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 3g2n_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 FNLXXXNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSKFGXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.980 176.000 -0.034 0.000 1.003 12 Q CA 0.000 55.768 55.803 -0.059 0.000 1.022 12 Q CB 0.000 28.697 28.738 -0.068 0.000 1.108 13 I N -0.797 119.759 120.570 -0.024 0.000 2.493 13 I HA 0.570 4.731 4.170 -0.015 0.000 0.298 13 I C 0.818 176.933 176.117 -0.004 0.000 0.998 13 I CA -0.462 60.832 61.300 -0.009 0.000 1.137 13 I CB 2.012 40.012 38.000 -0.001 0.000 1.310 13 I HN 0.084 nan 8.210 nan 0.000 0.445 14 S N 3.469 119.172 115.700 0.005 0.000 2.368 14 S HA -0.143 4.319 4.470 -0.015 0.000 0.225 14 S C 1.793 176.401 174.600 0.013 0.000 1.030 14 S CA 1.918 60.123 58.200 0.008 0.000 0.999 14 S CB -0.422 62.787 63.200 0.015 0.000 0.844 14 S HN 0.760 nan 8.310 nan 0.000 0.459 15 V N 0.033 119.961 119.914 0.024 0.000 2.867 15 V HA 0.059 4.170 4.120 -0.015 0.000 0.260 15 V C 1.825 177.933 176.094 0.024 0.000 1.099 15 V CA 1.438 63.756 62.300 0.031 0.000 1.122 15 V CB -0.978 30.872 31.823 0.045 0.000 0.708 15 V HN 0.361 nan 8.190 nan 0.000 0.490 16 R N 1.281 121.787 120.500 0.009 0.000 2.335 16 R HA 0.433 4.764 4.340 -0.015 0.000 0.223 16 R C 1.100 177.392 176.300 -0.014 0.000 0.940 16 R CA 0.546 56.646 56.100 -0.001 0.000 1.086 16 R CB -0.127 30.167 30.300 -0.009 0.000 1.073 16 R HN 0.786 nan 8.270 nan 0.000 0.504 17 G N 0.580 109.371 108.800 -0.014 0.000 2.757 17 G HA2 -0.217 3.734 3.960 -0.015 0.000 0.638 17 G HA3 -0.217 3.734 3.960 -0.015 0.000 0.638 17 G C -0.845 174.039 174.900 -0.027 0.000 1.344 17 G CA -1.098 43.985 45.100 -0.028 0.000 0.855 17 G HN -0.016 nan 8.290 nan 0.000 0.537 18 L N 0.209 121.414 121.223 -0.030 0.000 2.375 18 L HA 0.682 5.013 4.340 -0.015 0.000 0.271 18 L C 1.225 178.079 176.870 -0.027 0.000 1.107 18 L CA 0.259 55.084 54.840 -0.025 0.000 0.806 18 L CB 0.911 42.957 42.059 -0.022 0.000 1.146 18 L HN 1.574 nan 8.230 nan 0.000 0.447 19 A N 1.925 124.731 122.820 -0.023 0.000 3.056 19 A HA 0.596 4.907 4.320 -0.015 0.000 0.328 19 A C 0.681 178.258 177.584 -0.012 0.000 1.233 19 A CA -0.333 51.692 52.037 -0.020 0.000 0.965 19 A CB -0.351 18.635 19.000 -0.024 0.000 1.123 19 A HN 0.802 nan 8.150 nan 0.000 0.502 20 G N -0.178 108.616 108.800 -0.009 0.000 2.544 20 G HA2 0.352 4.303 3.960 -0.015 0.000 0.242 20 G HA3 0.352 4.303 3.960 -0.015 0.000 0.242 20 G C 0.979 175.882 174.900 0.005 0.000 1.247 20 G CA -0.056 45.043 45.100 -0.002 0.000 0.840 20 G HN 0.438 nan 8.290 nan 0.000 0.578 21 V N 1.328 121.246 119.914 0.007 0.000 2.343 21 V HA -0.144 3.967 4.120 -0.015 0.000 0.247 21 V C 2.694 178.798 176.094 0.017 0.000 1.051 21 V CA 2.317 64.624 62.300 0.011 0.000 1.036 21 V CB -0.570 31.259 31.823 0.010 0.000 0.654 21 V HN 0.787 nan 8.190 nan 0.000 0.451 22 E N 0.354 120.565 120.200 0.018 0.000 2.106 22 E HA -0.153 4.188 4.350 -0.015 0.000 0.192 22 E C 2.084 178.706 176.600 0.036 0.000 0.984 22 E CA 1.094 57.509 56.400 0.026 0.000 0.806 22 E CB -0.179 29.536 29.700 0.024 0.000 0.750 22 E HN 0.548 nan 8.360 nan 0.000 0.458 23 N N -0.572 118.147 118.700 0.031 0.000 2.080 23 N HA -0.121 4.610 4.740 -0.015 0.000 0.189 23 N C 1.768 177.302 175.510 0.039 0.000 1.036 23 N CA 1.290 54.362 53.050 0.037 0.000 0.846 23 N CB -0.494 38.000 38.487 0.011 0.000 1.015 23 N HN 0.024 nan 8.380 nan 0.000 0.423 24 V N 0.966 120.895 119.914 0.025 0.000 2.332 24 V HA -0.222 3.889 4.120 -0.015 0.000 0.248 24 V C 2.098 178.214 176.094 0.037 0.000 1.055 24 V CA 1.911 64.226 62.300 0.025 0.000 1.038 24 V CB -1.038 30.794 31.823 0.016 0.000 0.651 24 V HN 0.378 nan 8.190 nan 0.000 0.450 25 T N -0.607 113.969 114.554 0.038 0.000 2.746 25 T HA -0.214 4.128 4.350 -0.015 0.000 0.267 25 T C 1.917 176.654 174.700 0.061 0.000 1.039 25 T CA 1.741 63.866 62.100 0.042 0.000 1.142 25 T CB -0.182 68.706 68.868 0.033 0.000 0.866 25 T HN 0.488 nan 8.240 nan 0.000 0.444 26 E N 0.983 121.227 120.200 0.074 0.000 2.072 26 E HA 0.011 4.352 4.350 -0.015 0.000 0.191 26 E C 2.043 178.729 176.600 0.143 0.000 0.985 26 E CA 0.805 57.265 56.400 0.100 0.000 0.801 26 E CB -0.486 29.281 29.700 0.110 0.000 0.750 26 E HN 0.430 nan 8.360 nan 0.000 0.452 27 L N 0.195 121.506 121.223 0.147 0.000 2.017 27 L HA -0.192 4.139 4.340 -0.015 0.000 0.208 27 L C 2.458 179.444 176.870 0.193 0.000 1.073 27 L CA 1.518 56.468 54.840 0.184 0.000 0.745 27 L CB -0.359 41.769 42.059 0.116 0.000 0.894 27 L HN 0.074 nan 8.230 nan 0.000 0.432 28 K N 0.464 120.936 120.400 0.120 0.000 2.063 28 K HA -0.235 4.076 4.320 -0.015 0.000 0.208 28 K C 2.127 178.834 176.600 0.178 0.000 1.048 28 K CA 1.911 58.261 56.287 0.105 0.000 0.928 28 K CB -0.099 32.423 32.500 0.037 0.000 0.713 28 K HN 0.338 nan 8.250 nan 0.000 0.442 29 K N 0.225 120.711 120.400 0.143 0.000 2.167 29 K HA -0.031 4.280 4.320 -0.015 0.000 0.203 29 K C 1.593 178.285 176.600 0.153 0.000 1.052 29 K CA 1.298 57.663 56.287 0.130 0.000 0.956 29 K CB 0.008 32.558 32.500 0.084 0.000 0.735 29 K HN -0.018 nan 8.250 nan 0.000 0.451 30 N N 0.292 119.098 118.700 0.177 0.000 2.270 30 N HA -0.110 4.621 4.740 -0.015 0.000 0.181 30 N C 1.544 177.216 175.510 0.271 0.000 1.016 30 N CA 0.935 54.088 53.050 0.171 0.000 0.870 30 N CB -0.220 38.382 38.487 0.192 0.000 0.979 30 N HN 0.215 nan 8.380 nan 0.000 0.431 31 F N 2.600 122.660 119.950 0.183 0.000 2.069 31 F HA -0.126 4.392 4.527 -0.015 0.000 0.298 31 F C 2.059 177.966 175.800 0.178 0.000 1.113 31 F CA 1.352 59.471 58.000 0.198 0.000 1.214 31 F CB -0.167 38.922 39.000 0.148 0.000 0.978 31 F HN -0.022 nan 8.300 nan 0.000 0.474 32 N N 0.399 119.335 118.700 0.393 0.000 2.244 32 N HA -0.182 4.549 4.740 -0.015 0.000 0.183 32 N C 2.030 177.615 175.510 0.126 0.000 1.016 32 N CA 1.087 54.287 53.050 0.250 0.000 0.866 32 N CB -0.516 38.096 38.487 0.208 0.000 0.980 32 N HN 0.377 nan 8.380 nan 0.000 0.430 33 R N 0.316 120.889 120.500 0.123 0.000 2.073 33 R HA -0.114 4.218 4.340 -0.015 0.000 0.234 33 R C 1.828 178.196 176.300 0.113 0.000 1.134 33 R CA 1.528 57.720 56.100 0.153 0.000 0.952 33 R CB -0.216 30.122 30.300 0.063 0.000 0.850 33 R HN 0.376 nan 8.270 nan 0.000 0.433 34 H N -0.346 118.757 119.070 0.055 0.000 2.353 34 H HA -0.132 4.415 4.556 -0.015 0.000 0.300 34 H C 1.899 177.143 175.328 -0.140 0.000 1.090 34 H CA 1.509 57.515 56.048 -0.069 0.000 1.327 34 H CB 0.018 29.691 29.762 -0.147 0.000 1.383 34 H HN 0.127 nan 8.280 nan 0.000 0.508 35 L N 0.043 121.230 121.223 -0.059 0.000 2.042 35 L HA -0.218 4.113 4.340 -0.015 0.000 0.210 35 L C 2.209 179.038 176.870 -0.069 0.000 1.076 35 L CA 1.939 56.716 54.840 -0.105 0.000 0.749 35 L CB -0.480 41.531 42.059 -0.080 0.000 0.893 35 L HN 0.318 nan 8.230 nan 0.000 0.432 36 H N -1.808 117.161 119.070 -0.168 0.000 2.276 36 H HA -0.063 4.484 4.556 -0.015 0.000 0.307 36 H C 1.781 176.887 175.328 -0.370 0.000 1.061 36 H CA 2.263 58.112 56.048 -0.332 0.000 1.336 36 H CB -0.249 29.202 29.762 -0.518 0.000 1.396 36 H HN 0.299 nan 8.280 nan 0.000 0.503 37 F N -0.565 119.350 119.950 -0.058 0.000 2.335 37 F HA 0.016 4.534 4.527 -0.015 0.000 0.296 37 F C 2.534 178.250 175.800 -0.140 0.000 1.091 37 F CA 1.289 59.215 58.000 -0.122 0.000 1.399 37 F CB -0.311 38.655 39.000 -0.056 0.000 1.067 37 F HN 0.172 nan 8.300 nan 0.000 0.520 38 T N -0.185 114.386 114.554 0.027 0.000 2.953 38 T HA 0.082 4.423 4.350 -0.015 0.000 0.247 38 T C 1.976 176.576 174.700 -0.167 0.000 1.029 38 T CA 0.770 62.815 62.100 -0.092 0.000 1.144 38 T CB -0.307 68.455 68.868 -0.177 0.000 0.870 38 T HN 0.093 nan 8.240 nan 0.000 0.446 39 L N 1.219 122.341 121.223 -0.168 0.000 2.446 39 L HA 0.172 4.503 4.340 -0.015 0.000 0.219 39 L C 0.412 177.187 176.870 -0.159 0.000 1.116 39 L CA -0.028 54.709 54.840 -0.172 0.000 0.844 39 L CB -0.057 41.907 42.059 -0.159 0.000 0.970 39 L HN -0.010 nan 8.230 nan 0.000 0.457 40 V N 0.273 120.076 119.914 -0.185 0.000 5.961 40 V HA -0.285 3.826 4.120 -0.015 0.000 0.311 40 V C 0.004 175.986 176.094 -0.187 0.000 0.552 40 V CA 1.093 63.260 62.300 -0.222 0.000 0.641 40 V CB -2.223 29.498 31.823 -0.170 0.000 0.286 40 V HN 0.405 nan 8.190 nan 0.000 0.939 41 K N 0.996 121.291 120.400 -0.175 0.000 2.480 41 K HA 0.733 5.044 4.320 -0.015 0.000 0.258 41 K C -0.542 176.017 176.600 -0.068 0.000 0.990 41 K CA -0.530 55.685 56.287 -0.119 0.000 0.857 41 K CB 2.784 35.210 32.500 -0.124 0.000 1.384 41 K HN 0.489 nan 8.250 nan 0.000 0.446 42 D N -0.391 119.992 120.400 -0.027 0.000 2.423 42 D HA 0.294 4.925 4.640 -0.015 0.000 0.235 42 D C 0.667 176.991 176.300 0.041 0.000 1.011 42 D CA -0.641 53.377 54.000 0.030 0.000 0.963 42 D CB 1.024 41.849 40.800 0.042 0.000 1.349 42 D HN 0.125 nan 8.370 nan 0.000 0.508 43 R N 0.288 120.846 120.500 0.098 0.000 2.211 43 R HA -0.114 4.217 4.340 -0.015 0.000 0.240 43 R C 0.816 177.190 176.300 0.122 0.000 1.144 43 R CA 0.949 57.148 56.100 0.165 0.000 0.992 43 R CB -0.846 29.558 30.300 0.173 0.000 0.869 43 R HN 0.515 nan 8.270 nan 0.000 0.462 44 N N -0.295 118.444 118.700 0.067 0.000 2.457 44 N HA -0.077 4.654 4.740 -0.015 0.000 0.180 44 N C 1.436 176.964 175.510 0.030 0.000 1.050 44 N CA 0.912 53.991 53.050 0.049 0.000 0.906 44 N CB 0.330 38.836 38.487 0.032 0.000 0.968 44 N HN 0.218 nan 8.380 nan 0.000 0.445 45 V N -3.816 116.103 119.914 0.008 0.000 3.477 45 V HA 0.554 4.665 4.120 -0.015 0.000 0.297 45 V C 0.587 176.649 176.094 -0.054 0.000 1.433 45 V CA -0.545 61.745 62.300 -0.016 0.000 1.052 45 V CB -0.391 31.418 31.823 -0.024 0.000 0.895 45 V HN 0.036 nan 8.190 nan 0.000 0.438 46 A N 2.664 125.427 122.820 -0.096 0.000 2.451 46 A HA 0.533 4.844 4.320 -0.015 0.000 0.266 46 A C 0.862 178.289 177.584 -0.261 0.000 1.119 46 A CA 0.739 52.609 52.037 -0.279 0.000 0.786 46 A CB -0.438 18.221 19.000 -0.568 0.000 1.061 46 A HN 0.826 nan 8.150 nan 0.000 0.503 47 T N 1.180 115.614 114.554 -0.200 0.000 2.868 47 T HA 0.380 4.721 4.350 -0.015 0.000 0.292 47 T C -1.836 172.808 174.700 -0.093 0.000 1.028 47 T CA -1.309 60.739 62.100 -0.086 0.000 1.059 47 T CB 0.713 69.562 68.868 -0.032 0.000 0.991 47 T HN 0.326 nan 8.240 nan 0.000 0.531 48 P HA -0.032 nan 4.420 nan 0.000 0.220 48 P C 1.578 178.983 177.300 0.175 0.000 1.148 48 P CA 0.728 63.967 63.100 0.231 0.000 0.803 48 P CB 0.028 31.831 31.700 0.170 0.000 0.782 49 R N 0.282 120.827 120.500 0.075 0.000 2.096 49 R HA -0.138 4.193 4.340 -0.015 0.000 0.235 49 R C 1.629 178.064 176.300 0.225 0.000 1.127 49 R CA 1.740 57.897 56.100 0.095 0.000 0.968 49 R CB -0.706 29.590 30.300 -0.008 0.000 0.861 49 R HN 0.077 nan 8.270 nan 0.000 0.440 50 D N -0.282 120.171 120.400 0.087 0.000 2.123 50 D HA -0.204 4.427 4.640 -0.015 0.000 0.196 50 D C 1.722 178.031 176.300 0.014 0.000 0.992 50 D CA 1.374 55.382 54.000 0.013 0.000 0.833 50 D CB -0.338 40.332 40.800 -0.217 0.000 0.954 50 D HN 0.312 nan 8.370 nan 0.000 0.455 51 Y N 0.099 120.491 120.300 0.154 0.000 2.181 51 Y HA -0.215 4.327 4.550 -0.015 0.000 0.288 51 Y C 2.350 178.375 175.900 0.208 0.000 1.146 51 Y CA 0.469 58.703 58.100 0.224 0.000 1.164 51 Y CB -1.123 37.518 38.460 0.301 0.000 0.982 51 Y HN 0.089 nan 8.280 nan 0.000 0.515 52 Y N -0.524 119.893 120.300 0.196 0.000 2.128 52 Y HA -0.295 4.246 4.550 -0.015 0.000 0.284 52 Y C 2.010 177.878 175.900 -0.054 0.000 1.154 52 Y CA 1.411 59.523 58.100 0.021 0.000 1.149 52 Y CB -1.143 37.212 38.460 -0.174 0.000 0.976 52 Y HN 0.064 nan 8.280 nan 0.000 0.505 53 F N 0.143 119.916 119.950 -0.296 0.000 2.171 53 F HA -0.146 4.372 4.527 -0.015 0.000 0.300 53 F C 2.636 178.279 175.800 -0.262 0.000 1.090 53 F CA 1.038 58.805 58.000 -0.389 0.000 1.293 53 F CB -0.694 38.232 39.000 -0.124 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.041 122.713 122.820 -0.110 0.000 1.908 54 A HA -0.204 4.107 4.320 -0.015 0.000 0.218 54 A C 2.046 179.474 177.584 -0.259 0.000 1.181 54 A CA 1.665 53.492 52.037 -0.351 0.000 0.627 54 A CB -1.005 17.459 19.000 -0.893 0.000 0.818 54 A HN 0.351 nan 8.150 nan 0.000 0.445 55 L N -0.269 120.924 121.223 -0.050 0.000 2.027 55 L HA -0.012 4.319 4.340 -0.015 0.000 0.206 55 L C 2.697 179.560 176.870 -0.011 0.000 1.074 55 L CA 2.212 57.163 54.840 0.185 0.000 0.745 55 L CB -0.991 41.258 42.059 0.317 0.000 0.898 55 L HN 0.346 nan 8.230 nan 0.000 0.433 56 A N -1.158 121.492 122.820 -0.283 0.000 1.892 56 A HA -0.309 4.002 4.320 -0.015 0.000 0.218 56 A C 2.159 179.429 177.584 -0.524 0.000 1.188 56 A CA 2.147 53.906 52.037 -0.465 0.000 0.631 56 A CB -1.165 17.257 19.000 -0.963 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.447 57 H N -0.748 118.021 119.070 -0.502 0.000 2.353 57 H HA -0.068 4.479 4.556 -0.015 0.000 0.300 57 H C 2.384 177.466 175.328 -0.409 0.000 1.090 57 H CA 2.091 57.772 56.048 -0.612 0.000 1.327 57 H CB -0.261 28.868 29.762 -1.055 0.000 1.383 57 H HN 0.478 nan 8.280 nan 0.000 0.508 58 T N -0.304 114.214 114.554 -0.060 0.000 2.708 58 T HA -0.138 4.203 4.350 -0.015 0.000 0.266 58 T C 2.271 177.155 174.700 0.306 0.000 1.037 58 T CA 1.378 63.622 62.100 0.240 0.000 1.146 58 T CB -0.426 68.645 68.868 0.338 0.000 0.865 58 T HN 0.091 nan 8.240 nan 0.000 0.435 59 V N 1.339 121.387 119.914 0.223 0.000 2.358 59 V HA -0.126 3.985 4.120 -0.015 0.000 0.246 59 V C 2.622 178.893 176.094 0.294 0.000 1.047 59 V CA 1.567 64.028 62.300 0.270 0.000 1.035 59 V CB -0.608 31.374 31.823 0.266 0.000 0.658 59 V HN 0.345 nan 8.190 nan 0.000 0.452 60 R N 0.090 120.709 120.500 0.198 0.000 2.105 60 R HA -0.217 4.114 4.340 -0.015 0.000 0.239 60 R C 2.028 178.424 176.300 0.160 0.000 1.135 60 R CA 2.031 58.238 56.100 0.178 0.000 0.967 60 R CB -0.392 29.853 30.300 -0.092 0.000 0.861 60 R HN 0.503 nan 8.270 nan 0.000 0.442 61 D N -0.377 120.106 120.400 0.140 0.000 2.158 61 D HA -0.181 4.450 4.640 -0.015 0.000 0.197 61 D C 1.645 177.961 176.300 0.028 0.000 0.995 61 D CA 1.194 55.249 54.000 0.092 0.000 0.846 61 D CB -0.364 40.486 40.800 0.084 0.000 0.941 61 D HN 0.472 nan 8.370 nan 0.000 0.456 62 H N -0.405 118.728 119.070 0.106 0.000 2.546 62 H HA 0.066 4.614 4.556 -0.015 0.000 0.277 62 H C 2.157 177.526 175.328 0.068 0.000 1.004 62 H CA 0.285 56.380 56.048 0.079 0.000 1.231 62 H CB 0.391 30.193 29.762 0.066 0.000 1.382 62 H HN 0.197 nan 8.280 nan 0.000 0.580 63 L N 0.565 121.895 121.223 0.179 0.000 2.162 63 L HA -0.101 4.230 4.340 -0.015 0.000 0.205 63 L C 2.736 179.710 176.870 0.172 0.000 1.086 63 L CA 0.411 55.324 54.840 0.122 0.000 0.778 63 L CB -0.075 42.029 42.059 0.075 0.000 0.928 63 L HN 0.113 nan 8.230 nan 0.000 0.446 64 V N -2.613 117.421 119.914 0.201 0.000 2.407 64 V HA -0.101 4.010 4.120 -0.015 0.000 0.248 64 V C 2.272 178.478 176.094 0.186 0.000 1.055 64 V CA 1.933 64.391 62.300 0.264 0.000 1.049 64 V CB -1.663 30.279 31.823 0.198 0.000 0.662 64 V HN 0.364 nan 8.190 nan 0.000 0.455 65 G N 0.320 109.185 108.800 0.108 0.000 2.421 65 G HA2 -0.217 3.734 3.960 -0.015 0.000 0.216 65 G HA3 -0.217 3.734 3.960 -0.015 0.000 0.216 65 G C 1.753 176.696 174.900 0.071 0.000 1.171 65 G CA 0.906 46.045 45.100 0.064 0.000 0.775 65 G HN 0.535 nan 8.290 nan 0.000 0.543 66 R N -1.395 119.156 120.500 0.085 0.000 2.092 66 R HA -0.064 4.267 4.340 -0.015 0.000 0.231 66 R C 2.240 178.618 176.300 0.130 0.000 1.119 66 R CA 1.132 57.271 56.100 0.065 0.000 0.970 66 R CB -0.348 29.974 30.300 0.037 0.000 0.864 66 R HN 0.475 nan 8.270 nan 0.000 0.440 67 W N 1.512 122.790 121.300 -0.036 0.000 2.355 67 W HA -0.067 4.584 4.660 -0.014 0.000 0.309 67 W C 1.692 178.184 176.519 -0.045 0.000 1.206 67 W CA 0.934 58.256 57.345 -0.038 0.000 1.284 67 W CB -0.600 28.855 29.460 -0.008 0.000 1.145 67 W HN -0.041 nan 8.180 nan 0.000 0.502 68 I N 1.048 121.668 120.570 0.083 0.000 2.226 68 I HA -0.345 3.816 4.170 -0.015 0.000 0.245 68 I C 2.735 178.831 176.117 -0.035 0.000 1.100 68 I CA 2.064 63.331 61.300 -0.056 0.000 1.374 68 I CB -0.647 37.324 38.000 -0.050 0.000 1.057 68 I HN -0.018 nan 8.210 nan 0.000 0.413 69 R N 0.385 120.880 120.500 -0.007 0.000 2.115 69 R HA -0.055 4.276 4.340 -0.015 0.000 0.226 69 R C 1.931 178.193 176.300 -0.064 0.000 1.100 69 R CA 1.558 57.644 56.100 -0.024 0.000 0.980 69 R CB -1.176 29.112 30.300 -0.021 0.000 0.875 69 R HN 0.172 nan 8.270 nan 0.000 0.445 70 T N 1.758 116.252 114.554 -0.099 0.000 2.674 70 T HA -0.119 4.222 4.350 -0.015 0.000 0.265 70 T C 1.838 176.273 174.700 -0.442 0.000 1.039 70 T CA 1.468 63.401 62.100 -0.278 0.000 1.150 70 T CB -0.158 68.592 68.868 -0.197 0.000 0.864 70 T HN 0.247 nan 8.240 nan 0.000 0.427 71 Q N 0.761 120.444 119.800 -0.194 0.000 2.170 71 Q HA -0.088 4.243 4.340 -0.015 0.000 0.203 71 Q C 2.324 178.333 176.000 0.016 0.000 0.976 71 Q CA 1.288 57.053 55.803 -0.063 0.000 0.858 71 Q CB -0.490 28.250 28.738 0.004 0.000 0.907 71 Q HN 0.539 nan 8.270 nan 0.000 0.433 72 Q N 0.024 119.819 119.800 -0.008 0.000 2.050 72 Q HA -0.199 4.132 4.340 -0.015 0.000 0.202 72 Q C 1.958 178.035 176.000 0.128 0.000 0.980 72 Q CA 1.887 57.721 55.803 0.051 0.000 0.840 72 Q CB -0.312 28.436 28.738 0.016 0.000 0.898 72 Q HN 0.559 nan 8.270 nan 0.000 0.424 73 H N -1.151 117.885 119.070 -0.057 0.000 2.352 73 H HA -0.195 4.352 4.556 -0.015 0.000 0.299 73 H C 1.171 176.556 175.328 0.095 0.000 1.097 73 H CA 2.280 58.306 56.048 -0.037 0.000 1.311 73 H CB -0.231 29.437 29.762 -0.157 0.000 1.377 73 H HN 0.381 nan 8.280 nan 0.000 0.504 74 Y N -1.151 119.211 120.300 0.103 0.000 2.293 74 Y HA -0.169 4.372 4.550 -0.015 0.000 0.291 74 Y C 2.390 178.332 175.900 0.070 0.000 1.137 74 Y CA 0.960 59.090 58.100 0.050 0.000 1.202 74 Y CB -1.306 37.232 38.460 0.131 0.000 0.990 74 Y HN 0.370 nan 8.280 nan 0.000 0.537 75 Y N 1.265 121.655 120.300 0.150 0.000 2.200 75 Y HA -0.182 4.359 4.550 -0.015 0.000 0.290 75 Y C 2.123 178.046 175.900 0.038 0.000 1.137 75 Y CA 1.807 59.961 58.100 0.090 0.000 1.163 75 Y CB -0.001 38.502 38.460 0.071 0.000 0.988 75 Y HN 0.032 nan 8.280 nan 0.000 0.518 76 E N 0.342 120.599 120.200 0.096 0.000 2.046 76 E HA -0.148 4.193 4.350 -0.015 0.000 0.190 76 E C 1.988 178.534 176.600 -0.090 0.000 0.982 76 E CA 1.191 57.586 56.400 -0.008 0.000 0.800 76 E CB -0.258 29.473 29.700 0.051 0.000 0.756 76 E HN 0.498 nan 8.360 nan 0.000 0.449 77 K N 0.670 120.988 120.400 -0.136 0.000 2.305 77 K HA -0.071 4.240 4.320 -0.015 0.000 0.199 77 K C -0.044 176.521 176.600 -0.058 0.000 1.047 77 K CA 0.433 56.641 56.287 -0.132 0.000 0.976 77 K CB 0.032 32.370 32.500 -0.270 0.000 0.765 77 K HN -0.012 nan 8.250 nan 0.000 0.474 78 D N 1.064 121.440 120.400 -0.039 0.000 2.735 78 D HA -0.102 4.529 4.640 -0.015 0.000 0.235 78 D C -2.449 173.847 176.300 -0.007 0.000 1.175 78 D CA 0.070 54.063 54.000 -0.012 0.000 0.683 78 D CB -0.086 40.706 40.800 -0.014 0.000 1.008 78 D HN 0.162 nan 8.370 nan 0.000 0.416 79 P HA 0.107 nan 4.420 nan 0.000 0.276 79 P C -0.168 177.082 177.300 -0.084 0.000 1.261 79 P CA -0.598 62.473 63.100 -0.049 0.000 0.800 79 P CB 0.613 32.274 31.700 -0.065 0.000 1.066 80 K N 1.238 121.583 120.400 -0.091 0.000 2.447 80 K HA 0.046 4.357 4.320 -0.015 0.000 0.281 80 K C -0.052 176.450 176.600 -0.164 0.000 1.031 80 K CA 0.044 56.262 56.287 -0.114 0.000 1.019 80 K CB 0.162 32.609 32.500 -0.087 0.000 0.918 80 K HN 0.264 nan 8.250 nan 0.000 0.476 81 R N 3.702 124.092 120.500 -0.184 0.000 2.368 81 R HA 0.334 4.665 4.340 -0.015 0.000 0.302 81 R C -0.531 175.499 176.300 -0.451 0.000 1.002 81 R CA -0.525 55.392 56.100 -0.305 0.000 0.929 81 R CB 0.834 30.971 30.300 -0.270 0.000 1.073 81 R HN 0.488 nan 8.270 nan 0.000 0.464 82 I N 4.334 124.578 120.570 -0.543 0.000 2.339 82 I HA 0.210 4.371 4.170 -0.015 0.000 0.290 82 I C -0.673 175.123 176.117 -0.535 0.000 0.994 82 I CA -0.877 60.061 61.300 -0.603 0.000 1.191 82 I CB 0.847 38.373 38.000 -0.791 0.000 1.343 82 I HN 0.537 nan 8.210 nan 0.000 0.458 83 Y N 5.922 126.176 120.300 -0.077 0.000 2.356 83 Y HA 0.290 4.831 4.550 -0.015 0.000 0.334 83 Y C -0.293 175.694 175.900 0.146 0.000 0.958 83 Y CA -0.713 57.458 58.100 0.118 0.000 1.196 83 Y CB 1.107 39.588 38.460 0.035 0.000 1.137 83 Y HN 0.403 nan 8.280 nan 0.000 0.485 84 Y N 4.580 125.045 120.300 0.274 0.000 2.518 84 Y HA 0.464 5.005 4.550 -0.015 0.000 0.344 84 Y C -1.194 174.960 175.900 0.423 0.000 0.982 84 Y CA -0.887 57.387 58.100 0.291 0.000 1.234 84 Y CB 0.263 38.897 38.460 0.290 0.000 1.114 84 Y HN 0.516 nan 8.280 nan 0.000 0.515 85 L N 5.036 126.320 121.223 0.102 0.000 2.265 85 L HA 0.455 4.786 4.340 -0.015 0.000 0.288 85 L C -0.187 176.711 176.870 0.046 0.000 1.058 85 L CA 0.196 55.148 54.840 0.186 0.000 0.809 85 L CB 1.241 43.371 42.059 0.118 0.000 1.179 85 L HN 0.562 nan 8.230 nan 0.000 0.429 86 S N 2.423 118.221 115.700 0.164 0.000 2.541 86 S HA 0.523 4.984 4.470 -0.015 0.000 0.271 86 S C 0.256 174.927 174.600 0.119 0.000 1.133 86 S CA -0.517 57.668 58.200 -0.025 0.000 0.876 86 S CB 1.073 64.018 63.200 -0.425 0.000 1.105 86 S HN 0.445 nan 8.310 nan 0.000 0.470 87 L N 2.679 124.008 121.223 0.177 0.000 2.591 87 L HA 0.446 4.777 4.340 -0.015 0.000 0.228 87 L C 0.310 177.361 176.870 0.301 0.000 1.133 87 L CA 0.968 55.983 54.840 0.291 0.000 0.880 87 L CB -0.177 42.075 42.059 0.320 0.000 1.033 87 L HN 0.635 nan 8.230 nan 0.000 0.450 88 E N -1.134 119.106 120.200 0.068 0.000 2.275 88 E HA 0.403 4.744 4.350 -0.015 0.000 0.270 88 E C -1.387 175.065 176.600 -0.246 0.000 0.882 88 E CA -0.401 56.024 56.400 0.041 0.000 0.758 88 E CB 1.811 31.518 29.700 0.012 0.000 1.195 88 E HN -0.157 nan 8.360 nan 0.000 0.419 89 F N 2.268 122.322 119.950 0.173 0.000 2.610 89 F HA 0.188 4.706 4.527 -0.015 0.000 0.355 89 F C -0.768 175.119 175.800 0.145 0.000 1.140 89 F CA -0.794 57.295 58.000 0.149 0.000 1.037 89 F CB 0.986 40.064 39.000 0.129 0.000 1.287 89 F HN 0.487 nan 8.300 nan 0.000 0.457 90 Y N 5.388 125.762 120.300 0.124 0.000 2.714 90 Y HA 0.234 4.776 4.550 -0.014 0.000 0.333 90 Y C 0.858 176.777 175.900 0.031 0.000 1.220 90 Y CA -1.079 57.044 58.100 0.039 0.000 1.513 90 Y CB 0.346 38.812 38.460 0.010 0.000 1.435 90 Y HN 0.561 nan 8.280 nan 0.000 0.489 91 M N 1.371 121.089 119.600 0.197 0.000 2.388 91 M HA 0.121 4.592 4.480 -0.015 0.000 0.265 91 M C 1.576 177.838 176.300 -0.063 0.000 1.088 91 M CA 1.020 56.346 55.300 0.043 0.000 1.134 91 M CB -1.127 31.482 32.600 0.015 0.000 1.384 91 M HN 0.683 nan 8.290 nan 0.000 0.447 92 G N 1.402 110.168 108.800 -0.057 0.000 2.552 92 G HA2 -0.284 3.667 3.960 -0.015 0.000 0.265 92 G HA3 -0.284 3.667 3.960 -0.015 0.000 0.265 92 G C -0.210 174.639 174.900 -0.085 0.000 1.234 92 G CA -0.241 44.792 45.100 -0.112 0.000 0.944 92 G HN 0.446 nan 8.290 nan 0.000 0.568 93 R N -0.637 119.795 120.500 -0.113 0.000 2.531 93 R HA 0.568 4.899 4.340 -0.015 0.000 0.273 93 R C 1.104 177.289 176.300 -0.190 0.000 1.070 93 R CA 0.278 56.324 56.100 -0.090 0.000 1.112 93 R CB 0.779 31.036 30.300 -0.071 0.000 1.049 93 R HN 0.520 nan 8.270 nan 0.000 0.508 94 T N 1.211 115.605 114.554 -0.266 0.000 3.000 94 T HA -0.011 4.330 4.350 -0.015 0.000 0.248 94 T C 1.458 175.792 174.700 -0.610 0.000 1.034 94 T CA -0.094 61.644 62.100 -0.603 0.000 1.060 94 T CB 0.119 68.270 68.868 -1.194 0.000 0.983 94 T HN 0.311 nan 8.240 nan 0.000 0.482 95 L N 1.895 122.970 121.223 -0.246 0.000 1.970 95 L HA -0.044 4.287 4.340 -0.015 0.000 0.212 95 L C 2.482 179.318 176.870 -0.057 0.000 1.071 95 L CA 2.003 56.850 54.840 0.012 0.000 0.751 95 L CB -0.681 41.598 42.059 0.367 0.000 0.889 95 L HN 0.182 nan 8.230 nan 0.000 0.432 96 Q N -0.770 118.996 119.800 -0.057 0.000 2.084 96 Q HA -0.253 4.078 4.340 -0.015 0.000 0.202 96 Q C 2.244 178.173 176.000 -0.118 0.000 0.978 96 Q CA 1.858 57.620 55.803 -0.067 0.000 0.844 96 Q CB -0.305 28.391 28.738 -0.070 0.000 0.898 96 Q HN 0.688 nan 8.270 nan 0.000 0.426 97 N N -1.008 117.582 118.700 -0.183 0.000 2.104 97 N HA -0.161 4.570 4.740 -0.015 0.000 0.190 97 N C 1.380 176.782 175.510 -0.181 0.000 1.024 97 N CA 1.867 54.798 53.050 -0.198 0.000 0.853 97 N CB 0.046 38.381 38.487 -0.254 0.000 1.008 97 N HN 0.232 nan 8.380 nan 0.000 0.424 98 T N 1.296 115.707 114.554 -0.238 0.000 2.777 98 T HA -0.061 4.280 4.350 -0.015 0.000 0.266 98 T C 2.082 176.720 174.700 -0.104 0.000 1.040 98 T CA 1.059 63.037 62.100 -0.204 0.000 1.141 98 T CB -0.079 68.617 68.868 -0.287 0.000 0.868 98 T HN 0.261 nan 8.240 nan 0.000 0.444 99 M N 0.604 120.160 119.600 -0.073 0.000 2.086 99 M HA -0.105 4.366 4.480 -0.015 0.000 0.261 99 M C 2.504 178.772 176.300 -0.052 0.000 1.067 99 M CA 1.345 56.617 55.300 -0.046 0.000 1.116 99 M CB -0.723 31.864 32.600 -0.020 0.000 1.348 99 M HN 0.096 nan 8.290 nan 0.000 0.407 100 V N 1.050 120.938 119.914 -0.043 0.000 2.255 100 V HA -0.300 3.811 4.120 -0.015 0.000 0.247 100 V C 1.813 177.916 176.094 0.014 0.000 1.051 100 V CA 2.134 64.434 62.300 0.001 0.000 1.018 100 V CB -0.932 30.895 31.823 0.008 0.000 0.641 100 V HN 0.480 nan 8.190 nan 0.000 0.445 101 N N -0.376 118.321 118.700 -0.004 0.000 2.381 101 N HA -0.062 4.669 4.740 -0.015 0.000 0.182 101 N C 1.105 176.522 175.510 -0.156 0.000 1.025 101 N CA 0.758 53.787 53.050 -0.035 0.000 0.888 101 N CB -0.167 38.307 38.487 -0.022 0.000 0.965 101 N HN 0.283 nan 8.380 nan 0.000 0.438 102 L N -0.250 120.901 121.223 -0.121 0.000 2.607 102 L HA 0.395 4.726 4.340 -0.015 0.000 0.228 102 L C 0.518 177.311 176.870 -0.129 0.000 1.123 102 L CA -0.214 54.555 54.840 -0.118 0.000 0.890 102 L CB -0.857 41.158 42.059 -0.073 0.000 1.103 102 L HN 0.110 nan 8.230 nan 0.000 0.468 103 A N -0.512 122.228 122.820 -0.134 0.000 2.800 103 A HA -0.204 4.107 4.320 -0.015 0.000 0.292 103 A C 0.935 178.465 177.584 -0.089 0.000 1.474 103 A CA 0.872 52.841 52.037 -0.114 0.000 0.744 103 A CB -1.920 16.997 19.000 -0.138 0.000 1.044 103 A HN 0.205 nan 8.150 nan 0.000 0.489 104 L N -0.889 120.284 121.223 -0.084 0.000 2.817 104 L HA 0.266 4.598 4.340 -0.015 0.000 0.248 104 L C 1.819 178.653 176.870 -0.059 0.000 1.133 104 L CA 1.411 56.196 54.840 -0.092 0.000 0.935 104 L CB -0.158 41.821 42.059 -0.134 0.000 1.266 104 L HN 0.640 nan 8.230 nan 0.000 0.535 105 E N -0.066 120.108 120.200 -0.042 0.000 2.058 105 E HA -0.235 4.106 4.350 -0.015 0.000 0.194 105 E C 1.556 178.142 176.600 -0.024 0.000 0.997 105 E CA 1.404 57.789 56.400 -0.025 0.000 0.801 105 E CB 0.288 29.976 29.700 -0.020 0.000 0.746 105 E HN 0.389 nan 8.360 nan 0.000 0.450 106 N N 0.126 118.808 118.700 -0.029 0.000 2.142 106 N HA -0.110 4.621 4.740 -0.015 0.000 0.186 106 N C 1.594 177.085 175.510 -0.031 0.000 1.023 106 N CA 1.282 54.313 53.050 -0.031 0.000 0.852 106 N CB -0.433 38.034 38.487 -0.032 0.000 0.998 106 N HN 0.238 nan 8.380 nan 0.000 0.424 107 A N 0.404 123.205 122.820 -0.032 0.000 1.883 107 A HA -0.166 4.145 4.320 -0.015 0.000 0.217 107 A C 2.655 180.227 177.584 -0.019 0.000 1.186 107 A CA 1.496 53.517 52.037 -0.028 0.000 0.624 107 A CB -1.058 17.917 19.000 -0.041 0.000 0.822 107 A HN 0.459 nan 8.150 nan 0.000 0.444 108 C N -0.959 118.329 119.300 -0.019 0.000 2.435 108 C HA -0.053 4.398 4.460 -0.015 0.000 0.279 108 C C 2.437 177.427 174.990 -0.001 0.000 1.321 108 C CA 1.080 60.099 59.018 0.000 0.000 1.752 108 C CB -1.168 26.584 27.740 0.019 0.000 1.959 108 C HN 0.711 nan 8.230 nan 0.000 0.500 109 D N 0.702 121.099 120.400 -0.004 0.000 2.117 109 D HA -0.138 4.493 4.640 -0.015 0.000 0.197 109 D C 2.136 178.442 176.300 0.010 0.000 0.987 109 D CA 1.419 55.418 54.000 -0.002 0.000 0.829 109 D CB -0.188 40.600 40.800 -0.021 0.000 0.961 109 D HN 0.455 nan 8.370 nan 0.000 0.460 110 E N 0.113 120.311 120.200 -0.003 0.000 2.047 110 E HA -0.029 4.312 4.350 -0.015 0.000 0.191 110 E C 1.903 178.535 176.600 0.055 0.000 0.987 110 E CA 1.525 57.939 56.400 0.023 0.000 0.799 110 E CB -0.597 29.101 29.700 -0.003 0.000 0.752 110 E HN 0.206 nan 8.360 nan 0.000 0.449 111 A N -0.099 122.724 122.820 0.005 0.000 1.908 111 A HA -0.228 4.083 4.320 -0.015 0.000 0.218 111 A C 2.473 179.991 177.584 -0.111 0.000 1.181 111 A CA 2.889 54.905 52.037 -0.034 0.000 0.627 111 A CB -1.436 17.547 19.000 -0.029 0.000 0.818 111 A HN 0.519 nan 8.150 nan 0.000 0.445 112 T N -3.837 110.646 114.554 -0.118 0.000 2.904 112 T HA -0.175 4.166 4.350 -0.015 0.000 0.267 112 T C 1.833 176.462 174.700 -0.120 0.000 1.059 112 T CA 1.395 63.370 62.100 -0.209 0.000 1.137 112 T CB -0.571 68.209 68.868 -0.147 0.000 0.879 112 T HN 0.448 nan 8.240 nan 0.000 0.467 113 Y N 2.344 122.565 120.300 -0.131 0.000 2.128 113 Y HA -0.154 4.388 4.550 -0.014 0.000 0.284 113 Y C 2.643 178.481 175.900 -0.103 0.000 1.154 113 Y CA 1.700 59.740 58.100 -0.099 0.000 1.149 113 Y CB -0.547 