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 1p4g_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP 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 EASGTGNMKF 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 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 13 I N -0.552 120.008 120.570 -0.017 0.000 2.525 13 I HA 0.774 4.940 4.170 -0.008 0.000 0.301 13 I C 1.401 177.518 176.117 0.001 0.000 0.992 13 I CA -0.010 61.288 61.300 -0.004 0.000 1.162 13 I CB 2.308 40.311 38.000 0.004 0.000 1.332 13 I HN 0.926 nan 8.210 nan 0.000 0.458 14 S N 4.000 119.706 115.700 0.009 0.000 2.365 14 S HA -0.203 4.262 4.470 -0.008 0.000 0.225 14 S C 1.770 176.381 174.600 0.017 0.000 1.039 14 S CA 1.526 59.734 58.200 0.012 0.000 1.033 14 S CB -1.219 61.993 63.200 0.020 0.000 0.887 14 S HN 0.938 nan 8.310 nan 0.000 0.447 15 V N -0.243 119.689 119.914 0.031 0.000 3.026 15 V HA 0.092 4.207 4.120 -0.008 0.000 0.265 15 V C 2.040 178.150 176.094 0.027 0.000 1.121 15 V CA 1.482 63.804 62.300 0.037 0.000 1.142 15 V CB -1.183 30.671 31.823 0.052 0.000 0.730 15 V HN 0.436 nan 8.190 nan 0.000 0.503 16 R N 1.229 121.736 120.500 0.011 0.000 2.335 16 R HA 0.436 4.772 4.340 -0.008 0.000 0.223 16 R C 1.122 177.413 176.300 -0.014 0.000 0.940 16 R CA 0.535 56.635 56.100 -0.000 0.000 1.086 16 R CB -0.048 30.249 30.300 -0.006 0.000 1.073 16 R HN 0.780 nan 8.270 nan 0.000 0.504 17 G N 0.726 109.516 108.800 -0.016 0.000 2.796 17 G HA2 -0.226 3.729 3.960 -0.008 0.000 0.571 17 G HA3 -0.226 3.729 3.960 -0.008 0.000 0.571 17 G C -0.892 173.991 174.900 -0.028 0.000 1.370 17 G CA -1.062 44.020 45.100 -0.030 0.000 0.856 17 G HN -0.012 nan 8.290 nan 0.000 0.538 18 L N 0.371 121.574 121.223 -0.032 0.000 2.375 18 L HA 0.678 5.014 4.340 -0.008 0.000 0.271 18 L C 1.300 178.154 176.870 -0.028 0.000 1.107 18 L CA 0.303 55.127 54.840 -0.027 0.000 0.806 18 L CB 1.096 43.140 42.059 -0.025 0.000 1.146 18 L HN 1.529 nan 8.230 nan 0.000 0.447 19 A N 2.325 125.132 122.820 -0.022 0.000 3.249 19 A HA 0.555 4.870 4.320 -0.008 0.000 0.297 19 A C 0.809 178.386 177.584 -0.012 0.000 1.302 19 A CA -0.299 51.727 52.037 -0.019 0.000 1.074 19 A CB -0.621 18.367 19.000 -0.021 0.000 1.132 19 A HN 0.795 nan 8.150 nan 0.000 0.575 20 G N -0.363 108.430 108.800 -0.012 0.000 2.562 20 G HA2 0.291 4.247 3.960 -0.008 0.000 0.233 20 G HA3 0.291 4.247 3.960 -0.008 0.000 0.233 20 G C 1.032 175.933 174.900 0.002 0.000 1.266 20 G CA 0.116 45.213 45.100 -0.005 0.000 0.852 20 G HN 0.410 nan 8.290 nan 0.000 0.581 21 V N 1.821 121.738 119.914 0.005 0.000 2.237 21 V HA -0.163 3.952 4.120 -0.008 0.000 0.245 21 V C 2.706 178.809 176.094 0.014 0.000 1.046 21 V CA 2.404 64.710 62.300 0.009 0.000 1.007 21 V CB -0.780 31.048 31.823 0.008 0.000 0.638 21 V HN 0.762 nan 8.190 nan 0.000 0.445 22 E N 0.441 120.650 120.200 0.015 0.000 2.085 22 E HA -0.201 4.144 4.350 -0.008 0.000 0.194 22 E C 2.062 178.681 176.600 0.031 0.000 0.994 22 E CA 1.670 58.083 56.400 0.022 0.000 0.801 22 E CB -0.334 29.378 29.700 0.020 0.000 0.743 22 E HN 0.627 nan 8.360 nan 0.000 0.453 23 N N -1.090 117.626 118.700 0.027 0.000 2.270 23 N HA -0.090 4.645 4.740 -0.008 0.000 0.181 23 N C 1.467 177.002 175.510 0.041 0.000 1.016 23 N CA 0.672 53.744 53.050 0.037 0.000 0.870 23 N CB 0.195 38.690 38.487 0.013 0.000 0.979 23 N HN -0.038 nan 8.380 nan 0.000 0.431 24 V N 0.036 119.965 119.914 0.026 0.000 2.427 24 V HA -0.194 3.921 4.120 -0.008 0.000 0.248 24 V C 1.953 178.069 176.094 0.036 0.000 1.051 24 V CA 1.718 64.034 62.300 0.027 0.000 1.048 24 V CB -0.767 31.067 31.823 0.018 0.000 0.666 24 V HN 0.396 nan 8.190 nan 0.000 0.456 25 T N -0.465 114.110 114.554 0.035 0.000 2.777 25 T HA -0.209 4.136 4.350 -0.008 0.000 0.266 25 T C 1.915 176.648 174.700 0.056 0.000 1.040 25 T CA 1.745 63.868 62.100 0.037 0.000 1.141 25 T CB -0.171 68.715 68.868 0.030 0.000 0.868 25 T HN 0.485 nan 8.240 nan 0.000 0.444 26 E N 0.791 121.031 120.200 0.067 0.000 2.077 26 E HA -0.078 4.268 4.350 -0.008 0.000 0.193 26 E C 1.926 178.603 176.600 0.128 0.000 0.989 26 E CA 0.752 57.206 56.400 0.090 0.000 0.800 26 E CB -0.503 29.257 29.700 0.101 0.000 0.746 26 E HN 0.167 nan 8.360 nan 0.000 0.452 27 L N 0.887 122.194 121.223 0.140 0.000 2.042 27 L HA -0.139 4.197 4.340 -0.008 0.000 0.210 27 L C 2.113 179.093 176.870 0.184 0.000 1.076 27 L CA 1.812 56.762 54.840 0.184 0.000 0.749 27 L CB -0.688 41.451 42.059 0.133 0.000 0.893 27 L HN 0.092 nan 8.230 nan 0.000 0.432 28 K N -0.244 120.223 120.400 0.113 0.000 2.026 28 K HA -0.198 4.117 4.320 -0.008 0.000 0.208 28 K C 1.985 178.686 176.600 0.168 0.000 1.048 28 K CA 1.737 58.083 56.287 0.097 0.000 0.929 28 K CB -0.115 32.401 32.500 0.027 0.000 0.713 28 K HN 0.425 nan 8.250 nan 0.000 0.439 29 K N 0.284 120.762 120.400 0.129 0.000 2.097 29 K HA -0.044 4.272 4.320 -0.008 0.000 0.205 29 K C 1.636 178.321 176.600 0.141 0.000 1.050 29 K CA 1.246 57.605 56.287 0.119 0.000 0.938 29 K CB -0.153 32.392 32.500 0.074 0.000 0.718 29 K HN 0.029 nan 8.250 nan 0.000 0.442 30 N N 0.607 119.401 118.700 0.157 0.000 2.270 30 N HA -0.108 4.627 4.740 -0.008 0.000 0.181 30 N C 1.597 177.253 175.510 0.244 0.000 1.016 30 N CA 0.949 54.084 53.050 0.140 0.000 0.870 30 N CB -0.201 38.379 38.487 0.154 0.000 0.979 30 N HN 0.210 nan 8.380 nan 0.000 0.431 31 F N 2.485 122.531 119.950 0.160 0.000 2.134 31 F HA -0.071 4.452 4.527 -0.008 0.000 0.299 31 F C 1.994 177.899 175.800 0.174 0.000 1.097 31 F CA 1.221 59.335 58.000 0.189 0.000 1.264 31 F CB -0.122 38.961 39.000 0.138 0.000 1.001 31 F HN -0.038 nan 8.300 nan 0.000 0.479 32 N N 0.473 119.403 118.700 0.383 0.000 2.244 32 N HA -0.159 4.576 4.740 -0.008 0.000 0.183 32 N C 2.006 177.597 175.510 0.134 0.000 1.016 32 N CA 0.971 54.167 53.050 0.243 0.000 0.866 32 N CB -0.484 38.126 38.487 0.205 0.000 0.980 32 N HN 0.380 nan 8.380 nan 0.000 0.430 33 R N 0.291 120.868 120.500 0.127 0.000 2.081 33 R HA -0.087 4.248 4.340 -0.008 0.000 0.235 33 R C 1.747 178.125 176.300 0.129 0.000 1.131 33 R CA 1.431 57.630 56.100 0.165 0.000 0.960 33 R CB -0.157 30.163 30.300 0.032 0.000 0.856 33 R HN 0.366 nan 8.270 nan 0.000 0.436 34 H N -0.506 118.605 119.070 0.067 0.000 2.389 34 H HA -0.102 4.449 4.556 -0.008 0.000 0.299 34 H C 1.846 177.105 175.328 -0.114 0.000 1.081 34 H CA 1.327 57.347 56.048 -0.046 0.000 1.345 34 H CB 0.118 29.813 29.762 -0.110 0.000 1.393 34 H HN 0.122 nan 8.280 nan 0.000 0.520 35 L N -0.010 121.193 121.223 -0.033 0.000 2.083 35 L HA -0.183 4.152 4.340 -0.008 0.000 0.209 35 L C 2.136 178.983 176.870 -0.038 0.000 1.083 35 L CA 1.829 56.619 54.840 -0.084 0.000 0.752 35 L CB -0.408 41.608 42.059 -0.072 0.000 0.899 35 L HN 0.292 nan 8.230 nan 0.000 0.433 36 H N -1.678 117.310 119.070 -0.137 0.000 2.273 36 H HA -0.033 4.518 4.556 -0.008 0.000 0.311 36 H C 1.805 176.928 175.328 -0.343 0.000 1.057 36 H CA 2.200 58.073 56.048 -0.291 0.000 1.360 36 H CB -0.322 29.166 29.762 -0.457 0.000 1.414 36 H HN 0.269 nan 8.280 nan 0.000 0.516 37 F N -0.282 119.657 119.950 -0.018 0.000 2.259 37 F HA -0.050 4.472 4.527 -0.008 0.000 0.298 37 F C 2.579 178.305 175.800 -0.123 0.000 1.088 37 F CA 1.448 59.389 58.000 -0.098 0.000 1.358 37 F CB -0.440 38.535 39.000 -0.042 0.000 1.040 37 F HN 0.195 nan 8.300 nan 0.000 0.505 38 T N -0.399 114.187 114.554 0.052 0.000 2.901 38 T HA 0.019 4.364 4.350 -0.008 0.000 0.252 38 T C 1.719 176.323 174.700 -0.161 0.000 1.035 38 T CA 0.691 62.748 62.100 -0.072 0.000 1.142 38 T CB -0.211 68.584 68.868 -0.123 0.000 0.869 38 T HN -0.058 nan 8.240 nan 0.000 0.442 39 L N 1.080 122.208 121.223 -0.158 0.000 2.446 39 L HA 0.264 4.599 4.340 -0.008 0.000 0.219 39 L C 0.642 177.414 176.870 -0.163 0.000 1.116 39 L CA 0.375 55.112 54.840 -0.172 0.000 0.844 39 L CB -0.688 41.280 42.059 -0.151 0.000 0.970 39 L HN 0.043 