.633 178.263 175.800 -0.283 0.000 1.090 53 F CA 1.269 59.004 58.000 -0.442 0.000 1.293 53 F CB -0.799 38.125 39.000 -0.126 0.000 1.013 53 F HN 0.214 nan 8.300 nan 0.000 0.486 54 A N -0.178 122.585 122.820 -0.096 0.000 1.902 54 A HA -0.176 4.136 4.320 -0.014 0.000 0.217 54 A C 2.055 179.491 177.584 -0.247 0.000 1.181 54 A CA 1.528 53.371 52.037 -0.322 0.000 0.623 54 A CB -1.005 17.467 19.000 -0.880 0.000 0.818 54 A HN 0.336 nan 8.150 nan 0.000 0.443 55 L N -0.153 121.047 121.223 -0.037 0.000 1.994 55 L HA -0.048 4.284 4.340 -0.014 0.000 0.208 55 L C 2.713 179.554 176.870 -0.049 0.000 1.071 55 L CA 2.252 57.203 54.840 0.184 0.000 0.745 55 L CB -1.020 41.220 42.059 0.301 0.000 0.892 55 L HN 0.351 nan 8.230 nan 0.000 0.431 56 A N -1.207 121.398 122.820 -0.359 0.000 1.892 56 A HA -0.311 4.001 4.320 -0.014 0.000 0.218 56 A C 2.165 179.375 177.584 -0.623 0.000 1.188 56 A CA 2.167 53.856 52.037 -0.579 0.000 0.631 56 A CB -1.193 17.108 19.000 -1.165 0.000 0.822 56 A HN 0.702 nan 8.150 nan 0.000 0.447 57 H N -0.988 117.756 119.070 -0.543 0.000 2.387 57 H HA -0.059 4.489 4.556 -0.013 0.000 0.299 57 H C 2.340 177.374 175.328 -0.491 0.000 1.090 57 H CA 1.918 57.575 56.048 -0.652 0.000 1.332 57 H CB -0.120 29.030 29.762 -1.020 0.000 1.386 57 H HN 0.475 nan 8.280 nan 0.000 0.516 58 T N -0.357 114.127 114.554 -0.117 0.000 2.737 58 T HA -0.124 4.218 4.350 -0.014 0.000 0.265 58 T C 2.251 177.111 174.700 0.266 0.000 1.038 58 T CA 1.308 63.529 62.100 0.203 0.000 1.144 58 T CB -0.336 68.720 68.868 0.314 0.000 0.866 58 T HN 0.097 nan 8.240 nan 0.000 0.434 59 V N 1.617 121.648 119.914 0.196 0.000 2.358 59 V HA -0.122 3.990 4.120 -0.014 0.000 0.246 59 V C 2.613 178.878 176.094 0.285 0.000 1.047 59 V CA 1.541 63.991 62.300 0.251 0.000 1.035 59 V CB -0.648 31.320 31.823 0.242 0.000 0.658 59 V HN 0.372 nan 8.190 nan 0.000 0.452 60 R N 0.310 120.929 120.500 0.198 0.000 2.103 60 R HA -0.237 4.095 4.340 -0.014 0.000 0.242 60 R C 2.004 178.411 176.300 0.179 0.000 1.142 60 R CA 2.241 58.455 56.100 0.190 0.000 0.960 60 R CB -0.493 29.769 30.300 -0.064 0.000 0.858 60 R HN 0.476 nan 8.270 nan 0.000 0.439 61 D N -0.116 120.379 120.400 0.158 0.000 2.133 61 D HA -0.191 4.441 4.640 -0.014 0.000 0.195 61 D C 1.811 178.143 176.300 0.053 0.000 0.997 61 D CA 1.258 55.326 54.000 0.113 0.000 0.840 61 D CB -0.480 40.381 40.800 0.101 0.000 0.947 61 D HN 0.485 nan 8.370 nan 0.000 0.452 62 H N -0.258 118.876 119.070 0.107 0.000 2.491 62 H HA 0.014 4.562 4.556 -0.013 0.000 0.290 62 H C 2.329 177.699 175.328 0.070 0.000 1.050 62 H CA 0.387 56.482 56.048 0.078 0.000 1.309 62 H CB 0.197 29.997 29.762 0.063 0.000 1.392 62 H HN 0.198 nan 8.280 nan 0.000 0.554 63 L N 0.552 121.888 121.223 0.189 0.000 2.072 63 L HA -0.135 4.197 4.340 -0.014 0.000 0.205 63 L C 2.824 179.803 176.870 0.182 0.000 1.079 63 L CA 0.772 55.686 54.840 0.123 0.000 0.752 63 L CB -0.251 41.846 42.059 0.062 0.000 0.906 63 L HN 0.129 nan 8.230 nan 0.000 0.436 64 V N -2.491 117.561 119.914 0.230 0.000 2.332 64 V HA -0.144 3.968 4.120 -0.014 0.000 0.248 64 V C 2.333 178.550 176.094 0.206 0.000 1.055 64 V CA 1.930 64.415 62.300 0.307 0.000 1.038 64 V CB -1.856 30.110 31.823 0.239 0.000 0.651 64 V HN 0.408 nan 8.190 nan 0.000 0.450 65 G N 0.487 109.358 108.800 0.119 0.000 2.446 65 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.217 65 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.217 65 G C 1.766 176.712 174.900 0.077 0.000 1.168 65 G CA 1.061 46.203 45.100 0.069 0.000 0.771 65 G HN 0.547 nan 8.290 nan 0.000 0.551 66 R N -1.491 119.065 120.500 0.092 0.000 2.092 66 R HA -0.053 4.279 4.340 -0.014 0.000 0.231 66 R C 2.260 178.640 176.300 0.133 0.000 1.119 66 R CA 1.049 57.191 56.100 0.070 0.000 0.970 66 R CB -0.352 29.973 30.300 0.042 0.000 0.864 66 R HN 0.472 nan 8.270 nan 0.000 0.440 67 W N 1.660 122.941 121.300 -0.032 0.000 2.355 67 W HA -0.084 4.568 4.660 -0.013 0.000 0.309 67 W C 1.710 178.203 176.519 -0.044 0.000 1.206 67 W CA 0.954 58.278 57.345 -0.035 0.000 1.284 67 W CB -0.598 28.861 29.460 -0.002 0.000 1.145 67 W HN -0.042 nan 8.180 nan 0.000 0.502 68 I N 1.017 121.639 120.570 0.087 0.000 2.226 68 I HA -0.340 3.822 4.170 -0.014 0.000 0.245 68 I C 2.685 178.782 176.117 -0.033 0.000 1.100 68 I CA 2.004 63.273 61.300 -0.053 0.000 1.374 68 I CB -0.633 37.339 38.000 -0.046 0.000 1.057 68 I HN -0.004 nan 8.210 nan 0.000 0.413 69 R N 0.340 120.837 120.500 -0.005 0.000 2.153 69 R HA -0.038 4.294 4.340 -0.014 0.000 0.218 69 R C 1.900 178.164 176.300 -0.059 0.000 1.072 69 R CA 1.447 57.534 56.100 -0.022 0.000 0.990 69 R CB -1.127 29.162 30.300 -0.019 0.000 0.889 69 R HN 0.173 nan 8.270 nan 0.000 0.452 70 T N 1.738 116.235 114.554 -0.095 0.000 2.674 70 T HA -0.104 4.238 4.350 -0.014 0.000 0.265 70 T C 1.822 176.261 174.700 -0.434 0.000 1.039 70 T CA 1.375 63.308 62.100 -0.278 0.000 1.150 70 T CB -0.118 68.618 68.868 -0.220 0.000 0.864 70 T HN 0.247 nan 8.240 nan 0.000 0.427 71 Q N 1.312 120.997 119.800 -0.193 0.000 2.167 71 Q HA -0.124 4.208 4.340 -0.014 0.000 0.202 71 Q C 2.525 178.533 176.000 0.012 0.000 0.970 71 Q CA 1.242 57.004 55.803 -0.070 0.000 0.855 71 Q CB -0.498 28.228 28.738 -0.021 0.000 0.911 71 Q HN 0.819 nan 8.270 nan 0.000 0.438 72 Q N -0.593 119.205 119.800 -0.004 0.000 2.172 72 Q HA -0.192 4.140 4.340 -0.014 0.000 0.200 72 Q C 1.796 177.875 176.000 0.132 0.000 0.964 72 Q CA 1.516 57.360 55.803 0.070 0.000 0.855 72 Q CB -0.558 28.200 28.738 0.034 0.000 0.918 72 Q HN 0.429 nan 8.270 nan 0.000 0.444 73 H N 0.281 119.324 119.070 -0.044 0.000 2.352 73 H HA -0.178 4.370 4.556 -0.013 0.000 0.299 73 H C 1.207 176.599 175.328 0.107 0.000 1.097 73 H CA 2.142 58.174 56.048 -0.026 0.000 1.311 73 H CB -0.224 29.458 29.762 -0.133 0.000 1.377 73 H HN 0.303 nan 8.280 nan 0.000 0.504 74 Y N -1.080 119.242 120.300 0.037 0.000 2.274 74 Y HA -0.175 4.367 4.550 -0.014 0.000 0.290 74 Y C 2.382 178.303 175.900 0.034 0.000 1.145 74 Y CA 0.993 59.089 58.100 -0.006 0.000 1.203 74 Y CB -1.282 37.236 38.460 0.098 0.000 0.984 74 Y HN 0.352 nan 8.280 nan 0.000 0.533 75 Y N 1.239 121.609 120.300 0.116 0.000 2.200 75 Y HA -0.171 4.371 4.550 -0.014 0.000 0.290 75 Y C 2.147 178.049 175.900 0.003 0.000 1.137 75 Y CA 1.661 59.792 58.100 0.053 0.000 1.163 75 Y CB -0.043 38.439 38.460 0.037 0.000 0.988 75 Y HN 0.008 nan 8.280 nan 0.000 0.518 76 E N 0.408 120.617 120.200 0.014 0.000 2.047 76 E HA -0.167 4.175 4.350 -0.014 0.000 0.191 76 E C 2.038 178.557 176.600 -0.135 0.000 0.987 76 E CA 1.341 57.693 56.400 -0.080 0.000 0.799 76 E CB -0.284 29.416 29.700 0.000 0.000 0.752 76 E HN 0.484 nan 8.360 nan 0.000 0.449 77 K N 0.544 120.845 120.400 -0.164 0.000 2.296 77 K HA -0.078 4.234 4.320 -0.014 0.000 0.200 77 K C -0.000 176.533 176.600 -0.111 0.000 1.048 77 K CA 0.482 56.673 56.287 -0.160 0.000 0.966 77 K CB 0.014 32.352 32.500 -0.271 0.000 0.754 77 K HN -0.009 nan 8.250 nan 0.000 0.466 78 D N 1.005 121.347 120.400 -0.097 0.000 2.735 78 D HA -0.100 4.532 4.640 -0.014 0.000 0.235 78 D C -2.433 173.831 176.300 -0.061 0.000 1.175 78 D CA 0.112 54.065 54.000 -0.079 0.000 0.683 78 D CB -0.120 40.607 40.800 -0.121 0.000 1.008 78 D HN 0.173 nan 8.370 nan 0.000 0.416 79 P HA 0.109 nan 4.420 nan 0.000 0.276 79 P C -0.125 177.127 177.300 -0.080 0.000 1.261 79 P CA -0.600 62.456 63.100 -0.073 0.000 0.800 79 P CB 0.609 32.248 31.700 -0.102 0.000 1.066 80 K N 1.200 121.557 120.400 -0.072 0.000 2.451 80 K HA 0.041 4.353 4.320 -0.014 0.000 0.280 80 K C -0.090 176.419 176.600 -0.152 0.000 1.020 80 K CA 0.023 56.261 56.287 -0.082 0.000 1.008 80 K CB 0.179 32.648 32.500 -0.052 0.000 0.917 80 K HN 0.248 nan 8.250 nan 0.000 0.478 81 R N 3.629 124.023 120.500 -0.177 0.000 2.368 81 R HA 0.342 4.674 4.340 -0.014 0.000 0.302 81 R C -0.518 175.501 176.300 -0.469 0.000 1.002 81 R CA -0.463 55.447 56.100 -0.317 0.000 0.929 81 R CB 0.829 30.934 30.300 -0.325 0.000 1.073 81 R HN 0.496 nan 8.270 nan 0.000 0.464 82 I N 4.350 124.591 120.570 -0.549 0.000 2.339 82 I HA 0.214 4.376 4.170 -0.014 0.000 0.290 82 I C -0.676 175.132 176.117 -0.515 0.000 0.994 82 I CA -0.811 60.124 61.300 -0.607 0.000 1.191 82 I CB 0.876 38.388 38.000 -0.815 0.000 1.343 82 I HN 0.533 nan 8.210 nan 0.000 0.458 83 Y N 5.933 126.198 120.300 -0.058 0.000 2.402 83 Y HA 0.285 4.827 4.550 -0.013 0.000 0.332 83 Y C -0.265 175.741 175.900 0.176 0.000 0.960 83 Y CA -0.728 57.458 58.100 0.143 0.000 1.228 83 Y CB 1.028 39.532 38.460 0.073 0.000 1.120 83 Y HN 0.398 nan 8.280 nan 0.000 0.491 84 Y N 4.496 124.976 120.300 0.301 0.000 2.454 84 Y HA 0.458 5.000 4.550 -0.013 0.000 0.345 84 Y C -1.173 174.993 175.900 0.444 0.000 0.970 84 Y CA -0.896 57.392 58.100 0.313 0.000 1.204 84 Y CB 0.274 38.918 38.460 0.308 0.000 1.122 84 Y HN 0.505 nan 8.280 nan 0.000 0.514 85 L N 4.982 126.264 121.223 0.097 0.000 2.265 85 L HA 0.474 4.806 4.340 -0.014 0.000 0.288 85 L C -0.212 176.687 176.870 0.049 0.000 1.058 85 L CA 0.145 55.098 54.840 0.189 0.000 0.809 85 L CB 1.309 43.444 42.059 0.127 0.000 1.179 85 L HN 0.572 nan 8.230 nan 0.000 0.429 86 S N 2.422 118.240 115.700 0.197 0.000 2.536 86 S HA 0.493 4.955 4.470 -0.014 0.000 0.271 86 S C 0.278 174.980 174.600 0.169 0.000 1.134 86 S CA -0.512 57.701 58.200 0.022 0.000 0.897 86 S CB 1.034 64.002 63.200 -0.387 0.000 1.094 86 S HN 0.478 nan 8.310 nan 0.000 0.473 87 L N 2.786 124.144 121.223 0.225 0.000 2.591 87 L HA 0.423 4.754 4.340 -0.014 0.000 0.228 87 L C 0.337 177.408 176.870 0.336 0.000 1.133 87 L CA 0.980 56.017 54.840 0.327 0.000 0.880 87 L CB -0.030 42.239 42.059 0.349 0.000 1.033 87 L HN 0.631 nan 8.230 nan 0.000 0.450 88 E N -1.176 119.090 120.200 0.108 0.000 2.275 88 E HA 0.384 4.726 4.350 -0.014 0.000 0.270 88 E C -1.384 175.087 176.600 -0.215 0.000 0.882 88 E CA -0.414 56.028 56.400 0.070 0.000 0.758 88 E CB 1.779 31.503 29.700 0.040 0.000 1.195 88 E HN -0.153 nan 8.360 nan 0.000 0.419 89 F N 2.337 122.397 119.950 0.185 0.000 2.771 89 F HA 0.177 4.696 4.527 -0.014 0.000 0.365 89 F C -0.789 175.099 175.800 0.148 0.000 1.169 89 F CA -0.776 57.319 58.000 0.159 0.000 1.093 89 F CB 0.923 40.008 39.000 0.140 0.000 1.363 89 F HN 0.487 nan 8.300 nan 0.000 0.496 90 Y N 5.228 125.601 120.300 0.121 0.000 2.632 90 Y HA 0.217 4.759 4.550 -0.013 0.000 0.336 90 Y C 0.882 176.801 175.900 0.031 0.000 1.237 90 Y CA -0.969 57.154 58.100 0.038 0.000 1.595 90 Y CB 0.345 38.809 38.460 0.006 0.000 1.508 90 Y HN 0.550 nan 8.280 nan 0.000 0.480 91 M N 1.588 121.331 119.600 0.239 0.000 2.334 91 M HA 0.131 4.603 4.480 -0.014 0.000 0.266 91 M C 1.560 177.835 176.300 -0.042 0.000 1.082 91 M CA 1.029 56.368 55.300 0.066 0.000 1.141 91 M CB -1.124 31.493 32.600 0.029 0.000 1.380 91 M HN 0.697 nan 8.290 nan 0.000 0.440 92 G N 1.387 110.174 108.800 -0.021 0.000 2.569 92 G HA2 -0.280 3.672 3.960 -0.014 0.000 0.259 92 G HA3 -0.280 3.672 3.960 -0.014 0.000 0.259 92 G C -0.232 174.624 174.900 -0.074 0.000 1.263 92 G CA -0.286 44.760 45.100 -0.090 0.000 0.928 92 G HN 0.442 nan 8.290 nan 0.000 0.572 93 R N -0.712 119.723 120.500 -0.107 0.000 2.531 93 R HA 0.560 4.891 4.340 -0.014 0.000 0.273 93 R C 1.082 177.268 176.300 -0.189 0.000 1.070 93 R CA 0.321 56.368 56.100 -0.089 0.000 1.112 93 R CB 0.743 30.997 30.300 -0.076 0.000 1.049 93 R HN 0.519 nan 8.270 nan 0.000 0.508 94 T N 1.245 115.642 114.554 -0.262 0.000 2.978 94 T HA -0.007 4.335 4.350 -0.014 0.000 0.248 94 T C 1.431 175.765 174.700 -0.611 0.000 1.018 94 T CA -0.115 61.622 62.100 -0.606 0.000 1.026 94 T CB 0.140 68.281 68.868 -1.212 0.000 1.032 94 T HN 0.323 nan 8.240 nan 0.000 0.485 95 L N 1.875 122.960 121.223 -0.230 0.000 1.970 95 L HA -0.019 4.313 4.340 -0.014 0.000 0.212 95 L C 2.441 179.276 176.870 -0.059 0.000 1.071 95 L CA 2.000 56.852 54.840 0.020 0.000 0.751 95 L CB -0.641 41.635 42.059 0.362 0.000 0.889 95 L HN 0.171 nan 8.230 nan 0.000 0.432 96 Q N -0.781 118.982 119.800 -0.061 0.000 2.124 96 Q HA -0.242 4.090 4.340 -0.014 0.000 0.202 96 Q C 2.216 178.144 176.000 -0.121 0.000 0.977 96 Q CA 1.721 57.481 55.803 -0.071 0.000 0.850 96 Q CB -0.274 28.421 28.738 -0.072 0.000 0.901 96 Q HN 0.696 nan 8.270 nan 0.000 0.429 97 N N -0.939 117.649 118.700 -0.186 0.000 2.149 97 N HA -0.144 4.588 4.740 -0.014 0.000 0.188 97 N C 1.312 176.712 175.510 -0.184 0.000 1.019 97 N CA 1.736 54.666 53.050 -0.200 0.000 0.857 97 N CB 0.105 38.439 38.487 -0.255 0.000 0.997 97 N HN 0.207 nan 8.380 nan 0.000 0.426 98 T N 1.212 115.623 114.554 -0.239 0.000 2.777 98 T HA -0.040 4.302 4.350 -0.014 0.000 0.266 98 T C 2.078 176.712 174.700 -0.110 0.000 1.040 98 T CA 0.980 62.956 62.100 -0.208 0.000 1.141 98 T CB -0.052 68.641 68.868 -0.291 0.000 0.868 98 T HN 0.250 nan 8.240 nan 0.000 0.444 99 M N 0.649 120.201 119.600 -0.079 0.000 2.086 99 M HA -0.098 4.374 4.480 -0.014 0.000 0.261 99 M C 2.501 178.766 176.300 -0.058 0.000 1.067 99 M CA 1.330 56.597 55.300 -0.054 0.000 1.116 99 M CB -0.704 31.880 32.600 -0.027 0.000 1.348 99 M HN 0.092 nan 8.290 nan 0.000 0.407 100 V N 1.015 120.901 119.914 -0.047 0.000 2.287 100 V HA -0.290 3.822 4.120 -0.014 0.000 0.248 100 V C 1.836 177.938 176.094 0.013 0.000 1.053 100 V CA 1.997 64.295 62.300 -0.003 0.000 1.027 100 V CB -0.923 30.902 31.823 0.003 0.000 0.646 100 V HN 0.479 nan 8.190 nan 0.000 0.447 101 N N -0.433 118.260 118.700 -0.011 0.000 2.396 101 N HA -0.039 4.693 4.740 -0.014 0.000 0.180 101 N C 1.114 176.533 175.510 -0.153 0.000 1.028 101 N CA 0.753 53.781 53.050 -0.037 0.000 0.893 101 N CB -0.107 38.366 38.487 -0.023 0.000 0.967 101 N HN 0.299 nan 8.380 nan 0.000 0.440 102 L N -0.213 120.936 121.223 -0.124 0.000 2.640 102 L HA 0.396 4.728 4.340 -0.014 0.000 0.230 102 L C 0.582 177.370 176.870 -0.136 0.000 1.123 102 L CA -0.198 54.569 54.840 -0.123 0.000 0.900 102 L CB -0.658 41.350 42.059 -0.085 0.000 1.146 102 L HN 0.095 nan 8.230 nan 0.000 0.484 103 A N -0.564 122.172 122.820 -0.140 0.000 2.846 103 A HA -0.212 4.099 4.320 -0.014 0.000 0.287 103 A C 1.004 178.530 177.584 -0.097 0.000 1.469 103 A CA 0.922 52.888 52.037 -0.118 0.000 0.757 103 A CB -1.944 16.974 19.000 -0.137 0.000 1.033 103 A HN 0.208 nan 8.150 nan 0.000 0.516 104 L N -0.848 120.317 121.223 -0.095 0.000 2.766 104 L HA 0.258 4.590 4.340 -0.014 0.000 0.242 104 L C 1.827 178.659 176.870 -0.064 0.000 1.136 104 L CA 1.492 56.270 54.840 -0.104 0.000 0.933 104 L CB -0.211 41.756 42.059 -0.154 0.000 1.241 104 L HN 0.637 nan 8.230 nan 0.000 0.522 105 E N -0.100 120.073 120.200 -0.046 0.000 2.058 105 E HA -0.229 4.113 4.350 -0.014 0.000 0.194 105 E C 1.589 178.175 176.600 -0.023 0.000 0.997 105 E CA 1.426 57.810 56.400 -0.027 0.000 0.801 105 E CB 0.274 29.961 29.700 -0.021 0.000 0.746 105 E HN 0.392 nan 8.360 nan 0.000 0.450 106 N N 0.041 118.724 118.700 -0.029 0.000 2.216 106 N HA -0.093 4.638 4.740 -0.014 0.000 0.183 106 N C 1.566 177.059 175.510 -0.029 0.000 1.017 106 N CA 1.178 54.211 53.050 -0.029 0.000 0.861 106 N CB -0.369 38.100 38.487 -0.031 0.000 0.986 106 N HN 0.233 nan 8.380 nan 0.000 0.428 107 A N 0.551 123.352 122.820 -0.032 0.000 1.883 107 A HA -0.160 4.152 4.320 -0.014 0.000 0.217 107 A C 2.660 180.234 177.584 -0.017 0.000 1.186 107 A CA 1.437 53.458 52.037 -0.027 0.000 0.624 107 A CB -1.078 17.899 19.000 -0.038 0.000 0.822 107 A HN 0.438 nan 8.150 nan 0.000 0.444 108 C N -0.822 118.468 119.300 -0.017 0.000 2.425 108 C HA -0.076 4.375 4.460 -0.014 0.000 0.277 108 C C 2.474 177.465 174.990 0.001 0.000 1.280 108 C CA 1.157 60.176 59.018 0.002 0.000 1.744 108 C CB -1.172 26.579 27.740 0.019 0.000 1.989 108 C HN 0.704 nan 8.230 nan 0.000 0.491 109 D N 0.645 121.045 120.400 -0.000 0.000 2.117 109 D HA -0.139 4.493 4.640 -0.014 0.000 0.197 109 D C 2.136 178.445 176.300 0.016 0.000 0.987 109 D CA 1.458 55.461 54.000 0.005 0.000 0.829 109 D CB -0.242 40.551 40.800 -0.011 0.000 0.961 109 D HN 0.444 nan 8.370 nan 0.000 0.460 110 E N 0.160 120.359 120.200 -0.002 0.000 2.047 110 E HA -0.029 4.313 4.350 -0.014 0.000 0.191 110 E C 1.896 178.524 176.600 0.045 0.000 0.987 110 E CA 1.523 57.932 56.400 0.015 0.000 0.799 110 E CB -0.591 29.103 29.700 -0.011 0.000 0.752 110 E HN 0.215 nan 8.360 nan 0.000 0.449 111 A N -0.117 122.703 122.820 0.001 0.000 1.908 111 A HA -0.217 4.095 4.320 -0.014 0.000 0.218 111 A C 2.470 179.987 177.584 -0.112 0.000 1.181 111 A CA 2.845 54.859 52.037 -0.037 0.000 0.627 111 A CB -1.405 17.576 19.000 -0.032 0.000 0.818 111 A HN 0.512 nan 8.150 nan 0.000 0.445 112 T N -3.735 110.749 114.554 -0.117 0.000 2.857 112 T HA -0.198 4.144 4.350 -0.014 0.000 0.266 112 T C 1.858 176.485 174.700 -0.121 0.000 1.048 112 T CA 1.444 63.422 62.100 -0.203 0.000 1.139 112 T CB -0.628 68.158 68.868 -0.138 0.000 0.874 112 T HN 0.463 nan 8.240 nan 0.000 0.455 113 Y N 2.213 122.437 120.300 -0.125 0.000 2.165 113 Y HA -0.146 4.397 4.550 -0.013 0.000 0.286 113 Y C 2.632 178.472 175.900 -0.098 0.000 1.155 113 Y CA 1.693 59.736 58.100 -0.094 0.000 1.164 113 Y CB -0.420 38.003 38.460 -0.062 0.000 0.978 113 Y HN 0.252 nan 8.280 nan 0.000 0.513 114 Q N -0.981 118.810 119.800 -0.015 0.000 2.297 114 Q HA -0.096 4.235 4.340 -0.014 0.000 0.204 114 Q C 1.468 177.371 176.000 -0.161 0.000 0.962 114 Q CA 0.687 56.441 55.803 -0.082 0.000 0.879 114 Q CB 0.011 28.752 28.738 0.006 0.000 0.947 114 Q HN 0.361 nan 8.270 nan 0.000 0.462 115 L N -0.971 120.125 121.223 -0.211 0.000 2.591 115 L HA 0.151 4.482 4.340 -0.014 0.000 0.228 115 L C 1.134 177.843 176.870 -0.267 0.000 1.133 115 L CA 1.199 55.888 54.840 -0.251 0.000 0.880 115 L CB -0.317 41.502 42.059 -0.400 0.000 1.033 115 L HN 0.310 nan 8.230 nan 0.000 0.450 116 G N -0.228 108.398 108.800 -0.290 0.000 2.149 116 G HA2 -0.234 3.718 3.960 -0.014 0.000 0.235 116 G HA3 -0.234 3.718 3.960 -0.014 0.000 0.235 116 G C 0.019 174.768 174.900 -0.253 0.000 1.018 116 G CA 0.187 45.116 45.100 -0.285 0.000 0.728 116 G HN 0.269 nan 8.290 nan 0.000 0.508 117 L N -0.257 120.817 121.223 -0.248 0.000 2.354 117 L HA 0.642 4.974 4.340 -0.014 0.000 0.269 117 L C -0.585 176.238 176.870 -0.077 0.000 1.005 117 L CA -1.191 53.535 54.840 -0.189 0.000 0.819 117 L CB 1.911 43.806 42.059 -0.272 0.000 1.311 117 L HN 0.076 nan 8.230 nan 0.000 0.423 118 D N 1.798 122.186 120.400 -0.020 0.000 2.317 118 D HA 0.206 4.838 4.640 -0.014 0.000 0.234 118 D C 0.557 176.885 176.300 0.047 0.000 1.112 118 D CA -0.237 53.783 54.000 0.032 0.000 0.840 118 D CB 1.607 42.432 40.800 0.042 0.000 1.078 118 D HN 0.495 nan 8.370 nan 0.000 0.486 119 M N 3.112 122.744 119.600 0.052 0.000 2.229 119 M HA -0.107 4.365 4.480 -0.014 0.000 0.264 119 M C 1.272 177.616 176.300 0.073 0.000 1.063 119 M CA 1.430 56.770 55.300 0.067 0.000 1.114 119 M CB 0.226 32.859 32.600 0.056 0.000 1.387 119 M HN 0.421 nan 8.290 nan 0.000 0.420 120 E N -0.129 120.106 120.200 0.057 0.000 2.110 120 E HA -0.256 4.086 4.350 -0.014 0.000 0.193 120 E C 1.829 178.462 176.600 0.055 0.000 0.988 120 E CA 1.363 57.793 56.400 0.050 0.000 0.804 120 E CB -0.190 29.537 29.700 0.045 0.000 0.745 120 E HN 0.641 nan 8.360 nan 0.000 0.458 121 E N 0.509 120.745 120.200 0.061 0.000 2.072 121 E HA -0.199 4.143 4.350 -0.014 0.000 0.191 121 E C 1.931 178.573 176.600 0.070 0.000 0.985 121 E CA 0.614 57.051 56.400 0.063 0.000 0.801 121 E CB 0.177 29.916 29.700 0.065 0.000 0.750 121 E HN 0.073 nan 8.360 nan 0.000 0.452 122 L N 1.390 122.676 121.223 0.105 0.000 2.056 122 L HA -0.132 4.200 4.340 -0.014 0.000 0.207 122 L C 2.088 179.021 176.870 0.105 0.000 1.078 122 L CA 1.647 56.583 54.840 0.160 0.000 0.749 122 L CB -0.707 41.497 42.059 0.242 0.000 0.901 122 L HN 0.131 nan 8.230 nan 0.000 0.433 123 E N -0.621 119.631 120.200 0.088 0.000 2.160 123 E HA -0.209 4.133 4.350 -0.014 0.000 0.195 123 E C 1.778 178.342 176.600 -0.061 0.000 0.991 123 E CA 0.903 57.326 56.400 0.039 0.000 0.810 123 E CB 0.008 29.732 29.700 0.041 0.000 0.742 123 E HN 0.414 nan 8.360 nan 0.000 0.466 124 E N 0.119 120.295 120.200 -0.040 0.000 2.418 124 E HA -0.089 4.253 4.350 -0.014 0.000 0.197 124 E C 1.801 178.336 176.600 -0.109 0.000 1.026 124 E CA 0.483 56.858 56.400 -0.042 0.000 0.862 124 E CB 0.086 29.798 29.700 0.020 0.000 0.799 124 E HN 0.397 nan 8.360 nan 0.000 0.518 125 I N 0.811 121.249 120.570 -0.219 0.000 2.716 125 I HA -0.097 4.065 4.170 -0.014 0.000 0.259 125 I C 1.362 177.169 176.117 -0.517 0.000 1.172 125 I CA 0.229 61.332 61.300 -0.328 0.000 1.478 125 I CB 0.128 37.940 38.000 -0.313 0.000 1.104 125 I HN -0.037 nan 8.210 nan 0.000 0.439 126 E N 2.737 122.497 120.200 -0.732 0.000 2.415 126 E HA -0.057 4.285 4.350 -0.014 0.000 0.263 126 E C -0.236 176.270 176.600 -0.155 0.000 0.995 126 E CA -0.151 55.900 56.400 -0.581 0.000 0.915 126 E CB 0.575 30.059 29.700 -0.360 0.000 0.951 126 E HN 0.092 nan 8.360 nan 0.000 0.449 127 E N 3.493 123.697 120.200 0.007 0.000 2.354 127 E HA 0.056 4.398 4.350 -0.014 0.000 0.269 127 E C -0.797 175.905 176.600 0.170 0.000 1.036 127 E CA -0.228 56.259 56.400 0.145 0.000 0.876 127 E CB 0.713 30.588 29.700 0.291 0.000 1.009 127 E HN 0.489 nan 8.360 nan 0.000 0.416 128 D N 0.849 121.323 120.400 0.123 0.000 2.455 128 D HA 0.121 4.753 4.640 -0.014 0.000 0.241 128 D C -0.273 176.074 176.300 0.078 0.000 1.138 128 D CA 0.257 54.307 54.000 0.083 0.000 0.877 128 D CB 0.534 41.370 40.800 0.060 0.000 1.187 128 D HN 0.372 nan 8.370 nan 0.000 0.451 129 A N 2.525 125.343 122.820 -0.004 0.000 2.671 129 A HA 0.460 4.772 4.320 -0.014 0.000 0.306 129 A C 1.045 178.471 177.584 -0.264 0.000 1.473 129 A CA -0.388 51.443 52.037 -0.344 0.000 1.155 129 A CB -0.284 18.589 19.000 -0.212 0.000 1.123 129 A HN 0.547 nan 8.150 nan 0.000 0.545 130 G N 2.099 110.681 108.800 -0.364 0.000 3.741 130 G HA2 0.415 4.367 3.960 -0.014 0.000 0.263 130 G HA3 0.415 4.367 3.960 -0.014 0.000 0.263 130 G C 0.292 174.936 174.900 -0.426 0.000 1.175 130 G CA -0.300 44.664 45.100 -0.227 0.000 1.642 130 G HN 0.688 nan 8.290 nan 0.000 0.644 131 L N 1.390 122.429 121.223 -0.307 0.000 2.939 131 L HA 0.393 4.725 4.340 -0.014 0.000 0.239 131 L C 1.019 177.824 176.870 -0.108 0.000 1.325 131 L CA -0.204 54.564 54.840 -0.121 0.000 1.170 131 L CB -0.331 41.778 42.059 0.084 0.000 1.538 131 L HN 0.339 nan 8.230 nan 0.000 0.452 132 G N -1.246 107.271 108.800 -0.471 0.000 2.608 132 G HA2 0.180 4.131 3.960 -0.014 0.000 0.291 132 G HA3 0.180 4.131 3.960 -0.014 0.000 0.291 132 G C -0.188 174.303 174.900 -0.680 0.000 1.425 132 G CA -0.450 44.385 45.100 -0.442 0.000 0.787 132 G HN -0.083 nan 8.290 nan 0.000 0.484 133 N N -0.872 117.649 118.700 -0.299 0.000 2.439 133 N HA 0.239 4.971 4.740 -0.014 0.000 0.176 133 N C 1.120 176.640 175.510 0.018 0.000 1.029 133 N CA 1.294 54.248 53.050 -0.161 0.000 0.886 133 N CB 1.358 39.838 38.487 -0.012 0.000 1.057 133 N HN 0.877 nan 8.380 nan 0.000 0.437 134 G N -0.684 108.204 108.800 0.147 0.000 2.725 134 G HA2 0.175 4.127 3.960 -0.014 0.000 0.098 134 G HA3 0.175 4.127 3.960 -0.014 0.000 0.098 134 G C 0.679 175.689 174.900 0.183 0.000 1.188 134 G CA 0.211 45.456 45.100 0.242 0.000 1.237 134 G HN 0.146 nan 8.290 nan 0.000 0.596 135 G N 0.355 109.211 108.800 0.093 0.000 2.418 135 G HA2 -0.031 3.921 3.960 -0.014 0.000 0.217 135 G HA3 -0.031 3.921 3.960 -0.014 0.000 0.217 135 G C 1.891 176.774 174.900 -0.028 0.000 1.158 135 G CA 1.512 46.628 45.100 0.026 0.000 0.771 135 G HN 0.831 nan 8.290 nan 0.000 0.545 136 L N 0.635 121.818 121.223 -0.067 0.000 2.046 136 L HA 0.103 4.434 4.340 -0.014 0.000 0.208 136 L C 2.807 179.604 176.870 -0.122 0.000 1.077 136 L CA 1.964 56.676 54.840 -0.213 0.000 0.747 136 L CB -0.553 41.332 42.059 -0.289 0.000 0.896 136 L HN 0.226 nan 8.230 nan 0.000 0.432 137 G N -0.627 108.167 108.800 -0.010 0.000 2.402 137 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.216 137 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.216 137 G C 1.686 176.655 174.900 0.115 0.000 1.162 137 G CA 0.447 45.574 45.100 0.045 0.000 0.777 137 G HN 0.213 nan 8.290 nan 0.000 0.539 138 R N 0.226 120.811 120.500 0.143 0.000 2.092 138 R HA 0.103 4.435 4.340 -0.014 0.000 0.231 138 R C 2.436 178.735 176.300 -0.002 0.000 1.119 138 R CA 0.761 56.917 56.100 0.092 0.000 0.970 138 R CB -1.114 29.207 30.300 0.034 0.000 0.864 138 R HN 0.374 nan 8.270 nan 0.000 0.440 139 L N 0.641 121.794 121.223 -0.117 0.000 2.042 139 L HA -0.092 4.240 4.340 -0.014 0.000 0.210 139 L C 2.179 178.762 176.870 -0.479 0.000 1.076 139 L CA 2.255 56.882 54.840 -0.355 0.000 0.749 139 L CB -0.813 40.992 42.059 -0.422 0.000 0.893 139 L HN 0.215 nan 8.230 nan 0.000 0.432 140 A N -0.693 121.984 122.820 -0.239 0.000 1.908 140 A HA -0.170 4.142 4.320 -0.014 0.000 0.218 140 A C 2.430 180.077 177.584 0.105 0.000 1.181 140 A CA 1.939 53.911 52.037 -0.107 0.000 0.627 140 A CB -1.132 17.771 19.000 -0.162 0.000 0.818 140 A HN 0.577 nan 8.150 nan 0.000 0.445 141 A N -1.158 121.752 122.820 0.150 0.000 1.898 141 A HA -0.128 4.184 4.320 -0.014 0.000 0.216 141 A C 2.302 179.963 177.584 0.127 0.000 1.181 141 A CA 1.571 53.720 52.037 0.186 0.000 0.620 141 A CB -1.228 17.868 19.000 0.159 0.000 0.819 141 A HN 0.595 nan 8.150 nan 0.000 0.442 142 C N -1.424 117.950 119.300 0.124 0.000 2.429 142 C HA -0.068 4.384 4.460 -0.014 0.000 0.277 142 C C 2.420 177.579 174.990 0.280 0.000 1.262 142 C CA 0.626 59.757 59.018 0.189 0.000 1.733 142 C CB -1.613 26.257 27.740 0.217 0.000 2.010 142 C HN 0.604 nan 8.230 nan 0.000 0.483 143 F N 1.191 121.127 119.950 -0.023 0.000 2.134 143 F HA -0.070 4.449 4.527 -0.014 0.000 0.299 143 F C 2.249 177.991 175.800 -0.095 0.000 1.097 143 F CA 1.021 58.956 58.000 -0.108 0.000 1.264 143 F CB -1.375 37.429 39.000 -0.327 0.000 1.001 143 F HN 0.191 nan 8.300 nan 0.000 0.479 144 L N -0.383 120.916 121.223 0.126 0.000 2.042 144 L HA -0.259 4.073 4.340 -0.014 0.000 0.210 144 L C 2.170 179.051 176.870 0.019 0.000 1.076 144 L CA 1.977 56.846 54.840 0.048 0.000 0.749 144 L CB -0.797 41.291 42.059 0.049 0.000 0.893 144 L HN 0.108 nan 8.230 nan 0.000 0.432 145 D N -0.460 119.961 120.400 0.036 0.000 2.104 145 D HA -0.182 4.450 4.640 -0.014 0.000 0.194 145 D C 2.209 178.525 176.300 0.028 0.000 0.994 145 D CA 1.579 55.587 54.000 0.013 0.000 0.830 145 D CB 0.186 40.992 40.800 0.011 0.000 0.959 145 D HN 0.082 nan 8.370 nan 0.000 0.452 146 S N -0.784 114.949 115.700 0.055 0.000 2.383 146 S HA -0.104 4.358 4.470 -0.014 0.000 0.227 146 S C 1.989 176.601 174.600 0.021 0.000 1.026 146 S CA 0.864 59.089 58.200 0.041 0.000 0.981 146 S CB -0.213 63.016 63.200 0.049 0.000 0.818 146 S HN 0.342 nan 8.310 nan 0.000 0.472 147 M N 0.927 120.532 119.600 0.009 0.000 2.159 147 M HA -0.084 4.388 4.480 -0.014 0.000 0.263 147 M C 2.461 178.763 176.300 0.004 0.000 1.063 147 M CA 1.400 56.703 55.300 0.004 0.000 1.110 147 M CB -0.507 32.076 32.600 -0.029 0.000 1.374 147 M HN 0.392 nan 8.290 nan 0.000 0.411 148 A N -0.222 122.596 122.820 -0.003 0.000 