37.874 38.460 -0.066 0.000 0.976 113 Y HN 0.237 nan 8.280 nan 0.000 0.505 114 Q N -0.944 118.815 119.800 -0.069 0.000 2.291 114 Q HA -0.126 4.205 4.340 -0.015 0.000 0.205 114 Q C 1.503 177.392 176.000 -0.184 0.000 0.970 114 Q CA 0.868 56.588 55.803 -0.137 0.000 0.876 114 Q CB -0.072 28.651 28.738 -0.024 0.000 0.935 114 Q HN 0.356 nan 8.270 nan 0.000 0.455 115 L N -0.876 120.218 121.223 -0.215 0.000 2.591 115 L HA 0.147 4.478 4.340 -0.015 0.000 0.228 115 L C 1.050 177.767 176.870 -0.255 0.000 1.133 115 L CA 1.108 55.805 54.840 -0.239 0.000 0.880 115 L CB -0.389 41.449 42.059 -0.368 0.000 1.033 115 L HN 0.293 nan 8.230 nan 0.000 0.450 116 G N 0.102 108.735 108.800 -0.279 0.000 2.212 116 G HA2 -0.244 3.707 3.960 -0.015 0.000 0.255 116 G HA3 -0.244 3.707 3.960 -0.015 0.000 0.255 116 G C -0.077 174.678 174.900 -0.241 0.000 1.062 116 G CA 0.190 45.131 45.100 -0.265 0.000 0.815 116 G HN 0.269 nan 8.290 nan 0.000 0.497 117 L N -0.304 120.778 121.223 -0.236 0.000 2.401 117 L HA 0.555 4.887 4.340 -0.015 0.000 0.266 117 L C -0.701 176.122 176.870 -0.079 0.000 0.991 117 L CA -1.178 53.544 54.840 -0.196 0.000 0.818 117 L CB 2.063 43.941 42.059 -0.302 0.000 1.321 117 L HN 0.105 nan 8.230 nan 0.000 0.413 118 D N 2.389 122.771 120.400 -0.030 0.000 2.347 118 D HA 0.180 4.812 4.640 -0.015 0.000 0.235 118 D C 0.662 176.982 176.300 0.033 0.000 1.149 118 D CA -0.158 53.857 54.000 0.025 0.000 0.850 118 D CB 1.488 42.308 40.800 0.034 0.000 1.061 118 D HN 0.507 nan 8.370 nan 0.000 0.487 119 M N 3.152 122.776 119.600 0.040 0.000 2.159 119 M HA -0.151 4.320 4.480 -0.015 0.000 0.263 119 M C 1.404 177.742 176.300 0.065 0.000 1.063 119 M CA 1.523 56.857 55.300 0.056 0.000 1.110 119 M CB 0.165 32.794 32.600 0.048 0.000 1.374 119 M HN 0.440 nan 8.290 nan 0.000 0.411 120 E N -0.167 120.063 120.200 0.050 0.000 2.118 120 E HA -0.279 4.062 4.350 -0.015 0.000 0.195 120 E C 1.858 178.487 176.600 0.049 0.000 0.992 120 E CA 1.576 58.003 56.400 0.046 0.000 0.804 120 E CB -0.205 29.520 29.700 0.041 0.000 0.741 120 E HN 0.646 nan 8.360 nan 0.000 0.458 121 E N 0.427 120.659 120.200 0.052 0.000 2.072 121 E HA -0.193 4.148 4.350 -0.015 0.000 0.191 121 E C 1.972 178.605 176.600 0.056 0.000 0.985 121 E CA 0.549 56.979 56.400 0.050 0.000 0.801 121 E CB 0.159 29.889 29.700 0.049 0.000 0.750 121 E HN 0.079 nan 8.360 nan 0.000 0.452 122 L N 1.538 122.814 121.223 0.090 0.000 2.083 122 L HA -0.146 4.185 4.340 -0.015 0.000 0.209 122 L C 2.098 179.023 176.870 0.092 0.000 1.083 122 L CA 1.658 56.584 54.840 0.142 0.000 0.752 122 L CB -0.699 41.495 42.059 0.224 0.000 0.899 122 L HN 0.154 nan 8.230 nan 0.000 0.433 123 E N -0.724 119.522 120.200 0.078 0.000 2.153 123 E HA -0.190 4.151 4.350 -0.015 0.000 0.194 123 E C 1.815 178.379 176.600 -0.060 0.000 0.988 123 E CA 0.782 57.204 56.400 0.036 0.000 0.811 123 E CB 0.035 29.762 29.700 0.044 0.000 0.746 123 E HN 0.429 nan 8.360 nan 0.000 0.466 124 E N 0.231 120.406 120.200 -0.041 0.000 2.418 124 E HA -0.101 4.240 4.350 -0.015 0.000 0.197 124 E C 1.861 178.393 176.600 -0.114 0.000 1.026 124 E CA 0.515 56.889 56.400 -0.043 0.000 0.862 124 E CB 0.062 29.770 29.700 0.013 0.000 0.799 124 E HN 0.412 nan 8.360 nan 0.000 0.518 125 I N 0.907 121.344 120.570 -0.220 0.000 2.617 125 I HA -0.110 4.051 4.170 -0.015 0.000 0.256 125 I C 1.395 177.192 176.117 -0.532 0.000 1.167 125 I CA 0.267 61.363 61.300 -0.340 0.000 1.469 125 I CB 0.078 37.873 38.000 -0.341 0.000 1.098 125 I HN -0.027 nan 8.210 nan 0.000 0.436 126 E N 2.742 122.520 120.200 -0.702 0.000 2.376 126 E HA -0.039 4.302 4.350 -0.015 0.000 0.266 126 E C -0.171 176.344 176.600 -0.141 0.000 1.009 126 E CA -0.225 55.841 56.400 -0.556 0.000 0.902 126 E CB 0.601 30.096 29.700 -0.342 0.000 0.972 126 E HN 0.089 nan 8.360 nan 0.000 0.439 127 E N 3.405 123.617 120.200 0.020 0.000 2.373 127 E HA 0.031 4.373 4.350 -0.015 0.000 0.267 127 E C -0.792 175.911 176.600 0.171 0.000 1.032 127 E CA -0.116 56.378 56.400 0.157 0.000 0.889 127 E CB 0.646 30.534 29.700 0.314 0.000 0.984 127 E HN 0.489 nan 8.360 nan 0.000 0.425 128 D N 0.784 121.256 120.400 0.120 0.000 2.455 128 D HA 0.130 4.761 4.640 -0.015 0.000 0.241 128 D C -0.312 176.022 176.300 0.057 0.000 1.138 128 D CA 0.204 54.246 54.000 0.070 0.000 0.877 128 D CB 0.566 41.389 40.800 0.039 0.000 1.187 128 D HN 0.359 nan 8.370 nan 0.000 0.451 129 A N 2.519 125.323 122.820 -0.027 0.000 2.544 129 A HA 0.461 4.772 4.320 -0.015 0.000 0.301 129 A C 1.062 178.497 177.584 -0.248 0.000 1.368 129 A CA -0.357 51.458 52.037 -0.370 0.000 1.045 129 A CB -0.264 18.584 19.000 -0.254 0.000 1.129 129 A HN 0.546 nan 8.150 nan 0.000 0.540 130 G N 2.189 110.793 108.800 -0.325 0.000 3.943 130 G HA2 0.414 4.365 3.960 -0.015 0.000 0.275 130 G HA3 0.414 4.365 3.960 -0.015 0.000 0.275 130 G C 0.324 175.039 174.900 -0.308 0.000 1.234 130 G CA -0.308 44.714 45.100 -0.131 0.000 1.522 130 G HN 0.695 nan 8.290 nan 0.000 0.636 131 L N 1.273 122.356 121.223 -0.234 0.000 2.862 131 L HA 0.364 4.695 4.340 -0.015 0.000 0.240 131 L C 1.045 177.867 176.870 -0.081 0.000 1.283 131 L CA -0.169 54.624 54.840 -0.078 0.000 1.117 131 L CB -0.335 41.778 42.059 0.091 0.000 1.444 131 L HN 0.324 nan 8.230 nan 0.000 0.456 132 G N -1.358 107.177 108.800 -0.442 0.000 2.660 132 G HA2 0.199 4.150 3.960 -0.015 0.000 0.290 132 G HA3 0.199 4.150 3.960 -0.015 0.000 0.290 132 G C -0.135 174.276 174.900 -0.816 0.000 1.432 132 G CA -0.449 44.336 45.100 -0.525 0.000 0.807 132 G HN -0.114 nan 8.290 nan 0.000 0.485 133 N N -0.797 117.643 118.700 -0.433 0.000 2.368 133 N HA 0.207 4.938 4.740 -0.015 0.000 0.178 133 N C 1.160 176.598 175.510 -0.119 0.000 1.021 133 N CA 1.350 54.236 53.050 -0.273 0.000 0.875 133 N CB 1.104 39.552 38.487 -0.065 0.000 1.020 133 N HN 0.825 nan 8.380 nan 0.000 0.433 134 G N -0.816 108.007 108.800 0.038 0.000 2.818 134 G HA2 0.210 4.161 3.960 -0.015 0.000 0.109 134 G HA3 0.210 4.161 3.960 -0.015 0.000 0.109 134 G C 0.703 175.733 174.900 0.216 0.000 1.206 134 G CA 0.235 45.478 45.100 0.240 0.000 1.243 134 G HN 0.156 nan 8.290 nan 0.000 0.609 135 G N 0.344 109.215 108.800 0.119 0.000 2.440 135 G HA2 -0.070 3.881 3.960 -0.015 0.000 0.218 135 G HA3 -0.070 3.881 3.960 -0.015 0.000 0.218 135 G C 1.868 176.775 174.900 0.011 0.000 1.154 135 G CA 1.509 46.644 45.100 0.057 0.000 0.767 135 G HN 0.758 nan 8.290 nan 0.000 0.552 136 L N 0.565 121.775 121.223 -0.022 0.000 2.017 136 L HA 0.111 4.442 4.340 -0.015 0.000 0.208 136 L C 2.842 179.645 176.870 -0.111 0.000 1.073 136 L CA 1.958 56.705 54.840 -0.155 0.000 0.745 136 L CB -0.593 41.334 42.059 -0.221 0.000 0.894 136 L HN 0.226 nan 8.230 nan 0.000 0.432 137 G N -0.595 108.196 108.800 -0.015 0.000 2.408 137 G HA2 -0.314 3.637 3.960 -0.015 0.000 0.217 137 G HA3 -0.314 3.637 3.960 -0.015 0.000 0.217 137 G C 1.640 176.619 174.900 0.131 0.000 1.150 137 G CA 0.745 45.863 45.100 0.030 0.000 0.776 137 G HN 0.299 nan 8.290 nan 0.000 0.542 138 R N 0.022 120.633 120.500 0.185 0.000 2.092 138 R HA 0.116 4.447 4.340 -0.015 0.000 0.231 138 R C 2.329 178.642 176.300 0.022 0.000 1.119 138 R CA 0.840 57.019 56.100 0.131 0.000 0.970 138 R CB -0.915 29.429 30.300 0.073 0.000 0.864 138 R HN 0.331 nan 8.270 nan 0.000 0.440 139 L N 0.216 121.383 121.223 -0.093 0.000 2.042 139 L HA -0.039 4.292 4.340 -0.015 0.000 0.210 139 L C 2.104 178.701 176.870 -0.454 0.000 1.076 139 L CA 2.210 56.852 54.840 -0.329 0.000 0.749 139 L CB -0.882 40.943 42.059 -0.391 0.000 0.893 139 L HN 0.262 nan 8.230 nan 0.000 0.432 140 A N -0.632 122.053 122.820 -0.225 0.000 1.908 140 A HA -0.183 4.128 4.320 -0.015 0.000 0.218 140 A C 2.436 180.085 177.584 0.109 0.000 1.181 140 A CA 2.000 53.980 52.037 -0.096 0.000 0.627 140 A CB -1.165 17.751 19.000 -0.140 0.000 0.818 140 A HN 0.579 nan 8.150 nan 0.000 0.445 141 A N -1.162 121.752 122.820 0.156 0.000 1.898 141 A HA -0.135 4.176 4.320 -0.015 0.000 0.216 141 A C 2.316 179.975 177.584 0.125 0.000 1.181 141 A CA 1.593 53.740 52.037 0.183 0.000 0.620 141 A CB -1.250 17.845 19.000 0.159 0.000 0.819 141 A HN 0.597 nan 8.150 nan 0.000 0.442 142 C N -1.466 117.912 119.300 0.129 0.000 2.429 142 C HA -0.075 4.376 4.460 -0.015 0.000 0.277 142 C C 2.424 177.580 174.990 0.277 0.000 1.262 142 C CA 0.679 59.812 59.018 0.193 0.000 1.733 142 C CB -1.622 26.253 27.740 0.225 0.000 2.010 142 C HN 0.607 nan 8.230 nan 0.000 0.483 143 F N 1.204 121.138 119.950 -0.026 0.000 2.126 143 F HA -0.088 4.430 4.527 -0.015 0.000 0.299 143 F C 2.234 177.969 175.800 -0.110 0.000 1.096 143 F CA 1.066 58.997 58.000 -0.115 0.000 1.255 143 F CB -1.346 37.454 39.000 -0.334 0.000 0.997 143 F HN 0.202 nan 8.300 nan 0.000 0.479 144 L N -0.463 120.826 121.223 0.109 0.000 2.046 144 L HA -0.249 4.082 4.340 -0.015 0.000 0.208 144 L C 2.172 179.044 176.870 0.004 0.000 1.077 144 L CA 1.929 56.785 54.840 0.027 0.000 0.747 144 L CB -0.797 41.274 42.059 0.020 0.000 0.896 144 L HN 0.094 nan 8.230 nan 0.000 0.432 145 D N -0.430 119.984 120.400 0.023 0.000 2.104 145 D HA -0.185 4.446 4.640 -0.015 0.000 0.194 145 D C 2.211 178.522 176.300 0.018 0.000 0.994 145 D CA 1.612 55.614 54.000 0.003 0.000 0.830 145 D CB 0.188 40.990 40.800 0.003 0.000 0.959 145 D HN 0.089 nan 8.370 nan 0.000 0.452 146 S N -0.755 114.972 115.700 0.045 0.000 2.368 146 S HA -0.119 4.342 4.470 -0.015 0.000 0.224 146 S C 2.003 176.610 174.600 0.011 0.000 1.029 146 S CA 0.908 59.127 58.200 0.032 0.000 0.988 146 S CB -0.232 62.992 63.200 0.040 0.000 0.838 146 S HN 0.339 nan 8.310 nan 0.000 0.462 147 M N 0.987 120.585 119.600 -0.003 0.000 2.159 147 M HA -0.119 4.353 4.480 -0.015 0.000 0.263 147 M C 2.438 178.733 176.300 -0.009 0.000 1.063 147 M CA 1.475 56.770 55.300 -0.009 0.000 1.110 147 M CB -0.509 32.065 32.600 -0.043 0.000 1.374 147 M HN 0.402 nan 8.290 nan 0.000 0.411 148 A N -0.326 122.485 122.820 -0.015 0.000 1.897 148 A HA -0.111 4.200 4.320 -0.015 0.000 0.215 148 A C 2.156 179.748 177.584 0.013 0.000 1.181 148 A CA 1.959 53.990 52.037 -0.009 0.000 0.620 148 A CB -1.054 17.925 19.000 -0.036 0.000 0.821 148 A HN 0.419 nan 8.150 nan 0.000 0.443 149 T N 0.288 114.856 114.554 0.023 0.000 2.881 149 T HA -0.008 4.333 4.350 -0.015 0.000 0.270 149 T C 1.321 176.047 174.700 0.042 0.000 1.068 149 T CA 1.122 63.250 62.100 0.047 0.000 1.131 149 T CB -0.256 68.649 68.868 0.062 0.000 0.871 149 T HN 0.336 nan 8.240 nan 0.000 0.479 150 L N 0.292 121.536 121.223 0.035 0.000 2.628 150 L HA 0.310 4.641 4.340 -0.015 0.000 0.229 150 L C 1.601 178.499 176.870 0.046 0.000 1.137 150 L CA -0.066 54.797 54.840 0.039 0.000 0.909 150 L CB -0.260 41.822 42.059 0.038 0.000 1.137 150 L HN 0.398 nan 8.230 nan 0.000 0.470 151 G N 1.188 110.017 108.800 0.048 0.000 2.221 151 G HA2 -0.282 3.669 3.960 -0.015 0.000 0.265 151 G HA3 -0.282 3.669 3.960 -0.015 0.000 0.265 151 G C 0.069 175.017 174.900 0.081 0.000 1.041 151 G CA 0.025 45.170 45.100 0.075 0.000 0.807 151 G HN 0.270 nan 8.290 nan 0.000 0.502 152 L N -0.147 121.094 121.223 0.030 0.000 2.334 152 L HA 0.622 4.953 4.340 -0.015 0.000 0.277 152 L C 1.230 177.994 176.870 -0.176 0.000 1.075 152 L CA -0.388 54.427 54.840 -0.042 0.000 0.804 152 L CB 1.610 43.653 42.059 -0.027 0.000 1.174 152 L HN 0.263 nan 8.230 nan 0.000 0.438 153 A N 3.021 125.602 122.820 -0.399 0.000 2.981 153 A HA 0.550 4.861 4.320 -0.015 0.000 0.280 153 A C 0.294 177.504 177.584 -0.623 0.000 1.743 153 A CA -0.136 51.361 52.037 -0.901 0.000 1.430 153 A CB -0.705 17.623 19.000 -1.120 0.000 1.085 153 A HN 0.688 nan 8.150 nan 0.000 0.597 154 A N 1.440 123.947 122.820 -0.522 0.000 2.340 154 A HA 0.794 5.105 4.320 -0.015 0.000 0.331 154 A C -1.033 176.266 177.584 -0.476 0.000 1.140 154 A CA -0.467 51.331 52.037 -0.399 0.000 0.801 154 A CB 0.788 19.634 19.000 -0.257 0.000 1.234 154 A HN 0.611 nan 8.150 nan 0.000 0.469 155 Y N 0.357 120.572 120.300 -0.142 0.000 2.373 155 Y HA 0.536 5.077 4.550 -0.015 0.000 0.336 155 Y C 0.835 176.816 175.900 0.136 0.000 0.979 155 Y CA -0.550 57.549 58.100 -0.002 0.000 1.080 155 Y CB 2.410 40.967 38.460 0.161 0.000 1.190 155 Y HN 0.833 nan 8.280 nan 0.000 0.446 156 G N 2.306 111.183 108.800 0.128 0.000 2.325 156 G HA2 0.445 4.397 3.960 -0.015 0.000 0.298 156 G HA3 0.445 4.397 3.960 -0.015 0.000 0.298 156 G C -1.721 173.192 174.900 0.021 0.000 1.134 156 G CA -0.242 44.959 45.100 0.168 0.000 0.876 156 G HN 0.531 nan 8.290 nan 0.000 0.452 157 Y N 1.059 121.590 120.300 0.386 0.000 2.350 157 Y HA 0.631 5.172 4.550 -0.015 0.000 0.338 157 Y C 0.763 176.985 175.900 0.536 0.000 0.961 157 Y CA 0.203 58.502 58.100 0.330 0.000 1.100 157 Y CB 2.689 41.362 38.460 0.356 0.000 1.179 157 Y HN 0.870 nan 8.280 nan 0.000 0.454 158 G N 2.332 111.462 108.800 0.550 0.000 2.753 158 G HA2 0.599 4.550 3.960 -0.015 0.000 0.303 158 G HA3 0.599 4.550 3.960 -0.015 0.000 0.303 158 G C -1.800 173.335 174.900 0.393 0.000 1.242 158 G CA -0.820 44.626 45.100 0.577 0.000 0.810 158 G HN 0.433 nan 8.290 nan 0.000 0.515 159 I N 0.532 121.229 120.570 0.210 0.000 2.474 159 I HA 0.434 4.595 4.170 -0.015 0.000 0.294 159 I C 0.303 176.320 176.117 -0.167 0.000 1.005 159 I CA -0.715 60.596 61.300 0.019 0.000 1.113 159 I CB 2.245 40.086 38.000 -0.265 0.000 1.289 159 I HN 0.341 nan 8.210 nan 0.000 0.436 160 R N 6.134 126.640 120.500 0.010 0.000 2.608 160 R HA 0.224 4.555 4.340 -0.015 0.000 0.277 160 R C -1.240 175.107 176.300 0.079 0.000 1.341 160 R CA -0.439 55.698 56.100 0.062 0.000 1.199 160 R CB -0.055 30.262 30.300 0.027 0.000 1.156 160 R HN 0.397 nan 8.270 nan 0.000 0.558 161 Y N 1.430 121.897 120.300 0.279 0.000 2.511 161 Y HA -0.087 4.454 4.550 -0.015 0.000 0.332 161 Y C 1.602 177.695 175.900 0.321 0.000 1.177 161 Y CA 0.080 58.335 58.100 0.259 0.000 1.422 161 Y CB 0.751 39.341 38.460 0.217 0.000 1.271 161 Y HN 0.584 nan 8.280 nan 0.000 0.550 162 E N 2.195 122.581 120.200 0.309 0.000 2.150 162 E HA -0.075 4.266 4.350 -0.015 0.000 0.193 162 E C -0.735 175.768 176.600 -0.161 0.000 0.985 162 E CA 0.722 57.106 56.400 -0.026 0.000 0.814 162 E CB 0.161 29.732 29.700 -0.216 0.000 0.752 162 E HN 0.512 nan 8.360 nan 0.000 0.466 163 F N -0.169 120.004 119.950 0.372 0.000 2.460 163 F HA 0.445 4.963 4.527 -0.015 0.000 0.341 163 F C 0.778 176.677 175.800 0.166 0.000 1.130 163 F CA -0.845 57.330 58.000 0.292 0.000 0.962 163 F CB 1.866 40.965 39.000 0.165 0.000 1.171 163 F HN -0.095 nan 8.300 nan 0.000 0.436 164 G N 1.876 110.806 108.800 0.216 0.000 2.531 164 G HA2 0.338 4.290 3.960 -0.015 0.000 0.253 164 G HA3 0.338 4.290 3.960 -0.015 0.000 0.253 164 G C -0.503 174.371 174.900 -0.043 0.000 1.439 164 G CA -0.674 44.396 45.100 -0.049 0.000 1.056 164 G HN 0.536 nan 8.290 nan 0.000 0.555 165 I N 0.910 121.376 120.570 -0.173 0.000 2.752 165 I HA 0.188 4.349 4.170 -0.015 0.000 0.289 165 I C 0.557 176.588 176.117 -0.142 0.000 1.197 165 I CA -1.088 60.073 61.300 -0.232 0.000 1.432 165 I CB -0.310 37.450 38.000 -0.401 0.000 1.359 165 I HN 0.325 nan 8.210 nan 0.000 0.571 166 F N 6.263 126.231 119.950 0.030 0.000 2.628 166 F HA 0.222 4.740 4.527 -0.015 0.000 0.362 166 F C 0.553 176.408 175.800 0.091 0.000 1.148 166 F CA -0.596 57.442 58.000 0.063 0.000 1.352 166 F CB -0.417 38.608 39.000 0.043 0.000 1.081 166 F HN 0.423 nan 8.300 nan 0.000 0.605 167 N N 2.482 121.366 118.700 0.305 0.000 2.497 167 N HA 0.038 4.769 4.740 -0.015 0.000 0.271 167 N C -0.741 175.007 175.510 0.396 0.000 1.142 167 N CA -0.239 52.969 53.050 0.263 0.000 0.965 167 N CB 1.127 39.748 38.487 0.223 0.000 1.077 167 N HN 0.764 nan 8.380 nan 0.000 0.462 168 Q N 2.417 122.427 119.800 0.350 0.000 2.278 168 Q HA 0.188 4.519 4.340 -0.015 0.000 0.257 168 Q C -0.997 175.164 176.000 0.269 0.000 0.928 168 Q CA -0.518 55.514 55.803 0.382 0.000 0.932 168 Q CB 0.740 29.720 28.738 0.402 0.000 1.221 168 Q HN 0.270 nan 8.270 nan 0.000 0.434 169 K N 4.366 124.898 120.400 0.220 0.000 2.207 169 K HA 0.476 4.787 4.320 -0.015 0.000 0.255 169 K C -0.604 176.086 176.600 0.150 0.000 0.941 169 K CA -0.923 55.470 56.287 0.177 0.000 0.825 169 K CB 1.644 34.230 32.500 0.142 0.000 1.119 169 K HN 0.604 nan 8.250 nan 0.000 0.430 170 I N 1.854 122.504 120.570 0.132 0.000 2.339 170 I HA 0.179 4.340 4.170 -0.015 0.000 0.290 170 I C -0.173 175.992 176.117 0.080 0.000 0.994 170 I CA -0.720 60.627 61.300 0.079 0.000 1.191 170 I CB 0.989 39.011 38.000 0.036 0.000 1.343 170 I HN 0.526 nan 8.210 nan 0.000 0.458 171 C N 4.999 124.357 119.300 0.098 0.000 2.344 171 C HA 0.626 5.077 4.460 -0.015 0.000 0.326 171 C C 1.049 176.132 174.990 0.155 0.000 1.201 171 C CA 0.243 59.326 59.018 0.108 0.000 1.410 171 C CB -0.063 27.738 27.740 0.102 0.000 2.070 171 C HN 1.106 nan 8.230 nan 0.000 0.445 172 G N 3.933 112.797 108.800 0.106 0.000 2.221 172 G HA2 0.088 4.039 3.960 -0.015 0.000 0.265 172 G HA3 0.088 4.039 3.960 -0.015 0.000 0.265 172 G C 1.189 176.092 174.900 0.005 0.000 1.041 172 G CA 1.115 46.286 45.100 0.118 0.000 0.807 172 G HN 2.562 nan 8.290 nan 0.000 0.502 173 G N -2.798 105.945 108.800 -0.096 0.000 2.179 173 G HA2 -0.302 3.649 3.960 -0.015 0.000 0.260 173 G HA3 -0.302 3.649 3.960 -0.015 0.000 0.260 173 G C 0.370 174.999 174.900 -0.452 0.000 0.977 173 G CA 0.694 45.609 45.100 -0.309 0.000 0.641 173 G HN 1.217 nan 8.290 nan 0.000 0.533 174 W N 0.841 122.085 121.300 -0.093 0.000 2.496 174 W HA 0.645 5.296 4.660 -0.015 0.000 0.327 174 W C 0.639 177.103 176.519 -0.092 0.000 1.086 174 W CA -0.926 56.359 57.345 -0.099 0.000 1.222 174 W CB 0.910 30.329 29.460 -0.068 0.000 1.304 174 W HN 0.252 nan 8.180 nan 0.000 0.547 175 Q N 3.482 123.379 119.800 0.161 0.000 2.313 175 Q HA 0.198 4.529 4.340 -0.015 0.000 0.266 175 Q C -0.540 175.514 176.000 0.090 0.000 0.989 175 Q CA 0.198 56.061 55.803 0.100 0.000 0.890 175 Q CB 0.537 29.326 28.738 0.084 0.000 1.200 175 Q HN 0.317 nan 8.270 nan 0.000 0.396 176 M N 3.101 122.747 119.600 0.078 0.000 2.456 176 M HA 0.404 4.875 4.480 -0.015 0.000 0.324 176 M C -1.046 175.263 176.300 0.014 0.000 1.124 176 M CA -0.695 54.622 55.300 0.027 0.000 0.959 176 M CB 1.735 34.364 32.600 0.048 0.000 1.692 176 M HN 0.594 nan 8.290 nan 0.000 0.444 177 E N 1.494 121.640 120.200 -0.090 0.000 2.179 177 E HA 0.469 4.810 4.350 -0.015 0.000 0.275 177 E C -0.768 175.834 176.600 0.004 0.000 0.945 177 E CA -0.608 55.718 56.400 -0.124 0.000 0.792 177 E CB 1.704 31.087 29.700 -0.527 0.000 1.125 177 E HN 0.543 nan 8.360 nan 0.000 0.397 178 E N 1.046 121.322 120.200 0.127 0.000 2.266 178 E HA 0.715 5.057 4.350 -0.015 0.000 0.268 178 E C -1.037 175.658 176.600 0.159 0.000 0.879 178 E CA -1.443 55.023 56.400 0.110 0.000 0.762 178 E CB 1.475 31.246 29.700 0.118 0.000 1.199 178 E HN 0.467 nan 8.360 nan 0.000 0.422 179 A N 2.468 125.342 122.820 0.089 0.000 2.565 179 A HA 0.035 4.346 4.320 -0.015 0.000 0.237 179 A C -0.070 177.686 177.584 0.286 0.000 1.053 179 A CA 0.364 52.465 52.037 0.106 0.000 0.755 179 A CB -0.062 18.879 19.000 -0.098 0.000 0.980 179 A HN 0.719 nan 8.150 nan 0.000 0.506 180 D N 1.668 122.304 120.400 0.393 0.000 2.494 180 D HA 0.208 4.839 4.640 -0.015 0.000 0.217 180 D C -0.468 176.157 176.300 0.542 0.000 1.153 180 D CA -0.180 54.057 54.000 0.395 0.000 0.954 180 D CB 0.325 41.292 40.800 0.278 0.000 1.034 180 D HN 0.387 nan 8.370 nan 0.000 0.518 181 D N 3.709 124.385 120.400 0.459 0.000 2.801 181 D HA -0.016 4.616 4.640 -0.015 0.000 0.232 181 D C 1.137 177.556 176.300 0.199 0.000 1.128 181 D CA -0.541 53.636 54.000 0.294 0.000 1.003 181 D CB -0.165 40.808 40.800 0.289 0.000 1.110 181 D HN 0.544 nan 8.370 nan 0.000 0.477 182 W N 1.723 123.049 121.300 0.043 0.000 2.595 182 W HA -0.012 4.639 4.660 -0.015 0.000 0.257 182 W C 0.127 176.695 176.519 0.082 0.000 1.267 182 W CA 0.060 57.457 57.345 0.087 0.000 1.300 182 W CB -0.720 28.799 29.460 0.099 0.000 1.120 182 W HN 0.170 nan 8.180 nan 0.000 0.618 183 L N 1.000 121.851 121.223 -0.619 0.000 2.607 183 L HA 0.179 4.510 4.340 -0.015 0.000 0.228 183 L C 2.741 179.432 176.870 -0.297 0.000 1.123 183 L CA -0.014 54.434 54.840 -0.653 0.000 0.890 183 L CB -0.617 40.938 42.059 -0.841 0.000 1.103 183 L HN -0.105 nan 8.230 nan 0.000 0.468 184 R N 0.561 120.939 120.500 -0.202 0.000 2.113 184 R HA -0.238 4.094 4.340 -0.015 0.000 0.244 184 R C 1.424 177.537 176.300 -0.312 0.000 1.142 184 R CA 2.164 58.099 56.100 -0.274 0.000 0.953 184 R CB -0.205 29.883 30.300 -0.354 0.000 0.860 184 R HN 0.296 nan 8.270 nan 0.000 0.438 185 Y N -0.469 119.849 120.300 0.030 0.000 2.466 185 Y HA 0.329 4.870 4.550 -0.015 0.000 0.272 185 Y C 0.862 176.750 175.900 -0.020 0.000 1.169 185 Y CA 0.456 58.594 58.100 0.062 0.000 1.285 185 Y CB 0.779 39.404 38.460 0.275 0.000 1.078 185 Y HN 0.438 nan 8.280 nan 0.000 0.523 186 G N 1.269 110.100 108.800 0.051 0.000 2.699 186 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.686 186 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.686 186 G C -1.216 173.732 174.900 0.080 0.000 1.301 186 G CA -0.791 44.292 45.100 -0.028 0.000 0.816 186 G HN 0.258 nan 8.290 nan 0.000 0.595 187 N N 1.156 119.856 118.700 -0.001 0.000 2.524 187 N HA 0.586 5.317 4.740 -0.015 0.000 0.261 187 N C -0.652 174.861 175.510 0.004 0.000 0.998 187 N CA -1.979 51.108 53.050 0.060 0.000 0.915 187 N CB 2.055 40.517 38.487 -0.042 0.000 1.187 187 N HN 0.231 nan 8.380 nan 0.000 0.507 188 P HA 0.008 nan 4.420 nan 0.000 0.229 188 P C 0.601 177.589 177.300 -0.519 0.000 1.160 188 P CA 0.790 63.597 63.100 -0.487 0.000 0.777 188 P CB 0.092 31.282 31.700 -0.850 0.000 0.814 189 W N 1.842 123.159 121.300 0.028 0.000 2.770 189 W HA 0.057 4.709 4.660 -0.014 0.000 0.256 189 W C 1.171 177.728 176.519 0.063 0.000 1.291 189 W CA -0.374 56.981 57.345 0.016 0.000 1.396 189 W CB -0.165 29.313 29.460 0.029 0.000 1.114 189 W HN 0.038 nan 8.180 nan 0.000 0.637 190 E N 1.413 121.774 120.200 0.269 0.000 2.248 190 E HA 0.405 4.747 4.350 -0.015 0.000 0.272 190 E C -0.725 176.035 176.600 0.267 0.000 1.008 190 E CA -0.926 55.649 56.400 0.292 0.000 0.856 190 E CB 1.516 31.403 29.700 0.311 0.000 1.120 190 E HN -0.323 nan 8.360 nan 0.000 0.397 191 K N 1.650 122.225 120.400 0.292 0.000 2.450 191 K HA 0.424 4.735 4.320 -0.015 0.000 0.257 191 K C -1.182 175.439 176.600 0.034 0.000 0.953 191 K CA -0.506 55.885 56.287 0.173 0.000 0.844 191 K CB 1.590 34.194 32.500 0.174 0.000 1.103 191 K HN 0.668 nan 8.250 nan 0.000 0.429 192 A N 4.340 127.086 122.820 -0.122 0.000 2.488 192 A HA 0.323 4.634 4.320 -0.015 0.000 0.249 192 A C -0.257 177.163 177.584 -0.274 0.000 1.083 192 A CA -0.108 51.618 52.037 -0.519 0.000 0.768 192 A CB 0.198 18.869 19.000 -0.549 0.000 1.017 192 A HN 0.664 nan 8.150 nan 0.000 0.496 193 R N 3.442 123.787 120.500 -0.257 0.000 2.983 193 R HA 0.201 4.532 4.340 -0.015 0.000 0.300 193 R C -2.310 173.964 176.300 -0.043 0.000 1.367 193 R CA -1.746 54.314 56.100 -0.067 0.000 1.564 193 R CB 0.593 30.960 30.300 0.112 0.000 1.314 193 R HN 0.567 nan 8.270 nan 0.000 0.622 194 P HA -0.197 nan 4.420 nan 0.000 0.221 194 P C 0.921 178.185 177.300 -0.060 0.000 1.145 194 P CA 1.128 64.196 63.100 -0.052 0.000 0.795 194 P CB 0.357 32.018 31.700 -0.064 0.000 0.775 195 E N -0.254 119.846 120.200 -0.167 0.000 2.265 195 E HA -0.160 4.181 4.350 -0.015 0.000 0.196 195 E C 0.701 177.069 176.600 -0.387 0.000 0.996 195 E CA 0.982 57.184 56.400 -0.329 0.000 0.832 195 E CB -0.957 28.428 29.700 -0.526 0.000 0.756 195 E HN 0.299 nan 8.360 nan 0.000 0.491 196 F N 1.961 121.935 119.950 0.041 0.000 2.730 196 F HA 0.240 4.758 4.527 -0.015 0.000 0.295 196 F C 0.356 176.266 175.800 0.183 0.000 1.143 196 F CA -0.344 57.718 58.000 0.103 0.000 1.367 196 F CB 0.258 39.319 39.000 0.103 0.000 0.970 196 F HN -0.298 nan 8.300 nan 0.000 0.514 197 T N 2.831 117.528 114.554 0.239 0.000 2.888 197 T HA 0.318 4.659 4.350 -0.015 0.000 0.301 197 T C -0.270 174.531 174.700 0.169 0.000 1.001 197 T CA 0.277 62.512 62.100 0.225 0.000 1.147 197 T CB 0.697 69.648 68.868 0.139 0.000 0.931 197 T HN -0.156 nan 8.240 nan 0.000 0.541 198 L N 5.930 127.227 121.223 0.123 0.000 2.401 198 L HA 0.551 4.882 4.340 -0.015 0.000 0.266 198 L C -2.274 174.556 176.870 -0.068 0.000 0.991 198 L CA -2.617 52.224 54.840 0.002 0.000 0.818 198 L CB 2.006 44.000 42.059 -0.108 0.000 1.321 198 L HN 0.373 nan 8.230 nan 0.000 0.413 199 P HA 0.343 nan 4.420 nan 0.000 0.285 199 P C -1.108 176.032 177.300 -0.266 0.000 1.259 199 P CA -0.340 62.662 63.100 -0.163 0.000 0.794 199 P CB 1.523 33.114 31.700 -0.183 0.000 0.940 200 V N 4.265 124.017 119.914 -0.271 0.000 2.495 200 V HA 0.317 4.428 4.120 -0.015 0.000 0.298 200 V C 0.255 176.104 176.094 -0.408 0.000 1.031 200 V CA -0.618 61.501 62.300 -0.301 0.000 0.871 200 V CB 1.274 32.996 31.823 -0.167 0.000 0.988 200 V HN 0.594 nan 8.190 nan 0.000 0.432 201 H N 3.992 122.898 119.070 -0.273 0.000 2.463 201 H HA 0.614 5.161 4.556 -0.015 0.000 0.332 201 H C -1.251 173.788 175.328 -0.481 0.000 1.127 201 H CA -0.154 55.660 56.048 -0.390 0.000 1.238 201 H CB 1.832 31.131 29.762 -0.772 0.000 1.478 201 H HN 0.478 nan 8.280 nan 0.000 0.499 202 F N 0.273 120.295 119.950 0.120 0.000 2.613 202 F HA 0.215 4.733 4.527 -0.015 0.000 0.314 202 F C -0.241 175.690 175.800 0.218 0.000 1.075 202 F CA -0.553 57.526 58.000 0.131 0.000 0.945 202 F CB 1.124 40.123 39.000 -0.000 0.000 1.310 202 F HN 0.560 nan 8.300 nan 0.000 0.467 203 Y N 0.203 120.804 120.300 0.501 0.000 2.904 203 Y HA -0.013 4.528 4.550 -0.015 0.000 0.466 203 Y C 1.350 177.499 175.900 0.415 0.000 1.202 203 Y CA 0.649 58.961 58.100 0.354 0.000 2.492 203 Y CB -1.913 36.682 38.460 0.226 0.000 1.237 203 Y HN 1.281 nan 8.280 nan 0.000 0.633 204 G N 0.657 109.727 108.800 0.451 0.000 2.593 204 G HA2 0.104 4.055 3.960 -0.015 0.000 0.237 204 G HA3 0.104 4.055 3.960 -0.015 0.000 0.237 204 G C -0.590 174.521 174.900 0.351 0.000 1.312 204 G CA 0.912 46.196 45.100 0.307 0.000 0.896 204 G HN 1.366 nan 8.290 nan 0.000 0.574 205 R N -2.587 118.116 120.500 0.339 0.000 2.752 205 R HA 0.706 5.037 4.340 -0.015 0.000 0.271 205 R C -1.374 175.068 176.300 0.237 0.000 1.026 205 R CA -1.014 55.232 56.100 0.243 0.000 0.901 205 R CB 1.345 31.733 30.300 0.147 0.000 1.243 205 R HN 0.870 nan 8.270 nan 0.000 0.463 206 V N 0.932 120.902 119.914 0.094 0.000 2.394 206 V HA 0.340 4.451 4.120 -0.015 0.000 0.282 206 V C -0.133 175.910 176.094 -0.084 0.000 1.031 206 V CA -0.488 61.796 62.300 -0.026 0.000 0.881 206 V CB 1.257 32.994 31.823 -0.143 0.000 0.982 206 V HN 0.702 nan 8.190 nan 0.000 0.451 207 E N 3.029 123.158 120.200 -0.120 0.000 2.179 207 E HA 0.422 4.763 4.350 -0.015 0.000 0.275 207 E C -1.008 175.447 176.600 -0.243 0.000 0.945 207 E CA -0.707 55.636 56.400 -0.094 0.000 0.792 207 E CB 0.968 30.657 29.700 -0.018 0.000 1.125 207 E HN 0.704 nan 8.360 nan 0.000 0.397 208 H N 1.975 121.059 119.070 0.023 0.000 2.476 208 H HA 0.264 4.811 4.556 -0.015 0.000 0.328 208 H C 0.018 175.354 175.328 0.014 0.000 1.073 208 H CA -0.371 55.685 56.048 0.014 0.000 1.229 208 H CB 1.602 31.367 29.762 0.006 0.000 1.432 208 H HN 0.579 nan 8.280 nan 0.000 0.477 209 T N -1.016 113.602 114.554 0.106 0.000 2.883 209 T HA 0.209 4.550 4.350 -0.015 0.000 0.284 209 T C 1.326 176.064 174.700 0.063 0.000 1.041 209 T CA -0.760 61.381 62.100 0.067 0.000 1.007 209 T CB 1.305 70.196 68.868 0.038 0.000 1.220 209 T HN 0.361 nan 8.240 nan 0.000 0.552 210 S N 0.100 115.826 115.700 0.043 0.000 2.387 210 S HA -0.090 4.372 4.470 -0.015 0.000 0.230 210 S C 0.971 175.592 174.600 0.035 0.000 1.035 210 S CA 1.326 59.546 58.200 0.034 0.000 1.014 210 S CB -0.389 62.826 63.200 0.025 0.000 0.836 210 S HN 0.675 nan 8.310 nan 0.000 0.466 211 Q N 0.403 120.223 119.800 0.034 0.000 2.788 211 Q HA 0.556 4.887 4.340 -0.015 0.000 0.278 211 Q C 0.218 176.239 176.000 0.035 0.000 1.126 211 Q CA 0.215 56.038 55.803 0.032 0.000 1.017 211 Q CB 0.454 29.207 28.738 0.026 0.000 1.219 211 Q HN 0.445 nan 8.270 nan 0.000 0.503 212 G N 0.408 109.238 108.800 0.050 0.000 2.756 212 G HA2 0.066 4.018 3.960 -0.015 0.000 0.678 212 G HA3 0.066 4.018 3.960 -0.015 0.000 0.678 212 G C -0.588 174.336 174.900 0.039 0.000 1.349 212 G CA -0.657 44.475 45.100 0.054 0.000 0.847 212 G HN 0.668 nan 8.290 nan 0.000 0.548 213 A N 0.489 123.315 122.820 0.010 0.000 2.371 213 A HA 0.714 5.025 4.320 -0.015 0.000 0.257 213 A C 0.494 178.028 177.584 -0.083 0.000 1.089 213 A CA 0.286 52.250 52.037 -0.121 0.000 0.794 213 A CB 0.600 19.488 19.000 -0.187 0.000 1.029 213 A HN 0.749 nan 8.150 nan 0.000 0.488 214 K N 0.802 121.144 120.400 -0.097 0.000 2.427 214 K HA 0.199 4.510 4.320 -0.015 0.000 0.252 214 K C -1.841 