nan 8.230 nan 0.000 0.457 40 V N 0.336 120.137 119.914 -0.188 0.000 6.016 40 V HA -0.296 3.820 4.120 -0.008 0.000 0.265 40 V C 0.360 176.341 176.094 -0.190 0.000 0.621 40 V CA 0.809 62.969 62.300 -0.234 0.000 0.592 40 V CB -2.070 29.642 31.823 -0.184 0.000 0.298 40 V HN 0.438 nan 8.190 nan 0.000 0.615 41 K N 0.736 121.033 120.400 -0.172 0.000 2.509 41 K HA 0.696 5.011 4.320 -0.008 0.000 0.266 41 K C -0.634 175.936 176.600 -0.050 0.000 0.987 41 K CA -0.547 55.675 56.287 -0.109 0.000 0.868 41 K CB 2.809 35.243 32.500 -0.109 0.000 1.421 41 K HN 0.504 nan 8.250 nan 0.000 0.444 42 D N -0.755 119.637 120.400 -0.014 0.000 2.374 42 D HA 0.333 4.968 4.640 -0.008 0.000 0.239 42 D C 0.719 177.054 176.300 0.059 0.000 0.991 42 D CA -0.744 53.282 54.000 0.044 0.000 0.960 42 D CB 1.027 41.849 40.800 0.037 0.000 1.284 42 D HN 0.098 nan 8.370 nan 0.000 0.512 43 R N 0.395 120.960 120.500 0.109 0.000 2.159 43 R HA -0.046 4.289 4.340 -0.008 0.000 0.237 43 R C 0.990 177.364 176.300 0.124 0.000 1.131 43 R CA 0.632 56.835 56.100 0.172 0.000 0.982 43 R CB -0.802 29.603 30.300 0.176 0.000 0.868 43 R HN 0.558 nan 8.270 nan 0.000 0.453 44 N N 0.536 119.278 118.700 0.070 0.000 2.381 44 N HA -0.092 4.643 4.740 -0.008 0.000 0.182 44 N C 1.431 176.960 175.510 0.032 0.000 1.025 44 N CA 1.486 54.566 53.050 0.049 0.000 0.888 44 N CB 0.322 38.827 38.487 0.031 0.000 0.965 44 N HN 0.205 nan 8.380 nan 0.000 0.438 45 V N -3.225 116.695 119.914 0.010 0.000 3.432 45 V HA 0.511 4.627 4.120 -0.008 0.000 0.298 45 V C 0.670 176.728 176.094 -0.060 0.000 1.464 45 V CA -0.624 61.667 62.300 -0.016 0.000 1.046 45 V CB -0.141 31.668 31.823 -0.023 0.000 0.887 45 V HN 0.026 nan 8.190 nan 0.000 0.441 46 A N 2.009 124.770 122.820 -0.098 0.000 2.425 46 A HA 0.630 4.945 4.320 -0.008 0.000 0.249 46 A C 0.698 178.083 177.584 -0.331 0.000 1.084 46 A CA 0.772 52.627 52.037 -0.304 0.000 0.781 46 A CB 0.070 18.749 19.000 -0.534 0.000 1.019 46 A HN 0.796 nan 8.150 nan 0.000 0.490 47 T N -0.156 114.199 114.554 -0.331 0.000 2.949 47 T HA 0.591 4.937 4.350 -0.008 0.000 0.287 47 T C -2.214 172.395 174.700 -0.151 0.000 1.034 47 T CA -1.808 60.202 62.100 -0.150 0.000 1.018 47 T CB 1.357 70.194 68.868 -0.052 0.000 1.135 47 T HN 0.224 nan 8.240 nan 0.000 0.532 48 P HA -0.103 nan 4.420 nan 0.000 0.216 48 P C 1.605 179.023 177.300 0.195 0.000 1.150 48 P CA 0.985 64.229 63.100 0.240 0.000 0.843 48 P CB 0.059 31.863 31.700 0.173 0.000 0.787 49 R N -0.069 120.494 120.500 0.104 0.000 2.096 49 R HA -0.140 4.196 4.340 -0.008 0.000 0.235 49 R C 1.648 178.128 176.300 0.300 0.000 1.127 49 R CA 1.773 57.977 56.100 0.173 0.000 0.968 49 R CB -0.668 29.669 30.300 0.062 0.000 0.861 49 R HN 0.099 nan 8.270 nan 0.000 0.440 50 D N -0.306 120.149 120.400 0.091 0.000 2.117 50 D HA -0.183 4.452 4.640 -0.008 0.000 0.197 50 D C 1.732 178.061 176.300 0.049 0.000 0.987 50 D CA 1.307 55.317 54.000 0.016 0.000 0.829 50 D CB -0.315 40.343 40.800 -0.236 0.000 0.961 50 D HN 0.301 nan 8.370 nan 0.000 0.460 51 Y N 0.109 120.514 120.300 0.175 0.000 2.224 51 Y HA -0.204 4.342 4.550 -0.008 0.000 0.289 51 Y C 2.318 178.347 175.900 0.215 0.000 1.146 51 Y CA 0.311 58.551 58.100 0.233 0.000 1.182 51 Y CB -1.119 37.547 38.460 0.345 0.000 0.983 51 Y HN 0.089 nan 8.280 nan 0.000 0.524 52 Y N -0.465 119.982 120.300 0.245 0.000 2.128 52 Y HA -0.280 4.265 4.550 -0.008 0.000 0.284 52 Y C 1.940 177.813 175.900 -0.046 0.000 1.154 52 Y CA 1.247 59.387 58.100 0.067 0.000 1.149 52 Y CB -1.146 37.253 38.460 -0.101 0.000 0.976 52 Y HN 0.053 nan 8.280 nan 0.000 0.505 53 F N 0.182 119.896 119.950 -0.393 0.000 2.186 53 F HA -0.113 4.410 4.527 -0.007 0.000 0.299 53 F C 2.637 178.275 175.800 -0.269 0.000 1.090 53 F CA 1.272 58.997 58.000 -0.459 0.000 1.307 53 F CB -0.792 38.120 39.000 -0.148 0.000 1.019 53 F HN 0.196 nan 8.300 nan 0.000 0.489 54 A N -0.196 122.566 122.820 -0.097 0.000 1.902 54 A HA -0.173 4.143 4.320 -0.008 0.000 0.217 54 A C 2.055 179.523 177.584 -0.193 0.000 1.181 54 A CA 1.520 53.380 52.037 -0.295 0.000 0.623 54 A CB -0.970 17.507 19.000 -0.871 0.000 0.818 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 L N -0.251 120.963 121.223 -0.015 0.000 2.027 55 L HA 0.000 4.336 4.340 -0.008 0.000 0.206 55 L C 2.672 179.536 176.870 -0.010 0.000 1.074 55 L CA 2.138 57.101 54.840 0.206 0.000 0.745 55 L CB -0.936 41.311 42.059 0.313 0.000 0.898 55 L HN 0.336 nan 8.230 nan 0.000 0.433 56 A N -1.156 121.479 122.820 -0.309 0.000 1.883 56 A HA -0.294 4.021 4.320 -0.008 0.000 0.217 56 A C 2.147 179.376 177.584 -0.591 0.000 1.186 56 A CA 2.107 53.834 52.037 -0.517 0.000 0.624 56 A CB -1.128 17.235 19.000 -1.063 0.000 0.822 56 A HN 0.684 nan 8.150 nan 0.000 0.444 57 H N -0.936 117.821 119.070 -0.522 0.000 2.423 57 H HA -0.038 4.513 4.556 -0.008 0.000 0.297 57 H C 2.307 177.372 175.328 -0.438 0.000 1.075 57 H CA 1.858 57.523 56.048 -0.639 0.000 1.342 57 H CB -0.114 28.998 29.762 -1.083 0.000 1.395 57 H HN 0.469 nan 8.280 nan 0.000 0.530 58 T N -0.391 114.128 114.554 -0.057 0.000 2.737 58 T HA -0.118 4.228 4.350 -0.008 0.000 0.265 58 T C 2.262 177.117 174.700 0.259 0.000 1.038 58 T CA 1.276 63.510 62.100 0.224 0.000 1.144 58 T CB -0.353 68.715 68.868 0.333 0.000 0.866 58 T HN 0.094 nan 8.240 nan 0.000 0.434 59 V N 1.682 121.737 119.914 0.235 0.000 2.358 59 V HA -0.138 3.977 4.120 -0.008 0.000 0.246 59 V C 2.613 178.892 176.094 0.308 0.000 1.047 59 V CA 1.659 64.151 62.300 0.320 0.000 1.035 59 V CB -0.644 31.363 31.823 0.307 0.000 0.658 59 V HN 0.380 nan 8.190 nan 0.000 0.452 60 R N 0.258 120.876 120.500 0.196 0.000 2.105 60 R HA -0.224 4.111 4.340 -0.008 0.000 0.239 60 R C 1.946 178.335 176.300 0.148 0.000 1.135 60 R CA 2.133 58.341 56.100 0.180 0.000 0.967 60 R CB -0.430 29.808 30.300 -0.103 0.000 0.861 60 R HN 0.469 nan 8.270 nan 0.000 0.442 61 D N -0.082 120.380 120.400 0.103 0.000 2.149 61 D HA -0.173 4.462 4.640 -0.008 0.000 0.198 61 D C 1.705 177.992 176.300 -0.022 0.000 0.990 61 D CA 1.150 55.176 54.000 0.043 0.000 0.839 61 D CB -0.384 40.420 40.800 0.008 0.000 0.948 61 D HN 0.453 nan 8.370 nan 0.000 0.460 62 H N -0.283 118.853 119.070 0.111 0.000 2.521 62 H HA 0.039 4.591 4.556 -0.007 0.000 0.286 62 H C 2.202 177.574 175.328 0.073 0.000 1.034 62 H CA 0.422 56.519 56.048 0.082 0.000 1.278 62 H CB 0.305 30.108 29.762 0.067 0.000 1.386 62 H HN 0.220 nan 8.280 nan 0.000 0.567 63 L N 0.265 121.596 121.223 0.180 0.000 2.102 63 L HA -0.107 4.228 4.340 -0.008 0.000 0.202 63 L C 2.804 179.785 176.870 0.185 0.000 1.076 63 L CA 0.648 55.564 54.840 0.126 0.000 0.761 63 L CB -0.408 41.691 42.059 0.067 0.000 0.921 63 L HN 0.089 nan 8.230 nan 0.000 0.444 64 V N -1.316 118.740 119.914 0.236 0.000 2.277 64 V HA -0.275 3.841 4.120 -0.008 0.000 0.253 64 V C 2.330 178.548 176.094 0.205 0.000 1.067 64 V CA 2.281 64.760 62.300 0.299 0.000 1.047 64 V CB -2.034 29.915 31.823 0.211 0.000 0.649 64 V HN 0.445 nan 8.190 nan 0.000 0.447 65 G N -0.010 108.865 108.800 0.125 0.000 2.476 65 G HA2 -0.277 3.679 3.960 -0.008 0.000 0.218 65 G HA3 -0.277 3.679 3.960 -0.008 0.000 0.218 65 G C 1.765 176.717 174.900 0.086 0.000 1.164 65 G CA 1.123 46.271 45.100 0.080 0.000 0.768 65 G HN 0.552 nan 8.290 nan 0.000 0.560 66 R N -1.539 119.021 120.500 0.100 0.000 2.115 66 R HA -0.046 4.289 4.340 -0.008 0.000 0.230 66 R C 2.245 178.629 176.300 0.140 0.000 1.111 66 R CA 0.937 57.083 56.100 0.076 0.000 0.976 66 R CB -0.309 30.018 30.300 0.045 0.000 0.870 66 R HN 0.495 nan 8.270 nan 0.000 0.445 67 W N 1.467 122.749 121.300 -0.029 0.000 2.355 67 W HA -0.084 4.572 4.660 -0.007 0.000 0.309 67 W C 1.624 178.115 176.519 -0.046 0.000 1.206 67 W CA 0.982 58.306 57.345 -0.036 0.000 1.284 67 W CB -0.573 28.885 29.460 -0.003 0.000 1.145 67 W HN -0.032 nan 8.180 nan 0.000 0.502 68 I N 1.029 121.661 120.570 0.103 