1.898 148 A HA -0.119 4.193 4.320 -0.014 0.000 0.216 148 A C 2.170 179.768 177.584 0.024 0.000 1.181 148 A CA 2.014 54.053 52.037 0.003 0.000 0.620 148 A CB -1.074 17.911 19.000 -0.025 0.000 0.819 148 A HN 0.417 nan 8.150 nan 0.000 0.442 149 T N 0.332 114.905 114.554 0.032 0.000 2.833 149 T HA -0.020 4.322 4.350 -0.014 0.000 0.269 149 T C 1.321 176.051 174.700 0.051 0.000 1.054 149 T CA 1.197 63.330 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 0.349 nan 8.240 nan 0.000 0.466 150 L N 0.392 121.641 121.223 0.044 0.000 2.653 150 L HA 0.312 4.644 4.340 -0.014 0.000 0.231 150 L C 1.617 178.519 176.870 0.054 0.000 1.153 150 L CA -0.064 54.804 54.840 0.046 0.000 0.933 150 L CB -0.377 41.709 42.059 0.045 0.000 1.175 150 L HN 0.393 nan 8.230 nan 0.000 0.473 151 G N 1.140 109.975 108.800 0.058 0.000 2.249 151 G HA2 -0.284 3.668 3.960 -0.014 0.000 0.273 151 G HA3 -0.284 3.668 3.960 -0.014 0.000 0.273 151 G C 0.107 175.060 174.900 0.087 0.000 1.036 151 G CA 0.024 45.176 45.100 0.087 0.000 0.824 151 G HN 0.285 nan 8.290 nan 0.000 0.504 152 L N -0.125 121.119 121.223 0.035 0.000 2.350 152 L HA 0.600 4.932 4.340 -0.014 0.000 0.275 152 L C 1.250 178.015 176.870 -0.174 0.000 1.099 152 L CA -0.333 54.482 54.840 -0.042 0.000 0.808 152 L CB 1.530 43.572 42.059 -0.029 0.000 1.149 152 L HN 0.262 nan 8.230 nan 0.000 0.442 153 A N 3.089 125.673 122.820 -0.393 0.000 2.981 153 A HA 0.543 4.855 4.320 -0.014 0.000 0.280 153 A C 0.314 177.564 177.584 -0.557 0.000 1.743 153 A CA -0.128 51.406 52.037 -0.839 0.000 1.430 153 A CB -0.708 17.679 19.000 -1.021 0.000 1.085 153 A HN 0.698 nan 8.150 nan 0.000 0.597 154 A N 1.566 124.098 122.820 -0.481 0.000 2.350 154 A HA 0.789 5.101 4.320 -0.014 0.000 0.324 154 A C -1.011 176.323 177.584 -0.417 0.000 1.118 154 A CA -0.470 51.354 52.037 -0.355 0.000 0.783 154 A CB 0.794 19.650 19.000 -0.239 0.000 1.236 154 A HN 0.619 nan 8.150 nan 0.000 0.457 155 Y N 0.430 120.662 120.300 -0.113 0.000 2.391 155 Y HA 0.538 5.081 4.550 -0.013 0.000 0.341 155 Y C 0.869 176.851 175.900 0.136 0.000 0.965 155 Y CA -0.609 57.498 58.100 0.013 0.000 1.067 155 Y CB 2.402 40.952 38.460 0.150 0.000 1.199 155 Y HN 0.828 nan 8.280 nan 0.000 0.450 156 G N 2.242 111.120 108.800 0.130 0.000 2.339 156 G HA2 0.429 4.381 3.960 -0.014 0.000 0.287 156 G HA3 0.429 4.381 3.960 -0.014 0.000 0.287 156 G C -1.712 173.194 174.900 0.010 0.000 1.163 156 G CA -0.202 44.999 45.100 0.169 0.000 0.872 156 G HN 0.526 nan 8.290 nan 0.000 0.464 157 Y N 1.117 121.651 120.300 0.390 0.000 2.350 157 Y HA 0.627 5.169 4.550 -0.014 0.000 0.338 157 Y C 0.755 176.964 175.900 0.515 0.000 0.961 157 Y CA 0.204 58.504 58.100 0.333 0.000 1.100 157 Y CB 2.648 41.327 38.460 0.364 0.000 1.179 157 Y HN 0.873 nan 8.280 nan 0.000 0.454 158 G N 2.322 111.448 108.800 0.545 0.000 2.753 158 G HA2 0.583 4.535 3.960 -0.014 0.000 0.303 158 G HA3 0.583 4.535 3.960 -0.014 0.000 0.303 158 G C -1.740 173.397 174.900 0.396 0.000 1.242 158 G CA -0.838 44.603 45.100 0.568 0.000 0.810 158 G HN 0.422 nan 8.290 nan 0.000 0.515 159 I N 0.609 121.307 120.570 0.213 0.000 2.441 159 I HA 0.434 4.596 4.170 -0.014 0.000 0.295 159 I C 0.327 176.356 176.117 -0.148 0.000 0.994 159 I CA -0.715 60.596 61.300 0.017 0.000 1.144 159 I CB 2.177 39.996 38.000 -0.301 0.000 1.314 159 I HN 0.338 nan 8.210 nan 0.000 0.445 160 R N 6.125 126.636 120.500 0.017 0.000 2.608 160 R HA 0.222 4.554 4.340 -0.014 0.000 0.277 160 R C -1.264 175.085 176.300 0.080 0.000 1.341 160 R CA -0.438 55.700 56.100 0.065 0.000 1.199 160 R CB -0.036 30.278 30.300 0.023 0.000 1.156 160 R HN 0.405 nan 8.270 nan 0.000 0.558 161 Y N 1.622 122.078 120.300 0.259 0.000 2.526 161 Y HA -0.077 4.465 4.550 -0.014 0.000 0.330 161 Y C 1.583 177.658 175.900 0.292 0.000 1.156 161 Y CA 0.063 58.306 58.100 0.238 0.000 1.419 161 Y CB 0.808 39.386 38.460 0.196 0.000 1.250 161 Y HN 0.594 nan 8.280 nan 0.000 0.540 162 E N 2.266 122.638 120.200 0.287 0.000 2.106 162 E HA -0.085 4.256 4.350 -0.014 0.000 0.192 162 E C -0.729 175.728 176.600 -0.237 0.000 0.984 162 E CA 0.777 57.142 56.400 -0.059 0.000 0.806 162 E CB 0.161 29.725 29.700 -0.228 0.000 0.750 162 E HN 0.504 nan 8.360 nan 0.000 0.458 163 F N -0.321 119.848 119.950 0.364 0.000 2.477 163 F HA 0.447 4.966 4.527 -0.014 0.000 0.335 163 F C 0.774 176.665 175.800 0.152 0.000 1.130 163 F CA -0.851 57.322 58.000 0.288 0.000 0.948 163 F CB 1.862 40.962 39.000 0.167 0.000 1.154 163 F HN -0.106 nan 8.300 nan 0.000 0.439 164 G N 1.798 110.705 108.800 0.179 0.000 2.531 164 G HA2 0.350 4.302 3.960 -0.014 0.000 0.253 164 G HA3 0.350 4.302 3.960 -0.014 0.000 0.253 164 G C -0.523 174.331 174.900 -0.076 0.000 1.439 164 G CA -0.693 44.351 45.100 -0.092 0.000 1.056 164 G HN 0.548 nan 8.290 nan 0.000 0.555 165 I N 0.951 121.392 120.570 -0.215 0.000 2.752 165 I HA 0.182 4.344 4.170 -0.014 0.000 0.289 165 I C 0.555 176.571 176.117 -0.167 0.000 1.197 165 I CA -1.083 60.065 61.300 -0.253 0.000 1.432 165 I CB -0.349 37.397 38.000 -0.423 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.249 126.208 119.950 0.014 0.000 2.595 166 F HA 0.241 4.760 4.527 -0.013 0.000 0.359 166 F C 0.554 176.402 175.800 0.081 0.000 1.147 166 F CA -0.603 57.427 58.000 0.051 0.000 1.341 166 F CB -0.357 38.662 39.000 0.032 0.000 1.104 166 F HN 0.423 nan 8.300 nan 0.000 0.603 167 N N 2.334 121.206 118.700 0.288 0.000 2.497 167 N HA 0.038 4.769 4.740 -0.014 0.000 0.271 167 N C -0.778 174.965 175.510 0.389 0.000 1.142 167 N CA -0.220 52.977 53.050 0.245 0.000 0.965 167 N CB 1.088 39.704 38.487 0.215 0.000 1.077 167 N HN 0.757 nan 8.380 nan 0.000 0.462 168 Q N 2.610 122.609 119.800 0.332 0.000 2.303 168 Q HA 0.164 4.496 4.340 -0.014 0.000 0.257 168 Q C -0.949 175.218 176.000 0.277 0.000 0.941 168 Q CA -0.491 55.542 55.803 0.383 0.000 0.931 168 Q CB 0.656 29.627 28.738 0.390 0.000 1.215 168 Q HN 0.228 nan 8.270 nan 0.000 0.437 169 K N 4.100 124.639 120.400 0.232 0.000 2.156 169 K HA 0.471 4.783 4.320 -0.014 0.000 0.254 169 K C -0.513 176.185 176.600 0.164 0.000 0.950 169 K CA -0.869 55.531 56.287 0.188 0.000 0.849 169 K CB 1.524 34.112 32.500 0.148 0.000 1.100 169 K HN 0.622 nan 8.250 nan 0.000 0.434 170 I N 1.825 122.485 120.570 0.150 0.000 2.330 170 I HA 0.179 4.341 4.170 -0.014 0.000 0.289 170 I C -0.198 175.975 176.117 0.095 0.000 1.001 170 I CA -0.689 60.670 61.300 0.099 0.000 1.193 170 I CB 1.010 39.052 38.000 0.071 0.000 1.345 170 I HN 0.457 nan 8.210 nan 0.000 0.461 171 C N 4.773 124.138 119.300 0.109 0.000 2.346 171 C HA 0.622 5.073 4.460 -0.014 0.000 0.326 171 C C 1.091 176.183 174.990 0.170 0.000 1.224 171 C CA 0.220 59.308 59.018 0.116 0.000 1.408 171 C CB 0.099 27.901 27.740 0.104 0.000 2.089 171 C HN 1.096 nan 8.230 nan 0.000 0.456 172 G N 3.812 112.686 108.800 0.123 0.000 2.225 172 G HA2 0.067 4.019 3.960 -0.014 0.000 0.267 172 G HA3 0.067 4.019 3.960 -0.014 0.000 0.267 172 G C 1.185 176.103 174.900 0.030 0.000 1.024 172 G CA 1.161 46.345 45.100 0.141 0.000 0.784 172 G HN 2.537 nan 8.290 nan 0.000 0.507 173 G N -2.874 105.883 108.800 -0.071 0.000 2.179 173 G HA2 -0.296 3.656 3.960 -0.014 0.000 0.260 173 G HA3 -0.296 3.656 3.960 -0.014 0.000 0.260 173 G C 0.367 175.022 174.900 -0.408 0.000 0.977 173 G CA 0.686 45.618 45.100 -0.279 0.000 0.641 173 G HN 1.211 nan 8.290 nan 0.000 0.533 174 W N 0.831 122.078 121.300 -0.088 0.000 2.512 174 W HA 0.657 5.309 4.660 -0.013 0.000 0.335 174 W C 0.646 177.111 176.519 -0.091 0.000 1.088 174 W CA -0.908 56.378 57.345 -0.098 0.000 1.236 174 W CB 0.844 30.263 29.460 -0.068 0.000 1.307 174 W HN 0.243 nan 8.180 nan 0.000 0.567 175 Q N 3.284 123.175 119.800 0.152 0.000 2.313 175 Q HA 0.193 4.525 4.340 -0.014 0.000 0.266 175 Q C -0.548 175.507 176.000 0.091 0.000 0.989 175 Q CA 0.244 56.107 55.803 0.099 0.000 0.890 175 Q CB 0.512 29.299 28.738 0.081 0.000 1.200 175 Q HN 0.324 nan 8.270 nan 0.000 0.396 176 M N 3.144 122.794 119.600 0.083 0.000 2.456 176 M HA 0.388 4.860 4.480 -0.014 0.000 0.324 176 M C -1.036 175.276 176.300 0.020 0.000 1.124 176 M CA -0.695 54.623 55.300 0.030 0.000 0.959 176 M CB 1.825 34.455 32.600 0.049 0.000 1.692 176 M HN 0.603 nan 8.290 nan 0.000 0.444 177 E N 1.649 121.794 120.200 -0.092 0.000 2.204 177 E HA 0.476 4.818 4.350 -0.014 0.000 0.276 177 E C -0.734 175.865 176.600 -0.001 0.000 0.974 177 E CA -0.564 55.755 56.400 -0.136 0.000 0.815 177 E CB 1.642 31.020 29.700 -0.536 0.000 1.119 177 E HN 0.534 nan 8.360 nan 0.000 0.393 178 E N 0.698 120.973 120.200 0.125 0.000 2.367 178 E HA 0.722 5.064 4.350 -0.014 0.000 0.273 178 E C -1.156 175.534 176.600 0.149 0.000 0.903 178 E CA -1.504 54.957 56.400 0.101 0.000 0.764 178 E CB 1.405 31.168 29.700 0.106 0.000 1.252 178 E HN 0.450 nan 8.360 nan 0.000 0.446 179 A N 2.076 124.940 122.820 0.074 0.000 2.546 179 A HA 0.067 4.379 4.320 -0.014 0.000 0.243 179 A C -0.101 177.642 177.584 0.264 0.000 1.063 179 A CA 0.270 52.356 52.037 0.080 0.000 0.757 179 A CB -0.092 18.817 19.000 -0.153 0.000 0.991 179 A HN 0.693 nan 8.150 nan 0.000 0.503 180 D N 1.934 122.558 120.400 0.374 0.000 2.483 180 D HA 0.172 4.804 4.640 -0.014 0.000 0.220 180 D C -0.356 176.283 176.300 0.565 0.000 1.173 180 D CA -0.170 54.066 54.000 0.392 0.000 0.964 180 D CB 0.322 41.286 40.800 0.274 0.000 1.046 180 D HN 0.383 nan 8.370 nan 0.000 0.517 181 D N 3.812 124.503 120.400 0.486 0.000 2.801 181 D HA -0.031 4.601 4.640 -0.014 0.000 0.232 181 D C 1.122 177.560 176.300 0.231 0.000 1.128 181 D CA -0.541 53.673 54.000 0.358 0.000 1.003 181 D CB -0.217 40.780 40.800 0.329 0.000 1.110 181 D HN 0.567 nan 8.370 nan 0.000 0.477 182 W N 1.564 122.902 121.300 0.064 0.000 2.525 182 W HA -0.034 4.618 4.660 -0.013 0.000 0.259 182 W C 0.093 176.665 176.519 0.087 0.000 1.253 182 W CA 0.088 57.489 57.345 0.094 0.000 1.262 182 W CB -0.717 28.800 29.460 0.095 0.000 1.122 182 W HN 0.172 nan 8.180 nan 0.000 0.607 183 L N 0.947 121.820 121.223 -0.585 0.000 2.607 183 L HA 0.197 4.529 4.340 -0.014 0.000 0.228 183 L C 2.753 179.457 176.870 -0.278 0.000 1.123 183 L CA -0.054 54.410 54.840 -0.628 0.000 0.890 183 L CB -0.595 40.963 42.059 -0.835 0.000 1.103 183 L HN -0.119 nan 8.230 nan 0.000 0.468 184 R N 0.524 120.922 120.500 -0.170 0.000 2.113 184 R HA -0.229 4.102 4.340 -0.014 0.000 0.244 184 R C 1.366 177.485 176.300 -0.302 0.000 1.142 184 R CA 2.094 58.054 56.100 -0.233 0.000 0.953 184 R CB -0.177 29.966 30.300 -0.261 0.000 0.860 184 R HN 0.313 nan 8.270 nan 0.000 0.438 185 Y N -0.486 119.827 120.300 0.020 0.000 2.457 185 Y HA 0.314 4.856 4.550 -0.013 0.000 0.263 185 Y C 0.852 176.736 175.900 -0.027 0.000 1.164 185 Y CA 0.477 58.597 58.100 0.033 0.000 1.274 185 Y CB 0.883 39.472 38.460 0.216 0.000 1.097 185 Y HN 0.432 nan 8.280 nan 0.000 0.523 186 G N 1.260 110.098 108.800 0.064 0.000 2.662 186 G HA2 -0.218 3.734 3.960 -0.014 0.000 0.686 186 G HA3 -0.218 3.734 3.960 -0.014 0.000 0.686 186 G C -1.268 173.701 174.900 0.115 0.000 1.271 186 G CA -0.822 44.284 45.100 0.011 0.000 0.816 186 G HN 0.241 nan 8.290 nan 0.000 0.608 187 N N 1.147 119.861 118.700 0.023 0.000 2.569 187 N HA 0.580 5.312 4.740 -0.014 0.000 0.254 187 N C -0.678 174.832 175.510 0.000 0.000 1.004 187 N CA -1.987 51.094 53.050 0.052 0.000 0.904 187 N CB 2.040 40.498 38.487 -0.049 0.000 1.165 187 N HN 0.229 nan 8.380 nan 0.000 0.513 188 P HA 0.008 nan 4.420 nan 0.000 0.226 188 P C 0.685 177.692 177.300 -0.487 0.000 1.153 188 P CA 0.793 63.583 63.100 -0.516 0.000 0.777 188 P CB 0.118 31.178 31.700 -1.067 0.000 0.794 189 W N 1.930 123.236 121.300 0.010 0.000 2.476 189 W HA 0.028 4.680 4.660 -0.013 0.000 0.281 189 W C 1.331 177.887 176.519 0.062 0.000 1.230 189 W CA -0.282 57.066 57.345 0.004 0.000 1.287 189 W CB -0.363 29.100 29.460 0.005 0.000 1.108 189 W HN 0.007 nan 8.180 nan 0.000 0.567 190 E N 1.775 122.149 120.200 0.290 0.000 2.349 190 E HA 0.294 4.636 4.350 -0.014 0.000 0.265 190 E C -0.643 176.131 176.600 0.289 0.000 1.064 190 E CA -0.685 55.899 56.400 0.306 0.000 0.886 190 E CB 1.279 31.173 29.700 0.324 0.000 1.036 190 E HN -0.308 nan 8.360 nan 0.000 0.413 191 K N 1.627 122.214 120.400 0.311 0.000 2.535 191 K HA 0.410 4.722 4.320 -0.014 0.000 0.253 191 K C -1.143 175.477 176.600 0.033 0.000 0.953 191 K CA -0.472 55.926 56.287 0.185 0.000 0.863 191 K CB 1.538 34.151 32.500 0.188 0.000 1.111 191 K HN 0.664 nan 8.250 nan 0.000 0.431 192 A N 4.169 126.909 122.820 -0.133 0.000 2.511 192 A HA 0.287 4.599 4.320 -0.014 0.000 0.242 192 A C -0.237 177.139 177.584 -0.347 0.000 1.069 192 A CA -0.002 51.684 52.037 -0.586 0.000 0.763 192 A CB 0.196 18.848 19.000 -0.581 0.000 1.001 192 A HN 0.675 nan 8.150 nan 0.000 0.498 193 R N 3.203 123.487 120.500 -0.360 0.000 2.835 193 R HA 0.203 4.535 4.340 -0.014 0.000 0.290 193 R C -2.350 173.808 176.300 -0.237 0.000 1.410 193 R CA -1.683 54.279 56.100 -0.229 0.000 1.590 193 R CB 0.635 30.943 30.300 0.012 0.000 1.288 193 R HN 0.572 nan 8.270 nan 0.000 0.637 194 P HA -0.178 nan 4.420 nan 0.000 0.221 194 P C 0.946 178.152 177.300 -0.157 0.000 1.145 194 P CA 1.074 64.085 63.100 -0.149 0.000 0.795 194 P CB 0.387 32.009 31.700 -0.129 0.000 0.775 195 E N -0.164 119.835 120.200 -0.335 0.000 2.268 195 E HA -0.144 4.198 4.350 -0.014 0.000 0.195 195 E C 0.661 177.084 176.600 -0.295 0.000 0.995 195 E CA 0.967 57.124 56.400 -0.404 0.000 0.836 195 E CB -0.889 28.427 29.700 -0.639 0.000 0.763 195 E HN 0.263 nan 8.360 nan 0.000 0.491 196 F N 1.994 121.961 119.950 0.028 0.000 2.668 196 F HA 0.280 4.799 4.527 -0.014 0.000 0.297 196 F C 0.446 176.340 175.800 0.158 0.000 1.124 196 F CA -0.649 57.398 58.000 0.078 0.000 1.353 196 F CB -0.194 38.847 39.000 0.069 0.000 0.992 196 F HN -0.301 nan 8.300 nan 0.000 0.524 197 T N 2.851 117.547 114.554 0.237 0.000 2.928 197 T HA 0.302 4.644 4.350 -0.014 0.000 0.305 197 T C -0.196 174.606 174.700 0.170 0.000 1.035 197 T CA 0.355 62.589 62.100 0.224 0.000 1.145 197 T CB 0.593 69.542 68.868 0.135 0.000 0.963 197 T HN -0.157 nan 8.240 nan 0.000 0.545 198 L N 6.026 127.318 121.223 0.116 0.000 2.381 198 L HA 0.538 4.870 4.340 -0.014 0.000 0.268 198 L C -2.206 174.618 176.870 -0.077 0.000 0.997 198 L CA -2.554 52.280 54.840 -0.010 0.000 0.818 198 L CB 1.916 43.898 42.059 -0.128 0.000 1.310 198 L HN 0.381 nan 8.230 nan 0.000 0.416 199 P HA 0.335 nan 4.420 nan 0.000 0.284 199 P C -1.124 176.037 177.300 -0.232 0.000 1.253 199 P CA -0.324 62.689 63.100 -0.145 0.000 0.800 199 P CB 1.572 33.182 31.700 -0.151 0.000 0.961 200 V N 4.052 123.814 119.914 -0.253 0.000 2.604 200 V HA 0.320 4.432 4.120 -0.014 0.000 0.305 200 V C 0.209 176.070 176.094 -0.389 0.000 1.043 200 V CA -0.627 61.502 62.300 -0.284 0.000 0.888 200 V CB 1.419 33.111 31.823 -0.217 0.000 0.995 200 V HN 0.598 nan 8.190 nan 0.000 0.429 201 H N 3.867 122.776 119.070 -0.268 0.000 2.463 201 H HA 0.618 5.166 4.556 -0.014 0.000 0.332 201 H C -1.278 173.791 175.328 -0.431 0.000 1.127 201 H CA -0.129 55.692 56.048 -0.378 0.000 1.238 201 H CB 1.856 31.162 29.762 -0.760 0.000 1.478 201 H HN 0.482 nan 8.280 nan 0.000 0.499 202 F N 0.401 120.419 119.950 0.114 0.000 2.613 202 F HA 0.202 4.721 4.527 -0.014 0.000 0.314 202 F C -0.266 175.657 175.800 0.205 0.000 1.075 202 F CA -0.541 57.531 58.000 0.121 0.000 0.945 202 F CB 1.173 40.156 39.000 -0.030 0.000 1.310 202 F HN 0.564 nan 8.300 nan 0.000 0.467 203 Y N 0.249 120.856 120.300 0.512 0.000 2.896 203 Y HA -0.036 4.506 4.550 -0.013 0.000 0.466 203 Y C 1.386 177.542 175.900 0.427 0.000 1.197 203 Y CA 0.649 58.964 58.100 0.359 0.000 2.513 203 Y CB -1.951 36.646 38.460 0.228 0.000 1.232 203 Y HN 1.275 nan 8.280 nan 0.000 0.632 204 G N 0.785 109.858 108.800 0.456 0.000 2.598 204 G HA2 0.074 4.026 3.960 -0.014 0.000 0.244 204 G HA3 0.074 4.026 3.960 -0.014 0.000 0.244 204 G C -0.539 174.574 174.900 0.356 0.000 1.302 204 G CA 1.002 46.291 45.100 0.315 0.000 0.903 204 G HN 1.367 nan 8.290 nan 0.000 0.575 205 R N -2.563 118.143 120.500 0.345 0.000 2.734 205 R HA 0.696 5.028 4.340 -0.014 0.000 0.271 205 R C -1.356 175.088 176.300 0.240 0.000 1.021 205 R CA -1.014 55.234 56.100 0.246 0.000 0.893 205 R CB 1.337 31.726 30.300 0.147 0.000 1.244 205 R HN 0.851 nan 8.270 nan 0.000 0.464 206 V N 0.893 120.865 119.914 0.096 0.000 2.427 206 V HA 0.345 4.457 4.120 -0.014 0.000 0.286 206 V C -0.170 175.866 176.094 -0.097 0.000 1.034 206 V CA -0.429 61.853 62.300 -0.029 0.000 0.893 206 V CB 1.297 33.034 31.823 -0.142 0.000 0.982 206 V HN 0.748 nan 8.190 nan 0.000 0.452 207 E N 3.206 123.317 120.200 -0.147 0.000 2.176 207 E HA 0.389 4.731 4.350 -0.014 0.000 0.267 207 E C -1.098 175.358 176.600 -0.240 0.000 0.893 207 E CA -0.717 55.615 56.400 -0.113 0.000 0.761 207 E CB 0.897 30.582 29.700 -0.025 0.000 1.133 207 E HN 0.736 nan 8.360 nan 0.000 0.409 208 H N 2.881 121.966 119.070 0.025 0.000 2.519 208 H HA 0.211 4.759 4.556 -0.014 0.000 0.316 208 H C 0.197 175.534 175.328 0.014 0.000 1.065 208 H CA -0.277 55.780 56.048 0.016 0.000 1.264 208 H CB 1.412 31.179 29.762 0.008 0.000 1.413 208 H HN 0.579 nan 8.280 nan 0.000 0.465 209 T N -0.732 113.884 114.554 0.103 0.000 2.889 209 T HA 0.187 4.528 4.350 -0.014 0.000 0.278 209 T C 1.429 176.167 174.700 0.064 0.000 0.995 209 T CA -0.781 61.359 62.100 0.066 0.000 0.966 209 T CB 1.096 69.986 68.868 0.037 0.000 1.237 209 T HN 0.346 nan 8.240 nan 0.000 0.591 210 S N -0.148 115.577 115.700 0.042 0.000 2.419 210 S HA -0.061 4.401 4.470 -0.014 0.000 0.233 210 S C 1.267 175.887 174.600 0.033 0.000 1.016 210 S CA 1.052 59.272 58.200 0.033 0.000 0.974 210 S CB -0.364 62.851 63.200 0.024 0.000 0.786 210 S HN 0.715 nan 8.310 nan 0.000 0.492 211 Q N 0.371 120.192 119.800 0.034 0.000 2.553 211 Q HA 0.492 4.824 4.340 -0.014 0.000 0.395 211 Q C 0.248 176.270 176.000 0.036 0.000 0.971 211 Q CA 0.123 55.944 55.803 0.031 0.000 1.090 211 Q CB 0.082 28.834 28.738 0.023 0.000 1.328 211 Q HN 0.413 nan 8.270 nan 0.000 0.413 212 G N -0.106 108.726 108.800 0.053 0.000 2.631 212 G HA2 0.100 4.052 3.960 -0.014 0.000 0.504 212 G HA3 0.100 4.052 3.960 -0.014 0.000 0.504 212 G C -0.779 174.159 174.900 0.064 0.000 1.306 212 G CA -0.619 44.520 45.100 0.065 0.000 0.897 212 G HN 0.620 nan 8.290 nan 0.000 0.520 213 A N -0.119 122.724 122.820 0.038 0.000 2.302 213 A HA 0.777 5.089 4.320 -0.014 0.000 0.285 213 A C 0.355 177.895 177.584 -0.073 0.000 1.105 213 A CA 0.147 52.130 52.037 -0.090 0.000 0.816 213 A CB 0.780 19.696 19.000 -0.140 0.000 1.067 213 A HN 0.762 nan 8.150 nan 0.000 0.489 214 K N 0.605 120.946 120.400 -0.098 0.000 2.482 214 K HA 0.192 4.504 4.320 -0.014 0.000 0.251 214 K C -1.948 174.684 176.600 0.054 0.000 0.936 214 K CA -0.333 55.944 56.287 -0.017 0.000 0.791 214 K CB 2.182 34.674 32.500 -0.014 0.000 1.213 214 K HN 0.737 nan 8.250 nan 0.000 0.428 215 W N 5.388 126.606 121.300 -0.136 0.000 2.308 215 W HA 0.355 5.006 4.660 -0.014 0.000 0.311 215 W C -0.651 175.809 176.519 -0.099 0.000 1.088 215 W CA -0.782 56.490 57.345 -0.121 0.000 1.309 215 W CB 0.176 29.553 29.460 -0.139 0.000 1.229 215 W HN 0.300 nan 8.180 nan 0.000 0.427 216 V N 2.805 122.764 119.914 0.075 0.000 3.126 216 V HA 0.608 4.719 4.120 -0.014 0.000 0.314 216 V C -0.176 175.892 176.094 -0.042 0.000 1.138 216 V CA -0.983 61.290 62.300 -0.045 0.000 1.034 216 V CB 2.002 33.828 31.823 0.005 0.000 1.075 216 V HN 0.464 nan 8.190 nan 0.000 0.442 217 D N 0.290 120.665 120.400 -0.041 0.000 2.772 217 D HA -0.138 4.494 4.640 -0.014 0.000 0.233 217 D C 0.545 176.846 176.300 0.003 0.000 1.143 217 D CA 1.515 55.513 54.000 -0.003 0.000 0.700 217 D CB -1.588 39.232 40.800 0.033 0.000 1.076 217 D HN 1.299 nan 8.370 nan 0.000 0.430 218 T N -2.806 111.706 114.554 -0.070 0.000 2.899 218 T HA 0.481 4.823 4.350 -0.014 0.000 0.284 218 T C 0.463 175.210 174.700 0.079 0.000 1.004 218 T CA -0.734 61.336 62.100 -0.049 0.000 1.043 218 T CB 1.977 70.656 68.868 -0.316 0.000 1.013 218 T HN 0.037 nan 8.240 nan 0.000 0.518 219 Q N 0.667 120.585 119.800 0.195 0.000 2.243 219 Q HA 0.550 4.882 4.340 -0.014 0.000 0.252 219 Q C -0.918 175.205 176.000 0.204 0.000 0.909 219 Q CA -0.840 55.099 55.803 0.227 0.000 0.922 219 Q CB 1.786 30.736 28.738 0.353 0.000 1.215 219 Q HN 0.516 nan 8.270 nan 0.000 0.427 220 V N 3.262 123.255 119.914 0.132 0.000 2.427 220 V HA 0.387 4.499 4.120 -0.014 0.000 0.286 220 V C -0.297 175.894 176.094 0.163 0.000 1.034 220 V CA -0.632 61.675 62.300 0.011 0.000 0.893 220 V CB 1.644 33.414 31.823 -0.089 0.000 0.982 220 V HN 0.487 nan 8.190 nan 0.000 0.452 221 V N 6.011 126.033 119.914 0.180 0.000 2.540 221 V HA 0.478 4.590 4.120 -0.014 0.000 0.302 221 V C -0.119 176.085 176.094 0.183 0.000 1.035 221 V CA -0.652 61.784 62.300 0.226 0.000 0.873 221 V CB 1.888 33.928 31.823 0.361 0.000 0.992 221 V HN 0.637 nan 8.190 nan 0.000 0.428 222 L N 3.596 124.918 121.223 0.166 0.000 2.350 222 L HA 0.708 5.040 4.340 -0.014 0.000 0.275 222 L C 0.499 177.551 176.870 0.302 0.000 1.099 222 L CA -0.272 54.663 54.840 0.159 0.000 0.808 222 L CB 1.232 43.363 42.059 0.120 0.000 1.149 222 L HN 0.762 nan 8.230 nan 0.000 0.442 223 A N 5.206 128.148 122.820 0.204 0.000 2.267 223 A HA 0.570 4.882 4.320 -0.014 0.000 0.315 223 A C -0.457 177.396 177.584 0.449 0.000 1.297 223 A CA -0.479 51.716 52.037 0.263 0.000 0.865 223 A CB 0.888 19.610 19.000 -0.463 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.513 224 M N 5.907 125.825 119.600 0.530 0.000 2.129 224 M HA 0.459 4.930 4.480 -0.014 0.000 0.348 224 M C -2.605 173.965 176.300 0.449 0.000 1.116 224 M CA -2.129 53.426 55.300 0.425 0.000 1.022 224 M CB 1.922 34.691 32.600 0.282 0.000 1.599 224 M HN 0.332 nan 8.290 nan 0.000 0.449 225 P HA 0.255 nan 4.420 nan 0.000 0.284 225 P C -1.930 175.324 177.300 -0.075 0.000 1.253 225 P CA 0.003 63.028 63.100 -0.125 0.000 0.800 225 P CB 0.485 31.937 31.700 -0.414 0.000 0.961 226 Y N 0.637 120.883 120.300 -0.089 0.000 2.331 226 Y HA 0.326 4.868 4.550 -0.014 0.000 0.334 226 Y C 0.216 176.110 175.900 -0.009 0.000 0.960 226 Y CA -0.296 57.804 58.100 0.000 0.000 1.130 226 Y CB 1.284 39.773 38.460 0.049 0.000 1.164 226 Y HN 0.219 nan 8.280 nan 0.000 0.458 227 D N 1.972 122.486 120.400 0.190 0.000 2.193 227 D HA 0.404 5.036 4.640 -0.014 0.000 0.244 227 D C -0.593 175.938 176.300 0.386 0.000 1.064 227 D CA -0.223 53.931 54.000 0.257 0.000 0.845 227 D CB 1.733 42.713 40.800 0.299 0.000 1.148 227 D HN 0.370 nan 8.370 nan 0.000 0.464 228 T N 3.150 117.837 114.554 0.222 0.000 2.824 228 T HA 0.462 4.804 4.350 -0.014 0.000 0.282 228 T C -2.538 172.004 174.700 -0.263 0.000 0.993 228 T CA -1.475 60.648 62.100 0.038 0.000 0.967 228 T CB 2.056 70.943 68.868 0.032 0.000 0.960 228 T HN 0.164 nan 8.240 nan 0.000 0.441 229 P HA 0.308 nan 4.420 nan 0.000 0.275 229 P C -0.984 175.985 177.300 -0.552 0.000 1.227 229 P CA -0.390 62.025 63.100 -1.141 0.000 0.781 229 P CB 0.793 31.579 31.700 -1.525 0.000 0.906 230 V N 5.127 124.784 119.914 -0.427 0.000 2.305 230 V HA 0.267 4.379 4.120 -0.014 0.000 0.275 230 V C -2.090 173.873 176.094 -0.217 0.000 1.020 230 V CA -1.934 60.206 62.300 -0.266 0.000 0.811 230 V CB 1.316 33.030 31.823 -0.181 0.000 1.031 230 V HN 0.541 nan 8.190 nan 0.000 0.439 231 P HA 0.276 nan 4.420 nan 0.000 0.280 231 P C 0.367 177.617 177.300 -0.084 0.000 1.244 231 P CA 0.262 63.274 63.100 -0.146 0.000 0.784 231 P CB 1.497 33.107 31.700 -0.149 0.000 0.913 232 G N 2.143 110.912 108.800 -0.052 0.000 2.572 232 G HA2 0.127 4.078 3.960 -0.014 0.000 0.261 232 G HA3 0.127 4.078 3.960 -0.014 0.000 0.261 232 G C -1.127 173.783 174.900 0.017 0.000 1.197 232 G CA -0.558 44.539 45.100 -0.004 0.000 0.870 232 G HN 0.514 nan 8.290 nan 0.000 0.548 233 Y N 0.755 121.018 120.300 -0.062 0.000 2.674 233 Y HA 0.247 4.788 4.550 -0.014 0.000 0.354 233 Y C 1.223 177.086 175.900 -0.060 0.000 1.089 233 Y CA -0.193 57.866 58.100 -0.069 0.000 1.444 233 Y CB 0.018 38.436 38.460 -0.071 0.000 1.187 233 Y HN 0.720 nan 8.280 nan 0.000 0.523 234 R N 2.832 123.050 120.500 -0.471 0.000 3.627 234 R HA -0.317 4.015 4.340 -0.014 0.000 0.281 234 R C 0.066 176.232 176.300 -0.223 0.000 1.140 234 R CA 1.436 57.278 56.100 -0.431 0.000 0.761 234 R CB -1.905 27.980 30.300 -0.693 0.000 1.181 234 R HN 0.949 nan 8.270 nan 0.000 0.472 235 N N -1.345 117.275 118.700 -0.133 0.000 2.177 235 N HA 0.058 4.789 4.740 -0.014 0.000 0.218 235 N C -0.159 175.307 175.510 -0.073 0.000 1.182 235 N CA -0.323 52.679 53.050 -0.079 0.000 0.882 235 N CB 0.520 38.986 38.487 -0.035 0.000 1.052 235 N HN 0.091 nan 8.380 nan 0.000 0.519 236 N N -0.221 118.431 118.700 -0.080 0.000 2.778 236 N HA -0.137 4.595 4.740 -0.014 0.000 0.249 236 N C -0.845 174.628 175.510 -0.063 0.000 1.069 236 N CA 0.621 53.630 53.050 -0.067 0.000 0.831 236 N CB -1.336 37.111 38.487 -0.066 0.000 1.142 236 N HN 0.191 nan 8.380 nan 0.000 0.573 237 V N 1.265 121.146 119.914 -0.054 0.000 2.498 237 V HA 0.363 4.475 4.120 -0.014 0.000 0.279 237 V C 0.651 176.720 176.094 -0.041 0.000 1.048 237 V CA -0.369 61.907 62.300 -0.039 0.000 0.967 237 V CB 1.955 33.781 31.823 0.005 0.000 0.988 237 V HN -0.020 nan 8.190 nan 0.000 0.473 238 V N 5.556 125.452 119.914 -0.031 0.000 2.419 238 V HA 0.436 4.548 4.120 -0.014 0.000 0.287 238 V C -0.078 176.020 176.094 0.007 0.000 1.017 238 V CA -0.861 61.399 62.300 -0.067 0.000 0.844 238 V CB 1.486 33.248 31.823 -0.101 0.000 1.011 238 V HN 0.843 nan 8.190 nan 0.000 0.429 239 N N 1.988 120.661 118.700 -0.046 0.000 2.448 239 N HA 0.573 5.305 4.740 -0.014 0.000 0.274 239 N C -0.069 175.429 175.510 -0.019 0.000 1.239 239 N CA -0.314 52.726 53.050 -0.017 0.000 0.982 239 N CB 1.241 39.676 38.487 -0.088 0.000 1.199 239 N HN 0.584 nan 8.380 nan 0.000 0.576 240 T N 0.732 115.280 114.554 -0.009 0.000 2.841 240 T HA 0.397 4.739 4.350 -0.014 0.000 0.283 240 T C -0.227 174.443 174.700 -0.050 0.000 1.000 240 T CA -0.513 61.653 62.100 0.111 0.000 0.977 240 T CB 1.106 70.157 68.868 0.305 0.000 0.979 240 T HN 0.297 nan 8.240 nan 0.000 0.446 241 M N 3.764 123.301 119.600 -0.104 0.000 2.101 241 M HA 0.494 4.966 4.480 -0.014 0.000 0.340 241 M C -0.468 175.693 176.300 -0.232 0.000 1.057 241 M CA -0.743 54.407 55.300 -0.250 0.000 0.984 241 M CB 0.711 33.102 32.600 -0.349 0.000 1.560 241 M HN 0.492 nan 8.290 nan 0.000 0.435 242 R N 5.983 126.237 120.500 -0.409 0.000 2.265 242 R HA 0.615 4.947 4.340 -0.014 0.000 0.328 242 R C -1.940 174.087 176.300 -0.455 0.000 0.969 242 R CA -0.426 55.392 56.100 -0.470 0.000 0.832 242 R CB 0.836 30.692 30.300 -0.741 0.000 1.139 242 R HN 0.812 nan 8.270 nan 0.000 0.457 243 L N 5.114 126.172 121.223 -0.275 0.000 2.313 243 L HA 0.493 4.825 4.340 -0.014 0.000 0.283 243 L C -0.792 176.035 176.870 -0.070 0.000 1.013 243 L CA -0.918 53.852 54.840 -0.118 0.000 0.816 243 L CB 1.450 43.527 42.059 0.030 0.000 1.236 243 L HN 0.581 nan 8.230 nan 0.000 0.419 244 W N 1.926 123.353 121.300 0.212 0.000 2.315 244 W HA 