174.792 176.600 0.055 0.000 0.931 214 K CA -0.339 55.939 56.287 -0.015 0.000 0.793 214 K CB 2.221 34.715 32.500 -0.011 0.000 1.211 214 K HN 0.753 nan 8.250 nan 0.000 0.426 215 W N 5.208 126.424 121.300 -0.140 0.000 2.308 215 W HA 0.350 5.001 4.660 -0.015 0.000 0.311 215 W C -0.617 175.836 176.519 -0.109 0.000 1.088 215 W CA -0.826 56.441 57.345 -0.130 0.000 1.309 215 W CB 0.108 29.476 29.460 -0.154 0.000 1.229 215 W HN 0.306 nan 8.180 nan 0.000 0.427 216 V N 2.789 122.747 119.914 0.073 0.000 3.126 216 V HA 0.608 4.719 4.120 -0.015 0.000 0.314 216 V C -0.110 175.956 176.094 -0.046 0.000 1.138 216 V CA -0.944 61.327 62.300 -0.050 0.000 1.034 216 V CB 2.000 33.824 31.823 0.002 0.000 1.075 216 V HN 0.458 nan 8.190 nan 0.000 0.442 217 D N 0.294 120.667 120.400 -0.045 0.000 2.772 217 D HA -0.140 4.491 4.640 -0.015 0.000 0.233 217 D C 0.550 176.848 176.300 -0.004 0.000 1.143 217 D CA 1.529 55.525 54.000 -0.007 0.000 0.700 217 D CB -1.579 39.240 40.800 0.032 0.000 1.076 217 D HN 1.312 nan 8.370 nan 0.000 0.430 218 T N -2.876 111.626 114.554 -0.085 0.000 2.899 218 T HA 0.473 4.814 4.350 -0.015 0.000 0.284 218 T C 0.491 175.236 174.700 0.075 0.000 1.004 218 T CA -0.732 61.332 62.100 -0.061 0.000 1.043 218 T CB 2.017 70.670 68.868 -0.357 0.000 1.013 218 T HN 0.036 nan 8.240 nan 0.000 0.518 219 Q N 0.593 120.512 119.800 0.198 0.000 2.259 219 Q HA 0.543 4.874 4.340 -0.015 0.000 0.249 219 Q C -0.873 175.251 176.000 0.207 0.000 0.914 219 Q CA -0.810 55.129 55.803 0.227 0.000 0.904 219 Q CB 1.649 30.593 28.738 0.343 0.000 1.213 219 Q HN 0.513 nan 8.270 nan 0.000 0.428 220 V N 3.015 123.016 119.914 0.145 0.000 2.398 220 V HA 0.380 4.491 4.120 -0.015 0.000 0.286 220 V C -0.399 175.794 176.094 0.165 0.000 1.026 220 V CA -0.619 61.704 62.300 0.038 0.000 0.868 220 V CB 1.729 33.519 31.823 -0.055 0.000 0.982 220 V HN 0.485 nan 8.190 nan 0.000 0.443 221 V N 6.113 126.143 119.914 0.194 0.000 2.555 221 V HA 0.490 4.601 4.120 -0.015 0.000 0.302 221 V C -0.109 176.096 176.094 0.186 0.000 1.038 221 V CA -0.664 61.772 62.300 0.226 0.000 0.887 221 V CB 1.921 33.944 31.823 0.333 0.000 0.991 221 V HN 0.634 nan 8.190 nan 0.000 0.434 222 L N 3.523 124.848 121.223 0.169 0.000 2.375 222 L HA 0.721 5.052 4.340 -0.015 0.000 0.271 222 L C 0.465 177.523 176.870 0.314 0.000 1.107 222 L CA -0.270 54.670 54.840 0.167 0.000 0.806 222 L CB 1.234 43.370 42.059 0.128 0.000 1.146 222 L HN 0.760 nan 8.230 nan 0.000 0.447 223 A N 5.031 127.987 122.820 0.228 0.000 2.267 223 A HA 0.597 4.908 4.320 -0.015 0.000 0.315 223 A C -0.523 177.334 177.584 0.455 0.000 1.297 223 A CA -0.468 51.740 52.037 0.285 0.000 0.865 223 A CB 0.957 19.698 19.000 -0.431 0.000 1.165 223 A HN 0.778 nan 8.150 nan 0.000 0.513 224 M N 5.878 125.809 119.600 0.550 0.000 2.149 224 M HA 0.462 4.933 4.480 -0.015 0.000 0.342 224 M C -2.636 173.935 176.300 0.451 0.000 1.068 224 M CA -2.196 53.368 55.300 0.439 0.000 0.991 224 M CB 2.077 34.854 32.600 0.294 0.000 1.596 224 M HN 0.344 nan 8.290 nan 0.000 0.439 225 P HA 0.249 nan 4.420 nan 0.000 0.282 225 P C -1.914 175.322 177.300 -0.107 0.000 1.249 225 P CA 0.019 63.021 63.100 -0.164 0.000 0.806 225 P CB 0.481 31.887 31.700 -0.491 0.000 0.984 226 Y N 0.480 120.712 120.300 -0.113 0.000 2.331 226 Y HA 0.320 4.861 4.550 -0.015 0.000 0.334 226 Y C 0.187 176.065 175.900 -0.036 0.000 0.960 226 Y CA -0.349 57.740 58.100 -0.018 0.000 1.130 226 Y CB 1.272 39.756 38.460 0.040 0.000 1.164 226 Y HN 0.212 nan 8.280 nan 0.000 0.458 227 D N 2.011 122.505 120.400 0.156 0.000 2.198 227 D HA 0.376 5.007 4.640 -0.015 0.000 0.245 227 D C -0.557 175.957 176.300 0.357 0.000 1.079 227 D CA -0.170 53.961 54.000 0.217 0.000 0.854 227 D CB 1.663 42.611 40.800 0.247 0.000 1.148 227 D HN 0.374 nan 8.370 nan 0.000 0.456 228 T N 3.419 118.095 114.554 0.204 0.000 2.807 228 T HA 0.460 4.801 4.350 -0.015 0.000 0.279 228 T C -2.495 172.066 174.700 -0.232 0.000 0.993 228 T CA -1.494 60.637 62.100 0.052 0.000 0.970 228 T CB 1.979 70.867 68.868 0.033 0.000 0.950 228 T HN 0.170 nan 8.240 nan 0.000 0.441 229 P HA 0.294 nan 4.420 nan 0.000 0.275 229 P C -0.988 175.981 177.300 -0.553 0.000 1.227 229 P CA -0.385 62.048 63.100 -1.111 0.000 0.781 229 P CB 0.792 31.636 31.700 -1.427 0.000 0.906 230 V N 5.230 124.877 119.914 -0.444 0.000 2.305 230 V HA 0.262 4.374 4.120 -0.015 0.000 0.275 230 V C -2.096 173.861 176.094 -0.228 0.000 1.020 230 V CA -1.927 60.206 62.300 -0.277 0.000 0.811 230 V CB 1.239 32.946 31.823 -0.194 0.000 1.031 230 V HN 0.535 nan 8.190 nan 0.000 0.439 231 P HA 0.281 nan 4.420 nan 0.000 0.285 231 P C 0.431 177.676 177.300 -0.091 0.000 1.259 231 P CA 0.270 63.277 63.100 -0.154 0.000 0.794 231 P CB 1.529 33.136 31.700 -0.155 0.000 0.940 232 G N 2.215 110.979 108.800 -0.059 0.000 2.606 232 G HA2 0.080 4.031 3.960 -0.015 0.000 0.252 232 G HA3 0.080 4.031 3.960 -0.015 0.000 0.252 232 G C -1.073 173.835 174.900 0.013 0.000 1.206 232 G CA -0.510 44.583 45.100 -0.011 0.000 0.861 232 G HN 0.519 nan 8.290 nan 0.000 0.561 233 Y N 0.729 120.989 120.300 -0.066 0.000 2.674 233 Y HA 0.249 4.790 4.550 -0.015 0.000 0.354 233 Y C 1.223 177.085 175.900 -0.062 0.000 1.089 233 Y CA -0.192 57.865 58.100 -0.071 0.000 1.444 233 Y CB 0.043 38.459 38.460 -0.073 0.000 1.187 233 Y HN 0.720 nan 8.280 nan 0.000 0.523 234 R N 2.708 122.927 120.500 -0.468 0.000 3.627 234 R HA -0.317 4.014 4.340 -0.015 0.000 0.281 234 R C 0.020 176.191 176.300 -0.216 0.000 1.140 234 R CA 1.454 57.298 56.100 -0.425 0.000 0.761 234 R CB -1.950 27.941 30.300 -0.682 0.000 1.181 234 R HN 0.945 nan 8.270 nan 0.000 0.472 235 N N -1.311 117.310 118.700 -0.131 0.000 2.177 235 N HA 0.067 4.798 4.740 -0.015 0.000 0.218 235 N C -0.188 175.278 175.510 -0.074 0.000 1.182 235 N CA -0.342 52.661 53.050 -0.079 0.000 0.882 235 N CB 0.510 38.975 38.487 -0.037 0.000 1.052 235 N HN 0.084 nan 8.380 nan 0.000 0.519 236 N N -0.231 118.420 118.700 -0.082 0.000 2.778 236 N HA -0.140 4.591 4.740 -0.015 0.000 0.249 236 N C -0.889 174.581 175.510 -0.067 0.000 1.069 236 N CA 0.599 53.608 53.050 -0.068 0.000 0.831 236 N CB -1.315 37.133 38.487 -0.065 0.000 1.142 236 N HN 0.205 nan 8.380 nan 0.000 0.573 237 V N 1.214 121.092 119.914 -0.061 0.000 2.498 237 V HA 0.378 4.489 4.120 -0.015 0.000 0.279 237 V C 0.583 176.648 176.094 -0.048 0.000 1.048 237 V CA -0.416 61.855 62.300 -0.048 0.000 0.967 237 V CB 2.006 33.823 31.823 -0.011 0.000 0.988 237 V HN -0.026 nan 8.190 nan 0.000 0.473 238 V N 5.663 125.556 119.914 -0.035 0.000 2.419 238 V HA 0.442 4.553 4.120 -0.015 0.000 0.287 238 V C -0.067 176.024 176.094 -0.003 0.000 1.017 238 V CA -0.870 61.382 62.300 -0.080 0.000 0.844 238 V CB 1.471 33.220 31.823 -0.124 0.000 1.011 238 V HN 0.835 nan 8.190 nan 0.000 0.429 239 N N 1.969 120.635 118.700 -0.056 0.000 2.476 239 N HA 0.569 5.300 4.740 -0.015 0.000 0.287 239 N C -0.071 175.426 175.510 -0.021 0.000 1.262 239 N CA -0.311 52.730 53.050 -0.016 0.000 0.980 239 N CB 1.235 39.668 38.487 -0.090 0.000 1.163 239 N HN 0.579 nan 8.380 nan 0.000 0.592 240 T N 0.774 115.325 114.554 -0.006 0.000 2.824 240 T HA 0.387 4.728 4.350 -0.015 0.000 0.282 240 T C -0.241 174.421 174.700 -0.064 0.000 0.993 240 T CA -0.505 61.655 62.100 0.100 0.000 0.967 240 T CB 1.045 70.087 68.868 0.290 0.000 0.960 240 T HN 0.298 nan 8.240 nan 0.000 0.441 241 M N 3.901 123.427 119.600 -0.123 0.000 2.101 241 M HA 0.496 4.967 4.480 -0.015 0.000 0.340 241 M C -0.443 175.702 176.300 -0.258 0.000 1.057 241 M CA -0.724 54.413 55.300 -0.271 0.000 0.984 241 M CB 0.637 33.017 32.600 -0.367 0.000 1.560 241 M HN 0.483 nan 8.290 nan 0.000 0.435 242 R N 6.023 126.258 120.500 -0.443 0.000 2.265 242 R HA 0.610 4.941 4.340 -0.015 0.000 0.328 242 R C -1.958 174.034 176.300 -0.513 0.000 0.969 242 R CA -0.431 55.354 56.100 -0.525 0.000 0.832 242 R CB 0.851 30.658 30.300 -0.822 0.000 1.139 242 R HN 0.816 nan 8.270 nan 0.000 0.457 243 L N 5.111 126.148 121.223 -0.310 0.000 2.313 243 L HA 0.495 4.826 4.340 -0.015 0.000 0.283 243 L C -0.824 176.001 176.870 -0.075 0.000 1.013 243 L CA -0.911 53.851 54.840 -0.130 0.000 0.816 243 L CB 1.467 43.542 42.059 0.026 0.000 1.236 243 L HN 0.580 nan 8.230 nan 0.000 0.419 244 W N 1.979 123.398 121.300 0.198 0.000 2.315 244 W HA 0.450 5.101 4.660 -0.015 0.000 0.316 244 W C 0.595 177.343 176.519 0.381 0.000 1.211 244 W CA -0.149 57.337 57.345 0.235 0.000 1.201 244 W CB 1.399 30.847 29.460 -0.020 0.000 1.184 244 W HN 0.347 nan 8.180 nan 0.000 0.544 245 S N 1.938 118.043 115.700 0.675 0.000 2.472 245 S HA 0.759 5.220 4.470 -0.015 0.000 0.303 245 S C -0.370 174.575 174.600 0.574 0.000 1.099 245 S CA -0.727 57.779 58.200 0.509 0.000 1.077 245 S CB 0.607 64.043 63.200 0.393 0.000 1.031 245 S HN 0.515 nan 8.310 nan 0.000 0.487 246 A N 4.929 127.923 122.820 0.290 0.000 2.366 246 A HA 0.646 4.957 4.320 -0.015 0.000 0.272 246 A C -0.267 177.384 177.584 0.111 0.000 1.135 246 A CA -0.280 51.814 52.037 0.095 0.000 0.804 246 A CB 0.287 19.066 19.000 -0.368 0.000 1.064 246 A HN 0.648 nan 8.150 nan 0.000 0.499 247 K N 1.284 121.769 120.400 0.142 0.000 2.427 247 K HA 0.598 4.909 4.320 -0.015 0.000 0.252 247 K C -0.359 176.258 176.600 0.027 0.000 0.931 247 K CA -0.428 55.907 56.287 0.080 0.000 0.793 247 K CB 2.189 34.763 32.500 0.124 0.000 1.211 247 K HN 0.809 nan 8.250 nan 0.000 0.426 248 A N 4.211 126.991 122.820 -0.068 0.000 2.425 248 A HA 0.387 4.698 4.320 -0.015 0.000 0.249 248 A C -1.995 175.592 177.584 0.005 0.000 1.084 248 A CA -0.847 51.107 52.037 -0.137 0.000 0.781 248 A CB -0.456 18.286 19.000 -0.430 0.000 1.019 248 A HN 0.358 nan 8.150 nan 0.000 0.490 249 P HA 0.115 nan 4.420 nan 0.000 0.274 249 P C 0.098 177.482 177.300 0.141 0.000 1.231 249 P CA -0.430 62.742 63.100 0.120 0.000 0.790 249 P CB 0.639 32.425 31.700 0.143 0.000 0.951 250 N N 1.030 119.793 118.700 0.105 0.000 2.396 250 N HA -0.120 4.611 4.740 -0.015 0.000 0.180 250 N C 0.692 176.276 175.510 0.122 0.000 1.028 250 N CA 1.103 54.214 53.050 0.101 0.000 0.893 250 N CB -0.459 38.070 38.487 0.071 0.000 0.967 250 N HN 0.570 nan 8.380 nan 0.000 0.440 251 D N -0.957 119.514 120.400 0.119 0.000 2.325 251 D HA -0.064 4.567 4.640 -0.015 0.000 0.234 251 D C 0.157 176.527 176.300 0.117 0.000 1.122 251 D CA -0.456 53.604 54.000 0.100 0.000 0.850 251 D CB -0.894 39.944 40.800 0.065 0.000 0.921 251 D HN 0.076 nan 8.370 nan 0.000 0.513 252 F N 2.007 121.971 119.950 0.022 0.000 2.608 252 F HA 0.040 4.558 4.527 -0.015 0.000 0.380 252 F C 1.177 176.983 175.800 0.009 0.000 1.083 252 F CA 0.502 58.512 58.000 0.017 0.000 1.266 252 F CB 0.053 39.062 39.000 0.015 0.000 1.076 252 F HN 0.098 nan 8.300 nan 0.000 0.574 253 N N 2.840 121.151 118.700 -0.649 0.000 2.717 253 N HA -0.287 4.444 4.740 -0.015 0.000 0.248 253 N C -0.656 174.773 175.510 -0.135 0.000 1.099 253 N CA 0.875 53.665 53.050 -0.434 0.000 0.843 253 N CB -0.757 37.499 38.487 -0.385 0.000 1.155 253 N HN 0.456 nan 8.380 nan 0.000 0.580 259 V N 1.986 121.943 119.914 0.072 0.000 2.407 259 V HA 0.033 4.144 4.120 -0.015 0.000 0.245 259 V C 2.375 178.550 176.094 0.135 0.000 1.041 259 V CA 2.217 64.584 62.300 0.111 0.000 1.040 259 V CB -0.666 31.199 31.823 0.070 0.000 0.671 259 V HN 0.831 nan 8.190 nan 0.000 0.455 260 G N 0.462 109.311 108.800 0.082 0.000 2.440 260 G HA2 -0.164 3.787 3.960 -0.015 0.000 0.218 260 G HA3 -0.164 3.787 3.960 -0.015 0.000 0.218 260 G C 1.618 176.554 174.900 0.059 0.000 1.154 260 G CA 1.046 46.183 45.100 0.061 0.000 0.767 260 G HN 0.576 nan 8.290 nan 0.000 0.552 261 G N -0.124 108.717 108.800 0.068 0.000 2.421 261 G HA2 -0.247 3.704 3.960 -0.015 0.000 0.216 261 G HA3 -0.247 3.704 3.960 -0.015 0.000 0.216 261 G C 1.618 176.568 174.900 0.083 0.000 1.171 261 G CA 1.148 46.284 45.100 0.061 0.000 0.775 261 G HN 0.439 nan 8.290 nan 0.000 0.543 262 Y N 1.367 121.677 120.300 0.016 0.000 2.097 262 Y HA -0.170 4.371 4.550 -0.015 0.000 0.282 262 Y C 2.611 178.530 175.900 0.032 0.000 1.152 262 Y CA 1.368 59.482 58.100 0.023 0.000 1.136 262 Y CB -0.208 38.264 38.460 0.019 0.000 0.975 262 Y HN 0.101 nan 8.280 nan 0.000 0.498 263 I N 0.512 121.042 120.570 -0.067 0.000 2.163 263 I HA -0.317 3.844 4.170 -0.015 0.000 0.243 263 I C 2.406 178.437 176.117 -0.143 0.000 1.085 263 I CA 1.872 63.081 61.300 -0.152 0.000 1.347 263 I CB -1.497 36.513 38.000 0.016 0.000 1.044 263 I HN 0.348 nan 8.210 nan 0.000 0.408 264 Q N 1.072 120.837 119.800 -0.059 0.000 2.096 264 Q HA -0.133 4.198 4.340 -0.015 0.000 0.204 264 Q C 2.250 178.236 176.000 -0.023 0.000 0.982 264 Q CA 2.306 58.092 55.803 -0.027 0.000 0.850 264 Q CB -0.385 28.352 28.738 -0.000 0.000 0.901 264 Q HN 0.483 nan 8.270 nan 0.000 0.422 265 A N -0.763 122.028 122.820 -0.048 0.000 1.908 265 A HA -0.159 4.153 4.320 -0.015 0.000 0.218 265 A C 2.270 179.872 177.584 0.030 0.000 1.181 265 A CA 1.754 53.789 52.037 -0.003 0.000 0.627 265 A CB -0.862 18.120 19.000 -0.029 0.000 0.818 265 A HN 0.273 nan 8.150 nan 0.000 0.445 266 V N 0.124 119.953 119.914 -0.142 0.000 2.343 266 V HA -0.240 3.872 4.120 -0.015 0.000 0.247 266 V C 2.522 178.581 176.094 -0.058 0.000 1.051 266 V CA 1.905 64.128 62.300 -0.130 0.000 1.036 266 V CB -0.742 30.909 31.823 -0.287 0.000 0.654 266 V HN 0.573 nan 8.190 nan 0.000 0.451 267 L N -0.278 120.913 121.223 -0.052 0.000 2.141 267 L HA -0.135 4.196 4.340 -0.015 0.000 0.209 267 L C 2.085 178.956 176.870 0.001 0.000 1.094 267 L CA 1.165 55.989 54.840 -0.027 0.000 0.763 267 L CB -0.685 41.362 42.059 -0.020 0.000 0.908 267 L HN 0.319 nan 8.230 nan 0.000 0.437 268 D N 0.149 120.590 120.400 0.068 0.000 2.350 268 D HA -0.098 4.533 4.640 -0.015 0.000 0.216 268 D C 2.172 178.501 176.300 0.050 0.000 0.968 268 D CA 0.562 54.655 54.000 0.155 0.000 0.894 268 D CB -0.025 40.952 40.800 0.295 0.000 0.909 268 D HN 0.217 nan 8.370 nan 0.000 0.520 269 R N 0.274 120.676 120.500 -0.163 0.000 2.159 269 R HA -0.067 4.264 4.340 -0.015 0.000 0.237 269 R C 1.748 177.818 176.300 -0.383 0.000 1.131 269 R CA 0.896 56.631 56.100 -0.610 0.000 0.982 269 R CB -0.268 29.813 30.300 -0.365 0.000 0.868 269 R HN 0.355 nan 8.270 nan 0.000 0.453 270 N N 0.232 118.827 118.700 -0.176 0.000 2.192 270 N HA -0.193 4.538 4.740 -0.015 0.000 0.188 270 N C 1.229 176.684 175.510 -0.092 0.000 1.013 270 N CA 0.756 53.746 53.050 -0.100 0.000 0.863 270 N CB -0.083 38.379 38.487 -0.041 0.000 0.990 270 N HN 0.024 nan 8.380 nan 0.000 0.430 271 L N 1.026 122.199 121.223 -0.084 0.000 2.046 271 L HA -0.119 4.212 4.340 -0.015 0.000 0.208 271 L C 2.435 179.265 176.870 -0.067 0.000 1.077 271 L CA 1.395 56.216 54.840 -0.031 0.000 0.747 271 L CB -1.032 41.062 42.059 0.058 0.000 0.896 271 L HN 0.151 nan 8.230 nan 0.000 0.432 272 A N -0.912 121.816 122.820 -0.153 0.000 1.930 272 A HA -0.158 4.153 4.320 -0.015 0.000 0.217 272 A C 2.135 179.634 177.584 -0.141 0.000 1.175 272 A CA 1.318 53.270 52.037 -0.141 0.000 0.627 272 A CB -0.404 18.466 19.000 -0.218 0.000 0.815 272 A HN 0.524 nan 8.150 nan 0.000 0.443 273 E N 0.035 120.152 120.200 -0.138 0.000 2.427 273 E HA -0.076 4.265 4.350 -0.015 0.000 0.196 273 E C 1.031 177.598 176.600 -0.055 0.000 1.028 273 E CA 0.239 56.585 56.400 -0.091 0.000 0.864 273 E CB -0.154 29.505 29.700 -0.068 0.000 0.813 273 E HN 0.458 nan 8.360 nan 0.000 0.514 274 N N 1.175 119.847 118.700 -0.047 0.000 2.364 274 N HA -0.113 4.618 4.740 -0.015 0.000 0.183 274 N C 1.639 177.147 175.510 -0.002 0.000 1.022 274 N CA 0.681 53.730 53.050 -0.001 0.000 0.883 274 N CB -0.087 38.401 38.487 0.002 0.000 0.965 274 N HN 0.259 nan 8.380 nan 0.000 0.438 275 I N 0.377 120.891 120.570 -0.093 0.000 2.194 275 I HA -0.259 3.902 4.170 -0.015 0.000 0.246 275 I C 1.523 177.607 176.117 -0.056 0.000 1.093 275 I CA 1.327 62.540 61.300 -0.145 0.000 1.355 275 I CB -0.203 37.554 38.000 -0.405 0.000 1.046 275 I HN 0.141 nan 8.210 nan 0.000 0.413 276 S N -0.566 115.098 115.700 -0.061 0.000 2.582 276 S HA 0.170 4.631 4.470 -0.015 0.000 0.234 276 S C 1.532 176.272 174.600 0.234 0.000 0.961 276 S CA -0.502 57.750 58.200 0.088 0.000 0.953 276 S CB 0.204 63.438 63.200 0.057 0.000 0.800 276 S HN 0.214 nan 8.310 nan 0.000 0.471 277 R N 1.289 121.926 120.500 0.229 0.000 2.073 277 R HA 0.265 4.596 4.340 -0.015 0.000 0.229 277 R C 0.338 176.897 176.300 0.432 0.000 1.120 277 R CA 1.081 57.357 56.100 0.294 0.000 0.967 277 R CB -0.198 30.240 30.300 0.230 0.000 0.862 277 R HN 0.383 nan 8.270 nan 0.000 0.436 278 V N 0.553 120.683 119.914 0.360 0.000 2.851 278 V HA 0.337 4.448 4.120 -0.015 0.000 0.307 278 V C -1.547 174.509 176.094 -0.062 0.000 1.129 278 V CA -1.383 61.044 62.300 0.211 0.000 0.932 278 V CB 1.729 33.597 31.823 0.075 0.000 1.024 278 V HN 0.152 nan 8.190 nan 0.000 0.426 279 L N 7.212 128.161 121.223 -0.456 0.000 2.462 279 L HA 0.416 4.747 4.340 -0.015 0.000 0.272 279 L C -0.789 175.911 176.870 -0.283 0.000 1.166 279 L CA 0.534 54.895 54.840 -0.798 0.000 0.880 279 L CB 0.280 41.839 42.059 -0.834 0.000 1.142 279 L HN 0.675 nan 8.230 nan 0.000 0.473 280 Y N 7.110 127.302 120.300 -0.180 0.000 2.569 280 Y HA 0.187 4.728 4.550 -0.015 0.000 0.332 280 Y C -1.334 174.551 175.900 -0.025 0.000 1.120 280 Y CA -1.194 56.880 58.100 -0.044 0.000 1.416 280 Y CB 0.331 38.789 38.460 -0.004 0.000 1.210 280 Y HN 0.581 nan 8.280 nan 0.000 0.528 281 P HA 0.021 nan 4.420 nan 0.000 0.249 281 P C -0.808 176.626 177.300 0.224 0.000 1.544 281 P CA 0.080 63.285 63.100 0.174 0.000 0.932 281 P CB 0.101 31.987 31.700 0.309 0.000 1.524 282 N N 1.632 120.468 118.700 0.228 0.000 2.415 282 N HA 0.089 4.820 4.740 -0.015 0.000 0.246 282 N C -0.507 175.144 175.510 0.235 0.000 1.078 282 N CA 0.291 53.495 53.050 0.258 0.000 0.942 282 N CB 0.387 39.032 38.487 0.262 0.000 1.140 282 N HN 0.101 nan 8.380 nan 0.000 0.501 283 D N 1.504 122.065 120.400 0.269 0.000 2.313 283 D HA 0.159 4.790 4.640 -0.015 0.000 0.239 283 D C -0.247 176.258 176.300 0.342 0.000 1.142 283 D CA -0.236 53.922 54.000 0.263 0.000 0.847 283 D CB 0.158 41.108 40.800 0.249 0.000 1.082 283 D HN 0.298 nan 8.370 nan 0.000 0.480 284 N N 3.304 122.174 118.700 0.282 0.000 2.671 284 N HA -0.252 4.479 4.740 -0.015 0.000 0.261 284 N C -1.295 174.462 175.510 0.411 0.000 1.053 284 N CA 0.666 53.877 53.050 0.268 0.000 0.732 284 N CB -0.725 37.857 38.487 0.158 0.000 0.887 284 N HN 0.349 nan 8.380 nan 0.000 0.546 285 F N 0.630 120.679 119.950 0.165 0.000 2.746 285 F HA 0.502 5.020 4.527 -0.015 0.000 0.311 285 F C -1.901 173.992 175.800 0.154 0.000 1.135 285 F CA -1.190 56.889 58.000 0.133 0.000 0.954 285 F CB 0.929 39.968 39.000 0.065 0.000 1.276 285 F HN -0.023 nan 8.300 nan 0.000 0.440 286 F N 4.044 123.385 119.950 -1.015 0.000 2.482 286 F HA 0.635 5.153 4.527 -0.015 0.000 0.331 286 F C -1.042 174.236 175.800 -0.871 0.000 1.115 286 F CA -0.219 57.331 58.000 -0.750 0.000 0.955 286 F CB 1.381 40.054 39.000 -0.544 0.000 1.136 286 F HN 0.553 nan 8.300 nan 0.000 0.452 287 E N 3.439 122.823 120.200 -1.360 0.000 2.216 287 E HA 0.339 4.680 4.350 -0.015 0.000 0.260 287 E C -0.167 175.612 176.600 -1.368 0.000 0.880 287 E CA -0.762 54.994 56.400 -1.074 0.000 0.765 287 E CB 1.576 31.039 29.700 -0.395 0.000 1.174 287 E HN 0.904 nan 8.360 nan 0.000 0.417 288 G N 4.965 113.016 108.800 -1.249 0.000 3.284 288 G HA2 -0.000 3.951 3.960 -0.015 0.000 0.251 288 G HA3 -0.000 3.951 3.960 -0.015 0.000 0.251 288 G C -0.001 174.868 174.900 -0.052 0.000 0.913 288 G CA -0.126 44.524 45.100 -0.750 0.000 1.947 288 G HN 0.165 nan 8.290 nan 0.000 0.635 289 K N 0.569 120.961 120.400 -0.014 0.000 2.172 289 K HA 0.151 4.462 4.320 -0.015 0.000 0.276 289 K C 1.012 177.740 176.600 0.213 0.000 1.013 289 K CA -0.527 55.828 56.287 0.113 0.000 0.913 289 K CB 2.137 34.693 32.500 0.093 0.000 1.055 289 K HN 0.456 nan 8.250 nan 0.000 0.461 290 E N 2.044 122.339 120.200 0.157 0.000 2.058 290 E HA -0.225 4.116 4.350 -0.015 0.000 0.194 290 E C 1.535 178.157 176.600 0.037 0.000 0.997 290 E CA 1.094 57.541 56.400 0.078 0.000 0.801 290 E CB 0.144 29.894 29.700 0.083 0.000 0.746 290 E HN 0.415 nan 8.360 nan 0.000 0.450 291 L N 1.354 122.640 121.223 0.105 0.000 2.079 291 L HA -0.189 4.142 4.340 -0.015 0.000 0.210 291 L C 2.478 179.430 176.870 0.137 0.000 1.081 291 L CA 1.851 56.771 54.840 0.133 0.000 0.752 291 L CB -0.545 41.657 42.059 0.238 0.000 0.896 291 L HN 0.024 nan 8.230 nan 0.000 0.433 292 R N -0.572 119.951 120.500 0.038 0.000 2.081 292 R HA -0.169 4.162 4.340 -0.015 0.000 0.235 292 R C 2.119 178.438 176.300 0.031 0.000 1.131 292 R CA 1.934 57.966 56.100 -0.114 0.000 0.960 292 R CB -1.068 28.956 30.300 -0.460 0.000 0.856 292 R HN 0.417 nan 8.270 nan 0.000 0.436 293 L N 0.880 122.040 121.223 -0.104 0.000 2.083 293 L HA -0.076 4.255 4.340 -0.015 0.000 0.209 293 L C 1.715 178.517 176.870 -0.113 0.000 1.083 293 L CA 1.907 56.486 54.840 -0.434 0.000 0.752 293 L CB -0.417 41.079 42.059 -0.939 0.000 0.899 293 L HN 0.161 nan 8.230 nan 0.000 0.433 294 K N -1.008 119.374 120.400 -0.030 0.000 2.057 294 K HA -0.187 4.124 4.320 -0.015 0.000 0.207 294 K C 2.090 178.845 176.600 0.258 0.000 1.049 294 K CA 1.715 58.056 56.287 0.089 0.000 0.931 294 K CB -0.170 32.207 32.500 -0.206 0.000 0.714 294 K HN 0.511 nan 8.250 nan 0.000 0.440 295 Q N 0.628 120.547 119.800 0.198 0.000 2.084 295 Q HA -0.190 4.141 4.340 -0.015 0.000 0.202 295 Q C 1.936 178.131 176.000 0.326 0.000 0.978 295 Q CA 1.430 57.409 55.803 0.293 0.000 0.844 295 Q CB -0.017 28.911 28.738 0.317 0.000 0.898 295 Q HN 0.386 nan 8.270 nan 0.000 0.426 296 E N -0.218 120.124 120.200 0.236 0.000 2.077 296 E HA -0.213 4.128 4.350 -0.015 0.000 0.193 296 E C 1.723 178.435 176.600 0.187 0.000 0.989 296 E CA 1.072 57.594 56.400 0.204 0.000 0.800 296 E CB -0.124 29.670 29.700 0.157 0.000 0.746 296 E HN 0.332 nan 8.360 nan 0.000 0.452 297 Y N 0.339 120.686 120.300 0.078 0.000 2.243 297 Y HA -0.180 4.361 4.550 -0.015 0.000 0.293 297 Y C 1.965 177.899 175.900 0.057 0.000 1.124 297 Y CA 0.916 59.017 58.100 0.001 0.000 1.159 297 Y CB -0.369 38.055 38.460 -0.061 0.000 1.008 297 Y HN 0.005 nan 8.280 nan 0.000 0.527 298 F N -0.182 119.766 119.950 -0.004 0.000 2.065 298 F HA -0.275 4.243 4.527 -0.015 0.000 0.298 298 F C 2.479 178.137 175.800 -0.236 0.000 1.112 298 F CA 2.104 60.054 58.000 -0.083 0.000 1.212 298 F CB -1.072 38.029 39.000 0.168 0.000 0.975 298 F HN -0.041 nan 8.300 nan 0.000 0.476 299 V N -0.519 119.342 119.914 -0.088 0.000 2.427 299 V HA -0.192 3.919 4.120 -0.015 0.000 0.248 299 V C 2.175 178.114 176.094 -0.259 0.000 1.051 299 V CA 1.923 64.138 62.300 -0.142 0.000 1.048 299 V CB -0.372 31.574 31.823 0.205 0.000 0.666 299 V HN 0.260 nan 8.190 nan 0.000 0.456 300 V N 0.457 120.229 119.914 -0.237 0.000 2.307 300 V HA -0.158 3.954 4.120 -0.015 0.000 0.245 300 V C 2.819 178.663 176.094 -0.417 0.000 1.045 300 V CA 2.110 64.261 62.300 -0.249 0.000 1.024 300 V CB -1.043 30.696 31.823 -0.141 0.000 0.651 300 V HN 0.643 nan 8.190 nan 0.000 0.449 301 A N -0.182 122.225 122.820 -0.687 0.000 1.898 301 A HA -0.081 4.230 4.320 -0.015 0.000 0.216 301 A C 2.389 179.611 177.584 -0.604 0.000 1.181 301 A CA 2.048 53.675 52.037 -0.682 0.000 0.620 301 A CB -0.767 17.625 19.000 -1.013 0.000 0.819 301 A HN 0.556 nan 8.150 nan 0.000 0.442 302 A N -1.095 121.206 122.820 -0.864 0.000 1.898 302 A HA -0.043 4.268 4.320 -0.015 0.000 0.216 302 A C 2.306 179.402 177.584 -0.812 0.000 1.181 302 A CA 2.209 53.551 52.037 -1.158 0.000 0.620 302 A CB -1.224 16.438 19.000 -2.232 0.000 0.819 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.468 114.681 114.554 -0.569 0.000 2.708 303 T HA -0.094 4.247 4.350 -0.015 0.000 0.266 303 T C 1.816 176.248 174.700 -0.447 0.000 1.037 303 T CA 1.483 63.365 62.100 -0.364 0.000 1.146 303 T CB -0.379 68.279 68.868 -0.351 0.000 0.865 303 T HN 0.335 nan 8.240 nan 0.000 0.435 304 L N 0.696 121.703 121.223 -0.360 0.000 2.131 304 L HA -0.143 4.188 4.340 -0.015 0.000 0.210 304 L C 2.890 179.643 176.870 -0.195 0.000 1.092 304 L CA 1.300 55.977 54.840 -0.272 0.000 0.759 304 L CB -0.483 41.457 42.059 -0.198 0.000 0.903 304 L HN 0.349 nan 8.230 nan 0.000 0.435 305 Q N -0.590 119.096 119.800 -0.190 0.000 2.084 305 Q HA -0.241 4.090 4.340 -0.015 0.000 0.202 305 Q C 1.754 177.728 176.000 -0.043 0.000 0.978 305 Q CA 1.654 57.400 55.803 -0.096 0.000 0.844 305 Q CB -0.108 28.564 28.738 -0.110 0.000 0.898 305 Q HN 0.394 nan 8.270 nan 0.000 0.426 306 D N 0.592 120.957 120.400 -0.059 0.000 2.117 306 D HA -0.110 4.521 4.640 -0.015 0.000 0.197 306 D C 1.694 177.928 176.300 -0.109 0.000 0.987 306 D CA 0.883 54.884 54.000 0.002 0.000 0.829 306 D CB -0.048 40.847 40.800 0.159 0.000 0.961 306 D HN 0.156 nan 8.370 nan 0.000 0.460 307 I N 0.125 120.514 120.570 -0.301 0.000 2.127 307 I HA -0.265 3.896 4.170 -0.015 0.000 0.241 307 I C 2.316 178.431 176.117 -0.003 0.000 1.075 307 I CA 0.850 61.913 61.300 -0.395 0.000 1.334 307 I CB -0.182 37.437 38.000 -0.635 0.000 1.040 307 I HN 0.040 nan 8.210 nan 0.000 0.405 308 I N 0.179 120.809 120.570 0.099 0.000 2.252 308 I HA -0.289 3.872 4.170 -0.015 0.000 0.245 308 I C 2.783 179.071 176.117 0.285 0.000 1.102 308 I CA 1.134 62.614 61.300 0.300 0.000 1.385 308 I CB -0.415 37.719 38.000 0.224 0.000 1.064 308 I HN 0.186 nan 8.210 nan 0.000 0.414 309 R N 1.192 121.791 120.500 0.165 0.000 2.094 309 R HA -0.246 4.085 4.340 -0.015 0.000 0.239 309 R C 2.484 178.875 176.300 0.151 0.000 1.137 309 R CA 1.928 58.118 56.100 0.150 0.000 0.943 309 R CB -0.307 30.069 30.300 0.127 0.000 0.850 309 R HN 0.210 nan 8.270 nan 0.000 0.433 310 R N -0.738 119.841 120.500 0.132 0.000 2.120 310 R HA -0.153 4.178 4.340 -0.015 0.000 0.234 310 R C 2.161 178.562 176.300 0.167 0.000 1.123 310 R CA 1.593 57.774 56.100 0.134 0.000 0.975 310 R CB -0.299 30.060 30.300 0.098 0.000 0.866 310 R HN 0.307 nan 8.270 nan 0.000 0.446 311 F N 1.242 121.230 119.950 0.063 0.000 2.206 311 F HA -0.075 4.443 4.527 -0.015 0.000 0.298 311 F C 1.666 177.491 175.800 0.041 0.000 1.090 311 F CA 1.386 59.415 58.000 0.049 0.000 1.323 311 F CB 0.110 39.175 39.000 0.108 0.000 1.028 311 F HN -0.166 nan 8.300 nan 0.000 0.492 312 K N -0.339 120.049 120.400 -0.020 0.000 2.103 312 K HA -0.026 4.285 4.320 -0.015 0.000 0.204 312 K C 1.842 178.376 176.600 -0.109 0.000 1.052 312 K CA 1.281 57.485 56.287 -0.139 0.000 0.945 312 K CB -0.279 32.248 32.500 0.046 0.000 0.722 312 K HN 0.104 nan 8.250 nan 0.000 0.443 313 S N 1.324 117.021 115.700 -0.005 0.000 2.720 313 S HA -0.016 4.445 4.470 -0.015 0.000 0.222 313 S C 0.809 175.405 174.600 -0.007 0.000 0.958 313 S CA 0.019 58.248 58.200 0.047 0.000 0.943 313 S CB -0.142 63.146 63.200 0.148 0.000 0.779 313 S HN 0.349 nan 8.310 nan 0.000 0.526 314 S N 1.310 116.942 115.700 -0.115 0.000 2.552 314 S HA 0.380 4.841 4.470 -0.015 0.000 0.271 314 S C 0.716 175.211 174.600 -0.174 0.000 1.168 314 S CA -0.577 57.530 58.200 -0.155 0.000 1.026 314 S CB 0.556 63.675 63.200 -0.134 0.000 1.120 314 S HN 0.133 nan 8.310 nan 0.000 0.514 315 K N -1.217 119.114 120.400 -0.115 0.000 2.404 315 K HA 0.337 4.648 4.320 -0.015 0.000 0.194 315 K C 0.360 176.809 176.600 -0.252 0.000 1.023 315 K CA 0.220 56.411 56.287 -0.161 0.000 1.094 315 K CB -0.104 32.311 32.500 -0.141 0.000 0.841 315 K HN 0.595 nan 8.250 nan 0.000 0.523 316 F N -1.026 118.764 119.950 -0.267 0.000 2.577 316 F HA 0.281 4.799 4.527 -0.015 0.000 0.276 316 F C 1.526 177.108 175.800 -0.364 0.000 1.032 316 F CA -0.099 57.742 58.000 -0.264 0.000 1.297 316 F CB -0.277 38.589 39.000 -0.223 0.000 1.061 316 F HN -0.067 nan 8.300 nan 0.000 0.680 325 N N 0.633 119.310 118.700 -0.037 0.000 2.437 325 N HA 0.351 5.082 4.740 -0.015 0.000 0.259 325 N C -0.811 174.756 175.510 0.094 0.000 0.983 325 N CA -0.174 52.925 53.050 0.082 0.000 0.937 325 N CB 0.784 39.336 38.487 0.107 0.000 1.122 325 N HN 0.168 nan 8.380 nan 0.000 0.499 326 F N 1.714 121.786 119.950 0.202 0.000 2.765 326 F HA 0.146 4.664 4.527 -0.015 0.000 0.302 326 F C 1.443 177.312 175.800 0.115 0.000 1.111 326 F CA -0.293 57.795 58.000 0.148 0.000 1.359 326 F CB 0.391 39.355 39.000 -0.061 0.000 1.097 326 F HN 0.462 nan 8.300 nan 0.000 0.577 327 D N 0.682 121.228 120.400 0.242 0.000 2.149 327 D HA -0.181 4.450 4.640 -0.015 0.000 0.198 327 D C 2.211 178.595 176.300 0.141 0.000 0.990 327 D CA 1.358 55.454 54.000 0.161 0.000 0.839 327 D CB -0.169 40.709 40.800 0.130 0.000 0.948 327 D HN 0.241 nan 8.370 nan 0.000 0.460 328 A N -0.888 122.040 122.820 0.180 0.000 2.251 328 A HA 0.089 4.400 4.320 -0.015 0.000 0.209 328 A C 1.682 179.320 177.584 0.091 0.000 1.187 328 A CA -0.260 51.836 