0.000 2.226 68 I HA -0.335 3.830 4.170 -0.008 0.000 0.245 68 I C 2.600 178.701 176.117 -0.026 0.000 1.100 68 I CA 1.876 63.150 61.300 -0.044 0.000 1.374 68 I CB -0.546 37.432 38.000 -0.036 0.000 1.057 68 I HN -0.011 nan 8.210 nan 0.000 0.413 69 R N 0.074 120.574 120.500 0.000 0.000 2.153 69 R HA -0.023 4.312 4.340 -0.008 0.000 0.218 69 R C 1.986 178.253 176.300 -0.054 0.000 1.072 69 R CA 1.383 57.474 56.100 -0.015 0.000 0.990 69 R CB -1.148 29.143 30.300 -0.015 0.000 0.889 69 R HN 0.194 nan 8.270 nan 0.000 0.452 70 T N 1.641 116.139 114.554 -0.093 0.000 2.674 70 T HA -0.109 4.236 4.350 -0.008 0.000 0.265 70 T C 1.847 176.280 174.700 -0.445 0.000 1.039 70 T CA 1.301 63.238 62.100 -0.273 0.000 1.150 70 T CB -0.108 68.627 68.868 -0.220 0.000 0.864 70 T HN 0.205 nan 8.240 nan 0.000 0.427 71 Q N 0.852 120.523 119.800 -0.216 0.000 2.084 71 Q HA -0.104 4.232 4.340 -0.008 0.000 0.202 71 Q C 2.382 178.381 176.000 -0.003 0.000 0.978 71 Q CA 1.399 57.138 55.803 -0.106 0.000 0.844 71 Q CB -0.622 28.089 28.738 -0.046 0.000 0.898 71 Q HN 0.474 nan 8.270 nan 0.000 0.426 72 Q N 0.097 119.898 119.800 0.002 0.000 2.124 72 Q HA -0.185 4.150 4.340 -0.008 0.000 0.202 72 Q C 1.864 177.953 176.000 0.149 0.000 0.977 72 Q CA 1.909 57.762 55.803 0.084 0.000 0.850 72 Q CB -0.386 28.383 28.738 0.052 0.000 0.901 72 Q HN 0.558 nan 8.270 nan 0.000 0.429 73 H N -0.929 118.118 119.070 -0.037 0.000 2.321 73 H HA -0.163 4.388 4.556 -0.008 0.000 0.300 73 H C 1.078 176.477 175.328 0.118 0.000 1.087 73 H CA 2.227 58.265 56.048 -0.016 0.000 1.319 73 H CB -0.331 29.355 29.762 -0.125 0.000 1.379 73 H HN 0.346 nan 8.280 nan 0.000 0.501 74 Y N -1.035 119.291 120.300 0.044 0.000 2.333 74 Y HA -0.171 4.374 4.550 -0.008 0.000 0.290 74 Y C 2.363 178.282 175.900 0.031 0.000 1.144 74 Y CA 0.937 59.031 58.100 -0.010 0.000 1.228 74 Y CB -1.258 37.264 38.460 0.102 0.000 0.985 74 Y HN 0.369 nan 8.280 nan 0.000 0.542 75 Y N 1.262 121.634 120.300 0.119 0.000 2.200 75 Y HA -0.151 4.395 4.550 -0.008 0.000 0.290 75 Y C 2.071 177.976 175.900 0.008 0.000 1.137 75 Y CA 1.572 59.708 58.100 0.059 0.000 1.163 75 Y CB -0.097 38.388 38.460 0.042 0.000 0.988 75 Y HN 0.040 nan 8.280 nan 0.000 0.518 76 E N 0.231 120.388 120.200 -0.072 0.000 2.028 76 E HA -0.147 4.198 4.350 -0.008 0.000 0.191 76 E C 1.903 178.393 176.600 -0.184 0.000 0.988 76 E CA 1.173 57.474 56.400 -0.165 0.000 0.799 76 E CB -0.199 29.478 29.700 -0.038 0.000 0.755 76 E HN 0.375 nan 8.360 nan 0.000 0.447 77 K N 0.897 121.181 120.400 -0.193 0.000 2.366 77 K HA -0.064 4.251 4.320 -0.008 0.000 0.198 77 K C 0.145 176.672 176.600 -0.122 0.000 1.044 77 K CA 0.432 56.615 56.287 -0.173 0.000 0.973 77 K CB -0.445 31.896 32.500 -0.265 0.000 0.767 77 K HN 0.093 nan 8.250 nan 0.000 0.475 78 D N 1.074 121.412 120.400 -0.103 0.000 2.735 78 D HA -0.114 4.521 4.640 -0.008 0.000 0.235 78 D C -2.221 174.046 176.300 -0.054 0.000 1.175 78 D CA 0.120 54.079 54.000 -0.068 0.000 0.683 78 D CB -0.161 40.573 40.800 -0.111 0.000 1.008 78 D HN 0.200 nan 8.370 nan 0.000 0.416 79 P HA 0.131 nan 4.420 nan 0.000 0.279 79 P C -0.212 177.038 177.300 -0.083 0.000 1.276 79 P CA -0.703 62.352 63.100 -0.075 0.000 0.801 79 P CB 0.662 32.300 31.700 -0.103 0.000 1.127 80 K N 0.990 121.343 120.400 -0.078 0.000 2.412 80 K HA 0.054 4.369 4.320 -0.008 0.000 0.281 80 K C 0.149 176.654 176.600 -0.159 0.000 1.027 80 K CA -0.193 56.042 56.287 -0.087 0.000 0.989 80 K CB 0.329 32.795 32.500 -0.058 0.000 0.935 80 K HN 0.294 nan 8.250 nan 0.000 0.475 81 R N 4.316 124.706 120.500 -0.184 0.000 2.368 81 R HA 0.349 4.685 4.340 -0.008 0.000 0.302 81 R C -0.192 175.810 176.300 -0.498 0.000 1.002 81 R CA -0.794 55.111 56.100 -0.325 0.000 0.929 81 R CB 0.703 30.802 30.300 -0.335 0.000 1.073 81 R HN 0.507 nan 8.270 nan 0.000 0.464 82 I N 3.879 124.110 120.570 -0.564 0.000 2.339 82 I HA 0.248 4.414 4.170 -0.008 0.000 0.290 82 I C -0.495 175.310 176.117 -0.519 0.000 0.994 82 I CA -1.026 59.892 61.300 -0.637 0.000 1.191 82 I CB 0.550 38.060 38.000 -0.818 0.000 1.343 82 I HN 0.421 nan 8.210 nan 0.000 0.458 83 Y N 6.062 126.330 120.300 -0.054 0.000 2.356 83 Y HA 0.279 4.825 4.550 -0.007 0.000 0.334 83 Y C -0.269 175.745 175.900 0.190 0.000 0.958 83 Y CA -0.763 57.434 58.100 0.162 0.000 1.196 83 Y CB 1.034 39.548 38.460 0.089 0.000 1.137 83 Y HN 0.388 nan 8.280 nan 0.000 0.485 84 Y N 4.559 125.049 120.300 0.316 0.000 2.518 84 Y HA 0.467 5.012 4.550 -0.007 0.000 0.344 84 Y C -1.208 174.964 175.900 0.452 0.000 0.982 84 Y CA -1.017 57.278 58.100 0.324 0.000 1.234 84 Y CB 0.262 38.916 38.460 0.322 0.000 1.114 84 Y HN 0.498 nan 8.280 nan 0.000 0.515 85 L N 4.901 126.182 121.223 0.096 0.000 2.265 85 L HA 0.485 4.820 4.340 -0.008 0.000 0.288 85 L C -0.150 176.722 176.870 0.003 0.000 1.058 85 L CA 0.140 55.082 54.840 0.169 0.000 0.809 85 L CB 1.267 43.399 42.059 0.121 0.000 1.179 85 L HN 0.581 nan 8.230 nan 0.000 0.429 86 S N 2.393 118.175 115.700 0.137 0.000 2.537 86 S HA 0.497 4.963 4.470 -0.008 0.000 0.270 86 S C 0.148 174.825 174.600 0.128 0.000 1.142 86 S CA -0.505 57.672 58.200 -0.038 0.000 0.870 86 S CB 1.014 63.939 63.200 -0.459 0.000 1.112 86 S HN 0.454 nan 8.310 nan 0.000 0.466 87 L N 2.744 124.084 121.223 0.195 0.000 2.591 87 L HA 0.460 4.795 4.340 -0.008 0.000 0.228 87 L C 0.232 177.296 176.870 0.324 0.000 1.133 87 L CA 0.949 55.976 54.840 0.311 0.000 0.880 87 L CB -0.078 42.180 42.059 0.332 0.000 1.033 87 L HN 0.642 nan 8.230 nan 0.000 0.450 88 E N -1.234 119.023 120.200 0.095 0.000 2.292 88 E HA 0.404 4.750 4.350 -0.008 0.000 0.272 88 E C -1.389 175.085 176.600 -0.211 0.000 0.881 88 E CA -0.431 56.008 56.400 0.066 0.000 0.754 88 E CB 1.881 31.600 29.700 0.031 0.000 1.201 88 E HN -0.162 nan 8.360 nan 0.000 0.425 89 F N 2.149 122.207 119.950 0.180 0.000 2.902 89 F HA 0.166 4.688 4.527 -0.008 0.000 0.368 89 F C -0.841 175.051 175.800 0.154 0.000 1.202 89 F CA -0.759 57.340 58.000 0.165 0.000 1.109 89 F CB 0.960 40.051 39.000 0.150 0.000 1.418 89 F HN 0.497 nan 8.300 nan 0.000 0.527 90 Y N 5.194 125.574 120.300 0.134 0.000 2.636 90 Y HA 0.185 4.731 4.550 -0.007 0.000 0.334 90 Y C 1.099 177.026 175.900 0.045 0.000 1.286 90 Y CA -0.968 57.161 58.100 0.048 0.000 1.688 90 Y CB 0.228 38.699 38.460 0.018 0.000 1.662 90 Y HN 0.537 nan 8.280 nan 0.000 0.465 91 M N 1.103 120.835 119.600 0.221 0.000 2.200 91 M HA 0.076 4.552 4.480 -0.008 0.000 0.265 91 M C 1.621 177.899 176.300 -0.037 0.000 1.066 91 M CA 1.142 56.481 55.300 0.066 0.000 1.127 91 M CB -1.325 31.295 32.600 0.032 0.000 1.379 91 M HN 0.647 nan 8.290 nan 0.000 0.420 92 G N 1.047 109.834 108.800 -0.022 0.000 2.562 92 G HA2 -0.273 3.683 3.960 -0.008 0.000 0.250 92 G HA3 -0.273 3.683 3.960 -0.008 0.000 0.250 92 G C -0.262 174.596 174.900 -0.070 0.000 1.269 92 G CA -0.270 44.777 45.100 -0.088 0.000 0.919 92 G HN 0.447 nan 8.290 nan 0.000 0.574 93 R N -0.631 119.808 120.500 -0.102 0.000 2.582 93 R HA 0.537 4.873 4.340 -0.008 0.000 0.271 93 R C 1.096 177.284 176.300 -0.187 0.000 1.078 93 R CA 0.379 56.428 56.100 -0.084 0.000 1.127 93 R CB 0.631 30.886 30.300 -0.075 0.000 1.038 93 R HN 0.534 nan 8.270 nan 0.000 0.500 94 T N 1.304 115.699 114.554 -0.265 0.000 2.969 94 T HA -0.012 4.333 4.350 -0.008 0.000 0.250 94 T C 1.467 175.779 174.700 -0.646 0.000 1.021 94 T CA -0.161 61.565 62.100 -0.623 0.000 1.003 94 T CB 0.125 68.234 68.868 -1.265 0.000 1.040 94 T HN 0.316 nan 8.240 nan 0.000 0.492 95 L N 2.009 123.094 121.223 -0.230 0.000 1.955 95 L HA -0.081 4.254 4.340 -0.008 0.000 0.213 95 L C 2.477 179.319 176.870 -0.047 0.000 1.072 95 L CA 2.034 56.896 54.840 0.036 0.000 0.755 95 L CB -0.728 41.553 42.059 0.369 0.000 0.888 95 L HN 0.186 nan 8.230 nan 0.000 0.432 96 Q N -0.808 118.963 119.800 -0.047 0.000 2.084 96 Q HA -0.256 4.079 4.340 -0.008 0.000 0.202 96 