0.458 5.110 4.660 -0.013 0.000 0.316 244 W C 0.598 177.344 176.519 0.379 0.000 1.211 244 W CA -0.126 57.363 57.345 0.240 0.000 1.201 244 W CB 1.383 30.842 29.460 -0.002 0.000 1.184 244 W HN 0.349 nan 8.180 nan 0.000 0.544 245 S N 1.866 117.973 115.700 0.677 0.000 2.482 245 S HA 0.765 5.227 4.470 -0.014 0.000 0.303 245 S C -0.458 174.484 174.600 0.571 0.000 1.091 245 S CA -0.730 57.775 58.200 0.509 0.000 1.057 245 S CB 0.642 64.080 63.200 0.397 0.000 1.031 245 S HN 0.523 nan 8.310 nan 0.000 0.485 246 A N 4.823 127.824 122.820 0.302 0.000 2.366 246 A HA 0.635 4.947 4.320 -0.014 0.000 0.272 246 A C -0.107 177.546 177.584 0.114 0.000 1.135 246 A CA -0.269 51.843 52.037 0.124 0.000 0.804 246 A CB 0.354 19.145 19.000 -0.347 0.000 1.064 246 A HN 0.667 nan 8.150 nan 0.000 0.499 247 K N 1.236 121.718 120.400 0.136 0.000 2.427 247 K HA 0.592 4.904 4.320 -0.014 0.000 0.252 247 K C -0.475 176.127 176.600 0.004 0.000 0.931 247 K CA -0.436 55.890 56.287 0.066 0.000 0.793 247 K CB 2.250 34.816 32.500 0.110 0.000 1.211 247 K HN 0.841 nan 8.250 nan 0.000 0.426 248 A N 4.387 127.144 122.820 -0.105 0.000 2.388 248 A HA 0.430 4.742 4.320 -0.014 0.000 0.257 248 A C -2.112 175.457 177.584 -0.024 0.000 1.095 248 A CA -1.002 50.913 52.037 -0.202 0.000 0.791 248 A CB -0.288 18.369 19.000 -0.571 0.000 1.029 248 A HN 0.350 nan 8.150 nan 0.000 0.489 249 P HA 0.114 nan 4.420 nan 0.000 0.272 249 P C 0.022 177.409 177.300 0.145 0.000 1.230 249 P CA -0.375 62.797 63.100 0.121 0.000 0.788 249 P CB 0.596 32.386 31.700 0.150 0.000 0.949 250 N N 0.775 119.540 118.700 0.108 0.000 2.396 250 N HA -0.103 4.629 4.740 -0.014 0.000 0.180 250 N C 0.784 176.369 175.510 0.124 0.000 1.028 250 N CA 0.949 54.061 53.050 0.104 0.000 0.893 250 N CB -0.414 38.118 38.487 0.074 0.000 0.967 250 N HN 0.545 nan 8.380 nan 0.000 0.440 251 D N -0.772 119.702 120.400 0.124 0.000 2.325 251 D HA -0.080 4.552 4.640 -0.014 0.000 0.225 251 D C 0.070 176.439 176.300 0.116 0.000 1.096 251 D CA -0.554 53.508 54.000 0.103 0.000 0.844 251 D CB -1.045 39.795 40.800 0.068 0.000 0.925 251 D HN 0.066 nan 8.370 nan 0.000 0.513 252 F N 2.314 122.278 119.950 0.024 0.000 2.590 252 F HA 0.043 4.562 4.527 -0.013 0.000 0.389 252 F C 0.574 176.379 175.800 0.009 0.000 1.049 252 F CA 0.186 58.196 58.000 0.018 0.000 1.199 252 F CB 0.070 39.080 39.000 0.016 0.000 1.058 252 F HN -0.174 nan 8.300 nan 0.000 0.556 253 N N 3.048 121.413 118.700 -0.558 0.000 2.713 253 N HA -0.272 4.460 4.740 -0.014 0.000 0.251 253 N C -0.850 174.592 175.510 -0.113 0.000 1.117 253 N CA 1.444 54.277 53.050 -0.361 0.000 0.770 253 N CB -1.405 36.885 38.487 -0.329 0.000 1.137 253 N HN 0.566 nan 8.380 nan 0.000 0.566 262 Y N 1.648 121.956 120.300 0.014 0.000 2.097 262 Y HA -0.040 4.502 4.550 -0.013 0.000 0.282 262 Y C 2.738 178.655 175.900 0.028 0.000 1.152 262 Y CA 2.339 60.451 58.100 0.020 0.000 1.136 262 Y CB -0.149 38.322 38.460 0.017 0.000 0.975 262 Y HN 0.200 nan 8.280 nan 0.000 0.498 263 I N 0.472 120.984 120.570 -0.097 0.000 2.163 263 I HA -0.313 3.849 4.170 -0.014 0.000 0.243 263 I C 2.384 178.411 176.117 -0.149 0.000 1.085 263 I CA 1.512 62.706 61.300 -0.178 0.000 1.347 263 I CB -1.391 36.608 38.000 -0.002 0.000 1.044 263 I HN 0.382 nan 8.210 nan 0.000 0.408 264 Q N 0.544 120.305 119.800 -0.064 0.000 2.096 264 Q HA -0.170 4.162 4.340 -0.014 0.000 0.204 264 Q C 2.384 178.364 176.000 -0.034 0.000 0.982 264 Q CA 1.997 57.779 55.803 -0.034 0.000 0.850 264 Q CB -0.428 28.306 28.738 -0.007 0.000 0.901 264 Q HN 0.564 nan 8.270 nan 0.000 0.422 265 A N 0.006 122.792 122.820 -0.058 0.000 1.902 265 A HA -0.137 4.175 4.320 -0.014 0.000 0.217 265 A C 2.423 180.012 177.584 0.008 0.000 1.181 265 A CA 1.654 53.680 52.037 -0.019 0.000 0.623 265 A CB -0.635 18.346 19.000 -0.031 0.000 0.818 265 A HN 0.228 nan 8.150 nan 0.000 0.443 266 V N 0.146 119.972 119.914 -0.146 0.000 2.358 266 V HA -0.231 3.881 4.120 -0.014 0.000 0.246 266 V C 2.510 178.572 176.094 -0.052 0.000 1.047 266 V CA 1.859 64.082 62.300 -0.129 0.000 1.035 266 V CB -0.750 30.899 31.823 -0.290 0.000 0.658 266 V HN 0.571 nan 8.190 nan 0.000 0.452 267 L N -0.237 120.954 121.223 -0.052 0.000 2.201 267 L HA -0.139 4.193 4.340 -0.014 0.000 0.212 267 L C 2.019 178.898 176.870 0.015 0.000 1.105 267 L CA 1.163 55.990 54.840 -0.021 0.000 0.775 267 L CB -0.659 41.388 42.059 -0.020 0.000 0.913 267 L HN 0.320 nan 8.230 nan 0.000 0.440 268 D N 0.058 120.501 120.400 0.072 0.000 2.371 268 D HA -0.081 4.551 4.640 -0.014 0.000 0.221 268 D C 2.153 178.557 176.300 0.173 0.000 0.986 268 D CA 0.490 54.588 54.000 0.164 0.000 0.899 268 D CB 0.006 40.948 40.800 0.236 0.000 0.902 268 D HN 0.202 nan 8.370 nan 0.000 0.530 269 R N 0.220 120.713 120.500 -0.012 0.000 2.159 269 R HA -0.065 4.266 4.340 -0.014 0.000 0.237 269 R C 1.710 177.811 176.300 -0.331 0.000 1.131 269 R CA 0.909 56.750 56.100 -0.431 0.000 0.982 269 R CB -0.266 29.873 30.300 -0.268 0.000 0.868 269 R HN 0.354 nan 8.270 nan 0.000 0.453 270 N N 0.260 118.880 118.700 -0.133 0.000 2.149 270 N HA -0.189 4.543 4.740 -0.014 0.000 0.188 270 N C 1.225 176.690 175.510 -0.075 0.000 1.019 270 N CA 0.788 53.790 53.050 -0.080 0.000 0.857 270 N CB -0.092 38.380 38.487 -0.026 0.000 0.997 270 N HN 0.017 nan 8.380 nan 0.000 0.426 271 L N 1.122 122.315 121.223 -0.051 0.000 2.012 271 L HA -0.142 4.190 4.340 -0.014 0.000 0.210 271 L C 2.481 179.320 176.870 -0.051 0.000 1.073 271 L CA 1.475 56.312 54.840 -0.005 0.000 0.748 271 L CB -1.154 40.959 42.059 0.090 0.000 0.891 271 L HN 0.155 nan 8.230 nan 0.000 0.431 272 A N -0.814 121.917 122.820 -0.148 0.000 1.898 272 A HA -0.176 4.136 4.320 -0.014 0.000 0.216 272 A C 2.166 179.655 177.584 -0.158 0.000 1.181 272 A CA 1.455 53.396 52.037 -0.160 0.000 0.620 272 A CB -0.459 18.359 19.000 -0.303 0.000 0.819 272 A HN 0.530 nan 8.150 nan 0.000 0.442 273 E N 0.015 120.120 120.200 -0.158 0.000 2.427 273 E HA -0.076 4.266 4.350 -0.014 0.000 0.196 273 E C 1.042 177.605 176.600 -0.062 0.000 1.028 273 E CA 0.249 56.587 56.400 -0.103 0.000 0.864 273 E CB -0.143 29.509 29.700 -0.081 0.000 0.813 273 E HN 0.466 nan 8.360 nan 0.000 0.514 274 N N 1.082 119.752 118.700 -0.049 0.000 2.443 274 N HA -0.108 4.624 4.740 -0.014 0.000 0.184 274 N C 1.616 177.124 175.510 -0.003 0.000 1.037 274 N CA 0.651 53.700 53.050 -0.001 0.000 0.896 274 N CB -0.065 38.426 38.487 0.007 0.000 0.959 274 N HN 0.263 nan 8.380 nan 0.000 0.442 275 I N 0.449 120.960 120.570 -0.099 0.000 2.194 275 I HA -0.261 3.901 4.170 -0.014 0.000 0.246 275 I C 1.485 177.566 176.117 -0.059 0.000 1.093 275 I CA 1.318 62.525 61.300 -0.155 0.000 1.355 275 I CB -0.203 37.534 38.000 -0.438 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.508 115.154 115.700 -0.063 0.000 2.583 276 S HA 0.178 4.640 4.470 -0.014 0.000 0.239 276 S C 1.480 176.210 174.600 0.217 0.000 0.966 276 S CA -0.512 57.738 58.200 0.083 0.000 0.973 276 S CB 0.228 63.467 63.200 0.065 0.000 0.794 276 S HN 0.212 nan 8.310 nan 0.000 0.463 277 R N 1.258 121.892 120.500 0.222 0.000 2.073 277 R HA 0.287 4.619 4.340 -0.014 0.000 0.229 277 R C 0.363 176.916 176.300 0.421 0.000 1.120 277 R CA 1.090 57.361 56.100 0.286 0.000 0.967 277 R CB -0.208 30.226 30.300 0.223 0.000 0.862 277 R HN 0.393 nan 8.270 nan 0.000 0.436 278 V N 0.382 120.511 119.914 0.358 0.000 2.851 278 V HA 0.348 4.460 4.120 -0.014 0.000 0.307 278 V C -1.627 174.453 176.094 -0.023 0.000 1.129 278 V CA -1.376 61.059 62.300 0.224 0.000 0.932 278 V CB 1.771 33.651 31.823 0.095 0.000 1.024 278 V HN 0.144 nan 8.190 nan 0.000 0.426 279 L N 6.965 127.941 121.223 -0.412 0.000 2.410 279 L HA 0.453 4.785 4.340 -0.014 0.000 0.273 279 L C -0.773 175.947 176.870 -0.250 0.000 1.144 279 L CA 0.475 54.868 54.840 -0.744 0.000 0.863 279 L CB 0.354 41.901 42.059 -0.853 0.000 1.140 279 L HN 0.679 nan 8.230 nan 0.000 0.463 280 Y N 7.146 127.363 120.300 -0.139 0.000 2.650 280 Y HA 0.160 4.702 4.550 -0.014 0.000 0.331 280 Y C -1.305 174.592 175.900 -0.006 0.000 1.165 280 Y CA -1.067 57.023 58.100 -0.017 0.000 1.473 280 Y CB 0.293 38.771 38.460 0.029 0.000 1.224 280 Y HN 0.581 nan 8.280 nan 0.000 0.533 281 P HA 0.006 nan 4.420 nan 0.000 0.256 281 P C -0.815 176.621 177.300 0.227 0.000 1.384 281 P CA 0.143 63.354 63.100 0.185 0.000 0.879 281 P CB 0.186 32.083 31.700 0.329 0.000 1.403 282 N N 1.469 120.315 118.700 0.242 0.000 2.488 282 N HA 0.135 4.867 4.740 -0.014 0.000 0.274 282 N C -0.598 175.060 175.510 0.247 0.000 1.111 282 N CA 0.338 53.551 53.050 0.271 0.000 0.974 282 N CB 1.019 39.699 38.487 0.321 0.000 1.089 282 N HN 0.097 nan 8.380 nan 0.000 0.465 283 D N 0.850 121.423 120.400 0.288 0.000 2.492 283 D HA 0.215 4.847 4.640 -0.014 0.000 0.248 283 D C -0.296 176.219 176.300 0.360 0.000 1.101 283 D CA -0.411 53.755 54.000 0.277 0.000 0.840 283 D CB 0.396 41.348 40.800 0.253 0.000 1.209 283 D HN 0.310 nan 8.370 nan 0.000 0.524 284 N N 2.700 121.580 118.700 0.300 0.000 2.735 284 N HA -0.242 4.490 4.740 -0.014 0.000 0.248 284 N C -1.382 174.372 175.510 0.407 0.000 1.083 284 N CA 0.774 53.994 53.050 0.283 0.000 0.703 284 N CB -0.881 37.733 38.487 0.212 0.000 1.005 284 N HN 0.419 nan 8.380 nan 0.000 0.550 285 F N 0.551 120.611 119.950 0.182 0.000 2.623 285 F HA 0.378 4.897 4.527 -0.014 0.000 0.323 285 F C -1.210 174.674 175.800 0.139 0.000 1.158 285 F CA -1.049 57.033 58.000 0.137 0.000 1.030 285 F CB 0.789 39.827 39.000 0.064 0.000 1.280 285 F HN -0.025 nan 8.300 nan 0.000 0.474 286 F N 6.170 125.738 119.950 -0.638 0.000 2.411 286 F HA 0.441 4.960 4.527 -0.014 0.000 0.350 286 F C -0.303 175.110 175.800 -0.645 0.000 1.114 286 F CA -0.072 57.612 58.000 -0.526 0.000 1.135 286 F CB 0.647 39.364 39.000 -0.471 0.000 1.120 286 F HN 0.570 nan 8.300 nan 0.000 0.495 287 E N 4.258 123.886 120.200 -0.954 0.000 2.145 287 E HA 0.290 4.632 4.350 -0.014 0.000 0.262 287 E C -0.111 175.756 176.600 -1.222 0.000 0.883 287 E CA -0.734 55.177 56.400 -0.815 0.000 0.748 287 E CB 1.366 30.948 29.700 -0.197 0.000 1.140 287 E HN 0.925 nan 8.360 nan 0.000 0.417 288 G N 5.225 113.258 108.800 -1.278 0.000 3.316 288 G HA2 0.034 3.986 3.960 -0.014 0.000 0.255 288 G HA3 0.034 3.986 3.960 -0.014 0.000 0.255 288 G C -0.020 174.793 174.900 -0.145 0.000 0.880 288 G CA -0.211 44.307 45.100 -0.969 0.000 1.956 288 G HN 0.196 nan 8.290 nan 0.000 0.634 289 K N 0.450 120.829 120.400 -0.035 0.000 2.130 289 K HA 0.186 4.498 4.320 -0.014 0.000 0.268 289 K C 0.955 177.694 176.600 0.232 0.000 0.983 289 K CA -0.637 55.723 56.287 0.121 0.000 0.893 289 K CB 2.272 34.840 32.500 0.113 0.000 1.066 289 K HN 0.427 nan 8.250 nan 0.000 0.450 290 E N 1.737 122.042 120.200 0.175 0.000 2.085 290 E HA -0.217 4.125 4.350 -0.014 0.000 0.194 290 E C 1.508 178.140 176.600 0.053 0.000 0.994 290 E CA 1.070 57.527 56.400 0.095 0.000 0.801 290 E CB 0.158 29.914 29.700 0.093 0.000 0.743 290 E HN 0.398 nan 8.360 nan 0.000 0.453 291 L N 1.291 122.589 121.223 0.125 0.000 2.083 291 L HA -0.167 4.165 4.340 -0.014 0.000 0.209 291 L C 2.463 179.430 176.870 0.162 0.000 1.083 291 L CA 1.750 56.683 54.840 0.155 0.000 0.752 291 L CB -0.521 41.698 42.059 0.266 0.000 0.899 291 L HN 0.019 nan 8.230 nan 0.000 0.433 292 R N -0.588 119.940 120.500 0.047 0.000 2.081 292 R HA -0.173 4.158 4.340 -0.014 0.000 0.235 292 R C 2.110 178.447 176.300 0.061 0.000 1.131 292 R CA 1.907 57.951 56.100 -0.094 0.000 0.960 292 R CB -1.051 28.967 30.300 -0.470 0.000 0.856 292 R HN 0.402 nan 8.270 nan 0.000 0.436 293 L N 0.940 122.120 121.223 -0.071 0.000 2.046 293 L HA -0.087 4.245 4.340 -0.014 0.000 0.208 293 L C 1.713 178.523 176.870 -0.099 0.000 1.077 293 L CA 1.923 56.520 54.840 -0.406 0.000 0.747 293 L CB -0.473 41.034 42.059 -0.921 0.000 0.896 293 L HN 0.168 nan 8.230 nan 0.000 0.432 294 K N -0.970 119.418 120.400 -0.021 0.000 2.063 294 K HA -0.208 4.104 4.320 -0.014 0.000 0.208 294 K C 2.085 178.851 176.600 0.277 0.000 1.048 294 K CA 1.819 58.166 56.287 0.100 0.000 0.928 294 K CB -0.196 32.184 32.500 -0.201 0.000 0.713 294 K HN 0.520 nan 8.250 nan 0.000 0.442 295 Q N 0.646 120.573 119.800 0.212 0.000 2.050 295 Q HA -0.194 4.138 4.340 -0.014 0.000 0.202 295 Q C 1.977 178.179 176.000 0.337 0.000 0.980 295 Q CA 1.489 57.474 55.803 0.302 0.000 0.840 295 Q CB -0.036 28.900 28.738 0.329 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.424 296 E N -0.227 120.124 120.200 0.251 0.000 2.077 296 E HA -0.214 4.128 4.350 -0.014 0.000 0.193 296 E C 1.740 178.459 176.600 0.198 0.000 0.989 296 E CA 1.058 57.589 56.400 0.219 0.000 0.800 296 E CB -0.138 29.668 29.700 0.175 0.000 0.746 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.382 120.732 120.300 0.083 0.000 2.220 297 Y HA -0.198 4.343 4.550 -0.013 0.000 0.291 297 Y C 1.968 177.901 175.900 0.056 0.000 1.129 297 Y CA 1.003 59.107 58.100 0.007 0.000 1.161 297 Y CB -0.390 38.041 38.460 -0.049 0.000 0.997 297 Y HN 0.011 nan 8.280 nan 0.000 0.522 298 F N -0.245 119.698 119.950 -0.013 0.000 2.091 298 F HA -0.262 4.256 4.527 -0.014 0.000 0.299 298 F C 2.505 178.160 175.800 -0.242 0.000 1.103 298 F CA 2.051 59.992 58.000 -0.098 0.000 1.228 298 F CB -1.071 38.032 39.000 0.172 0.000 0.984 298 F HN -0.042 nan 8.300 nan 0.000 0.477 299 V N -0.466 119.414 119.914 -0.057 0.000 2.343 299 V HA -0.213 3.899 4.120 -0.014 0.000 0.247 299 V C 2.194 178.146 176.094 -0.238 0.000 1.051 299 V CA 2.050 64.294 62.300 -0.093 0.000 1.036 299 V CB -0.448 31.510 31.823 0.224 0.000 0.654 299 V HN 0.255 nan 8.190 nan 0.000 0.451 300 V N 0.474 120.255 119.914 -0.222 0.000 2.307 300 V HA -0.175 3.937 4.120 -0.014 0.000 0.245 300 V C 2.830 178.668 176.094 -0.426 0.000 1.045 300 V CA 2.170 64.323 62.300 -0.244 0.000 1.024 300 V CB -1.109 30.636 31.823 -0.131 0.000 0.651 300 V HN 0.656 nan 8.190 nan 0.000 0.449 301 A N -0.189 122.199 122.820 -0.719 0.000 1.873 301 A HA -0.083 4.229 4.320 -0.014 0.000 0.215 301 A C 2.400 179.608 177.584 -0.627 0.000 1.186 301 A CA 2.060 53.663 52.037 -0.722 0.000 0.616 301 A CB -0.801 17.541 19.000 -1.097 0.000 0.823 301 A HN 0.557 nan 8.150 nan 0.000 0.442 302 A N -1.018 121.269 122.820 -0.890 0.000 1.898 302 A HA -0.058 4.254 4.320 -0.014 0.000 0.216 302 A C 2.312 179.386 177.584 -0.850 0.000 1.181 302 A CA 2.261 53.581 52.037 -1.195 0.000 0.620 302 A CB -1.290 16.343 19.000 -2.278 0.000 0.819 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.490 114.688 114.554 -0.593 0.000 2.684 303 T HA -0.114 4.228 4.350 -0.014 0.000 0.267 303 T C 1.830 176.263 174.700 -0.446 0.000 1.036 303 T CA 1.509 63.378 62.100 -0.385 0.000 1.148 303 T CB -0.395 68.261 68.868 -0.353 0.000 0.863 303 T HN 0.335 nan 8.240 nan 0.000 0.436 304 L N 0.650 121.659 121.223 -0.356 0.000 2.083 304 L HA -0.153 4.179 4.340 -0.014 0.000 0.209 304 L C 2.936 179.690 176.870 -0.194 0.000 1.083 304 L CA 1.355 56.038 54.840 -0.261 0.000 0.752 304 L CB -0.491 41.456 42.059 -0.187 0.000 0.899 304 L HN 0.353 nan 8.230 nan 0.000 0.433 305 Q N -0.569 119.113 119.800 -0.197 0.000 2.084 305 Q HA -0.258 4.074 4.340 -0.014 0.000 0.202 305 Q C 1.776 177.736 176.000 -0.066 0.000 0.978 305 Q CA 1.795 57.529 55.803 -0.114 0.000 0.844 305 Q CB -0.116 28.542 28.738 -0.134 0.000 0.898 305 Q HN 0.406 nan 8.270 nan 0.000 0.426 306 D N 0.482 120.832 120.400 -0.083 0.000 2.117 306 D HA -0.107 4.525 4.640 -0.014 0.000 0.197 306 D C 1.683 177.919 176.300 -0.106 0.000 0.987 306 D CA 0.868 54.863 54.000 -0.008 0.000 0.829 306 D CB -0.048 40.849 40.800 0.162 0.000 0.961 306 D HN 0.161 nan 8.370 nan 0.000 0.460 307 I N 0.117 120.515 120.570 -0.286 0.000 2.163 307 I HA -0.261 3.901 4.170 -0.014 0.000 0.243 307 I C 2.278 178.402 176.117 0.013 0.000 1.085 307 I CA 0.843 61.925 61.300 -0.364 0.000 1.347 307 I CB -0.167 37.483 38.000 -0.583 0.000 1.044 307 I HN 0.049 nan 8.210 nan 0.000 0.408 308 I N 0.057 120.688 120.570 0.102 0.000 2.252 308 I HA -0.264 3.898 4.170 -0.014 0.000 0.245 308 I C 2.767 179.035 176.117 0.252 0.000 1.102 308 I CA 1.029 62.503 61.300 0.289 0.000 1.385 308 I CB -0.410 37.715 38.000 0.208 0.000 1.064 308 I HN 0.164 nan 8.210 nan 0.000 0.414 309 R N 1.185 121.761 120.500 0.127 0.000 2.094 309 R HA -0.242 4.090 4.340 -0.014 0.000 0.239 309 R C 2.512 178.867 176.300 0.091 0.000 1.137 309 R CA 1.920 58.075 56.100 0.091 0.000 0.943 309 R CB -0.281 30.048 30.300 0.048 0.000 0.850 309 R HN 0.207 nan 8.270 nan 0.000 0.433 310 R N -0.666 119.886 120.500 0.086 0.000 2.096 310 R HA -0.168 4.164 4.340 -0.014 0.000 0.235 310 R C 2.188 178.571 176.300 0.139 0.000 1.127 310 R CA 1.679 57.836 56.100 0.094 0.000 0.968 310 R CB -0.350 29.996 30.300 0.078 0.000 0.861 310 R HN 0.287 nan 8.270 nan 0.000 0.440 311 F N 1.369 121.346 119.950 0.045 0.000 2.146 311 F HA -0.100 4.419 4.527 -0.014 0.000 0.298 311 F C 1.668 177.466 175.800 -0.003 0.000 1.096 311 F CA 1.514 59.533 58.000 0.033 0.000 1.275 311 F CB 0.050 39.123 39.000 0.123 0.000 1.008 311 F HN -0.141 nan 8.300 nan 0.000 0.480 312 K N -0.364 119.993 120.400 -0.072 0.000 2.217 312 K HA -0.011 4.301 4.320 -0.014 0.000 0.202 312 K C 1.365 177.867 176.600 -0.163 0.000 1.051 312 K CA 1.159 57.329 56.287 -0.194 0.000 0.952 312 K CB -0.190 32.304 32.500 -0.010 0.000 0.736 312 K HN 0.099 nan 8.250 nan 0.000 0.453 313 S N 1.242 116.901 115.700 -0.068 0.000 2.677 313 S HA 0.122 4.583 4.470 -0.014 0.000 0.246 313 S C 0.090 174.680 174.600 -0.016 0.000 1.005 313 S CA -0.323 57.876 58.200 -0.001 0.000 1.062 313 S CB 0.206 63.453 63.200 0.077 0.000 0.778 313 S HN 0.114 nan 8.310 nan 0.000 0.461 325 N N 0.662 119.331 118.700 -0.052 0.000 2.485 325 N HA 0.338 5.070 4.740 -0.014 0.000 0.243 325 N C -0.693 174.870 175.510 0.088 0.000 0.987 325 N CA -0.147 52.938 53.050 0.058 0.000 0.940 325 N CB 0.513 39.032 38.487 0.053 0.000 1.122 325 N HN 0.129 nan 8.380 nan 0.000 0.509 326 F N 1.890 121.942 119.950 0.170 0.000 2.811 326 F HA 0.104 4.623 4.527 -0.014 0.000 0.301 326 F C 1.327 177.189 175.800 0.103 0.000 1.151 326 F CA -0.057 58.020 58.000 0.127 0.000 1.412 326 F CB 0.379 39.337 39.000 -0.070 0.000 1.113 326 F HN 0.483 nan 8.300 nan 0.000 0.579 327 D N 0.491 121.026 120.400 0.226 0.000 2.178 327 D HA -0.174 4.458 4.640 -0.014 0.000 0.201 327 D C 2.197 178.587 176.300 0.149 0.000 0.980 327 D CA 1.280 55.372 54.000 0.153 0.000 0.842 327 D CB -0.117 40.748 40.800 0.109 0.000 0.948 327 D HN 0.238 nan 8.370 nan 0.000 0.472 328 A N -0.695 122.241 122.820 0.194 0.000 2.251 328 A HA 0.081 4.393 4.320 -0.014 0.000 0.209 328 A C 1.611 179.309 177.584 0.189 0.000 1.187 328 A CA -0.198 51.954 52.037 0.192 0.000 0.823 328 A CB -0.793 18.333 19.000 0.210 0.000 0.846 328 A HN 0.220 nan 8.150 nan 0.000 0.486 329 F N 1.853 121.752 119.950 -0.086 0.000 2.065 329 F HA -0.152 4.367 4.527 -0.013 0.000 0.298 329 F C -0.736 174.944 175.800 -0.200 0.000 1.112 329 F CA 2.596 60.330 58.000 -0.445 0.000 1.212 329 F CB -0.529 38.225 39.000 -0.411 0.000 0.975 329 F HN 0.206 nan 8.300 nan 0.000 0.476 330 P HA -0.088 nan 4.420 nan 0.000 0.226 330 P C 0.701 177.952 177.300 -0.082 0.000 1.153 330 P CA 1.376 64.436 63.100 -0.067 0.000 0.777 330 P CB -0.068 31.622 31.700 -0.018 0.000 0.794 331 D N -0.713 119.661 120.400 -0.042 0.000 2.317 331 D HA -0.036 4.596 4.640 -0.014 0.000 0.211 331 D C 1.511 177.793 176.300 -0.030 0.000 0.966 331 D CA 0.932 54.921 54.000 -0.018 0.000 0.876 331 D CB 0.110 40.922 40.800 0.020 0.000 0.927 331 D HN 0.163 nan 8.370 nan 0.000 0.519 332 K N -0.048 120.311 120.400 -0.069 0.000 2.412 332 K HA 0.207 4.519 4.320 -0.014 0.000 0.202 332 K C -0.115 176.396 176.600 -0.147 0.000 1.102 332 K CA 0.089 56.348 56.287 -0.046 0.000 1.027 332 K CB 2.451 35.032 32.500 0.134 0.000 0.931 332 K HN -0.071 nan 8.250 nan 0.000 0.557 333 V N 1.123 120.857 119.914 -0.299 0.000 2.686 333 V HA 0.587 4.699 4.120 -0.014 0.000 0.306 333 V C -1.063 174.930 176.094 -0.169 0.000 1.065 333 V CA -1.229 60.891 62.300 -0.299 0.000 0.894 333 V CB 1.801 33.156 31.823 -0.779 0.000 1.004 333 V HN 0.121 nan 8.190 nan 0.000 0.424 334 A N 5.757 128.532 122.820 -0.076 0.000 2.343 334 A HA 0.929 5.241 4.320 -0.014 0.000 0.316 334 A C -0.934 176.675 177.584 0.042 0.000 1.104 334 A CA -0.494 51.534 52.037 -0.014 0.000 0.768 334 A CB 0.964 19.914 19.000 -0.084 0.000 1.213 334 A HN 0.773 nan 8.150 nan 0.000 0.456 335 I N 1.836 122.477 120.570 0.119 0.000 2.382 335 I HA 0.298 4.459 4.170 -0.014 0.000 0.286 335 I C -0.320 175.896 176.117 0.166 0.000 1.002 335 I CA -0.536 60.848 61.300 0.140 0.000 1.135 335 I CB 1.916 39.980 38.000 0.107 0.000 1.288 335 I HN 0.685 nan 8.210 nan 0.000 0.448 336 Q N 6.821 126.718 119.800 0.161 0.000 2.314 336 Q HA 0.504 4.836 4.340 -0.014 0.000 0.259 336 Q C -1.311 174.690 176.000 0.002 0.000 0.951 336 Q CA -0.265 55.657 55.803 0.199 0.000 0.909 336 Q CB 1.282 30.253 28.738 0.388 0.000 1.236 336 Q HN 0.570 nan 8.270 nan 0.000 0.444 337 L N 3.730 124.992 121.223 0.066 0.000 2.261 337 L HA 0.392 4.724 4.340 -0.014 0.000 0.289 337 L C 0.101 176.995 176.870 0.040 0.000 1.059 337 L CA -0.743 54.125 54.840 0.046 0.000 0.816 337 L CB 0.607 42.742 42.059 0.126 0.000 1.191 337 L HN 0.556 nan 8.230 nan 0.000 0.431 338 N N 4.474 123.118 118.700 -0.093 0.000 2.466 338 N HA 0.041 4.773 4.740 -0.014 0.000 0.263 338 N C -0.093 175.437 175.510 0.034 0.000 1.178 338 N CA 0.555 53.607 53.050 0.003 0.000 0.983 338 N CB -0.136 38.272 38.487 -0.132 0.000 1.331 338 N HN 0.632 nan 8.380 nan 0.000 0.500 339 D N -0.108 120.411 120.400 0.199 0.000 4.160 339 D HA -0.227 4.405 4.640 -0.014 0.000 0.291 339 D C 0.326 176.723 176.300 0.162 0.000 2.226 339 D CA 1.581 55.676 54.000 0.158 0.000 1.157 339 D CB -0.521 40.104 40.800 -0.293 0.000 1.020 339 D HN 0.510 nan 8.370 nan 0.000 1.219 340 T N -2.479 112.115 114.554 0.068 0.000 3.129 340 T HA 0.092 4.434 4.350 -0.014 0.000 0.251 340 T C 1.626 176.404 174.700 0.130 0.000 1.117 340 T CA 1.473 63.591 62.100 0.030 0.000 1.034 340 T CB -0.508 68.344 68.868 -0.027 0.000 0.968 340 T HN 0.502 nan 8.240 nan 0.000 0.526 341 H N 2.676 121.838 119.070 0.153 0.000 2.353 341 H HA -0.015 4.533 4.556 -0.014 0.000 0.298 341 H C -0.879 174.540 175.328 0.152 0.000 1.103 341 H CA 1.047 57.200 56.048 0.175 0.000 1.293 341 H CB -1.005 28.864 29.762 0.178 0.000 1.372 341 H HN 0.436 nan 8.280 nan 0.000 0.501 342 P HA 0.076 nan 4.420 nan 0.000 0.254 342 P C 0.677 178.023 177.300 0.077 0.000 1.620 342 P CA 0.337 63.520 63.100 0.138 0.000 1.050 342 P CB 0.263 32.033 31.700 0.116 0.000 1.539 343 S N -0.336 115.402 115.700 0.063 0.000 2.442 343 S HA -0.117 4.345 4.470 -0.014 0.000 0.236 343 S C 1.721 176.323 174.600 0.003 0.000 1.007 343 S CA 0.754 58.950 58.200 -0.005 0.000 0.965 343 S CB -1.436 61.736 63.200 -0.048 0.000 0.773 343 S HN 0.156 nan 8.310 nan 0.000 0.504 344 L N 1.047 122.286 121.223 0.026 0.000 2.549 344 L HA 0.045 4.377 4.340 -0.014 0.000 0.229 344 L C 2.908 179.813 176.870 0.057 0.000 1.158 344 L CA 0.584 55.441 54.840 0.027 0.000 0.842 344 L CB -0.751 41.318 42.059 0.018 0.000 0.952 344 L HN 0.461 nan 8.230 nan 0.000 0.452 345 A N 0.614 123.452 122.820 0.030 0.000 1.978 345 A HA -0.211 4.101 4.320 -0.014 0.000 0.220 345 A C 2.180 179.768 177.584 0.007 0.000 1.170 345 A CA 1.611 53.653 52.037 0.009 0.000 0.636 345 A CB -0.478 18.520 19.000 -0.003 0.000 0.810 345 A HN 0.383 nan 8.150 nan 0.000 0.448 346 I N 0.186 120.761 120.570 0.008 0.000 2.133 346 I HA -0.132 4.030 4.170 -0.014 0.000 0.238 346 I C -0.378 175.762 176.117 0.039 0.000 1.074 346 I CA 1.480 62.784 61.300 0.007 0.000 1.342 346 I CB -0.970 37.034 38.000 0.007 0.000 1.053 346 I HN 0.237 nan 8.210 nan 0.000 0.404 347 P HA -0.157 nan 4.420 nan 0.000 0.223 347 P C 1.257 178.591 177.300 0.056 0.000 1.151 347 P CA 1.416 64.556 63.100 0.067 0.000 0.787 347 P CB 0.047 31.805 31.700 0.097 0.000 0.788 348 E N 0.274 120.572 120.200 0.163 0.000 2.072 348 E HA -0.148 4.193 4.350 -0.014 0.000 0.191 348 E C 1.902 178.496 176.600 -0.010 0.000 0.985 348 E CA 0.669 57.178 56.400 0.182 0.000 0.801 348 E CB -1.212 28.644 29.700 0.260 0.000 0.750 348 E HN -0.011 nan 8.360 nan 0.000 0.452 349 L N 0.018 121.205 121.223 -0.060 0.000 2.046 349 L HA -0.120 4.212 4.340 -0.014 0.000 0.208 349 L C 2.084 178.820 176.870 -0.223 0.000 1.077 349 L CA 1.796 56.542 54.840 -0.157 0.000 0.747 349 L CB -0.628 41.342 42.059 -0.147 0.000 0.896 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 M N -0.745 118.738 119.600 -0.195 0.000 2.080 350 M HA -0.236 4.236 4.480 -0.014 0.000 0.260 350 M C 2.436 178.574 176.300 -0.270 0.000 1.068 350 M CA 1.650 56.780 55.300 -0.283 0.000 1.109 350 M CB -1.266 31.151 32.600 -0.305 0.000 1.342 350 M HN 0.338 nan 8.290 nan 0.000 0.405 351 R N 0.041 120.408 120.500 -0.222 0.000 2.094 351 R HA -0.150 4.182 4.340 -0.014 0.000 0.239 351 R C 2.080 178.275 176.300 -0.174 0.000 1.137 351 R CA 1.891 57.861 56.100 -0.217 0.000 0.943 351 R CB -0.253 29.863 30.300 -0.306 0.000 0.850 351 R HN 0.223 nan 8.270 nan 0.000 0.433 352 V N 1.417 121.228 119.914 -0.172 0.000 2.295 352 V HA -0.256 3.855 4.120 -0.014 0.000 0.246 352 V C 2.424 178.355 176.094 -0.272 0.000 1.049 352 V CA 1.776 63.967 62.300 -0.182 0.000 1.024 352 V CB -0.419 31.297 31.823 -0.178 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.663 120.339 121.223 -0.370 0.000 2.056 353 L HA -0.126 4.206 4.340 -0.014 0.000 0.207 353 L C 2.393 179.079 176.870 -0.307 0.000 1.078 353 L CA 1.109 55.665 54.840 -0.473 0.000 0.749 353 L CB -0.571 41.166 42.059 -0.537 0.000 0.901 353 L HN 0.206 nan 8.230 nan 0.000 0.433 354 V N -0.595 119.181 119.914 -0.230 0.000 2.331 354 V HA -0.177 3.935 4.120 -0.014 0.000 0.242 354 V C 1.929 177.979 176.094 -0.074 0.000 1.034 354 V CA 1.662 63.889 62.300 -0.123 0.000 1.027 354 V CB -0.312 31.468 31.823 -0.071 0.000 0.667 354 V HN 0.344 nan 8.190 nan 0.000 0.457 355 D N -0.119 120.232 120.400 -0.082 0.000 2.162 355 D HA 0.011 4.643 4.640 -0.014 0.000 0.203 355 D C 1.992 178.262 176.300 -0.050 0.000 0.967 355 D CA 1.125 55.094 54.000 -0.051 0.000 0.840 355 D CB 0.116 40.884 40.800 -0.054 0.000 0.972 355 D HN 0.333 nan 8.370 nan 0.000 0.482 356 L N 0.052 121.229 121.223 -0.076 0.000 2.362 356 L HA 0.147 4.479 4.340 -0.014 0.000 0.204 356 L C 1.780 178.615 176.870 -0.058 0.000 1.060 356 L CA 0.430 55.235 54.840 -0.058 0.000 0.827 356 L CB 0.106 42.132 42.059 -0.056 0.000 1.027 356 L HN -0.201 nan 8.230 nan 0.000 0.474 357 E N 0.478 120.608 120.200 -0.117 0.000 2.447 357 E HA 0.047 4.389 4.350 -0.014 0.000 0.195 357 E C 0.073 176.631 176.600 -0.070 0.000 1.028 357 E CA -0.042 56.294 56.400 -0.106 0.000 0.876 357 E CB 0.385 29.907 29.700 -0.297 0.000 0.885 357 E HN 0.202 nan 8.360 nan 0.000 0.500 358 R N -0.260 120.197 120.500 -0.072 0.000 3.656 358 R HA -0.187 4.145 4.340 -0.014 0.000 0.297 358 R C -0.311 175.973 176.300 -0.027 0.000 1.166 358 R CA 0.251 56.333 56.100 -0.031 