52.037 0.098 0.000 0.823 328 A CB -0.743 18.292 19.000 0.059 0.000 0.846 328 A HN 0.186 nan 8.150 nan 0.000 0.486 329 F N 1.932 121.825 119.950 -0.096 0.000 2.065 329 F HA -0.147 4.371 4.527 -0.015 0.000 0.298 329 F C -0.782 174.889 175.800 -0.215 0.000 1.112 329 F CA 2.570 60.327 58.000 -0.405 0.000 1.212 329 F CB -0.536 38.227 39.000 -0.395 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.080 nan 4.420 nan 0.000 0.230 330 P C 0.623 177.844 177.300 -0.131 0.000 1.158 330 P CA 1.323 64.370 63.100 -0.088 0.000 0.769 330 P CB -0.059 31.619 31.700 -0.037 0.000 0.807 331 D N -0.803 119.515 120.400 -0.137 0.000 2.323 331 D HA -0.011 4.620 4.640 -0.015 0.000 0.209 331 D C 1.516 177.706 176.300 -0.184 0.000 0.973 331 D CA 0.845 54.754 54.000 -0.151 0.000 0.874 331 D CB 0.187 40.882 40.800 -0.176 0.000 0.930 331 D HN 0.135 nan 8.370 nan 0.000 0.521 332 K N 0.071 120.344 120.400 -0.212 0.000 2.380 332 K HA 0.206 4.517 4.320 -0.015 0.000 0.198 332 K C -0.027 176.445 176.600 -0.212 0.000 1.070 332 K CA 0.096 56.277 56.287 -0.177 0.000 1.040 332 K CB 2.307 34.778 32.500 -0.048 0.000 0.903 332 K HN -0.065 nan 8.250 nan 0.000 0.549 333 V N 1.160 120.866 119.914 -0.346 0.000 2.577 333 V HA 0.597 4.708 4.120 -0.015 0.000 0.303 333 V C -0.948 175.043 176.094 -0.172 0.000 1.042 333 V CA -1.268 60.840 62.300 -0.319 0.000 0.872 333 V CB 1.752 33.092 31.823 -0.805 0.000 0.998 333 V HN 0.113 nan 8.190 nan 0.000 0.423 334 A N 5.782 128.555 122.820 -0.079 0.000 2.331 334 A HA 0.929 5.240 4.320 -0.015 0.000 0.320 334 A C -0.908 176.694 177.584 0.030 0.000 1.138 334 A CA -0.505 51.521 52.037 -0.019 0.000 0.790 334 A CB 0.940 19.884 19.000 -0.092 0.000 1.206 334 A HN 0.776 nan 8.150 nan 0.000 0.470 335 I N 1.788 122.419 120.570 0.102 0.000 2.382 335 I HA 0.294 4.455 4.170 -0.015 0.000 0.286 335 I C -0.354 175.846 176.117 0.139 0.000 1.002 335 I CA -0.527 60.843 61.300 0.117 0.000 1.135 335 I CB 1.949 40.001 38.000 0.086 0.000 1.288 335 I HN 0.684 nan 8.210 nan 0.000 0.448 336 Q N 6.803 126.679 119.800 0.128 0.000 2.340 336 Q HA 0.498 4.829 4.340 -0.015 0.000 0.259 336 Q C -1.294 174.701 176.000 -0.009 0.000 0.964 336 Q CA -0.276 55.625 55.803 0.165 0.000 0.900 336 Q CB 1.256 30.186 28.738 0.319 0.000 1.228 336 Q HN 0.564 nan 8.270 nan 0.000 0.449 337 L N 3.683 124.942 121.223 0.060 0.000 2.278 337 L HA 0.380 4.711 4.340 -0.015 0.000 0.287 337 L C 0.129 177.026 176.870 0.046 0.000 1.072 337 L CA -0.690 54.179 54.840 0.048 0.000 0.819 337 L CB 0.561 42.693 42.059 0.121 0.000 1.176 337 L HN 0.555 nan 8.230 nan 0.000 0.435 338 N N 3.466 122.115 118.700 -0.085 0.000 2.508 338 N HA 0.093 4.824 4.740 -0.015 0.000 0.253 338 N C -0.147 175.356 175.510 -0.013 0.000 1.145 338 N CA 0.404 53.429 53.050 -0.042 0.000 0.973 338 N CB -0.100 38.268 38.487 -0.199 0.000 1.305 338 N HN 0.706 nan 8.380 nan 0.000 0.506 339 D N -0.485 120.031 120.400 0.194 0.000 3.841 339 D HA -0.262 4.369 4.640 -0.015 0.000 0.276 339 D C 0.417 176.820 176.300 0.171 0.000 2.088 339 D CA 2.116 56.232 54.000 0.193 0.000 1.152 339 D CB -0.416 40.282 40.800 -0.169 0.000 0.944 339 D HN 0.494 nan 8.370 nan 0.000 1.144 340 T N -3.270 111.313 114.554 0.048 0.000 3.129 340 T HA 0.121 4.462 4.350 -0.015 0.000 0.251 340 T C 1.437 176.214 174.700 0.128 0.000 1.117 340 T CA 1.333 63.445 62.100 0.020 0.000 1.034 340 T CB -0.487 68.367 68.868 -0.024 0.000 0.968 340 T HN 0.512 nan 8.240 nan 0.000 0.526 341 H N 2.636 121.785 119.070 0.132 0.000 2.353 341 H HA -0.008 4.539 4.556 -0.015 0.000 0.298 341 H C -0.870 174.539 175.328 0.136 0.000 1.103 341 H CA 1.014 57.154 56.048 0.153 0.000 1.293 341 H CB -0.865 28.985 29.762 0.147 0.000 1.372 341 H HN 0.435 nan 8.280 nan 0.000 0.501 342 P HA 0.081 nan 4.420 nan 0.000 0.254 342 P C 0.714 178.055 177.300 0.068 0.000 1.620 342 P CA 0.322 63.498 63.100 0.126 0.000 1.050 342 P CB 0.318 32.081 31.700 0.104 0.000 1.539 343 S N -0.296 115.438 115.700 0.057 0.000 2.442 343 S HA -0.116 4.345 4.470 -0.015 0.000 0.236 343 S C 1.709 176.306 174.600 -0.004 0.000 1.007 343 S CA 0.737 58.931 58.200 -0.010 0.000 0.965 343 S CB -1.441 61.730 63.200 -0.049 0.000 0.773 343 S HN 0.155 nan 8.310 nan 0.000 0.504 344 L N 0.971 122.206 121.223 0.019 0.000 2.549 344 L HA 0.046 4.377 4.340 -0.015 0.000 0.229 344 L C 2.888 179.782 176.870 0.040 0.000 1.158 344 L CA 0.562 55.411 54.840 0.015 0.000 0.842 344 L CB -0.746 41.316 42.059 0.005 0.000 0.952 344 L HN 0.470 nan 8.230 nan 0.000 0.452 345 A N 0.598 123.427 122.820 0.014 0.000 1.940 345 A HA -0.203 4.108 4.320 -0.015 0.000 0.219 345 A C 2.179 179.755 177.584 -0.012 0.000 1.176 345 A CA 1.548 53.579 52.037 -0.009 0.000 0.631 345 A CB -0.445 18.543 19.000 -0.020 0.000 0.814 345 A HN 0.372 nan 8.150 nan 0.000 0.446 346 I N 0.226 120.791 120.570 -0.010 0.000 2.133 346 I HA -0.139 4.022 4.170 -0.015 0.000 0.238 346 I C -0.365 175.764 176.117 0.019 0.000 1.074 346 I CA 1.573 62.864 61.300 -0.014 0.000 1.342 346 I CB -0.893 37.100 38.000 -0.011 0.000 1.053 346 I HN 0.250 nan 8.210 nan 0.000 0.404 347 P HA -0.150 nan 4.420 nan 0.000 0.225 347 P C 1.257 178.595 177.300 0.064 0.000 1.156 347 P CA 1.385 64.522 63.100 0.062 0.000 0.787 347 P CB 0.053 31.811 31.700 0.095 0.000 0.802 348 E N 0.344 120.641 120.200 0.162 0.000 2.072 348 E HA -0.152 4.189 4.350 -0.015 0.000 0.191 348 E C 1.918 178.509 176.600 -0.015 0.000 0.985 348 E CA 0.697 57.207 56.400 0.182 0.000 0.801 348 E CB -1.209 28.636 29.700 0.241 0.000 0.750 348 E HN 0.000 nan 8.360 nan 0.000 0.452 349 L N -0.048 121.131 121.223 -0.074 0.000 2.046 349 L HA -0.118 4.213 4.340 -0.015 0.000 0.208 349 L C 2.100 178.825 176.870 -0.242 0.000 1.077 349 L CA 1.744 56.477 54.840 -0.177 0.000 0.747 349 L CB -0.547 41.405 42.059 -0.179 0.000 0.896 349 L HN 0.234 nan 8.230 nan 0.000 0.432 350 M N -0.797 118.676 119.600 -0.211 0.000 2.080 350 M HA -0.234 4.237 4.480 -0.015 0.000 0.260 350 M C 2.434 178.576 176.300 -0.265 0.000 1.068 350 M CA 1.621 56.747 55.300 -0.290 0.000 1.109 350 M CB -1.285 31.126 32.600 -0.315 0.000 1.342 350 M HN 0.327 nan 8.290 nan 0.000 0.405 351 R N 0.053 120.424 120.500 -0.214 0.000 2.094 351 R HA -0.151 4.180 4.340 -0.015 0.000 0.239 351 R C 2.111 178.309 176.300 -0.170 0.000 1.137 351 R CA 1.913 57.887 56.100 -0.209 0.000 0.943 351 R CB -0.286 29.840 30.300 -0.291 0.000 0.850 351 R HN 0.213 nan 8.270 nan 0.000 0.433 352 V N 1.463 121.275 119.914 -0.169 0.000 2.261 352 V HA -0.273 3.838 4.120 -0.015 0.000 0.246 352 V C 2.439 178.372 176.094 -0.269 0.000 1.047 352 V CA 1.890 64.081 62.300 -0.180 0.000 1.015 352 V CB -0.439 31.275 31.823 -0.182 0.000 0.642 352 V HN 0.352 nan 8.190 nan 0.000 0.446 353 L N -0.665 120.335 121.223 -0.373 0.000 2.046 353 L HA -0.141 4.190 4.340 -0.015 0.000 0.208 353 L C 2.404 179.094 176.870 -0.300 0.000 1.077 353 L CA 1.184 55.740 54.840 -0.474 0.000 0.747 353 L CB -0.635 41.098 42.059 -0.544 0.000 0.896 353 L HN 0.204 nan 8.230 nan 0.000 0.432 354 V N -0.558 119.223 119.914 -0.222 0.000 2.302 354 V HA -0.189 3.922 4.120 -0.015 0.000 0.243 354 V C 1.945 177.998 176.094 -0.069 0.000 1.036 354 V CA 1.728 63.960 62.300 -0.114 0.000 1.020 354 V CB -0.352 31.437 31.823 -0.057 0.000 0.657 354 V HN 0.353 nan 8.190 nan 0.000 0.453 355 D N -0.182 120.172 120.400 -0.078 0.000 2.194 355 D HA 0.014 4.646 4.640 -0.015 0.000 0.204 355 D C 1.972 178.245 176.300 -0.045 0.000 0.964 355 D CA 1.102 55.073 54.000 -0.049 0.000 0.846 355 D CB 0.136 40.903 40.800 -0.055 0.000 0.962 355 D HN 0.339 nan 8.370 nan 0.000 0.490 356 L N 0.003 121.184 121.223 -0.070 0.000 2.467 356 L HA 0.157 4.488 4.340 -0.015 0.000 0.213 356 L C 1.729 178.571 176.870 -0.046 0.000 1.053 356 L CA 0.392 55.203 54.840 -0.048 0.000 0.847 356 L CB 0.172 42.204 42.059 -0.045 0.000 1.075 356 L HN -0.203 nan 8.230 nan 0.000 0.479 357 E N 0.386 120.524 120.200 -0.104 0.000 2.474 357 E HA 0.060 4.401 4.350 -0.015 0.000 0.194 357 E C 0.105 176.674 176.600 -0.050 0.000 1.041 357 E CA -0.066 56.282 56.400 -0.087 0.000 0.874 357 E CB 0.424 29.956 29.700 -0.281 0.000 0.914 357 E HN 0.185 nan 8.360 nan 0.000 0.498 358 R N -0.265 120.201 120.500 -0.057 0.000 3.776 358 R HA -0.187 4.144 4.340 -0.015 0.000 0.312 358 R C -0.235 176.057 176.300 -0.014 0.000 1.181 358 R CA 0.252 56.341 56.100 -0.018 0.000 0.836 358 R CB -2.894 27.412 30.300 0.011 0.000 1.324 358 R HN 0.099 nan 8.270 nan 0.000 0.501 359 L N 2.416 123.603 121.223 -0.060 0.000 2.452 359 L HA 0.104 4.435 4.340 -0.015 0.000 0.267 359 L C 1.499 178.366 176.870 -0.006 0.000 1.188 359 L CA 0.414 55.228 54.840 -0.042 0.000 0.821 359 L CB 0.359 42.346 42.059 -0.120 0.000 1.102 359 L HN 0.136 nan 8.230 nan 0.000 0.470 360 D N 1.270 121.692 120.400 0.036 0.000 2.357 360 D HA -0.140 4.491 4.640 -0.015 0.000 0.242 360 D C 0.940 177.312 176.300 0.121 0.000 1.153 360 D CA -0.525 53.529 54.000 0.091 0.000 0.918 360 D CB 0.702 41.561 40.800 0.098 0.000 1.181 360 D HN 0.621 nan 8.370 nan 0.000 0.435 361 W N 1.953 123.258 121.300 0.008 0.000 2.302 361 W HA -0.247 4.404 4.660 -0.015 0.000 0.320 361 W C 1.043 177.609 176.519 0.078 0.000 1.241 361 W CA 1.999 59.356 57.345 0.021 0.000 1.264 361 W CB -0.304 29.149 29.460 -0.012 0.000 1.154 361 W HN 0.463 nan 8.180 nan 0.000 0.483 362 D N 0.204 120.804 120.400 0.333 0.000 2.123 362 D HA -0.206 4.425 4.640 -0.015 0.000 0.196 362 D C 1.904 178.305 176.300 0.169 0.000 0.992 362 D CA 2.036 56.202 54.000 0.277 0.000 0.833 362 D CB -0.401 40.530 40.800 0.219 0.000 0.954 362 D HN 0.071 nan 8.370 nan 0.000 0.455 363 K N 0.922 121.381 120.400 0.097 0.000 2.031 363 K HA 0.059 4.370 4.320 -0.015 0.000 0.205 363 K C 1.837 178.424 176.600 -0.020 0.000 1.049 363 K CA 1.371 57.687 56.287 0.048 0.000 0.939 363 K CB -0.550 31.976 32.500 0.043 0.000 0.717 363 K HN -0.008 nan 8.250 nan 0.000 0.438 364 A N 0.840 123.608 122.820 -0.088 0.000 1.892 364 A HA -0.215 4.096 4.320 -0.015 0.000 0.218 364 A C 2.256 179.731 177.584 -0.181 0.000 1.188 364 A CA 1.657 53.569 52.037 -0.207 0.000 0.631 364 A CB -1.300 17.515 19.000 -0.308 0.000 0.822 364 A HN 0.713 nan 8.150 nan 0.000 0.447 365 W N 0.578 121.656 121.300 -0.369 0.000 2.358 365 W HA -0.171 4.480 4.660 -0.015 0.000 0.303 365 W C 2.016 178.466 176.519 -0.115 0.000 1.208 365 W CA 1.831 59.006 57.345 -0.283 0.000 1.274 365 W CB -0.125 29.200 29.460 -0.225 0.000 1.138 365 W HN 0.635 nan 8.180 nan 0.000 0.515 366 E N 0.140 120.316 120.200 -0.039 0.000 2.058 366 E HA -0.229 4.112 4.350 -0.015 0.000 0.194 366 E C 2.045 178.557 176.600 -0.147 0.000 0.997 366 E CA 2.038 58.385 56.400 -0.089 0.000 0.801 366 E CB -0.361 29.347 29.700 0.014 0.000 0.746 366 E HN 0.047 nan 8.360 nan 0.000 0.450 367 V N 0.835 120.677 119.914 -0.119 0.000 2.287 367 V HA -0.279 3.832 4.120 -0.015 0.000 0.248 367 V C 2.416 178.429 176.094 -0.135 0.000 1.053 367 V CA 2.231 64.475 62.300 -0.093 0.000 1.027 367 V CB -0.845 30.914 31.823 -0.107 0.000 0.646 367 V HN 0.397 nan 8.190 nan 0.000 0.447 368 T N 0.002 114.401 114.554 -0.259 0.000 2.674 368 T HA -0.178 4.163 4.350 -0.015 0.000 0.265 368 T C 1.964 176.471 174.700 -0.321 0.000 1.039 368 T CA 1.778 63.699 62.100 -0.299 0.000 1.150 368 T CB -0.318 68.312 68.868 -0.397 0.000 0.864 368 T HN 0.267 nan 8.240 nan 0.000 0.427 369 V N 1.521 121.124 119.914 -0.519 0.000 2.287 369 V HA -0.210 3.901 4.120 -0.015 0.000 0.248 369 V C 2.394 178.440 176.094 -0.081 0.000 1.053 369 V CA 1.723 63.788 62.300 -0.391 0.000 1.027 369 V CB -0.519 31.002 31.823 -0.503 0.000 0.646 369 V HN 0.476 nan 8.190 nan 0.000 0.447 370 K N -0.515 119.815 120.400 -0.117 0.000 2.283 370 K HA -0.110 4.201 4.320 -0.015 0.000 0.202 370 K C 2.113 178.672 176.600 -0.068 0.000 1.048 370 K CA 1.651 57.849 56.287 -0.148 0.000 0.948 370 K CB -0.264 32.150 32.500 -0.142 0.000 0.742 370 K HN 0.492 nan 8.250 nan 0.000 0.458 371 T N 0.261 114.833 114.554 0.030 0.000 2.894 371 T HA 0.001 4.342 4.350 -0.015 0.000 0.258 371 T C 0.989 175.791 174.700 0.170 0.000 1.043 371 T CA 0.468 62.625 62.100 0.095 0.000 1.141 371 T CB 0.059 69.020 68.868 0.155 0.000 0.873 371 T HN 0.171 nan 8.240 nan 0.000 0.449 372 C N 2.176 121.559 119.300 0.139 0.000 2.405 372 C HA 0.879 5.330 4.460 -0.015 0.000 0.365 372 C C 0.586 175.626 174.990 0.083 0.000 1.233 372 C CA -1.216 57.863 59.018 0.101 0.000 2.230 372 C CB 0.194 27.933 27.740 -0.002 0.000 2.443 372 C HN 0.605 nan 8.230 nan 0.000 0.556 373 A N 1.946 124.809 122.820 0.070 0.000 2.515 373 A HA 0.772 5.083 4.320 -0.015 0.000 0.298 373 A C -1.580 176.072 177.584 0.113 0.000 1.059 373 A CA -0.424 51.603 52.037 -0.018 0.000 0.698 373 A CB 1.076 20.075 19.000 -0.002 0.000 1.289 373 A HN 0.954 nan 8.150 nan 0.000 0.404 374 Y N 1.021 121.270 120.300 -0.086 0.000 2.391 374 Y HA 0.637 5.178 4.550 -0.014 0.000 0.341 374 Y C -0.596 175.291 175.900 -0.022 0.000 0.965 374 Y CA -0.332 57.733 58.100 -0.058 0.000 1.067 374 Y CB 2.081 40.463 38.460 -0.130 0.000 1.199 374 Y HN 0.571 nan 8.280 nan 0.000 0.450 375 T N 6.486 120.870 114.554 -0.283 0.000 2.770 375 T HA 0.180 4.521 4.350 -0.015 0.000 0.283 375 T C -0.732 173.564 174.700 -0.675 0.000 0.988 375 T CA -0.793 61.067 62.100 -0.400 0.000 0.957 375 T CB 0.449 69.309 68.868 -0.014 0.000 0.930 375 T HN 0.648 nan 8.240 nan 0.000 0.443 376 N N 1.880 120.143 118.700 -0.727 0.000 2.499 376 N HA 0.099 4.830 4.740 -0.015 0.000 0.281 376 N C 0.025 175.423 175.510 -0.187 0.000 1.098 376 N CA -0.224 52.634 53.050 -0.321 0.000 0.979 376 N CB 0.670 39.129 38.487 -0.048 0.000 1.121 376 N HN 0.677 nan 8.380 nan 0.000 0.466 377 H N 1.122 120.212 119.070 0.033 0.000 2.923 377 H HA 0.171 4.718 4.556 -0.015 0.000 0.268 377 H C -0.266 174.992 175.328 -0.117 0.000 1.148 377 H CA -0.059 55.963 56.048 -0.044 0.000 1.146 377 H CB 1.074 30.815 29.762 -0.034 0.000 1.607 377 H HN 0.528 nan 8.280 nan 0.000 0.566 378 T N 0.180 114.757 114.554 0.038 0.000 2.893 378 T HA 0.180 4.521 4.350 -0.015 0.000 0.337 378 T C 0.413 175.132 174.700 0.033 0.000 1.587 378 T CA -0.340 61.737 62.100 -0.039 0.000 1.066 378 T CB 1.174 70.017 68.868 -0.041 0.000 1.414 378 T HN -0.035 nan 8.240 nan 0.000 0.488 379 V N 1.792 121.690 119.914 -0.027 0.000 3.605 379 V HA 0.550 4.661 4.120 -0.015 0.000 0.284 379 V C 0.799 176.856 176.094 -0.061 0.000 1.386 379 V CA -0.005 62.267 62.300 -0.046 0.000 1.053 379 V CB -0.381 31.413 31.823 -0.047 0.000 0.857 379 V HN 0.725 nan 8.190 nan 0.000 0.436 380 L N 3.171 124.346 121.223 -0.081 0.000 2.584 380 L HA 0.167 4.498 4.340 -0.015 0.000 0.272 380 L C -0.558 176.319 176.870 0.012 0.000 1.195 380 L CA -0.847 53.970 54.840 -0.038 0.000 0.920 380 L CB 0.632 42.645 42.059 -0.077 0.000 1.173 380 L HN 0.161 nan 8.230 nan 0.000 0.489 381 P HA -0.212 nan 4.420 nan 0.000 0.216 381 P C 1.002 178.329 177.300 0.045 0.000 1.150 381 P CA 1.247 64.363 63.100 0.026 0.000 0.837 381 P CB 0.048 31.767 31.700 0.032 0.000 0.786 382 E N 0.367 120.637 120.200 0.117 0.000 2.418 382 E HA -0.049 4.292 4.350 -0.015 0.000 0.197 382 E C 1.577 178.240 176.600 0.104 0.000 1.026 382 E CA 1.026 57.529 56.400 0.172 0.000 0.862 382 E CB -0.745 29.196 29.700 0.401 0.000 0.799 382 E HN 0.199 nan 8.360 nan 0.000 0.518 383 A N 1.179 124.054 122.820 0.092 0.000 2.195 383 A HA 0.242 4.553 4.320 -0.015 0.000 0.210 383 A C 1.285 178.860 177.584 -0.014 0.000 1.165 383 A CA -0.300 51.784 52.037 0.080 0.000 0.806 383 A CB -0.072 18.988 19.000 0.101 0.000 0.847 383 A HN 0.149 nan 8.150 nan 0.000 0.482 384 L N 1.222 122.387 121.223 -0.096 0.000 2.380 384 L HA 0.170 4.502 4.340 -0.015 0.000 0.273 384 L C -0.030 176.471 176.870 -0.615 0.000 1.138 384 L CA -0.201 54.511 54.840 -0.213 0.000 0.832 384 L CB 0.685 42.663 42.059 -0.134 0.000 1.124 384 L HN 0.306 nan 8.230 nan 0.000 0.454 385 E N 3.838 123.600 120.200 -0.731 0.000 2.180 385 E HA 0.245 4.586 4.350 -0.015 0.000 0.283 385 E C -0.689 175.268 176.600 -1.072 0.000 1.061 385 E CA -0.242 55.295 56.400 -1.437 0.000 0.861 385 E CB 0.762 30.009 29.700 -0.755 0.000 1.056 385 E HN 0.388 nan 8.360 nan 0.000 0.407 386 R N 3.643 123.362 120.500 -1.302 0.000 2.472 386 R HA 0.205 4.536 4.340 -0.015 0.000 0.294 386 R C -1.278 174.849 176.300 -0.288 0.000 1.243 386 R CA -0.544 55.242 56.100 -0.524 0.000 1.023 386 R CB 0.813 30.930 30.300 -0.305 0.000 1.157 386 R HN 0.437 nan 8.270 nan 0.000 0.530 387 W N 4.412 125.674 121.300 -0.063 0.000 2.311 387 W HA 0.279 4.930 4.660 -0.015 0.000 0.310 387 W C -1.886 174.600 176.519 -0.056 0.000 1.274 387 W CA -2.155 55.204 57.345 0.024 0.000 1.215 387 W CB 0.708 30.160 29.460 -0.014 0.000 1.227 387 W HN 0.253 nan 8.180 nan 0.000 0.523 388 P HA -0.097 nan 4.420 nan 0.000 0.265 388 P C 0.783 177.986 177.300 -0.161 0.000 1.193 388 P CA 0.230 63.261 63.100 -0.114 0.000 0.765 388 P CB 0.733 32.173 31.700 -0.434 0.000 0.823 389 V N 3.162 123.021 119.914 -0.092 0.000 2.407 389 V HA -0.281 3.830 4.120 -0.015 0.000 0.248 389 V C 2.123 178.204 176.094 -0.023 0.000 1.055 389 V CA 2.499 64.784 62.300 -0.025 0.000 1.049 389 V CB -1.710 30.164 31.823 0.086 0.000 0.662 389 V HN 0.754 nan 8.190 nan 0.000 0.455 390 H N -0.974 118.151 119.070 0.091 0.000 2.456 390 H HA -0.103 4.444 4.556 -0.015 0.000 0.296 390 H C 2.042 177.416 175.328 0.076 0.000 1.079 390 H CA 1.662 57.759 56.048 0.083 0.000 1.322 390 H CB -0.647 29.165 29.762 0.083 0.000 1.388 390 H HN 0.355 nan 8.280 nan 0.000 0.538 391 L N -0.011 121.148 121.223 -0.108 0.000 2.005 391 L HA -0.113 4.218 4.340 -0.015 0.000 0.207 391 L C 2.394 179.238 176.870 -0.044 0.000 1.072 391 L CA 1.185 56.029 54.840 0.006 0.000 0.744 391 L CB -0.263 41.786 42.059 -0.017 0.000 0.895 391 L HN 0.320 nan 8.230 nan 0.000 0.433 392 L N -0.623 120.540 121.223 -0.100 0.000 2.083 392 L HA -0.249 4.082 4.340 -0.015 0.000 0.209 392 L C 2.518 179.327 176.870 -0.102 0.000 1.083 392 L CA 1.225 55.972 54.840 -0.155 0.000 0.752 392 L CB -0.499 41.454 42.059 -0.177 0.000 0.899 392 L HN 0.365 nan 8.230 nan 0.000 0.433 393 E N -0.251 119.931 120.200 -0.029 0.000 2.085 393 E HA -0.214 4.127 4.350 -0.015 0.000 0.194 393 E C 1.925 178.563 176.600 0.064 0.000 0.994 393 E CA 1.956 58.370 56.400 0.024 0.000 0.801 393 E CB 0.131 29.883 29.700 0.087 0.000 0.743 393 E HN 0.446 nan 8.360 nan 0.000 0.453 394 T N 0.948 115.563 114.554 0.102 0.000 2.809 394 T HA -0.096 4.245 4.350 -0.015 0.000 0.260 394 T C 1.792 176.596 174.700 0.174 0.000 1.039 394 T CA 0.888 63.096 62.100 0.180 0.000 1.141 394 T CB -0.176 68.829 68.868 0.229 0.000 0.869 394 T HN 0.087 nan 8.240 nan 0.000 0.437 395 L N -0.109 121.119 121.223 0.008 0.000 2.162 395 L HA 0.343 4.674 4.340 -0.015 0.000 0.205 395 L C 0.446 177.264 176.870 -0.086 0.000 1.086 395 L CA 1.538 56.268 54.840 -0.183 0.000 0.778 395 L CB 0.055 41.967 42.059 -0.245 0.000 0.928 395 L HN 0.174 nan 8.230 nan 0.000 0.446 396 L N 0.570 121.702 121.223 -0.152 0.000 2.625 396 L HA 0.289 4.620 4.340 -0.015 0.000 0.255 396 L C -1.712 174.973 176.870 -0.309 0.000 1.493 396 L CA -0.932 53.729 54.840 -0.298 0.000 0.796 396 L CB 0.831 42.571 42.059 -0.533 0.000 1.064 396 L HN -0.056 nan 8.230 nan 0.000 0.516 397 P HA -0.197 nan 4.420 nan 0.000 0.216 397 P C 1.473 178.570 177.300 -0.339 0.000 1.150 397 P CA 1.131 64.108 63.100 -0.207 0.000 0.837 397 P CB 0.381 32.038 31.700 -0.071 0.000 0.786 398 R N -0.083 120.019 120.500 -0.663 0.000 2.075 398 R HA -0.145 4.186 4.340 -0.015 0.000 0.232 398 R C 2.314 178.291 176.300 -0.538 0.000 1.126 398 R CA 1.707 57.420 56.100 -0.645 0.000 0.963 398 R CB -1.688 28.049 30.300 -0.939 0.000 0.858 398 R HN 0.258 nan 8.270 nan 0.000 0.435 399 H N -0.331 118.418 119.070 -0.536 0.000 2.353 399 H HA -0.052 4.495 4.556 -0.015 0.000 0.300 399 H C 1.835 176.984 175.328 -0.297 0.000 1.090 399 H CA 1.644 57.465 56.048 -0.378 0.000 1.327 399 H CB -0.149 29.352 29.762 -0.434 0.000 1.383 399 H HN 0.081 nan 8.280 nan 0.000 0.508 400 L N 0.570 121.663 121.223 -0.217 0.000 2.042 400 L HA -0.262 4.069 4.340 -0.015 0.000 0.210 400 L C 1.896 178.558 176.870 -0.345 0.000 1.076 400 L CA 1.618 56.259 54.840 -0.331 0.000 0.749 400 L CB -0.295 41.581 42.059 -0.304 0.000 0.893 400 L HN 0.463 nan 8.230 nan 0.000 0.432 401 Q N -0.335 119.373 119.800 -0.153 0.000 2.084 401 Q HA -0.235 4.096 4.340 -0.015 0.000 0.202 401 Q C 2.176 178.189 176.000 0.022 0.000 0.978 401 Q CA 1.655 57.461 55.803 0.005 0.000 0.844 401 Q CB -0.103 28.639 28.738 0.008 0.000 0.898 401 Q HN 0.552 nan 8.270 nan 0.000 0.426 402 I N 0.424 120.988 120.570 -0.010 0.000 2.226 402 I HA -0.277 3.884 4.170 -0.015 0.000 0.245 402 I C 2.153 178.350 176.117 0.133 0.000 1.100 402 I CA 1.035 62.417 61.300 0.136 0.000 1.374 402 I CB -0.148 37.889 38.000 0.061 0.000 1.057 402 I HN 0.191 nan 8.210 nan 0.000 0.413 403 I N -0.477 120.086 120.570 -0.010 0.000 2.226 403 I HA -0.329 3.832 4.170 -0.015 0.000 0.245 403 I C 2.415 178.545 176.117 0.021 0.000 1.100 403 I CA 1.475 62.754 61.300 -0.035 0.000 1.374 403 I CB -0.414 37.495 38.000 -0.152 0.000 1.057 403 I HN 0.154 nan 8.210 nan 0.000 0.413 404 Y N 0.848 121.152 120.300 0.006 0.000 2.128 404 Y HA -0.289 4.253 4.550 -0.015 0.000 0.284 404 Y C 2.621 178.487 175.900 -0.056 0.000 1.154 404 Y CA 1.614 59.703 58.100 -0.018 0.000 1.149 404 Y CB -0.839 37.602 38.460 -0.031 0.000 0.976 404 Y HN 0.189 nan 8.280 nan 0.000 0.505 405 E N 0.347 120.585 120.200 0.064 0.000 2.077 405 E HA -0.150 4.191 4.350 -0.015 0.000 0.193 405 E C 2.097 178.615 176.600 -0.136 0.000 0.989 405 E CA 1.268 57.561 56.400 -0.178 0.000 0.800 405 E CB -0.549 28.865 29.700 -0.477 0.000 0.746 405 E HN 0.480 nan 8.360 nan 0.000 0.452 406 I N 0.626 121.225 120.570 0.049 0.000 2.208 406 I HA -0.296 3.865 4.170 -0.015 0.000 0.245 406 I C 2.256 178.376 176.117 0.006 0.000 1.097 406 I CA 1.412 62.692 61.300 -0.033 0.000 1.363 406 I CB -0.379 37.605 38.000 -0.025 0.000 1.051 406 I HN 0.206 nan 8.210 nan 0.000 0.413 407 N N 0.631 119.381 118.700 0.083 0.000 2.120 407 N HA -0.260 4.471 4.740 -0.015 0.000 0.188 407 N C 1.873 177.469 175.510 0.143 0.000 1.024 407 N CA 1.470 54.618 53.050 0.164 0.000 0.852 407 N CB -0.146 38.454 38.487 0.188 0.000 1.003 407 N HN 0.324 nan 8.380 nan 0.000 0.424 408 Q N 0.141 119.970 119.800 0.049 0.000 2.050 408 Q HA -0.149 4.182 4.340 -0.015 0.000 0.202 408 Q C 1.990 177.976 176.000 -0.023 0.000 0.980 408 Q CA 1.406 57.203 55.803 -0.010 0.000 0.840 408 Q CB -0.024 28.668 28.738 -0.076 0.000 0.898 408 Q HN 0.383 nan 8.270 nan 0.000 0.424 409 R N -0.636 119.829 120.500 -0.060 0.000 2.096 409 R HA -0.132 4.199 4.340 -0.015 0.000 0.235 409 R C 2.201 178.526 176.300 0.042 0.000 1.127 409 R CA 1.392 57.456 56.100 -0.059 0.000 0.968 409 R CB -0.409 29.806 30.300 -0.141 0.000 0.861 409 R HN 0.277 nan 8.270 nan 0.000 0.440 410 F N 1.454 121.379 119.950 -0.042 0.000 2.102 410 F HA -0.113 4.405 4.527 -0.015 0.000 0.298 410 F C 1.834 177.659 175.800 0.042 0.000 1.105 410 F CA 1.388 59.411 58.000 0.039 0.000 1.239 410 F CB -0.182 38.872 39.000 0.089 0.000 0.991 410 F HN -0.110 nan 8.300 nan 0.000 0.474 411 L N -0.083 121.149 121.223 0.014 0.000 2.201 411 L HA -0.206 4.125 4.340 -0.015 0.000 0.212 411 L C 1.953 178.761 176.870 -0.104 0.000 1.105 411 L CA 1.316 56.106 54.840 -0.083 0.000 0.775 411 L CB -0.850 41.225 42.059 0.026 0.000 0.913 411 L HN 0.262 nan 8.230 nan 0.000 0.440 412 N N -0.102 118.554 118.700 -0.073 0.000 2.188 412 N HA -0.156 4.575 4.740 -0.015 0.000 0.184 412 N C 1.912 177.371 175.510 -0.086 0.000 1.018 412 N CA 0.741 53.750 53.050 -0.068 0.000 0.858 412 N CB 0.011 38.466 38.487 -0.054 0.000 0.989 412 N HN 0.268 nan 8.380 nan 0.000 0.426 413 R N 0.575 121.005 120.500 -0.117 0.000 2.096 413 R HA -0.055 4.276 4.340 -0.015 0.000 0.235 413 R C 2.162 178.365 176.300 -0.161 0.000 1.127 413 R CA 0.850 56.875 56.100 -0.125 0.000 0.968 413 R CB -0.232 29.999 30.300 -0.115 0.000 0.861 413 R HN 0.086 nan 8.270 nan 0.000 0.440 414 V N 0.758 120.524 119.914 -0.247 0.000 2.307 414 V HA -0.223 3.888 4.120 -0.015 0.000 0.245 414 V C 2.420 178.512 176.094 -0.003 0.000 1.045 414 V CA 1.939 64.158 62.300 -0.136 0.000 1.024 414 V CB -0.739 30.931 31.823 -0.256 0.000 0.651 414 V HN 0.402 nan 8.190 nan 0.000 0.449 415 A N 0.149 122.941 122.820 -0.048 0.000 1.908 415 A HA -0.167 4.144 4.320 -0.015 0.000 0.218 415 A C 2.389 179.955 177.584 -0.030 0.000 1.181 415 A CA 2.278 54.303 52.037 -0.020 0.000 0.627 415 A CB -0.784 18.196 19.000 -0.034 0.000 0.818 415 A HN 0.593 nan 8.150 nan 0.000 0.445 416 A N -0.666 122.118 122.820 -0.060 0.000 1.969 416 A HA 0.279 4.590 4.320 -0.015 0.000 0.218 416 A C 2.368 179.873 177.584 -0.130 0.000 1.169 416 A CA 1.785 53.776 52.037 -0.077 0.000 0.635 416 A CB -0.668 18.289 19.000 -0.071 0.000 0.810 416 A HN 0.998 nan 8.150 nan 0.000 0.445 417 A N -1.757 120.952 122.820 -0.184 0.000 1.975 417 A HA 0.397 4.708 4.320 -0.015 0.000 0.215 417 A C 0.448 177.613 177.584 -0.697 0.000 1.170 417 A CA 0.495 52.267 52.037 -0.441 0.000 0.656 417 A CB -0.116 18.578 19.000 -0.509 0.000 0.821 417 A HN 0.417 nan 8.150 nan 0.000 0.449 418 F N 0.027 119.931 119.950 -0.077 0.000 2.584 418 F HA 0.341 4.859 4.527 -0.015 0.000 0.328 418 F C -2.800 172.965 175.800 -0.059 0.000 1.407 418 F CA -2.698 55.262 58.000 -0.067 0.000 1.145 418 F CB 0.850 39.802 39.000 -0.079 0.000 1.440 418 F HN -0.066 nan 8.300 nan 0.000 0.580 419 P HA 0.211 nan 4.420 nan 0.000 0.268 419 P C 1.010 178.331 177.300 0.035 0.000 1.204 419 P CA 0.957 64.070 63.100 0.022 0.000 0.768 419 P CB 0.971 32.665 31.700 -0.010 0.000 0.842 420 G N 2.366 111.179 108.800 0.022 0.000 2.234 420 G HA2 -0.245 3.706 3.960 -0.015 0.000 0.260 420 G HA3 -0.245 3.706 3.960 -0.015 0.000 0.260 420 G C 0.341 175.251 174.900 0.016 0.000 0.987 420 G CA 0.052 45.161 45.100 0.015 0.000 0.625 420 G HN 0.611 nan 8.290 nan 0.000 0.532 421 D N 1.528 121.946 120.400 0.031 0.000 2.508 421 D HA 0.371 5.002 4.640 -0.015 0.000 0.224 421 D C 2.110 178.401 176.300 -0.015 0.000 1.171 421 D CA 0.427 54.430 54.000 0.006 0.000 1.006 421 D CB 0.424 41.226 40.800 0.004 0.000 1.073 421 D HN 0.595 nan 8.370 nan 0.000 0.513 422 V N 0.824 120.731 119.914 -0.012 0.000 2.515 422 V HA -0.147 3.964 4.120 -0.015 0.000 0.250 422 V C 1.770 177.853 176.094 -0.018 0.000 1.058 422 V CA 1.541 63.833 62.300 -0.013 0.000 1.064 422 V CB -0.488 31.331 31.823 -0.007 0.000 0.675 422 V HN 0.226 nan 8.190 nan 0.000 0.461 423 D N 0.102 120.487 120.400 -0.025 0.000 2.183 423 D HA -0.119 4.512 4.640 -0.015 0.000 0.203 423 D C 2.330 178.603 176.300 -0.045 0.000 0.969 423 D CA 0.962 54.947 54.000 -0.025 0.000 0.842 423 D CB -0.146 40.641 40.800 -0.022 0.000 0.957 423 D HN 0.406 nan 8.370 nan 0.000 0.484 424 R N -0.069 120.380 120.500 -0.086 0.000 2.081 424 R HA -0.102 4.229 4.340 -0.015 0.000 0.235 424 R C 2.193 178.426 176.300 -0.111 0.000 1.131 424 R CA 0.909 56.920 56.100 -0.148 0.000 0.960 424 R CB -0.231 29.916 30.300 -0.255 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.436 425 L N 0.649 121.832 121.223 -0.067 0.000 2.012 425 L HA -0.241 4.090 4.340 -0.015 0.000 0.210 425 L C 2.738 179.618 176.870 0.016 0.000 1.073 425 L CA 2.063 56.885 54.840 -0.031 0.000 0.748 425 L CB -0.588 41.461 42.059 -0.016 0.000 0.891 425 L HN 0.343 nan 8.230 nan 0.000 0.431 426 R N 0.080 120.592 120.500 0.021 0.000 2.115 426 R HA -0.111 4.220 4.340 -0.015 0.000 0.230 426 R C 2.225 178.581 176.300 0.092 0.000 1.111 426 R CA 0.965 57.098 56.100 0.056 0.000 0.976 426 R CB -0.404 29.921 30.300 0.042 0.000 0.870 426 R HN 0.247 nan 8.270 nan 0.000 0.445 427 R N 0.150 120.688 120.500 0.064 0.000 2.115 427 R HA 0.111 4.442 4.340 -0.015 0.000 0.226 427 R C 2.058 178.462 176.300 0.173 0.000 1.100 427 R CA 1.560 57.726 56.100 0.110 0.000 0.980 427 R CB -0.090 30.232 30.300 0.037 0.000 0.875 427 R HN 0.326 nan 8.270 nan 0.000 0.445 428 M N -0.053 119.573 119.600 0.044 0.000 2.510 428 M HA 0.048 4.519 4.480 -0.015 0.000 0.256 428 M C 0.874 177.362 176.300 0.314 0.000 1.132 428 M CA -0.002 55.273 55.300 -0.042 0.000 1.105 428 M CB 0.483 32.896 32.600 -0.311 0.000 1.375 428 M HN -0.081 nan 8.290 nan 0.000 0.477 429 S N 1.127 117.008 115.700 0.302 0.000 2.558 429 S HA 0.034 4.495 4.470 -0.015 0.000 0.291 429 S C 1.131 175.986 174.600 0.426 0.000 1.306 429 S CA -0.208 58.186 58.200 0.324 0.000 1.056 429 S CB 0.545 63.871 63.200 0.210 0.000 0.836 429 S HN 0.364 nan 8.310 nan 0.000 0.504 430 L N 4.010 125.428 121.223 0.325 0.000 2.313 430 L HA 0.108 4.439 4.340 -0.015 0.000 0.214 430 L C 