Q C 2.237 178.168 176.000 -0.114 0.000 0.978 96 Q CA 1.871 57.638 55.803 -0.061 0.000 0.844 96 Q CB -0.320 28.379 28.738 -0.066 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.426 97 N N -0.984 117.608 118.700 -0.180 0.000 2.149 97 N HA -0.147 4.588 4.740 -0.008 0.000 0.188 97 N C 1.330 176.735 175.510 -0.176 0.000 1.019 97 N CA 1.794 54.728 53.050 -0.195 0.000 0.857 97 N CB 0.069 38.405 38.487 -0.251 0.000 0.997 97 N HN 0.229 nan 8.380 nan 0.000 0.426 98 T N 1.227 115.643 114.554 -0.231 0.000 2.777 98 T HA -0.033 4.313 4.350 -0.008 0.000 0.266 98 T C 2.062 176.704 174.700 -0.097 0.000 1.040 98 T CA 0.974 62.956 62.100 -0.197 0.000 1.141 98 T CB -0.039 68.666 68.868 -0.272 0.000 0.868 98 T HN 0.270 nan 8.240 nan 0.000 0.444 99 M N 0.626 120.187 119.600 -0.065 0.000 2.117 99 M HA -0.076 4.400 4.480 -0.008 0.000 0.262 99 M C 2.482 178.753 176.300 -0.048 0.000 1.065 99 M CA 1.204 56.481 55.300 -0.039 0.000 1.114 99 M CB -0.715 31.878 32.600 -0.011 0.000 1.361 99 M HN 0.096 nan 8.290 nan 0.000 0.408 100 V N 1.159 121.049 119.914 -0.039 0.000 2.255 100 V HA -0.282 3.833 4.120 -0.008 0.000 0.247 100 V C 1.800 177.908 176.094 0.023 0.000 1.051 100 V CA 2.038 64.341 62.300 0.004 0.000 1.018 100 V CB -0.905 30.922 31.823 0.006 0.000 0.641 100 V HN 0.473 nan 8.190 nan 0.000 0.445 101 N N -0.370 118.333 118.700 0.005 0.000 2.453 101 N HA -0.060 4.676 4.740 -0.008 0.000 0.183 101 N C 1.060 176.478 175.510 -0.153 0.000 1.041 101 N CA 0.748 53.782 53.050 -0.027 0.000 0.900 101 N CB -0.115 38.363 38.487 -0.015 0.000 0.961 101 N HN 0.293 nan 8.380 nan 0.000 0.443 102 L N -0.396 120.754 121.223 -0.122 0.000 2.693 102 L HA 0.413 4.748 4.340 -0.008 0.000 0.235 102 L C 0.472 177.258 176.870 -0.141 0.000 1.127 102 L CA -0.208 54.556 54.840 -0.126 0.000 0.914 102 L CB -0.614 41.394 42.059 -0.085 0.000 1.193 102 L HN 0.089 nan 8.230 nan 0.000 0.502 103 A N -0.424 122.313 122.820 -0.138 0.000 2.791 103 A HA -0.217 4.098 4.320 -0.008 0.000 0.292 103 A C 0.986 178.511 177.584 -0.099 0.000 1.487 103 A CA 0.974 52.941 52.037 -0.117 0.000 0.760 103 A CB -1.916 17.000 19.000 -0.141 0.000 1.031 103 A HN 0.226 nan 8.150 nan 0.000 0.503 104 L N -0.990 120.178 121.223 -0.091 0.000 2.731 104 L HA 0.273 4.608 4.340 -0.008 0.000 0.240 104 L C 1.787 178.626 176.870 -0.051 0.000 1.120 104 L CA 1.432 56.215 54.840 -0.095 0.000 0.913 104 L CB -0.151 41.830 42.059 -0.130 0.000 1.213 104 L HN 0.608 nan 8.230 nan 0.000 0.515 105 E N -0.139 120.040 120.200 -0.036 0.000 2.058 105 E HA -0.242 4.103 4.350 -0.008 0.000 0.194 105 E C 1.517 178.108 176.600 -0.015 0.000 0.997 105 E CA 1.527 57.917 56.400 -0.017 0.000 0.801 105 E CB 0.263 29.954 29.700 -0.014 0.000 0.746 105 E HN 0.420 nan 8.360 nan 0.000 0.450 106 N N -0.051 118.636 118.700 -0.023 0.000 2.142 106 N HA -0.102 4.633 4.740 -0.008 0.000 0.186 106 N C 1.575 177.072 175.510 -0.022 0.000 1.023 106 N CA 1.171 54.207 53.050 -0.024 0.000 0.852 106 N CB -0.363 38.108 38.487 -0.027 0.000 0.998 106 N HN 0.206 nan 8.380 nan 0.000 0.424 107 A N 0.531 123.336 122.820 -0.026 0.000 1.877 107 A HA -0.154 4.161 4.320 -0.008 0.000 0.216 107 A C 2.655 180.236 177.584 -0.006 0.000 1.186 107 A CA 1.388 53.413 52.037 -0.020 0.000 0.620 107 A CB -1.040 17.937 19.000 -0.037 0.000 0.822 107 A HN 0.435 nan 8.150 nan 0.000 0.443 108 C N -0.830 118.468 119.300 -0.003 0.000 2.440 108 C HA -0.064 4.391 4.460 -0.008 0.000 0.278 108 C C 2.479 177.477 174.990 0.015 0.000 1.295 108 C CA 1.030 60.059 59.018 0.019 0.000 1.738 108 C CB -1.082 26.682 27.740 0.041 0.000 1.987 108 C HN 0.674 nan 8.230 nan 0.000 0.492 109 D N 0.715 121.122 120.400 0.011 0.000 2.097 109 D HA -0.143 4.492 4.640 -0.008 0.000 0.195 109 D C 2.128 178.446 176.300 0.030 0.000 0.989 109 D CA 1.556 55.565 54.000 0.015 0.000 0.827 109 D CB -0.252 40.545 40.800 -0.005 0.000 0.966 109 D HN 0.480 nan 8.370 nan 0.000 0.456 110 E N 0.466 120.675 120.200 0.015 0.000 2.051 110 E HA -0.083 4.263 4.350 -0.008 0.000 0.192 110 E C 1.905 178.547 176.600 0.071 0.000 0.991 110 E CA 1.735 58.160 56.400 0.042 0.000 0.799 110 E CB -0.580 29.126 29.700 0.010 0.000 0.748 110 E HN 0.203 nan 8.360 nan 0.000 0.449 111 A N -0.128 122.701 122.820 0.015 0.000 1.908 111 A HA -0.224 4.092 4.320 -0.008 0.000 0.218 111 A C 2.494 180.009 177.584 -0.115 0.000 1.181 111 A CA 2.898 54.916 52.037 -0.031 0.000 0.627 111 A CB -1.470 17.515 19.000 -0.025 0.000 0.818 111 A HN 0.530 nan 8.150 nan 0.000 0.445 112 T N -3.828 110.654 114.554 -0.121 0.000 2.904 112 T HA -0.178 4.167 4.350 -0.008 0.000 0.267 112 T C 1.815 176.434 174.700 -0.135 0.000 1.059 112 T CA 1.428 63.395 62.100 -0.222 0.000 1.137 112 T CB -0.536 68.246 68.868 -0.144 0.000 0.879 112 T HN 0.470 nan 8.240 nan 0.000 0.467 113 Y N 2.180 122.403 120.300 -0.129 0.000 2.114 113 Y HA -0.094 4.452 4.550 -0.007 0.000 0.284 113 Y C 2.660 178.499 175.900 -0.102 0.000 1.143 113 Y CA 1.568 59.611 58.100 -0.095 0.000 1.135 113 Y CB -0.573 37.850 38.460 -0.062 0.000 0.980 113 Y HN 0.211 nan 8.280 nan 0.000 0.499 114 Q N -0.835 118.903 119.800 -0.103 0.000 2.226 114 Q HA -0.150 4.186 4.340 -0.008 0.000 0.204 114 Q C 1.482 177.348 176.000 -0.222 0.000 0.975 114 Q CA 1.005 56.706 55.803 -0.169 0.000 0.866 114 Q CB -0.115 28.601 28.738 -0.036 0.000 0.915 114 Q HN 0.349 nan 8.270 nan 0.000 0.440 115 L N -0.788 120.285 121.223 -0.250 0.000 2.591 115 L HA 0.136 4.471 4.340 -0.008 0.000 0.228 115 L C 1.076 177.773 176.870 -0.289 0.000 1.133 115 L CA 1.161 55.835 54.840 -0.276 0.000 0.880 115 L CB -0.499 41.304 42.059 -0.427 0.000 1.033 115 L HN 0.316 nan 8.230 nan 0.000 0.450 116 G N 0.011 108.622 108.800 -0.316 0.000 2.198 116 G HA2 -0.261 3.694 3.960 -0.008 0.000 0.257 116 G HA3 -0.261 3.694 3.960 -0.008 0.000 0.257 116 G C 0.084 174.837 174.900 -0.244 0.000 1.042 116 G CA 0.365 45.288 45.100 -0.295 0.000 0.791 116 G HN 0.309 nan 8.290 nan 0.000 0.502 117 L N -0.390 120.689 121.223 -0.239 0.000 2.354 117 L HA 0.583 4.919 4.340 -0.008 0.000 0.269 117 L C -0.569 176.266 176.870 -0.060 0.000 1.005 117 L CA -1.193 53.542 54.840 -0.175 0.000 0.819 117 L CB 1.930 43.828 42.059 -0.268 0.000 1.311 117 L HN 0.083 nan 8.230 nan 0.000 0.423 118 D N 2.209 122.606 120.400 -0.004 0.000 2.396 118 D HA 0.161 4.797 4.640 -0.008 0.000 0.225 118 D C 0.685 177.019 176.300 0.056 0.000 1.121 118 D CA -0.226 53.801 54.000 0.046 0.000 0.853 118 D CB 1.427 42.258 40.800 0.053 0.000 1.043 118 D HN 0.516 nan 8.370 nan 0.000 0.500 119 M N 3.144 122.778 119.600 0.058 0.000 2.149 119 M HA -0.167 4.308 4.480 -0.008 0.000 0.261 119 M C 1.378 177.726 176.300 0.080 0.000 1.064 119 M CA 1.586 56.930 55.300 0.074 0.000 1.102 119 M CB 0.173 32.810 32.600 0.062 0.000 1.369 119 M HN 0.416 nan 8.290 nan 0.000 0.408 120 E N -0.210 120.028 120.200 0.063 0.000 2.110 120 E HA -0.263 4.082 4.350 -0.008 0.000 0.193 120 E C 1.858 178.496 176.600 0.063 0.000 0.988 120 E CA 1.474 57.908 56.400 0.058 0.000 0.804 120 E CB -0.127 29.604 29.700 0.052 0.000 0.745 120 E HN 0.645 nan 8.360 nan 0.000 0.458 121 E N 0.289 120.531 120.200 0.068 0.000 2.072 121 E HA -0.200 4.146 4.350 -0.008 0.000 0.191 121 E C 1.897 178.542 176.600 0.075 0.000 0.985 121 E CA 0.631 57.072 56.400 0.068 0.000 0.801 121 E CB 0.167 29.909 29.700 0.071 0.000 0.750 121 E HN 0.078 nan 8.360 nan 0.000 0.452 122 L N 1.328 122.618 121.223 0.112 0.000 2.093 122 L HA -0.122 4.213 4.340 -0.008 0.000 0.208 122 L C 2.055 178.985 176.870 0.100 0.000 1.085 122 L CA 1.604 56.542 54.840 0.164 0.000 0.755 122 L CB -0.561 41.654 42.059 0.261 0.000 0.904 122 L HN 0.130 nan 8.230 nan 0.000 0.435 123 E N -0.620 119.632 120.200 0.087 0.000 2.153 123 E HA -0.196 4.150 4.350 -0.008 0.000 0.194 123 E C 1.765 178.323 176.600 -0.071 0.000 0.988 123 E CA 0.789 57.209 56.400 0.034 