0.000 0.799 358 R CB -2.894 27.406 30.300 -0.001 0.000 1.285 358 R HN 0.077 nan 8.270 nan 0.000 0.477 359 L N 2.366 123.545 121.223 -0.074 0.000 2.436 359 L HA 0.145 4.477 4.340 -0.014 0.000 0.265 359 L C 1.479 178.341 176.870 -0.014 0.000 1.168 359 L CA 0.227 55.034 54.840 -0.055 0.000 0.815 359 L CB 0.408 42.388 42.059 -0.132 0.000 1.109 359 L HN 0.143 nan 8.230 nan 0.000 0.462 360 D N 1.042 121.459 120.400 0.028 0.000 2.368 360 D HA -0.147 4.485 4.640 -0.014 0.000 0.240 360 D C 0.936 177.303 176.300 0.113 0.000 1.169 360 D CA -0.491 53.559 54.000 0.085 0.000 0.906 360 D CB 0.699 41.554 40.800 0.092 0.000 1.187 360 D HN 0.614 nan 8.370 nan 0.000 0.435 361 W N 1.811 123.113 121.300 0.004 0.000 2.317 361 W HA -0.227 4.425 4.660 -0.013 0.000 0.318 361 W C 1.123 177.685 176.519 0.073 0.000 1.227 361 W CA 1.913 59.267 57.345 0.015 0.000 1.269 361 W CB -0.269 29.179 29.460 -0.019 0.000 1.155 361 W HN 0.461 nan 8.180 nan 0.000 0.484 362 D N 0.319 120.915 120.400 0.327 0.000 2.123 362 D HA -0.210 4.422 4.640 -0.014 0.000 0.196 362 D C 1.860 178.261 176.300 0.168 0.000 0.992 362 D CA 1.963 56.128 54.000 0.275 0.000 0.833 362 D CB -0.428 40.505 40.800 0.220 0.000 0.954 362 D HN 0.108 nan 8.370 nan 0.000 0.455 363 K N 1.318 121.775 120.400 0.095 0.000 2.025 363 K HA 0.015 4.327 4.320 -0.014 0.000 0.207 363 K C 1.893 178.483 176.600 -0.016 0.000 1.049 363 K CA 1.491 57.806 56.287 0.046 0.000 0.933 363 K CB -0.609 31.913 32.500 0.037 0.000 0.714 363 K HN -0.015 nan 8.250 nan 0.000 0.438 364 A N 0.793 123.560 122.820 -0.087 0.000 1.917 364 A HA -0.209 4.103 4.320 -0.014 0.000 0.219 364 A C 2.278 179.768 177.584 -0.157 0.000 1.182 364 A CA 1.638 53.555 52.037 -0.199 0.000 0.633 364 A CB -1.291 17.522 19.000 -0.311 0.000 0.819 364 A HN 0.710 nan 8.150 nan 0.000 0.448 365 W N 0.538 121.629 121.300 -0.348 0.000 2.358 365 W HA -0.180 4.472 4.660 -0.013 0.000 0.303 365 W C 2.029 178.490 176.519 -0.097 0.000 1.208 365 W CA 1.835 59.027 57.345 -0.256 0.000 1.274 365 W CB -0.145 29.201 29.460 -0.190 0.000 1.138 365 W HN 0.624 nan 8.180 nan 0.000 0.515 366 E N 0.084 120.272 120.200 -0.020 0.000 2.058 366 E HA -0.241 4.101 4.350 -0.014 0.000 0.194 366 E C 2.041 178.564 176.600 -0.128 0.000 0.997 366 E CA 2.098 58.452 56.400 -0.077 0.000 0.801 366 E CB -0.347 29.365 29.700 0.020 0.000 0.746 366 E HN 0.052 nan 8.360 nan 0.000 0.450 367 V N 0.652 120.507 119.914 -0.098 0.000 2.295 367 V HA -0.265 3.847 4.120 -0.014 0.000 0.246 367 V C 2.399 178.432 176.094 -0.102 0.000 1.049 367 V CA 2.205 64.466 62.300 -0.064 0.000 1.024 367 V CB -0.784 30.999 31.823 -0.067 0.000 0.648 367 V HN 0.398 nan 8.190 nan 0.000 0.447 368 T N 0.062 114.486 114.554 -0.217 0.000 2.652 368 T HA -0.187 4.155 4.350 -0.014 0.000 0.267 368 T C 1.945 176.472 174.700 -0.288 0.000 1.039 368 T CA 1.816 63.764 62.100 -0.254 0.000 1.153 368 T CB -0.313 68.356 68.868 -0.332 0.000 0.863 368 T HN 0.274 nan 8.240 nan 0.000 0.428 369 V N 1.414 121.039 119.914 -0.482 0.000 2.295 369 V HA -0.182 3.930 4.120 -0.014 0.000 0.246 369 V C 2.368 178.410 176.094 -0.086 0.000 1.049 369 V CA 1.671 63.740 62.300 -0.385 0.000 1.024 369 V CB -0.504 31.005 31.823 -0.523 0.000 0.648 369 V HN 0.460 nan 8.190 nan 0.000 0.447 370 K N -0.482 119.849 120.400 -0.115 0.000 2.362 370 K HA -0.101 4.211 4.320 -0.014 0.000 0.200 370 K C 2.064 178.610 176.600 -0.090 0.000 1.046 370 K CA 1.554 57.750 56.287 -0.151 0.000 0.952 370 K CB -0.207 32.212 32.500 -0.135 0.000 0.753 370 K HN 0.483 nan 8.250 nan 0.000 0.466 371 T N 0.045 114.616 114.554 0.029 0.000 2.976 371 T HA 0.029 4.370 4.350 -0.014 0.000 0.257 371 T C 0.856 175.660 174.700 0.174 0.000 1.051 371 T CA 0.365 62.520 62.100 0.092 0.000 1.141 371 T CB 0.137 69.096 68.868 0.151 0.000 0.881 371 T HN 0.163 nan 8.240 nan 0.000 0.461 372 C N 2.408 121.801 119.300 0.154 0.000 2.365 372 C HA 0.886 5.338 4.460 -0.014 0.000 0.351 372 C C 0.581 175.643 174.990 0.120 0.000 1.240 372 C CA -1.237 57.856 59.018 0.124 0.000 2.062 372 C CB 0.109 27.861 27.740 0.019 0.000 2.387 372 C HN 0.589 nan 8.230 nan 0.000 0.537 373 A N 2.122 125.004 122.820 0.103 0.000 2.475 373 A HA 0.779 5.091 4.320 -0.014 0.000 0.301 373 A C -1.562 176.096 177.584 0.123 0.000 1.059 373 A CA -0.431 51.609 52.037 0.006 0.000 0.710 373 A CB 1.083 20.083 19.000 0.000 0.000 1.288 373 A HN 0.950 nan 8.150 nan 0.000 0.408 374 Y N 1.015 121.264 120.300 -0.085 0.000 2.391 374 Y HA 0.632 5.174 4.550 -0.013 0.000 0.341 374 Y C -0.570 175.306 175.900 -0.041 0.000 0.965 374 Y CA -0.325 57.735 58.100 -0.067 0.000 1.067 374 Y CB 2.062 40.439 38.460 -0.138 0.000 1.199 374 Y HN 0.571 nan 8.280 nan 0.000 0.450 375 T N 6.573 120.906 114.554 -0.368 0.000 2.758 375 T HA 0.190 4.532 4.350 -0.014 0.000 0.285 375 T C -0.766 173.444 174.700 -0.817 0.000 0.981 375 T CA -0.789 61.018 62.100 -0.489 0.000 0.965 375 T CB 0.450 69.260 68.868 -0.098 0.000 0.927 375 T HN 0.654 nan 8.240 nan 0.000 0.448 376 N N 1.759 119.982 118.700 -0.795 0.000 2.498 376 N HA 0.139 4.871 4.740 -0.014 0.000 0.287 376 N C -0.019 175.355 175.510 -0.226 0.000 1.097 376 N CA -0.330 52.500 53.050 -0.367 0.000 0.973 376 N CB 0.791 39.244 38.487 -0.056 0.000 1.153 376 N HN 0.669 nan 8.380 nan 0.000 0.472 377 H N 0.867 119.971 119.070 0.056 0.000 3.058 377 H HA 0.172 4.720 4.556 -0.014 0.000 0.266 377 H C -0.262 174.983 175.328 -0.139 0.000 1.135 377 H CA -0.020 56.003 56.048 -0.042 0.000 1.174 377 H CB 1.147 30.894 29.762 -0.026 0.000 1.581 377 H HN 0.528 nan 8.280 nan 0.000 0.553 378 T N 0.357 114.943 114.554 0.052 0.000 2.977 378 T HA 0.212 4.554 4.350 -0.014 0.000 0.345 378 T C 0.342 175.069 174.700 0.045 0.000 1.562 378 T CA -0.375 61.709 62.100 -0.027 0.000 1.090 378 T CB 1.294 70.140 68.868 -0.036 0.000 1.383 378 T HN -0.033 nan 8.240 nan 0.000 0.484 379 V N 2.190 122.092 119.914 -0.021 0.000 3.528 379 V HA 0.557 4.669 4.120 -0.014 0.000 0.294 379 V C 0.617 176.673 176.094 -0.063 0.000 1.404 379 V CA -0.022 62.250 62.300 -0.047 0.000 1.065 379 V CB -0.413 31.380 31.823 -0.050 0.000 0.904 379 V HN 0.710 nan 8.190 nan 0.000 0.435 380 L N 3.098 124.277 121.223 -0.074 0.000 2.477 380 L HA 0.217 4.549 4.340 -0.014 0.000 0.272 380 L C -0.582 176.290 176.870 0.004 0.000 1.157 380 L CA -1.018 53.804 54.840 -0.029 0.000 0.889 380 L CB 0.738 42.769 42.059 -0.047 0.000 1.158 380 L HN 0.139 nan 8.230 nan 0.000 0.473 381 P HA -0.214 nan 4.420 nan 0.000 0.216 381 P C 1.002 178.304 177.300 0.004 0.000 1.150 381 P CA 1.248 64.349 63.100 0.002 0.000 0.837 381 P CB 0.052 31.757 31.700 0.009 0.000 0.786 382 E N 0.362 120.592 120.200 0.049 0.000 2.409 382 E HA -0.062 4.280 4.350 -0.014 0.000 0.198 382 E C 1.608 178.182 176.600 -0.044 0.000 1.024 382 E CA 1.108 57.520 56.400 0.021 0.000 0.861 382 E CB -0.738 29.066 29.700 0.172 0.000 0.788 382 E HN 0.202 nan 8.360 nan 0.000 0.521 383 A N 1.204 124.039 122.820 0.026 0.000 2.195 383 A HA 0.237 4.549 4.320 -0.014 0.000 0.210 383 A C 1.331 178.909 177.584 -0.009 0.000 1.165 383 A CA -0.290 51.776 52.037 0.050 0.000 0.806 383 A CB -0.060 18.994 19.000 0.090 0.000 0.847 383 A HN 0.148 nan 8.150 nan 0.000 0.482 384 L N 1.461 122.634 121.223 -0.082 0.000 2.380 384 L HA 0.148 4.480 4.340 -0.014 0.000 0.273 384 L C -0.079 176.481 176.870 -0.515 0.000 1.138 384 L CA -0.212 54.521 54.840 -0.178 0.000 0.832 384 L CB 0.657 42.643 42.059 -0.121 0.000 1.124 384 L HN 0.323 nan 8.230 nan 0.000 0.454 385 E N 4.135 123.931 120.200 -0.675 0.000 2.217 385 E HA 0.212 4.554 4.350 -0.014 0.000 0.279 385 E C -0.601 175.355 176.600 -1.073 0.000 1.068 385 E CA -0.146 55.383 56.400 -1.452 0.000 0.882 385 E CB 0.709 29.914 29.700 -0.825 0.000 1.039 385 E HN 0.386 nan 8.360 nan 0.000 0.418 386 R N 3.638 123.364 120.500 -1.289 0.000 2.472 386 R HA 0.195 4.527 4.340 -0.014 0.000 0.294 386 R C -1.265 174.865 176.300 -0.282 0.000 1.243 386 R CA -0.530 55.266 56.100 -0.506 0.000 1.023 386 R CB 0.804 30.942 30.300 -0.269 0.000 1.157 386 R HN 0.449 nan 8.270 nan 0.000 0.530 387 W N 4.434 125.684 121.300 -0.084 0.000 2.287 387 W HA 0.274 4.926 4.660 -0.014 0.000 0.313 387 W C -1.879 174.621 176.519 -0.032 0.000 1.267 387 W CA -2.164 55.197 57.345 0.028 0.000 1.201 387 W CB 0.751 30.203 29.460 -0.015 0.000 1.196 387 W HN 0.255 nan 8.180 nan 0.000 0.536 388 P HA -0.092 nan 4.420 nan 0.000 0.263 388 P C 0.810 178.058 177.300 -0.088 0.000 1.195 388 P CA 0.253 63.338 63.100 -0.026 0.000 0.762 388 P CB 0.688 32.207 31.700 -0.302 0.000 0.799 389 V N 3.471 123.385 119.914 0.000 0.000 2.380 389 V HA -0.299 3.813 4.120 -0.014 0.000 0.251 389 V C 2.159 178.261 176.094 0.014 0.000 1.063 389 V CA 2.610 64.925 62.300 0.025 0.000 1.055 389 V CB -1.695 30.200 31.823 0.121 0.000 0.657 389 V HN 0.764 nan 8.190 nan 0.000 0.455 390 H N -0.978 118.150 119.070 0.096 0.000 2.421 390 H HA -0.098 4.450 4.556 -0.013 0.000 0.298 390 H C 2.016 177.394 175.328 0.082 0.000 1.087 390 H CA 1.693 57.794 56.048 0.087 0.000 1.330 390 H CB -0.632 29.183 29.762 0.087 0.000 1.388 390 H HN 0.360 nan 8.280 nan 0.000 0.526 391 L N -0.089 120.974 121.223 -0.266 0.000 2.027 391 L HA -0.102 4.230 4.340 -0.014 0.000 0.206 391 L C 2.368 179.192 176.870 -0.077 0.000 1.074 391 L CA 1.072 55.859 54.840 -0.089 0.000 0.745 391 L CB -0.244 41.756 42.059 -0.098 0.000 0.898 391 L HN 0.319 nan 8.230 nan 0.000 0.433 392 L N -0.760 120.394 121.223 -0.114 0.000 2.156 392 L HA -0.197 4.135 4.340 -0.014 0.000 0.208 392 L C 2.463 179.272 176.870 -0.102 0.000 1.095 392 L CA 0.917 55.664 54.840 -0.156 0.000 0.770 392 L CB -0.345 41.608 42.059 -0.177 0.000 0.914 392 L HN 0.286 nan 8.230 nan 0.000 0.439 393 E N -0.329 119.854 120.200 -0.029 0.000 2.085 393 E HA -0.210 4.132 4.350 -0.014 0.000 0.194 393 E C 1.918 178.554 176.600 0.061 0.000 0.994 393 E CA 1.938 58.352 56.400 0.023 0.000 0.801 393 E CB 0.149 29.901 29.700 0.087 0.000 0.743 393 E HN 0.402 nan 8.360 nan 0.000 0.453 394 T N 0.656 115.270 114.554 0.100 0.000 2.809 394 T HA -0.076 4.266 4.350 -0.014 0.000 0.260 394 T C 1.720 176.536 174.700 0.192 0.000 1.039 394 T CA 0.740 62.950 62.100 0.184 0.000 1.141 394 T CB -0.129 68.878 68.868 0.231 0.000 0.869 394 T HN 0.069 nan 8.240 nan 0.000 0.437 395 L N -0.022 121.217 121.223 0.026 0.000 2.127 395 L HA 0.349 4.681 4.340 -0.014 0.000 0.203 395 L C 0.470 177.289 176.870 -0.085 0.000 1.080 395 L CA 1.589 56.331 54.840 -0.163 0.000 0.768 395 L CB 0.037 41.957 42.059 -0.230 0.000 0.924 395 L HN 0.176 nan 8.230 nan 0.000 0.444 396 L N 0.668 121.800 121.223 -0.150 0.000 2.625 396 L HA 0.280 4.612 4.340 -0.014 0.000 0.255 396 L C -1.714 174.971 176.870 -0.307 0.000 1.493 396 L CA -0.877 53.781 54.840 -0.304 0.000 0.796 396 L CB 0.914 42.650 42.059 -0.540 0.000 1.064 396 L HN -0.043 nan 8.230 nan 0.000 0.516 397 P HA -0.189 nan 4.420 nan 0.000 0.217 397 P C 1.472 178.579 177.300 -0.321 0.000 1.150 397 P CA 1.145 64.124 63.100 -0.200 0.000 0.832 397 P CB 0.358 32.018 31.700 -0.067 0.000 0.787 398 R N -0.265 119.859 120.500 -0.627 0.000 2.092 398 R HA -0.139 4.193 4.340 -0.014 0.000 0.231 398 R C 2.318 178.312 176.300 -0.509 0.000 1.119 398 R CA 1.549 57.288 56.100 -0.603 0.000 0.970 398 R CB -1.331 28.446 30.300 -0.872 0.000 0.864 398 R HN 0.215 nan 8.270 nan 0.000 0.440 399 H N -0.228 118.529 119.070 -0.521 0.000 2.387 399 H HA -0.057 4.491 4.556 -0.014 0.000 0.299 399 H C 1.799 176.953 175.328 -0.291 0.000 1.090 399 H CA 1.649 57.475 56.048 -0.370 0.000 1.332 399 H CB -0.083 29.422 29.762 -0.429 0.000 1.386 399 H HN 0.105 nan 8.280 nan 0.000 0.516 400 L N 0.526 121.622 121.223 -0.211 0.000 2.046 400 L HA -0.249 4.083 4.340 -0.014 0.000 0.208 400 L C 1.900 178.573 176.870 -0.329 0.000 1.077 400 L CA 1.588 56.232 54.840 -0.326 0.000 0.747 400 L CB -0.295 41.584 42.059 -0.300 0.000 0.896 400 L HN 0.449 nan 8.230 nan 0.000 0.432 401 Q N -0.293 119.421 119.800 -0.143 0.000 2.096 401 Q HA -0.250 4.082 4.340 -0.014 0.000 0.204 401 Q C 2.159 178.174 176.000 0.024 0.000 0.982 401 Q CA 1.744 57.552 55.803 0.009 0.000 0.850 401 Q CB -0.133 28.612 28.738 0.011 0.000 0.901 401 Q HN 0.558 nan 8.270 nan 0.000 0.422 402 I N 0.320 120.884 120.570 -0.010 0.000 2.252 402 I HA -0.263 3.899 4.170 -0.014 0.000 0.245 402 I C 2.145 178.335 176.117 0.121 0.000 1.102 402 I CA 0.967 62.344 61.300 0.128 0.000 1.385 402 I CB -0.118 37.911 38.000 0.050 0.000 1.064 402 I HN 0.182 nan 8.210 nan 0.000 0.414 403 I N -0.480 120.083 120.570 -0.013 0.000 2.226 403 I HA -0.323 3.839 4.170 -0.014 0.000 0.245 403 I C 2.384 178.518 176.117 0.028 0.000 1.100 403 I CA 1.437 62.718 61.300 -0.032 0.000 1.374 403 I CB -0.388 37.527 38.000 -0.143 0.000 1.057 403 I HN 0.158 nan 8.210 nan 0.000 0.413 404 Y N 0.842 121.146 120.300 0.007 0.000 2.181 404 Y HA -0.280 4.262 4.550 -0.013 0.000 0.288 404 Y C 2.611 178.478 175.900 -0.055 0.000 1.146 404 Y CA 1.604 59.695 58.100 -0.015 0.000 1.164 404 Y CB -0.805 37.639 38.460 -0.027 0.000 0.982 404 Y HN 0.209 nan 8.280 nan 0.000 0.515 405 E N 0.345 120.586 120.200 0.067 0.000 2.072 405 E HA -0.143 4.199 4.350 -0.014 0.000 0.191 405 E C 2.085 178.605 176.600 -0.134 0.000 0.985 405 E CA 1.266 57.568 56.400 -0.164 0.000 0.801 405 E CB -0.540 28.895 29.700 -0.442 0.000 0.750 405 E HN 0.465 nan 8.360 nan 0.000 0.452 406 I N 0.750 121.340 120.570 0.034 0.000 2.163 406 I HA -0.311 3.851 4.170 -0.014 0.000 0.243 406 I C 2.307 178.429 176.117 0.009 0.000 1.085 406 I CA 1.491 62.764 61.300 -0.046 0.000 1.347 406 I CB -0.424 37.556 38.000 -0.034 0.000 1.044 406 I HN 0.229 nan 8.210 nan 0.000 0.408 407 N N 0.672 119.424 118.700 0.086 0.000 2.084 407 N HA -0.270 4.462 4.740 -0.014 0.000 0.190 407 N C 1.872 177.469 175.510 0.144 0.000 1.030 407 N CA 1.583 54.733 53.050 0.166 0.000 0.849 407 N CB -0.171 38.430 38.487 0.190 0.000 1.012 407 N HN 0.322 nan 8.380 nan 0.000 0.423 408 Q N 0.029 119.860 119.800 0.052 0.000 2.061 408 Q HA -0.152 4.180 4.340 -0.014 0.000 0.204 408 Q C 2.044 178.031 176.000 -0.023 0.000 0.984 408 Q CA 1.495 57.293 55.803 -0.009 0.000 0.846 408 Q CB -0.023 28.669 28.738 -0.076 0.000 0.902 408 Q HN 0.376 nan 8.270 nan 0.000 0.421 409 R N -0.704 119.762 120.500 -0.057 0.000 2.092 409 R HA -0.124 4.208 4.340 -0.014 0.000 0.231 409 R C 2.169 178.496 176.300 0.045 0.000 1.119 409 R CA 1.368 57.433 56.100 -0.058 0.000 0.970 409 R CB -0.373 29.841 30.300 -0.144 0.000 0.864 409 R HN 0.283 nan 8.270 nan 0.000 0.440 410 F N 1.361 121.290 119.950 -0.036 0.000 2.102 410 F HA -0.106 4.413 4.527 -0.014 0.000 0.298 410 F C 1.792 177.617 175.800 0.041 0.000 1.105 410 F CA 1.366 59.393 58.000 0.044 0.000 1.239 410 F CB -0.137 38.921 39.000 0.097 0.000 0.991 410 F HN -0.106 nan 8.300 nan 0.000 0.474 411 L N -0.063 121.175 121.223 0.025 0.000 2.201 411 L HA -0.208 4.124 4.340 -0.014 0.000 0.212 411 L C 1.941 178.750 176.870 -0.101 0.000 1.105 411 L CA 1.356 56.151 54.840 -0.074 0.000 0.775 411 L CB -0.843 41.232 42.059 0.027 0.000 0.913 411 L HN 0.256 nan 8.230 nan 0.000 0.440 412 N N -0.194 118.462 118.700 -0.072 0.000 2.188 412 N HA -0.150 4.582 4.740 -0.014 0.000 0.184 412 N C 1.920 177.378 175.510 -0.087 0.000 1.018 412 N CA 0.664 53.673 53.050 -0.068 0.000 0.858 412 N CB 0.036 38.490 38.487 -0.055 0.000 0.989 412 N HN 0.268 nan 8.380 nan 0.000 0.426 413 R N 0.575 121.003 120.500 -0.120 0.000 2.075 413 R HA -0.047 4.284 4.340 -0.014 0.000 0.232 413 R C 2.187 178.386 176.300 -0.167 0.000 1.126 413 R CA 0.858 56.879 56.100 -0.132 0.000 0.963 413 R CB -0.263 29.958 30.300 -0.130 0.000 0.858 413 R HN 0.063 nan 8.270 nan 0.000 0.435 414 V N 0.873 120.635 119.914 -0.255 0.000 2.295 414 V HA -0.255 3.856 4.120 -0.014 0.000 0.246 414 V C 2.413 178.505 176.094 -0.003 0.000 1.049 414 V CA 2.009 64.227 62.300 -0.138 0.000 1.024 414 V CB -0.767 30.908 31.823 -0.248 0.000 0.648 414 V HN 0.425 nan 8.190 nan 0.000 0.447 415 A N -0.008 122.783 122.820 -0.047 0.000 1.940 415 A HA -0.138 4.173 4.320 -0.014 0.000 0.219 415 A C 2.370 179.936 177.584 -0.030 0.000 1.176 415 A CA 2.185 54.210 52.037 -0.019 0.000 0.631 415 A CB -0.709 18.271 19.000 -0.034 0.000 0.814 415 A HN 0.598 nan 8.150 nan 0.000 0.446 416 A N -0.688 122.095 122.820 -0.062 0.000 2.014 416 A HA 0.319 4.631 4.320 -0.014 0.000 0.218 416 A C 2.355 179.858 177.584 -0.135 0.000 1.163 416 A CA 1.665 53.654 52.037 -0.080 0.000 0.652 416 A CB -0.629 18.327 19.000 -0.073 0.000 0.808 416 A HN 0.949 nan 8.150 nan 0.000 0.449 417 A N -1.541 121.162 122.820 -0.194 0.000 1.975 417 A HA 0.388 4.700 4.320 -0.014 0.000 0.215 417 A C 0.448 177.616 177.584 -0.694 0.000 1.170 417 A CA 0.516 52.276 52.037 -0.462 0.000 0.656 417 A CB -0.130 18.532 19.000 -0.563 0.000 0.821 417 A HN 0.417 nan 8.150 nan 0.000 0.449 418 F N 0.119 120.023 119.950 -0.077 0.000 2.622 418 F HA 0.348 4.867 4.527 -0.014 0.000 0.338 418 F C -2.796 172.969 175.800 -0.060 0.000 1.334 418 F CA -2.727 55.233 58.000 -0.067 0.000 1.179 418 F CB 0.850 39.802 39.000 -0.079 0.000 1.471 418 F HN -0.062 nan 8.300 nan 0.000 0.576 419 P HA 0.207 nan 4.420 nan 0.000 0.267 419 P C 0.988 178.308 177.300 0.034 0.000 1.205 419 P CA 0.856 63.969 63.100 0.022 0.000 0.765 419 P CB 0.953 32.648 31.700 -0.009 0.000 0.828 420 G N 2.387 111.199 108.800 0.021 0.000 2.179 420 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.260 420 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.260 420 G C 0.284 175.193 174.900 0.015 0.000 0.977 420 G CA 0.018 45.126 45.100 0.014 0.000 0.641 420 G HN 0.609 nan 8.290 nan 0.000 0.533 421 D N 1.305 121.722 120.400 0.028 0.000 2.551 421 D HA 0.383 5.015 4.640 -0.014 0.000 0.223 421 D C 2.069 178.357 176.300 -0.019 0.000 1.144 421 D CA 0.362 54.364 54.000 0.003 0.000 1.025 421 D CB 0.385 41.186 40.800 0.001 0.000 1.085 421 D HN 0.569 nan 8.370 nan 0.000 0.506 422 V N 0.655 120.560 119.914 -0.015 0.000 2.515 422 V HA -0.121 3.990 4.120 -0.014 0.000 0.250 422 V C 1.760 177.842 176.094 -0.021 0.000 1.058 422 V CA 1.424 63.715 62.300 -0.015 0.000 1.064 422 V CB -0.416 31.402 31.823 -0.009 0.000 0.675 422 V HN 0.201 nan 8.190 nan 0.000 0.461 423 D N 0.333 120.717 120.400 -0.027 0.000 2.183 423 D HA -0.133 4.499 4.640 -0.014 0.000 0.203 423 D C 2.333 178.605 176.300 -0.047 0.000 0.969 423 D CA 1.145 55.129 54.000 -0.027 0.000 0.842 423 D CB -0.186 40.599 40.800 -0.024 0.000 0.957 423 D HN 0.408 nan 8.370 nan 0.000 0.484 424 R N -0.081 120.367 120.500 -0.087 0.000 2.091 424 R HA -0.114 4.218 4.340 -0.014 0.000 0.238 424 R C 2.257 178.489 176.300 -0.115 0.000 1.136 424 R CA 0.970 56.982 56.100 -0.148 0.000 0.959 424 R CB -0.289 29.861 30.300 -0.249 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.437 425 L N 0.518 121.698 121.223 -0.072 0.000 2.012 425 L HA -0.236 4.096 4.340 -0.014 0.000 0.210 425 L C 2.704 179.577 176.870 0.006 0.000 1.073 425 L CA 1.997 56.815 54.840 -0.037 0.000 0.748 425 L CB -0.513 41.533 42.059 -0.021 0.000 0.891 425 L HN 0.304 nan 8.230 nan 0.000 0.431 426 R N 0.070 120.579 120.500 0.014 0.000 2.115 426 R HA -0.093 4.239 4.340 -0.014 0.000 0.226 426 R C 2.164 178.513 176.300 0.081 0.000 1.100 426 R CA 0.979 57.108 56.100 0.049 0.000 0.980 426 R CB -0.519 29.804 30.300 0.039 0.000 0.875 426 R HN 0.188 nan 8.270 nan 0.000 0.445 427 R N 0.146 120.676 120.500 0.050 0.000 2.092 427 R HA 0.084 4.416 4.340 -0.014 0.000 0.231 427 R C 2.042 178.419 176.300 0.129 0.000 1.119 427 R CA 1.839 57.991 56.100 0.088 0.000 0.970 427 R CB -0.211 30.102 30.300 0.022 0.000 0.864 427 R HN 0.337 nan 8.270 nan 0.000 0.440 428 M N 0.106 119.707 119.600 0.001 0.000 2.509 428 M HA 0.045 4.516 4.480 -0.014 0.000 0.250 428 M C 0.865 177.295 176.300 0.216 0.000 1.132 428 M CA -0.006 55.236 55.300 -0.098 0.000 1.080 428 M CB 0.447 32.844 32.600 -0.338 0.000 1.408 428 M HN -0.080 nan 8.290 nan 0.000 0.484 429 S N 1.122 116.971 115.700 0.248 0.000 2.558 429 S HA 0.057 4.519 4.470 -0.014 0.000 0.288 429 S C 1.151 175.997 174.600 0.410 0.000 1.318 429 S CA -0.254 58.121 58.200 0.292 0.000 1.056 429 S CB 0.574 63.895 63.200 0.201 0.000 0.853 429 S HN 0.370 nan 8.310 nan 0.000 0.505 430 L N 4.068 125.488 121.223 0.329 0.000 2.291 430 L HA 0.088 4.420 4.340 -0.014 0.000 0.214 430 L C 0.355 177.337 176.870 0.186 0.000 1.120 430 L CA 0.344 55.342 54.840 0.263 0.000 0.799 430 L CB -0.437 41.719 42.059 0.161 0.000 0.925 430 L HN 0.411 nan 8.230 nan 0.000 0.446 431 V N 0.843 120.877 119.914 0.200 0.000 2.383 431 V HA 0.154 4.266 4.120 -0.014 0.000 0.275 431 V C 0.101 176.285 176.094 0.149 0.000 1.036 431 V CA -0.548 61.858 62.300 0.177 0.000 0.889 431 V CB 1.328 33.290 31.823 0.232 0.000 0.985 431 V HN 0.172 nan 8.190 nan 0.000 0.459 432 E N 3.339 123.607 120.200 0.113 0.000 2.146 432 E HA 0.370 4.712 4.350 -0.014 0.000 0.282 432 E C -0.628 176.025 176.600 0.088 0.000 0.989 432 E CA -0.500 55.956 56.400 0.093 0.000 0.799 432 E CB 1.707 31.442 29.700 0.058 0.000 1.088 432 E HN 0.632 nan 8.360 nan 0.000 0.397 433 E N 0.990 121.239 120.200 0.080 0.000 2.349 433 E HA 0.584 4.926 4.350 -0.014 0.000 0.262 433 E C 0.130 176.765 176.600 0.060 0.000 1.088 433 E CA 0.316 56.757 56.400 0.069 0.000 0.899 433 E CB 1.431 31.165 29.700 0.057 0.000 1.044 433 E HN 0.637 nan 8.360 nan 0.000 0.420 434 G N -0.191 108.643 108.800 0.057 0.000 2.351 434 G HA2 0.309 4.261 3.960 -0.014 0.000 0.279 434 G HA3 0.309 4.261 3.960 -0.014 0.000 0.279 434 G C 0.261 175.193 174.900 0.053 0.000 1.297 434 G CA -0.029 45.101 45.100 0.051 0.000 0.886 434 G HN 0.544 nan 8.290 nan 0.000 0.493 435 A N -0.927 121.923 122.820 0.050 0.000 1.859 435 A HA 0.308 4.620 4.320 -0.014 0.000 0.217 435 A C 1.637 179.261 177.584 0.068 0.000 1.198 435 A CA 3.363 55.429 52.037 0.050 0.000 0.629 435 A CB -1.227 17.799 19.000 0.044 0.000 0.830 435 A HN 2.228 nan 8.150 nan 0.000 0.446 436 V N -2.671 117.294 119.914 0.085 0.000 2.435 436 V HA 0.513 4.625 4.120 -0.014 0.000 0.290 436 V C -0.430 175.734 176.094 0.116 0.000 1.030 436 V CA -1.392 60.983 62.300 0.125 0.000 0.881 436 V CB 1.353 33.278 31.823 0.170 0.000 0.983 436 V HN 0.308 nan 8.190 nan 0.000 0.445 437 K N 4.156 124.634 120.400 0.131 0.000 2.350 437 K HA 0.512 4.824 4.320 -0.014 0.000 0.279 437 K C -0.373 176.296 176.600 0.115 0.000 1.027 437 K CA -0.236 56.124 56.287 0.121 0.000 0.969 437 K CB 1.014 33.598 32.500 0.140 0.000 0.954 437 K HN 0.735 nan 8.250 nan 0.000 0.474 438 R N 1.576 122.132 120.500 0.094 0.000 2.837 438 R HA 0.474 4.805 4.340 -0.014 0.000 0.271 438 R C -0.571 175.768 176.300 0.065 0.000 0.993 438 R CA -1.021 55.124 56.100 0.074 0.000 0.931 438 R CB 1.324 31.650 30.300 0.043 0.000 1.206 438 R HN 0.378 nan 8.270 nan 0.000 0.474 439 I N 1.937 122.540 120.570 0.055 0.000 2.336 439 I HA 0.152 4.314 4.170 -0.014 0.000 0.292 439 I C -0.066 176.035 176.117 -0.026 0.000 0.991 439 I CA -0.714 60.605 61.300 0.032 0.000 1.227 439 I CB 1.041 39.056 38.000 0.026 0.000 1.366 439 I HN 0.496 nan 8.210 nan 0.000 0.466 440 N N 7.048 125.705 118.700 -0.073 0.000 2.402 440 N HA 0.093 4.825 4.740 -0.014 0.000 0.252 440 N C 0.781 176.191 175.510 -0.167 0.000 1.118 440 N CA -0.308 52.616 53.050 -0.209 0.000 0.945 440 N CB 0.981 39.193 38.487 -0.458 0.000 1.147 440 N HN 0.378 nan 8.380 nan 0.000 0.495 441 M N 2.469 121.971 119.600 -0.164 0.000 2.296 441 M HA -0.037 4.435 4.480 -0.014 0.000 0.265 441 M C 1.901 178.060 176.300 -0.236 0.000 1.064 441 M CA 0.635 55.856 55.300 -0.131 0.000 1.109 441 M CB -1.523 31.044 32.600 -0.055 0.000 1.396 441 M HN 0.606 nan 8.290 nan 0.000 0.430 442 A N -0.439 122.235 122.820 -0.243 0.000 1.898 442 A HA -0.166 4.146 4.320 -0.014 0.000 0.216 442 A C 1.986 179.345 177.584 -0.375 0.000 1.181 442 A CA 1.422 53.275 52.037 -0.306 0.000 0.620 442 A CB -1.104 17.917 19.000 0.035 0.000 0.819 442 A HN 0.590 nan 8.150 nan 0.000 0.442 443 H N -1.052 117.809 119.070 -0.348 0.000 2.389 443 H HA -0.023 4.525 4.556 -0.014 0.000 0.299 443 H C 2.116 177.231 175.328 -0.355 0.000 1.081 443 H CA 0.929 56.743 56.048 -0.390 0.000 1.345 443 H CB -0.052 29.693 29.762 -0.029 0.000 1.393 443 H HN 0.368 nan 8.280 nan 0.000 0.520 444 L N 0.390 121.536 121.223 -0.128 0.000 2.042 444 L HA -0.230 4.102 4.340 -0.014 0.000 0.210 444 L C 2.247 178.985 176.870 -0.221 0.000 1.076 444 L CA 1.284 56.043 54.840 -0.134 0.000 0.749 444 L CB -0.386 41.620 42.059 -0.088 0.000 0.893 444 L HN 0.449 nan 8.230 nan 0.000 0.432 445 C N -0.022 119.044 119.300 -0.390 0.000 2.429 445 C HA -0.164 4.288 4.460 -0.014 0.000 0.277 445 C C 2.653 177.391 174.990 -0.420 0.000 1.262 445 C CA 0.596 59.303 59.018 -0.518 0.000 1.733 445 C CB -0.725 26.323 27.740 -1.153 0.000 2.010 445 C HN 0.511 nan 8.230 nan 0.000 0.483 446 I N 1.438 121.715 120.570 -0.488 0.000 2.202 446 I HA -0.186 3.976 4.170 -0.014 0.000 0.242 446 I C 2.764 178.736 176.117 -0.242 0.000 1.091 446 I CA 1.617 62.675 61.300 -0.402 0.000 1.368 446 I CB -0.604 37.016 38.000 -0.634 0.000 1.058 446 I HN 0.254 nan 8.210 nan 0.000 0.410 447 A N 0.622 123.266 122.820 -0.293 0.000 1.908 447 A HA -0.141 4.171 4.320 -0.014 0.000 0.218 447 A C 2.215 179.845 177.584 0.077 0.000 1.181 447 A CA 2.029 53.931 52.037 -0.225 0.000 0.627 447 A CB -1.233 17.447 19.000 -0.534 0.000 0.818 447 A HN 0.493 nan 8.150 nan 0.000 0.445 448 G N -1.336 107.446 108.800 -0.030 0.000 3.337 448 G HA2 0.423 4.375 3.960 -0.014 0.000 0.246 448 G HA3 0.423 4.375 3.960 -0.014 0.000 0.246 448 G C 0.063 174.806 174.900 -0.262 0.000 1.131 448 G CA 0.502 45.470 45.100 -0.220 0.000 0.773 448 G HN 0.346 nan 8.290 nan 0.000 0.544 449 S N -0.229 115.369 115.700 -0.170 0.000 2.513 449 S HA 0.314 4.776 4.470 -0.014 0.000 0.299 449 S C 0.779 175.325 174.600 -0.090 0.000 1.087 449 S CA -0.709 57.417 58.200 -0.123 0.000 1.012 449 S CB 1.310 64.439 63.200 -0.117 0.000 1.044 449 S HN 0.497 nan 8.310 nan 0.000 0.485 450 H N 0.176 119.205 119.070 -0.068 0.000 2.535 450 H HA 0.419 4.967 4.556 -0.014 0.000 0.273 450 H C 0.191 175.502 175.328 -0.028 0.000 0.983 450 H CA 0.409 56.445 56.048 -0.021 0.000 1.238 450 H CB 0.128 29.893 29.762 0.006 0.000 1.412 450 H HN 0.509 nan 8.280 nan 0.000 0.562 451 A N 1.169 123.642 122.820 -0.579 0.000 2.455 451 A HA 0.562 4.874 4.320 -0.014 0.000 0.300 451 A C -1.309 176.061 177.584 -0.357 0.000 1.040 451 A CA -0.592 51.177 52.037 -0.447 0.000 0.697 451 A CB 2.272 20.972 19.000 -0.500 0.000 1.265 451 A HN 0.100 nan 8.150 nan 0.000 0.407 452 V N 4.295 123.966 119.914 -0.406 0.000 2.531 452 V HA 0.520 4.632 4.120 -0.014 0.000 0.301 452 V C -0.704 175.200 176.094 -0.317 0.000 1.034 452 V CA -0.787 61.267 62.300 -0.409 0.000 0.865 452 V CB 1.753 33.174 31.823 -0.669 0.000 0.995 452 V HN 1.006 nan 8.190 nan 0.000 0.424 453 N N 3.205 121.738 118.700 -0.278 0.000 2.240 453 N HA 0.606 5.338 4.740 -0.014 0.000 0.302 453 N C -0.252 175.155 175.510 -0.171 0.000 1.106 453 N CA -0.369 52.562 53.050 -0.197 0.000 0.778 453 N CB 2.894 41.242 38.487 -0.231 0.000 1.431 453 N HN 0.632 nan 8.380 nan 0.000 0.479 454 G N -0.695 108.043 108.800 -0.102 0.000 2.535 454 G HA2 0.426 4.378 3.960 -0.014 0.000 0.303 454 G HA3 0.426 4.378 3.960 -0.014 0.000 0.303 454 G C 0.726 175.695 174.900 0.115 0.000 1.237 454 G CA -0.473 44.627 45.100 -0.002 0.000 0.986 454 G HN 0.649 nan 8.290 nan 0.000 0.494 455 V N -3.894 116.211 119.914 0.319 0.000 3.380 455 V HA 0.706 4.818 4.120 -0.014 0.000 0.307 455 V C 0.511 176.689 176.094 0.140 0.000 1.434 455 V CA 0.387 62.780 62.300 0.155 0.000 1.075 455 V CB -0.695 31.179 31.823 0.085 0.000 0.954 455 V HN 1.381 nan 8.190 nan 0.000 0.444 456 A N -0.033 122.880 122.820 0.156 0.000 2.599 456 A HA 0.641 4.953 4.320 -0.014 0.000 0.294 456 A C 0.657 178.293 177.584 0.087 0.000 1.055 456 A CA -0.086 52.019 52.037 0.112 0.000 0.683 456 A CB 1.169 20.224 19.000 0.090 0.000 1.278 456 A HN 0.029 nan 8.150 nan 0.000 0.412 457 R N 0.743 121.273 120.500 0.050 0.000 2.096 457 R HA -0.148 4.184 4.340 -0.014 0.000 0.240 457 R C 1.652 177.951 176.300 -0.001 0.000 1.139 457 R CA 2.259 58.365 56.100 0.011 0.000 0.952 457 R CB -0.232 30.070 30.300 0.003 0.000 0.854 457 R HN 0.814 nan 8.270 nan 0.000 0.436 458 I N 0.261 120.839 120.570 0.014 0.000 2.286 458 I HA -0.293 3.868 4.170 -0.014 0.000 0.248 458 I C 2.341 178.467 176.117 0.016 0.000 1.115 458 I CA 1.798 63.098 61.300 0.001 0.000 1.392 458 I CB -0.212 37.787 38.000 -0.001 0.000 1.065 458 I HN 0.346 nan 8.210 nan 0.000 0.418 459 H N 0.243 119.285 119.070 -0.047 0.000 2.326 459 H HA -0.119 4.429 4.556 -0.014 0.000 0.301 459 H C 2.278 177.571 175.328 -0.058 0.000 1.081 459 H CA 2.197 58.212 56.048 -0.055 0.000 1.334 459 H CB -0.278 29.458 29.762 -0.043 0.000 1.385 459 H HN 0.226 nan 8.280 nan 0.000 0.504 460 S N 0.377 115.958 115.700 -0.199 0.000 2.382 460 S HA -0.127 4.334 4.470 -0.014 0.000 0.228 460 S C 1.889 176.365 174.600 -0.208 0.000 1.027 460 S CA 1.224 59.286 58.200 -0.231 0.000 0.991 460 S CB -0.076 63.060 63.200 -0.107 0.000 0.823 460 S HN 0.488 nan 8.310 nan 0.000 0.469 461 E N 1.163 121.265 120.200 -0.163 0.000 2.072 461 E HA 0.002 4.344 4.350 -0.014 0.000 0.191 461 E C 2.038 178.524 176.600 -0.190 0.000 0.985 461 E CA 0.620 56.915 56.400 -0.175 0.000 0.801 461 E CB -0.385 29.245 29.700 -0.117 0.000 0.750 461 E HN 0.501 nan 8.360 nan 0.000 0.452 462 I N 1.042 121.515 120.570 -0.162 0.000 2.208 462 I HA -0.287 3.875 4.170 -0.014 0.000 0.245 462 I C 2.423 178.415 176.117 -0.209 0.000 1.097 462 I CA 0.862 62.071 61.300 -0.152 0.000 1.363 462 I CB -0.249 37.694 38.000 -0.095 0.000 1.051 462 I HN 0.067 nan 8.210 nan 0.000 0.413 463 L N 0.360 121.419 121.223 -0.273 0.000 2.042 463 L HA -0.241 4.091 4.340 -0.014 0.000 0.210 463 L C 2.469 179.212 176.870 -0.212 0.000 1.076 463 L CA 1.614 56.300 54.840 -0.256 0.000 0.749 463 L CB -0.578 41.391 42.059 -0.151 0.000 0.893 463 L HN 0.211 nan 8.230 nan 0.000 0.432 464 K N -0.126 120.078 120.400 -0.326 0.000 2.217 464 K HA -0.100 4.212 4.320 -0.014 0.000 0.202 464 K C 1.932 178.337 176.600 -0.325 0.000 1.051 464 K CA 0.873 56.836 56.287 -0.539 0.000 0.952 464 K CB 0.104 32.037 32.500 -0.944 0.000 0.736 464 K HN 0.295 nan 8.250 nan 0.000 0.453 465 K N -0.185 120.081 120.400 -0.224 0.000 2.334 465 K HA 0.001 4.313 4.320 -0.014 0.000 0.195 465 K C 1.763 178.310 176.600 -0.088 0.000 1.045 465 K CA 1.129 57.337 56.287 -0.132 0.000 1.004 465 K CB 0.664 33.094 32.500 -0.117 0.000 0.837 465 K HN 0.217 nan 8.250 nan 0.000 0.510 466 T N -1.204 113.286 114.554 -0.107 0.000 3.257 466 T HA 0.071 4.413 4.350 -0.014 0.000 0.176 466 T C 1.904 176.557 174.700 -0.079 0.000 0.892 466 T CA -0.061 61.988 62.100 -0.085 0.000 1.147 466 T CB -0.734 68.076 68.868 -0.096 0.000 1.840 466 T HN 0.099 nan 8.240 nan 0.000 0.375 467 I N -0.959 119.501 120.570 -0.183 0.000 2.394 467 I HA 0.242 4.404 4.170 -0.014 0.000 0.251 467 I C 1.373 177.461 176.117 -0.048 0.000 1.136 467 I CA 1.292 62.456 61.300 -0.225 0.000 1.425 467 I CB -0.576 37.146 38.000 -0.464 0.000 1.079 467 I HN 0.258 nan 8.210 nan 0.000 0.425 468 F N 0.915 120.931 119.950 0.111 0.000 2.708 468 F HA 0.340 4.859 4.527 -0.014 0.000 0.300 468 F C 1.994 177.875 175.800 0.135 0.000 1.118 468 F CA -0.656 57.475 58.000 0.218 0.000 1.307 468 F CB 0.154 39.274 39.000 0.199 0.000 0.986 468 F HN -0.075 nan 8.300 nan 0.000 0.522 469 K N 1.082 121.596 120.400 0.191 0.000 2.044 469 K HA -0.216 4.096 4.320 -0.014 0.000 0.210 469 K C 1.356 178.015 176.600 0.100 0.000 1.049 469 K CA 2.232 58.575 56.287 0.093 0.000 0.927 469 K CB -0.018 32.501 32.500 0.033 0.000 0.713 469 K HN 0.136 nan 8.250 nan 0.000 0.443 470 D N -0.099 120.337 120.400 0.061 0.000 2.123 470 D HA -0.168 4.464 4.640 -0.014 0.000 0.196 470 D C 1.806 178.021 176.300 -0.142 0.000 0.992 470 D CA 1.288 55.194 54.000 -0.156 0.000 0.833 470 D CB -0.297 40.312 40.800 -0.317 0.000 0.954 470 D HN 0.258 nan 8.370 nan 0.000 0.455 471 F N -0.307 119.720 119.950 0.128 0.000 2.163 471 F HA -0.126 4.393 4.527 -0.014 0.000 0.297 471 F C 2.339 178.289 175.800 0.249 0.000 1.094 471 F CA 0.457 58.612 58.000 0.258 0.000 1.290 471 F CB -0.681 38.545 39.000 0.377 0.000 1.017 471 F HN -0.045 nan 8.300 nan 0.000 0.483 472 Y N 1.451 121.734 120.300 -0.029 0.000 2.224 472 Y HA -0.213 4.329 4.550 -0.013 0.000 0.289 472 Y C 2.123 178.018 175.900 -0.009 0.000 1.146 472 Y CA 1.652 59.566 58.100 -0.309 0.000 1.182 472 Y CB -0.616 37.480 38.460 -0.607 0.000 0.983 472 Y HN 0.142 nan 8.280 nan 0.000 0.524 473 E N -0.454 119.705 120.200 -0.068 0.000 2.106 473 E HA -0.196 4.146 4.350 -0.014 0.000 0.192 473 E C 2.007 178.672 176.600 0.108 0.000 0.984 473 E CA 1.200 57.571 56.400 -0.048 0.000 0.806 473 E CB -0.269 29.437 29.700 0.009 0.000 0.750 473 E HN 0.436 nan 8.360 nan 0.000 0.458 474 L N 0.936 122.260 121.223 0.169 0.000 2.044 474 L HA -0.051 4.281 4.340 -0.014 0.000 0.205 474 L C 0.239 177.197 176.870 0.147 0.000 1.075 474 L CA 1.674 56.647 54.840 0.222 0.000 0.747 474 L CB 0.380 42.563 42.059 0.207 0.000 0.903 474 L HN -0.108 nan 8.230 nan 0.000 0.435 475 E N -0.150 120.138 120.200 0.146 0.000 3.132 475 E HA 0.183 4.525 4.350 -0.014 0.000 0.241 475 E C -1.999 174.569 176.600 -0.053 0.000 1.196 475 E CA -1.266 55.144 56.400 0.016 0.000 0.869 475 E CB 0.829 30.523 29.700 -0.009 0.000 1.387 475 E HN 0.195 nan 8.360 nan 0.000 0.393 476 P HA -0.244 nan 4.420 nan 0.000 0.218 476 P C 1.213 178.623 177.300 0.184 0.000 1.148 476 P CA 1.369 64.403 63.100 -0.110 0.000 0.822 476 P CB -0.042 31.473 31.700 -0.308 0.000 0.784 477 H N 0.287 119.464 119.070 0.177 0.000 2.489 477 H HA 0.041 4.589 4.556 -0.014 0.000 0.293 477 H C 1.469 176.886 175.328 0.147 0.000 1.066 477 H CA 0.852 56.990 56.048 0.151 0.000 1.305 477 H CB -0.704 29.117 29.762 0.098 0.000 1.386 477 H HN 0.157 nan 8.280 nan 0.000 0.551 478 K N 0.284 120.564 120.400 -0.200 0.000 2.217 478 K HA 0.021 4.332 4.320 -0.014 0.000 0.202 478 K C -0.128 176.325 176.600 -0.245 0.000 1.051 478 K CA 0.342 56.493 56.287 -0.228 0.000 0.952 478 K CB 0.072 32.311 32.500 -0.434 0.000 0.736 478 K HN 0.114 nan 8.250 nan 0.000 0.453 479 F N 1.687 121.661 119.950 0.041 0.000 2.420 479 F HA 0.187 4.706 4.527 -0.014 0.000 0.352 479 F C 0.446 176.246 175.800 0.000 0.000 1.108 479 F CA -0.244 57.781 58.000 0.042 0.000 1.162 479 F CB 1.012 40.090 39.000 0.131 0.000 1.118 479 F HN -0.115 nan 8.300 nan 0.000 0.510 480 Q N 1.798 121.628 119.800 0.051 0.000 2.528 480 Q HA 0.342 4.674 4.340 -0.014 0.000 0.289 480 Q C -1.173 174.789 176.000 -0.065 0.000 1.091 480 Q CA -1.242 54.544 55.803 -0.029 0.000 0.797 480 Q CB 3.134 31.801 28.738 -0.118 0.000 1.466 480 Q HN 0.609 nan 8.270 nan 0.000 0.436 481 N N 0.831 119.477 118.700 -0.090 0.000 2.321 481 N HA 0.266 4.998 4.740 -0.014 0.000 0.299 481 N C -1.422 173.994 175.510 -0.157 0.000 1.048 481 N CA -0.379 52.613 53.050 -0.095 0.000 0.836 481 N CB 0.956 39.409 38.487 -0.057 0.000 1.269 481 N HN 0.282 nan 8.380 nan 0.000 0.486 482 K N 2.794 123.101 120.400 -0.155 0.000 2.675 482 K HA 0.186 4.498 4.320 -0.014 0.000 0.224 482 K C -0.916 175.691 176.600 0.011 0.000 1.003 482 K CA -0.499 55.673 56.287 -0.191 0.000 1.034 482 K CB 1.271 33.434 32.500 -0.560 0.000 1.218 482 K HN 0.534 nan 8.250 nan 0.000 0.507 483 T N 2.107 116.686 114.554 0.043 0.000 2.902 483 T HA 0.044 4.386 4.350 -0.014 0.000 0.301 483 T C 0.769 175.597 174.700 0.214 0.000 1.012 483 T CA 0.341 62.518 62.100 0.129 0.000 1.151 483 T CB 0.247 69.193 68.868 0.129 0.000 0.946 483 T HN 0.357 nan 8.240 nan 0.000 0.542 484 N N 0.689 119.537 118.700 0.247 0.000 2.307 484 N HA 0.390 5.122 4.740 -0.014 0.000 0.230 484 N C 0.496 176.195 175.510 0.314 0.000 1.297 484 N CA -0.162 53.067 53.050 0.298 0.000 0.884 484 N CB 0.404 39.005 38.487 0.190 0.000 1.115 484 N HN 0.758 nan 8.380 nan 0.000 0.436 485 G N -0.515 108.482 108.800 0.328 0.000 2.727 485 G HA2 0.635 4.587 3.960 -0.014 0.000 0.289 485 G HA3 0.635 4.587 3.960 -0.014 0.000 0.289 485 G C -1.324 173.710 174.900 0.223 0.000 1.418 485 G CA -0.734 44.541 45.100 0.293 0.000 0.818 485 G HN 0.600 nan 8.290 nan 0.000 0.486 486 I N -2.427 118.258 120.570 0.193 0.000 2.785 486 I HA 0.731 4.893 4.170 -0.014 0.000 0.302 486 I C -0.182 176.089 176.117 0.257 0.000 1.069 486 I CA -0.946 60.460 61.300 0.177 0.000 1.045 486 I CB 2.466 40.461 38.000 -0.008 0.000 1.236 486 I HN 0.472 nan 8.210 nan 0.000 0.429 487 T N 4.369 119.129 114.554 0.342 0.000 2.779 487 T HA 0.345 4.686 4.350 -0.014 0.000 0.296 487 T C -1.401 173.417 174.700 0.196 0.000 0.938 487 T CA -1.555 60.674 62.100 0.215 0.000 1.119 487 T CB 0.706 69.648 68.868 0.124 0.000 0.891 487 T HN 0.637 nan 8.240 nan 0.000 0.526 488 P HA 0.052 nan 4.420 nan 0.000 0.237 488 P C 1.077 178.347 177.300 -0.050 0.000 1.178 488 P CA 0.281 63.419 63.100 0.063 0.000 0.766 488 P CB 0.369 32.091 31.700 0.036 0.000 0.876 489 R N 0.566 120.991 120.500 -0.126 0.000 2.070 489 R HA -0.006 4.326 4.340 -0.014 0.000 0.227 489 R C 2.692 178.875 176.300 -0.194 0.000 1.147 489 R CA 1.604 57.590 56.100 -0.190 0.000 0.924 489 R CB -1.278 28.912 30.300 -0.183 0.000 0.827 489 R HN 0.034 nan 8.270 nan 0.000 0.431 490 R N -0.776 119.550 120.500 -0.289 0.000 2.081 490 R HA -0.140 4.192 4.340 -0.014 0.000 0.235 490 R C 1.137 177.094 176.300 -0.572 0.000 1.131 490 R CA 1.813 57.580 56.100 -0.556 0.000 0.960 490 R CB -0.194 29.567 30.300 -0.899 0.000 0.856 490 R HN 0.317 nan 8.270 nan 0.000 0.436 491 W N -0.555 120.700 121.300 -0.075 0.000 3.353 491 W HA 0.172 4.824 4.660 -0.014 0.000 0.304 491 W C 0.968 177.455 176.519 -0.054 0.000 1.273 491 W CA -0.722 56.578 57.345 -0.076 0.000 1.773 491 W CB 0.456 29.874 29.460 -0.070 0.000 1.095 491 W HN 0.221 nan 8.180 nan 0.000 0.676 492 L N -2.212 119.066 121.223 0.093 0.000 2.681 492 L HA 0.189 4.521 4.340 -0.014 0.000 0.163 492 L C 1.791 178.677 176.870 0.027 0.000 1.188 492 L CA 0.774 55.662 54.840 0.081 0.000 0.944 492 L CB -0.845 41.289 42.059 0.125 0.000 1.835 492 L HN -0.250 nan 8.230 nan 0.000 0.510 493 V N 1.065 120.973 119.914 -0.010 0.000 2.287 493 V HA -0.280 3.832 4.120 -0.014 0.000 0.248 493 V C 2.440 178.508 176.094 -0.045 0.000 1.053 493 V CA 2.513 64.798 62.300 -0.026 0.000 1.027 493 V CB -0.690 31.088 31.823 -0.075 0.000 0.646 493 V HN 0.505 nan 8.190 nan 0.000 0.447 494 L N 0.419 121.586 121.223 -0.094 0.000 2.023 494 L HA -0.178 4.154 4.340 -0.014 0.000 0.205 494 L C 2.514 179.319 176.870 -0.107 0.000 1.073 494 L CA 2.357 57.124 54.840 -0.120 0.000 0.745 494 L CB -0.262 41.676 42.059 -0.203 0.000 0.900 494 L HN 0.657 nan 8.230 nan 0.000 0.435 495 C N -1.765 117.465 119.300 -0.117 0.000 2.563 495 C HA 0.184 4.635 4.460 -0.014 0.000 0.268 495 C C 1.200 176.172 174.990 -0.030 0.000 1.365 495 C CA -0.281 58.686 59.018 -0.085 0.000 1.754 495 C CB -1.004 26.684 27.740 -0.087 0.000 1.932 495 C HN 0.577 nan 8.230 nan 0.000 0.536 496 N N 1.198 119.892 118.700 -0.010 0.000 2.733 496 N HA 0.297 5.029 4.740 -0.014 0.000 0.271 496 N C -1.785 173.737 175.510 0.019 0.000 1.720 496 N CA -1.635 51.422 53.050 0.011 0.000 0.803 496 N CB 0.805 39.307 38.487 0.025 0.000 1.208 496 N HN 0.252 nan 8.380 nan 0.000 0.498 497 P HA -0.041 nan 4.420 nan 0.000 0.217 497 P C 1.421 178.737 177.300 0.027 0.000 1.150 497 P CA 0.896 64.008 63.100 0.019 0.000 0.832 497 P CB 0.227 31.932 31.700 0.008 0.000 0.787 498 G N 0.634 109.446 108.800 0.019 0.000 2.440 498 G HA2 -0.259 3.693 3.960 -0.014 0.000 0.218 498 G HA3 -0.259 3.693 3.960 -0.014 0.000 0.218 498 G C 1.522 176.432 174.900 0.017 0.000 1.154 498 G CA 0.760 45.869 45.100 0.015 0.000 0.767 498 G HN 0.256 nan 8.290 nan 0.000 0.552 499 L N 1.131 122.366 121.223 0.020 0.000 2.072 499 L HA 0.324 4.656 4.340 -0.014 0.000 0.205 499 L C 3.049 179.950 176.870 0.050 0.000 1.079 499 L CA 1.911 56.762 54.840 0.019 0.000 0.752 499 L CB -0.725 41.344 42.059 0.017 0.000 0.906 499 L HN 0.221 nan 8.230 nan 0.000 0.436 500 A N -0.762 122.109 122.820 0.084 0.000 1.940 500 A HA -0.246 4.066 4.320 -0.014 0.000 0.219 500 A C 2.233 179.910 177.584 0.156 0.000 1.176 500 A CA 1.789 53.926 52.037 0.167 0.000 0.631 500 A CB -0.626 18.470 19.000 0.160 0.000 0.814 500 A HN 0.529 nan 8.150 nan 0.000 0.446 501 E N 0.664 120.919 120.200 0.091 0.000 2.028 501 E HA -0.160 4.182 4.350 -0.014 0.000 0.191 501 E C 1.870 178.507 176.600 0.062 0.000 0.988 501 E CA 1.592 58.036 56.400 0.072 0.000 0.799 501 E CB -0.505 29.221 29.700 0.044 0.000 0.755 501 E HN 0.735 nan 8.360 nan 0.000 0.447 502 I N -1.650 118.953 120.570 0.055 0.000 2.361 502 I HA -0.157 4.005 4.170 -0.014 0.000 0.251 502 I C 2.117 178.294 176.117 0.100 0.000 1.133 502 I CA 1.169 62.515 61.300 0.077 0.000 1.413 502 I CB -0.366 37.674 38.000 0.066 0.000 1.073 502 I HN 0.026 nan 8.210 nan 0.000 0.424 503 I N 1.957 122.558 120.570 0.052 0.000 2.286 503 I HA -0.177 3.984 4.170 -0.014 0.000 0.245 503 I C 3.014 179.060 176.117 -0.118 0.000 1.104 503 I CA 1.303 62.547 61.300 -0.093 0.000 1.397 503 I CB -0.471 37.353 38.000 -0.295 0.000 1.072 503 I HN 0.294 nan 8.210 nan 0.000 0.417 504 A N 0.403 123.249 122.820 0.044 0.000 1.972 504 A HA -0.220 4.092 4.320 -0.014 0.000 0.219 504 A C 2.170 179.776 177.584 0.037 0.000 1.169 504 A CA 1.555 53.672 52.037 0.134 0.000 0.635 504 A CB -0.578 18.537 19.000 0.192 0.000 0.810 504 A HN 0.437 nan 8.150 nan 0.000 0.446 505 E N -0.575 119.628 120.200 0.004 0.000 2.118 505 E HA -0.217 4.125 4.350 -0.014 0.000 0.195 505 E C 2.263 178.820 176.600 -0.071 0.000 0.992 505 E CA 1.285 57.673 56.400 -0.019 0.000 0.804 505 E CB -0.092 29.603 29.700 -0.008 0.000 0.741 505 E HN 0.509 nan 8.360 nan 0.000 0.458 506 R N 0.135 120.529 120.500 -0.176 0.000 2.087 506 R HA 0.065 4.397 4.340 -0.014 0.000 0.216 506 R C 2.368 178.573 176.300 -0.157 0.000 1.114 506 R CA 0.937 56.858 56.100 -0.298 0.000 1.002 506 R CB -0.247 29.539 30.300 -0.857 0.000 0.903 506 R HN 0.325 nan 8.270 nan 0.000 0.445 507 I N -3.015 117.475 120.570 -0.134 0.000 4.154 507 I HA 0.438 4.600 4.170 -0.014 0.000 0.334 507 I C 0.456 176.601 176.117 0.048 0.000 1.371 507 I CA 0.088 61.364 61.300 -0.039 0.000 1.110 507 I CB 0.913 38.869 38.000 -0.072 0.000 1.085 507 I HN 0.190 nan 8.210 nan 0.000 0.398 508 G N 1.933 110.774 108.800 0.068 0.000 2.698 508 G HA2 -0.217 3.735 3.960 -0.014 0.000 0.225 508 G HA3 -0.217 3.735 3.960 -0.014 0.000 0.225 508 G C -0.044 174.989 174.900 0.222 0.000 1.345 508 G CA 0.178 45.345 45.100 0.112 0.000 0.871 508 G HN 0.396 nan 8.290 nan 0.000 0.540 509 E N -0.529 119.755 120.200 0.141 0.000 2.476 509 E HA 0.069 4.410 4.350 -0.014 0.000 0.199 509 E C 1.866 178.424 176.600 -0.070 0.000 1.021 509 E CA -0.008 56.424 56.400 0.053 0.000 0.907 509 E CB 0.197 29.914 29.700 0.027 0.000 0.974 509 E HN 0.448 nan 8.360 nan 0.000 0.489 510 E N 0.405 120.631 120.200 0.044 0.000 2.338 510 E HA -0.162 4.180 4.350 -0.014 0.000 0.197 510 E C 1.600 178.196 176.600 -0.008 0.000 1.007 510 E CA 0.657 57.070 56.400 0.021 0.000 0.849 510 E CB 0.063 29.796 29.700 0.056 0.000 0.774 510 E HN 0.495 nan 8.360 nan 0.000 0.506 511 Y N -1.144 119.158 120.300 0.004 0.000 2.352 511 Y HA -0.043 4.500 4.550 -0.012 0.000 0.292 511 Y C 1.955 177.831 175.900 -0.041 0.000 1.136 511 Y CA 0.604 58.698 58.100 -0.010 0.000 1.227 511 Y CB -0.786 37.671 38.460 -0.005 0.000 0.991 511 Y HN -0.094 nan 8.280 nan 0.000 0.545 512 I N 1.006 121.087 120.570 -0.815 0.000 2.335 512 I HA -0.253 3.909 4.170 -0.014 0.000 0.251 512 I C 1.886 177.739 176.117 -0.439 0.000 1.129 512 I CA 1.903 62.775 61.300 -0.715 0.000 1.402 512 I CB -0.417 37.065 38.000 -0.864 0.000 1.069 512 I HN 0.481 nan 8.210 nan 0.000 0.424 513 S N -2.015 113.534 115.700 -0.252 0.000 2.593 513 S HA 0.156 4.618 4.470 -0.014 0.000 0.236 513 S C 0.191 174.774 174.600 -0.029 0.000 0.991 513 S CA -0.442 57.696 58.200 -0.104 0.000 0.963 513 S CB 0.265 63.480 63.200 0.025 0.000 0.865 513 S HN 0.303 nan 8.310 nan 0.000 0.488 514 D N 0.612 121.002 120.400 -0.016 0.000 2.823 514 D HA 0.245 4.877 4.640 -0.014 0.000 0.255 514 D C 0.315 176.655 176.300 0.067 0.000 1.257 514 D CA -0.379 53.638 54.000 0.027 0.000 0.803 514 D CB 0.411 41.232 40.800 0.035 0.000 1.384 514 D HN 0.095 nan 8.370 nan 0.000 0.541 515 L N 1.203 122.466 121.223 0.066 0.000 2.353 515 L HA -0.004 4.328 4.340 -0.014 0.000 0.220 515 L C 1.384 178.308 176.870 0.088 0.000 1.133 515 L CA 1.511 56.420 54.840 0.116 0.000 0.798 515 L CB -0.069 42.052 42.059 0.103 0.000 0.922 515 L HN 0.256 nan 8.230 nan 0.000 0.445 516 D N -0.691 119.738 120.400 0.048 0.000 2.265 516 D HA -0.216 4.416 4.640 -0.014 0.000 0.208 516 D C 1.972 178.294 176.300 0.037 0.000 0.977 516 D CA 0.835 54.850 54.000 0.024 0.000 0.871 516 D CB 0.028 40.829 40.800 0.003 0.000 0.925 516 D HN 0.543 nan 8.370 nan 0.000 0.485 517 Q N -0.055 119.785 119.800 0.065 0.000 2.291 517 Q HA -0.066 4.266 4.340 -0.014 0.000 0.206 517 Q C 2.307 178.327 176.000 0.035 0.000 0.976 517 Q CA 0.309 56.151 55.803 0.065 0.000 0.875 517 Q CB -0.020 28.784 28.738 0.111 0.000 0.927 517 Q HN 0.402 nan 8.270 nan 0.000 0.450 518 L N 0.237 121.476 121.223 0.027 0.000 2.261 518 L HA -0.210 4.122 4.340 -0.014 0.000 0.216 518 L C 2.320 179.189 176.870 -0.002 0.000 1.114 518 L CA 0.960 55.784 54.840 -0.027 0.000 0.777 518 L CB -0.418 41.637 42.059 -0.006 0.000 0.910 518 L HN 0.226 nan 8.230 nan 0.000 0.440 519 R N 0.384 120.893 120.500 0.015 0.000 2.139 519 R HA -0.189 4.142 4.340 -0.014 0.000 0.243 519 R C 2.097 178.408 176.300 0.018 0.000 1.145 519 R CA 1.156 57.267 56.100 0.018 0.000 0.976 519 R CB -0.238 30.068 30.300 0.011 0.000 0.866 519 R HN 0.399 nan 8.270 nan 0.000 0.449 520 K N 0.579 120.990 120.400 0.017 0.000 2.360 520 K HA -0.111 4.201 4.320 -0.014 0.000 0.201 520 K C 1.798 178.448 176.600 0.084 0.000 1.046 520 K CA 0.825 57.133 56.287 0.035 0.000 0.940 520 K CB -0.066 32.457 32.500 0.038 0.000 0.748 520 K HN 0.232 nan 8.250 nan 0.000 0.465 521 L N 0.397 121.649 121.223 0.048 0.000 2.478 521 L HA -0.113 4.219 4.340 -0.014 0.000 0.223 521 L C 1.776 178.721 176.870 0.126 0.000 1.140 521 L CA -0.015 54.866 54.840 0.068 0.000 0.842 521 L CB -0.175 41.880 42.059 -0.007 0.000 0.953 521 L HN 0.119 nan 8.230 nan 0.000 0.452 522 L N 0.076 121.342 121.223 0.071 0.000 2.191 522 L HA -0.169 4.163 4.340 -0.014 0.000 0.212 522 L C 2.678 179.548 176.870 0.001 0.000 1.103 522 L CA 1.868 56.736 54.840 0.046 0.000 0.769 522 L CB -0.915 41.156 42.059 0.021 0.000 0.908 522 L HN 0.350 nan 8.230 nan 0.000 0.438 523 S N -2.643 113.015 115.700 -0.070 0.000 2.607 523 S HA -0.079 4.383 4.470 -0.014 0.000 0.224 523 S C 1.167 175.506 174.600 -0.435 0.000 0.969 523 S CA 0.263 58.315 58.200 -0.247 0.000 0.927 523 S CB -0.532 62.469 63.200 -0.332 0.000 0.772 523 S HN 0.472 nan 8.310 nan 0.000 0.533 524 Y N -0.597 119.644 120.300 -0.099 0.000 2.557 524 Y HA 0.434 4.982 4.550 -0.004 0.000 0.247 524 Y C 1.877 177.826 175.900 0.080 0.000 1.164 524 Y CA -0.540 57.501 58.100 -0.099 0.000 1.218 524 Y CB 0.263 38.457 38.460 -0.444 0.000 1.210 524 Y HN 0.261 nan 8.280 nan 0.000 0.529 525 V N 0.395 120.409 119.914 0.167 0.000 2.759 525 V HA -0.193 3.919 4.120 -0.014 0.000 0.256 525 V C 0.905 177.071 176.094 0.120 0.000 1.080 525 V CA 2.148 64.543 62.300 0.159 0.000 1.101 525 V CB -0.000 31.877 31.823 0.091 0.000 0.698 525 V HN 0.335 nan 8.190 nan 0.000 0.477 526 D N -0.492 119.957 120.400 0.082 0.000 2.402 526 D HA 0.124 4.756 4.640 -0.014 0.000 0.216 526 D C 0.217 176.563 176.300 0.076 0.000 1.128 526 D CA -0.008 54.028 54.000 0.060 0.000 0.833 526 D CB 0.155 40.968 40.800 0.022 0.000 0.971 526 D HN 0.430 nan 8.370 nan 0.000 0.503 527 D N 1.377 121.859 120.400 0.137 0.000 2.339 527 D HA -0.003 4.629 4.640 -0.014 0.000 0.241 527 D C 1.103 177.508 176.300 0.174 0.000 1.183 527 D CA -0.075 54.026 54.000 0.169 0.000 0.859 527 D CB 1.653 42.623 40.800 0.283 0.000 1.067 527 D HN -0.178 nan 8.370 nan 0.000 0.484 528 E N 3.001 123.268 120.200 0.112 0.000 2.153 528 E HA -0.124 4.218 4.350 -0.014 0.000 0.194 528 E C 1.704 178.358 176.600 0.089 0.000 0.988 528 E CA 1.205 57.655 56.400 0.083 0.000 0.811 528 E CB 0.084 29.816 29.700 0.053 0.000 0.746 528 E HN 0.582 nan 8.360 nan 0.000 0.466 529 A N -0.310 122.581 122.820 0.118 0.000 1.873 529 A HA -0.119 4.193 4.320 -0.014 0.000 0.215 529 A C 2.181 179.855 177.584 0.150 0.000 1.186 529 A CA 1.193 53.298 52.037 0.114 0.000 0.616 529 A CB -0.917 18.154 19.000 0.117 0.000 0.823 529 A HN 0.440 nan 8.150 nan 0.000 0.442 530 F N 0.406 120.377 119.950 0.035 0.000 2.134 530 F HA -0.151 4.369 4.527 -0.012 0.000 0.299 530 F C 2.040 177.848 175.800 0.014 0.000 1.097 530 F CA 1.562 59.568 58.000 0.011 0.000 1.264 530 F CB -0.112 38.908 39.000 0.033 0.000 1.001 530 F HN 0.163 nan 8.300 nan 0.000 0.479 531 I N 0.303 120.893 120.570 0.034 0.000 2.151 531 I HA -0.373 3.789 4.170 -0.014 0.000 0.243 531 I C 2.611 178.670 176.117 -0.096 0.000 1.080 531 I CA 1.826 63.092 61.300 -0.056 0.000 1.339 531 I CB -0.531 37.485 38.000 0.027 0.000 1.039 531 I HN 0.112 nan 8.210 nan 0.000 0.409 532 R N 0.833 121.305 120.500 -0.047 0.000 2.081 532 R HA -0.192 4.140 4.340 -0.014 0.000 0.235 532 R C 1.847 178.099 176.300 -0.079 0.000 1.131 532 R CA 1.951 58.023 56.100 -0.047 0.000 0.960 532 R CB -0.163 30.129 30.300 -0.013 0.000 0.856 532 R HN 0.286 nan 8.270 nan 0.000 0.436 533 D N -0.110 120.226 120.400 -0.106 0.000 2.117 533 D HA -0.114 4.518 4.640 -0.014 0.000 0.198 533 D C 1.972 178.152 176.300 -0.200 0.000 0.982 533 D CA 1.189 55.114 54.000 -0.124 0.000 0.828 533 D CB -0.167 40.581 40.800 -0.087 0.000 0.967 533 D HN 0.087 nan 8.370 nan 0.000 0.464 534 V N 1.492 121.191 119.914 -0.359 0.000 2.287 534 V HA -0.253 3.859 4.120 -0.014 0.000 0.248 534 V C 2.520 178.520 176.094 -0.156 0.000 1.053 534 V CA 1.952 64.051 62.300 -0.336 0.000 1.027 534 V CB -0.829 30.706 31.823 -0.482 0.000 0.646 534 V HN 0.195 nan 8.190 nan 0.000 0.447 535 A N -0.668 122.081 122.820 -0.118 0.000 1.972 535 A HA -0.244 4.068 4.320 -0.014 0.000 0.219 535 A C 2.341 179.889 177.584 -0.059 0.000 1.169 535 A CA 2.055 54.056 52.037 -0.060 0.000 0.635 535 A CB -0.445 18.523 19.000 -0.052 0.000 0.810 535 A HN 0.543 nan 8.150 nan 0.000 0.446 536 K N -0.290 120.070 120.400 -0.067 0.000 2.025 536 K HA -0.058 4.254 4.320 -0.014 0.000 0.207 536 K C 1.808 178.384 176.600 -0.041 0.000 1.049 536 K CA 1.431 57.688 56.287 -0.049 0.000 0.933 536 K CB -0.227 32.247 32.500 -0.044 0.000 0.714 536 K HN 0.217 nan 8.250 nan 0.000 0.438 537 V N 1.781 121.666 119.914 -0.049 0.000 2.343 537 V HA -0.248 3.864 4.120 -0.014 0.000 0.247 537 V C 2.362 178.444 176.094 -0.020 0.000 1.051 537 V CA 1.963 64.244 62.300 -0.032 0.000 1.036 537 V CB -0.447 31.351 31.823 -0.042 0.000 0.654 537 V HN 0.343 nan 8.190 nan 0.000 0.451 538 K N 0.357 120.742 120.400 -0.024 0.000 2.026 538 K HA -0.226 4.086 4.320 -0.014 0.000 0.208 538 K C 2.177 178.753 176.600 -0.039 0.000 1.048 538 K CA 1.765 58.045 56.287 -0.013 0.000 0.929 538 K CB -0.523 31.984 32.500 0.013 0.000 0.713 538 K HN 0.360 nan 8.250 nan 0.000 0.439 539 Q N 0.990 120.760 119.800 -0.050 0.000 2.096 539 Q HA -0.131 4.201 4.340 -0.014 0.000 0.204 539 Q C 1.713 177.694 176.000 -0.032 0.000 0.982 539 Q CA 2.052 57.817 55.803 -0.063 0.000 0.850 539 Q CB -0.095 28.610 28.738 -0.056 0.000 0.901 539 Q HN 0.506 nan 8.270 nan 0.000 0.422 540 E N -0.566 119.628 120.200 -0.010 0.000 2.077 540 E HA -0.162 4.180 4.350 -0.014 0.000 0.193 540 E C 1.740 178.365 176.600 0.041 0.000 0.989 540 E CA 0.981 57.390 56.400 0.015 0.000 0.800 540 E CB -0.086 29.621 29.700 0.012 0.000 0.746 540 E HN 0.398 nan 8.360 nan 0.000 0.452 541 N N 1.027 119.748 118.700 0.036 0.000 2.120 541 N HA -0.132 4.600 4.740 -0.014 0.000 0.188 541 N C 1.508 177.096 175.510 0.130 0.000 1.024 541 N CA 1.061 54.153 53.050 0.070 0.000 0.852 541 N CB -0.085 38.427 38.487 0.043 0.000 1.003 541 N HN 0.137 nan 8.380 nan 0.000 0.424 542 K N 0.480 120.916 120.400 0.061 0.000 2.097 542 K HA 0.035 4.347 4.320 -0.014 0.000 0.205 542 K C 2.090 178.808 176.600 0.196 0.000 1.050 542 K CA 0.589 56.915 56.287 0.066 0.000 0.938 542 K CB -0.108 32.166 32.500 -0.376 0.000 0.718 542 K HN 0.102 nan 8.250 nan 0.000 0.442 543 L N 1.193 122.482 121.223 0.109 0.000 2.027 543 L HA -0.183 4.149 4.340 -0.014 0.000 0.206 543 L C 2.617 179.583 176.870 0.161 0.000 1.074 543 L CA 1.299 56.212 54.840 0.123 0.000 0.745 543 L CB -0.326 41.774 42.059 0.069 0.000 0.898 543 L HN 0.147 nan 8.230 nan 0.000 0.433 544 K N -0.243 120.255 120.400 0.163 0.000 2.063 544 K HA -0.248 4.064 4.320 -0.014 0.000 0.208 544 K C 2.182 178.935 176.600 0.255 0.000 1.048 544 K CA 1.715 58.108 56.287 0.176 0.000 0.928 544 K CB -0.162 32.427 32.500 0.147 0.000 0.713 544 K HN 0.105 nan 8.250 nan 0.000 0.442 545 F N 0.991 121.042 119.950 0.169 0.000 2.259 545 F HA 0.012 4.531 4.527 -0.013 0.000 0.298 545 F C 1.954 177.910 175.800 0.260 0.000 1.088 545 F CA 1.021 59.149 58.000 0.213 0.000 1.358 545 F CB -0.279 38.849 39.000 0.214 0.000 1.040 545 F HN 0.067 nan 8.300 nan 0.000 0.505 546 A N 0.184 123.158 122.820 0.257 0.000 1.972 546 A HA -0.040 4.272 4.320 -0.014 0.000 0.219 546 A C 2.374 179.992 177.584 0.056 0.000 1.169 546 A CA 1.613 53.739 52.037 0.147 0.000 0.635 546 A CB -1.388 17.761 19.000 0.248 0.000 0.810 546 A HN 0.428 nan 8.150 nan 0.000 0.446 547 A N -1.715 121.159 122.820 0.090 0.000 1.929 547 A HA -0.027 4.285 4.320 -0.014 0.000 0.216 547 A C 2.080 179.689 177.584 0.041 0.000 1.176 547 A CA 1.387 53.465 52.037 0.068 0.000 0.628 547 A CB -0.726 18.328 19.000 0.090 0.000 0.816 547 A HN 0.710 nan 8.150 nan 0.000 0.444 548 Y N 0.563 120.812 120.300 -0.086 0.000 2.181 548 Y HA -0.170 4.372 4.550 -0.013 0.000 0.288 548 Y C 1.918 177.738 