0.339 177.300 176.870 0.151 0.000 1.119 430 L CA 0.260 55.240 54.840 0.233 0.000 0.809 430 L CB -0.455 41.690 42.059 0.143 0.000 0.933 430 L HN 0.400 nan 8.230 nan 0.000 0.449 431 V N 0.894 120.914 119.914 0.177 0.000 2.383 431 V HA 0.147 4.258 4.120 -0.015 0.000 0.275 431 V C 0.095 176.264 176.094 0.125 0.000 1.036 431 V CA -0.518 61.875 62.300 0.155 0.000 0.889 431 V CB 1.300 33.250 31.823 0.212 0.000 0.985 431 V HN 0.182 nan 8.190 nan 0.000 0.459 432 E N 3.414 123.665 120.200 0.085 0.000 2.115 432 E HA 0.359 4.700 4.350 -0.015 0.000 0.282 432 E C -0.620 176.023 176.600 0.070 0.000 0.987 432 E CA -0.483 55.958 56.400 0.069 0.000 0.797 432 E CB 1.543 31.261 29.700 0.030 0.000 1.086 432 E HN 0.625 nan 8.360 nan 0.000 0.397 433 E N 1.134 121.375 120.200 0.069 0.000 2.349 433 E HA 0.577 4.918 4.350 -0.015 0.000 0.265 433 E C 0.145 176.777 176.600 0.053 0.000 1.064 433 E CA 0.307 56.743 56.400 0.061 0.000 0.886 433 E CB 1.430 31.161 29.700 0.052 0.000 1.036 433 E HN 0.630 nan 8.360 nan 0.000 0.413 434 G N -0.053 108.778 108.800 0.053 0.000 2.344 434 G HA2 0.332 4.283 3.960 -0.015 0.000 0.282 434 G HA3 0.332 4.283 3.960 -0.015 0.000 0.282 434 G C 0.255 175.187 174.900 0.052 0.000 1.281 434 G CA -0.034 45.095 45.100 0.048 0.000 0.877 434 G HN 0.533 nan 8.290 nan 0.000 0.494 435 A N -0.954 121.896 122.820 0.051 0.000 1.859 435 A HA 0.313 4.624 4.320 -0.015 0.000 0.217 435 A C 1.659 179.287 177.584 0.073 0.000 1.198 435 A CA 3.338 55.407 52.037 0.054 0.000 0.629 435 A CB -1.152 17.878 19.000 0.050 0.000 0.830 435 A HN 2.245 nan 8.150 nan 0.000 0.446 436 V N -2.577 117.389 119.914 0.087 0.000 2.513 436 V HA 0.529 4.640 4.120 -0.015 0.000 0.299 436 V C -0.460 175.695 176.094 0.101 0.000 1.035 436 V CA -1.351 61.021 62.300 0.121 0.000 0.889 436 V CB 1.426 33.346 31.823 0.162 0.000 0.988 436 V HN 0.304 nan 8.190 nan 0.000 0.440 437 K N 4.289 124.756 120.400 0.112 0.000 2.350 437 K HA 0.495 4.806 4.320 -0.015 0.000 0.279 437 K C -0.373 176.274 176.600 0.078 0.000 1.027 437 K CA -0.210 56.136 56.287 0.099 0.000 0.969 437 K CB 1.038 33.612 32.500 0.122 0.000 0.954 437 K HN 0.743 nan 8.250 nan 0.000 0.474 438 R N 1.638 122.176 120.500 0.064 0.000 2.837 438 R HA 0.471 4.802 4.340 -0.015 0.000 0.271 438 R C -0.555 175.768 176.300 0.038 0.000 0.993 438 R CA -1.000 55.125 56.100 0.042 0.000 0.931 438 R CB 1.335 31.643 30.300 0.014 0.000 1.206 438 R HN 0.378 nan 8.270 nan 0.000 0.474 439 I N 2.003 122.594 120.570 0.034 0.000 2.321 439 I HA 0.151 4.312 4.170 -0.015 0.000 0.291 439 I C -0.079 176.013 176.117 -0.042 0.000 0.998 439 I CA -0.681 60.627 61.300 0.014 0.000 1.227 439 I CB 1.051 39.059 38.000 0.014 0.000 1.368 439 I HN 0.495 nan 8.210 nan 0.000 0.466 440 N N 6.999 125.641 118.700 -0.097 0.000 2.402 440 N HA 0.097 4.828 4.740 -0.015 0.000 0.252 440 N C 0.770 176.179 175.510 -0.168 0.000 1.118 440 N CA -0.319 52.597 53.050 -0.224 0.000 0.945 440 N CB 1.010 39.208 38.487 -0.481 0.000 1.147 440 N HN 0.381 nan 8.380 nan 0.000 0.495 441 M N 2.506 122.011 119.600 -0.159 0.000 2.254 441 M HA -0.029 4.442 4.480 -0.015 0.000 0.265 441 M C 1.963 178.130 176.300 -0.222 0.000 1.066 441 M CA 0.652 55.878 55.300 -0.123 0.000 1.123 441 M CB -1.550 31.023 32.600 -0.046 0.000 1.388 441 M HN 0.609 nan 8.290 nan 0.000 0.425 442 A N -0.346 122.345 122.820 -0.215 0.000 1.902 442 A HA -0.182 4.129 4.320 -0.015 0.000 0.217 442 A C 2.003 179.381 177.584 -0.342 0.000 1.181 442 A CA 1.538 53.417 52.037 -0.262 0.000 0.623 442 A CB -1.157 17.894 19.000 0.084 0.000 0.818 442 A HN 0.598 nan 8.150 nan 0.000 0.443 443 H N -1.095 117.766 119.070 -0.349 0.000 2.389 443 H HA -0.031 4.516 4.556 -0.015 0.000 0.299 443 H C 2.129 177.237 175.328 -0.366 0.000 1.081 443 H CA 0.920 56.734 56.048 -0.391 0.000 1.345 443 H CB -0.073 29.670 29.762 -0.033 0.000 1.393 443 H HN 0.369 nan 8.280 nan 0.000 0.520 444 L N 0.455 121.595 121.223 -0.138 0.000 2.012 444 L HA -0.234 4.098 4.340 -0.015 0.000 0.210 444 L C 2.270 178.998 176.870 -0.236 0.000 1.073 444 L CA 1.383 56.135 54.840 -0.147 0.000 0.748 444 L CB -0.425 41.575 42.059 -0.098 0.000 0.891 444 L HN 0.441 nan 8.230 nan 0.000 0.431 445 C N -0.087 118.971 119.300 -0.404 0.000 2.425 445 C HA -0.151 4.300 4.460 -0.015 0.000 0.277 445 C C 2.664 177.394 174.990 -0.434 0.000 1.280 445 C CA 0.500 59.198 59.018 -0.533 0.000 1.744 445 C CB -0.730 26.308 27.740 -1.171 0.000 1.989 445 C HN 0.508 nan 8.230 nan 0.000 0.491 446 I N 1.328 121.597 120.570 -0.502 0.000 2.252 446 I HA -0.160 4.001 4.170 -0.015 0.000 0.245 446 I C 2.753 178.720 176.117 -0.250 0.000 1.102 446 I CA 1.531 62.580 61.300 -0.418 0.000 1.385 446 I CB -0.552 37.043 38.000 -0.675 0.000 1.064 446 I HN 0.244 nan 8.210 nan 0.000 0.414 447 A N 0.625 123.265 122.820 -0.300 0.000 1.902 447 A HA -0.114 4.197 4.320 -0.015 0.000 0.217 447 A C 2.222 179.858 177.584 0.087 0.000 1.181 447 A CA 1.945 53.855 52.037 -0.211 0.000 0.623 447 A CB -1.191 17.486 19.000 -0.538 0.000 0.818 447 A HN 0.477 nan 8.150 nan 0.000 0.443 448 G N -1.236 107.551 108.800 -0.023 0.000 3.284 448 G HA2 0.416 4.367 3.960 -0.015 0.000 0.236 448 G HA3 0.416 4.367 3.960 -0.015 0.000 0.236 448 G C 0.114 174.853 174.900 -0.268 0.000 1.158 448 G CA 0.511 45.483 45.100 -0.212 0.000 0.774 448 G HN 0.358 nan 8.290 nan 0.000 0.545 449 S N -0.364 115.233 115.700 -0.172 0.000 2.536 449 S HA 0.333 4.794 4.470 -0.015 0.000 0.298 449 S C 0.742 175.288 174.600 -0.090 0.000 1.083 449 S CA -0.709 57.413 58.200 -0.130 0.000 0.995 449 S CB 1.316 64.441 63.200 -0.125 0.000 1.058 449 S HN 0.496 nan 8.310 nan 0.000 0.488 450 H N -0.131 118.899 119.070 -0.067 0.000 2.551 450 H HA 0.487 5.034 4.556 -0.015 0.000 0.266 450 H C 0.168 175.481 175.328 -0.025 0.000 0.964 450 H CA 0.283 56.318 56.048 -0.020 0.000 1.180 450 H CB 0.142 29.904 29.762 0.000 0.000 1.408 450 H HN 0.513 nan 8.280 nan 0.000 0.563 451 A N 0.993 123.489 122.820 -0.541 0.000 2.486 451 A HA 0.582 4.893 4.320 -0.015 0.000 0.300 451 A C -1.379 175.999 177.584 -0.343 0.000 1.048 451 A CA -0.582 51.208 52.037 -0.411 0.000 0.696 451 A CB 2.387 21.122 19.000 -0.441 0.000 1.278 451 A HN 0.099 nan 8.150 nan 0.000 0.405 452 V N 3.892 123.572 119.914 -0.390 0.000 2.623 452 V HA 0.514 4.625 4.120 -0.015 0.000 0.304 452 V C -0.925 174.984 176.094 -0.309 0.000 1.054 452 V CA -0.788 61.271 62.300 -0.401 0.000 0.882 452 V CB 1.859 33.278 31.823 -0.674 0.000 1.002 452 V HN 1.027 nan 8.190 nan 0.000 0.424 453 N N 3.162 121.703 118.700 -0.265 0.000 2.229 453 N HA 0.615 5.346 4.740 -0.015 0.000 0.298 453 N C -0.234 175.176 175.510 -0.167 0.000 1.114 453 N CA -0.341 52.596 53.050 -0.188 0.000 0.776 453 N CB 2.886 41.239 38.487 -0.224 0.000 1.501 453 N HN 0.638 nan 8.380 nan 0.000 0.474 454 G N -0.690 108.046 108.800 -0.107 0.000 2.537 454 G HA2 0.427 4.378 3.960 -0.015 0.000 0.297 454 G HA3 0.427 4.378 3.960 -0.015 0.000 0.297 454 G C 0.705 175.659 174.900 0.090 0.000 1.310 454 G CA -0.402 44.687 45.100 -0.018 0.000 1.027 454 G HN 0.677 nan 8.290 nan 0.000 0.505 455 V N -4.029 116.052 119.914 0.279 0.000 3.380 455 V HA 0.711 4.822 4.120 -0.015 0.000 0.307 455 V C 0.467 176.634 176.094 0.122 0.000 1.434 455 V CA 0.362 62.737 62.300 0.124 0.000 1.075 455 V CB -0.630 31.208 31.823 0.025 0.000 0.954 455 V HN 1.395 nan 8.190 nan 0.000 0.444 456 A N -0.020 122.884 122.820 0.140 0.000 2.599 456 A HA 0.641 4.952 4.320 -0.015 0.000 0.294 456 A C 0.664 178.293 177.584 0.076 0.000 1.055 456 A CA -0.080 52.018 52.037 0.101 0.000 0.683 456 A CB 1.229 20.277 19.000 0.080 0.000 1.278 456 A HN 0.037 nan 8.150 nan 0.000 0.412 457 R N 0.910 121.435 120.500 0.041 0.000 2.096 457 R HA -0.167 4.164 4.340 -0.015 0.000 0.240 457 R C 1.644 177.937 176.300 -0.011 0.000 1.139 457 R CA 2.319 58.421 56.100 0.003 0.000 0.952 457 R CB -0.230 30.069 30.300 -0.003 0.000 0.854 457 R HN 0.825 nan 8.270 nan 0.000 0.436 458 I N 0.215 120.788 120.570 0.004 0.000 2.286 458 I HA -0.292 3.869 4.170 -0.015 0.000 0.248 458 I C 2.334 178.454 176.117 0.005 0.000 1.115 458 I CA 1.815 63.110 61.300 -0.009 0.000 1.392 458 I CB -0.226 37.768 38.000 -0.009 0.000 1.065 458 I HN 0.355 nan 8.210 nan 0.000 0.418 459 H N 0.345 119.380 119.070 -0.059 0.000 2.299 459 H HA -0.125 4.422 4.556 -0.015 0.000 0.302 459 H C 2.297 177.581 175.328 -0.073 0.000 1.078 459 H CA 2.225 58.231 56.048 -0.069 0.000 1.323 459 H CB -0.317 29.409 29.762 -0.060 0.000 1.381 459 H HN 0.221 nan 8.280 nan 0.000 0.498 460 S N 0.472 116.039 115.700 -0.222 0.000 2.383 460 S HA -0.151 4.310 4.470 -0.015 0.000 0.229 460 S C 1.909 176.381 174.600 -0.213 0.000 1.030 460 S CA 1.348 59.405 58.200 -0.239 0.000 1.002 460 S CB -0.114 63.020 63.200 -0.110 0.000 0.829 460 S HN 0.501 nan 8.310 nan 0.000 0.467 461 E N 1.084 121.182 120.200 -0.170 0.000 2.072 461 E HA -0.013 4.328 4.350 -0.015 0.000 0.191 461 E C 2.054 178.534 176.600 -0.201 0.000 0.985 461 E CA 0.661 56.951 56.400 -0.183 0.000 0.801 461 E CB -0.399 29.226 29.700 -0.126 0.000 0.750 461 E HN 0.515 nan 8.360 nan 0.000 0.452 462 I N 1.079 121.545 120.570 -0.174 0.000 2.264 462 I HA -0.282 3.879 4.170 -0.015 0.000 0.248 462 I C 2.418 178.398 176.117 -0.227 0.000 1.111 462 I CA 0.827 62.027 61.300 -0.166 0.000 1.382 462 I CB -0.250 37.684 38.000 -0.109 0.000 1.060 462 I HN 0.060 nan 8.210 nan 0.000 0.418 463 L N 0.342 121.387 121.223 -0.296 0.000 2.046 463 L HA -0.221 4.110 4.340 -0.015 0.000 0.208 463 L C 2.501 179.237 176.870 -0.223 0.000 1.077 463 L CA 1.569 56.238 54.840 -0.286 0.000 0.747 463 L CB -0.540 41.411 42.059 -0.179 0.000 0.896 463 L HN 0.194 nan 8.230 nan 0.000 0.432 464 K N -0.193 120.007 120.400 -0.333 0.000 2.217 464 K HA -0.120 4.191 4.320 -0.015 0.000 0.202 464 K C 2.063 178.452 176.600 -0.353 0.000 1.051 464 K CA 0.914 56.865 56.287 -0.560 0.000 0.952 464 K CB 0.078 32.006 32.500 -0.954 0.000 0.736 464 K HN 0.224 nan 8.250 nan 0.000 0.453 465 K N -0.092 120.161 120.400 -0.246 0.000 2.242 465 K HA -0.028 4.283 4.320 -0.015 0.000 0.200 465 K C 1.858 178.400 176.600 -0.097 0.000 1.050 465 K CA 1.360 57.558 56.287 -0.149 0.000 0.981 465 K CB 0.484 32.906 32.500 -0.130 0.000 0.795 465 K HN 0.251 nan 8.250 nan 0.000 0.477 466 T N -1.449 113.038 114.554 -0.112 0.000 3.409 466 T HA 0.060 4.402 4.350 -0.015 0.000 0.188 466 T C 1.885 176.544 174.700 -0.069 0.000 0.929 466 T CA 0.055 62.106 62.100 -0.082 0.000 1.184 466 T CB -0.761 68.053 68.868 -0.090 0.000 1.570 466 T HN 0.127 nan 8.240 nan 0.000 0.367 467 I N -0.981 119.491 120.570 -0.164 0.000 2.394 467 I HA 0.222 4.383 4.170 -0.015 0.000 0.251 467 I C 1.429 177.554 176.117 0.013 0.000 1.136 467 I CA 1.349 62.539 61.300 -0.182 0.000 1.425 467 I CB -0.553 37.212 38.000 -0.392 0.000 1.079 467 I HN 0.249 nan 8.210 nan 0.000 0.425 468 F N 0.862 120.879 119.950 0.111 0.000 2.708 468 F HA 0.330 4.848 4.527 -0.015 0.000 0.300 468 F C 2.020 177.912 175.800 0.153 0.000 1.118 468 F CA -0.652 57.484 58.000 0.227 0.000 1.307 468 F CB 0.138 39.279 39.000 0.235 0.000 0.986 468 F HN -0.071 nan 8.300 nan 0.000 0.522 469 K N 1.135 121.651 120.400 0.194 0.000 2.034 469 K HA -0.233 4.078 4.320 -0.015 0.000 0.214 469 K C 1.368 178.027 176.600 0.098 0.000 1.051 469 K CA 2.281 58.623 56.287 0.092 0.000 0.931 469 K CB -0.039 32.480 32.500 0.030 0.000 0.715 469 K HN 0.152 nan 8.250 nan 0.000 0.446 470 D N -0.237 120.196 120.400 0.055 0.000 2.149 470 D HA -0.169 4.462 4.640 -0.015 0.000 0.198 470 D C 1.805 178.019 176.300 -0.144 0.000 0.990 470 D CA 1.284 55.186 54.000 -0.163 0.000 0.839 470 D CB -0.281 40.318 40.800 -0.336 0.000 0.948 470 D HN 0.262 nan 8.370 nan 0.000 0.460 471 F N -0.350 119.672 119.950 0.121 0.000 2.206 471 F HA -0.109 4.409 4.527 -0.015 0.000 0.298 471 F C 2.318 178.265 175.800 0.246 0.000 1.090 471 F CA 0.363 58.512 58.000 0.249 0.000 1.323 471 F CB -0.629 38.582 39.000 0.351 0.000 1.028 471 F HN -0.053 nan 8.300 nan 0.000 0.492 472 Y N 1.454 121.735 120.300 -0.031 0.000 2.181 472 Y HA -0.219 4.322 4.550 -0.015 0.000 0.288 472 Y C 2.135 178.016 175.900 -0.031 0.000 1.146 472 Y CA 1.698 59.587 58.100 -0.351 0.000 1.164 472 Y CB -0.603 37.475 38.460 -0.636 0.000 0.982 472 Y HN 0.126 nan 8.280 nan 0.000 0.515 473 E N -0.430 119.725 120.200 -0.075 0.000 2.110 473 E HA -0.202 4.139 4.350 -0.015 0.000 0.193 473 E C 2.011 178.673 176.600 0.103 0.000 0.988 473 E CA 1.241 57.615 56.400 -0.044 0.000 0.804 473 E CB -0.289 29.430 29.700 0.031 0.000 0.745 473 E HN 0.434 nan 8.360 nan 0.000 0.458 474 L N 0.881 122.206 121.223 0.170 0.000 2.072 474 L HA -0.051 4.280 4.340 -0.015 0.000 0.205 474 L C 0.240 177.200 176.870 0.150 0.000 1.079 474 L CA 1.673 56.648 54.840 0.224 0.000 0.752 474 L CB 0.374 42.562 42.059 0.214 0.000 0.906 474 L HN -0.095 nan 8.230 nan 0.000 0.436 475 E N -0.269 120.014 120.200 0.138 0.000 3.386 475 E HA 0.179 4.520 4.350 -0.015 0.000 0.236 475 E C -2.011 174.528 176.600 -0.102 0.000 1.227 475 E CA -1.194 55.209 56.400 0.005 0.000 0.970 475 E CB 0.830 30.543 29.700 0.021 0.000 1.343 475 E HN 0.201 nan 8.360 nan 0.000 0.397 476 P HA -0.229 nan 4.420 nan 0.000 0.218 476 P C 1.227 178.606 177.300 0.131 0.000 1.149 476 P CA 1.315 64.302 63.100 -0.188 0.000 0.817 476 P CB -0.043 31.426 31.700 -0.385 0.000 0.785 477 H N 0.241 119.408 119.070 0.161 0.000 2.489 477 H HA 0.009 4.556 4.556 -0.015 0.000 0.293 477 H C 1.774 177.194 175.328 0.153 0.000 1.066 477 H CA 0.998 57.133 56.048 0.144 0.000 1.305 477 H CB -0.595 29.224 29.762 0.094 0.000 1.386 477 H HN 0.162 nan 8.280 nan 0.000 0.551 478 K N 0.354 120.623 120.400 -0.218 0.000 2.217 478 K HA 0.012 4.323 4.320 -0.015 0.000 0.202 478 K C -0.228 176.245 176.600 -0.212 0.000 1.051 478 K CA 0.081 56.245 56.287 -0.205 0.000 0.952 478 K CB 0.119 32.390 32.500 -0.382 0.000 0.736 478 K HN 0.045 nan 8.250 nan 0.000 0.453 479 F N 1.621 121.588 119.950 0.028 0.000 2.411 479 F HA 0.249 4.767 4.527 -0.015 0.000 0.350 479 F C 0.273 176.076 175.800 0.004 0.000 1.114 479 F CA -0.275 57.751 58.000 0.043 0.000 1.135 479 F CB 1.335 40.421 39.000 0.144 0.000 1.120 479 F HN -0.041 nan 8.300 nan 0.000 0.495 480 Q N 1.748 121.584 119.800 0.061 0.000 2.544 480 Q HA 0.336 4.667 4.340 -0.015 0.000 0.291 480 Q C -1.215 174.749 176.000 -0.060 0.000 1.068 480 Q CA -1.245 54.544 55.803 -0.023 0.000 0.785 480 Q CB 3.129 31.798 28.738 -0.115 0.000 1.481 480 Q HN 0.616 nan 8.270 nan 0.000 0.430 481 N N 0.806 119.453 118.700 -0.088 0.000 2.314 481 N HA 0.271 5.002 4.740 -0.015 0.000 0.304 481 N C -1.417 173.999 175.510 -0.157 0.000 1.073 481 N CA -0.377 52.616 53.050 -0.095 0.000 0.822 481 N CB 0.974 39.425 38.487 -0.058 0.000 1.280 481 N HN 0.292 nan 8.380 nan 0.000 0.489 482 K N 2.790 123.099 120.400 -0.153 0.000 2.675 482 K HA 0.179 4.490 4.320 -0.015 0.000 0.224 482 K C -0.940 175.669 176.600 0.017 0.000 1.003 482 K CA -0.501 55.677 56.287 -0.182 0.000 1.034 482 K CB 1.284 33.458 32.500 -0.543 0.000 1.218 482 K HN 0.540 nan 8.250 nan 0.000 0.507 483 T N 2.125 116.707 114.554 0.047 0.000 2.908 483 T HA 0.036 4.377 4.350 -0.015 0.000 0.301 483 T C 0.784 175.615 174.700 0.217 0.000 1.019 483 T CA 0.384 62.563 62.100 0.131 0.000 1.152 483 T CB 0.234 69.184 68.868 0.137 0.000 0.966 483 T HN 0.360 nan 8.240 nan 0.000 0.540 484 N N 0.642 119.490 118.700 0.246 0.000 2.267 484 N HA 0.396 5.127 4.740 -0.015 0.000 0.226 484 N C 0.524 176.225 175.510 0.318 0.000 1.314 484 N CA -0.142 53.088 53.050 0.300 0.000 0.887 484 N CB 0.390 38.989 38.487 0.187 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.653 108.348 108.800 0.335 0.000 2.727 485 G HA2 0.636 4.587 3.960 -0.015 0.000 0.289 485 G HA3 0.636 4.587 3.960 -0.015 0.000 0.289 485 G C -1.367 173.670 174.900 0.227 0.000 1.418 485 G CA -0.723 44.554 45.100 0.296 0.000 0.818 485 G HN 0.605 nan 8.290 nan 0.000 0.486 486 I N -2.524 118.164 120.570 0.198 0.000 2.934 486 I HA 0.745 4.906 4.170 -0.015 0.000 0.306 486 I C -0.412 175.863 176.117 0.264 0.000 1.110 486 I CA -0.918 60.490 61.300 0.181 0.000 1.019 486 I CB 2.445 40.439 38.000 -0.010 0.000 1.227 486 I HN 0.500 nan 8.210 nan 0.000 0.434 487 T N 4.160 118.929 114.554 0.360 0.000 2.794 487 T HA 0.377 4.718 4.350 -0.015 0.000 0.296 487 T C -1.460 173.358 174.700 0.198 0.000 0.949 487 T CA -1.680 60.553 62.100 0.222 0.000 1.101 487 T CB 0.800 69.744 68.868 0.127 0.000 0.905 487 T HN 0.627 nan 8.240 nan 0.000 0.516 488 P HA 0.039 nan 4.420 nan 0.000 0.237 488 P C 1.043 178.310 177.300 -0.055 0.000 1.178 488 P CA 0.340 63.475 63.100 0.059 0.000 0.766 488 P CB 0.365 32.082 31.700 0.028 0.000 0.876 489 R N 0.429 120.852 120.500 -0.129 0.000 2.060 489 R HA 0.025 4.357 4.340 -0.015 0.000 0.225 489 R C 2.680 178.857 176.300 -0.205 0.000 1.155 489 R CA 1.479 57.459 56.100 -0.200 0.000 0.930 489 R CB -1.269 28.915 30.300 -0.194 0.000 0.829 489 R HN 0.022 nan 8.270 nan 0.000 0.433 490 R N -0.711 119.607 120.500 -0.303 0.000 2.091 490 R HA -0.141 4.190 4.340 -0.015 0.000 0.238 490 R C 1.023 176.963 176.300 -0.600 0.000 1.136 490 R CA 1.805 57.561 56.100 -0.573 0.000 0.959 490 R CB -0.178 29.573 30.300 -0.915 0.000 0.856 490 R HN 0.313 nan 8.270 nan 0.000 0.437 491 W N -0.510 120.746 121.300 -0.074 0.000 3.388 491 W HA 0.181 4.832 4.660 -0.016 0.000 0.324 491 W C 0.919 177.406 176.519 -0.053 0.000 1.250 491 W CA -0.743 56.557 57.345 -0.074 0.000 1.809 491 W CB 0.446 29.866 29.460 -0.067 0.000 1.083 491 W HN 0.217 nan 8.180 nan 0.000 0.685 492 L N -2.224 119.051 121.223 0.087 0.000 2.681 492 L HA 0.190 4.521 4.340 -0.015 0.000 0.163 492 L C 1.777 178.658 176.870 0.018 0.000 1.188 492 L CA 0.748 55.633 54.840 0.074 0.000 0.944 492 L CB -0.829 41.301 42.059 0.118 0.000 1.835 492 L HN -0.251 nan 8.230 nan 0.000 0.510 493 V N 1.092 120.993 119.914 -0.021 0.000 2.287 493 V HA -0.282 3.829 4.120 -0.015 0.000 0.248 493 V C 2.446 178.510 176.094 -0.051 0.000 1.053 493 V CA 2.509 64.787 62.300 -0.036 0.000 1.027 493 V CB -0.686 31.084 31.823 -0.088 0.000 0.646 493 V HN 0.505 nan 8.190 nan 0.000 0.447 494 L N 0.410 121.574 121.223 -0.099 0.000 2.005 494 L HA -0.186 4.145 4.340 -0.015 0.000 0.207 494 L C 2.483 179.289 176.870 -0.106 0.000 1.072 494 L CA 2.402 57.169 54.840 -0.122 0.000 0.744 494 L CB -0.253 41.682 42.059 -0.205 0.000 0.895 494 L HN 0.662 nan 8.230 nan 0.000 0.433 495 C N -1.976 117.256 119.300 -0.113 0.000 2.563 495 C HA 0.211 4.662 4.460 -0.015 0.000 0.268 495 C C 1.189 176.163 174.990 -0.027 0.000 1.365 495 C CA -0.320 58.649 59.018 -0.081 0.000 1.754 495 C CB -0.950 26.740 27.740 -0.084 0.000 1.932 495 C HN 0.576 nan 8.230 nan 0.000 0.536 496 N N 1.244 119.938 118.700 -0.010 0.000 2.733 496 N HA 0.291 5.022 4.740 -0.015 0.000 0.271 496 N C -1.755 173.766 175.510 0.017 0.000 1.720 496 N CA -1.646 51.410 53.050 0.010 0.000 0.803 496 N CB 0.771 39.273 38.487 0.024 0.000 1.208 496 N HN 0.239 nan 8.380 nan 0.000 0.498 497 P HA -0.058 nan 4.420 nan 0.000 0.216 497 P C 1.428 178.743 177.300 0.025 0.000 1.150 497 P CA 0.983 64.093 63.100 0.016 0.000 0.837 497 P CB 0.197 31.900 31.700 0.005 0.000 0.786 498 G N 0.637 109.448 108.800 0.017 0.000 2.476 498 G HA2 -0.263 3.688 3.960 -0.015 0.000 0.218 498 G HA3 -0.263 3.688 3.960 -0.015 0.000 0.218 498 G C 1.539 176.449 174.900 0.016 0.000 1.164 498 G CA 0.820 45.928 45.100 0.014 0.000 0.768 498 G HN 0.268 nan 8.290 nan 0.000 0.560 499 L N 1.123 122.357 121.223 0.019 0.000 2.109 499 L HA 0.310 4.641 4.340 -0.015 0.000 0.207 499 L C 3.044 179.948 176.870 0.056 0.000 1.086 499 L CA 1.891 56.743 54.840 0.020 0.000 0.760 499 L CB -0.630 41.439 42.059 0.017 0.000 0.910 499 L HN 0.224 nan 8.230 nan 0.000 0.437 500 A N -0.686 122.186 122.820 0.087 0.000 1.940 500 A HA -0.248 4.063 4.320 -0.015 0.000 0.219 500 A C 2.241 179.921 177.584 0.160 0.000 1.176 500 A CA 1.807 53.945 52.037 0.168 0.000 0.631 500 A CB -0.637 18.448 19.000 0.141 0.000 0.814 500 A HN 0.533 nan 8.150 nan 0.000 0.446 501 E N 0.666 120.922 120.200 0.092 0.000 2.028 501 E HA -0.154 4.187 4.350 -0.015 0.000 0.191 501 E C 1.848 178.489 176.600 0.069 0.000 0.988 501 E CA 1.550 57.995 56.400 0.074 0.000 0.799 501 E CB -0.543 29.183 29.700 0.044 0.000 0.755 501 E HN 0.731 nan 8.360 nan 0.000 0.447 502 I N -1.572 119.034 120.570 0.060 0.000 2.361 502 I HA -0.165 3.996 4.170 -0.015 0.000 0.251 502 I C 2.122 178.313 176.117 0.124 0.000 1.133 502 I CA 1.222 62.571 61.300 0.082 0.000 1.413 502 I CB -0.350 37.679 38.000 0.048 0.000 1.073 502 I HN 0.030 nan 8.210 nan 0.000 0.424 503 I N 1.854 122.471 120.570 0.079 0.000 2.233 503 I HA -0.163 3.998 4.170 -0.015 0.000 0.243 503 I C 2.983 179.052 176.117 -0.080 0.000 1.093 503 I CA 1.265 62.533 61.300 -0.054 0.000 1.380 503 I CB -0.492 37.361 38.000 -0.245 0.000 1.067 503 I HN 0.298 nan 8.210 nan 0.000 0.413 504 A N 0.408 123.277 122.820 0.081 0.000 1.972 504 A HA -0.206 4.105 4.320 -0.015 0.000 0.219 504 A C 2.158 179.772 177.584 0.049 0.000 1.169 504 A CA 1.478 53.607 52.037 0.153 0.000 0.635 504 A CB -0.550 18.570 19.000 0.201 0.000 0.810 504 A HN 0.436 nan 8.150 nan 0.000 0.446 505 E N -0.606 119.605 120.200 0.019 0.000 2.118 505 E HA -0.207 4.135 4.350 -0.015 0.000 0.195 505 E C 2.224 178.791 176.600 -0.055 0.000 0.992 505 E CA 1.139 57.538 56.400 -0.003 0.000 0.804 505 E CB -0.068 29.639 29.700 0.010 0.000 0.741 505 E HN 0.404 nan 8.360 nan 0.000 0.458 506 R N 0.191 120.595 120.500 -0.160 0.000 2.075 506 R HA 0.043 4.374 4.340 -0.015 0.000 0.220 506 R C 2.342 178.541 176.300 -0.168 0.000 1.118 506 R CA 0.964 56.883 56.100 -0.302 0.000 0.986 506 R CB -0.441 29.326 30.300 -0.888 0.000 0.884 506 R HN 0.359 nan 8.270 nan 0.000 0.439 507 I N -3.500 116.986 120.570 -0.140 0.000 4.154 507 I HA 0.456 4.617 4.170 -0.015 0.000 0.334 507 I C 0.486 176.632 176.117 0.049 0.000 1.371 507 I CA 0.151 61.423 61.300 -0.046 0.000 1.110 507 I CB 0.820 38.767 38.000 -0.089 0.000 1.085 507 I HN 0.178 nan 8.210 nan 0.000 0.398 508 G N 2.016 110.859 108.800 0.071 0.000 2.660 508 G HA2 -0.222 3.729 3.960 -0.015 0.000 0.215 508 G HA3 -0.222 3.729 3.960 -0.015 0.000 0.215 508 G C -0.041 174.988 174.900 0.214 0.000 1.345 508 G CA 0.213 45.380 45.100 0.111 0.000 0.877 508 G HN 0.423 nan 8.290 nan 0.000 0.549 509 E N -0.516 119.761 120.200 0.128 0.000 2.498 509 E HA 0.089 4.430 4.350 -0.015 0.000 0.203 509 E C 1.743 178.287 176.600 -0.094 0.000 1.013 509 E CA -0.098 56.317 56.400 0.025 0.000 0.927 509 E CB 0.308 30.015 29.700 0.012 0.000 1.012 509 E HN 0.434 nan 8.360 nan 0.000 0.482 510 E N 0.369 120.588 120.200 0.032 0.000 2.347 510 E HA -0.143 4.198 4.350 -0.015 0.000 0.196 510 E C 1.517 178.115 176.600 -0.004 0.000 1.008 510 E CA 0.579 56.989 56.400 0.016 0.000 0.852 510 E CB 0.100 29.832 29.700 0.054 0.000 0.783 510 E HN 0.496 nan 8.360 nan 0.000 0.505 511 Y N -1.279 119.022 120.300 0.002 0.000 2.421 511 Y HA -0.013 4.529 4.550 -0.013 0.000 0.292 511 Y C 1.936 177.811 175.900 -0.041 0.000 1.136 511 Y CA 0.526 58.618 58.100 -0.012 0.000 1.255 511 Y CB -0.745 37.709 38.460 -0.010 0.000 0.991 511 Y HN -0.099 nan 8.280 nan 0.000 0.552 512 I N 0.987 121.106 120.570 -0.753 0.000 2.335 512 I HA -0.249 3.912 4.170 -0.015 0.000 0.251 512 I C 1.725 177.598 176.117 -0.406 0.000 1.129 512 I CA 1.878 62.773 61.300 -0.676 0.000 1.402 512 I CB -0.385 37.114 38.000 -0.835 0.000 1.069 512 I HN 0.455 nan 8.210 nan 0.000 0.424 513 S N -1.956 113.608 115.700 -0.228 0.000 2.602 513 S HA 0.178 4.639 4.470 -0.015 0.000 0.240 513 S C 0.140 174.726 174.600 -0.023 0.000 0.992 513 S CA -0.462 57.683 58.200 -0.091 0.000 0.971 513 S CB 0.287 63.503 63.200 0.027 0.000 0.855 513 S HN 0.282 nan 8.310 nan 0.000 0.481 514 D N 0.699 121.093 120.400 -0.010 0.000 2.752 514 D HA 0.228 4.859 4.640 -0.015 0.000 0.242 514 D C 0.214 176.556 176.300 0.069 0.000 1.295 514 D CA -0.365 53.653 54.000 0.029 0.000 0.846 514 D CB 0.485 41.307 40.800 0.036 0.000 1.454 514 D HN 0.108 nan 8.370 nan 0.000 0.535 515 L N 1.361 122.625 121.223 0.067 0.000 2.362 515 L HA 0.043 4.374 4.340 -0.015 0.000 0.219 515 L C 1.435 178.354 176.870 0.082 0.000 1.134 515 L CA 1.393 56.302 54.840 0.114 0.000 0.807 515 L CB -0.004 42.117 42.059 0.102 0.000 0.927 515 L HN 0.244 nan 8.230 nan 0.000 0.447 516 D N -0.613 119.812 120.400 0.042 0.000 2.265 516 D HA -0.215 4.416 4.640 -0.015 0.000 0.208 516 D C 1.901 178.219 176.300 0.029 0.000 0.977 516 D CA 0.839 54.849 54.000 0.017 0.000 0.871 516 D CB 0.064 40.863 40.800 -0.003 0.000 0.925 516 D HN 0.544 nan 8.370 nan 0.000 0.485 517 Q N -0.020 119.815 119.800 0.058 0.000 2.364 517 Q HA -0.069 4.262 4.340 -0.015 0.000 0.209 517 Q C 2.283 178.295 176.000 0.019 0.000 0.977 517 Q CA 0.296 56.133 55.803 0.057 0.000 0.885 517 Q CB -0.011 28.790 28.738 0.106 0.000 0.941 517 Q HN 0.400 nan 8.270 nan 0.000 0.464 518 L N 0.174 121.401 121.223 0.006 0.000 2.349 518 L HA -0.193 4.138 4.340 -0.015 0.000 0.220 518 L C 2.307 179.162 176.870 -0.026 0.000 1.130 518 L CA 0.859 55.664 54.840 -0.057 0.000 0.791 518 L CB -0.357 41.681 42.059 -0.035 0.000 0.918 518 L HN 0.219 nan 8.230 nan 0.000 0.444 519 R N 0.412 120.911 120.500 -0.001 0.000 2.127 519 R HA -0.190 4.141 4.340 -0.015 0.000 0.238 519 R C 2.118 178.423 176.300 0.008 0.000 1.134 519 R CA 1.196 57.300 56.100 0.006 0.000 0.975 519 R CB -0.238 30.064 30.300 0.003 0.000 0.865 519 R HN 0.395 nan 8.270 nan 0.000 0.447 520 K N 0.612 121.016 120.400 0.007 0.000 2.286 520 K HA -0.139 4.173 4.320 -0.015 0.000 0.203 520 K C 1.864 178.511 176.600 0.079 0.000 1.045 520 K CA 0.965 57.270 56.287 0.030 0.000 0.935 520 K CB -0.145 32.374 32.500 0.032 0.000 0.737 520 K HN 0.230 nan 8.250 nan 0.000 0.460 521 L N 0.453 121.689 121.223 0.023 0.000 2.376 521 L HA -0.135 4.196 4.340 -0.015 0.000 0.219 521 L C 1.842 178.776 176.870 0.106 0.000 1.133 521 L CA 0.045 54.898 54.840 0.022 0.000 0.816 521 L CB -0.245 41.777 42.059 -0.062 0.000 0.933 521 L HN 0.133 nan 8.230 nan 0.000 0.449 522 L N 0.091 121.352 121.223 0.063 0.000 2.127 522 L HA -0.179 4.152 4.340 -0.015 0.000 0.211 522 L C 2.602 179.475 176.870 0.005 0.000 1.089 522 L CA 1.881 56.746 54.840 0.041 0.000 0.757 522 L CB -0.967 41.101 42.059 0.015 0.000 0.899 522 L HN 0.351 nan 8.230 nan 0.000 0.434 523 S N -2.658 113.011 115.700 -0.053 0.000 2.786 523 S HA -0.040 4.422 4.470 -0.015 0.000 0.223 523 S C 0.961 175.299 174.600 -0.438 0.000 0.956 523 S CA 0.121 58.186 58.200 -0.225 0.000 0.961 523 S CB -0.575 62.451 63.200 -0.290 0.000 0.784 523 S HN 0.466 nan 8.310 nan 0.000 0.519 524 Y N -1.094 119.141 120.300 -0.109 0.000 2.563 524 Y HA 0.402 4.950 4.550 -0.003 0.000 0.250 524 Y C 1.822 177.756 175.900 0.056 0.000 1.126 524 Y CA -0.547 57.484 58.100 -0.115 0.000 1.231 524 Y CB 0.317 38.504 38.460 -0.455 0.000 1.288 524 Y HN 0.278 nan 8.280 nan 0.000 0.537 525 V N 0.492 120.501 119.914 0.157 0.000 2.594 525 V HA -0.202 3.909 4.120 -0.015 0.000 0.253 525 V C 0.937 177.102 176.094 0.118 0.000 1.069 525 V CA 2.245 64.638 62.300 0.154 0.000 1.082 525 V CB -0.001 31.874 31.823 0.088 0.000 0.680 525 V HN 0.333 nan 8.190 nan 0.000 0.469 526 D N -0.567 119.880 120.400 0.078 0.000 2.363 526 D HA 0.111 4.743 4.640 -0.015 0.000 0.214 526 D C 0.306 176.649 176.300 0.073 0.000 1.093 526 D CA 0.011 54.045 54.000 0.057 0.000 0.837 526 D CB 0.124 40.935 40.800 0.018 0.000 0.948 526 D HN 0.439 nan 8.370 nan 0.000 0.507 527 D N 1.431 121.909 120.400 0.130 0.000 2.336 527 D HA -0.010 4.621 4.640 -0.015 0.000 0.249 527 D C 1.106 177.511 176.300 0.175 0.000 1.213 527 D CA -0.051 54.046 54.000 0.161 0.000 0.870 527 D CB 1.629 42.589 40.800 0.266 0.000 1.076 527 D HN -0.170 nan 8.370 nan 0.000 0.483 528 E N 3.147 123.414 120.200 0.112 0.000 2.150 528 E HA -0.120 4.221 4.350 -0.015 0.000 0.193 528 E C 1.728 178.381 176.600 0.089 0.000 0.985 528 E CA 1.251 57.701 56.400 0.083 0.000 0.814 528 E CB 0.068 29.799 29.700 0.052 0.000 0.752 528 E HN 0.576 nan 8.360 nan 0.000 0.466 529 A N -0.166 122.723 122.820 0.116 0.000 1.873 529 A HA -0.144 4.167 4.320 -0.015 0.000 0.215 529 A C 2.191 179.864 177.584 0.148 0.000 1.186 529 A CA 1.329 53.434 52.037 0.114 0.000 0.616 529 A CB -0.972 18.101 19.000 0.121 0.000 0.823 529 A HN 0.459 nan 8.150 nan 0.000 0.442 530 F N 0.420 120.396 119.950 0.043 0.000 2.134 530 F HA -0.151 4.368 4.527 -0.014 0.000 0.299 530 F C 2.040 177.850 175.800 0.017 0.000 1.097 530 F CA 1.638 59.650 58.000 0.020 0.000 1.264 530 F CB -0.122 38.906 39.000 0.046 0.000 1.001 530 F HN 0.167 nan 8.300 nan 0.000 0.479 531 I N 0.254 120.845 