0.000 0.811 123 E CB -0.000 29.728 29.700 0.048 0.000 0.746 123 E HN 0.410 nan 8.360 nan 0.000 0.466 124 E N 0.221 120.398 120.200 -0.039 0.000 2.409 124 E HA -0.098 4.248 4.350 -0.008 0.000 0.198 124 E C 1.781 178.315 176.600 -0.111 0.000 1.024 124 E CA 0.526 56.904 56.400 -0.037 0.000 0.861 124 E CB 0.100 29.815 29.700 0.026 0.000 0.788 124 E HN 0.431 nan 8.360 nan 0.000 0.521 125 I N 0.604 121.037 120.570 -0.228 0.000 2.716 125 I HA -0.069 4.096 4.170 -0.008 0.000 0.259 125 I C 1.319 177.105 176.117 -0.552 0.000 1.172 125 I CA 0.082 61.180 61.300 -0.337 0.000 1.478 125 I CB 0.119 37.929 38.000 -0.316 0.000 1.104 125 I HN -0.025 nan 8.210 nan 0.000 0.439 126 E N 2.469 122.203 120.200 -0.776 0.000 2.414 126 E HA -0.089 4.256 4.350 -0.008 0.000 0.263 126 E C -0.060 176.435 176.600 -0.174 0.000 1.000 126 E CA -0.101 55.915 56.400 -0.640 0.000 0.914 126 E CB 0.620 30.096 29.700 -0.373 0.000 0.948 126 E HN 0.048 nan 8.360 nan 0.000 0.444 127 E N 2.956 123.154 120.200 -0.003 0.000 2.313 127 E HA 0.089 4.435 4.350 -0.008 0.000 0.276 127 E C -1.257 175.457 176.600 0.190 0.000 1.031 127 E CA -0.293 56.195 56.400 0.147 0.000 0.857 127 E CB 0.815 30.686 29.700 0.286 0.000 1.040 127 E HN 0.352 nan 8.360 nan 0.000 0.408 128 D N 1.825 122.311 120.400 0.143 0.000 2.424 128 D HA 0.258 4.894 4.640 -0.008 0.000 0.244 128 D C -0.792 175.566 176.300 0.097 0.000 1.134 128 D CA 0.246 54.303 54.000 0.095 0.000 0.881 128 D CB 0.897 41.730 40.800 0.054 0.000 1.191 128 D HN 0.430 nan 8.370 nan 0.000 0.445 129 A N 2.483 125.314 122.820 0.018 0.000 2.666 129 A HA 0.485 4.800 4.320 -0.008 0.000 0.312 129 A C 0.934 178.381 177.584 -0.229 0.000 1.471 129 A CA -0.491 51.369 52.037 -0.295 0.000 1.134 129 A CB -0.145 18.757 19.000 -0.164 0.000 1.129 129 A HN 0.533 nan 8.150 nan 0.000 0.539 130 G N 2.095 110.717 108.800 -0.296 0.000 3.717 130 G HA2 0.419 4.374 3.960 -0.008 0.000 0.258 130 G HA3 0.419 4.374 3.960 -0.008 0.000 0.258 130 G C 0.283 174.982 174.900 -0.336 0.000 1.088 130 G CA -0.299 44.720 45.100 -0.136 0.000 1.737 130 G HN 0.690 nan 8.290 nan 0.000 0.648 131 L N 1.488 122.560 121.223 -0.252 0.000 2.939 131 L HA 0.370 4.705 4.340 -0.008 0.000 0.239 131 L C 1.036 177.842 176.870 -0.106 0.000 1.325 131 L CA -0.206 54.578 54.840 -0.094 0.000 1.170 131 L CB -0.358 41.764 42.059 0.106 0.000 1.538 131 L HN 0.342 nan 8.230 nan 0.000 0.452 132 G N -1.273 107.234 108.800 -0.488 0.000 2.660 132 G HA2 0.208 4.164 3.960 -0.008 0.000 0.290 132 G HA3 0.208 4.164 3.960 -0.008 0.000 0.290 132 G C -0.141 174.266 174.900 -0.821 0.000 1.432 132 G CA -0.450 44.309 45.100 -0.568 0.000 0.807 132 G HN -0.069 nan 8.290 nan 0.000 0.485 133 N N -0.807 117.648 118.700 -0.407 0.000 2.439 133 N HA 0.214 4.949 4.740 -0.008 0.000 0.176 133 N C 1.155 176.634 175.510 -0.050 0.000 1.029 133 N CA 1.273 54.186 53.050 -0.229 0.000 0.886 133 N CB 1.309 39.776 38.487 -0.033 0.000 1.057 133 N HN 0.824 nan 8.380 nan 0.000 0.437 134 G N -0.606 108.250 108.800 0.093 0.000 2.825 134 G HA2 0.177 4.132 3.960 -0.008 0.000 0.100 134 G HA3 0.177 4.132 3.960 -0.008 0.000 0.100 134 G C 0.759 175.792 174.900 0.223 0.000 1.195 134 G CA 0.234 45.495 45.100 0.269 0.000 1.317 134 G HN 0.167 nan 8.290 nan 0.000 0.632 135 G N 0.547 109.421 108.800 0.124 0.000 2.553 135 G HA2 -0.158 3.798 3.960 -0.008 0.000 0.218 135 G HA3 -0.158 3.798 3.960 -0.008 0.000 0.218 135 G C 1.916 176.817 174.900 0.001 0.000 1.195 135 G CA 1.650 46.782 45.100 0.053 0.000 0.779 135 G HN 0.898 nan 8.290 nan 0.000 0.577 136 L N 0.681 121.874 121.223 -0.050 0.000 2.012 136 L HA 0.025 4.360 4.340 -0.008 0.000 0.210 136 L C 2.874 179.682 176.870 -0.104 0.000 1.073 136 L CA 2.186 56.912 54.840 -0.191 0.000 0.748 136 L CB -0.650 41.246 42.059 -0.272 0.000 0.891 136 L HN 0.265 nan 8.230 nan 0.000 0.431 137 G N -0.751 108.048 108.800 -0.002 0.000 2.402 137 G HA2 -0.267 3.688 3.960 -0.008 0.000 0.216 137 G HA3 -0.267 3.688 3.960 -0.008 0.000 0.216 137 G C 1.695 176.683 174.900 0.146 0.000 1.162 137 G CA 0.396 45.525 45.100 0.049 0.000 0.777 137 G HN 0.203 nan 8.290 nan 0.000 0.539 138 R N 0.099 120.718 120.500 0.199 0.000 2.092 138 R HA 0.079 4.414 4.340 -0.008 0.000 0.231 138 R C 2.477 178.794 176.300 0.029 0.000 1.119 138 R CA 0.788 56.971 56.100 0.138 0.000 0.970 138 R CB -0.991 29.350 30.300 0.068 0.000 0.864 138 R HN 0.399 nan 8.270 nan 0.000 0.440 139 L N 0.662 121.834 121.223 -0.085 0.000 2.042 139 L HA -0.082 4.253 4.340 -0.008 0.000 0.210 139 L C 2.182 178.780 176.870 -0.453 0.000 1.076 139 L CA 2.249 56.896 54.840 -0.321 0.000 0.749 139 L CB -0.781 41.053 42.059 -0.376 0.000 0.893 139 L HN 0.183 nan 8.230 nan 0.000 0.432 140 A N -0.654 122.043 122.820 -0.204 0.000 1.933 140 A HA -0.119 4.196 4.320 -0.008 0.000 0.218 140 A C 2.440 180.111 177.584 0.144 0.000 1.175 140 A CA 1.790 53.801 52.037 -0.042 0.000 0.628 140 A CB -1.118 17.827 19.000 -0.093 0.000 0.814 140 A HN 0.578 nan 8.150 nan 0.000 0.444 141 A N -0.972 121.953 122.820 0.175 0.000 1.877 141 A HA -0.165 4.150 4.320 -0.008 0.000 0.216 141 A C 2.315 179.985 177.584 0.144 0.000 1.186 141 A CA 1.669 53.829 52.037 0.206 0.000 0.620 141 A CB -1.278 17.827 19.000 0.175 0.000 0.822 141 A HN 0.597 nan 8.150 nan 0.000 0.443 142 C N -1.491 117.890 119.300 0.135 0.000 2.429 142 C HA -0.057 4.398 4.460 -0.008 0.000 0.277 142 C C 2.428 177.582 174.990 0.274 0.000 1.262 142 C CA 0.582 59.715 59.018 0.192 0.000 1.733 142 C CB -1.627 26.246 27.740 0.222 0.000 2.010 142 C HN 0.602 nan 8.230 nan 0.000 0.483 143 F N 0.611 120.550 119.950 -0.017 0.000 2.126 143 F HA -0.089 4.434 4.527 -0.008 0.000 0.299 143 F C 2.123 177.862 175.800 -0.102 0.000 1.096 143 F CA 1.079 59.010 58.000 -0.116 0.000 1.255 143 F CB -1.389 37.400 39.000 -0.351 0.000 0.997 143 F HN 0.100 nan 8.300 nan 0.000 0.479 144 L N 0.285 121.589 121.223 0.134 0.000 2.042 144 L HA -0.236 4.100 4.340 -0.008 0.000 0.210 144 L C 2.174 179.059 176.870 0.024 0.000 1.076 144 L CA 1.977 56.850 54.840 0.055 0.000 0.749 144 L CB -1.331 40.767 42.059 0.065 0.000 0.893 144 L HN 0.110 nan 8.230 nan 0.000 0.432 145 D N -1.512 118.912 120.400 0.041 0.000 2.104 145 D HA -0.179 4.457 4.640 -0.008 0.000 0.194 145 D C 2.190 178.508 176.300 0.029 0.000 0.994 145 D CA 1.557 55.567 54.000 0.017 0.000 0.830 145 D CB 0.148 40.958 40.800 0.017 0.000 0.959 145 D HN 0.187 nan 8.370 nan 0.000 0.452 146 S N -0.767 114.966 115.700 0.055 0.000 2.382 146 S HA -0.116 4.349 4.470 -0.008 0.000 0.228 146 S C 2.002 176.613 174.600 0.018 0.000 1.027 146 S CA 0.932 59.156 58.200 0.039 0.000 0.991 146 S CB -0.234 62.993 63.200 0.045 0.000 0.823 146 S HN 0.347 nan 8.310 nan 0.000 0.469 147 M N 0.911 120.514 119.600 0.005 0.000 2.159 147 M HA -0.092 4.383 4.480 -0.008 0.000 0.263 147 M C 2.424 178.724 176.300 -0.000 0.000 1.063 147 M CA 1.389 56.688 55.300 -0.002 0.000 1.110 147 M CB -0.498 32.081 32.600 -0.035 0.000 1.374 147 M HN 0.392 nan 8.290 nan 0.000 0.411 148 A N -0.311 122.507 122.820 -0.003 0.000 1.897 148 A HA -0.099 4.217 4.320 -0.008 0.000 0.215 148 A C 2.168 179.767 177.584 0.025 0.000 1.181 148 A CA 1.863 53.902 52.037 0.004 0.000 0.620 148 A CB -0.978 18.009 19.000 -0.022 0.000 0.821 148 A HN 0.401 nan 8.150 nan 0.000 0.443 149 T N 0.293 114.866 114.554 0.033 0.000 2.915 149 T HA 0.019 4.364 4.350 -0.008 0.000 0.269 149 T C 1.285 176.015 174.700 0.050 0.000 1.071 149 T CA 1.001 63.135 62.100 0.056 0.000 1.132 149 T CB -0.254 68.655 68.868 0.068 0.000 0.878 149 T HN 0.331 nan 8.240 nan 0.000 0.479 150 L N 0.560 121.807 121.223 0.041 0.000 2.653 150 L HA 0.298 4.633 4.340 -0.008 0.000 0.231 150 L C 1.611 178.510 176.870 0.049 0.000 1.153 150 L CA -0.116 54.750 54.840 0.042 0.000 0.933 150 L CB -0.459 41.624 42.059 0.039 0.000 1.175 150 L HN 0.384 nan 8.230 nan 0.000 