175.900 -0.134 0.000 1.146 548 Y CA 1.861 59.895 58.100 -0.111 0.000 1.164 548 Y CB -0.191 38.192 38.460 -0.128 0.000 0.982 548 Y HN 0.214 nan 8.280 nan 0.000 0.515 549 L N -0.032 121.068 121.223 -0.205 0.000 2.083 549 L HA -0.202 4.130 4.340 -0.014 0.000 0.209 549 L C 2.362 179.141 176.870 -0.151 0.000 1.083 549 L CA 1.638 56.362 54.840 -0.193 0.000 0.752 549 L CB -0.502 41.412 42.059 -0.242 0.000 0.899 549 L HN 0.328 nan 8.230 nan 0.000 0.433 550 E N -0.096 120.024 120.200 -0.133 0.000 2.028 550 E HA -0.195 4.147 4.350 -0.014 0.000 0.191 550 E C 2.355 178.870 176.600 -0.142 0.000 0.988 550 E CA 0.969 57.295 56.400 -0.124 0.000 0.799 550 E CB -0.015 29.670 29.700 -0.024 0.000 0.755 550 E HN 0.391 nan 8.360 nan 0.000 0.447 551 R N 0.494 120.902 120.500 -0.153 0.000 2.081 551 R HA -0.144 4.188 4.340 -0.014 0.000 0.235 551 R C 1.915 178.049 176.300 -0.276 0.000 1.131 551 R CA 1.262 57.260 56.100 -0.169 0.000 0.960 551 R CB -0.014 30.207 30.300 -0.131 0.000 0.856 551 R HN 0.027 nan 8.270 nan 0.000 0.436 552 E N -1.819 118.105 120.200 -0.460 0.000 2.389 552 E HA 0.037 4.379 4.350 -0.014 0.000 0.199 552 E C 0.106 176.183 176.600 -0.872 0.000 0.978 552 E CA 0.580 56.550 56.400 -0.718 0.000 0.912 552 E CB 0.592 29.639 29.700 -1.089 0.000 0.907 552 E HN 0.309 nan 8.360 nan 0.000 0.494 553 Y N -0.576 119.568 120.300 -0.260 0.000 2.666 553 Y HA 0.271 4.813 4.550 -0.014 0.000 0.260 553 Y C -0.022 175.779 175.900 -0.165 0.000 1.089 553 Y CA -0.596 57.400 58.100 -0.174 0.000 1.246 553 Y CB 0.889 39.255 38.460 -0.156 0.000 1.353 553 Y HN -0.285 nan 8.280 nan 0.000 0.558 554 K N 0.628 120.968 120.400 -0.100 0.000 3.035 554 K HA -0.139 4.173 4.320 -0.014 0.000 0.262 554 K C -0.425 175.996 176.600 -0.298 0.000 1.024 554 K CA 0.882 57.064 56.287 -0.176 0.000 0.748 554 K CB -2.222 30.215 32.500 -0.105 0.000 1.247 554 K HN 0.283 nan 8.250 nan 0.000 0.482 555 V N -2.307 117.441 119.914 -0.277 0.000 2.581 555 V HA 0.544 4.656 4.120 -0.014 0.000 0.303 555 V C 0.246 176.131 176.094 -0.349 0.000 1.041 555 V CA -0.904 61.221 62.300 -0.291 0.000 0.907 555 V CB 1.742 33.489 31.823 -0.127 0.000 0.994 555 V HN 0.281 nan 8.190 nan 0.000 0.442 556 H N 4.697 123.757 119.070 -0.017 0.000 2.476 556 H HA 0.795 5.343 4.556 -0.014 0.000 0.328 556 H C -0.055 175.263 175.328 -0.016 0.000 1.073 556 H CA -0.348 55.693 56.048 -0.011 0.000 1.229 556 H CB 1.692 31.452 29.762 -0.003 0.000 1.432 556 H HN 0.929 nan 8.280 nan 0.000 0.477 557 I N -0.418 120.225 120.570 0.122 0.000 2.828 557 I HA 0.453 4.615 4.170 -0.014 0.000 0.302 557 I C -0.601 175.600 176.117 0.141 0.000 1.101 557 I CA -1.351 60.003 61.300 0.090 0.000 1.031 557 I CB 2.222 40.237 38.000 0.025 0.000 1.231 557 I HN 0.362 nan 8.210 nan 0.000 0.427 558 N N 4.983 123.768 118.700 0.143 0.000 2.406 558 N HA 0.391 5.123 4.740 -0.014 0.000 0.251 558 N C -2.015 173.644 175.510 0.247 0.000 1.069 558 N CA -2.407 50.734 53.050 0.150 0.000 0.947 558 N CB 1.036 39.582 38.487 0.098 0.000 1.111 558 N HN 0.389 nan 8.380 nan 0.000 0.497 559 P HA 0.050 nan 4.420 nan 0.000 0.234 559 P C -0.020 177.262 177.300 -0.030 0.000 1.167 559 P CA 0.921 64.099 63.100 0.130 0.000 0.763 559 P CB 0.239 31.993 31.700 0.091 0.000 0.835 560 N N -1.083 117.637 118.700 0.034 0.000 2.422 560 N HA -0.017 4.714 4.740 -0.014 0.000 0.181 560 N C 0.483 176.023 175.510 0.050 0.000 1.080 560 N CA 0.014 53.075 53.050 0.018 0.000 0.893 560 N CB -0.038 38.471 38.487 0.036 0.000 0.973 560 N HN 0.142 nan 8.380 nan 0.000 0.456 561 S N 0.243 115.988 115.700 0.075 0.000 2.614 561 S HA 0.152 4.613 4.470 -0.014 0.000 0.265 561 S C 0.091 174.665 174.600 -0.042 0.000 1.303 561 S CA -0.878 57.354 58.200 0.052 0.000 1.000 561 S CB 0.952 64.215 63.200 0.105 0.000 0.935 561 S HN 0.192 nan 8.310 nan 0.000 0.551 562 L N 2.139 123.171 121.223 -0.319 0.000 2.418 562 L HA 0.332 4.664 4.340 -0.014 0.000 0.274 562 L C -0.799 176.054 176.870 -0.027 0.000 1.135 562 L CA -0.419 54.053 54.840 -0.614 0.000 0.870 562 L CB -0.227 41.208 42.059 -1.040 0.000 1.154 562 L HN 0.706 nan 8.230 nan 0.000 0.462 563 F N 4.302 124.120 119.950 -0.219 0.000 2.423 563 F HA 0.100 4.619 4.527 -0.012 0.000 0.356 563 F C 0.438 176.176 175.800 -0.102 0.000 1.170 563 F CA -0.802 57.139 58.000 -0.097 0.000 1.163 563 F CB 0.493 39.484 39.000 -0.016 0.000 1.318 563 F HN 0.516 nan 8.300 nan 0.000 0.569 564 D N 4.913 125.314 120.400 0.001 0.000 2.396 564 D HA 0.251 4.883 4.640 -0.014 0.000 0.225 564 D C -1.017 175.226 176.300 -0.095 0.000 1.121 564 D CA -0.112 53.848 54.000 -0.066 0.000 0.853 564 D CB 1.366 42.113 40.800 -0.088 0.000 1.043 564 D HN 0.269 nan 8.370 nan 0.000 0.500 565 V N 2.260 122.101 119.914 -0.122 0.000 2.656 565 V HA 0.592 4.704 4.120 -0.014 0.000 0.307 565 V C -1.268 174.685 176.094 -0.236 0.000 1.051 565 V CA -0.722 61.488 62.300 -0.149 0.000 0.893 565 V CB 1.854 33.642 31.823 -0.058 0.000 0.999 565 V HN 0.511 nan 8.190 nan 0.000 0.426 566 Q N 4.193 123.868 119.800 -0.209 0.000 2.394 566 Q HA 0.671 5.003 4.340 -0.014 0.000 0.261 566 Q C -1.407 174.432 176.000 -0.268 0.000 1.023 566 Q CA -0.636 55.030 55.803 -0.227 0.000 0.720 566 Q CB 1.902 30.534 28.738 -0.177 0.000 1.241 566 Q HN 1.204 nan 8.270 nan 0.000 0.483 567 V N 1.785 121.526 119.914 -0.287 0.000 2.487 567 V HA 0.876 4.988 4.120 -0.014 0.000 0.298 567 V C -0.917 174.906 176.094 -0.453 0.000 1.028 567 V CA -0.557 61.388 62.300 -0.592 0.000 0.860 567 V CB 1.291 32.530 31.823 -0.972 0.000 0.991 567 V HN 0.827 nan 8.190 nan 0.000 0.427 568 K N 2.519 122.690 120.400 -0.381 0.000 2.960 568 K HA 0.363 4.675 4.320 -0.014 0.000 0.296 568 K C -1.304 175.290 176.600 -0.010 0.000 1.092 568 K CA -1.131 55.115 56.287 -0.068 0.000 0.847 568 K CB 0.871 33.321 32.500 -0.082 0.000 1.458 568 K HN 0.487 nan 8.250 nan 0.000 0.359 569 R N 0.977 121.522 120.500 0.075 0.000 2.698 569 R HA 0.139 4.471 4.340 -0.014 0.000 0.266 569 R C 0.380 176.700 176.300 0.033 0.000 1.026 569 R CA -0.274 55.884 56.100 0.096 0.000 1.102 569 R CB -0.174 30.212 30.300 0.142 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 4.240 124.838 120.570 0.047 0.000 2.436 570 I HA 0.101 4.263 4.170 -0.014 0.000 0.289 570 I C 0.766 176.857 176.117 -0.043 0.000 1.083 570 I CA 0.519 61.799 61.300 -0.034 0.000 1.372 570 I CB -0.457 37.509 38.000 -0.057 0.000 1.408 570 I HN 0.331 nan 8.210 nan 0.000 0.516 571 H N 5.039 123.999 119.070 -0.183 0.000 2.996 571 H HA 0.238 4.786 4.556 -0.013 0.000 0.368 571 H C 0.443 175.644 175.328 -0.213 0.000 1.185 571 H CA -0.384 55.600 56.048 -0.106 0.000 1.160 571 H CB 1.984 31.697 29.762 -0.081 0.000 1.820 571 H HN 0.577 nan 8.280 nan 0.000 0.547 572 E N 1.884 122.121 120.200 0.063 0.000 2.118 572 E HA -0.244 4.097 4.350 -0.014 0.000 0.195 572 E C 1.396 177.791 176.600 -0.343 0.000 0.992 572 E CA 1.887 58.293 56.400 0.010 0.000 0.804 572 E CB -0.076 29.785 29.700 0.269 0.000 0.741 572 E HN 0.580 nan 8.360 nan 0.000 0.458 573 Y N 0.765 120.662 120.300 -0.670 0.000 2.352 573 Y HA -0.052 4.490 4.550 -0.014 0.000 0.292 573 Y C 1.512 177.147 175.900 -0.442 0.000 1.136 573 Y CA 0.919 58.347 58.100 -1.119 0.000 1.227 573 Y CB -0.114 37.723 38.460 -1.037 0.000 0.991 573 Y HN -0.201 nan 8.280 nan 0.000 0.545 574 K N 0.654 120.583 120.400 -0.785 0.000 2.432 574 K HA 0.078 4.390 4.320 -0.014 0.000 0.196 574 K C 0.159 176.583 176.600 -0.293 0.000 1.038 574 K CA 0.504 56.445 56.287 -0.578 0.000 0.986 574 K CB -0.016 32.129 32.500 -0.593 0.000 0.782 574 K HN 0.240 nan 8.250 nan 0.000 0.485 575 R N 0.351 120.711 120.500 -0.234 0.000 3.422 575 R HA -0.233 4.098 4.340 -0.014 0.000 0.267 575 R C 0.284 176.505 176.300 -0.133 0.000 1.074 575 R CA 0.230 56.245 56.100 -0.142 0.000 0.718 575 R CB -1.961 28.273 30.300 -0.110 0.000 1.157 575 R HN 0.297 nan 8.270 nan 0.000 0.440 576 Q N 0.373 120.093 119.800 -0.135 0.000 2.248 576 Q HA -0.090 4.242 4.340 -0.014 0.000 0.208 576 Q C 2.042 177.993 176.000 -0.083 0.000 0.984 576 Q CA 1.585 57.324 55.803 -0.107 0.000 0.875 576 Q CB -0.021 28.657 28.738 -0.100 0.000 0.910 576 Q HN 0.585 nan 8.270 nan 0.000 0.433 577 L N -0.602 120.574 121.223 -0.078 0.000 2.083 577 L HA -0.185 4.147 4.340 -0.014 0.000 0.209 577 L C 2.040 178.907 176.870 -0.005 0.000 1.083 577 L CA 0.547 55.355 54.840 -0.054 0.000 0.752 577 L CB -0.366 41.670 42.059 -0.037 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N 0.049 121.261 121.223 -0.017 0.000 2.056 578 L HA -0.229 4.103 4.340 -0.014 0.000 0.207 578 L C 2.046 178.965 176.870 0.081 0.000 1.078 578 L CA 1.899 56.738 54.840 -0.001 0.000 0.749 578 L CB -0.837 41.116 42.059 -0.177 0.000 0.901 578 L HN 0.275 nan 8.230 nan 0.000 0.433 579 N N -1.581 117.136 118.700 0.028 0.000 2.069 579 N HA -0.251 4.480 4.740 -0.014 0.000 0.191 579 N C 1.956 177.548 175.510 0.138 0.000 1.031 579 N CA 1.726 54.875 53.050 0.164 0.000 0.852 579 N CB -0.155 38.360 38.487 0.047 0.000 1.018 579 N HN 0.502 nan 8.380 nan 0.000 0.423 580 C N 0.585 119.900 119.300 0.025 0.000 2.413 580 C HA -0.099 4.352 4.460 -0.014 0.000 0.276 580 C C 2.606 177.584 174.990 -0.019 0.000 1.248 580 C CA 0.444 59.430 59.018 -0.053 0.000 1.742 580 C CB -1.277 26.379 27.740 -0.140 0.000 2.017 580 C HN 0.506 nan 8.230 nan 0.000 0.481 581 L N -0.430 120.839 121.223 0.076 0.000 2.083 581 L HA -0.200 4.132 4.340 -0.014 0.000 0.209 581 L C 2.752 179.771 176.870 0.249 0.000 1.083 581 L CA 1.811 56.737 54.840 0.145 0.000 0.752 581 L CB -1.061 41.134 42.059 0.226 0.000 0.899 581 L HN 0.592 nan 8.230 nan 0.000 0.433 582 H N -0.020 119.163 119.070 0.189 0.000 2.321 582 H HA -0.135 4.412 4.556 -0.014 0.000 0.300 582 H C 2.256 177.580 175.328 -0.006 0.000 1.087 582 H CA 1.876 57.956 56.048 0.054 0.000 1.319 582 H CB 0.315 30.037 29.762 -0.066 0.000 1.379 582 H HN 0.089 nan 8.280 nan 0.000 0.501 583 V N 1.653 121.490 119.914 -0.128 0.000 2.282 583 V HA -0.293 3.819 4.120 -0.014 0.000 0.249 583 V C 2.832 178.861 176.094 -0.108 0.000 1.057 583 V CA 2.028 64.219 62.300 -0.183 0.000 1.032 583 V CB -0.534 31.226 31.823 -0.105 0.000 0.645 583 V HN 0.398 nan 8.190 nan 0.000 0.447 584 I N -0.240 120.301 120.570 -0.048 0.000 2.286 584 I HA -0.214 3.948 4.170 -0.014 0.000 0.248 584 I C 2.483 178.656 176.117 0.093 0.000 1.115 584 I CA 1.698 63.036 61.300 0.063 0.000 1.392 584 I CB -0.728 37.278 38.000 0.011 0.000 1.065 584 I HN 0.329 nan 8.210 nan 0.000 0.418 585 T N 1.249 115.818 114.554 0.024 0.000 2.708 585 T HA -0.144 4.198 4.350 -0.014 0.000 0.266 585 T C 1.883 176.542 174.700 -0.069 0.000 1.037 585 T CA 1.189 63.296 62.100 0.012 0.000 1.146 585 T CB -0.247 68.662 68.868 0.068 0.000 0.865 585 T HN 0.077 nan 8.240 nan 0.000 0.435 586 L N 0.136 121.250 121.223 -0.182 0.000 2.017 586 L HA -0.019 4.313 4.340 -0.014 0.000 0.208 586 L C 2.110 178.944 176.870 -0.060 0.000 1.073 586 L CA 1.570 56.299 54.840 -0.184 0.000 0.745 586 L CB -1.097 40.779 42.059 -0.305 0.000 0.894 586 L HN 0.359 nan 8.230 nan 0.000 0.432 587 Y N 0.233 120.473 120.300 -0.100 0.000 2.145 587 Y HA -0.287 4.255 4.550 -0.014 0.000 0.286 587 Y C 2.438 178.322 175.900 -0.026 0.000 1.145 587 Y CA 1.842 59.922 58.100 -0.033 0.000 1.148 587 Y CB -0.094 38.392 38.460 0.044 0.000 0.981 587 Y HN 0.279 nan 8.280 nan 0.000 0.507 588 N N 0.423 119.092 118.700 -0.051 0.000 2.166 588 N HA -0.138 4.594 4.740 -0.014 0.000 0.186 588 N C 1.828 177.236 175.510 -0.171 0.000 1.019 588 N CA 1.484 54.444 53.050 -0.150 0.000 0.856 588 N CB -0.348 38.109 38.487 -0.051 0.000 0.993 588 N HN 0.440 nan 8.380 nan 0.000 0.426 589 R N 0.364 120.788 120.500 -0.127 0.000 2.075 589 R HA 0.072 4.404 4.340 -0.014 0.000 0.232 589 R C 2.226 178.444 176.300 -0.137 0.000 1.126 589 R CA 0.767 56.797 56.100 -0.115 0.000 0.963 589 R CB -0.251 29.991 30.300 -0.096 0.000 0.858 589 R HN 0.237 nan 8.270 nan 0.000 0.435 590 I N 0.990 121.459 120.570 -0.169 0.000 2.179 590 I HA -0.275 3.887 4.170 -0.014 0.000 0.242 590 I C 2.100 178.099 176.117 -0.198 0.000 1.088 590 I CA 1.225 62.422 61.300 -0.171 0.000 1.357 590 I CB -0.217 37.684 38.000 -0.165 0.000 1.051 590 I HN 0.016 nan 8.210 nan 0.000 0.409 591 K N 0.842 121.057 120.400 -0.308 0.000 2.280 591 K HA -0.201 4.111 4.320 -0.014 0.000 0.202 591 K C 1.990 178.489 176.600 -0.168 0.000 1.047 591 K CA 1.171 57.290 56.287 -0.281 0.000 0.942 591 K CB -0.252 31.997 32.500 -0.419 0.000 0.739 591 K HN 0.353 nan 8.250 nan 0.000 0.457 592 K N 0.949 121.260 120.400 -0.149 0.000 2.137 592 K HA -0.035 4.277 4.320 -0.014 0.000 0.202 592 K C 0.046 176.599 176.600 -0.077 0.000 1.052 592 K CA 0.815 57.041 56.287 -0.101 0.000 0.961 592 K CB 0.454 32.898 32.500 -0.093 0.000 0.741 592 K HN 0.020 nan 8.250 nan 0.000 0.452 593 E N 0.403 120.556 120.200 -0.079 0.000 3.108 593 E HA 0.120 4.462 4.350 -0.014 0.000 0.228 593 E C -2.337 174.229 176.600 -0.058 0.000 1.176 593 E CA -1.632 54.734 56.400 -0.057 0.000 0.881 593 E CB 1.715 31.388 29.700 -0.045 0.000 1.354 593 E HN 0.122 nan 8.360 nan 0.000 0.400 594 P HA -0.129 nan 4.420 nan 0.000 0.217 594 P C 0.299 177.581 177.300 -0.031 0.000 1.150 594 P CA 1.205 64.272 63.100 -0.054 0.000 0.832 594 P CB 0.207 31.879 31.700 -0.046 0.000 0.787 595 N N -1.213 117.477 118.700 -0.016 0.000 2.322 595 N HA 0.002 4.734 4.740 -0.014 0.000 0.194 595 N C 0.611 176.136 175.510 0.025 0.000 1.126 595 N CA -0.073 52.981 53.050 0.006 0.000 0.845 595 N CB 0.055 38.545 38.487 0.005 0.000 0.976 595 N HN 0.024 nan 8.380 nan 0.000 0.475 596 K N 1.281 121.690 120.400 0.015 0.000 2.143 596 K HA 0.122 4.434 4.320 -0.014 0.000 0.272 596 K C -0.945 175.693 176.600 0.063 0.000 1.001 596 K CA -0.525 55.786 56.287 0.040 0.000 0.915 596 K CB 0.616 33.121 32.500 0.008 0.000 1.047 596 K HN -0.063 nan 8.250 nan 0.000 0.458 597 F N 4.771 124.707 119.950 -0.023 0.000 2.456 597 F HA 0.214 4.733 4.527 -0.014 0.000 0.358 597 F C -0.412 175.373 175.800 -0.025 0.000 1.095 597 F CA -0.184 57.803 58.000 -0.021 0.000 1.216 597 F CB 0.633 39.623 39.000 -0.016 0.000 1.125 597 F HN 0.193 nan 8.300 nan 0.000 0.549 598 V N 4.277 123.632 119.914 -0.933 0.000 2.876 598 V HA 0.548 4.660 4.120 -0.014 0.000 0.312 598 V C -0.705 174.758 176.094 -1.051 0.000 1.085 598 V CA -1.215 60.640 62.300 -0.743 0.000 0.945 598 V CB 1.026 32.628 31.823 -0.367 0.000 1.017 598 V HN 0.575 nan 8.190 nan 0.000 0.428 599 V N 4.837 124.409 119.914 -0.571 0.000 2.493 599 V HA 0.195 4.307 4.120 -0.014 0.000 0.292 599 V C -1.855 174.072 176.094 -0.278 0.000 1.016 599 V CA -0.462 61.649 62.300 -0.316 0.000 1.097 599 V CB 0.429 32.194 31.823 -0.097 0.000 0.947 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.326 nan 4.420 nan 0.000 0.271 600 P C -0.421 176.792 177.300 -0.145 0.000 1.216 600 P CA -0.070 62.941 63.100 -0.149 0.000 0.771 600 P CB 0.537 32.197 31.700 -0.067 0.000 0.864 601 R N 1.285 121.711 120.500 -0.124 0.000 2.686 601 R HA 0.553 4.885 4.340 -0.014 0.000 0.286 601 R C -0.680 175.581 176.300 -0.064 0.000 0.969 601 R CA -0.623 55.407 56.100 -0.116 0.000 0.898 601 R CB 1.905 32.121 30.300 -0.140 0.000 1.183 601 R HN 0.304 nan 8.270 nan 0.000 0.456 602 T N 2.187 116.718 114.554 -0.038 0.000 2.821 602 T HA 0.228 4.570 4.350 -0.014 0.000 0.307 602 T C -0.252 174.360 174.700 -0.146 0.000 1.034 602 T CA -0.466 61.569 62.100 -0.109 0.000 0.953 602 T CB 1.072 69.810 68.868 -0.217 0.000 0.968 602 T HN 0.140 nan 8.240 nan 0.000 0.462 603 V N 5.936 125.775 119.914 -0.126 0.000 2.385 603 V HA 0.405 4.517 4.120 -0.014 0.000 0.269 603 V C 0.086 176.102 176.094 -0.131 0.000 1.043 603 V CA -0.360 61.871 62.300 -0.114 0.000 0.906 603 V CB 0.623 32.395 31.823 -0.085 0.000 0.995 603 V HN 0.854 nan 8.190 nan 0.000 0.467 604 M N 6.639 126.150 119.600 -0.148 0.000 2.243 604 M HA 0.613 5.085 4.480 -0.014 0.000 0.324 604 M C -0.995 175.197 176.300 -0.180 0.000 1.031 604 M CA -0.159 55.043 55.300 -0.162 0.000 0.949 604 M CB 1.987 34.485 32.600 -0.169 0.000 1.615 604 M HN 0.426 nan 8.290 nan 0.000 0.430 605 I N 1.945 122.390 120.570 -0.210 0.000 2.498 605 I HA 0.820 4.982 4.170 -0.014 0.000 0.290 605 I C 0.058 175.845 176.117 -0.551 0.000 1.032 605 I CA -0.639 60.508 61.300 -0.255 0.000 1.073 605 I CB 2.279 40.219 38.000 -0.098 0.000 1.251 605 I HN 0.793 nan 8.210 nan 0.000 0.426 606 G N 2.951 111.395 108.800 -0.595 0.000 2.690 606 G HA2 0.846 4.798 3.960 -0.014 0.000 0.293 606 G HA3 0.846 4.798 3.960 -0.014 0.000 0.293 606 G C -0.978 173.630 174.900 -0.486 0.000 1.399 606 G CA -0.730 43.872 45.100 -0.831 0.000 0.890 606 G HN 1.000 nan 8.290 nan 0.000 0.485 607 G N -0.511 108.157 108.800 -0.220 0.000 2.337 607 G HA2 0.391 4.343 3.960 -0.014 0.000 0.310 607 G HA3 0.391 4.343 3.960 -0.014 0.000 0.310 607 G C -1.312 173.726 174.900 0.230 0.000 1.534 607 G CA -1.022 44.120 45.100 0.069 0.000 0.982 607 G HN 0.605 nan 8.290 nan 0.000 0.672 608 K N -0.156 120.374 120.400 0.217 0.000 2.110 608 K HA 0.765 5.077 4.320 -0.014 0.000 0.263 608 K C 0.241 176.983 176.600 0.238 0.000 0.975 608 K CA -0.208 56.226 56.287 0.245 0.000 0.895 608 K CB 2.081 34.630 32.500 0.082 0.000 1.060 608 K HN 0.898 nan 8.250 nan 0.000 0.448 609 A N 1.330 124.321 122.820 0.286 0.000 2.324 609 A HA 0.649 4.961 4.320 -0.014 0.000 0.330 609 A C -0.501 177.277 177.584 0.324 0.000 1.165 609 A CA -0.733 51.422 52.037 0.197 0.000 0.813 609 A CB 1.061 20.086 19.000 0.041 0.000 1.197 609 A HN 0.773 nan 8.150 nan 0.000 0.484 610 A N 3.303 126.300 122.820 0.296 0.000 2.520 610 A HA 0.479 4.791 4.320 -0.014 0.000 0.245 610 A C -1.412 176.260 177.584 0.146 0.000 1.072 610 A CA -0.857 51.348 52.037 0.281 0.000 0.761 610 A CB -0.374 18.777 19.000 0.252 0.000 1.004 610 A HN 0.590 nan 8.150 nan 0.000 0.499 611 P HA -0.146 nan 4.420 nan 0.000 0.217 611 P C 1.202 178.492 177.300 -0.016 0.000 1.148 611 P CA 2.013 65.053 63.100 -0.100 0.000 0.834 611 P CB 0.230 31.818 31.700 -0.186 0.000 0.783 612 G N -3.124 105.692 108.800 0.027 0.000 3.337 612 G HA2 -0.028 3.924 3.960 -0.014 0.000 0.246 612 G HA3 -0.028 3.924 3.960 -0.014 0.000 0.246 612 G C -0.412 174.524 174.900 0.059 0.000 1.131 612 G CA -0.097 45.021 45.100 0.029 0.000 0.773 612 G HN 0.299 nan 8.290 nan 0.000 0.544 613 Y N 1.554 121.805 120.300 -0.081 0.000 2.676 613 Y HA 0.222 4.764 4.550 -0.014 0.000 0.338 613 Y C 1.563 177.445 175.900 -0.030 0.000 1.057 613 Y CA -1.079 56.949 58.100 -0.120 0.000 1.314 613 Y CB 0.199 38.562 38.460 -0.162 0.000 1.164 613 Y HN 0.311 nan 8.280 nan 0.000 0.509 614 H N 4.215 123.405 119.070 0.200 0.000 2.290 614 H HA -0.213 4.335 4.556 -0.013 0.000 0.298 614 H C 1.800 177.167 175.328 0.064 0.000 1.087 614 H CA 2.334 58.444 56.048 0.104 0.000 1.291 614 H CB 0.375 30.189 29.762 0.085 0.000 1.369 614 H HN 0.735 nan 8.280 nan 0.000 0.492 615 M N 1.079 120.702 119.600 0.038 0.000 2.108 615 M HA -0.104 4.367 4.480 -0.014 0.000 0.261 615 M C 2.561 178.651 176.300 -0.350 0.000 1.066 615 M CA 1.902 57.136 55.300 -0.110 0.000 1.107 615 M CB -0.755 31.907 32.600 0.103 0.000 1.356 615 M HN 0.346 nan 8.290 nan 0.000 0.406 616 A N -0.445 121.934 122.820 -0.736 0.000 1.933 616 A HA -0.197 4.115 4.320 -0.014 0.000 0.218 616 A C 2.202 179.579 177.584 -0.344 0.000 1.175 616 A CA 1.885 53.487 52.037 -0.724 0.000 0.628 616 A CB -0.666 17.639 19.000 -1.159 0.000 0.814 616 A HN 0.586 nan 8.150 nan 0.000 0.444 617 K N -1.170 119.083 120.400 -0.245 0.000 2.097 617 K HA -0.062 4.250 4.320 -0.014 0.000 0.205 617 K C 1.936 178.479 176.600 -0.094 0.000 1.050 617 K CA 1.280 57.506 56.287 -0.101 0.000 0.938 617 K CB -0.225 32.275 32.500 0.000 0.000 0.718 617 K HN 0.349 nan 8.250 nan 0.000 0.442 618 M N 0.532 120.031 119.600 -0.168 0.000 2.229 618 M HA -0.079 4.393 4.480 -0.014 0.000 0.264 618 M C 2.107 178.339 176.300 -0.114 0.000 1.063 618 M CA 1.362 56.602 55.300 -0.099 0.000 1.114 618 M CB -0.635 31.891 32.600 -0.123 0.000 1.387 618 M HN 0.122 nan 8.290 nan 0.000 0.420 619 I N -0.164 120.302 120.570 -0.174 0.000 2.226 619 I HA -0.302 3.860 4.170 -0.014 0.000 0.245 619 I C 2.267 178.251 176.117 -0.222 0.000 1.100 619 I CA 1.061 62.248 61.300 -0.189 0.000 1.374 619 I CB -0.318 37.571 38.000 -0.185 0.000 1.057 619 I HN 0.168 nan 8.210 nan 0.000 0.413 620 I N 0.664 121.081 120.570 -0.254 0.000 2.163 620 I HA -0.318 3.844 4.170 -0.014 0.000 0.243 620 I C 2.608 178.439 176.117 -0.476 0.000 1.085 620 I CA 1.309 62.355 61.300 -0.425 0.000 1.347 620 I CB -0.347 37.367 38.000 -0.476 0.000 1.044 620 I HN 0.150 nan 8.210 nan 0.000 0.408 621 K N 1.497 121.635 120.400 -0.437 0.000 2.063 621 K HA -0.162 4.150 4.320 -0.014 0.000 0.208 621 K C 2.045 178.483 176.600 -0.269 0.000 1.048 621 K CA 1.529 57.486 56.287 -0.549 0.000 0.928 621 K CB -0.601 31.306 32.500 -0.989 0.000 0.713 621 K HN 0.232 nan 8.250 nan 0.000 0.442 622 L N 0.348 121.434 121.223 -0.228 0.000 2.012 622 L HA -0.197 4.134 4.340 -0.014 0.000 0.210 622 L C 2.217 178.851 176.870 -0.394 0.000 1.073 622 L CA 1.812 56.344 54.840 -0.513 0.000 0.748 622 L CB -0.310 41.369 42.059 -0.633 0.000 0.891 622 L HN 0.276 nan 8.230 nan 0.000 0.431 623 I N -0.271 120.122 120.570 -0.295 0.000 2.163 623 I HA -0.336 3.826 4.170 -0.014 0.000 0.243 623 I C 2.639 178.659 176.117 -0.161 0.000 1.085 623 I CA 1.936 63.120 61.300 -0.195 0.000 1.347 623 I CB -0.559 37.406 38.000 -0.058 0.000 1.044 623 I HN 0.434 nan 8.210 nan 0.000 0.408 624 T N -0.866 113.564 114.554 -0.205 0.000 2.821 624 T HA -0.078 4.264 4.350 -0.014 0.000 0.267 624 T C 1.984 176.623 174.700 -0.102 0.000 1.046 624 T CA 0.948 62.958 62.100 -0.151 0.000 1.139 624 T CB -0.492 68.242 68.868 -0.223 0.000 0.871 624 T HN 0.335 nan 8.240 nan 0.000 0.454 625 A N 1.447 124.201 122.820 -0.109 0.000 1.930 625 A HA 0.147 4.459 4.320 -0.014 0.000 0.217 625 A C 2.369 179.980 177.584 0.044 0.000 1.175 625 A CA 1.259 53.299 52.037 0.006 0.000 0.627 625 A CB -0.815 18.277 19.000 0.153 0.000 0.815 625 A HN 0.588 nan 8.150 nan 0.000 0.443 626 I N -0.265 120.237 120.570 -0.113 0.000 2.179 626 I HA -0.200 3.961 4.170 -0.014 0.000 0.242 626 I C 2.729 178.821 176.117 -0.043 0.000 1.088 626 I CA 1.151 62.376 61.300 -0.125 0.000 1.357 626 I CB -0.631 37.166 38.000 -0.338 0.000 1.051 626 I HN 0.385 nan 8.210 nan 0.000 0.409 627 G N 0.481 109.245 108.800 -0.060 0.000 2.440 627 G HA2 -0.276 3.675 3.960 -0.014 0.000 0.218 627 G HA3 -0.276 3.675 3.960 -0.014 0.000 0.218 627 G C 1.260 176.168 174.900 0.014 0.000 1.154 627 G CA 1.123 46.198 45.100 -0.042 0.000 0.767 627 G HN 0.293 nan 8.290 nan 0.000 0.552 628 D N -0.071 120.369 120.400 0.067 0.000 2.182 628 D HA -0.074 4.558 4.640 -0.014 0.000 0.201 628 D C 2.657 179.060 176.300 0.171 0.000 0.986 628 D CA 0.623 54.717 54.000 0.158 0.000 0.847 628 D CB -0.119 40.721 40.800 0.065 0.000 0.942 628 D HN 0.267 nan 8.370 nan 0.000 0.467 629 V N 0.029 119.977 119.914 0.057 0.000 2.374 629 V HA -0.115 3.997 4.120 -0.014 0.000 0.241 629 V C 2.545 178.586 176.094 -0.087 0.000 1.034 629 V CA 0.675 62.945 62.300 -0.049 0.000 1.037 629 V CB -0.127 31.605 31.823 -0.150 0.000 0.682 629 V HN 0.021 nan 8.190 nan 0.000 0.463 630 V N 0.888 120.703 119.914 -0.165 0.000 2.358 630 V HA -0.176 3.936 4.120 -0.014 0.000 0.246 630 V C 2.151 178.206 176.094 -0.065 0.000 1.047 630 V CA 1.924 64.113 62.300 -0.184 0.000 1.035 630 V CB -0.820 30.889 31.823 -0.189 0.000 0.658 630 V HN 0.552 nan 8.190 nan 0.000 0.452 631 N N -0.255 118.359 118.700 -0.143 0.000 2.512 631 N HA -0.086 4.646 4.740 -0.014 0.000 0.183 631 N C 1.201 176.447 175.510 -0.441 0.000 1.073 631 N CA 0.925 53.794 53.050 -0.302 0.000 0.911 631 N CB -0.257 37.979 38.487 -0.419 0.000 0.964 631 N HN 0.683 nan 8.380 nan 0.000 0.447 632 H N -1.564 117.512 119.070 0.011 0.000 2.674 632 H HA 0.211 4.759 4.556 -0.013 0.000 0.274 632 H C -0.526 174.820 175.328 0.030 0.000 1.121 632 H CA -0.497 55.561 56.048 0.015 0.000 1.132 632 H CB 0.598 30.359 29.762 -0.002 0.000 1.606 632 H HN -0.018 nan 8.280 nan 0.000 0.558 633 D N 1.753 122.228 120.400 0.125 0.000 2.316 633 D HA 0.041 4.673 4.640 -0.014 0.000 0.245 633 D C -1.619 174.739 176.300 0.096 0.000 1.171 633 D CA -2.017 52.068 54.000 0.142 0.000 0.856 633 D CB 1.698 42.659 40.800 0.268 0.000 1.090 633 D HN 0.107 nan 8.370 nan 0.000 0.476 634 P HA -0.102 nan 4.420 nan 0.000 0.220 634 P C 1.529 178.850 177.300 0.034 0.000 1.148 634 P CA 0.350 63.477 63.100 0.046 0.000 0.803 634 P CB 0.430 32.152 31.700 0.037 0.000 0.782 635 V N -0.648 119.286 119.914 0.034 0.000 2.515 635 V HA -0.158 3.953 4.120 -0.014 0.000 0.250 635 V C 2.429 178.526 176.094 0.004 0.000 1.058 635 V CA 1.454 63.759 62.300 0.009 0.000 1.064 635 V CB -1.037 30.780 31.823 -0.010 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.059 119.875 119.914 0.033 0.000 2.358 636 V HA 0.090 4.202 4.120 -0.014 0.000 0.246 636 V C 1.846 177.947 176.094 0.010 0.000 1.047 636 V CA 1.680 63.999 62.300 0.031 0.000 1.035 636 V CB -1.220 30.668 31.823 0.108 0.000 0.658 636 V HN 0.739 nan 8.190 nan 0.000 0.452 637 G N 1.507 110.317 108.800 0.016 0.000 2.536 637 G HA2 -0.358 3.594 3.960 -0.014 0.000 0.280 637 G HA3 -0.358 3.594 3.960 -0.014 0.000 0.280 637 G C 0.322 175.222 174.900 -0.000 0.000 1.152 637 G CA 0.427 45.531 45.100 0.007 0.000 0.970 637 G HN 0.678 nan 8.290 nan 0.000 0.549 638 D N 0.447 120.846 120.400 -0.002 0.000 2.463 638 D HA 0.207 4.839 4.640 -0.014 0.000 0.224 638 D C 1.772 178.064 176.300 -0.014 0.000 1.174 638 D CA -0.001 53.998 54.000 -0.002 0.000 0.829 638 D CB -0.040 40.767 40.800 0.011 0.000 0.993 638 D HN 0.591 nan 8.370 nan 0.000 0.497 639 R N -0.648 119.833 120.500 -0.031 0.000 2.161 639 R HA 0.219 4.551 4.340 -0.014 0.000 0.213 639 R C -0.024 176.233 176.300 -0.071 0.000 1.055 639 R CA 0.242 56.301 56.100 -0.068 0.000 0.996 639 R CB 0.383 30.625 30.300 -0.097 0.000 0.901 639 R HN 0.096 nan 8.270 nan 0.000 0.456 640 L N 0.738 121.936 121.223 -0.042 0.000 2.470 640 L HA 0.399 4.731 4.340 -0.014 0.000 0.268 640 L C -1.525 175.323 176.870 -0.037 0.000 0.964 640 L CA -0.490 54.325 54.840 -0.042 0.000 0.839 640 L CB 1.792 43.840 42.059 -0.018 0.000 1.276 640 L HN -0.175 nan 8.230 nan 0.000 0.403 641 R N 3.883 124.348 120.500 -0.058 0.000 2.628 641 R HA 0.772 5.104 4.340 -0.014 0.000 0.288 641 R C -1.662 174.587 176.300 -0.086 0.000 0.980 641 R CA -0.785 55.272 56.100 -0.072 0.000 0.891 641 R CB 2.420 32.679 30.300 -0.068 0.000 1.188 641 R HN 0.415 nan 8.270 nan 0.000 0.450 642 V N 4.787 124.649 119.914 -0.087 0.000 2.407 642 V HA 0.489 4.601 4.120 -0.014 0.000 0.291 642 V C -0.308 175.746 176.094 -0.068 0.000 1.018 642 V CA -0.728 61.522 62.300 -0.082 0.000 0.842 642 V CB 1.608 33.381 31.823 -0.083 0.000 0.996 642 V HN 0.543 nan 8.190 nan 0.000 0.426 643 I N 4.794 125.322 120.570 -0.070 0.000 2.465 643 I HA 0.439 4.601 4.170 -0.014 0.000 0.291 643 I C -0.622 175.480 176.117 -0.024 0.000 1.014 643 I CA -0.347 60.921 61.300 -0.053 