120.570 0.035 0.000 2.151 531 I HA -0.361 3.801 4.170 -0.015 0.000 0.243 531 I C 2.590 178.648 176.117 -0.098 0.000 1.080 531 I CA 1.767 63.034 61.300 -0.054 0.000 1.339 531 I CB -0.542 37.477 38.000 0.032 0.000 1.039 531 I HN 0.112 nan 8.210 nan 0.000 0.409 532 R N 0.850 121.319 120.500 -0.051 0.000 2.092 532 R HA -0.184 4.147 4.340 -0.015 0.000 0.231 532 R C 1.852 178.100 176.300 -0.087 0.000 1.119 532 R CA 1.827 57.896 56.100 -0.051 0.000 0.970 532 R CB -0.135 30.155 30.300 -0.017 0.000 0.864 532 R HN 0.287 nan 8.270 nan 0.000 0.440 533 D N -0.141 120.186 120.400 -0.122 0.000 2.097 533 D HA -0.119 4.513 4.640 -0.015 0.000 0.197 533 D C 1.972 178.139 176.300 -0.221 0.000 0.984 533 D CA 1.272 55.184 54.000 -0.146 0.000 0.826 533 D CB -0.191 40.537 40.800 -0.120 0.000 0.973 533 D HN 0.083 nan 8.370 nan 0.000 0.460 534 V N 1.586 121.270 119.914 -0.385 0.000 2.287 534 V HA -0.264 3.847 4.120 -0.015 0.000 0.248 534 V C 2.542 178.542 176.094 -0.157 0.000 1.053 534 V CA 1.996 64.091 62.300 -0.341 0.000 1.027 534 V CB -0.853 30.690 31.823 -0.467 0.000 0.646 534 V HN 0.192 nan 8.190 nan 0.000 0.447 535 A N -0.579 122.169 122.820 -0.119 0.000 1.972 535 A HA -0.246 4.065 4.320 -0.015 0.000 0.219 535 A C 2.349 179.896 177.584 -0.062 0.000 1.169 535 A CA 2.085 54.086 52.037 -0.061 0.000 0.635 535 A CB -0.445 18.523 19.000 -0.053 0.000 0.810 535 A HN 0.551 nan 8.150 nan 0.000 0.446 536 K N -0.270 120.088 120.400 -0.070 0.000 2.062 536 K HA -0.052 4.259 4.320 -0.015 0.000 0.205 536 K C 1.805 178.378 176.600 -0.044 0.000 1.051 536 K CA 1.388 57.643 56.287 -0.053 0.000 0.941 536 K CB -0.234 32.238 32.500 -0.048 0.000 0.719 536 K HN 0.204 nan 8.250 nan 0.000 0.440 537 V N 1.900 121.782 119.914 -0.053 0.000 2.287 537 V HA -0.266 3.845 4.120 -0.015 0.000 0.248 537 V C 2.392 178.472 176.094 -0.024 0.000 1.053 537 V CA 2.064 64.342 62.300 -0.037 0.000 1.027 537 V CB -0.494 31.301 31.823 -0.047 0.000 0.646 537 V HN 0.359 nan 8.190 nan 0.000 0.447 538 K N 0.408 120.791 120.400 -0.027 0.000 2.032 538 K HA -0.241 4.070 4.320 -0.015 0.000 0.209 538 K C 2.181 178.755 176.600 -0.042 0.000 1.048 538 K CA 1.912 58.190 56.287 -0.016 0.000 0.927 538 K CB -0.568 31.937 32.500 0.009 0.000 0.712 538 K HN 0.392 nan 8.250 nan 0.000 0.441 539 Q N 1.011 120.779 119.800 -0.053 0.000 2.096 539 Q HA -0.138 4.193 4.340 -0.015 0.000 0.204 539 Q C 1.721 177.701 176.000 -0.034 0.000 0.982 539 Q CA 2.094 57.857 55.803 -0.065 0.000 0.850 539 Q CB -0.140 28.563 28.738 -0.058 0.000 0.901 539 Q HN 0.523 nan 8.270 nan 0.000 0.422 540 E N -0.478 119.714 120.200 -0.013 0.000 2.077 540 E HA -0.177 4.164 4.350 -0.015 0.000 0.193 540 E C 1.804 178.427 176.600 0.038 0.000 0.989 540 E CA 1.065 57.472 56.400 0.012 0.000 0.800 540 E CB -0.125 29.580 29.700 0.009 0.000 0.746 540 E HN 0.409 nan 8.360 nan 0.000 0.452 541 N N 1.008 119.727 118.700 0.032 0.000 2.120 541 N HA -0.148 4.583 4.740 -0.015 0.000 0.188 541 N C 1.531 177.113 175.510 0.120 0.000 1.024 541 N CA 1.117 54.205 53.050 0.064 0.000 0.852 541 N CB -0.120 38.390 38.487 0.037 0.000 1.003 541 N HN 0.138 nan 8.380 nan 0.000 0.424 542 K N 0.472 120.901 120.400 0.047 0.000 2.057 542 K HA 0.020 4.331 4.320 -0.015 0.000 0.206 542 K C 2.120 178.829 176.600 0.181 0.000 1.050 542 K CA 0.621 56.933 56.287 0.041 0.000 0.935 542 K CB -0.152 32.114 32.500 -0.390 0.000 0.715 542 K HN 0.100 nan 8.250 nan 0.000 0.439 543 L N 1.200 122.483 121.223 0.101 0.000 2.017 543 L HA -0.198 4.133 4.340 -0.015 0.000 0.208 543 L C 2.605 179.573 176.870 0.163 0.000 1.073 543 L CA 1.345 56.257 54.840 0.119 0.000 0.745 543 L CB -0.320 41.779 42.059 0.067 0.000 0.894 543 L HN 0.145 nan 8.230 nan 0.000 0.432 544 K N -0.311 120.187 120.400 0.164 0.000 2.032 544 K HA -0.247 4.064 4.320 -0.015 0.000 0.209 544 K C 2.190 178.946 176.600 0.259 0.000 1.048 544 K CA 1.783 58.178 56.287 0.180 0.000 0.927 544 K CB -0.196 32.396 32.500 0.152 0.000 0.712 544 K HN 0.091 nan 8.250 nan 0.000 0.441 545 F N 1.020 121.074 119.950 0.173 0.000 2.186 545 F HA -0.053 4.465 4.527 -0.015 0.000 0.299 545 F C 1.979 177.941 175.800 0.271 0.000 1.090 545 F CA 1.149 59.277 58.000 0.213 0.000 1.307 545 F CB -0.288 38.835 39.000 0.206 0.000 1.019 545 F HN 0.078 nan 8.300 nan 0.000 0.489 546 A N 0.157 123.174 122.820 0.328 0.000 1.933 546 A HA -0.069 4.242 4.320 -0.015 0.000 0.218 546 A C 2.382 180.030 177.584 0.106 0.000 1.175 546 A CA 1.715 53.883 52.037 0.219 0.000 0.628 546 A CB -1.421 17.758 19.000 0.298 0.000 0.814 546 A HN 0.437 nan 8.150 nan 0.000 0.444 547 A N -1.646 121.246 122.820 0.120 0.000 1.929 547 A HA -0.028 4.283 4.320 -0.015 0.000 0.216 547 A C 2.091 179.706 177.584 0.053 0.000 1.176 547 A CA 1.433 53.521 52.037 0.086 0.000 0.628 547 A CB -0.796 18.261 19.000 0.094 0.000 0.816 547 A HN 0.713 nan 8.150 nan 0.000 0.444 548 Y N 0.742 120.999 120.300 -0.072 0.000 2.114 548 Y HA -0.239 4.302 4.550 -0.015 0.000 0.282 548 Y C 1.938 177.759 175.900 -0.131 0.000 1.165 548 Y CA 2.039 60.070 58.100 -0.115 0.000 1.148 548 Y CB -0.293 38.065 38.460 -0.170 0.000 0.972 548 Y HN 0.224 nan 8.280 nan 0.000 0.504 549 L N -0.008 121.144 121.223 -0.119 0.000 2.042 549 L HA -0.232 4.099 4.340 -0.015 0.000 0.210 549 L C 2.449 179.262 176.870 -0.094 0.000 1.076 549 L CA 1.780 56.554 54.840 -0.111 0.000 0.749 549 L CB -0.556 41.414 42.059 -0.149 0.000 0.893 549 L HN 0.348 nan 8.230 nan 0.000 0.432 550 E N -0.169 119.990 120.200 -0.067 0.000 2.028 550 E HA -0.197 4.144 4.350 -0.015 0.000 0.191 550 E C 2.366 178.914 176.600 -0.087 0.000 0.988 550 E CA 0.981 57.361 56.400 -0.033 0.000 0.799 550 E CB -0.041 29.705 29.700 0.077 0.000 0.755 550 E HN 0.402 nan 8.360 nan 0.000 0.447 551 R N 0.504 120.930 120.500 -0.124 0.000 2.081 551 R HA -0.155 4.177 4.340 -0.015 0.000 0.235 551 R C 2.078 178.211 176.300 -0.279 0.000 1.131 551 R CA 1.368 57.373 56.100 -0.160 0.000 0.960 551 R CB -0.054 30.164 30.300 -0.135 0.000 0.856 551 R HN 0.051 nan 8.270 nan 0.000 0.436 552 E N -1.672 118.237 120.200 -0.484 0.000 2.415 552 E HA 0.003 4.344 4.350 -0.015 0.000 0.197 552 E C 0.044 176.100 176.600 -0.906 0.000 1.007 552 E CA 0.537 56.480 56.400 -0.762 0.000 0.890 552 E CB 0.547 29.528 29.700 -1.199 0.000 0.891 552 E HN 0.287 nan 8.360 nan 0.000 0.496 553 Y N -0.585 119.564 120.300 -0.251 0.000 2.729 553 Y HA 0.275 4.816 4.550 -0.015 0.000 0.266 553 Y C -0.236 175.575 175.900 -0.147 0.000 1.064 553 Y CA -0.637 57.366 58.100 -0.161 0.000 1.251 553 Y CB 0.948 39.323 38.460 -0.141 0.000 1.379 553 Y HN -0.254 nan 8.280 nan 0.000 0.569 554 K N 0.558 120.920 120.400 -0.064 0.000 3.077 554 K HA -0.128 4.183 4.320 -0.015 0.000 0.264 554 K C -0.569 175.854 176.600 -0.295 0.000 1.008 554 K CA 0.874 57.084 56.287 -0.128 0.000 0.740 554 K CB -2.321 30.137 32.500 -0.069 0.000 1.273 554 K HN 0.259 nan 8.250 nan 0.000 0.477 555 V N -2.359 117.382 119.914 -0.289 0.000 2.604 555 V HA 0.548 4.659 4.120 -0.015 0.000 0.305 555 V C 0.064 175.964 176.094 -0.323 0.000 1.043 555 V CA -0.999 61.087 62.300 -0.355 0.000 0.888 555 V CB 1.764 33.494 31.823 -0.155 0.000 0.995 555 V HN 0.319 nan 8.190 nan 0.000 0.429 556 H N 5.203 124.269 119.070 -0.007 0.000 2.541 556 H HA 0.769 5.316 4.556 -0.015 0.000 0.316 556 H C -0.045 175.282 175.328 -0.001 0.000 1.043 556 H CA -0.442 55.606 56.048 0.001 0.000 1.232 556 H CB 1.536 31.302 29.762 0.006 0.000 1.406 556 H HN 0.917 nan 8.280 nan 0.000 0.469 557 I N -0.411 120.233 120.570 0.124 0.000 2.846 557 I HA 0.469 4.630 4.170 -0.015 0.000 0.307 557 I C -0.356 175.844 176.117 0.139 0.000 1.053 557 I CA -1.354 60.002 61.300 0.092 0.000 1.050 557 I CB 2.089 40.112 38.000 0.039 0.000 1.239 557 I HN 0.337 nan 8.210 nan 0.000 0.439 558 N N 4.562 123.345 118.700 0.138 0.000 2.406 558 N HA 0.392 5.123 4.740 -0.015 0.000 0.251 558 N C -2.030 173.623 175.510 0.238 0.000 1.069 558 N CA -2.341 50.797 53.050 0.146 0.000 0.947 558 N CB 0.984 39.529 38.487 0.097 0.000 1.111 558 N HN 0.384 nan 8.380 nan 0.000 0.497 559 P HA 0.079 nan 4.420 nan 0.000 0.237 559 P C -0.118 177.171 177.300 -0.018 0.000 1.178 559 P CA 0.816 64.005 63.100 0.148 0.000 0.766 559 P CB 0.225 31.988 31.700 0.104 0.000 0.876 560 N N -1.004 117.720 118.700 0.040 0.000 2.422 560 N HA -0.012 4.719 4.740 -0.015 0.000 0.181 560 N C 0.487 176.031 175.510 0.056 0.000 1.080 560 N CA -0.018 53.045 53.050 0.022 0.000 0.893 560 N CB -0.017 38.493 38.487 0.038 0.000 0.973 560 N HN 0.130 nan 8.380 nan 0.000 0.456 561 S N 0.311 116.060 115.700 0.081 0.000 2.600 561 S HA 0.139 4.600 4.470 -0.015 0.000 0.265 561 S C 0.100 174.671 174.600 -0.049 0.000 1.325 561 S CA -0.877 57.352 58.200 0.049 0.000 1.002 561 S CB 0.932 64.190 63.200 0.096 0.000 0.921 561 S HN 0.206 nan 8.310 nan 0.000 0.554 562 L N 2.213 123.228 121.223 -0.346 0.000 2.418 562 L HA 0.343 4.674 4.340 -0.015 0.000 0.274 562 L C -0.793 176.054 176.870 -0.038 0.000 1.135 562 L CA -0.493 53.962 54.840 -0.642 0.000 0.870 562 L CB -0.274 41.115 42.059 -1.117 0.000 1.154 562 L HN 0.705 nan 8.230 nan 0.000 0.462 563 F N 4.338 124.157 119.950 -0.217 0.000 2.439 563 F HA 0.079 4.598 4.527 -0.014 0.000 0.356 563 F C 0.498 176.233 175.800 -0.107 0.000 1.161 563 F CA -0.766 57.173 58.000 -0.102 0.000 1.151 563 F CB 0.424 39.410 39.000 -0.025 0.000 1.222 563 F HN 0.533 nan 8.300 nan 0.000 0.558 564 D N 4.863 125.261 120.400 -0.002 0.000 2.396 564 D HA 0.221 4.852 4.640 -0.015 0.000 0.225 564 D C -1.063 175.175 176.300 -0.104 0.000 1.121 564 D CA -0.067 53.890 54.000 -0.072 0.000 0.853 564 D CB 1.412 42.155 40.800 -0.096 0.000 1.043 564 D HN 0.258 nan 8.370 nan 0.000 0.500 565 V N 3.426 123.261 119.914 -0.132 0.000 2.588 565 V HA 0.524 4.635 4.120 -0.015 0.000 0.304 565 V C -1.362 174.576 176.094 -0.260 0.000 1.042 565 V CA -0.652 61.549 62.300 -0.164 0.000 0.877 565 V CB 1.806 33.587 31.823 -0.071 0.000 0.996 565 V HN 0.535 nan 8.190 nan 0.000 0.425 566 Q N 4.872 124.537 119.800 -0.225 0.000 2.401 566 Q HA 0.650 4.981 4.340 -0.015 0.000 0.260 566 Q C -1.368 174.464 176.000 -0.280 0.000 1.034 566 Q CA -0.634 55.024 55.803 -0.241 0.000 0.737 566 Q CB 1.798 30.423 28.738 -0.188 0.000 1.227 566 Q HN 1.051 nan 8.270 nan 0.000 0.488 567 V N 1.681 121.418 119.914 -0.296 0.000 2.444 567 V HA 0.861 4.972 4.120 -0.015 0.000 0.294 567 V C -0.908 174.919 176.094 -0.445 0.000 1.022 567 V CA -0.560 61.388 62.300 -0.586 0.000 0.850 567 V CB 1.107 32.358 31.823 -0.954 0.000 0.992 567 V HN 0.819 nan 8.190 nan 0.000 0.426 568 K N 2.582 122.760 120.400 -0.369 0.000 3.040 568 K HA 0.427 4.739 4.320 -0.015 0.000 0.300 568 K C -1.223 175.371 176.600 -0.009 0.000 1.092 568 K CA -1.204 55.042 56.287 -0.067 0.000 0.831 568 K CB 0.841 33.294 32.500 -0.079 0.000 1.469 568 K HN 0.433 nan 8.250 nan 0.000 0.365 569 R N 1.022 121.568 120.500 0.076 0.000 2.698 569 R HA 0.136 4.467 4.340 -0.015 0.000 0.266 569 R C 0.349 176.670 176.300 0.036 0.000 1.026 569 R CA -0.262 55.897 56.100 0.098 0.000 1.102 569 R CB -0.155 30.227 30.300 0.137 0.000 0.978 569 R HN 0.487 nan 8.270 nan 0.000 0.436 570 I N 3.669 124.273 120.570 0.057 0.000 2.436 570 I HA 0.091 4.252 4.170 -0.015 0.000 0.289 570 I C 0.494 176.598 176.117 -0.022 0.000 1.083 570 I CA 0.367 61.654 61.300 -0.021 0.000 1.372 570 I CB -0.507 37.470 38.000 -0.039 0.000 1.408 570 I HN 0.514 nan 8.210 nan 0.000 0.516 571 H N 3.510 122.479 119.070 -0.169 0.000 2.996 571 H HA 0.228 4.775 4.556 -0.015 0.000 0.368 571 H C 0.705 175.909 175.328 -0.207 0.000 1.185 571 H CA -0.463 55.529 56.048 -0.094 0.000 1.160 571 H CB 1.921 31.653 29.762 -0.051 0.000 1.820 571 H HN 0.567 nan 8.280 nan 0.000 0.547 572 E N 1.796 121.986 120.200 -0.017 0.000 2.130 572 E HA -0.305 4.036 4.350 -0.015 0.000 0.196 572 E C 1.203 177.619 176.600 -0.306 0.000 0.998 572 E CA 1.921 58.314 56.400 -0.011 0.000 0.806 572 E CB -0.083 29.765 29.700 0.247 0.000 0.738 572 E HN 0.651 nan 8.360 nan 0.000 0.459 573 Y N 0.652 120.590 120.300 -0.602 0.000 2.352 573 Y HA -0.022 4.519 4.550 -0.015 0.000 0.292 573 Y C 1.517 177.169 175.900 -0.413 0.000 1.136 573 Y CA 0.877 58.352 58.100 -1.041 0.000 1.227 573 Y CB -0.095 37.729 38.460 -1.060 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.545 574 K N 0.719 120.673 120.400 -0.743 0.000 2.432 574 K HA 0.078 4.389 4.320 -0.015 0.000 0.196 574 K C 0.135 176.567 176.600 -0.280 0.000 1.038 574 K CA 0.487 56.449 56.287 -0.541 0.000 0.986 574 K CB -0.028 32.137 32.500 -0.558 0.000 0.782 574 K HN 0.240 nan 8.250 nan 0.000 0.485 575 R N 0.344 120.708 120.500 -0.227 0.000 3.422 575 R HA -0.241 4.090 4.340 -0.015 0.000 0.267 575 R C 0.275 176.493 176.300 -0.137 0.000 1.074 575 R CA 0.248 56.262 56.100 -0.143 0.000 0.718 575 R CB -1.984 28.248 30.300 -0.112 0.000 1.157 575 R HN 0.305 nan 8.270 nan 0.000 0.440 576 Q N 0.371 120.089 119.800 -0.138 0.000 2.197 576 Q HA -0.104 4.227 4.340 -0.015 0.000 0.207 576 Q C 2.043 177.990 176.000 -0.089 0.000 0.984 576 Q CA 1.666 57.402 55.803 -0.111 0.000 0.869 576 Q CB -0.035 28.642 28.738 -0.102 0.000 0.906 576 Q HN 0.591 nan 8.270 nan 0.000 0.426 577 L N -0.663 120.509 121.223 -0.086 0.000 2.083 577 L HA -0.176 4.155 4.340 -0.015 0.000 0.209 577 L C 2.033 178.896 176.870 -0.013 0.000 1.083 577 L CA 0.498 55.301 54.840 -0.062 0.000 0.752 577 L CB -0.342 41.687 42.059 -0.050 0.000 0.899 577 L HN 0.302 nan 8.230 nan 0.000 0.433 578 L N 0.055 121.262 121.223 -0.026 0.000 2.046 578 L HA -0.247 4.084 4.340 -0.015 0.000 0.208 578 L C 2.040 178.942 176.870 0.053 0.000 1.077 578 L CA 1.917 56.746 54.840 -0.018 0.000 0.747 578 L CB -0.813 41.128 42.059 -0.195 0.000 0.896 578 L HN 0.287 nan 8.230 nan 0.000 0.432 579 N N -1.636 117.069 118.700 0.009 0.000 2.069 579 N HA -0.246 4.485 4.740 -0.015 0.000 0.191 579 N C 1.950 177.535 175.510 0.125 0.000 1.031 579 N CA 1.719 54.856 53.050 0.145 0.000 0.852 579 N CB -0.154 38.354 38.487 0.035 0.000 1.018 579 N HN 0.498 nan 8.380 nan 0.000 0.423 580 C N 0.562 119.871 119.300 0.015 0.000 2.413 580 C HA -0.093 4.358 4.460 -0.015 0.000 0.276 580 C C 2.595 177.569 174.990 -0.026 0.000 1.248 580 C CA 0.420 59.401 59.018 -0.061 0.000 1.742 580 C CB -1.272 26.379 27.740 -0.148 0.000 2.017 580 C HN 0.501 nan 8.230 nan 0.000 0.481 581 L N -0.500 120.766 121.223 0.073 0.000 2.046 581 L HA -0.189 4.142 4.340 -0.015 0.000 0.208 581 L C 2.774 179.793 176.870 0.249 0.000 1.077 581 L CA 1.790 56.720 54.840 0.150 0.000 0.747 581 L CB -1.072 41.131 42.059 0.240 0.000 0.896 581 L HN 0.572 nan 8.230 nan 0.000 0.432 582 H N 0.067 119.250 119.070 0.189 0.000 2.319 582 H HA -0.158 4.389 4.556 -0.015 0.000 0.299 582 H C 2.251 177.573 175.328 -0.010 0.000 1.092 582 H CA 2.079 58.155 56.048 0.047 0.000 1.302 582 H CB 0.275 29.998 29.762 -0.064 0.000 1.373 582 H HN 0.089 nan 8.280 nan 0.000 0.497 583 V N 1.554 121.397 119.914 -0.119 0.000 2.282 583 V HA -0.293 3.818 4.120 -0.015 0.000 0.249 583 V C 2.834 178.861 176.094 -0.111 0.000 1.057 583 V CA 2.051 64.245 62.300 -0.177 0.000 1.032 583 V CB -0.533 31.227 31.823 -0.104 0.000 0.645 583 V HN 0.398 nan 8.190 nan 0.000 0.447 584 I N -0.301 120.238 120.570 -0.051 0.000 2.394 584 I HA -0.201 3.960 4.170 -0.015 0.000 0.251 584 I C 2.481 178.648 176.117 0.083 0.000 1.136 584 I CA 1.593 62.929 61.300 0.060 0.000 1.425 584 I CB -0.655 37.354 38.000 0.015 0.000 1.079 584 I HN 0.325 nan 8.210 nan 0.000 0.425 585 T N 1.218 115.779 114.554 0.012 0.000 2.708 585 T HA -0.149 4.192 4.350 -0.015 0.000 0.266 585 T C 1.874 176.525 174.700 -0.083 0.000 1.037 585 T CA 1.225 63.323 62.100 -0.003 0.000 1.146 585 T CB -0.234 68.659 68.868 0.042 0.000 0.865 585 T HN 0.077 nan 8.240 nan 0.000 0.435 586 L N 0.118 121.225 121.223 -0.194 0.000 2.046 586 L HA -0.012 4.319 4.340 -0.015 0.000 0.208 586 L C 2.106 178.935 176.870 -0.068 0.000 1.077 586 L CA 1.560 56.285 54.840 -0.192 0.000 0.747 586 L CB -1.108 40.767 42.059 -0.306 0.000 0.896 586 L HN 0.367 nan 8.230 nan 0.000 0.432 587 Y N 0.220 120.454 120.300 -0.110 0.000 2.181 587 Y HA -0.284 4.257 4.550 -0.015 0.000 0.288 587 Y C 2.418 178.294 175.900 -0.039 0.000 1.146 587 Y CA 1.821 59.895 58.100 -0.045 0.000 1.164 587 Y CB -0.070 38.408 38.460 0.030 0.000 0.982 587 Y HN 0.278 nan 8.280 nan 0.000 0.515 588 N N 0.409 119.057 118.700 -0.087 0.000 2.188 588 N HA -0.124 4.607 4.740 -0.015 0.000 0.184 588 N C 1.826 177.223 175.510 -0.189 0.000 1.018 588 N CA 1.393 54.330 53.050 -0.188 0.000 0.858 588 N CB -0.348 38.091 38.487 -0.081 0.000 0.989 588 N HN 0.431 nan 8.380 nan 0.000 0.426 589 R N 0.426 120.843 120.500 -0.139 0.000 2.081 589 R HA 0.054 4.385 4.340 -0.015 0.000 0.235 589 R C 2.207 178.422 176.300 -0.142 0.000 1.131 589 R CA 0.809 56.836 56.100 -0.123 0.000 0.960 589 R CB -0.261 29.977 30.300 -0.103 0.000 0.856 589 R HN 0.236 nan 8.270 nan 0.000 0.436 590 I N 0.931 121.397 120.570 -0.173 0.000 2.179 590 I HA -0.276 3.885 4.170 -0.015 0.000 0.242 590 I C 2.099 178.097 176.117 -0.198 0.000 1.088 590 I CA 1.218 62.415 61.300 -0.172 0.000 1.357 590 I CB -0.192 37.711 38.000 -0.162 0.000 1.051 590 I HN 0.021 nan 8.210 nan 0.000 0.409 591 K N 0.817 121.033 120.400 -0.306 0.000 2.209 591 K HA -0.191 4.120 4.320 -0.015 0.000 0.204 591 K C 1.998 178.496 176.600 -0.172 0.000 1.048 591 K CA 1.160 57.279 56.287 -0.280 0.000 0.940 591 K CB -0.266 31.982 32.500 -0.421 0.000 0.729 591 K HN 0.338 nan 8.250 nan 0.000 0.451 592 K N 1.029 121.337 120.400 -0.154 0.000 2.044 592 K HA -0.059 4.252 4.320 -0.015 0.000 0.204 592 K C 0.079 176.630 176.600 -0.081 0.000 1.049 592 K CA 0.972 57.195 56.287 -0.106 0.000 0.945 592 K CB 0.379 32.821 32.500 -0.098 0.000 0.724 592 K HN 0.062 nan 8.250 nan 0.000 0.440 593 E N 0.260 120.411 120.200 -0.082 0.000 3.037 593 E HA 0.118 4.459 4.350 -0.015 0.000 0.220 593 E C -2.326 174.239 176.600 -0.059 0.000 1.142 593 E CA -1.592 54.773 56.400 -0.058 0.000 0.888 593 E CB 1.686 31.358 29.700 -0.046 0.000 1.329 593 E HN 0.136 nan 8.360 nan 0.000 0.409 594 P HA -0.129 nan 4.420 nan 0.000 0.218 594 P C 0.244 177.525 177.300 -0.032 0.000 1.149 594 P CA 1.175 64.242 63.100 -0.055 0.000 0.817 594 P CB 0.191 31.863 31.700 -0.047 0.000 0.785 595 N N -1.113 117.577 118.700 -0.017 0.000 2.276 595 N HA 0.017 4.748 4.740 -0.015 0.000 0.212 595 N C 0.529 176.053 175.510 0.023 0.000 1.127 595 N CA -0.112 52.941 53.050 0.005 0.000 0.834 595 N CB 0.096 38.586 38.487 0.005 0.000 1.014 595 N HN 0.019 nan 8.380 nan 0.000 0.491 596 K N 1.173 121.581 120.400 0.014 0.000 2.130 596 K HA 0.162 4.473 4.320 -0.015 0.000 0.268 596 K C -0.964 175.674 176.600 0.064 0.000 0.983 596 K CA -0.591 55.721 56.287 0.041 0.000 0.893 596 K CB 0.768 33.273 32.500 0.010 0.000 1.066 596 K HN -0.064 nan 8.250 nan 0.000 0.450 597 F N 4.405 124.341 119.950 -0.024 0.000 2.456 597 F HA 0.207 4.725 4.527 -0.015 0.000 0.358 597 F C -0.369 175.415 175.800 -0.026 0.000 1.095 597 F CA -0.133 57.854 58.000 -0.022 0.000 1.216 597 F CB 0.636 39.626 39.000 -0.017 0.000 1.125 597 F HN 0.185 nan 8.300 nan 0.000 0.549 598 V N 4.313 123.691 119.914 -0.894 0.000 2.789 598 V HA 0.546 4.657 4.120 -0.015 0.000 0.311 598 V C -0.686 174.780 176.094 -1.047 0.000 1.073 598 V CA -1.219 60.652 62.300 -0.716 0.000 0.921 598 V CB 1.004 32.611 31.823 -0.359 0.000 1.009 598 V HN 0.583 nan 8.190 nan 0.000 0.426 599 V N 5.015 124.596 119.914 -0.556 0.000 2.493 599 V HA 0.173 4.284 4.120 -0.015 0.000 0.292 599 V C -1.786 174.135 176.094 -0.288 0.000 1.016 599 V CA -0.303 61.814 62.300 -0.306 0.000 1.097 599 V CB 0.251 32.020 31.823 -0.090 0.000 0.947 599 V HN 0.909 nan 8.190 nan 0.000 0.479 600 P HA 0.384 nan 4.420 nan 0.000 0.271 600 P C -0.449 176.755 177.300 -0.159 0.000 1.218 600 P CA -0.230 62.772 63.100 -0.163 0.000 0.780 600 P CB 0.613 32.265 31.700 -0.080 0.000 0.901 601 R N 0.743 121.164 120.500 -0.131 0.000 2.686 601 R HA 0.532 4.863 4.340 -0.015 0.000 0.283 601 R C -0.793 175.464 176.300 -0.071 0.000 0.978 601 R CA -0.599 55.426 56.100 -0.124 0.000 0.897 601 R CB 1.945 32.158 30.300 -0.146 0.000 1.192 601 R HN 0.323 nan 8.270 nan 0.000 0.457 602 T N 2.248 116.777 114.554 -0.042 0.000 2.770 602 T HA 0.242 4.583 4.350 -0.015 0.000 0.297 602 T C -0.264 174.343 174.700 -0.156 0.000 0.997 602 T CA -0.482 61.547 62.100 -0.119 0.000 0.949 602 T CB 1.127 69.846 68.868 -0.247 0.000 0.941 602 T HN 0.127 nan 8.240 nan 0.000 0.457 603 V N 5.945 125.778 119.914 -0.135 0.000 2.348 603 V HA 0.394 4.505 4.120 -0.015 0.000 0.270 603 V C 0.064 176.075 176.094 -0.139 0.000 1.037 603 V CA -0.428 61.799 62.300 -0.123 0.000 0.872 603 V CB 0.561 32.329 31.823 -0.092 0.000 1.002 603 V HN 0.864 nan 8.190 nan 0.000 0.464 604 M N 6.703 126.209 119.600 -0.157 0.000 2.227 604 M HA 0.618 5.089 4.480 -0.015 0.000 0.335 604 M C -0.945 175.241 176.300 -0.190 0.000 1.053 604 M CA -0.143 55.056 55.300 -0.169 0.000 0.973 604 M CB 1.899 34.397 32.600 -0.170 0.000 1.623 604 M HN 0.413 nan 8.290 nan 0.000 0.434 605 I N 1.817 122.253 120.570 -0.224 0.000 2.498 605 I HA 0.848 5.009 4.170 -0.015 0.000 0.290 605 I C 0.075 175.840 176.117 -0.587 0.000 1.032 605 I CA -0.668 60.464 61.300 -0.279 0.000 1.073 605 I CB 2.324 40.249 38.000 -0.125 0.000 1.251 605 I HN 0.803 nan 8.210 nan 0.000 0.426 606 G N 2.864 111.291 108.800 -0.620 0.000 2.690 606 G HA2 0.826 4.777 3.960 -0.015 0.000 0.293 606 G HA3 0.826 4.777 3.960 -0.015 0.000 0.293 606 G C -1.028 173.570 174.900 -0.504 0.000 1.399 606 G CA -0.720 43.870 45.100 -0.849 0.000 0.890 606 G HN 1.004 nan 8.290 nan 0.000 0.485 607 G N -0.379 108.279 108.800 -0.238 0.000 2.352 607 G HA2 0.400 4.351 3.960 -0.015 0.000 0.305 607 G HA3 0.400 4.351 3.960 -0.015 0.000 0.305 607 G C -1.263 173.782 174.900 0.240 0.000 1.537 607 G CA -1.044 44.097 45.100 0.068 0.000 0.959 607 G HN 0.605 nan 8.290 nan 0.000 0.668 608 K N -0.080 120.459 120.400 0.231 0.000 2.118 608 K HA 0.733 5.044 4.320 -0.015 0.000 0.267 608 K C 0.310 177.069 176.600 0.264 0.000 0.991 608 K CA -0.132 56.318 56.287 0.270 0.000 0.916 608 K CB 1.959 34.526 32.500 0.112 0.000 1.041 608 K HN 0.866 nan 8.250 nan 0.000 0.455 609 A N 1.468 124.476 122.820 0.312 0.000 2.305 609 A HA 0.616 4.927 4.320 -0.015 0.000 0.322 609 A C -0.426 177.367 177.584 0.348 0.000 1.187 609 A CA -0.723 51.449 52.037 0.224 0.000 0.825 609 A CB 0.973 20.019 19.000 0.077 0.000 1.164 609 A HN 0.775 nan 8.150 nan 0.000 0.498 610 A N 3.727 126.749 122.820 0.336 0.000 2.520 610 A HA 0.476 4.787 4.320 -0.015 0.000 0.245 610 A C -1.349 176.362 177.584 0.212 0.000 1.072 610 A CA -0.863 51.376 52.037 0.337 0.000 0.761 610 A CB -0.361 18.841 19.000 0.336 0.000 1.004 610 A HN 0.606 nan 8.150 nan 0.000 0.499 611 P HA -0.167 nan 4.420 nan 0.000 0.217 611 P C 1.330 178.648 177.300 0.030 0.000 1.151 611 P CA 2.062 65.135 63.100 -0.044 0.000 0.849 611 P CB 0.207 31.832 31.700 -0.124 0.000 0.787 612 G N -3.185 105.665 108.800 0.083 0.000 3.088 612 G HA2 -0.074 3.877 3.960 -0.015 0.000 0.217 612 G HA3 -0.074 3.877 3.960 -0.015 0.000 0.217 612 G C -0.224 174.751 174.900 0.126 0.000 1.159 612 G CA -0.130 45.018 45.100 0.081 0.000 0.760 612 G HN 0.309 nan 8.290 nan 0.000 0.550 613 Y N 1.579 121.874 120.300 -0.008 0.000 2.595 613 Y HA 0.205 4.746 4.550 -0.015 0.000 0.347 613 Y C 1.592 177.502 175.900 0.017 0.000 1.025 613 Y CA -1.067 57.008 58.100 -0.041 0.000 1.295 613 Y CB 0.226 38.645 38.460 -0.069 0.000 1.147 613 Y HN 0.291 nan 8.280 nan 0.000 0.515 614 H N 4.444 123.644 119.070 0.217 0.000 2.321 614 H HA -0.200 4.348 4.556 -0.015 0.000 0.300 614 H C 1.805 177.172 175.328 0.064 0.000 1.087 614 H CA 2.194 58.309 56.048 0.112 0.000 1.319 614 H CB 0.393 30.211 29.762 0.092 0.000 1.379 614 H HN 0.742 nan 8.280 nan 0.000 0.501 615 M N 1.180 120.779 119.600 -0.003 0.000 2.108 615 M HA -0.113 4.358 4.480 -0.015 0.000 0.261 615 M C 2.558 178.623 176.300 -0.392 0.000 1.066 615 M CA 1.918 57.119 55.300 -0.164 0.000 1.107 615 M CB -0.793 31.833 32.600 0.044 0.000 1.356 615 M HN 0.352 nan 8.290 nan 0.000 0.406 616 A N -0.471 121.888 122.820 -0.767 0.000 1.933 616 A HA -0.191 4.120 4.320 -0.015 0.000 0.218 616 A C 2.205 179.595 177.584 -0.324 0.000 1.175 616 A CA 1.834 53.448 52.037 -0.705 0.000 0.628 616 A CB -0.660 17.722 19.000 -1.030 0.000 0.814 616 A HN 0.577 nan 8.150 nan 0.000 0.444 617 K N -1.147 119.122 120.400 -0.220 0.000 2.097 617 K HA -0.061 4.250 4.320 -0.015 0.000 0.205 617 K C 1.908 178.465 176.600 -0.071 0.000 1.050 617 K CA 1.243 57.488 56.287 -0.070 0.000 0.938 617 K CB -0.234 32.295 32.500 0.048 0.000 0.718 617 K HN 0.358 nan 8.250 nan 0.000 0.442 618 M N 0.523 120.029 119.600 -0.156 0.000 2.229 618 M HA -0.077 4.394 4.480 -0.015 0.000 0.264 618 M C 2.117 178.349 176.300 -0.114 0.000 1.063 618 M CA 1.334 56.572 55.300 -0.104 0.000 1.114 618 M CB -0.668 31.848 32.600 -0.141 0.000 1.387 618 M HN 0.110 nan 8.290 nan 0.000 0.420 619 I N -0.193 120.272 120.570 -0.176 0.000 2.252 619 I HA -0.293 3.868 4.170 -0.015 0.000 0.245 619 I C 2.286 178.274 176.117 -0.216 0.000 1.102 619 I CA 1.032 62.219 61.300 -0.188 0.000 1.385 619 I CB -0.297 37.589 38.000 -0.190 0.000 1.064 619 I HN 0.157 nan 8.210 nan 0.000 0.414 620 I N 0.686 121.108 120.570 -0.246 0.000 2.163 620 I HA -0.326 3.835 4.170 -0.015 0.000 0.243 620 I C 2.605 178.436 176.117 -0.477 0.000 1.085 620 I CA 1.337 62.390 61.300 -0.413 0.000 1.347 620 I CB -0.318 37.402 38.000 -0.466 0.000 1.044 620 I HN 0.152 nan 8.210 nan 0.000 0.408 621 K N 1.437 121.564 120.400 -0.455 0.000 2.063 621 K HA -0.164 4.147 4.320 -0.015 0.000 0.208 621 K C 2.030 178.477 176.600 -0.255 0.000 1.048 621 K CA 1.541 57.487 56.287 -0.568 0.000 0.928 621 K CB -0.602 31.274 32.500 -1.040 0.000 0.713 621 K HN 0.242 nan 8.250 nan 0.000 0.442 622 L N 0.329 121.437 121.223 -0.192 0.000 2.012 622 L HA -0.189 4.143 4.340 -0.015 0.000 0.210 622 L C 2.213 178.856 176.870 -0.379 0.000 1.073 622 L CA 1.765 56.327 54.840 -0.463 0.000 0.748 622 L CB -0.296 41.397 42.059 -0.611 0.000 0.891 622 L HN 0.271 nan 8.230 nan 0.000 0.431 623 I N -0.269 120.131 120.570 -0.285 0.000 2.163 623 I HA -0.339 3.822 4.170 -0.015 0.000 0.243 623 I C 2.660 178.680 176.117 -0.161 0.000 1.085 623 I CA 1.940 63.127 61.300 -0.189 0.000 1.347 623 I CB -0.600 37.377 38.000 -0.040 0.000 1.044 623 I HN 0.435 nan 8.210 nan 0.000 0.408 624 T N -0.750 113.681 114.554 -0.204 0.000 2.821 624 T HA -0.093 4.248 4.350 -0.015 0.000 0.267 624 T C 1.982 176.621 174.700 -0.102 0.000 1.046 624 T CA 1.001 63.009 62.100 -0.153 0.000 1.139 624 T CB -0.459 68.273 68.868 -0.226 0.000 0.871 624 T HN 0.335 nan 8.240 nan 0.000 0.454 625 A N 1.493 124.252 122.820 -0.102 0.000 1.902 625 A HA 0.140 4.451 4.320 -0.015 0.000 0.217 625 A C 2.386 179.997 177.584 0.045 0.000 1.181 625 A CA 1.345 53.391 52.037 0.016 0.000 0.623 625 A CB -0.828 18.276 19.000 0.174 0.000 0.818 625 A HN 0.598 nan 8.150 nan 0.000 0.443 626 I N -0.202 120.293 120.570 -0.124 0.000 2.179 626 I HA -0.222 3.939 4.170 -0.015 0.000 0.242 626 I C 2.742 178.825 176.117 -0.056 0.000 1.088 626 I CA 1.175 62.389 61.300 -0.143 0.000 1.357 626 I CB -0.701 37.082 38.000 -0.361 0.000 1.051 626 I HN 0.389 nan 8.210 nan 0.000 0.409 627 G N 0.561 109.316 108.800 -0.075 0.000 2.476 627 G HA2 -0.302 3.649 3.960 -0.015 0.000 0.218 627 G HA3 -0.302 3.649 3.960 -0.015 0.000 0.218 627 G C 1.274 176.161 174.900 -0.022 0.000 1.164 627 G CA 1.260 46.323 45.100 -0.062 0.000 0.768 627 G HN 0.291 nan 8.290 nan 0.000 0.560 628 D N -0.040 120.388 120.400 0.046 0.000 2.133 628 D HA -0.103 4.528 4.640 -0.015 0.000 0.195 628 D C 2.729 179.140 176.300 0.185 0.000 0.997 628 D CA 0.944 55.039 54.000 0.158 0.000 0.840 628 D CB -0.375 40.477 40.800 0.086 0.000 0.947 628 D HN 0.247 nan 8.370 nan 0.000 0.452 629 V N 0.153 120.103 119.914 0.062 0.000 2.302 629 V HA -0.144 3.967 4.120 -0.015 0.000 0.243 629 V C 2.596 178.636 176.094 -0.091 0.000 1.036 629 V CA 0.826 63.105 62.300 -0.035 0.000 1.020 629 V CB -0.286 31.473 31.823 -0.106 0.000 0.657 629 V HN 0.038 nan 8.190 nan 0.000 0.453 630 V N 0.865 120.671 119.914 -0.180 0.000 2.358 630 V HA -0.190 3.921 4.120 -0.015 0.000 0.246 630 V C 2.158 178.206 176.094 -0.077 0.000 1.047 630 V CA 1.995 64.176 62.300 -0.199 0.000 1.035 630 V CB -0.822 30.882 31.823 -0.198 0.000 0.658 630 V HN 0.562 nan 8.190 nan 0.000 0.452 631 N N -0.349 118.256 118.700 -0.159 0.000 2.512 631 N HA -0.079 4.652 4.740 -0.015 0.000 0.183 631 N C 1.205 176.469 175.510 -0.411 0.000 1.073 631 N CA 0.888 53.760 53.050 -0.296 0.000 