0.473 151 G N 1.188 110.021 108.800 0.055 0.000 2.283 151 G HA2 -0.292 3.663 3.960 -0.008 0.000 0.280 151 G HA3 -0.292 3.663 3.960 -0.008 0.000 0.280 151 G C 0.133 175.076 174.900 0.072 0.000 1.029 151 G CA 0.116 45.266 45.100 0.083 0.000 0.840 151 G HN 0.302 nan 8.290 nan 0.000 0.505 152 L N -0.199 121.035 121.223 0.018 0.000 2.350 152 L HA 0.591 4.927 4.340 -0.008 0.000 0.275 152 L C 1.232 177.972 176.870 -0.217 0.000 1.099 152 L CA -0.350 54.449 54.840 -0.067 0.000 0.808 152 L CB 1.583 43.618 42.059 -0.039 0.000 1.149 152 L HN 0.248 nan 8.230 nan 0.000 0.442 153 A N 3.182 125.729 122.820 -0.454 0.000 3.026 153 A HA 0.539 4.854 4.320 -0.008 0.000 0.272 153 A C 0.363 177.601 177.584 -0.577 0.000 1.782 153 A CA -0.162 51.332 52.037 -0.905 0.000 1.451 153 A CB -0.686 17.669 19.000 -1.074 0.000 1.081 153 A HN 0.695 nan 8.150 nan 0.000 0.611 154 A N 1.271 123.803 122.820 -0.481 0.000 2.325 154 A HA 0.780 5.095 4.320 -0.008 0.000 0.333 154 A C -0.975 176.346 177.584 -0.438 0.000 1.155 154 A CA -0.438 51.374 52.037 -0.374 0.000 0.814 154 A CB 0.673 19.525 19.000 -0.248 0.000 1.206 154 A HN 0.604 nan 8.150 nan 0.000 0.482 155 Y N 0.317 120.562 120.300 -0.092 0.000 2.361 155 Y HA 0.531 5.077 4.550 -0.007 0.000 0.337 155 Y C 0.840 176.829 175.900 0.150 0.000 0.965 155 Y CA -0.517 57.601 58.100 0.030 0.000 1.091 155 Y CB 2.397 40.968 38.460 0.184 0.000 1.182 155 Y HN 0.826 nan 8.280 nan 0.000 0.450 156 G N 2.339 111.218 108.800 0.132 0.000 2.325 156 G HA2 0.442 4.398 3.960 -0.008 0.000 0.298 156 G HA3 0.442 4.398 3.960 -0.008 0.000 0.298 156 G C -1.730 173.184 174.900 0.025 0.000 1.134 156 G CA -0.247 44.968 45.100 0.193 0.000 0.876 156 G HN 0.518 nan 8.290 nan 0.000 0.452 157 Y N 1.204 121.747 120.300 0.404 0.000 2.350 157 Y HA 0.628 5.174 4.550 -0.008 0.000 0.338 157 Y C 0.771 176.983 175.900 0.520 0.000 0.961 157 Y CA 0.186 58.486 58.100 0.333 0.000 1.100 157 Y CB 2.615 41.290 38.460 0.357 0.000 1.179 157 Y HN 0.855 nan 8.280 nan 0.000 0.454 158 G N 2.413 111.539 108.800 0.543 0.000 2.753 158 G HA2 0.606 4.561 3.960 -0.008 0.000 0.303 158 G HA3 0.606 4.561 3.960 -0.008 0.000 0.303 158 G C -1.703 173.431 174.900 0.390 0.000 1.242 158 G CA -0.822 44.622 45.100 0.574 0.000 0.810 158 G HN 0.425 nan 8.290 nan 0.000 0.515 159 I N 0.473 121.170 120.570 0.212 0.000 2.441 159 I HA 0.444 4.609 4.170 -0.008 0.000 0.295 159 I C 0.177 176.192 176.117 -0.171 0.000 0.994 159 I CA -0.749 60.564 61.300 0.022 0.000 1.144 159 I CB 2.266 40.102 38.000 -0.272 0.000 1.314 159 I HN 0.364 nan 8.210 nan 0.000 0.445 160 R N 5.944 126.443 120.500 -0.001 0.000 2.408 160 R HA 0.264 4.599 4.340 -0.008 0.000 0.308 160 R C -1.338 175.009 176.300 0.079 0.000 1.210 160 R CA -0.434 55.701 56.100 0.058 0.000 1.115 160 R CB 0.040 30.348 30.300 0.015 0.000 1.127 160 R HN 0.396 nan 8.270 nan 0.000 0.523 161 Y N 1.678 122.140 120.300 0.271 0.000 2.425 161 Y HA -0.011 4.535 4.550 -0.008 0.000 0.331 161 Y C 1.401 177.489 175.900 0.313 0.000 1.157 161 Y CA -0.049 58.200 58.100 0.249 0.000 1.372 161 Y CB 0.902 39.484 38.460 0.203 0.000 1.253 161 Y HN 0.561 nan 8.280 nan 0.000 0.536 162 E N 1.750 122.142 120.200 0.321 0.000 2.152 162 E HA -0.053 4.293 4.350 -0.008 0.000 0.192 162 E C -0.728 175.790 176.600 -0.137 0.000 0.983 162 E CA 0.823 57.218 56.400 -0.008 0.000 0.818 162 E CB 0.132 29.687 29.700 -0.242 0.000 0.758 162 E HN 0.405 nan 8.360 nan 0.000 0.467 163 F N 0.017 120.196 119.950 0.382 0.000 2.460 163 F HA 0.394 4.916 4.527 -0.008 0.000 0.341 163 F C 0.811 176.700 175.800 0.148 0.000 1.130 163 F CA -0.975 57.201 58.000 0.294 0.000 0.962 163 F CB 1.762 40.864 39.000 0.171 0.000 1.171 163 F HN -0.172 nan 8.300 nan 0.000 0.436 164 G N 1.878 110.779 108.800 0.169 0.000 2.531 164 G HA2 0.352 4.308 3.960 -0.008 0.000 0.253 164 G HA3 0.352 4.308 3.960 -0.008 0.000 0.253 164 G C -0.496 174.362 174.900 -0.069 0.000 1.439 164 G CA -0.722 44.324 45.100 -0.091 0.000 1.056 164 G HN 0.561 nan 8.290 nan 0.000 0.555 165 I N 0.835 121.285 120.570 -0.200 0.000 2.775 165 I HA 0.186 4.351 4.170 -0.008 0.000 0.290 165 I C 0.556 176.580 176.117 -0.156 0.000 1.203 165 I CA -1.047 60.108 61.300 -0.242 0.000 1.433 165 I CB -0.290 37.467 38.000 -0.405 0.000 1.354 165 I HN 0.336 nan 8.210 nan 0.000 0.579 166 F N 6.459 126.420 119.950 0.018 0.000 2.589 166 F HA 0.267 4.790 4.527 -0.007 0.000 0.352 166 F C 0.450 176.302 175.800 0.086 0.000 1.168 166 F CA -0.569 57.465 58.000 0.057 0.000 1.353 166 F CB -0.283 38.737 39.000 0.033 0.000 1.116 166 F HN 0.434 nan 8.300 nan 0.000 0.608 167 N N 2.372 121.269 118.700 0.329 0.000 2.488 167 N HA 0.060 4.795 4.740 -0.008 0.000 0.274 167 N C -0.848 174.915 175.510 0.422 0.000 1.111 167 N CA -0.312 52.897 53.050 0.264 0.000 0.974 167 N CB 1.257 39.883 38.487 0.232 0.000 1.089 167 N HN 0.761 nan 8.380 nan 0.000 0.465 168 Q N 2.411 122.427 119.800 0.361 0.000 2.274 168 Q HA 0.193 4.528 4.340 -0.008 0.000 0.256 168 Q C -0.965 175.211 176.000 0.292 0.000 0.927 168 Q CA -0.307 55.743 55.803 0.411 0.000 0.939 168 Q CB 0.761 29.745 28.738 0.410 0.000 1.201 168 Q HN 0.254 nan 8.270 nan 0.000 0.426 169 K N 4.210 124.756 120.400 0.244 0.000 2.316 169 K HA 0.476 4.792 4.320 -0.008 0.000 0.251 169 K C -0.837 175.865 176.600 0.169 0.000 0.934 169 K CA -0.916 55.491 56.287 0.200 0.000 0.802 169 K CB 1.646 34.242 32.500 0.160 0.000 1.171 169 K HN 0.631 nan 8.250 nan 0.000 0.426 170 I N 2.567 123.231 120.570 0.157 0.000 2.330 170 I HA 0.227 4.392 4.170 -0.008 0.000 0.289 170 I C -0.282 175.897 176.117 0.104 0.000 1.001 170 I CA -0.651 60.710 61.300 0.102 0.000 1.193 170 I CB 0.774 38.815 38.000 0.069 0.000 1.345 170 I HN 0.434 nan 8.210 nan 0.000 0.461 171 C N 3.933 123.305 119.300 0.120 0.000 2.340 171 C HA 0.595 5.051 4.460 -0.008 0.000 0.323 171 C C 1.195 176.293 174.990 0.180 0.000 1.260 171 C CA -0.425 58.669 59.018 0.128 0.000 1.464 171 C CB 0.566 28.375 27.740 0.114 0.000 2.156 171 C HN 1.088 nan 8.230 nan 0.000 0.476 172 G N 2.431 111.311 108.800 0.133 0.000 2.258 172 G HA2 0.098 4.053 3.960 -0.008 0.000 0.274 172 G HA3 0.098 4.053 3.960 -0.008 0.000 0.274 172 G C 1.098 176.029 174.900 0.051 0.000 1.021 172 G CA 1.001 46.192 45.100 0.151 0.000 0.798 172 G HN 2.401 nan 8.290 nan 0.000 0.507 173 G N -2.983 105.791 108.800 -0.044 0.000 2.179 173 G HA2 -0.293 3.663 3.960 -0.008 0.000 0.260 173 G HA3 -0.293 3.663 3.960 -0.008 0.000 0.260 173 G C 0.342 175.013 174.900 -0.382 0.000 0.977 173 G CA 0.670 45.622 45.100 -0.246 0.000 0.641 173 G HN 1.181 nan 8.290 nan 0.000 0.533 174 W N 0.776 122.025 121.300 -0.084 0.000 2.512 174 W HA 0.661 5.316 4.660 -0.007 0.000 0.335 174 W C 0.622 177.087 176.519 -0.089 0.000 1.088 174 W CA -0.876 56.411 57.345 -0.096 0.000 1.236 174 W CB 0.855 30.274 29.460 -0.067 0.000 1.307 174 W HN 0.247 nan 8.180 nan 0.000 0.567 175 Q N 3.105 122.997 119.800 0.152 0.000 2.332 175 Q HA 0.267 4.603 4.340 -0.008 0.000 0.263 175 Q C -0.653 175.399 176.000 0.086 0.000 0.979 175 Q CA 0.142 56.001 55.803 0.094 0.000 0.885 175 Q CB 0.583 29.365 28.738 0.074 0.000 1.218 175 Q HN 0.318 nan 8.270 nan 0.000 0.405 176 M N 3.163 122.807 119.600 0.075 0.000 2.395 176 M HA 0.387 4.862 4.480 -0.008 0.000 0.307 176 M C -1.181 175.118 176.300 -0.001 0.000 1.091 176 M CA -0.684 54.629 55.300 0.021 0.000 0.919 176 M CB 1.789 34.420 32.600 0.051 0.000 1.662 176 M HN 0.610 nan 8.290 nan 0.000 0.440 177 E N 1.811 121.934 120.200 -0.129 0.000 2.214 177 E HA 0.566 4.911 4.350 -0.008 0.000 0.274 177 E C -0.674 175.908 176.600 -0.031 0.000 0.977 177 E CA -0.608 55.675 56.400 -0.194 0.000 0.827 177 E CB 1.712 31.019 29.700 -0.655 0.000 1.130 177 E HN 0.541 nan 8.360 nan 0.000 0.394 178 E N 0.609 120.872 120.200 0.105 0.000 2.343 178 E HA 0.649 4.995 4.350 -0.008 0.000 0.278 178 E C -1.195 