0.000 1.093 643 I CB 1.915 39.859 38.000 -0.093 0.000 1.267 643 I HN 0.557 nan 8.210 nan 0.000 0.431 644 F N 7.099 126.983 119.950 -0.110 0.000 2.404 644 F HA 0.434 4.953 4.527 -0.013 0.000 0.358 644 F C -0.420 175.313 175.800 -0.113 0.000 1.120 644 F CA -0.617 57.319 58.000 -0.106 0.000 1.144 644 F CB 0.586 39.528 39.000 -0.097 0.000 1.133 644 F HN 0.171 nan 8.300 nan 0.000 0.495 645 L N 6.161 126.994 121.223 -0.650 0.000 2.407 645 L HA 0.135 4.467 4.340 -0.014 0.000 0.282 645 L C 0.268 176.866 176.870 -0.453 0.000 1.110 645 L CA 0.176 54.746 54.840 -0.450 0.000 0.863 645 L CB -0.063 41.812 42.059 -0.306 0.000 1.207 645 L HN 0.605 nan 8.230 nan 0.000 0.454 646 E N 3.289 123.365 120.200 -0.207 0.000 2.384 646 E HA -0.028 4.314 4.350 -0.014 0.000 0.266 646 E C 0.600 177.252 176.600 0.085 0.000 1.012 646 E CA -0.052 56.371 56.400 0.039 0.000 0.901 646 E CB 0.261 29.969 29.700 0.013 0.000 0.967 646 E HN 0.526 nan 8.360 nan 0.000 0.435 647 N N 2.554 121.368 118.700 0.190 0.000 2.740 647 N HA -0.280 4.451 4.740 -0.014 0.000 0.248 647 N C -1.538 174.069 175.510 0.161 0.000 1.062 647 N CA 0.504 53.666 53.050 0.186 0.000 0.704 647 N CB -1.600 37.014 38.487 0.210 0.000 0.968 647 N HN 0.487 nan 8.380 nan 0.000 0.547 648 Y N 1.552 121.862 120.300 0.017 0.000 2.717 648 Y HA 0.161 4.703 4.550 -0.014 0.000 0.330 648 Y C 1.163 177.087 175.900 0.040 0.000 1.217 648 Y CA 0.836 58.935 58.100 -0.001 0.000 1.506 648 Y CB 0.321 38.746 38.460 -0.058 0.000 1.268 648 Y HN 0.380 nan 8.280 nan 0.000 0.561 649 R N 2.281 122.425 120.500 -0.592 0.000 2.756 649 R HA 0.397 4.729 4.340 -0.014 0.000 0.273 649 R C -0.602 175.374 176.300 -0.540 0.000 1.030 649 R CA -0.559 55.303 56.100 -0.395 0.000 0.887 649 R CB 0.231 30.488 30.300 -0.071 0.000 1.274 649 R HN 0.354 nan 8.270 nan 0.000 0.461 650 V N 1.092 120.718 119.914 -0.479 0.000 2.287 650 V HA -0.294 3.818 4.120 -0.014 0.000 0.248 650 V C 2.598 178.560 176.094 -0.221 0.000 1.053 650 V CA 2.855 64.923 62.300 -0.388 0.000 1.027 650 V CB -0.831 30.720 31.823 -0.454 0.000 0.646 650 V HN 0.921 nan 8.190 nan 0.000 0.447 651 S N -0.035 115.560 115.700 -0.175 0.000 2.399 651 S HA -0.183 4.278 4.470 -0.014 0.000 0.231 651 S C 1.932 176.477 174.600 -0.091 0.000 1.022 651 S CA 1.686 59.812 58.200 -0.122 0.000 0.983 651 S CB -0.526 62.633 63.200 -0.069 0.000 0.803 651 S HN 0.384 nan 8.310 nan 0.000 0.480 652 L N 1.923 123.102 121.223 -0.073 0.000 2.109 652 L HA 0.303 4.635 4.340 -0.014 0.000 0.207 652 L C 2.742 179.629 176.870 0.028 0.000 1.086 652 L CA 1.414 56.257 54.840 0.006 0.000 0.760 652 L CB -1.273 40.849 42.059 0.105 0.000 0.910 652 L HN 0.362 nan 8.230 nan 0.000 0.437 653 A N -0.663 122.146 122.820 -0.019 0.000 1.908 653 A HA -0.255 4.057 4.320 -0.014 0.000 0.218 653 A C 2.120 179.770 177.584 0.110 0.000 1.181 653 A CA 1.919 54.025 52.037 0.115 0.000 0.627 653 A CB -0.649 18.405 19.000 0.090 0.000 0.818 653 A HN 0.596 nan 8.150 nan 0.000 0.445 654 E N -0.471 119.771 120.200 0.071 0.000 2.333 654 E HA -0.168 4.174 4.350 -0.014 0.000 0.198 654 E C 1.870 178.439 176.600 -0.051 0.000 1.007 654 E CA 1.192 57.588 56.400 -0.008 0.000 0.845 654 E CB -0.055 29.542 29.700 -0.172 0.000 0.766 654 E HN 0.637 nan 8.360 nan 0.000 0.507 655 K N 0.019 120.374 120.400 -0.074 0.000 2.121 655 K HA 0.030 4.342 4.320 -0.014 0.000 0.203 655 K C 2.160 178.595 176.600 -0.274 0.000 1.041 655 K CA 0.425 56.658 56.287 -0.090 0.000 0.969 655 K CB -0.028 32.431 32.500 -0.069 0.000 0.799 655 K HN -0.053 nan 8.250 nan 0.000 0.456 656 V N 1.965 121.625 119.914 -0.424 0.000 2.488 656 V HA -0.136 3.976 4.120 -0.014 0.000 0.246 656 V C 1.910 177.769 176.094 -0.392 0.000 1.046 656 V CA 1.241 63.057 62.300 -0.806 0.000 1.053 656 V CB -0.177 31.285 31.823 -0.601 0.000 0.679 656 V HN 0.245 nan 8.190 nan 0.000 0.458 657 I N 0.739 121.138 120.570 -0.285 0.000 2.127 657 I HA -0.142 4.020 4.170 -0.014 0.000 0.241 657 I C -0.195 175.816 176.117 -0.176 0.000 1.075 657 I CA 1.728 62.799 61.300 -0.382 0.000 1.334 657 I CB -1.606 36.026 38.000 -0.614 0.000 1.040 657 I HN 0.362 nan 8.210 nan 0.000 0.405 658 P HA -0.135 nan 4.420 nan 0.000 0.221 658 P C 1.027 178.327 177.300 -0.000 0.000 1.145 658 P CA 1.341 64.422 63.100 -0.032 0.000 0.795 658 P CB -0.004 31.685 31.700 -0.018 0.000 0.775 659 A N -1.105 121.698 122.820 -0.028 0.000 2.178 659 A HA 0.423 4.735 4.320 -0.014 0.000 0.211 659 A C 1.243 178.933 177.584 0.176 0.000 1.157 659 A CA 0.250 52.324 52.037 0.063 0.000 0.780 659 A CB -0.715 18.313 19.000 0.046 0.000 0.828 659 A HN 0.213 nan 8.150 nan 0.000 0.476 660 A N -0.057 122.867 122.820 0.172 0.000 2.354 660 A HA 0.467 4.779 4.320 -0.014 0.000 0.269 660 A C 0.341 178.076 177.584 0.253 0.000 1.109 660 A CA -0.150 52.051 52.037 0.274 0.000 0.800 660 A CB 0.344 19.590 19.000 0.409 0.000 1.045 660 A HN 0.268 nan 8.150 nan 0.000 0.489 661 D N 0.385 120.937 120.400 0.254 0.000 2.323 661 D HA 0.123 4.755 4.640 -0.014 0.000 0.218 661 D C 0.019 176.542 176.300 0.371 0.000 0.973 661 D CA 0.759 54.964 54.000 0.342 0.000 0.890 661 D CB 0.314 41.238 40.800 0.206 0.000 1.011 661 D HN 0.358 nan 8.370 nan 0.000 0.499 662 L N 1.060 122.385 121.223 0.170 0.000 2.376 662 L HA 0.290 4.621 4.340 -0.014 0.000 0.275 662 L C -0.891 175.875 176.870 -0.174 0.000 0.987 662 L CA -0.309 54.560 54.840 0.047 0.000 0.828 662 L CB 2.117 44.184 42.059 0.014 0.000 1.249 662 L HN -0.193 nan 8.230 nan 0.000 0.409 663 S N 4.261 119.773 115.700 -0.313 0.000 2.429 663 S HA 0.330 4.792 4.470 -0.014 0.000 0.302 663 S C -0.389 173.965 174.600 -0.411 0.000 1.115 663 S CA -0.657 57.116 58.200 -0.712 0.000 1.095 663 S CB 0.647 63.357 63.200 -0.816 0.000 0.987 663 S HN 0.555 nan 8.310 nan 0.000 0.474 664 E N 4.163 124.129 120.200 -0.391 0.000 2.089 664 E HA 0.204 4.546 4.350 -0.014 0.000 0.284 664 E C -0.537 175.964 176.600 -0.165 0.000 1.023 664 E CA -0.398 55.894 56.400 -0.181 0.000 0.819 664 E CB 0.977 30.597 29.700 -0.134 0.000 1.076 664 E HN 0.606 nan 8.360 nan 0.000 0.396 665 Q N 2.835 122.591 119.800 -0.073 0.000 2.907 665 Q HA 0.275 4.607 4.340 -0.014 0.000 0.262 665 Q C 0.610 176.593 176.000 -0.029 0.000 0.997 665 Q CA -0.140 55.626 55.803 -0.062 0.000 0.797 665 Q CB 0.206 28.916 28.738 -0.046 0.000 1.228 665 Q HN 0.609 nan 8.270 nan 0.000 0.466 666 I N -1.807 118.733 120.570 -0.050 0.000 3.569 666 I HA 0.269 4.430 4.170 -0.014 0.000 0.334 666 I C 0.401 176.464 176.117 -0.091 0.000 1.570 666 I CA -0.705 60.575 61.300 -0.034 0.000 1.082 666 I CB 0.519 38.509 38.000 -0.016 0.000 1.323 666 I HN -0.000 nan 8.210 nan 0.000 0.489 667 S N 0.417 116.063 115.700 -0.090 0.000 2.573 667 S HA 0.172 4.634 4.470 -0.014 0.000 0.277 667 S C 0.580 175.160 174.600 -0.032 0.000 1.346 667 S CA -0.246 57.922 58.200 -0.053 0.000 1.034 667 S CB 0.253 63.472 63.200 0.032 0.000 0.879 667 S HN 0.384 nan 8.310 nan 0.000 0.528 668 T N 2.750 117.321 114.554 0.028 0.000 2.902 668 T HA 0.385 4.727 4.350 -0.014 0.000 0.301 668 T C 0.760 175.473 174.700 0.022 0.000 1.012 668 T CA 0.236 62.362 62.100 0.043 0.000 1.151 668 T CB 0.021 68.989 68.868 0.166 0.000 0.946 668 T HN 1.014 nan 8.240 nan 0.000 0.542 669 A N 2.662 125.464 122.820 -0.030 0.000 2.566 669 A HA 0.450 4.762 4.320 -0.014 0.000 0.245 669 A C 1.630 179.208 177.584 -0.009 0.000 1.056 669 A CA 0.295 52.309 52.037 -0.039 0.000 0.757 669 A CB -0.892 18.072 19.000 -0.059 0.000 0.979 669 A HN 1.737 nan 8.150 nan 0.000 0.508 670 G N 1.376 110.168 108.800 -0.013 0.000 2.176 670 G HA2 -0.226 3.726 3.960 -0.014 0.000 0.232 670 G HA3 -0.226 3.726 3.960 -0.014 0.000 0.232 670 G C 0.790 175.677 174.900 -0.020 0.000 0.986 670 G CA 1.123 46.217 45.100 -0.010 0.000 0.643 670 G HN 1.984 nan 8.290 nan 0.000 0.522 671 T N -2.655 111.883 114.554 -0.028 0.000 3.026 671 T HA 0.407 4.749 4.350 -0.014 0.000 0.245 671 T C 0.734 175.274 174.700 -0.267 0.000 1.004 671 T CA 0.980 62.996 62.100 -0.140 0.000 1.069 671 T CB 0.534 69.369 68.868 -0.054 0.000 1.005 671 T HN 0.256 nan 8.240 nan 0.000 0.472 672 E N 1.729 121.909 120.200 -0.034 0.000 2.070 672 E HA 0.644 4.986 4.350 -0.014 0.000 0.282 672 E C 1.195 177.744 176.600 -0.085 0.000 1.104 672 E CA 0.118 56.539 56.400 0.035 0.000 0.876 672 E CB 0.721 30.499 29.700 0.129 0.000 1.055 672 E HN 0.378 nan 8.360 nan 0.000 0.401 673 A N 3.417 126.111 122.820 -0.210 0.000 1.903 673 A HA -0.231 4.081 4.320 -0.014 0.000 0.219 673 A C 2.002 179.461 177.584 -0.208 0.000 1.191 673 A CA 2.307 54.088 52.037 -0.426 0.000 0.638 673 A CB -0.275 18.231 19.000 -0.823 0.000 0.823 673 A HN 0.608 nan 8.150 nan 0.000 0.451 674 S N -3.898 111.737 115.700 -0.108 0.000 3.770 674 S HA 0.451 4.913 4.470 -0.014 0.000 0.238 674 S C 0.704 175.289 174.600 -0.025 0.000 1.143 674 S CA 1.426 59.606 58.200 -0.033 0.000 0.869 674 S CB -0.116 63.088 63.200 0.007 0.000 1.057 674 S HN 2.288 nan 8.310 nan 0.000 0.507 675 G N 0.397 109.188 108.800 -0.016 0.000 2.721 675 G HA2 -0.055 3.897 3.960 -0.014 0.000 0.686 675 G HA3 -0.055 3.897 3.960 -0.014 0.000 0.686 675 G C 0.250 175.126 174.900 -0.039 0.000 1.236 675 G CA 0.449 45.537 45.100 -0.021 0.000 0.786 675 G HN 1.318 nan 8.290 nan 0.000 0.616 676 T N -1.692 112.826 114.554 -0.060 0.000 3.010 676 T HA 0.380 4.721 4.350 -0.014 0.000 0.253 676 T C 2.412 177.008 174.700 -0.173 0.000 0.939 676 T CA 1.273 63.308 62.100 -0.107 0.000 0.910 676 T CB 0.243 69.041 68.868 -0.117 0.000 1.226 676 T HN 1.901 nan 8.240 nan 0.000 0.508 677 G N 3.227 111.951 108.800 -0.127 0.000 2.440 677 G HA2 -0.309 3.643 3.960 -0.014 0.000 0.218 677 G HA3 -0.309 3.643 3.960 -0.014 0.000 0.218 677 G C 1.469 176.421 174.900 0.088 0.000 1.154 677 G CA 1.285 46.335 45.100 -0.084 0.000 0.767 677 G HN 0.843 nan 8.290 nan 0.000 0.552 678 N N -0.062 118.674 118.700 0.059 0.000 2.060 678 N HA -0.133 4.598 4.740 -0.014 0.000 0.195 678 N C 1.460 176.978 175.510 0.014 0.000 1.028 678 N CA 0.762 53.847 53.050 0.058 0.000 0.861 678 N CB -0.364 38.105 38.487 -0.030 0.000 1.029 678 N HN 0.349 nan 8.380 nan 0.000 0.428 682 M N 0.308 119.987 119.600 0.131 0.000 2.117 682 M HA -0.148 4.324 4.480 -0.014 0.000 0.262 682 M C 1.966 178.311 176.300 0.075 0.000 1.065 682 M CA 1.802 57.145 55.300 0.072 0.000 1.114 682 M CB -0.052 32.594 32.600 0.076 0.000 1.361 682 M HN 0.319 nan 8.290 nan 0.000 0.408 683 L N 0.663 121.931 121.223 0.075 0.000 2.291 683 L HA -0.075 4.257 4.340 -0.014 0.000 0.214 683 L C 1.307 178.218 176.870 0.067 0.000 1.120 683 L CA 1.583 56.474 54.840 0.086 0.000 0.799 683 L CB -0.539 41.580 42.059 0.101 0.000 0.925 683 L HN 0.345 nan 8.230 nan 0.000 0.446 684 N N -0.362 118.368 118.700 0.050 0.000 2.214 684 N HA 0.179 4.911 4.740 -0.014 0.000 0.214 684 N C 0.799 176.341 175.510 0.053 0.000 1.132 684 N CA 0.780 53.855 53.050 0.041 0.000 0.856 684 N CB 0.646 39.136 38.487 0.006 0.000 1.020 684 N HN 0.374 nan 8.380 nan 0.000 0.509 685 G N 0.651 109.484 108.800 0.056 0.000 2.142 685 G HA2 -0.188 3.764 3.960 -0.014 0.000 0.225 685 G HA3 -0.188 3.764 3.960 -0.014 0.000 0.225 685 G C -0.048 174.910 174.900 0.097 0.000 1.015 685 G CA 0.120 45.251 45.100 0.052 0.000 0.716 685 G HN 0.505 nan 8.290 nan 0.000 0.508 686 A N -0.266 122.620 122.820 0.110 0.000 2.325 686 A HA 0.882 5.194 4.320 -0.014 0.000 0.333 686 A C 0.417 177.984 177.584 -0.027 0.000 1.155 686 A CA -0.628 51.490 52.037 0.135 0.000 0.814 686 A CB 1.034 20.180 19.000 0.243 0.000 1.206 686 A HN 0.710 nan 8.150 nan 0.000 0.482 687 L N 0.825 121.994 121.223 -0.089 0.000 2.421 687 L HA 0.444 4.776 4.340 -0.014 0.000 0.263 687 L C 0.194 176.948 176.870 -0.194 0.000 1.122 687 L CA -0.331 54.352 54.840 -0.262 0.000 0.804 687 L CB 1.479 43.302 42.059 -0.393 0.000 1.150 687 L HN 0.684 nan 8.230 nan 0.000 0.457 688 T N 2.682 117.030 114.554 -0.343 0.000 2.779 688 T HA 0.439 4.781 4.350 -0.014 0.000 0.280 688 T C -0.366 174.351 174.700 0.027 0.000 0.987 688 T CA -0.252 61.704 62.100 -0.240 0.000 0.966 688 T CB 1.377 70.018 68.868 -0.379 0.000 0.933 688 T HN 0.335 nan 8.240 nan 0.000 0.442 689 I N 3.201 123.822 120.570 0.085 0.000 2.321 689 I HA 0.692 4.854 4.170 -0.014 0.000 0.291 689 I C 0.180 176.474 176.117 0.295 0.000 0.998 689 I CA 0.166 61.608 61.300 0.236 0.000 1.227 689 I CB 0.278 38.343 38.000 0.108 0.000 1.368 689 I HN 0.773 nan 8.210 nan 0.000 0.466 690 G N 3.978 113.005 108.800 0.379 0.000 2.646 690 G HA2 0.435 4.387 3.960 -0.014 0.000 0.291 690 G HA3 0.435 4.387 3.960 -0.014 0.000 0.291 690 G C -0.862 173.940 174.900 -0.163 0.000 1.445 690 G CA -0.456 44.744 45.100 0.167 0.000 0.814 690 G HN 0.587 nan 8.290 nan 0.000 0.495 691 T N -1.070 113.257 114.554 -0.379 0.000 2.849 691 T HA 0.468 4.810 4.350 -0.014 0.000 0.284 691 T C 0.831 175.400 174.700 -0.218 0.000 1.004 691 T CA -0.627 61.187 62.100 -0.476 0.000 1.021 691 T CB 1.028 69.641 68.868 -0.426 0.000 1.013 691 T HN 0.268 nan 8.240 nan 0.000 0.527 692 M N 2.905 122.392 119.600 -0.188 0.000 3.442 692 M HA 0.296 4.768 4.480 -0.014 0.000 0.232 692 M C -0.407 175.836 176.300 -0.095 0.000 1.508 692 M CA 0.039 55.268 55.300 -0.119 0.000 1.647 692 M CB -1.796 30.745 32.600 -0.098 0.000 1.126 692 M HN 0.733 nan 8.290 nan 0.000 0.557 693 D N -0.107 120.241 120.400 -0.085 0.000 2.671 693 D HA 0.668 5.300 4.640 -0.014 0.000 0.232 693 D C 0.706 176.980 176.300 -0.043 0.000 1.114 693 D CA 0.728 54.694 54.000 -0.057 0.000 0.858 693 D CB 1.738 42.505 40.800 -0.054 0.000 1.544 693 D HN 0.592 nan 8.370 nan 0.000 0.471 694 G N 1.788 110.573 108.800 -0.025 0.000 2.627 694 G HA2 -0.259 3.693 3.960 -0.014 0.000 0.312 694 G HA3 -0.259 3.693 3.960 -0.014 0.000 0.312 694 G C 1.017 175.906 174.900 -0.018 0.000 1.299 694 G CA 1.155 46.245 45.100 -0.018 0.000 0.989 694 G HN 1.064 nan 8.290 nan 0.000 0.547 695 A N -0.269 122.533 122.820 -0.029 0.000 2.206 695 A HA 0.131 4.443 4.320 -0.014 0.000 0.211 695 A C 2.100 179.614 177.584 -0.116 0.000 1.158 695 A CA 1.717 53.730 52.037 -0.042 0.000 0.761 695 A CB -0.421 18.541 19.000 -0.063 0.000 0.801 695 A HN 0.613 nan 8.150 nan 0.000 0.473 696 N N 0.674 119.312 118.700 -0.103 0.000 2.094 696 N HA -0.167 4.565 4.740 -0.014 0.000 0.191 696 N C 1.630 177.024 175.510 -0.193 0.000 1.023 696 N CA 1.672 54.653 53.050 -0.115 0.000 0.857 696 N CB -0.668 37.787 38.487 -0.053 0.000 1.013 696 N HN 0.291 nan 8.380 nan 0.000 0.426 697 V N 1.287 121.125 119.914 -0.127 0.000 2.287 697 V HA -0.229 3.883 4.120 -0.014 0.000 0.248 697 V C 2.017 178.041 176.094 -0.116 0.000 1.053 697 V CA 1.763 63.990 62.300 -0.121 0.000 1.027 697 V CB -0.518 31.265 31.823 -0.067 0.000 0.646 697 V HN 0.359 nan 8.190 nan 0.000 0.447 698 E N -0.652 119.530 120.200 -0.030 0.000 2.158 698 E HA -0.124 4.218 4.350 -0.014 0.000 0.191 698 E C 2.231 178.931 176.600 0.167 0.000 0.982 698 E CA 1.018 57.475 56.400 0.095 0.000 0.823 698 E CB -0.192 29.652 29.700 0.240 0.000 0.766 698 E HN 0.537 nan 8.360 nan 0.000 0.468 699 M N 0.571 120.161 119.600 -0.018 0.000 2.080 699 M HA -0.183 4.289 4.480 -0.014 0.000 0.260 699 M C 2.515 178.468 176.300 -0.580 0.000 1.068 699 M CA 1.685 56.872 55.300 -0.187 0.000 1.109 699 M CB -0.265 32.132 32.600 -0.338 0.000 1.342 699 M HN 0.147 nan 8.290 nan 0.000 0.405 700 A N -0.222 121.994 122.820 -1.006 0.000 1.933 700 A HA -0.218 4.094 4.320 -0.014 0.000 0.218 700 A C 1.982 179.333 177.584 -0.389 0.000 1.175 700 A CA 1.954 53.368 52.037 -1.038 0.000 0.628 700 A CB -0.819 17.732 19.000 -0.749 0.000 0.814 700 A HN 0.603 nan 8.150 nan 0.000 0.444 701 E N -0.359 119.703 120.200 -0.231 0.000 2.077 701 E HA -0.218 4.124 4.350 -0.014 0.000 0.193 701 E C 1.780 178.345 176.600 -0.058 0.000 0.989 701 E CA 1.289 57.625 56.400 -0.106 0.000 0.800 701 E CB -0.076 29.585 29.700 -0.064 0.000 0.746 701 E HN 0.555 nan 8.360 nan 0.000 0.452 702 E N 0.142 120.332 120.200 -0.017 0.000 2.047 702 E HA -0.134 4.208 4.350 -0.014 0.000 0.191 702 E C 1.897 178.523 176.600 0.044 0.000 0.987 702 E CA 1.154 57.572 56.400 0.031 0.000 0.799 702 E CB -0.215 29.555 29.700 0.117 0.000 0.752 702 E HN 0.373 nan 8.360 nan 0.000 0.449 703 A N 0.419 123.276 122.820 0.061 0.000 2.021 703 A HA 0.312 4.624 4.320 -0.014 0.000 0.216 703 A C 1.091 178.712 177.584 0.061 0.000 1.163 703 A CA 1.183 53.290 52.037 0.117 0.000 0.676 703 A CB -0.064 19.120 19.000 0.308 0.000 0.818 703 A HN 0.271 nan 8.150 nan 0.000 0.453 704 G N -0.722 108.079 108.800 0.002 0.000 3.067 704 G HA2 -0.084 3.868 3.960 -0.014 0.000 0.686 704 G HA3 -0.084 3.868 3.960 -0.014 0.000 0.686 704 G C -0.048 174.846 174.900 -0.009 0.000 1.119 704 G CA 0.005 45.098 45.100 -0.012 0.000 0.790 704 G HN 0.237 nan 8.290 nan 0.000 0.605 705 E N 0.898 121.073 120.200 -0.040 0.000 2.204 705 E HA -0.141 4.201 4.350 -0.014 0.000 0.195 705 E C 2.044 178.633 176.600 -0.018 0.000 0.990 705 E CA 1.660 58.041 56.400 -0.032 0.000 0.821 705 E CB 0.090 29.765 29.700 -0.040 0.000 0.750 705 E HN 0.766 nan 8.360 nan 0.000 0.477 706 E N 0.801 120.980 120.200 -0.034 0.000 2.265 706 E HA -0.115 4.227 4.350 -0.014 0.000 0.196 706 E C 1.108 177.623 176.600 -0.141 0.000 0.996 706 E CA 0.733 57.091 56.400 -0.071 0.000 0.832 706 E CB -0.025 29.645 29.700 -0.049 0.000 0.756 706 E HN 0.152 nan 8.360 nan 0.000 0.491 707 N N -0.465 118.187 118.700 -0.080 0.000 2.235 707 N HA 0.134 4.866 4.740 -0.014 0.000 0.209 707 N C -0.859 174.552 175.510 -0.164 0.000 1.122 707 N CA 0.142 53.111 53.050 -0.135 0.000 0.845 707 N CB 0.423 38.895 38.487 -0.025 0.000 1.004 707 N HN 0.041 nan 8.380 nan 0.000 0.499 708 F N -0.458 119.271 119.950 -0.368 0.000 2.577 708 F HA 0.416 4.935 4.527 -0.015 0.000 0.318 708 F C -0.450 175.098 175.800 -0.421 0.000 1.065 708 F CA -1.086 56.723 58.000 -0.318 0.000 0.929 708 F CB 1.218 40.137 39.000 -0.135 0.000 1.237 708 F HN -0.219 nan 8.300 nan 0.000 0.468 709 F N 4.065 124.073 119.950 0.097 0.000 2.359 709 F HA 0.429 4.948 4.527 -0.013 0.000 0.355 709 F C -0.270 175.664 175.800 0.223 0.000 1.132 709 F CA -0.488 57.581 58.000 0.114 0.000 1.246 709 F CB -0.163 38.861 39.000 0.039 0.000 1.569 709 F HN 0.044 nan 8.300 nan 0.000 0.561 710 I N 3.744 124.499 120.570 0.308 0.000 2.428 710 I HA 0.380 4.542 4.170 -0.014 0.000 0.289 710 I C -0.141 176.148 176.117 0.286 0.000 1.019 710 I CA -0.463 60.974 61.300 0.229 0.000 1.351 710 I CB 0.574 38.630 38.000 0.094 0.000 1.412 710 I HN 0.350 nan 8.210 nan 0.000 0.513 711 F N 3.277 123.286 119.950 0.099 0.000 2.685 711 F HA 0.945 5.463 4.527 -0.014 0.000 0.315 711 F C 0.078 175.914 175.800 0.060 0.000 1.126 711 F CA -0.632 57.419 58.000 0.084 0.000 0.950 711 F CB 0.977 40.041 39.000 0.108 0.000 1.360 711 F HN 0.845 nan 8.300 nan 0.000 0.469 712 G N 1.037 109.917 108.800 0.133 0.000 2.728 712 G HA2 -0.082 3.870 3.960 -0.014 0.000 0.294 712 G HA3 -0.082 3.870 3.960 -0.014 0.000 0.294 712 G C -0.889 173.989 174.900 -0.037 0.000 1.342 712 G CA -0.614 44.504 45.100 0.031 0.000 0.866 712 G HN 0.955 nan 8.290 nan 0.000 0.534 713 M N 0.891 120.477 119.600 -0.023 0.000 2.249 713 M HA 0.234 4.706 4.480 -0.014 0.000 0.340 713 M C 1.221 177.488 176.300 -0.056 0.000 1.166 713 M CA 0.027 55.318 55.300 -0.014 0.000 1.115 713 M CB 0.306 32.907 32.600 0.002 0.000 1.606 713 M HN 0.524 nan 8.290 nan 0.000 0.448 714 R N 1.693 122.173 120.500 -0.033 0.000 2.541 714 R HA 0.263 4.595 4.340 -0.014 0.000 0.263 714 R C 1.230 177.512 176.300 -0.029 0.000 1.112 714 R CA -0.557 55.518 56.100 -0.041 0.000 1.170 714 R CB -0.077 30.206 30.300 -0.029 0.000 1.167 714 R HN 0.575 nan 8.270 nan 0.000 0.582 715 V N 1.483 121.378 119.914 -0.031 0.000 2.324 715 V HA -0.290 3.822 4.120 -0.014 0.000 0.250 715 V C 1.926 178.011 176.094 -0.015 0.000 1.060 715 V CA 2.132 64.418 62.300 -0.024 0.000 1.042 715 V CB -0.511 31.296 31.823 -0.027 0.000 0.650 715 V HN 0.638 nan 8.190 nan 0.000 0.450 716 E N 0.164 120.356 120.200 -0.012 0.000 2.118 716 E HA -0.198 4.144 4.350 -0.014 0.000 0.195 716 E C 1.962 178.567 176.600 0.008 0.000 0.992 716 E CA 1.470 57.868 56.400 -0.003 0.000 0.804 716 E CB -0.363 29.336 29.700 -0.003 0.000 0.741 716 E HN 0.633 nan 8.360 nan 0.000 0.458 717 D N -0.215 120.192 120.400 0.011 0.000 2.144 717 D HA -0.092 4.540 4.640 -0.014 0.000 0.200 717 D C 1.984 178.302 176.300 0.031 0.000 0.978 717 D CA 0.789 54.806 54.000 0.029 0.000 0.833 717 D CB -0.070 40.750 40.800 0.034 0.000 0.961 717 D HN 0.067 nan 8.370 nan 0.000 0.470 718 V N 1.836 121.756 119.914 0.010 0.000 2.295 718 V HA -0.216 3.896 4.120 -0.014 0.000 0.246 718 V C 1.952 178.050 176.094 0.006 0.000 1.049 718 V CA 1.684 63.984 62.300 -0.001 0.000 1.024 718 V CB -0.425 31.387 31.823 -0.018 0.000 0.648 718 V HN 0.016 nan 8.190 nan 0.000 0.447 719 D N 0.005 120.408 120.400 0.005 0.000 2.104 719 D HA -0.167 4.465 4.640 -0.014 0.000 0.194 719 D C 2.409 178.723 176.300 0.022 0.000 0.994 719 D CA 1.336 55.340 54.000 0.007 0.000 0.830 719 D CB -0.298 40.503 40.800 0.001 0.000 0.959 719 D HN 0.346 nan 8.370 nan 0.000 0.452 720 R N 0.028 120.546 120.500 0.030 0.000 2.091 720 R HA -0.044 4.287 4.340 -0.014 0.000 0.238 720 R C 2.483 178.821 176.300 0.063 0.000 1.136 720 R CA 0.577 56.702 56.100 0.043 0.000 0.959 720 R CB -0.360 29.968 30.300 0.046 0.000 0.856 720 R HN 0.211 nan 8.270 nan 0.000 0.437 721 L N 0.478 121.748 121.223 0.078 0.000 2.093 721 L HA -0.185 4.147 4.340 -0.014 0.000 0.208 721 L C 1.450 178.390 176.870 0.116 0.000 1.085 721 L CA 1.281 56.195 54.840 0.124 0.000 0.755 721 L CB -0.232 41.919 42.059 0.154 0.000 0.904 721 L HN 0.222 nan 8.230 nan 0.000 0.435 722 D N -0.462 119.980 120.400 0.070 0.000 2.117 722 D HA -0.206 4.426 4.640 -0.014 0.000 0.197 722 D C 2.212 178.544 176.300 0.053 0.000 0.987 722 D CA 1.123 55.156 54.000 0.055 0.000 0.829 722 D CB -0.008 40.803 40.800 0.019 0.000 0.961 722 D HN 0.417 nan 8.370 nan 0.000 0.460 723 Q N 0.030 119.857 119.800 0.045 0.000 2.084 723 Q HA -0.099 4.232 4.340 -0.014 0.000 0.202 723 Q C 2.270 178.297 176.000 0.045 0.000 0.978 723 Q CA 0.942 56.767 55.803 0.038 0.000 0.844 723 Q CB 0.020 28.776 28.738 0.031 0.000 0.898 723 Q HN 0.136 nan 8.270 nan 0.000 0.426 724 R N -0.244 120.291 120.500 0.058 0.000 2.090 724 R HA -0.008 4.324 4.340 -0.014 0.000 0.228 724 R C -0.111 176.229 176.300 0.067 0.000 1.110 724 R CA 0.943 57.079 56.100 0.060 0.000 0.973 724 R CB 0.174 30.516 30.300 0.070 0.000 0.869 724 R HN 0.288 nan 8.270 nan 0.000 0.440 725 G N -0.227 108.628 108.800 0.092 0.000 3.355 725 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.686 725 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.686 725 G C -1.385 173.611 174.900 0.160 0.000 1.097 725 G CA -0.373 44.791 45.100 0.106 0.000 0.881 725 G HN 0.280 nan 8.290 nan 0.000 0.550 726 Y N 3.668 124.005 120.300 0.062 0.000 2.436 726 Y HA 0.570 5.112 4.550 -0.013 0.000 0.343 726 Y C 0.234 176.194 175.900 0.100 0.000 1.008 726 Y CA -1.034 57.122 58.100 0.094 0.000 1.241 726 Y CB 0.960 39.459 38.460 0.066 0.000 1.153 726 Y HN 0.542 nan 8.280 nan 0.000 0.521 727 N N 5.104 123.606 118.700 -0.330 0.000 2.564 727 N HA 0.287 5.019 4.740 -0.014 0.000 0.248 727 N C 0.244 175.518 175.510 -0.393 0.000 0.986 727 N CA 0.377 53.242 53.050 -0.309 0.000 0.921 727 N CB 1.468 39.885 38.487 -0.116 0.000 1.136 727 N HN 0.874 nan 8.380 nan 0.000 0.509 728 A N 2.988 125.495 122.820 -0.521 0.000 1.969 728 A HA -0.180 4.132 4.320 -0.014 0.000 0.218 728 A C 1.880 179.590 177.584 0.210 0.000 1.169 728 A CA 1.307 53.240 52.037 -0.174 0.000 0.635 728 A CB -0.271 18.522 19.000 -0.346 0.000 0.810 728 A HN 0.698 nan 8.150 nan 0.000 0.445 729 Q N 0.306 120.125 119.800 0.032 0.000 2.135 729 Q HA -0.236 4.096 4.340 -0.014 0.000 0.204 729 Q C 1.873 177.948 176.000 0.126 0.000 0.981 729 Q CA 2.238 58.087 55.803 0.077 0.000 0.856 729 Q CB -0.350 28.386 28.738 -0.004 0.000 0.902 729 Q HN 0.779 nan 8.270 nan 0.000 0.425 730 E N -1.275 118.929 120.200 0.008 0.000 2.070 730 E HA -0.264 4.078 4.350 -0.014 0.000 0.197 730 E C 1.598 178.124 176.600 -0.123 0.000 1.004 730 E CA 1.678 58.005 56.400 -0.120 0.000 0.805 730 E CB -0.283 29.233 29.700 -0.307 0.000 0.744 730 E HN 0.609 nan 8.360 nan 0.000 0.451 731 Y N -1.051 119.317 120.300 0.113 0.000 2.200 731 Y HA -0.221 4.321 4.550 -0.014 0.000 0.290 731 Y C 2.297 178.200 175.900 0.005 0.000 1.137 731 Y CA 1.570 59.724 58.100 0.089 0.000 1.163 731 Y CB -0.752 37.809 38.460 0.168 0.000 0.988 731 Y HN 0.241 nan 8.280 nan 0.000 0.518 732 Y N 1.379 121.719 120.300 0.067 0.000 2.165 732 Y HA -0.298 4.244 4.550 -0.014 0.000 0.286 732 Y C 1.846 177.722 175.900 -0.040 0.000 1.155 732 Y CA 1.926 59.993 58.100 -0.055 0.000 1.164 732 Y CB -0.400 38.086 38.460 0.043 0.000 0.978 732 Y HN 0.092 nan 8.280 nan 0.000 0.513 733 D N -0.405 120.082 120.400 0.144 0.000 2.178 733 D HA -0.099 4.533 4.640 -0.014 0.000 0.202 733 D C 1.832 178.107 176.300 -0.043 0.000 0.974 733 D CA 1.278 55.306 54.000 0.047 0.000 0.841 733 D CB -0.097 40.751 40.800 0.080 0.000 0.953 733 D HN 0.489 nan 8.370 nan 0.000 0.478 734 R N -0.313 120.164 120.500 -0.038 0.000 2.334 734 R HA 0.293 4.625 4.340 -0.014 0.000 0.212 734 R C 0.307 176.590 176.300 -0.029 0.000 0.897 734 R CA 0.048 56.128 56.100 -0.035 0.000 1.056 734 R CB 1.187 31.467 30.300 -0.034 0.000 1.046 734 R HN 0.138 nan 8.270 nan 0.000 0.513 735 I N 2.326 122.862 120.570 -0.056 0.000 2.437 735 I HA 0.228 4.390 4.170 -0.014 0.000 0.279 735 I C -1.955 174.078 176.117 -0.141 0.000 1.028 735 I CA -2.340 58.931 61.300 -0.047 0.000 1.142 735 I CB 2.175 40.186 38.000 0.018 0.000 1.266 735 I HN -0.279 nan 8.210 nan 0.000 0.461 736 P HA -0.131 nan 4.420 nan 0.000 0.217 736 P C 1.171 178.383 177.300 -0.145 0.000 1.150 736 P CA 1.261 64.275 63.100 -0.144 0.000 0.832 736 P CB 0.320 31.966 31.700 -0.090 0.000 0.787 737 E N -0.902 119.250 120.200 -0.081 0.000 2.106 737 E HA -0.152 4.190 4.350 -0.014 0.000 0.192 737 E C 1.845 178.360 176.600 -0.141 0.000 0.984 737 E CA 0.674 57.043 56.400 -0.052 0.000 0.806 737 E CB -0.557 29.180 29.700 0.061 0.000 0.750 737 E HN 0.129 nan 8.360 nan 0.000 0.458 738 L N 1.175 122.233 121.223 -0.277 0.000 2.109 738 L HA -0.115 4.217 4.340 -0.014 0.000 0.207 738 L C 2.379 178.999 176.870 -0.418 0.000 1.086 738 L CA 1.529 56.039 54.840 -0.550 0.000 0.760 738 L CB -0.247 41.332 42.059 -0.800 0.000 0.910 738 L HN -0.090 nan 8.230 nan 0.000 0.437 739 R N -0.810 119.425 120.500 -0.441 0.000 2.083 739 R HA -0.246 4.086 4.340 -0.014 0.000 0.237 739 R C 2.394 178.542 176.300 -0.253 0.000 1.137 739 R CA 2.030 57.793 56.100 -0.562 0.000 0.951 739 R CB -0.382 29.499 30.300 -0.699 0.000 0.851 739 R HN 0.588 nan 8.270 nan 0.000 0.434 740 Q N 0.420 120.102 119.800 -0.196 0.000 2.096 740 Q HA -0.196 4.135 4.340 -0.014 0.000 0.204 740 Q C 2.079 178.033 176.000 -0.078 0.000 0.982 740 Q CA 2.055 57.785 55.803 -0.122 0.000 0.850 740 Q CB -0.117 28.550 28.738 -0.118 0.000 0.901 740 Q HN 0.483 