0.911 631 N CB -0.259 37.982 38.487 -0.411 0.000 0.964 631 N HN 0.681 nan 8.380 nan 0.000 0.447 632 H N -1.429 117.646 119.070 0.008 0.000 2.592 632 H HA 0.206 4.753 4.556 -0.015 0.000 0.279 632 H C -0.506 174.841 175.328 0.031 0.000 1.089 632 H CA -0.459 55.598 56.048 0.014 0.000 1.150 632 H CB 0.594 30.354 29.762 -0.003 0.000 1.575 632 H HN -0.015 nan 8.280 nan 0.000 0.547 633 D N 2.369 122.846 120.400 0.128 0.000 2.339 633 D HA 0.027 4.658 4.640 -0.015 0.000 0.241 633 D C -1.454 174.908 176.300 0.103 0.000 1.183 633 D CA -2.045 52.044 54.000 0.148 0.000 0.859 633 D CB 1.681 42.646 40.800 0.275 0.000 1.067 633 D HN 0.155 nan 8.370 nan 0.000 0.484 634 P HA -0.112 nan 4.420 nan 0.000 0.220 634 P C 1.532 178.856 177.300 0.040 0.000 1.148 634 P CA 0.356 63.488 63.100 0.054 0.000 0.803 634 P CB 0.521 32.248 31.700 0.045 0.000 0.782 635 V N -0.046 119.892 119.914 0.041 0.000 2.515 635 V HA -0.148 3.963 4.120 -0.015 0.000 0.250 635 V C 2.754 178.854 176.094 0.010 0.000 1.058 635 V CA 1.360 63.670 62.300 0.016 0.000 1.064 635 V CB -0.949 30.873 31.823 -0.002 0.000 0.675 635 V HN -0.042 nan 8.190 nan 0.000 0.461 636 V N -0.095 119.843 119.914 0.040 0.000 2.379 636 V HA 0.106 4.217 4.120 -0.015 0.000 0.245 636 V C 1.821 177.925 176.094 0.016 0.000 1.044 636 V CA 1.567 63.890 62.300 0.038 0.000 1.036 636 V CB -1.238 30.654 31.823 0.115 0.000 0.664 636 V HN 0.728 nan 8.190 nan 0.000 0.453 637 G N 1.599 110.414 108.800 0.024 0.000 2.550 637 G HA2 -0.374 3.578 3.960 -0.015 0.000 0.277 637 G HA3 -0.374 3.578 3.960 -0.015 0.000 0.277 637 G C 0.343 175.248 174.900 0.008 0.000 1.190 637 G CA 0.449 45.558 45.100 0.015 0.000 0.971 637 G HN 0.672 nan 8.290 nan 0.000 0.559 638 D N 0.472 120.875 120.400 0.005 0.000 2.358 638 D HA 0.157 4.788 4.640 -0.015 0.000 0.224 638 D C 1.848 178.141 176.300 -0.012 0.000 1.123 638 D CA 0.127 54.130 54.000 0.004 0.000 0.833 638 D CB -0.117 40.695 40.800 0.020 0.000 0.946 638 D HN 0.596 nan 8.370 nan 0.000 0.505 639 R N -0.731 119.751 120.500 -0.030 0.000 2.200 639 R HA 0.207 4.538 4.340 -0.015 0.000 0.208 639 R C -0.067 176.189 176.300 -0.074 0.000 1.033 639 R CA 0.208 56.265 56.100 -0.071 0.000 1.000 639 R CB 0.329 30.567 30.300 -0.103 0.000 0.906 639 R HN 0.103 nan 8.270 nan 0.000 0.462 640 L N 0.724 121.921 121.223 -0.044 0.000 2.516 640 L HA 0.376 4.707 4.340 -0.015 0.000 0.267 640 L C -1.552 175.293 176.870 -0.042 0.000 0.957 640 L CA -0.470 54.343 54.840 -0.045 0.000 0.860 640 L CB 1.739 43.785 42.059 -0.022 0.000 1.265 640 L HN -0.178 nan 8.230 nan 0.000 0.403 641 R N 3.916 124.378 120.500 -0.062 0.000 2.621 641 R HA 0.781 5.112 4.340 -0.015 0.000 0.292 641 R C -1.611 174.633 176.300 -0.094 0.000 0.969 641 R CA -0.796 55.257 56.100 -0.078 0.000 0.887 641 R CB 2.447 32.704 30.300 -0.073 0.000 1.180 641 R HN 0.403 nan 8.270 nan 0.000 0.450 642 V N 4.958 124.814 119.914 -0.097 0.000 2.407 642 V HA 0.470 4.581 4.120 -0.015 0.000 0.291 642 V C -0.398 175.648 176.094 -0.078 0.000 1.018 642 V CA -0.693 61.551 62.300 -0.092 0.000 0.842 642 V CB 1.664 33.431 31.823 -0.093 0.000 0.996 642 V HN 0.546 nan 8.190 nan 0.000 0.426 643 I N 4.953 125.476 120.570 -0.078 0.000 2.465 643 I HA 0.434 4.595 4.170 -0.015 0.000 0.291 643 I C -0.644 175.455 176.117 -0.029 0.000 1.014 643 I CA -0.329 60.936 61.300 -0.059 0.000 1.093 643 I CB 1.881 39.824 38.000 -0.095 0.000 1.267 643 I HN 0.544 nan 8.210 nan 0.000 0.431 644 F N 7.227 127.109 119.950 -0.113 0.000 2.404 644 F HA 0.450 4.968 4.527 -0.014 0.000 0.358 644 F C -0.479 175.256 175.800 -0.108 0.000 1.120 644 F CA -0.608 57.328 58.000 -0.106 0.000 1.144 644 F CB 0.602 39.542 39.000 -0.101 0.000 1.133 644 F HN 0.171 nan 8.300 nan 0.000 0.495 645 L N 6.265 127.121 121.223 -0.611 0.000 2.407 645 L HA 0.149 4.480 4.340 -0.015 0.000 0.282 645 L C 0.268 176.908 176.870 -0.383 0.000 1.110 645 L CA 0.118 54.718 54.840 -0.400 0.000 0.863 645 L CB 0.145 42.033 42.059 -0.284 0.000 1.207 645 L HN 0.610 nan 8.230 nan 0.000 0.454 646 E N 3.657 123.763 120.200 -0.156 0.000 2.354 646 E HA 0.009 4.350 4.350 -0.015 0.000 0.269 646 E C 0.419 177.076 176.600 0.095 0.000 1.036 646 E CA -0.329 56.108 56.400 0.063 0.000 0.876 646 E CB 0.366 30.083 29.700 0.028 0.000 1.009 646 E HN 0.542 nan 8.360 nan 0.000 0.416 647 N N 2.569 121.387 118.700 0.196 0.000 2.738 647 N HA -0.275 4.456 4.740 -0.015 0.000 0.249 647 N C -1.564 174.046 175.510 0.166 0.000 1.047 647 N CA 0.550 53.715 53.050 0.190 0.000 0.707 647 N CB -1.731 36.880 38.487 0.206 0.000 0.937 647 N HN 0.530 nan 8.380 nan 0.000 0.545 648 Y N 1.611 121.928 120.300 0.028 0.000 2.721 648 Y HA 0.173 4.714 4.550 -0.015 0.000 0.329 648 Y C 1.138 177.064 175.900 0.044 0.000 1.211 648 Y CA 0.719 58.823 58.100 0.007 0.000 1.512 648 Y CB 0.311 38.742 38.460 -0.048 0.000 1.249 648 Y HN 0.373 nan 8.280 nan 0.000 0.549 649 R N 2.469 122.624 120.500 -0.576 0.000 2.741 649 R HA 0.408 4.739 4.340 -0.015 0.000 0.274 649 R C -0.562 175.422 176.300 -0.527 0.000 1.029 649 R CA -0.569 55.294 56.100 -0.395 0.000 0.880 649 R CB 0.299 30.545 30.300 -0.090 0.000 1.264 649 R HN 0.365 nan 8.270 nan 0.000 0.465 650 V N 1.120 120.751 119.914 -0.471 0.000 2.282 650 V HA -0.299 3.812 4.120 -0.015 0.000 0.249 650 V C 2.596 178.569 176.094 -0.202 0.000 1.057 650 V CA 2.876 64.958 62.300 -0.363 0.000 1.032 650 V CB -0.844 30.725 31.823 -0.423 0.000 0.645 650 V HN 0.923 nan 8.190 nan 0.000 0.447 651 S N 0.003 115.604 115.700 -0.165 0.000 2.399 651 S HA -0.177 4.284 4.470 -0.015 0.000 0.231 651 S C 1.926 176.485 174.600 -0.069 0.000 1.022 651 S CA 1.657 59.793 58.200 -0.107 0.000 0.983 651 S CB -0.528 62.637 63.200 -0.059 0.000 0.803 651 S HN 0.391 nan 8.310 nan 0.000 0.480 652 L N 1.924 123.113 121.223 -0.056 0.000 2.109 652 L HA 0.316 4.647 4.340 -0.015 0.000 0.207 652 L C 2.691 179.593 176.870 0.053 0.000 1.086 652 L CA 1.364 56.218 54.840 0.023 0.000 0.760 652 L CB -1.257 40.869 42.059 0.112 0.000 0.910 652 L HN 0.360 nan 8.230 nan 0.000 0.437 653 A N -0.706 122.117 122.820 0.005 0.000 1.940 653 A HA -0.240 4.071 4.320 -0.015 0.000 0.219 653 A C 2.131 179.787 177.584 0.119 0.000 1.176 653 A CA 1.847 53.960 52.037 0.127 0.000 0.631 653 A CB -0.607 18.453 19.000 0.099 0.000 0.814 653 A HN 0.592 nan 8.150 nan 0.000 0.446 654 E N -0.442 119.807 120.200 0.082 0.000 2.265 654 E HA -0.157 4.184 4.350 -0.015 0.000 0.196 654 E C 1.863 178.445 176.600 -0.031 0.000 0.996 654 E CA 1.146 57.551 56.400 0.008 0.000 0.832 654 E CB -0.039 29.571 29.700 -0.149 0.000 0.756 654 E HN 0.631 nan 8.360 nan 0.000 0.491 655 K N 0.040 120.413 120.400 -0.044 0.000 2.121 655 K HA 0.028 4.339 4.320 -0.015 0.000 0.203 655 K C 2.181 178.659 176.600 -0.202 0.000 1.041 655 K CA 0.427 56.687 56.287 -0.046 0.000 0.969 655 K CB -0.071 32.408 32.500 -0.034 0.000 0.799 655 K HN -0.051 nan 8.250 nan 0.000 0.456 656 V N 2.095 121.803 119.914 -0.344 0.000 2.453 656 V HA -0.160 3.951 4.120 -0.015 0.000 0.247 656 V C 1.951 177.805 176.094 -0.400 0.000 1.048 656 V CA 1.327 63.177 62.300 -0.750 0.000 1.049 656 V CB -0.193 31.310 31.823 -0.533 0.000 0.672 656 V HN 0.241 nan 8.190 nan 0.000 0.457 657 I N 0.670 121.064 120.570 -0.294 0.000 2.127 657 I HA -0.144 4.017 4.170 -0.015 0.000 0.241 657 I C -0.176 175.824 176.117 -0.194 0.000 1.075 657 I CA 1.748 62.801 61.300 -0.411 0.000 1.334 657 I CB -1.619 36.006 38.000 -0.625 0.000 1.040 657 I HN 0.364 nan 8.210 nan 0.000 0.405 658 P HA -0.136 nan 4.420 nan 0.000 0.221 658 P C 1.031 178.326 177.300 -0.007 0.000 1.145 658 P CA 1.364 64.442 63.100 -0.036 0.000 0.795 658 P CB -0.014 31.676 31.700 -0.018 0.000 0.775 659 A N -1.132 121.663 122.820 -0.041 0.000 2.218 659 A HA 0.424 4.735 4.320 -0.015 0.000 0.209 659 A C 1.221 178.893 177.584 0.147 0.000 1.168 659 A CA 0.224 52.285 52.037 0.039 0.000 0.804 659 A CB -0.740 18.273 19.000 0.022 0.000 0.834 659 A HN 0.213 nan 8.150 nan 0.000 0.482 660 A N -0.105 122.805 122.820 0.149 0.000 2.354 660 A HA 0.476 4.787 4.320 -0.015 0.000 0.269 660 A C 0.347 178.079 177.584 0.247 0.000 1.109 660 A CA -0.200 51.993 52.037 0.260 0.000 0.800 660 A CB 0.364 19.609 19.000 0.409 0.000 1.045 660 A HN 0.264 nan 8.150 nan 0.000 0.489 661 D N 0.467 121.018 120.400 0.252 0.000 2.338 661 D HA 0.114 4.745 4.640 -0.015 0.000 0.224 661 D C 0.056 176.576 176.300 0.367 0.000 0.967 661 D CA 0.778 54.984 54.000 0.342 0.000 0.896 661 D CB 0.288 41.221 40.800 0.222 0.000 1.028 661 D HN 0.364 nan 8.370 nan 0.000 0.493 662 L N 1.099 122.424 121.223 0.169 0.000 2.349 662 L HA 0.288 4.619 4.340 -0.015 0.000 0.278 662 L C -0.837 175.926 176.870 -0.178 0.000 0.996 662 L CA -0.314 54.552 54.840 0.044 0.000 0.825 662 L CB 2.055 44.117 42.059 0.005 0.000 1.243 662 L HN -0.190 nan 8.230 nan 0.000 0.412 663 S N 4.502 120.014 115.700 -0.314 0.000 2.420 663 S HA 0.309 4.770 4.470 -0.015 0.000 0.313 663 S C -0.328 174.015 174.600 -0.428 0.000 1.079 663 S CA -0.687 57.087 58.200 -0.709 0.000 1.104 663 S CB 0.555 63.275 63.200 -0.800 0.000 0.969 663 S HN 0.559 nan 8.310 nan 0.000 0.471 664 E N 4.121 124.083 120.200 -0.397 0.000 2.105 664 E HA 0.177 4.518 4.350 -0.015 0.000 0.285 664 E C -0.452 176.045 176.600 -0.173 0.000 1.055 664 E CA -0.290 55.996 56.400 -0.191 0.000 0.843 664 E CB 0.837 30.451 29.700 -0.143 0.000 1.067 664 E HN 0.612 nan 8.360 nan 0.000 0.398 665 Q N 2.813 122.568 119.800 -0.074 0.000 3.122 665 Q HA 0.262 4.593 4.340 -0.015 0.000 0.282 665 Q C 0.577 176.564 176.000 -0.021 0.000 0.947 665 Q CA -0.114 55.652 55.803 -0.061 0.000 0.812 665 Q CB 0.192 28.904 28.738 -0.045 0.000 1.333 665 Q HN 0.610 nan 8.270 nan 0.000 0.430 666 I N -1.840 118.704 120.570 -0.043 0.000 3.569 666 I HA 0.277 4.438 4.170 -0.015 0.000 0.334 666 I C 0.421 176.488 176.117 -0.083 0.000 1.570 666 I CA -0.694 60.594 61.300 -0.020 0.000 1.082 666 I CB 0.516 38.514 38.000 -0.002 0.000 1.323 666 I HN -0.006 nan 8.210 nan 0.000 0.489 667 S N 0.466 116.116 115.700 -0.084 0.000 2.568 667 S HA 0.170 4.631 4.470 -0.015 0.000 0.282 667 S C 0.579 175.160 174.600 -0.032 0.000 1.338 667 S CA -0.237 57.934 58.200 -0.049 0.000 1.045 667 S CB 0.273 63.493 63.200 0.033 0.000 0.873 667 S HN 0.382 nan 8.310 nan 0.000 0.516 668 T N 2.927 117.494 114.554 0.023 0.000 2.908 668 T HA 0.358 4.699 4.350 -0.015 0.000 0.301 668 T C 0.780 175.490 174.700 0.017 0.000 1.019 668 T CA 0.295 62.416 62.100 0.036 0.000 1.152 668 T CB -0.089 68.872 68.868 0.155 0.000 0.966 668 T HN 1.025 nan 8.240 nan 0.000 0.540 669 A N 2.791 125.590 122.820 -0.035 0.000 2.567 669 A HA 0.451 4.762 4.320 -0.015 0.000 0.240 669 A C 1.643 179.219 177.584 -0.013 0.000 1.053 669 A CA 0.294 52.306 52.037 -0.042 0.000 0.755 669 A CB -0.854 18.108 19.000 -0.063 0.000 0.978 669 A HN 1.724 nan 8.150 nan 0.000 0.507 670 G N 1.311 110.101 108.800 -0.017 0.000 2.176 670 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.232 670 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.232 670 G C 0.851 175.735 174.900 -0.027 0.000 0.986 670 G CA 1.093 46.184 45.100 -0.015 0.000 0.643 670 G HN 1.987 nan 8.290 nan 0.000 0.522 671 T N -2.497 112.037 114.554 -0.034 0.000 3.018 671 T HA 0.416 4.757 4.350 -0.015 0.000 0.246 671 T C 0.725 175.261 174.700 -0.273 0.000 1.026 671 T CA 1.046 63.054 62.100 -0.153 0.000 1.081 671 T CB 0.579 69.401 68.868 -0.076 0.000 0.970 671 T HN 0.269 nan 8.240 nan 0.000 0.475 672 E N 1.545 121.722 120.200 -0.037 0.000 2.052 672 E HA 0.668 5.009 4.350 -0.015 0.000 0.283 672 E C 1.163 177.711 176.600 -0.086 0.000 1.071 672 E CA 0.073 56.495 56.400 0.038 0.000 0.851 672 E CB 0.813 30.591 29.700 0.130 0.000 1.066 672 E HN 0.346 nan 8.360 nan 0.000 0.396 673 A N 3.451 126.146 122.820 -0.208 0.000 1.884 673 A HA -0.236 4.075 4.320 -0.015 0.000 0.219 673 A C 2.002 179.448 177.584 -0.229 0.000 1.197 673 A CA 2.373 54.145 52.037 -0.441 0.000 0.637 673 A CB -0.358 18.175 19.000 -0.779 0.000 0.827 673 A HN 0.611 nan 8.150 nan 0.000 0.450 674 S N -3.758 111.870 115.700 -0.121 0.000 3.624 674 S HA 0.454 4.915 4.470 -0.015 0.000 0.244 674 S C 0.740 175.322 174.600 -0.029 0.000 1.115 674 S CA 1.447 59.622 58.200 -0.042 0.000 0.820 674 S CB -0.102 63.096 63.200 -0.004 0.000 0.964 674 S HN 2.303 nan 8.310 nan 0.000 0.508 675 G N 0.342 109.131 108.800 -0.018 0.000 2.721 675 G HA2 -0.057 3.894 3.960 -0.015 0.000 0.686 675 G HA3 -0.057 3.894 3.960 -0.015 0.000 0.686 675 G C 0.250 175.129 174.900 -0.036 0.000 1.236 675 G CA 0.436 45.524 45.100 -0.020 0.000 0.786 675 G HN 1.307 nan 8.290 nan 0.000 0.616 676 T N -1.719 112.803 114.554 -0.053 0.000 3.010 676 T HA 0.379 4.720 4.350 -0.015 0.000 0.253 676 T C 2.418 177.023 174.700 -0.159 0.000 0.939 676 T CA 1.281 63.322 62.100 -0.098 0.000 0.910 676 T CB 0.203 69.008 68.868 -0.106 0.000 1.226 676 T HN 1.909 nan 8.240 nan 0.000 0.508 677 G N 3.264 111.996 108.800 -0.112 0.000 2.469 677 G HA2 -0.317 3.634 3.960 -0.015 0.000 0.219 677 G HA3 -0.317 3.634 3.960 -0.015 0.000 0.219 677 G C 1.469 176.425 174.900 0.093 0.000 1.150 677 G CA 1.318 46.379 45.100 -0.065 0.000 0.763 677 G HN 0.842 nan 8.290 nan 0.000 0.561 678 N N -0.001 118.734 118.700 0.058 0.000 2.060 678 N HA -0.139 4.592 4.740 -0.015 0.000 0.195 678 N C 1.455 176.978 175.510 0.022 0.000 1.028 678 N CA 0.816 53.899 53.050 0.055 0.000 0.861 678 N CB -0.381 38.090 38.487 -0.027 0.000 1.029 678 N HN 0.353 nan 8.380 nan 0.000 0.428 682 M N 0.278 119.963 119.600 0.142 0.000 2.117 682 M HA -0.143 4.328 4.480 -0.015 0.000 0.262 682 M C 1.959 178.310 176.300 0.085 0.000 1.065 682 M CA 1.787 57.140 55.300 0.087 0.000 1.114 682 M CB -0.046 32.604 32.600 0.083 0.000 1.361 682 M HN 0.311 nan 8.290 nan 0.000 0.408 683 L N 0.624 121.895 121.223 0.081 0.000 2.291 683 L HA -0.059 4.272 4.340 -0.015 0.000 0.214 683 L C 1.296 178.208 176.870 0.070 0.000 1.120 683 L CA 1.583 56.476 54.840 0.088 0.000 0.799 683 L CB -0.577 41.544 42.059 0.103 0.000 0.925 683 L HN 0.341 nan 8.230 nan 0.000 0.446 684 N N -0.394 118.338 118.700 0.054 0.000 2.214 684 N HA 0.184 4.915 4.740 -0.015 0.000 0.214 684 N C 0.794 176.338 175.510 0.056 0.000 1.132 684 N CA 0.782 53.858 53.050 0.043 0.000 0.856 684 N CB 0.690 39.180 38.487 0.005 0.000 1.020 684 N HN 0.373 nan 8.380 nan 0.000 0.509 685 G N 0.645 109.483 108.800 0.064 0.000 2.140 685 G HA2 -0.176 3.775 3.960 -0.015 0.000 0.211 685 G HA3 -0.176 3.775 3.960 -0.015 0.000 0.211 685 G C -0.064 174.898 174.900 0.104 0.000 1.013 685 G CA 0.084 45.220 45.100 0.060 0.000 0.705 685 G HN 0.498 nan 8.290 nan 0.000 0.508 686 A N -0.248 122.644 122.820 0.120 0.000 2.325 686 A HA 0.887 5.198 4.320 -0.015 0.000 0.333 686 A C 0.394 177.974 177.584 -0.006 0.000 1.155 686 A CA -0.620 51.505 52.037 0.146 0.000 0.814 686 A CB 1.014 20.165 19.000 0.251 0.000 1.206 686 A HN 0.732 nan 8.150 nan 0.000 0.482 687 L N 0.821 121.999 121.223 -0.076 0.000 2.421 687 L HA 0.450 4.781 4.340 -0.015 0.000 0.263 687 L C 0.200 176.949 176.870 -0.202 0.000 1.122 687 L CA -0.340 54.355 54.840 -0.241 0.000 0.804 687 L CB 1.480 43.320 42.059 -0.366 0.000 1.150 687 L HN 0.673 nan 8.230 nan 0.000 0.457 688 T N 2.792 117.100 114.554 -0.409 0.000 2.770 688 T HA 0.441 4.782 4.350 -0.015 0.000 0.283 688 T C -0.360 174.249 174.700 -0.151 0.000 0.988 688 T CA -0.245 61.617 62.100 -0.397 0.000 0.957 688 T CB 1.287 69.734 68.868 -0.700 0.000 0.930 688 T HN 0.341 nan 8.240 nan 0.000 0.443 689 I N 3.196 123.768 120.570 0.003 0.000 2.321 689 I HA 0.703 4.864 4.170 -0.015 0.000 0.291 689 I C 0.184 176.460 176.117 0.265 0.000 0.998 689 I CA 0.163 61.573 61.300 0.183 0.000 1.227 689 I CB 0.318 38.364 38.000 0.077 0.000 1.368 689 I HN 0.774 nan 8.210 nan 0.000 0.466 690 G N 4.005 113.037 108.800 0.386 0.000 2.601 690 G HA2 0.433 4.384 3.960 -0.015 0.000 0.291 690 G HA3 0.433 4.384 3.960 -0.015 0.000 0.291 690 G C -0.912 173.908 174.900 -0.133 0.000 1.456 690 G CA -0.425 44.793 45.100 0.197 0.000 0.804 690 G HN 0.598 nan 8.290 nan 0.000 0.499 691 T N -1.213 113.129 114.554 -0.354 0.000 2.874 691 T HA 0.504 4.845 4.350 -0.015 0.000 0.281 691 T C 0.794 175.370 174.700 -0.206 0.000 0.994 691 T CA -0.691 61.127 62.100 -0.470 0.000 1.015 691 T CB 1.097 69.710 68.868 -0.426 0.000 1.028 691 T HN 0.273 nan 8.240 nan 0.000 0.523 692 M N 2.872 122.363 119.600 -0.181 0.000 3.442 692 M HA 0.307 4.778 4.480 -0.015 0.000 0.232 692 M C -0.432 175.812 176.300 -0.094 0.000 1.508 692 M CA 0.030 55.261 55.300 -0.115 0.000 1.647 692 M CB -1.807 30.735 32.600 -0.097 0.000 1.126 692 M HN 0.732 nan 8.290 nan 0.000 0.557 693 D N -0.034 120.316 120.400 -0.083 0.000 2.671 693 D HA 0.664 5.295 4.640 -0.015 0.000 0.232 693 D C 0.712 176.985 176.300 -0.044 0.000 1.114 693 D CA 0.739 54.704 54.000 -0.057 0.000 0.858 693 D CB 1.722 42.490 40.800 -0.054 0.000 1.544 693 D HN 0.595 nan 8.370 nan 0.000 0.471 694 G N 1.896 110.679 108.800 -0.028 0.000 2.634 694 G HA2 -0.263 3.688 3.960 -0.015 0.000 0.309 694 G HA3 -0.263 3.688 3.960 -0.015 0.000 0.309 694 G C 1.037 175.923 174.900 -0.023 0.000 1.265 694 G CA 1.210 46.297 45.100 -0.021 0.000 0.998 694 G HN 1.085 nan 8.290 nan 0.000 0.551 695 A N -0.351 122.448 122.820 -0.036 0.000 2.167 695 A HA 0.134 4.445 4.320 -0.015 0.000 0.214 695 A C 2.101 179.608 177.584 -0.129 0.000 1.151 695 A CA 1.732 53.736 52.037 -0.054 0.000 0.735 695 A CB -0.418 18.535 19.000 -0.078 0.000 0.802 695 A HN 0.626 nan 8.150 nan 0.000 0.467 696 N N 0.658 119.295 118.700 -0.105 0.000 2.091 696 N HA -0.169 4.562 4.740 -0.015 0.000 0.193 696 N C 1.581 176.963 175.510 -0.213 0.000 1.021 696 N CA 1.670 54.655 53.050 -0.109 0.000 0.862 696 N CB -0.658 37.812 38.487 -0.029 0.000 1.018 696 N HN 0.287 nan 8.380 nan 0.000 0.429 697 V N 1.209 121.038 119.914 -0.141 0.000 2.343 697 V HA -0.210 3.901 4.120 -0.015 0.000 0.247 697 V C 1.964 177.978 176.094 -0.132 0.000 1.051 697 V CA 1.701 63.919 62.300 -0.138 0.000 1.036 697 V CB -0.472 31.305 31.823 -0.077 0.000 0.654 697 V HN 0.364 nan 8.190 nan 0.000 0.451 698 E N -0.635 119.537 120.200 -0.047 0.000 2.158 698 E HA -0.113 4.228 4.350 -0.015 0.000 0.191 698 E C 2.215 178.905 176.600 0.151 0.000 0.982 698 E CA 0.964 57.414 56.400 0.084 0.000 0.823 698 E CB -0.174 29.667 29.700 0.236 0.000 0.766 698 E HN 0.540 nan 8.360 nan 0.000 0.468 699 M N 0.618 120.172 119.600 -0.077 0.000 2.086 699 M HA -0.154 4.317 4.480 -0.015 0.000 0.261 699 M C 2.538 178.537 176.300 -0.501 0.000 1.067 699 M CA 1.612 56.784 55.300 -0.213 0.000 1.116 699 M CB -0.262 32.136 32.600 -0.337 0.000 1.348 699 M HN 0.142 nan 8.290 nan 0.000 0.407 700 A N -0.054 122.161 122.820 -1.009 0.000 1.940 700 A HA -0.234 4.077 4.320 -0.015 0.000 0.219 700 A C 1.985 179.344 177.584 -0.374 0.000 1.176 700 A CA 2.075 53.499 52.037 -1.021 0.000 0.631 700 A CB -0.849 17.649 19.000 -0.836 0.000 0.814 700 A HN 0.601 nan 8.150 nan 0.000 0.446 701 E N -0.448 119.615 120.200 -0.229 0.000 2.077 701 E HA -0.213 4.128 4.350 -0.015 0.000 0.193 701 E C 1.827 178.393 176.600 -0.056 0.000 0.989 701 E CA 1.261 57.597 56.400 -0.107 0.000 0.800 701 E CB -0.074 29.586 29.700 -0.067 0.000 0.746 701 E HN 0.557 nan 8.360 nan 0.000 0.452 702 E N 0.135 120.328 120.200 -0.011 0.000 2.047 702 E HA -0.144 4.197 4.350 -0.015 0.000 0.191 702 E C 1.899 178.518 176.600 0.033 0.000 0.987 702 E CA 1.180 57.599 56.400 0.031 0.000 0.799 702 E CB -0.218 29.555 29.700 0.121 0.000 0.752 702 E HN 0.375 nan 8.360 nan 0.000 0.449 703 A N 0.368 123.212 122.820 0.039 0.000 2.021 703 A HA 0.313 4.624 4.320 -0.015 0.000 0.216 703 A C 1.077 178.680 177.584 0.031 0.000 1.163 703 A CA 1.149 53.230 52.037 0.074 0.000 0.676 703 A CB -0.033 19.084 19.000 0.196 0.000 0.818 703 A HN 0.265 nan 8.150 nan 0.000 0.453 704 G N -0.527 108.263 108.800 -0.016 0.000 3.209 704 G HA2 -0.087 3.864 3.960 -0.015 0.000 0.686 704 G HA3 -0.087 3.864 3.960 -0.015 0.000 0.686 704 G C -0.031 174.853 174.900 -0.027 0.000 1.065 704 G CA 0.003 45.087 45.100 -0.027 0.000 0.812 704 G HN 0.246 nan 8.290 nan 0.000 0.573 705 E N 1.020 121.190 120.200 -0.049 0.000 2.209 705 E HA -0.184 4.157 4.350 -0.015 0.000 0.196 705 E C 2.017 178.605 176.600 -0.021 0.000 0.993 705 E CA 1.773 58.151 56.400 -0.037 0.000 0.819 705 E CB 0.094 29.769 29.700 -0.041 0.000 0.745 705 E HN 0.790 nan 8.360 nan 0.000 0.477 706 E N 0.715 120.891 120.200 -0.040 0.000 2.268 706 E HA -0.084 4.257 4.350 -0.015 0.000 0.195 706 E C 1.014 177.527 176.600 -0.146 0.000 0.995 706 E CA 0.612 56.968 56.400 -0.074 0.000 0.836 706 E CB -0.038 29.631 29.700 -0.051 0.000 0.763 706 E HN 0.149 nan 8.360 nan 0.000 0.491 707 N N -0.310 118.332 118.700 -0.097 0.000 2.251 707 N HA 0.141 4.872 4.740 -0.015 0.000 0.217 707 N C -0.954 174.454 175.510 -0.170 0.000 1.124 707 N CA 0.112 53.072 53.050 -0.150 0.000 0.843 707 N CB 0.353 38.811 38.487 -0.048 0.000 1.024 707 N HN 0.054 nan 8.380 nan 0.000 0.501 708 F N -0.359 119.348 119.950 -0.404 0.000 2.576 708 F HA 0.401 4.918 4.527 -0.016 0.000 0.313 708 F C -0.732 174.806 175.800 -0.437 0.000 1.078 708 F CA -1.105 56.686 58.000 -0.348 0.000 0.921 708 F CB 1.311 40.218 39.000 -0.155 0.000 1.232 708 F HN -0.215 nan 8.300 nan 0.000 0.459 709 F N 5.015 124.974 119.950 0.016 0.000 2.359 709 F HA 0.432 4.950 4.527 -0.015 0.000 0.355 709 F C -0.079 175.852 175.800 0.218 0.000 1.132 709 F CA -0.442 57.604 58.000 0.078 0.000 1.246 709 F CB -0.084 38.910 39.000 -0.009 0.000 1.569 709 F HN 0.072 nan 8.300 nan 0.000 0.561 710 I N 3.776 124.548 120.570 0.338 0.000 2.396 710 I HA 0.385 4.546 4.170 -0.015 0.000 0.292 710 I C -0.222 176.086 176.117 0.319 0.000 0.999 710 I CA -0.546 60.916 61.300 0.270 0.000 1.310 710 I CB 0.838 38.920 38.000 0.137 0.000 1.404 710 I HN 0.363 nan 8.210 nan 0.000 0.496 711 F N 3.513 123.528 119.950 0.108 0.000 2.685 711 F HA 0.926 5.444 4.527 -0.015 0.000 0.315 711 F C -0.021 175.819 175.800 0.065 0.000 1.126 711 F CA -0.587 57.467 58.000 0.089 0.000 0.950 711 F CB 0.915 39.980 39.000 0.109 0.000 1.360 711 F HN 0.777 nan 8.300 nan 0.000 0.469 712 G N 0.924 109.793 108.800 0.115 0.000 2.728 712 G HA2 -0.067 3.884 3.960 -0.015 0.000 0.294 712 G HA3 -0.067 3.884 3.960 -0.015 0.000 0.294 712 G C -0.932 173.944 174.900 -0.040 0.000 1.342 712 G CA -0.635 44.471 45.100 0.010 0.000 0.866 712 G HN 0.952 nan 8.290 nan 0.000 0.534 713 M N 0.921 120.506 119.600 -0.025 0.000 2.248 713 M HA 0.215 4.686 4.480 -0.015 0.000 0.345 713 M C 1.186 177.451 176.300 -0.057 0.000 1.243 713 M CA 0.011 55.301 55.300 -0.016 0.000 1.090 713 M CB 0.305 32.905 32.600 -0.001 0.000 1.683 713 M HN 0.511 nan 8.290 nan 0.000 0.450 714 R N 1.835 122.314 120.500 -0.035 0.000 2.546 714 R HA 0.231 4.562 4.340 -0.015 0.000 0.266 714 R C 1.226 177.507 176.300 -0.032 0.000 1.086 714 R CA -0.536 55.539 56.100 -0.043 0.000 1.160 714 R CB -0.072 30.210 30.300 -0.030 0.000 1.138 714 R HN 0.585 nan 8.270 nan 0.000 0.567 715 V N 1.574 121.468 119.914 -0.034 0.000 2.317 715 V HA -0.303 3.808 4.120 -0.015 0.000 0.251 715 V C 1.898 177.981 176.094 -0.018 0.000 1.065 715 V CA 2.180 64.464 62.300 -0.027 0.000 1.049 715 V CB -0.498 31.307 31.823 -0.031 0.000 0.651 715 V HN 0.651 nan 8.190 nan 0.000 0.450 716 E N 0.025 120.216 120.200 -0.015 0.000 2.110 716 E HA -0.184 4.157 4.350 -0.015 0.000 0.193 716 E C 1.972 178.575 176.600 0.006 0.000 0.988 716 E CA 1.378 57.775 56.400 -0.006 0.000 0.804 716 E CB -0.326 29.371 29.700 -0.005 0.000 0.745 716 E HN 0.637 nan 8.360 nan 0.000 0.458 717 D N -0.146 120.260 120.400 0.010 0.000 2.144 717 D HA -0.098 4.533 4.640 -0.015 0.000 0.200 717 D C 1.985 178.303 176.300 0.030 0.000 0.978 717 D CA 0.785 54.802 54.000 0.027 0.000 0.833 717 D CB -0.075 40.745 40.800 0.033 0.000 0.961 717 D HN 0.063 nan 8.370 nan 0.000 0.470 718 V N 1.864 121.784 119.914 0.009 0.000 2.295 718 V HA -0.213 3.898 4.120 -0.015 0.000 0.246 718 V C 2.001 178.098 176.094 0.004 0.000 1.049 718 V CA 1.674 63.972 62.300 -0.003 0.000 1.024 718 V CB -0.393 31.418 31.823 -0.020 0.000 0.648 718 V HN 0.034 nan 8.190 nan 0.000 0.447 719 D N -0.121 120.280 120.400 0.003 0.000 2.104 719 D HA -0.173 4.458 4.640 -0.015 0.000 0.194 719 D C 2.404 178.715 176.300 0.020 0.000 0.994 719 D CA 1.354 55.357 54.000 0.005 0.000 0.830 719 D CB -0.272 40.527 40.800 -0.002 0.000 0.959 719 D HN 0.321 nan 8.370 nan 0.000 0.452 720 R N 0.070 120.586 120.500 0.028 0.000 2.091 720 R HA -0.046 4.285 4.340 -0.015 0.000 0.238 720 R C 2.512 178.848 176.300 0.060 0.000 1.136 720 R CA 0.565 56.689 56.100 0.040 0.000 0.959 720 R CB -0.354 29.971 30.300 0.042 0.000 0.856 720 R HN 0.201 nan 8.270 nan 0.000 0.437 721 L N 0.514 121.782 121.223 0.076 0.000 2.093 721 L HA -0.210 4.122 4.340 -0.015 0.000 0.208 721 L C 1.463 178.400 176.870 0.111 0.000 1.085 721 L CA 1.352 56.264 54.840 0.120 0.000 0.755 721 L CB -0.278 41.870 42.059 0.149 0.000 0.904 721 L HN 0.246 nan 8.230 nan 0.000 0.435 722 D N -0.522 119.918 120.400 0.067 0.000 2.144 722 D HA -0.207 4.425 4.640 -0.015 0.000 0.199 722 D C 2.212 178.543 176.300 0.051 0.000 0.984 722 D CA 1.106 55.137 54.000 0.053 0.000 0.834 722 D CB -0.018 40.792 40.800 0.017 0.000 0.955 722 D HN 0.437 nan 8.370 nan 0.000 0.465 723 Q N -0.006 119.820 119.800 0.044 0.000 2.119 723 Q HA -0.089 4.242 4.340 -0.015 0.000 0.201 723 Q C 2.241 178.267 176.000 0.044 0.000 0.972 723 Q CA 0.865 56.690 55.803 0.037 0.000 0.847 723 Q CB 0.061 28.817 28.738 0.029 0.000 0.903 723 Q HN 0.135 nan 8.270 nan 0.000 0.433 724 R N -0.196 120.338 120.500 0.057 0.000 2.090 724 R HA 0.005 4.336 4.340 -0.015 0.000 0.228 724 R C -0.121 176.219 176.300 0.067 0.000 1.110 724 R CA 1.009 57.144 56.100 0.059 0.000 0.973 724 R CB 0.225 30.567 30.300 0.070 0.000 0.869 724 R HN 0.256 nan 8.270 nan 0.000 0.440 725 G N -0.187 108.668 108.800 0.092 0.000 3.444 725 G HA2 -0.245 3.707 3.960 -0.015 0.000 0.685 725 G HA3 -0.245 3.707 3.960 -0.015 0.000 0.685 725 G C -1.410 173.583 174.900 0.155 0.000 1.145 725 G CA -0.347 44.816 45.100 0.104 0.000 0.973 725 G HN 0.282 nan 8.290 nan 0.000 0.525 726 Y N 3.725 124.060 120.300 0.059 0.000 2.480 726 Y HA 0.484 5.025 4.550 -0.015 0.000 0.341 726 Y C 0.609 176.568 175.900 0.099 0.000 1.031 726 Y CA -0.489 57.665 58.100 0.090 0.000 1.295 726 Y CB 0.736 39.231 38.460 0.059 0.000 1.162 726 Y HN 0.569 nan 8.280 nan 0.000 0.523 727 N N 5.268 123.757 118.700 -0.351 0.000 2.621 727 N HA 0.318 5.050 4.740 -0.015 0.000 0.237 727 N C 0.335 175.593 175.510 -0.419 0.000 0.997 727 N CA 0.226 53.081 53.050 -0.324 0.000 0.918 727 N CB 1.135 39.551 38.487 -0.119 0.000 1.122 727 N HN 0.886 nan 8.380 nan 0.000 0.510 728 A N 3.020 125.504 122.820 -0.560 0.000 1.933 728 A HA -0.228 4.083 4.320 -0.015 0.000 0.218 728 A C 2.010 179.705 177.584 0.184 0.000 1.175 728 A CA 1.357 53.265 52.037 -0.215 0.000 0.628 728 A CB -0.411 18.391 19.000 -0.331 0.000 0.814 728 A HN 0.770 nan 8.150 nan 0.000 0.444 729 Q N 0.236 120.054 119.800 0.031 0.000 2.135 729 Q HA -0.233 4.098 4.340 -0.015 0.000 0.204 729 Q C 1.878 177.958 176.000 0.134 0.000 0.981 729 Q CA 2.241 58.091 55.803 0.078 0.000 0.856 729 Q CB -0.365 28.372 28.738 -0.001 0.000 0.902 729 Q HN 0.781 nan 8.270 nan 0.000 0.425 730 E N -1.278 118.938 120.200 0.026 0.000 2.070 730 E HA -0.262 4.079 4.350 -0.015 0.000 0.197 730 E C 1.526 178.066 176.600 -0.101 0.000 1.004 730 E CA 1.629 57.971 56.400 -0.096 0.000 0.805 730 E CB -0.272 29.265 29.700 -0.271 0.000 0.744 730 E HN 0.615 nan 8.360 nan 0.000 0.451 731 Y N -1.090 119.281 120.300 0.118 0.000 2.200 731 Y HA -0.197 4.344 4.550 -0.015 0.000 0.290 731 Y C 2.254 178.168 175.900 0.023 0.000 1.137 731 Y CA 1.506 59.667 58.100 0.102 0.000 1.163 731 Y CB -0.721 37.853 38.460 0.191 0.000 0.988 731 Y HN 0.225 nan 8.280 nan 0.000 0.518 732 Y N 1.415 121.770 120.300 0.090 0.000 2.165 732 Y HA -0.302 4.239 4.550 -0.015 0.000 0.286 732 Y C 1.876 177.757 175.900 -0.032 0.000 1.155 732 Y CA 1.938 60.017 58.100 -0.036 0.000 1.164 732 Y CB -0.422 38.071 38.460 0.056 0.000 0.978 732 Y HN 0.090 nan 8.280 nan 0.000 0.513 733 D N -0.358 120.147 120.400 0.175 0.000 2.178 733 D HA -0.119 4.512 4.640 -0.015 0.000 0.202 733 D C 1.874 178.156 176.300 -0.030 0.000 0.974 733 D CA 1.351 55.393 54.000 0.069 0.000 0.841 733 D CB -0.121 40.732 40.800 0.088 0.000 0.953 733 D HN 0.485 nan 8.370 nan 0.000 0.478 734 R N -0.294 120.188 120.500 -0.030 0.000 2.334 734 R HA 0.283 4.614 4.340 -0.015 0.000 0.212 734 R C 0.331 176.613 176.300 -0.030 0.000 0.897 734 R CA 0.071 56.151 56.100 -0.033 0.000 1.056 734 R CB 1.146 