175.497 176.600 0.153 0.000 0.910 178 E CA -1.399 55.058 56.400 0.095 0.000 0.757 178 E CB 1.325 31.089 29.700 0.108 0.000 1.218 178 E HN 0.503 nan 8.360 nan 0.000 0.435 179 A N 2.597 125.463 122.820 0.078 0.000 2.598 179 A HA -0.012 4.303 4.320 -0.008 0.000 0.239 179 A C 0.058 177.822 177.584 0.300 0.000 1.032 179 A CA 0.728 52.826 52.037 0.101 0.000 0.760 179 A CB -0.099 18.832 19.000 -0.115 0.000 0.946 179 A HN 0.674 nan 8.150 nan 0.000 0.512 180 D N 1.778 122.430 120.400 0.420 0.000 2.522 180 D HA 0.190 4.825 4.640 -0.008 0.000 0.218 180 D C -0.368 176.268 176.300 0.559 0.000 1.149 180 D CA -0.244 54.001 54.000 0.410 0.000 0.981 180 D CB 0.281 41.255 40.800 0.290 0.000 1.041 180 D HN 0.390 nan 8.370 nan 0.000 0.518 181 D N 3.507 124.201 120.400 0.491 0.000 2.801 181 D HA -0.041 4.595 4.640 -0.008 0.000 0.232 181 D C 1.258 177.702 176.300 0.241 0.000 1.128 181 D CA -0.507 53.686 54.000 0.321 0.000 1.003 181 D CB -0.232 40.757 40.800 0.316 0.000 1.110 181 D HN 0.546 nan 8.370 nan 0.000 0.477 182 W N 1.557 122.899 121.300 0.071 0.000 2.468 182 W HA -0.077 4.578 4.660 -0.008 0.000 0.262 182 W C 0.151 176.728 176.519 0.097 0.000 1.241 182 W CA 0.161 57.568 57.345 0.102 0.000 1.232 182 W CB -0.794 28.728 29.460 0.104 0.000 1.124 182 W HN 0.192 nan 8.180 nan 0.000 0.597 183 L N 0.803 121.680 121.223 -0.577 0.000 2.607 183 L HA 0.163 4.498 4.340 -0.008 0.000 0.228 183 L C 2.751 179.463 176.870 -0.263 0.000 1.123 183 L CA -0.047 54.421 54.840 -0.621 0.000 0.890 183 L CB -0.612 40.962 42.059 -0.807 0.000 1.103 183 L HN -0.105 nan 8.230 nan 0.000 0.468 184 R N 0.841 121.253 120.500 -0.148 0.000 2.136 184 R HA -0.257 4.078 4.340 -0.008 0.000 0.242 184 R C 1.487 177.634 176.300 -0.254 0.000 1.131 184 R CA 2.316 58.304 56.100 -0.188 0.000 0.937 184 R CB -0.341 29.863 30.300 -0.160 0.000 0.863 184 R HN 0.280 nan 8.270 nan 0.000 0.435 185 Y N -0.209 120.112 120.300 0.033 0.000 2.471 185 Y HA 0.279 4.824 4.550 -0.008 0.000 0.286 185 Y C 0.881 176.780 175.900 -0.001 0.000 1.188 185 Y CA 0.518 58.648 58.100 0.050 0.000 1.286 185 Y CB 0.614 39.217 38.460 0.238 0.000 1.072 185 Y HN 0.536 nan 8.280 nan 0.000 0.517 186 G N 1.201 110.044 108.800 0.072 0.000 2.699 186 G HA2 -0.219 3.737 3.960 -0.008 0.000 0.686 186 G HA3 -0.219 3.737 3.960 -0.008 0.000 0.686 186 G C -1.262 173.714 174.900 0.126 0.000 1.301 186 G CA -0.785 44.325 45.100 0.017 0.000 0.816 186 G HN 0.253 nan 8.290 nan 0.000 0.595 187 N N 1.142 119.861 118.700 0.033 0.000 2.573 187 N HA 0.543 5.278 4.740 -0.008 0.000 0.262 187 N C -0.649 174.856 175.510 -0.009 0.000 1.029 187 N CA -1.827 51.256 53.050 0.056 0.000 0.882 187 N CB 2.104 40.561 38.487 -0.050 0.000 1.204 187 N HN 0.264 nan 8.380 nan 0.000 0.519 188 P HA -0.013 nan 4.420 nan 0.000 0.226 188 P C 0.658 177.625 177.300 -0.555 0.000 1.153 188 P CA 0.767 63.539 63.100 -0.548 0.000 0.777 188 P CB 0.134 31.202 31.700 -1.053 0.000 0.794 189 W N 1.995 123.293 121.300 -0.004 0.000 2.476 189 W HA 0.031 4.687 4.660 -0.007 0.000 0.281 189 W C 1.374 177.924 176.519 0.052 0.000 1.230 189 W CA -0.292 57.050 57.345 -0.005 0.000 1.287 189 W CB -0.332 29.129 29.460 0.003 0.000 1.108 189 W HN 0.022 nan 8.180 nan 0.000 0.567 190 E N 1.679 122.049 120.200 0.282 0.000 2.318 190 E HA 0.325 4.671 4.350 -0.008 0.000 0.265 190 E C -0.618 176.147 176.600 0.275 0.000 1.069 190 E CA -0.716 55.864 56.400 0.299 0.000 0.893 190 E CB 1.281 31.177 29.700 0.327 0.000 1.076 190 E HN -0.334 nan 8.360 nan 0.000 0.414 191 K N 1.392 121.969 120.400 0.296 0.000 2.579 191 K HA 0.416 4.731 4.320 -0.008 0.000 0.250 191 K C -1.248 175.364 176.600 0.020 0.000 0.952 191 K CA -0.487 55.905 56.287 0.175 0.000 0.857 191 K CB 1.559 34.178 32.500 0.199 0.000 1.123 191 K HN 0.669 nan 8.250 nan 0.000 0.433 192 A N 4.017 126.751 122.820 -0.144 0.000 2.462 192 A HA 0.404 4.719 4.320 -0.008 0.000 0.243 192 A C -0.255 177.132 177.584 -0.328 0.000 1.076 192 A CA -0.154 51.542 52.037 -0.568 0.000 0.773 192 A CB 0.249 18.897 19.000 -0.586 0.000 1.010 192 A HN 0.654 nan 8.150 nan 0.000 0.493 193 R N 2.953 123.255 120.500 -0.330 0.000 2.835 193 R HA 0.199 4.535 4.340 -0.008 0.000 0.290 193 R C -2.326 173.854 176.300 -0.200 0.000 1.410 193 R CA -1.708 54.281 56.100 -0.185 0.000 1.590 193 R CB 0.604 30.963 30.300 0.098 0.000 1.288 193 R HN 0.595 nan 8.270 nan 0.000 0.637 194 P HA -0.211 nan 4.420 nan 0.000 0.218 194 P C 0.873 178.081 177.300 -0.154 0.000 1.146 194 P CA 1.231 64.249 63.100 -0.136 0.000 0.813 194 P CB 0.367 31.995 31.700 -0.121 0.000 0.778 195 E N 0.101 120.099 120.200 -0.336 0.000 2.409 195 E HA -0.139 4.206 4.350 -0.008 0.000 0.198 195 E C 0.911 177.282 176.600 -0.382 0.000 1.024 195 E CA 0.761 56.903 56.400 -0.431 0.000 0.861 195 E CB -1.009 28.292 29.700 -0.664 0.000 0.788 195 E HN 0.389 nan 8.360 nan 0.000 0.521 196 F N 1.697 121.660 119.950 0.023 0.000 2.684 196 F HA 0.231 4.753 4.527 -0.008 0.000 0.298 196 F C 0.515 176.408 175.800 0.155 0.000 1.120 196 F CA -0.692 57.352 58.000 0.073 0.000 1.332 196 F CB 0.623 39.660 39.000 0.062 0.000 0.986 196 F HN -0.279 nan 8.300 nan 0.000 0.524 197 T N 2.835 117.531 114.554 0.236 0.000 2.940 197 T HA 0.225 4.570 4.350 -0.008 0.000 0.309 197 T C -0.262 174.540 174.700 0.169 0.000 1.056 197 T CA 0.332 62.568 62.100 0.228 0.000 1.137 197 T CB 0.840 69.789 68.868 0.135 0.000 0.976 197 T HN -0.123 nan 8.240 nan 0.000 0.547 198 L N 5.276 126.562 121.223 0.106 0.000 2.370 198 L HA 0.568 4.903 4.340 -0.008 0.000 0.266 198 L C -2.213 174.601 176.870 -0.094 0.000 1.002 198 L CA -2.586 52.238 54.840 -0.027 0.000 0.818 198 L CB 1.993 43.961 42.059 -0.152 0.000 1.325 198 L HN 0.392 nan 8.230 nan 0.000 0.418 199 P HA 0.360 nan 4.420 nan 0.000 0.288 199 P C -1.206 175.940 177.300 -0.257 0.000 1.267 199 P CA -0.373 62.628 63.100 -0.166 0.000 0.815 199 P CB 1.938 33.540 31.700 -0.163 0.000 0.989 200 V N 3.993 123.740 119.914 -0.277 0.000 2.588 200 V HA 0.318 4.433 4.120 -0.008 0.000 0.304 200 V C 0.183 176.038 176.094 -0.398 0.000 1.042 200 V CA -0.615 61.512 62.300 -0.288 0.000 0.877 200 V CB 1.496 33.230 31.823 -0.149 0.000 0.996 200 V HN 0.614 nan 8.190 nan 0.000 0.425 201 H N 3.849 122.762 119.070 -0.260 0.000 2.479 201 H HA 0.641 5.192 4.556 -0.008 0.000 0.335 201 H C -1.274 173.751 175.328 -0.505 0.000 1.142 201 H CA -0.155 55.655 56.048 -0.397 0.000 1.234 201 H CB 1.932 31.209 29.762 -0.808 0.000 1.503 201 H HN 0.478 nan 8.280 nan 0.000 0.510 202 F N 0.022 120.005 119.950 0.054 0.000 2.613 202 F HA 0.197 4.719 4.527 -0.008 0.000 0.314 202 F C -0.239 175.653 175.800 0.154 0.000 1.075 202 F CA -0.576 57.459 58.000 0.058 0.000 0.945 202 F CB 1.036 39.978 39.000 -0.097 0.000 1.310 202 F HN 0.538 nan 8.300 nan 0.000 0.467 203 Y N 0.282 120.881 120.300 0.497 0.000 2.887 203 Y HA -0.029 4.517 4.550 -0.008 0.000 0.467 203 Y C 1.390 177.555 175.900 0.440 0.000 1.191 203 Y CA 0.762 59.080 58.100 0.362 0.000 2.539 203 Y CB -1.915 36.687 38.460 0.237 0.000 1.225 203 Y HN 1.314 nan 8.280 nan 0.000 0.630 204 G N 0.667 109.750 108.800 0.471 0.000 2.645 204 G HA2 0.097 4.052 3.960 -0.008 0.000 0.239 204 G HA3 0.097 4.052 3.960 -0.008 0.000 0.239 204 G C -0.520 174.605 174.900 0.376 0.000 1.331 204 G CA 0.875 46.174 45.100 0.331 0.000 0.890 204 G HN 1.334 nan 8.290 nan 0.000 0.572 205 R N -2.636 118.077 120.500 0.354 0.000 2.766 205 R HA 0.727 5.062 4.340 -0.008 0.000 0.270 205 R C -1.432 175.004 176.300 0.226 0.000 1.035 205 R CA -0.968 55.278 56.100 0.242 0.000 0.911 205 R CB 1.336 31.724 30.300 0.146 0.000 1.243 205 R HN 0.902 nan 8.270 nan 0.000 0.460 206 V N 0.900 120.857 119.914 0.072 0.000 2.398 206 V HA 0.353 4.468 4.120 -0.008 0.000 0.286 206 V C -0.263 175.746 176.094 -0.140 0.000 1.026 206 V CA -0.577 61.687 62.300 -0.059 0.000 0.868 206 V CB 1.343 