nan 8.270 nan 0.000 0.422 741 I N 0.544 121.066 120.570 -0.080 0.000 2.179 741 I HA -0.290 3.872 4.170 -0.014 0.000 0.242 741 I C 2.130 178.273 176.117 0.043 0.000 1.088 741 I CA 0.655 61.945 61.300 -0.017 0.000 1.357 741 I CB -0.327 37.631 38.000 -0.069 0.000 1.051 741 I HN 0.290 nan 8.210 nan 0.000 0.409 742 I N 0.886 121.485 120.570 0.047 0.000 2.226 742 I HA -0.251 3.911 4.170 -0.014 0.000 0.245 742 I C 2.458 178.677 176.117 0.169 0.000 1.100 742 I CA 1.688 63.082 61.300 0.157 0.000 1.374 742 I CB -1.327 36.861 38.000 0.312 0.000 1.057 742 I HN 0.353 nan 8.210 nan 0.000 0.413 743 E N 0.290 120.572 120.200 0.136 0.000 2.106 743 E HA -0.228 4.114 4.350 -0.014 0.000 0.192 743 E C 2.187 178.851 176.600 0.107 0.000 0.984 743 E CA 0.897 57.367 56.400 0.116 0.000 0.806 743 E CB -0.118 29.621 29.700 0.065 0.000 0.750 743 E HN 0.574 nan 8.360 nan 0.000 0.458 744 Q N 0.471 120.320 119.800 0.081 0.000 2.050 744 Q HA -0.144 4.188 4.340 -0.014 0.000 0.202 744 Q C 2.358 178.548 176.000 0.318 0.000 0.980 744 Q CA 1.055 56.927 55.803 0.115 0.000 0.840 744 Q CB -0.067 28.680 28.738 0.014 0.000 0.898 744 Q HN 0.300 nan 8.270 nan 0.000 0.424 745 L N -0.033 121.376 121.223 0.310 0.000 2.017 745 L HA -0.199 4.133 4.340 -0.014 0.000 0.208 745 L C 2.439 179.493 176.870 0.305 0.000 1.073 745 L CA 1.073 56.109 54.840 0.327 0.000 0.745 745 L CB -0.374 41.788 42.059 0.172 0.000 0.894 745 L HN 0.152 nan 8.230 nan 0.000 0.432 746 S N -0.357 115.476 115.700 0.223 0.000 2.368 746 S HA -0.142 4.320 4.470 -0.014 0.000 0.224 746 S C 2.114 176.816 174.600 0.170 0.000 1.029 746 S CA 1.433 59.743 58.200 0.184 0.000 0.988 746 S CB -0.225 63.063 63.200 0.146 0.000 0.838 746 S HN 0.601 nan 8.310 nan 0.000 0.462 747 S N 0.574 116.377 115.700 0.171 0.000 2.489 747 S HA 0.298 4.760 4.470 -0.014 0.000 0.228 747 S C 1.476 176.169 174.600 0.154 0.000 0.995 747 S CA 0.748 59.034 58.200 0.144 0.000 0.934 747 S CB -0.147 63.130 63.200 0.129 0.000 0.771 747 S HN 0.853 nan 8.310 nan 0.000 0.522 748 G N 0.412 109.337 108.800 0.208 0.000 2.135 748 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.183 748 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.183 748 G C 0.162 175.163 174.900 0.169 0.000 1.004 748 G CA 0.062 45.274 45.100 0.187 0.000 0.677 748 G HN 0.477 nan 8.290 nan 0.000 0.512 749 F N 0.349 120.315 119.950 0.026 0.000 2.161 749 F HA 0.161 4.680 4.527 -0.014 0.000 0.300 749 F C 1.897 177.514 175.800 -0.305 0.000 1.089 749 F CA 2.024 59.917 58.000 -0.179 0.000 1.282 749 F CB -0.034 38.783 39.000 -0.305 0.000 1.010 749 F HN 0.178 nan 8.300 nan 0.000 0.485 750 F N -0.287 119.788 119.950 0.208 0.000 2.693 750 F HA 0.194 4.713 4.527 -0.014 0.000 0.303 750 F C 0.532 176.433 175.800 0.168 0.000 1.097 750 F CA 0.239 58.315 58.000 0.127 0.000 1.330 750 F CB -0.099 38.990 39.000 0.148 0.000 1.067 750 F HN -0.049 nan 8.300 nan 0.000 0.565 751 S N -1.767 114.075 115.700 0.236 0.000 2.488 751 S HA 0.300 4.762 4.470 -0.014 0.000 0.151 751 S C -2.543 172.077 174.600 0.033 0.000 1.401 751 S CA -0.967 57.300 58.200 0.111 0.000 1.221 751 S CB 0.972 64.199 63.200 0.045 0.000 1.407 751 S HN -0.180 nan 8.310 nan 0.000 0.406 752 P HA 0.046 nan 4.420 nan 0.000 0.221 752 P C 0.946 178.237 177.300 -0.015 0.000 1.150 752 P CA 0.899 63.981 63.100 -0.031 0.000 0.800 752 P CB 0.121 31.775 31.700 -0.076 0.000 0.787 753 K N -1.041 119.352 120.400 -0.013 0.000 2.262 753 K HA 0.071 4.383 4.320 -0.014 0.000 0.200 753 K C 0.670 177.268 176.600 -0.004 0.000 1.049 753 K CA 0.682 56.965 56.287 -0.008 0.000 0.979 753 K CB 0.172 32.668 32.500 -0.007 0.000 0.773 753 K HN 0.228 nan 8.250 nan 0.000 0.474 754 Q N 0.136 119.932 119.800 -0.008 0.000 2.798 754 Q HA 0.166 4.498 4.340 -0.014 0.000 0.250 754 Q C -2.373 173.617 176.000 -0.017 0.000 1.006 754 Q CA -1.710 54.084 55.803 -0.016 0.000 0.759 754 Q CB 1.537 30.258 28.738 -0.028 0.000 1.201 754 Q HN -0.077 nan 8.270 nan 0.000 0.486 755 P HA -0.204 nan 4.420 nan 0.000 0.218 755 P C 0.550 177.884 177.300 0.056 0.000 1.148 755 P CA 1.356 64.483 63.100 0.044 0.000 0.822 755 P CB 0.221 31.948 31.700 0.045 0.000 0.784 756 D N -1.202 119.215 120.400 0.028 0.000 2.388 756 D HA 0.006 4.638 4.640 -0.014 0.000 0.221 756 D C 1.544 177.840 176.300 -0.007 0.000 1.133 756 D CA -0.298 53.726 54.000 0.040 0.000 0.831 756 D CB -0.552 40.274 40.800 0.043 0.000 0.962 756 D HN 0.010 nan 8.370 nan 0.000 0.502 757 L N -0.081 121.069 121.223 -0.122 0.000 2.081 757 L HA -0.069 4.263 4.340 -0.014 0.000 0.212 757 L C 1.139 177.794 176.870 -0.359 0.000 1.080 757 L CA 1.702 56.348 54.840 -0.322 0.000 0.754 757 L CB -0.583 41.096 42.059 -0.634 0.000 0.893 757 L HN 0.006 nan 8.230 nan 0.000 0.433 758 F N -0.779 119.225 119.950 0.090 0.000 2.668 758 F HA 0.137 4.656 4.527 -0.013 0.000 0.297 758 F C 1.843 177.690 175.800 0.078 0.000 1.124 758 F CA -0.158 57.883 58.000 0.068 0.000 1.353 758 F CB -0.293 38.732 39.000 0.043 0.000 0.992 758 F HN 0.089 nan 8.300 nan 0.000 0.524 759 K N -0.301 120.214 120.400 0.192 0.000 2.103 759 K HA -0.193 4.119 4.320 -0.014 0.000 0.207 759 K C 0.949 177.644 176.600 0.159 0.000 1.048 759 K CA 2.012 58.394 56.287 0.157 0.000 0.930 759 K CB -0.252 32.318 32.500 0.116 0.000 0.716 759 K HN 0.072 nan 8.250 nan 0.000 0.444 760 D N 1.218 121.726 120.400 0.180 0.000 2.144 760 D HA -0.069 4.563 4.640 -0.014 0.000 0.200 760 D C 2.030 178.425 176.300 0.159 0.000 0.978 760 D CA 1.067 55.184 54.000 0.196 0.000 0.833 760 D CB -0.102 40.857 40.800 0.265 0.000 0.961 760 D HN 0.301 nan 8.370 nan 0.000 0.470 761 I N 0.391 121.054 120.570 0.156 0.000 2.202 761 I HA -0.220 3.942 4.170 -0.014 0.000 0.242 761 I C 2.406 178.548 176.117 0.042 0.000 1.091 761 I CA 0.616 61.970 61.300 0.090 0.000 1.368 761 I CB -0.196 37.857 38.000 0.088 0.000 1.058 761 I HN -0.112 nan 8.210 nan 0.000 0.410 762 V N 1.132 121.095 119.914 0.081 0.000 2.295 762 V HA -0.308 3.804 4.120 -0.014 0.000 0.246 762 V C 2.231 178.315 176.094 -0.017 0.000 1.049 762 V CA 2.395 64.727 62.300 0.053 0.000 1.024 762 V CB -0.983 30.900 31.823 0.100 0.000 0.648 762 V HN 0.470 nan 8.190 nan 0.000 0.447 763 N N -0.140 118.581 118.700 0.036 0.000 2.069 763 N HA -0.217 4.515 4.740 -0.014 0.000 0.191 763 N C 1.860 177.266 175.510 -0.174 0.000 1.031 763 N CA 1.893 54.983 53.050 0.067 0.000 0.852 763 N CB -0.304 38.295 38.487 0.185 0.000 1.018 763 N HN 0.329 nan 8.380 nan 0.000 0.423 764 M N -0.167 119.257 119.600 -0.293 0.000 2.065 764 M HA -0.130 4.342 4.480 -0.014 0.000 0.259 764 M C 1.470 177.492 176.300 -0.463 0.000 1.069 764 M CA 1.372 56.272 55.300 -0.667 0.000 1.110 764 M CB -0.692 31.774 32.600 -0.223 0.000 1.328 764 M HN 0.211 nan 8.290 nan 0.000 0.405 765 L N 0.655 121.689 121.223 -0.314 0.000 2.042 765 L HA -0.220 4.112 4.340 -0.014 0.000 0.210 765 L C 2.463 178.959 176.870 -0.622 0.000 1.076 765 L CA 1.689 56.262 54.840 -0.445 0.000 0.749 765 L CB -1.103 40.760 42.059 -0.327 0.000 0.893 765 L HN 0.362 nan 8.230 nan 0.000 0.432 766 M N -2.121 117.181 119.600 -0.497 0.000 2.334 766 M HA -0.056 4.416 4.480 -0.014 0.000 0.266 766 M C 1.774 177.653 176.300 -0.701 0.000 1.082 766 M CA 1.365 56.290 55.300 -0.627 0.000 1.141 766 M CB -0.706 31.440 32.600 -0.757 0.000 1.380 766 M HN 0.336 nan 8.290 nan 0.000 0.440 767 H N -1.975 116.986 119.070 -0.182 0.000 3.266 767 H HA 0.189 4.737 4.556 -0.013 0.000 0.246 767 H C 0.111 175.462 175.328 0.038 0.000 0.998 767 H CA 0.638 56.654 56.048 -0.055 0.000 1.152 767 H CB 0.301 30.091 29.762 0.046 0.000 1.466 767 H HN 0.561 nan 8.280 nan 0.000 0.481 768 H N -1.262 117.864 119.070 0.093 0.000 2.825 768 H HA 0.283 4.831 4.556 -0.013 0.000 0.226 768 H C -1.169 174.184 175.328 0.042 0.000 1.414 768 H CA -0.611 55.481 56.048 0.073 0.000 1.198 768 H CB 0.022 29.828 29.762 0.073 0.000 2.013 768 H HN -0.133 nan 8.280 nan 0.000 0.530 769 D N 1.475 121.882 120.400 0.012 0.000 2.411 769 D HA 0.130 4.762 4.640 -0.014 0.000 0.225 769 D C 0.901 177.148 176.300 -0.088 0.000 1.156 769 D CA -0.439 53.550 54.000 -0.019 0.000 0.874 769 D CB 0.743 41.513 40.800 -0.049 0.000 1.034 769 D HN 0.488 nan 8.370 nan 0.000 0.502 770 R N 2.299 122.668 120.500 -0.218 0.000 2.193 770 R HA -0.073 4.259 4.340 -0.014 0.000 0.229 770 R C 0.620 176.440 176.300 -0.800 0.000 1.110 770 R CA 0.972 56.725 56.100 -0.580 0.000 0.988 770 R CB 0.070 29.825 30.300 -0.907 0.000 0.871 770 R HN 0.416 nan 8.270 nan 0.000 0.458 771 F N 0.089 119.997 119.950 -0.071 0.000 2.661 771 F HA 0.276 4.795 4.527 -0.013 0.000 0.306 771 F C 0.077 175.758 175.800 -0.197 0.000 1.094 771 F CA -0.641 57.308 58.000 -0.086 0.000 1.254 771 F CB 0.299 39.311 39.000 0.021 0.000 1.040 771 F HN -0.250 nan 8.300 nan 0.000 0.562 772 K N -0.341 119.876 120.400 -0.305 0.000 3.150 772 K HA -0.175 4.137 4.320 -0.014 0.000 0.267 772 K C 0.991 177.490 176.600 -0.169 0.000 1.028 772 K CA 0.209 56.138 56.287 -0.598 0.000 0.753 772 K CB -1.909 30.166 32.500 -0.708 0.000 1.288 772 K HN 0.200 nan 8.250 nan 0.000 0.473 773 V N 0.007 119.904 119.914 -0.028 0.000 2.252 773 V HA -0.313 3.799 4.120 -0.014 0.000 0.249 773 V C 1.954 178.200 176.094 0.254 0.000 1.056 773 V CA 2.469 64.830 62.300 0.102 0.000 1.022 773 V CB -0.510 31.378 31.823 0.109 0.000 0.641 773 V HN 0.487 nan 8.190 nan 0.000 0.445 774 F N 0.146 120.102 119.950 0.010 0.000 2.171 774 F HA -0.203 4.316 4.527 -0.014 0.000 0.300 774 F C 2.504 178.082 175.800 -0.370 0.000 1.090 774 F CA 0.675 58.619 58.000 -0.094 0.000 1.293 774 F CB -0.369 38.598 39.000 -0.056 0.000 1.013 774 F HN 0.199 nan 8.300 nan 0.000 0.486 775 A N -0.561 122.109 122.820 -0.249 0.000 2.019 775 A HA -0.187 4.125 4.320 -0.014 0.000 0.219 775 A C 1.478 179.043 177.584 -0.031 0.000 1.164 775 A CA 1.832 53.632 52.037 -0.395 0.000 0.644 775 A CB -0.434 18.503 19.000 -0.105 0.000 0.805 775 A HN 0.230 nan 8.150 nan 0.000 0.449 776 D N -2.771 117.676 120.400 0.079 0.000 2.369 776 D HA 0.080 4.712 4.640 -0.014 0.000 0.211 776 D C 1.188 177.635 176.300 0.245 0.000 1.077 776 D CA 0.003 54.123 54.000 0.201 0.000 0.842 776 D CB -0.127 40.815 40.800 0.236 0.000 0.947 776 D HN 0.596 nan 8.370 nan 0.000 0.509 777 Y N 2.074 122.435 120.300 0.101 0.000 2.097 777 Y HA -0.220 4.323 4.550 -0.013 0.000 0.282 777 Y C 2.098 178.061 175.900 0.105 0.000 1.152 777 Y CA 1.867 60.035 58.100 0.112 0.000 1.136 777 Y CB 0.188 38.676 38.460 0.047 0.000 0.975 777 Y HN -0.109 nan 8.280 nan 0.000 0.498 778 E N 0.012 120.245 120.200 0.054 0.000 2.038 778 E HA -0.251 4.091 4.350 -0.014 0.000 0.195 778 E C 2.189 178.738 176.600 -0.086 0.000 1.000 778 E CA 1.619 57.989 56.400 -0.051 0.000 0.803 778 E CB -0.194 29.580 29.700 0.123 0.000 0.750 778 E HN 0.628 nan 8.360 nan 0.000 0.448 779 E N -0.246 119.979 120.200 0.043 0.000 2.153 779 E HA -0.202 4.140 4.350 -0.014 0.000 0.194 779 E C 1.925 178.488 176.600 -0.061 0.000 0.988 779 E CA 0.741 57.187 56.400 0.077 0.000 0.811 779 E CB -0.123 29.720 29.700 0.238 0.000 0.746 779 E HN 0.266 nan 8.360 nan 0.000 0.466 780 Y N 1.214 121.283 120.300 -0.386 0.000 2.114 780 Y HA -0.224 4.317 4.550 -0.014 0.000 0.284 780 Y C 2.150 177.633 175.900 -0.696 0.000 1.143 780 Y CA 1.037 58.583 58.100 -0.923 0.000 1.135 780 Y CB -0.540 37.449 38.460 -0.785 0.000 0.980 780 Y HN -0.207 nan 8.280 nan 0.000 0.499 781 V N 0.411 119.943 119.914 -0.637 0.000 2.343 781 V HA -0.301 3.811 4.120 -0.014 0.000 0.247 781 V C 2.360 178.208 176.094 -0.410 0.000 1.051 781 V CA 2.298 64.241 62.300 -0.596 0.000 1.036 781 V CB -0.678 30.822 31.823 -0.539 0.000 0.654 781 V HN 0.212 nan 8.190 nan 0.000 0.451 782 K N -0.509 119.716 120.400 -0.290 0.000 2.032 782 K HA -0.205 4.107 4.320 -0.014 0.000 0.209 782 K C 2.274 178.770 176.600 -0.174 0.000 1.048 782 K CA 1.959 58.144 56.287 -0.170 0.000 0.927 782 K CB -0.929 31.519 32.500 -0.085 0.000 0.712 782 K HN 0.542 nan 8.250 nan 0.000 0.441 783 C N 0.804 119.972 119.300 -0.220 0.000 2.429 783 C HA -0.088 4.364 4.460 -0.014 0.000 0.277 783 C C 2.488 177.287 174.990 -0.319 0.000 1.262 783 C CA 0.746 59.662 59.018 -0.170 0.000 1.733 783 C CB -0.749 26.915 27.740 -0.127 0.000 2.010 783 C HN 0.480 nan 8.230 nan 0.000 0.483 784 Q N 0.441 119.915 119.800 -0.542 0.000 2.181 784 Q HA -0.186 4.146 4.340 -0.014 0.000 0.205 784 Q C 1.979 177.781 176.000 -0.329 0.000 0.980 784 Q CA 1.678 57.131 55.803 -0.583 0.000 0.862 784 Q CB -0.412 27.741 28.738 -0.975 0.000 0.905 784 Q HN 0.761 nan 8.270 nan 0.000 0.429 785 E N 0.148 120.208 120.200 -0.234 0.000 2.106 785 E HA -0.137 4.205 4.350 -0.014 0.000 0.192 785 E C 2.084 178.634 176.600 -0.084 0.000 0.984 785 E CA 0.577 56.902 56.400 -0.126 0.000 0.806 785 E CB -0.004 29.641 29.700 -0.091 0.000 0.750 785 E HN 0.271 nan 8.360 nan 0.000 0.458 786 R N 0.420 120.873 120.500 -0.079 0.000 2.092 786 R HA -0.076 4.256 4.340 -0.014 0.000 0.231 786 R C 2.425 178.709 176.300 -0.027 0.000 1.119 786 R CA 0.876 56.989 56.100 0.022 0.000 0.970 786 R CB -0.325 30.058 30.300 0.138 0.000 0.864 786 R HN 0.065 nan 8.270 nan 0.000 0.440 787 V N 0.734 120.438 119.914 -0.351 0.000 2.295 787 V HA -0.252 3.860 4.120 -0.014 0.000 0.246 787 V C 2.225 178.298 176.094 -0.034 0.000 1.049 787 V CA 2.010 64.022 62.300 -0.480 0.000 1.024 787 V CB -0.432 30.995 31.823 -0.660 0.000 0.648 787 V HN 0.282 nan 8.190 nan 0.000 0.447 788 S N 0.058 115.708 115.700 -0.083 0.000 2.383 788 S HA -0.195 4.267 4.470 -0.014 0.000 0.229 788 S C 2.214 176.863 174.600 0.082 0.000 1.030 788 S CA 1.432 59.618 58.200 -0.023 0.000 1.002 788 S CB -0.530 62.630 63.200 -0.066 0.000 0.829 788 S HN 0.659 nan 8.310 nan 0.000 0.467 789 A N 1.397 124.268 122.820 0.084 0.000 1.883 789 A HA -0.032 4.280 4.320 -0.014 0.000 0.217 789 A C 2.096 179.789 177.584 0.181 0.000 1.186 789 A CA 1.178 53.287 52.037 0.120 0.000 0.624 789 A CB -0.740 18.322 19.000 0.103 0.000 0.822 789 A HN 0.465 nan 8.150 nan 0.000 0.444 790 L N -2.082 119.306 121.223 0.275 0.000 2.141 790 L HA -0.132 4.200 4.340 -0.014 0.000 0.209 790 L C 2.417 179.554 176.870 0.445 0.000 1.094 790 L CA 1.641 56.719 54.840 0.396 0.000 0.763 790 L CB -0.398 42.004 42.059 0.572 0.000 0.908 790 L HN 0.609 nan 8.230 nan 0.000 0.437 791 Y N 0.855 121.267 120.300 0.188 0.000 2.421 791 Y HA -0.233 4.309 4.550 -0.012 0.000 0.292 791 Y C 2.389 178.218 175.900 -0.117 0.000 1.136 791 Y CA 1.454 59.421 58.100 -0.223 0.000 1.255 791 Y CB 0.009 38.128 38.460 -0.569 0.000 0.991 791 Y HN 0.048 nan 8.280 nan 0.000 0.552 792 K N -0.044 120.398 120.400 0.070 0.000 2.362 792 K HA -0.125 4.187 4.320 -0.014 0.000 0.200 792 K C 0.358 176.946 176.600 -0.021 0.000 1.046 792 K CA 0.710 57.022 56.287 0.041 0.000 0.952 792 K CB -0.055 32.508 32.500 0.106 0.000 0.753 792 K HN 0.039 nan 8.250 nan 0.000 0.466 793 N N 0.372 119.073 118.700 0.001 0.000 2.898 793 N HA 0.134 4.866 4.740 -0.014 0.000 0.245 793 N C -2.449 173.059 175.510 -0.003 0.000 1.185 793 N CA -2.077 50.979 53.050 0.009 0.000 0.879 793 N CB 1.188 39.712 38.487 0.062 0.000 1.157 793 N HN -0.177 nan 8.380 nan 0.000 0.503 794 P HA -0.167 nan 4.420 nan 0.000 0.216 794 P C 1.382 178.689 177.300 0.011 0.000 1.153 794 P CA 1.105 64.127 63.100 -0.130 0.000 0.858 794 P CB 0.395 31.995 31.700 -0.166 0.000 0.789 795 R N -0.020 120.488 120.500 0.014 0.000 2.075 795 R HA -0.135 4.197 4.340 -0.014 0.000 0.232 795 R C 1.899 178.238 176.300 0.064 0.000 1.126 795 R CA 1.335 57.455 56.100 0.032 0.000 0.963 795 R CB -0.305 30.006 30.300 0.018 0.000 0.858 795 R HN 0.084 nan 8.270 nan 0.000 0.435 796 E N -0.069 120.180 120.200 0.082 0.000 2.158 796 E HA -0.199 4.143 4.350 -0.014 0.000 0.191 796 E C 1.581 178.256 176.600 0.124 0.000 0.982 796 E CA 0.510 56.962 56.400 0.087 0.000 0.823 796 E CB -0.409 29.341 29.700 0.083 0.000 0.766 796 E HN 0.493 nan 8.360 nan 0.000 0.468 797 W N 2.302 123.598 121.300 -0.007 0.000 2.333 797 W HA -0.220 4.431 4.660 -0.015 0.000 0.316 797 W C 1.665 178.185 176.519 0.001 0.000 1.215 797 W CA 2.263 59.617 57.345 0.014 0.000 1.278 797 W CB -0.499 28.939 29.460 -0.037 0.000 1.154 797 W HN 0.038 nan 8.180 nan 0.000 0.486 798 T N 1.175 115.860 114.554 0.217 0.000 2.788 798 T HA -0.195 4.146 4.350 -0.014 0.000 0.268 798 T C 1.861 176.560 174.700 -0.002 0.000 1.044 798 T CA 1.853 64.008 62.100 0.092 0.000 1.139 798 T CB -0.362 68.548 68.868 0.071 0.000 0.867 798 T HN 0.183 nan 8.240 nan 0.000 0.454 799 R N 0.377 120.885 120.500 0.013 0.000 2.096 799 R HA 0.058 4.390 4.340 -0.014 0.000 0.235 799 R C 2.524 178.806 176.300 -0.030 0.000 1.127 799 R CA 1.289 57.395 56.100 0.011 0.000 0.968 799 R CB -0.353 29.962 30.300 0.026 0.000 0.861 799 R HN 0.373 nan 8.270 nan 0.000 0.440 800 M N 0.458 120.002 119.600 -0.093 0.000 2.175 800 M HA -0.150 4.322 4.480 -0.014 0.000 0.264 800 M C 1.962 178.149 176.300 -0.189 0.000 1.063 800 M CA 1.399 56.602 55.300 -0.163 0.000 1.119 800 M CB 0.142 32.587 32.600 -0.260 0.000 1.377 800 M HN -0.012 nan 8.290 nan 0.000 0.415 801 V N 0.982 120.761 119.914 -0.225 0.000 2.255 801 V HA -0.329 3.783 4.120 -0.014 0.000 0.247 801 V C 2.211 178.268 176.094 -0.062 0.000 1.051 801 V CA 2.175 64.374 62.300 -0.169 0.000 1.018 801 V CB -0.653 31.094 31.823 -0.126 0.000 0.641 801 V HN 0.515 nan 8.190 nan 0.000 0.445 802 I N -0.671 119.888 120.570 -0.018 0.000 2.264 802 I HA -0.264 3.898 4.170 -0.014 0.000 0.248 802 I C 2.701 178.861 176.117 0.072 0.000 1.111 802 I CA 1.584 62.925 61.300 0.068 0.000 1.382 802 I CB -0.438 37.655 38.000 0.154 0.000 1.060 802 I HN 0.200 nan 8.210 nan 0.000 0.418 803 R N 0.430 120.949 120.500 0.032 0.000 2.115 803 R HA -0.106 4.226 4.340 -0.014 0.000 0.230 803 R C 2.048 178.378 176.300 0.051 0.000 1.111 803 R CA 1.106 57.228 56.100 0.036 0.000 0.976 803 R CB -0.361 29.946 30.300 0.011 0.000 0.870 803 R HN 0.536 nan 8.270 nan 0.000 0.445 804 N N 0.620 119.335 118.700 0.024 0.000 2.092 804 N HA -0.099 4.632 4.740 -0.014 0.000 0.189 804 N C 1.966 177.529 175.510 0.090 0.000 1.040 804 N CA 1.174 54.260 53.050 0.059 0.000 0.845 804 N CB -0.070 38.392 38.487 -0.041 0.000 1.017 804 N HN 0.109 nan 8.380 nan 0.000 0.426 805 I N 1.677 122.285 120.570 0.063 0.000 2.194 805 I HA -0.261 3.901 4.170 -0.014 0.000 0.246 805 I C 2.481 178.647 176.117 0.083 0.000 1.093 805 I CA 1.014 62.359 61.300 0.075 0.000 1.355 805 I CB -0.369 37.668 38.000 0.061 0.000 1.046 805 I HN 0.108 nan 8.210 nan 0.000 0.413 806 A N 0.388 123.257 122.820 0.082 0.000 2.019 806 A HA -0.173 4.139 4.320 -0.014 0.000 0.219 806 A C 2.145 179.770 177.584 0.068 0.000 1.164 806 A CA 2.123 54.202 52.037 0.069 0.000 0.644 806 A CB -0.881 18.163 19.000 0.074 0.000 0.805 806 A HN 0.549 nan 8.150 nan 0.000 0.449 807 T N -2.902 111.709 114.554 0.095 0.000 3.134 807 T HA 0.165 4.507 4.350 -0.014 0.000 0.260 807 T C 1.230 176.027 174.700 0.161 0.000 1.027 807 T CA 0.679 62.840 62.100 0.102 0.000 0.913 807 T CB -0.172 68.759 68.868 0.105 0.000 1.046 807 T HN 0.501 nan 8.240 nan 0.000 0.553 808 S N 0.314 116.126 115.700 0.187 0.000 2.603 808 S HA 0.224 4.686 4.470 -0.014 0.000 0.220 808 S C 2.223 176.956 174.600 0.222 0.000 0.967 808 S CA 0.312 58.695 58.200 0.305 0.000 0.920 808 S CB -0.743 62.606 63.200 0.249 0.000 0.773 808 S HN 0.531 nan 8.310 nan 0.000 0.529 809 G N 2.757 111.607 108.800 0.084 0.000 2.513 809 G HA2 -0.327 3.625 3.960 -0.014 0.000 0.219 809 G HA3 -0.327 3.625 3.960 -0.014 0.000 0.219 809 G C 1.315 176.165 174.900 -0.084 0.000 1.160 809 G CA 1.124 46.236 45.100 0.020 0.000 0.767 809 G HN 0.615 nan 8.290 nan 0.000 0.571 810 K N -0.177 120.047 120.400 -0.293 0.000 2.286 810 K HA -0.058 4.254 4.320 -0.014 0.000 0.203 810 K C 1.247 177.531 176.600 -0.527 0.000 1.045 810 K CA 0.891 56.863 56.287 -0.524 0.000 0.935 810 K CB -0.268 31.725 32.500 -0.845 0.000 0.737 810 K HN 0.437 nan 8.250 nan 0.000 0.460 811 F N 0.602 120.584 119.950 0.053 0.000 2.645 811 F HA 0.156 4.675 4.527 -0.014 0.000 0.300 811 F C 0.726 176.571 175.800 0.077 0.000 1.115 811 F CA -0.687 57.350 58.000 0.062 0.000 1.355 811 F CB 0.539 39.572 39.000 0.056 0.000 1.026 811 F HN -0.130 nan 8.300 nan 0.000 0.536 812 S N 0.434 116.225 115.700 0.151 0.000 2.531 812 S HA 0.048 4.510 4.470 -0.014 0.000 0.279 812 S C 1.473 176.159 174.600 0.142 0.000 1.305 812 S CA -0.142 58.139 58.200 0.135 0.000 1.058 812 S CB 0.770 64.018 63.200 0.081 0.000 0.899 812 S HN 0.372 nan 8.310 nan 0.000 0.493 813 S N 3.372 119.181 115.700 0.181 0.000 2.500 813 S HA -0.094 4.368 4.470 -0.014 0.000 0.239 813 S C 0.968 175.625 174.600 0.094 0.000 0.989 813 S CA 0.819 59.147 58.200 0.212 0.000 0.951 813 S CB -0.367 63.036 63.200 0.337 0.000 0.759 813 S HN 0.797 nan 8.310 nan 0.000 0.523 814 D N 1.859 122.299 120.400 0.066 0.000 2.144 814 D HA -0.085 4.547 4.640 -0.014 0.000 0.199 814 D C 2.092 178.399 176.300 0.011 0.000 0.984 814 D CA 0.796 54.812 54.000 0.027 0.000 0.834 814 D CB -0.340 40.473 40.800 0.021 0.000 0.955 814 D HN 0.295 nan 8.370 nan 0.000 0.465 815 R N 0.793 121.302 120.500 0.015 0.000 2.073 815 R HA -0.089 4.243 4.340 -0.014 0.000 0.234 815 R C 1.918 178.212 176.300 -0.009 0.000 1.134 815 R CA 1.451 57.546 56.100 -0.008 0.000 0.952 815 R CB -0.800 29.483 30.300 -0.029 0.000 0.850 815 R HN 0.128 nan 8.270 nan 0.000 0.433 816 T N 2.238 116.811 114.554 0.031 0.000 2.635 816 T HA -0.137 4.205 4.350 -0.014 0.000 0.267 816 T C 1.930 176.635 174.700 0.009 0.000 1.040 816 T CA 1.459 63.594 62.100 0.059 0.000 1.156 816 T CB -0.139 68.847 68.868 0.197 0.000 0.863 816 T HN 0.114 nan 8.240 nan 0.000 0.430 817 I N 1.639 122.140 120.570 -0.116 0.000 2.315 817 I HA -0.077 4.085 4.170 -0.014 0.000 0.248 817 I C 2.935 179.017 176.117 -0.059 0.000 1.117 817 I CA 0.904 62.103 61.300 -0.170 0.000 1.404 817 I CB -1.654 36.238 38.000 -0.179 0.000 1.071 817 I HN 0.197 nan 8.210 nan 0.000 0.419 818 A N 0.347 123.147 122.820 -0.033 0.000 1.908 818 A HA -0.250 4.061 4.320 -0.014 0.000 0.218 818 A C 2.256 179.801 177.584 -0.064 0.000 1.181 818 A CA 1.579 53.602 52.037 -0.023 0.000 0.627 818 A CB -0.586 18.405 19.000 -0.016 0.000 0.818 818 A HN 0.521 nan 8.150 nan 0.000 0.445 819 Q N -1.881 117.860 119.800 -0.097 0.000 2.079 819 Q HA -0.165 4.167 4.340 -0.014 0.000 0.200 819 Q C 1.975 177.804 176.000 -0.284 0.000 0.974 819 Q CA 1.621 57.325 55.803 -0.166 0.000 0.840 819 Q CB -0.332 28.299 28.738 -0.179 0.000 0.898 819 Q HN 0.816 nan 8.270 nan 0.000 0.430 820 Y N 0.757 120.770 120.300 -0.477 0.000 2.114 820 Y HA -0.311 4.231 4.550 -0.014 0.000 0.282 820 Y C 2.511 177.851 175.900 -0.932 0.000 1.165 820 Y CA 1.336 58.891 58.100 -0.909 0.000 1.148 820 Y CB -0.480 37.104 38.460 -1.459 0.000 0.972 820 Y HN 0.168 nan 8.280 nan 0.000 0.504 821 A N 0.264 122.878 122.820 -0.342 0.000 1.865 821 A HA -0.230 4.082 4.320 -0.014 0.000 0.217 821 A C 2.245 179.850 177.584 0.036 0.000 1.191 821 A CA 2.089 54.168 52.037 0.070 0.000 0.623 821 A CB -0.568 18.538 19.000 0.177 0.000 0.826 821 A HN 0.437 nan 8.150 nan 0.000 0.444 822 R N -0.725 119.753 120.500 -0.036 0.000 2.093 822 R HA -0.018 4.314 4.340 -0.014 0.000 0.224 822 R C 1.784 178.063 176.300 -0.035 0.000 1.101 822 R CA 1.431 57.521 56.100 -0.018 0.000 0.979 822 R CB -0.152 30.133 30.300 -0.026 0.000 0.877 822 R HN 0.669 nan 8.270 nan 0.000 0.441 823 E N -0.501 119.638 120.200 -0.102 0.000 2.415 823 E HA 0.102 4.444 4.350 -0.014 0.000 0.197 823 E C 1.434 177.986 176.600 -0.080 0.000 1.007 823 E CA 0.411 56.754 56.400 -0.095 0.000 0.890 823 E CB 0.566 30.181 29.700 -0.141 0.000 0.891 823 E HN 0.285 nan 8.360 nan 0.000 0.496 824 I N -1.026 119.462 120.570 -0.136 0.000 3.739 824 I HA 0.026 4.188 4.170 -0.014 0.000 0.272 824 I C 1.374 177.622 176.117 0.218 0.000 1.167 824 I CA -0.065 61.213 61.300 -0.037 0.000 1.386 824 I CB 0.229 38.069 38.000 -0.266 0.000 1.490 824 I HN 0.100 nan 8.210 nan 0.000 0.452 825 W N 1.563 122.956 121.300 0.155 0.000 2.658 825 W HA 0.317 4.968 4.660 -0.013 0.000 0.263 825 W C 1.459 178.014 176.519 0.059 0.000 1.274 825 W CA 0.829 58.246 57.345 0.120 0.000 1.343 825 W CB -1.090 28.430 29.460 0.100 0.000 1.106 825 W HN 0.318 nan 8.180 nan 0.000 0.615 826 G N 1.244 110.183 108.800 0.231 0.000 2.256 826 G HA2 -0.094 3.858 3.960 -0.014 0.000 0.272 826 G HA3 -0.094 3.858 3.960 -0.014 0.000 0.272 826 G C -0.341 174.631 174.900 0.120 0.000 1.076 826 G CA 0.246 45.423 45.100 0.128 0.000 0.882 826 G HN 0.413 nan 8.290 nan 0.000 0.497 827 V N -4.301 115.703 119.914 0.150 0.000 3.007 827 V HA 0.910 5.022 4.120 -0.014 0.000 0.311 827 V C -0.399 175.755 176.094 0.100 0.000 1.120 827 V CA -1.695 60.675 62.300 0.116 0.000 0.980 827 V CB 2.346 34.245 31.823 0.127 0.000 1.033 827 V HN 0.143 nan 8.190 nan 0.000 0.429 828 E N 3.546 123.787 120.200 0.070 0.000 2.156 828 E HA 0.518 4.860 4.350 -0.014 0.000 0.279 828 E C -2.502 174.135 176.600 0.062 0.000 0.965 828 E CA -1.716 54.719 56.400 0.058 0.000 0.789 828 E CB 1.801 31.526 29.700 0.042 0.000 1.098 828 E HN 0.742 nan 8.360 nan 0.000 0.397 829 P HA 0.079 nan 4.420 nan 0.000 0.272 829 P C -0.484 176.845 177.300 0.049 0.000 1.230 829 P CA -0.295 62.840 63.100 0.058 0.000 0.788 829 P CB 0.845 32.575 31.700 0.050 0.000 0.949 830 S N 0.582 116.313 115.700 0.051 0.000 2.575 830 S HA 0.332 4.794 4.470 -0.014 0.000 0.278 830 S C 0.399 175.025 174.600 0.043 0.000 1.139 830 S CA -0.742 57.486 58.200 0.047 0.000 0.954 830 S CB 1.010 64.245 63.200 0.059 0.000 1.054 830 S HN 0.274 nan 8.310 nan 0.000 0.483 831 R N 2.255 122.775 120.500 0.035 0.000 2.334 831 R HA 0.192 4.524 4.340 -0.014 0.000 0.216 831 R C -0.049 176.263 176.300 0.021 0.000 0.905 831 R CA 0.071 56.190 56.100 0.031 0.000 1.064 831 R CB 0.145 30.463 30.300 0.031 0.000 1.046 831 R HN 0.691 nan 8.270 nan 0.000 0.508 832 Q N 1.110 120.922 119.800 0.019 0.000 2.313 832 Q HA 0.096 4.428 4.340 -0.014 0.000 0.266 832 Q C -0.258 175.736 176.000 -0.010 0.000 0.989 832 Q CA 0.114 55.921 55.803 0.006 0.000 0.890 832 Q CB 0.841 29.587 28.738 0.013 0.000 1.200 832 Q HN -0.205 nan 8.270 nan 0.000 0.396 833 R N 1.543 122.028 120.500 -0.026 0.000 2.643 833 R HA 0.162 4.494 4.340 -0.014 0.000 0.270 833 R C -0.372 175.885 176.300 -0.071 0.000 1.061 833 R CA 0.150 56.221 56.100 -0.048 0.000 1.107 833 R CB 0.324 30.594 30.300 -0.049 0.000 0.999 833 R HN 0.496 nan 8.270 nan 0.000 0.460 834 L N 5.139 126.302 121.223 -0.101 0.000 2.399 834 L HA 0.396 4.728 4.340 -0.014 0.000 0.266 834 L C -1.709 175.098 176.870 -0.106 0.000 1.114 834 L CA -2.141 52.608 54.840 -0.152 0.000 0.804 834 L CB 1.105 43.036 42.059 -0.212 0.000 1.146 834 L HN 0.472 nan 8.230 nan 0.000 0.451 835 P HA 0.028 nan 4.420 nan 0.000 0.265 835 P C -0.495 176.773 177.300 -0.053 0.000 1.193 835 P CA -0.184 62.879 63.100 -0.062 0.000 0.765 835 P CB 0.652 32.321 31.700 -0.052 0.000 0.823 836 A N 0.000 122.798 122.820 -0.037 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486