31.425 30.300 -0.036 0.000 1.046 734 R HN 0.156 nan 8.270 nan 0.000 0.513 735 I N 2.226 122.761 120.570 -0.059 0.000 2.437 735 I HA 0.230 4.391 4.170 -0.015 0.000 0.279 735 I C -1.974 174.053 176.117 -0.150 0.000 1.028 735 I CA -2.343 58.923 61.300 -0.057 0.000 1.142 735 I CB 2.186 40.183 38.000 -0.005 0.000 1.266 735 I HN -0.289 nan 8.210 nan 0.000 0.461 736 P HA -0.125 nan 4.420 nan 0.000 0.218 736 P C 1.157 178.364 177.300 -0.155 0.000 1.149 736 P CA 1.256 64.265 63.100 -0.151 0.000 0.817 736 P CB 0.334 31.978 31.700 -0.095 0.000 0.785 737 E N -0.893 119.249 120.200 -0.096 0.000 2.106 737 E HA -0.148 4.193 4.350 -0.015 0.000 0.192 737 E C 1.839 178.337 176.600 -0.170 0.000 0.984 737 E CA 0.651 57.008 56.400 -0.072 0.000 0.806 737 E CB -0.578 29.149 29.700 0.044 0.000 0.750 737 E HN 0.115 nan 8.360 nan 0.000 0.458 738 L N 1.346 122.383 121.223 -0.310 0.000 2.056 738 L HA -0.140 4.191 4.340 -0.015 0.000 0.207 738 L C 2.371 178.972 176.870 -0.447 0.000 1.078 738 L CA 1.650 56.144 54.840 -0.578 0.000 0.749 738 L CB -0.335 41.244 42.059 -0.799 0.000 0.901 738 L HN -0.080 nan 8.230 nan 0.000 0.433 739 R N -0.859 119.357 120.500 -0.473 0.000 2.091 739 R HA -0.246 4.085 4.340 -0.015 0.000 0.238 739 R C 2.394 178.519 176.300 -0.293 0.000 1.136 739 R CA 2.013 57.743 56.100 -0.616 0.000 0.959 739 R CB -0.367 29.495 30.300 -0.731 0.000 0.856 739 R HN 0.607 nan 8.270 nan 0.000 0.437 740 Q N 0.412 120.081 119.800 -0.218 0.000 2.096 740 Q HA -0.187 4.144 4.340 -0.015 0.000 0.204 740 Q C 2.086 178.031 176.000 -0.091 0.000 0.982 740 Q CA 1.963 57.684 55.803 -0.137 0.000 0.850 740 Q CB -0.097 28.564 28.738 -0.129 0.000 0.901 740 Q HN 0.482 nan 8.270 nan 0.000 0.422 741 I N 0.572 121.085 120.570 -0.095 0.000 2.226 741 I HA -0.279 3.882 4.170 -0.015 0.000 0.245 741 I C 2.118 178.255 176.117 0.034 0.000 1.100 741 I CA 0.590 61.873 61.300 -0.028 0.000 1.374 741 I CB -0.282 37.673 38.000 -0.075 0.000 1.057 741 I HN 0.291 nan 8.210 nan 0.000 0.413 742 I N 0.868 121.460 120.570 0.036 0.000 2.226 742 I HA -0.237 3.924 4.170 -0.015 0.000 0.245 742 I C 2.442 178.661 176.117 0.170 0.000 1.100 742 I CA 1.662 63.054 61.300 0.152 0.000 1.374 742 I CB -1.287 36.898 38.000 0.308 0.000 1.057 742 I HN 0.335 nan 8.210 nan 0.000 0.413 743 E N 0.356 120.639 120.200 0.138 0.000 2.110 743 E HA -0.236 4.105 4.350 -0.015 0.000 0.193 743 E C 2.191 178.856 176.600 0.110 0.000 0.988 743 E CA 0.959 57.431 56.400 0.121 0.000 0.804 743 E CB -0.116 29.627 29.700 0.071 0.000 0.745 743 E HN 0.565 nan 8.360 nan 0.000 0.458 744 Q N 0.446 120.295 119.800 0.081 0.000 2.050 744 Q HA -0.150 4.181 4.340 -0.015 0.000 0.202 744 Q C 2.363 178.547 176.000 0.306 0.000 0.980 744 Q CA 1.067 56.938 55.803 0.113 0.000 0.840 744 Q CB -0.078 28.662 28.738 0.003 0.000 0.898 744 Q HN 0.304 nan 8.270 nan 0.000 0.424 745 L N -0.109 121.297 121.223 0.306 0.000 2.017 745 L HA -0.212 4.119 4.340 -0.015 0.000 0.208 745 L C 2.482 179.534 176.870 0.302 0.000 1.073 745 L CA 1.033 56.066 54.840 0.321 0.000 0.745 745 L CB -0.405 41.755 42.059 0.168 0.000 0.894 745 L HN 0.147 nan 8.230 nan 0.000 0.432 746 S N -0.376 115.458 115.700 0.223 0.000 2.368 746 S HA -0.147 4.314 4.470 -0.015 0.000 0.224 746 S C 2.088 176.792 174.600 0.173 0.000 1.029 746 S CA 1.524 59.835 58.200 0.186 0.000 0.988 746 S CB -0.180 63.110 63.200 0.150 0.000 0.838 746 S HN 0.611 nan 8.310 nan 0.000 0.462 747 S N 0.311 116.115 115.700 0.173 0.000 2.522 747 S HA 0.303 4.764 4.470 -0.015 0.000 0.227 747 S C 1.393 176.085 174.600 0.154 0.000 0.986 747 S CA 0.728 59.016 58.200 0.146 0.000 0.929 747 S CB -0.044 63.235 63.200 0.131 0.000 0.769 747 S HN 0.806 nan 8.310 nan 0.000 0.529 748 G N 0.579 109.504 108.800 0.207 0.000 2.130 748 G HA2 -0.269 3.683 3.960 -0.015 0.000 0.216 748 G HA3 -0.269 3.683 3.960 -0.015 0.000 0.216 748 G C 0.135 175.132 174.900 0.160 0.000 0.999 748 G CA 0.093 45.305 45.100 0.186 0.000 0.686 748 G HN 0.505 nan 8.290 nan 0.000 0.515 749 F N 0.127 120.089 119.950 0.019 0.000 2.171 749 F HA 0.214 4.732 4.527 -0.015 0.000 0.300 749 F C 1.878 177.485 175.800 -0.322 0.000 1.090 749 F CA 1.862 59.748 58.000 -0.191 0.000 1.293 749 F CB -0.014 38.789 39.000 -0.328 0.000 1.013 749 F HN 0.182 nan 8.300 nan 0.000 0.486 750 F N -0.408 119.674 119.950 0.220 0.000 2.727 750 F HA 0.201 4.719 4.527 -0.015 0.000 0.302 750 F C 0.625 176.533 175.800 0.181 0.000 1.097 750 F CA 0.222 58.309 58.000 0.145 0.000 1.330 750 F CB -0.064 39.026 39.000 0.151 0.000 1.084 750 F HN -0.039 nan 8.300 nan 0.000 0.578 751 S N -1.845 114.002 115.700 0.246 0.000 2.564 751 S HA 0.308 4.769 4.470 -0.015 0.000 0.141 751 S C -2.508 172.114 174.600 0.036 0.000 1.474 751 S CA -0.968 57.305 58.200 0.121 0.000 1.236 751 S CB 0.825 64.061 63.200 0.060 0.000 1.481 751 S HN -0.176 nan 8.310 nan 0.000 0.397 752 P HA -0.034 nan 4.420 nan 0.000 0.218 752 P C 1.163 178.453 177.300 -0.017 0.000 1.149 752 P CA 1.079 64.157 63.100 -0.037 0.000 0.817 752 P CB 0.126 31.776 31.700 -0.084 0.000 0.785 753 K N -0.828 119.563 120.400 -0.016 0.000 2.228 753 K HA -0.005 4.306 4.320 -0.015 0.000 0.202 753 K C 0.690 177.287 176.600 -0.005 0.000 1.051 753 K CA 0.862 57.143 56.287 -0.010 0.000 0.960 753 K CB 0.025 32.520 32.500 -0.009 0.000 0.743 753 K HN 0.322 nan 8.250 nan 0.000 0.458 754 Q N 0.565 120.360 119.800 -0.007 0.000 2.907 754 Q HA 0.156 4.487 4.340 -0.015 0.000 0.262 754 Q C -2.245 173.749 176.000 -0.010 0.000 0.997 754 Q CA -1.657 54.138 55.803 -0.014 0.000 0.797 754 Q CB 1.293 30.014 28.738 -0.029 0.000 1.228 754 Q HN -0.028 nan 8.270 nan 0.000 0.466 755 P HA -0.226 nan 4.420 nan 0.000 0.218 755 P C 0.470 177.808 177.300 0.063 0.000 1.146 755 P CA 1.498 64.628 63.100 0.050 0.000 0.813 755 P CB 0.258 31.987 31.700 0.048 0.000 0.778 756 D N -1.033 119.387 120.400 0.033 0.000 2.342 756 D HA -0.017 4.614 4.640 -0.015 0.000 0.221 756 D C 1.715 178.016 176.300 0.001 0.000 1.101 756 D CA -0.335 53.691 54.000 0.043 0.000 0.837 756 D CB -0.648 40.177 40.800 0.042 0.000 0.938 756 D HN 0.004 nan 8.370 nan 0.000 0.508 757 L N 0.019 121.179 121.223 -0.107 0.000 2.043 757 L HA -0.096 4.235 4.340 -0.015 0.000 0.212 757 L C 1.186 177.845 176.870 -0.352 0.000 1.075 757 L CA 1.694 56.349 54.840 -0.309 0.000 0.752 757 L CB -0.606 41.085 42.059 -0.612 0.000 0.891 757 L HN -0.014 nan 8.230 nan 0.000 0.432 758 F N -0.756 119.247 119.950 0.089 0.000 2.668 758 F HA 0.132 4.650 4.527 -0.015 0.000 0.297 758 F C 1.838 177.685 175.800 0.078 0.000 1.124 758 F CA -0.113 57.928 58.000 0.068 0.000 1.353 758 F CB -0.309 38.719 39.000 0.046 0.000 0.992 758 F HN 0.101 nan 8.300 nan 0.000 0.524 759 K N -0.326 120.188 120.400 0.191 0.000 2.103 759 K HA -0.197 4.115 4.320 -0.015 0.000 0.207 759 K C 1.008 177.706 176.600 0.165 0.000 1.048 759 K CA 2.075 58.458 56.287 0.160 0.000 0.930 759 K CB -0.277 32.294 32.500 0.119 0.000 0.716 759 K HN 0.051 nan 8.250 nan 0.000 0.444 760 D N 1.176 121.686 120.400 0.183 0.000 2.117 760 D HA -0.089 4.542 4.640 -0.015 0.000 0.197 760 D C 2.028 178.423 176.300 0.158 0.000 0.987 760 D CA 1.158 55.279 54.000 0.202 0.000 0.829 760 D CB -0.135 40.828 40.800 0.272 0.000 0.961 760 D HN 0.303 nan 8.370 nan 0.000 0.460 761 I N 0.388 121.049 120.570 0.150 0.000 2.179 761 I HA -0.224 3.938 4.170 -0.015 0.000 0.242 761 I C 2.398 178.537 176.117 0.037 0.000 1.088 761 I CA 0.638 61.986 61.300 0.078 0.000 1.357 761 I CB -0.221 37.828 38.000 0.081 0.000 1.051 761 I HN -0.106 nan 8.210 nan 0.000 0.409 762 V N 1.231 121.196 119.914 0.085 0.000 2.287 762 V HA -0.307 3.804 4.120 -0.015 0.000 0.248 762 V C 2.253 178.348 176.094 0.002 0.000 1.053 762 V CA 2.396 64.734 62.300 0.062 0.000 1.027 762 V CB -1.004 30.885 31.823 0.109 0.000 0.646 762 V HN 0.489 nan 8.190 nan 0.000 0.447 763 N N -0.061 118.677 118.700 0.063 0.000 2.120 763 N HA -0.214 4.517 4.740 -0.015 0.000 0.188 763 N C 1.843 177.340 175.510 -0.022 0.000 1.024 763 N CA 1.899 55.022 53.050 0.121 0.000 0.852 763 N CB -0.302 38.319 38.487 0.223 0.000 1.003 763 N HN 0.346 nan 8.380 nan 0.000 0.424 764 M N -0.240 119.244 119.600 -0.192 0.000 2.086 764 M HA -0.092 4.379 4.480 -0.015 0.000 0.261 764 M C 1.436 177.454 176.300 -0.469 0.000 1.067 764 M CA 1.256 56.132 55.300 -0.707 0.000 1.116 764 M CB -0.687 31.619 32.600 -0.489 0.000 1.348 764 M HN 0.204 nan 8.290 nan 0.000 0.407 765 L N 0.758 121.787 121.223 -0.322 0.000 2.042 765 L HA -0.210 4.121 4.340 -0.015 0.000 0.210 765 L C 2.447 178.963 176.870 -0.590 0.000 1.076 765 L CA 1.674 56.245 54.840 -0.449 0.000 0.749 765 L CB -1.086 40.766 42.059 -0.345 0.000 0.893 765 L HN 0.362 nan 8.230 nan 0.000 0.432 766 M N -2.166 117.158 119.600 -0.459 0.000 2.388 766 M HA -0.039 4.432 4.480 -0.015 0.000 0.265 766 M C 1.671 177.574 176.300 -0.662 0.000 1.088 766 M CA 1.269 56.217 55.300 -0.588 0.000 1.134 766 M CB -0.599 31.574 32.600 -0.712 0.000 1.384 766 M HN 0.343 nan 8.290 nan 0.000 0.447 767 H N -2.197 116.821 119.070 -0.086 0.000 3.266 767 H HA 0.183 4.730 4.556 -0.015 0.000 0.246 767 H C 0.202 175.587 175.328 0.095 0.000 0.998 767 H CA 0.607 56.662 56.048 0.012 0.000 1.152 767 H CB 0.210 30.017 29.762 0.076 0.000 1.466 767 H HN 0.574 nan 8.280 nan 0.000 0.481 768 H N -1.131 117.991 119.070 0.085 0.000 2.716 768 H HA 0.308 4.856 4.556 -0.015 0.000 0.230 768 H C -1.115 174.231 175.328 0.030 0.000 1.401 768 H CA -0.592 55.495 56.048 0.063 0.000 1.168 768 H CB 0.127 29.928 29.762 0.064 0.000 1.935 768 H HN -0.139 nan 8.280 nan 0.000 0.538 769 D N 1.445 121.825 120.400 -0.033 0.000 2.411 769 D HA 0.128 4.759 4.640 -0.015 0.000 0.225 769 D C 0.863 177.085 176.300 -0.129 0.000 1.156 769 D CA -0.456 53.499 54.000 -0.076 0.000 0.874 769 D CB 0.720 41.462 40.800 -0.096 0.000 1.034 769 D HN 0.490 nan 8.370 nan 0.000 0.502 770 R N 2.225 122.570 120.500 -0.258 0.000 2.237 770 R HA -0.052 4.279 4.340 -0.015 0.000 0.219 770 R C 0.578 176.382 176.300 -0.827 0.000 1.080 770 R CA 0.921 56.661 56.100 -0.600 0.000 0.995 770 R CB 0.099 29.855 30.300 -0.907 0.000 0.875 770 R HN 0.408 nan 8.270 nan 0.000 0.462 771 F N 0.120 120.016 119.950 -0.090 0.000 2.661 771 F HA 0.277 4.795 4.527 -0.015 0.000 0.306 771 F C 0.023 175.697 175.800 -0.210 0.000 1.094 771 F CA -0.673 57.267 58.000 -0.100 0.000 1.254 771 F CB 0.294 39.300 39.000 0.009 0.000 1.040 771 F HN -0.255 nan 8.300 nan 0.000 0.562 772 K N -0.306 119.901 120.400 -0.322 0.000 3.244 772 K HA -0.170 4.141 4.320 -0.015 0.000 0.270 772 K C 0.944 177.427 176.600 -0.194 0.000 1.016 772 K CA 0.193 56.116 56.287 -0.605 0.000 0.754 772 K CB -1.870 30.224 32.500 -0.677 0.000 1.326 772 K HN 0.204 nan 8.250 nan 0.000 0.465 773 V N -0.037 119.841 119.914 -0.060 0.000 2.287 773 V HA -0.289 3.822 4.120 -0.015 0.000 0.248 773 V C 1.950 178.193 176.094 0.248 0.000 1.053 773 V CA 2.340 64.690 62.300 0.083 0.000 1.027 773 V CB -0.491 31.385 31.823 0.087 0.000 0.646 773 V HN 0.491 nan 8.190 nan 0.000 0.447 774 F N 0.218 120.161 119.950 -0.011 0.000 2.171 774 F HA -0.176 4.342 4.527 -0.015 0.000 0.300 774 F C 2.536 178.120 175.800 -0.360 0.000 1.090 774 F CA 0.659 58.598 58.000 -0.103 0.000 1.293 774 F CB -0.393 38.563 39.000 -0.073 0.000 1.013 774 F HN 0.188 nan 8.300 nan 0.000 0.486 775 A N -0.505 122.150 122.820 -0.275 0.000 2.019 775 A HA -0.206 4.105 4.320 -0.015 0.000 0.219 775 A C 1.492 179.064 177.584 -0.021 0.000 1.164 775 A CA 1.954 53.752 52.037 -0.399 0.000 0.644 775 A CB -0.477 18.449 19.000 -0.124 0.000 0.805 775 A HN 0.240 nan 8.150 nan 0.000 0.449 776 D N -2.873 117.574 120.400 0.079 0.000 2.369 776 D HA 0.084 4.715 4.640 -0.015 0.000 0.211 776 D C 1.186 177.638 176.300 0.252 0.000 1.077 776 D CA 0.002 54.121 54.000 0.199 0.000 0.842 776 D CB -0.105 40.826 40.800 0.218 0.000 0.947 776 D HN 0.595 nan 8.370 nan 0.000 0.509 777 Y N 2.036 122.401 120.300 0.108 0.000 2.128 777 Y HA -0.199 4.342 4.550 -0.014 0.000 0.284 777 Y C 2.043 178.014 175.900 0.118 0.000 1.154 777 Y CA 1.825 59.997 58.100 0.120 0.000 1.149 777 Y CB 0.210 38.701 38.460 0.052 0.000 0.976 777 Y HN -0.104 nan 8.280 nan 0.000 0.505 778 E N 0.061 120.323 120.200 0.103 0.000 2.031 778 E HA -0.237 4.104 4.350 -0.015 0.000 0.193 778 E C 2.152 178.716 176.600 -0.060 0.000 0.994 778 E CA 1.585 57.978 56.400 -0.011 0.000 0.800 778 E CB -0.197 29.590 29.700 0.146 0.000 0.752 778 E HN 0.637 nan 8.360 nan 0.000 0.447 779 E N -0.114 120.124 120.200 0.063 0.000 2.110 779 E HA -0.211 4.130 4.350 -0.015 0.000 0.193 779 E C 1.938 178.512 176.600 -0.044 0.000 0.988 779 E CA 0.830 57.286 56.400 0.093 0.000 0.804 779 E CB -0.156 29.695 29.700 0.252 0.000 0.745 779 E HN 0.260 nan 8.360 nan 0.000 0.458 780 Y N 1.333 121.420 120.300 -0.354 0.000 2.114 780 Y HA -0.237 4.304 4.550 -0.015 0.000 0.284 780 Y C 2.198 177.688 175.900 -0.683 0.000 1.143 780 Y CA 1.051 58.622 58.100 -0.883 0.000 1.135 780 Y CB -0.585 37.426 38.460 -0.749 0.000 0.980 780 Y HN -0.209 nan 8.280 nan 0.000 0.499 781 V N 0.565 120.103 119.914 -0.626 0.000 2.332 781 V HA -0.341 3.770 4.120 -0.015 0.000 0.248 781 V C 2.294 178.147 176.094 -0.401 0.000 1.055 781 V CA 2.450 64.404 62.300 -0.576 0.000 1.038 781 V CB -0.617 30.885 31.823 -0.536 0.000 0.651 781 V HN 0.310 nan 8.190 nan 0.000 0.450 782 K N -0.939 119.291 120.400 -0.284 0.000 2.057 782 K HA -0.184 4.127 4.320 -0.015 0.000 0.206 782 K C 2.279 178.776 176.600 -0.172 0.000 1.050 782 K CA 1.671 57.857 56.287 -0.168 0.000 0.935 782 K CB -0.627 31.824 32.500 -0.082 0.000 0.715 782 K HN 0.536 nan 8.250 nan 0.000 0.439 783 C N 1.276 120.446 119.300 -0.216 0.000 2.425 783 C HA -0.092 4.359 4.460 -0.015 0.000 0.277 783 C C 2.551 177.344 174.990 -0.328 0.000 1.280 783 C CA 0.785 59.699 59.018 -0.172 0.000 1.744 783 C CB -0.639 27.032 27.740 -0.115 0.000 1.989 783 C HN 0.433 nan 8.230 nan 0.000 0.491 784 Q N 0.462 119.935 119.800 -0.546 0.000 2.170 784 Q HA -0.165 4.166 4.340 -0.015 0.000 0.203 784 Q C 2.009 177.801 176.000 -0.345 0.000 0.976 784 Q CA 1.608 57.050 55.803 -0.602 0.000 0.858 784 Q CB -0.375 27.759 28.738 -1.007 0.000 0.907 784 Q HN 0.762 nan 8.270 nan 0.000 0.433 785 E N 0.192 120.247 120.200 -0.243 0.000 2.072 785 E HA -0.136 4.205 4.350 -0.015 0.000 0.191 785 E C 2.082 178.624 176.600 -0.098 0.000 0.985 785 E CA 0.572 56.892 56.400 -0.134 0.000 0.801 785 E CB -0.013 29.630 29.700 -0.095 0.000 0.750 785 E HN 0.264 nan 8.360 nan 0.000 0.452 786 R N 0.479 120.922 120.500 -0.095 0.000 2.096 786 R HA -0.098 4.233 4.340 -0.015 0.000 0.235 786 R C 2.423 178.674 176.300 -0.083 0.000 1.127 786 R CA 0.965 57.062 56.100 -0.004 0.000 0.968 786 R CB -0.389 29.979 30.300 0.113 0.000 0.861 786 R HN 0.075 nan 8.270 nan 0.000 0.440 787 V N 0.629 120.296 119.914 -0.413 0.000 2.261 787 V HA -0.249 3.862 4.120 -0.015 0.000 0.246 787 V C 2.255 178.304 176.094 -0.074 0.000 1.047 787 V CA 1.983 63.943 62.300 -0.567 0.000 1.015 787 V CB -0.443 30.965 31.823 -0.693 0.000 0.642 787 V HN 0.282 nan 8.190 nan 0.000 0.446 788 S N -0.061 115.576 115.700 -0.105 0.000 2.370 788 S HA -0.206 4.255 4.470 -0.015 0.000 0.226 788 S C 2.204 176.848 174.600 0.073 0.000 1.033 788 S CA 1.469 59.649 58.200 -0.034 0.000 1.011 788 S CB -0.517 62.641 63.200 -0.071 0.000 0.852 788 S HN 0.658 nan 8.310 nan 0.000 0.457 789 A N 1.306 124.170 122.820 0.073 0.000 1.883 789 A HA -0.033 4.278 4.320 -0.015 0.000 0.217 789 A C 2.107 179.795 177.584 0.173 0.000 1.186 789 A CA 1.175 53.279 52.037 0.112 0.000 0.624 789 A CB -0.737 18.319 19.000 0.094 0.000 0.822 789 A HN 0.469 nan 8.150 nan 0.000 0.444 790 L N -2.074 119.307 121.223 0.262 0.000 2.093 790 L HA -0.150 4.181 4.340 -0.015 0.000 0.208 790 L C 2.466 179.600 176.870 0.440 0.000 1.085 790 L CA 1.790 56.864 54.840 0.389 0.000 0.755 790 L CB -0.421 41.978 42.059 0.567 0.000 0.904 790 L HN 0.609 nan 8.230 nan 0.000 0.435 791 Y N 0.919 121.336 120.300 0.196 0.000 2.352 791 Y HA -0.256 4.286 4.550 -0.013 0.000 0.292 791 Y C 2.425 178.252 175.900 -0.122 0.000 1.136 791 Y CA 1.541 59.501 58.100 -0.233 0.000 1.227 791 Y CB -0.020 38.080 38.460 -0.600 0.000 0.991 791 Y HN 0.054 nan 8.280 nan 0.000 0.545 792 K N -0.037 120.411 120.400 0.081 0.000 2.360 792 K HA -0.152 4.159 4.320 -0.015 0.000 0.201 792 K C 0.315 176.903 176.600 -0.019 0.000 1.046 792 K CA 0.833 57.148 56.287 0.046 0.000 0.945 792 K CB -0.105 32.456 32.500 0.103 0.000 0.750 792 K HN 0.057 nan 8.250 nan 0.000 0.464 793 N N 0.206 118.908 118.700 0.003 0.000 2.898 793 N HA 0.138 4.869 4.740 -0.015 0.000 0.245 793 N C -2.448 173.065 175.510 0.004 0.000 1.185 793 N CA -2.147 50.910 53.050 0.011 0.000 0.879 793 N CB 1.239 39.764 38.487 0.064 0.000 1.157 793 N HN -0.192 nan 8.380 nan 0.000 0.503 794 P HA -0.162 nan 4.420 nan 0.000 0.216 794 P C 1.377 178.687 177.300 0.017 0.000 1.150 794 P CA 1.090 64.119 63.100 -0.118 0.000 0.843 794 P CB 0.436 32.041 31.700 -0.157 0.000 0.787 795 R N 0.022 120.534 120.500 0.018 0.000 2.075 795 R HA -0.130 4.202 4.340 -0.015 0.000 0.232 795 R C 1.929 178.269 176.300 0.068 0.000 1.126 795 R CA 1.331 57.452 56.100 0.036 0.000 0.963 795 R CB -0.310 30.003 30.300 0.021 0.000 0.858 795 R HN 0.077 nan 8.270 nan 0.000 0.435 796 E N -0.121 120.130 120.200 0.085 0.000 2.216 796 E HA -0.197 4.144 4.350 -0.015 0.000 0.192 796 E C 1.576 178.254 176.600 0.129 0.000 0.988 796 E CA 0.462 56.917 56.400 0.091 0.000 0.834 796 E CB -0.348 29.403 29.700 0.086 0.000 0.772 796 E HN 0.500 nan 8.360 nan 0.000 0.479 797 W N 2.240 123.539 121.300 -0.002 0.000 2.333 797 W HA -0.210 4.440 4.660 -0.016 0.000 0.316 797 W C 1.632 178.156 176.519 0.007 0.000 1.215 797 W CA 2.192 59.548 57.345 0.019 0.000 1.278 797 W CB -0.428 29.009 29.460 -0.040 0.000 1.154 797 W HN 0.031 nan 8.180 nan 0.000 0.486 798 T N 1.110 115.789 114.554 0.208 0.000 2.788 798 T HA -0.167 4.174 4.350 -0.015 0.000 0.268 798 T C 1.828 176.533 174.700 0.008 0.000 1.044 798 T CA 1.647 63.803 62.100 0.093 0.000 1.139 798 T CB -0.312 68.601 68.868 0.075 0.000 0.867 798 T HN 0.182 nan 8.240 nan 0.000 0.454 799 R N 0.372 120.884 120.500 0.020 0.000 2.092 799 R HA 0.126 4.457 4.340 -0.015 0.000 0.231 799 R C 2.492 178.778 176.300 -0.023 0.000 1.119 799 R CA 1.077 57.188 56.100 0.018 0.000 0.970 799 R CB -0.306 30.012 30.300 0.031 0.000 0.864 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.450 119.999 119.600 -0.085 0.000 2.175 800 M HA -0.135 4.336 4.480 -0.015 0.000 0.264 800 M C 1.939 178.134 176.300 -0.175 0.000 1.063 800 M CA 1.342 56.551 55.300 -0.152 0.000 1.119 800 M CB 0.173 32.626 32.600 -0.244 0.000 1.377 800 M HN -0.018 nan 8.290 nan 0.000 0.415 801 V N 1.065 120.850 119.914 -0.215 0.000 2.252 801 V HA -0.338 3.773 4.120 -0.015 0.000 0.249 801 V C 2.211 178.277 176.094 -0.047 0.000 1.056 801 V CA 2.219 64.427 62.300 -0.153 0.000 1.022 801 V CB -0.671 31.085 31.823 -0.112 0.000 0.641 801 V HN 0.505 nan 8.190 nan 0.000 0.445 802 I N -0.676 119.892 120.570 -0.004 0.000 2.208 802 I HA -0.279 3.882 4.170 -0.015 0.000 0.245 802 I C 2.703 178.864 176.117 0.073 0.000 1.097 802 I CA 1.683 63.031 61.300 0.080 0.000 1.363 802 I CB -0.423 37.678 38.000 0.168 0.000 1.051 802 I HN 0.188 nan 8.210 nan 0.000 0.413 803 R N 0.353 120.874 120.500 0.035 0.000 2.148 803 R HA -0.105 4.227 4.340 -0.015 0.000 0.227 803 R C 2.029 178.355 176.300 0.043 0.000 1.103 803 R CA 1.079 57.198 56.100 0.033 0.000 0.983 803 R CB -0.363 29.942 30.300 0.008 0.000 0.874 803 R HN 0.542 nan 8.270 nan 0.000 0.451 804 N N 0.552 119.269 118.700 0.027 0.000 2.109 804 N HA -0.090 4.641 4.740 -0.015 0.000 0.188 804 N C 1.943 177.505 175.510 0.087 0.000 1.034 804 N CA 1.106 54.194 53.050 0.064 0.000 0.846 804 N CB -0.038 38.453 38.487 0.006 0.000 1.010 804 N HN 0.116 nan 8.380 nan 0.000 0.425 805 I N 1.691 122.299 120.570 0.065 0.000 2.208 805 I HA -0.250 3.911 4.170 -0.015 0.000 0.245 805 I C 2.471 178.632 176.117 0.073 0.000 1.097 805 I CA 0.978 62.322 61.300 0.073 0.000 1.363 805 I CB -0.359 37.678 38.000 0.062 0.000 1.051 805 I HN 0.095 nan 8.210 nan 0.000 0.413 806 A N 0.300 123.161 122.820 0.069 0.000 2.070 806 A HA -0.173 4.138 4.320 -0.015 0.000 0.220 806 A C 2.095 179.710 177.584 0.052 0.000 1.159 806 A CA 2.105 54.173 52.037 0.051 0.000 0.656 806 A CB -0.877 18.157 19.000 0.056 0.000 0.800 806 A HN 0.553 nan 8.150 nan 0.000 0.453 807 T N -3.145 111.455 114.554 0.078 0.000 3.174 807 T HA 0.186 4.527 4.350 -0.015 0.000 0.269 807 T C 1.128 175.913 174.700 0.143 0.000 1.017 807 T CA 0.644 62.794 62.100 0.084 0.000 0.899 807 T CB -0.204 68.713 68.868 0.082 0.000 1.077 807 T HN 0.489 nan 8.240 nan 0.000 0.552 808 S N 0.095 115.896 115.700 0.169 0.000 2.593 808 S HA 0.251 4.712 4.470 -0.015 0.000 0.217 808 S C 2.160 176.882 174.600 0.202 0.000 0.966 808 S CA 0.255 58.628 58.200 0.288 0.000 0.914 808 S CB -0.606 62.737 63.200 0.238 0.000 0.776 808 S HN 0.526 nan 8.310 nan 0.000 0.523 809 G N 2.513 111.354 108.800 0.068 0.000 2.442 809 G HA2 -0.248 3.703 3.960 -0.015 0.000 0.219 809 G HA3 -0.248 3.703 3.960 -0.015 0.000 0.219 809 G C 1.328 176.172 174.900 -0.092 0.000 1.141 809 G CA 0.902 46.010 45.100 0.013 0.000 0.763 809 G HN 0.590 nan 8.290 nan 0.000 0.554 810 K N -0.176 120.046 120.400 -0.297 0.000 2.211 810 K HA -0.056 4.255 4.320 -0.015 0.000 0.204 810 K C 1.170 177.450 176.600 -0.533 0.000 1.047 810 K CA 0.827 56.791 56.287 -0.538 0.000 0.935 810 K CB -0.256 31.705 32.500 -0.898 0.000 0.728 810 K HN 0.433 nan 8.250 nan 0.000 0.452 811 F N 0.653 120.633 119.950 0.049 0.000 2.645 811 F HA 0.142 4.660 4.527 -0.015 0.000 0.300 811 F C 0.728 176.573 175.800 0.076 0.000 1.115 811 F CA -0.661 57.375 58.000 0.060 0.000 1.355 811 F CB 0.529 39.561 39.000 0.053 0.000 1.026 811 F HN -0.135 nan 8.300 nan 0.000 0.536 812 S N 0.366 116.154 115.700 0.147 0.000 2.528 812 S HA 0.071 4.532 4.470 -0.015 0.000 0.277 812 S C 1.448 176.132 174.600 0.139 0.000 1.297 812 S CA -0.196 58.084 58.200 0.134 0.000 1.052 812 S CB 0.825 64.073 63.200 0.080 0.000 0.917 812 S HN 0.359 nan 8.310 nan 0.000 0.492 813 S N 3.411 119.219 115.700 0.181 0.000 2.474 813 S HA -0.095 4.366 4.470 -0.015 0.000 0.235 813 S C 1.000 175.651 174.600 0.086 0.000 0.997 813 S CA 0.811 59.136 58.200 0.209 0.000 0.949 813 S CB -0.398 63.009 63.200 0.345 0.000 0.766 813 S HN 0.796 nan 8.310 nan 0.000 0.517 814 D N 1.981 122.418 120.400 0.062 0.000 2.123 814 D HA -0.113 4.518 4.640 -0.015 0.000 0.196 814 D C 2.098 178.403 176.300 0.007 0.000 0.992 814 D CA 0.935 54.949 54.000 0.023 0.000 0.833 814 D CB -0.350 40.462 40.800 0.019 0.000 0.954 814 D HN 0.304 nan 8.370 nan 0.000 0.455 815 R N 0.761 121.269 120.500 0.012 0.000 2.066 815 R HA -0.089 4.242 4.340 -0.015 0.000 0.232 815 R C 1.946 178.241 176.300 -0.010 0.000 1.131 815 R CA 1.475 57.569 56.100 -0.010 0.000 0.955 815 R CB -0.844 29.437 30.300 -0.032 0.000 0.851 815 R HN 0.132 nan 8.270 nan 0.000 0.432 816 T N 2.255 116.827 114.554 0.030 0.000 2.665 816 T HA -0.138 4.203 4.350 -0.015 0.000 0.268 816 T C 1.927 176.637 174.700 0.018 0.000 1.035 816 T CA 1.470 63.609 62.100 0.064 0.000 1.151 816 T CB -0.134 68.851 68.868 0.196 0.000 0.862 816 T HN 0.118 nan 8.240 nan 0.000 0.438 817 I N 1.535 122.038 120.570 -0.111 0.000 2.315 817 I HA -0.072 4.089 4.170 -0.015 0.000 0.248 817 I C 2.915 178.997 176.117 -0.059 0.000 1.117 817 I CA 0.931 62.130 61.300 -0.168 0.000 1.404 817 I CB -1.567 36.318 38.000 -0.191 0.000 1.071 817 I HN 0.199 nan 8.210 nan 0.000 0.419 818 A N 0.220 123.019 122.820 -0.035 0.000 1.933 818 A HA -0.236 4.075 4.320 -0.015 0.000 0.218 818 A C 2.244 179.788 177.584 -0.067 0.000 1.175 818 A CA 1.421 53.443 52.037 -0.026 0.000 0.628 818 A CB -0.526 18.464 19.000 -0.017 0.000 0.814 818 A HN 0.506 nan 8.150 nan 0.000 0.444 819 Q N -1.819 117.923 119.800 -0.097 0.000 2.079 819 Q HA -0.162 4.169 4.340 -0.015 0.000 0.200 819 Q C 1.934 177.760 176.000 -0.289 0.000 0.974 819 Q CA 1.633 57.336 55.803 -0.166 0.000 0.840 819 Q CB -0.322 28.311 28.738 -0.175 0.000 0.898 819 Q HN 0.815 nan 8.270 nan 0.000 0.430 820 Y N 0.653 120.667 120.300 -0.477 0.000 2.128 820 Y HA -0.305 4.236 4.550 -0.015 0.000 0.284 820 Y C 2.502 177.822 175.900 -0.967 0.000 1.154 820 Y CA 1.331 58.883 58.100 -0.914 0.000 1.149 820 Y CB -0.494 37.109 38.460 -1.428 0.000 0.976 820 Y HN 0.164 nan 8.280 nan 0.000 0.505 821 A N 0.238 122.829 122.820 -0.381 0.000 1.883 821 A HA -0.239 4.072 4.320 -0.015 0.000 0.217 821 A C 2.238 179.834 177.584 0.018 0.000 1.186 821 A CA 2.144 54.212 52.037 0.051 0.000 0.624 821 A CB -0.583 18.523 19.000 0.176 0.000 0.822 821 A HN 0.442 nan 8.150 nan 0.000 0.444 822 R N -0.807 119.663 120.500 -0.050 0.000 2.075 822 R HA -0.015 4.316 4.340 -0.015 0.000 0.226 822 R C 1.853 178.124 176.300 -0.048 0.000 1.114 822 R CA 1.449 57.532 56.100 -0.028 0.000 0.972 822 R CB -0.166 30.114 30.300 -0.033 0.000 0.869 822 R HN 0.653 nan 8.270 nan 0.000 0.437 823 E N -0.512 119.619 120.200 -0.116 0.000 2.415 823 E HA 0.089 4.430 4.350 -0.015 0.000 0.197 823 E C 1.379 177.922 176.600 -0.096 0.000 1.007 823 E CA 0.435 56.771 56.400 -0.107 0.000 0.890 823 E CB 0.550 30.162 29.700 -0.147 0.000 0.891 823 E HN 0.295 nan 8.360 nan 0.000 0.496 824 I N -1.146 119.329 120.570 -0.158 0.000 3.739 824 I HA 0.019 4.181 4.170 -0.015 0.000 0.272 824 I C 1.302 177.532 176.117 0.189 0.000 1.167 824 I CA -0.073 61.185 61.300 -0.070 0.000 1.386 824 I CB 0.254 38.068 38.000 -0.311 0.000 1.490 824 I HN 0.110 nan 8.210 nan 0.000 0.452 825 W N 1.497 122.885 121.300 0.147 0.000 2.658 825 W HA 0.333 4.984 4.660 -0.015 0.000 0.263 825 W C 1.448 177.997 176.519 0.049 0.000 1.274 825 W CA 0.797 58.209 57.345 0.113 0.000 1.343 825 W CB -1.079 28.437 29.460 0.093 0.000 1.106 825 W HN 0.319 nan 8.180 nan 0.000 0.615 826 G N 1.262 110.191 108.800 0.216 0.000 2.256 826 G HA2 -0.100 3.852 3.960 -0.015 0.000 0.272 826 G HA3 -0.100 3.852 3.960 -0.015 0.000 0.272 826 G C -0.343 174.620 174.900 0.105 0.000 1.076 826 G CA 0.234 45.403 45.100 0.114 0.000 0.882 826 G HN 0.417 nan 8.290 nan 0.000 0.497 827 V N -4.249 115.748 119.914 0.138 0.000 3.007 827 V HA 0.909 5.020 4.120 -0.015 0.000 0.311 827 V C -0.350 175.799 176.094 0.093 0.000 1.120 827 V CA -1.685 60.679 62.300 0.107 0.000 0.980 827 V CB 2.333 34.227 31.823 0.119 0.000 1.033 827 V HN 0.148 nan 8.190 nan 0.000 0.429 828 E N 2.891 123.131 120.200 0.065 0.000 2.197 828 E HA 0.537 4.878 4.350 -0.015 0.000 0.281 828 E C -2.562 174.073 176.600 0.059 0.000 0.995 828 E CA -1.742 54.690 56.400 0.054 0.000 0.808 828 E CB 1.706 31.430 29.700 0.040 0.000 1.093 828 E HN 0.688 nan 8.360 nan 0.000 0.394 829 P HA 0.082 nan 4.420 nan 0.000 0.269 829 P C -0.658 176.670 177.300 0.047 0.000 1.215 829 P CA -0.183 62.950 63.100 0.053 0.000 0.780 829 P CB 0.687 32.413 31.700 0.043 0.000 0.898 830 S N 1.138 116.868 115.700 0.049 0.000 2.614 830 S HA 0.331 4.792 4.470 -0.015 0.000 0.288 830 S C 0.429 175.053 174.600 0.039 0.000 1.137 830 S CA -0.693 57.535 58.200 0.046 0.000 0.992 830 S CB 0.679 63.915 63.200 0.059 0.000 1.026 830 S HN 0.219 nan 8.310 nan 0.000 0.486 831 R N 2.404 122.923 120.500 0.032 0.000 2.334 831 R HA 0.190 4.521 4.340 -0.015 0.000 0.216 831 R C -0.036 176.276 176.300 0.019 0.000 0.905 831 R CA 0.113 56.230 56.100 0.028 0.000 1.064 831 R CB 0.128 30.445 30.300 0.027 0.000 1.046 831 R HN 0.687 nan 8.270 nan 0.000 0.508 832 Q N 0.853 120.663 119.800 0.017 0.000 2.352 832 Q HA 0.140 4.471 4.340 -0.015 0.000 0.260 832 Q C -0.261 175.732 176.000 -0.011 0.000 0.976 832 Q CA -0.044 55.763 55.803 0.006 0.000 0.881 832 Q CB 0.889 29.634 28.738 0.012 0.000 1.235 832 Q HN -0.220 nan 8.270 nan 0.000 0.419 833 R N 1.264 121.750 120.500 -0.025 0.000 2.643 833 R HA 0.201 4.532 4.340 -0.015 0.000 0.270 833 R C -0.445 175.816 176.300 -0.066 0.000 1.061 833 R CA 0.093 56.166 56.100 -0.046 0.000 1.107 833 R CB 0.324 30.596 30.300 -0.046 0.000 0.999 833 R HN 0.493 nan 8.270 nan 0.000 0.460 834 L N 4.835 126.000 121.223 -0.097 0.000 2.421 834 L HA 0.418 4.749 4.340 -0.015 0.000 0.263 834 L C -1.701 175.113 176.870 -0.092 0.000 1.122 834 L CA -2.128 52.628 54.840 -0.140 0.000 0.804 834 L CB 1.042 42.976 42.059 -0.208 0.000 1.150 834 L HN 0.475 nan 8.230 nan 0.000 0.457 835 P HA 0.048 nan 4.420 nan 0.000 0.266 835 P C -0.643 176.631 177.300 -0.043 0.000 1.195 835 P CA -0.211 62.859 63.100 -0.049 0.000 0.768 835 P CB 0.725 32.403 31.700 -0.037 0.000 0.838 836 A N 0.000 122.802 122.820 -0.030 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486