33.058 31.823 -0.181 0.000 0.982 206 V HN 0.675 nan 8.190 nan 0.000 0.443 207 E N 3.048 123.152 120.200 -0.159 0.000 2.166 207 E HA 0.405 4.750 4.350 -0.008 0.000 0.275 207 E C -0.981 175.474 176.600 -0.241 0.000 0.941 207 E CA -0.694 55.630 56.400 -0.125 0.000 0.784 207 E CB 0.967 30.649 29.700 -0.030 0.000 1.115 207 E HN 0.657 nan 8.360 nan 0.000 0.399 208 H N 2.856 121.941 119.070 0.025 0.000 2.690 208 H HA 0.146 4.698 4.556 -0.008 0.000 0.280 208 H C 0.208 175.545 175.328 0.015 0.000 1.138 208 H CA -0.248 55.810 56.048 0.017 0.000 1.241 208 H CB 0.511 30.278 29.762 0.009 0.000 1.394 208 H HN 0.555 nan 8.280 nan 0.000 0.489 209 T N -1.206 113.405 114.554 0.095 0.000 2.852 209 T HA 0.117 4.462 4.350 -0.008 0.000 0.281 209 T C 1.770 176.509 174.700 0.065 0.000 0.993 209 T CA -0.205 61.934 62.100 0.065 0.000 0.933 209 T CB 1.515 70.406 68.868 0.039 0.000 1.187 209 T HN 0.374 nan 8.240 nan 0.000 0.559 210 S N -0.094 115.633 115.700 0.044 0.000 2.380 210 S HA -0.170 4.295 4.470 -0.008 0.000 0.217 210 S C 1.258 175.881 174.600 0.038 0.000 1.036 210 S CA 1.301 59.522 58.200 0.036 0.000 1.050 210 S CB -0.877 62.339 63.200 0.027 0.000 1.016 210 S HN 0.714 nan 8.310 nan 0.000 0.419 211 Q N 1.436 121.257 119.800 0.034 0.000 3.027 211 Q HA 0.533 4.868 4.340 -0.008 0.000 0.260 211 Q C 0.094 176.117 176.000 0.038 0.000 1.379 211 Q CA 0.649 56.472 55.803 0.034 0.000 1.038 211 Q CB -0.020 28.734 28.738 0.027 0.000 1.578 211 Q HN 0.744 nan 8.270 nan 0.000 0.571 212 G N 0.032 108.864 108.800 0.053 0.000 2.570 212 G HA2 0.175 4.130 3.960 -0.008 0.000 0.686 212 G HA3 0.175 4.130 3.960 -0.008 0.000 0.686 212 G C -1.056 173.883 174.900 0.064 0.000 1.257 212 G CA -0.721 44.414 45.100 0.059 0.000 0.846 212 G HN 0.582 nan 8.290 nan 0.000 0.627 213 A N 0.596 123.449 122.820 0.055 0.000 2.304 213 A HA 0.852 5.167 4.320 -0.008 0.000 0.301 213 A C 0.321 177.872 177.584 -0.053 0.000 1.132 213 A CA -0.182 51.834 52.037 -0.035 0.000 0.819 213 A CB 0.942 19.911 19.000 -0.052 0.000 1.094 213 A HN 0.784 nan 8.150 nan 0.000 0.492 214 K N 0.855 121.205 120.400 -0.083 0.000 2.378 214 K HA 0.251 4.567 4.320 -0.008 0.000 0.252 214 K C -1.746 174.889 176.600 0.059 0.000 0.931 214 K CA -0.406 55.876 56.287 -0.008 0.000 0.794 214 K CB 2.234 34.731 32.500 -0.005 0.000 1.181 214 K HN 0.708 nan 8.250 nan 0.000 0.425 215 W N 5.231 126.452 121.300 -0.133 0.000 2.308 215 W HA 0.345 5.000 4.660 -0.008 0.000 0.311 215 W C -0.711 175.744 176.519 -0.108 0.000 1.088 215 W CA -0.828 56.444 57.345 -0.122 0.000 1.309 215 W CB 0.167 29.545 29.460 -0.137 0.000 1.229 215 W HN 0.348 nan 8.180 nan 0.000 0.427 216 V N 2.706 122.690 119.914 0.117 0.000 3.158 216 V HA 0.605 4.721 4.120 -0.008 0.000 0.315 216 V C -0.128 175.952 176.094 -0.024 0.000 1.148 216 V CA -0.972 61.312 62.300 -0.027 0.000 1.042 216 V CB 1.869 33.700 31.823 0.013 0.000 1.101 216 V HN 0.452 nan 8.190 nan 0.000 0.448 217 D N 0.321 120.705 120.400 -0.027 0.000 2.708 217 D HA -0.140 4.496 4.640 -0.008 0.000 0.236 217 D C 0.526 176.838 176.300 0.021 0.000 1.146 217 D CA 1.504 55.512 54.000 0.013 0.000 0.662 217 D CB -1.628 39.201 40.800 0.048 0.000 1.059 217 D HN 1.300 nan 8.370 nan 0.000 0.428 218 T N -3.173 111.347 114.554 -0.057 0.000 2.902 218 T HA 0.415 4.760 4.350 -0.008 0.000 0.280 218 T C 0.226 174.996 174.700 0.117 0.000 0.992 218 T CA -0.876 61.206 62.100 -0.030 0.000 1.015 218 T CB 2.629 71.288 68.868 -0.348 0.000 1.044 218 T HN 0.170 nan 8.240 nan 0.000 0.520 219 Q N 1.193 121.133 119.800 0.233 0.000 2.278 219 Q HA 0.500 4.836 4.340 -0.008 0.000 0.257 219 Q C -1.376 174.771 176.000 0.244 0.000 0.928 219 Q CA -0.784 55.187 55.803 0.281 0.000 0.932 219 Q CB 1.145 30.134 28.738 0.419 0.000 1.221 219 Q HN 0.631 nan 8.270 nan 0.000 0.434 220 V N 4.529 124.538 119.914 0.160 0.000 2.439 220 V HA 0.405 4.521 4.120 -0.008 0.000 0.282 220 V C -0.303 175.842 176.094 0.085 0.000 1.039 220 V CA -0.580 61.726 62.300 0.010 0.000 0.913 220 V CB 1.618 33.390 31.823 -0.086 0.000 0.983 220 V HN 0.602 nan 8.190 nan 0.000 0.460 221 V N 6.052 126.023 119.914 0.095 0.000 2.588 221 V HA 0.467 4.583 4.120 -0.008 0.000 0.304 221 V C -0.180 175.981 176.094 0.113 0.000 1.042 221 V CA -0.607 61.761 62.300 0.113 0.000 0.877 221 V CB 1.937 33.912 31.823 0.254 0.000 0.996 221 V HN 0.640 nan 8.190 nan 0.000 0.425 222 L N 3.748 125.026 121.223 0.091 0.000 2.350 222 L HA 0.726 5.061 4.340 -0.008 0.000 0.275 222 L C 0.482 177.515 176.870 0.273 0.000 1.099 222 L CA -0.321 54.589 54.840 0.116 0.000 0.808 222 L CB 1.283 43.390 42.059 0.081 0.000 1.149 222 L HN 0.742 nan 8.230 nan 0.000 0.442 223 A N 5.199 128.137 122.820 0.196 0.000 2.267 223 A HA 0.575 4.890 4.320 -0.008 0.000 0.315 223 A C -0.449 177.397 177.584 0.437 0.000 1.297 223 A CA -0.471 51.717 52.037 0.251 0.000 0.865 223 A CB 0.883 19.575 19.000 -0.513 0.000 1.165 223 A HN 0.795 nan 8.150 nan 0.000 0.513 224 M N 6.287 126.210 119.600 0.537 0.000 2.129 224 M HA 0.439 4.914 4.480 -0.008 0.000 0.348 224 M C -2.571 174.018 176.300 0.480 0.000 1.116 224 M CA -2.130 53.436 55.300 0.443 0.000 1.022 224 M CB 2.021 34.807 32.600 0.310 0.000 1.599 224 M HN 0.381 nan 8.290 nan 0.000 0.449 225 P HA 0.245 nan 4.420 nan 0.000 0.286 225 P C -1.952 175.296 177.300 -0.087 0.000 1.261 225 P CA -0.118 62.917 63.100 -0.108 0.000 0.821 225 P CB 0.725 32.120 31.700 -0.508 0.000 1.013 226 Y N 0.558 120.797 120.300 -0.101 0.000 2.338 226 Y HA 0.306 4.851 4.550 -0.008 0.000 0.333 226 Y C 0.129 176.022 175.900 -0.012 0.000 0.968 226 Y CA -0.301 57.798 58.100 -0.000 0.000 1.123 226 Y CB 1.358 39.847 38.460 0.048 0.000 1.165 226 Y HN 0.214 nan 8.280 nan 0.000 0.452 227 D N 2.002 122.508 120.400 0.177 0.000 2.198 227 D HA 0.404 5.040 4.640 -0.008 0.000 0.245 227 D C -0.551 175.981 176.300 0.388 0.000 1.079 227 D CA -0.189 53.962 54.000 0.251 0.000 0.854 227 D CB 1.743 42.722 40.800 0.297 0.000 1.148 227 D HN 0.357 nan 8.370 nan 0.000 0.456 228 T N 3.262 117.945 114.554 0.215 0.000 2.824 228 T HA 0.460 4.805 4.350 -0.008 0.000 0.282 228 T C -2.521 172.021 174.700 -0.263 0.000 0.993 228 T CA -1.453 60.670 62.100 0.038 0.000 0.967 228 T CB 2.060 70.947 68.868 0.032 0.000 0.960 228 T HN 0.183 nan 8.240 nan 0.000 0.441 229 P HA 0.314 nan 4.420 nan 0.000 0.275 229 P C -1.026 175.948 177.300 -0.543 0.000 1.227 229 P CA -0.394 62.040 63.100 -1.109 0.000 0.781 229 P CB 0.906 31.692 31.700 -1.523 0.000 0.906 230 V N 5.206 124.865 119.914 -0.424 0.000 2.305 230 V HA 0.258 4.373 4.120 -0.008 0.000 0.275 230 V C -1.998 173.967 176.094 -0.214 0.000 1.020 230 V CA -1.927 60.217 62.300 -0.261 0.000 0.811 230 V CB 1.352 33.069 31.823 -0.176 0.000 1.031 230 V HN 0.554 nan 8.190 nan 0.000 0.439 231 P HA 0.261 nan 4.420 nan 0.000 0.280 231 P C 0.346 177.598 177.300 -0.080 0.000 1.244 231 P CA 0.324 63.339 63.100 -0.142 0.000 0.784 231 P CB 1.778 33.391 31.700 -0.146 0.000 0.913 232 G N 2.259 111.030 108.800 -0.048 0.000 2.599 232 G HA2 0.145 4.100 3.960 -0.008 0.000 0.264 232 G HA3 0.145 4.100 3.960 -0.008 0.000 0.264 232 G C -1.191 173.726 174.900 0.027 0.000 1.200 232 G CA -0.634 44.466 45.100 0.001 0.000 0.896 232 G HN 0.531 nan 8.290 nan 0.000 0.536 233 Y N 0.962 121.226 120.300 -0.060 0.000 2.584 233 Y HA 0.241 4.786 4.550 -0.008 0.000 0.351 233 Y C 1.355 177.219 175.900 -0.060 0.000 1.030 233 Y CA -0.248 57.811 58.100 -0.067 0.000 1.332 233 Y CB -0.048 38.370 38.460 -0.069 0.000 1.148 233 Y HN 0.705 nan 8.280 nan 0.000 0.528 234 R N 3.289 123.481 120.500 -0.513 0.000 3.484 234 R HA -0.327 4.009 4.340 -0.008 0.000 0.260 234 R C -0.022 176.134 176.300 -0.241 0.000 1.053 234 R CA 1.338 57.162 56.100 -0.459 0.000 0.703 234 R CB -2.134 27.718 30.300 -0.746 0.000 1.089 234 R HN 0.949 nan 8.270 nan 0.000 0.459 235 N N -0.771 117.844 118.700 -0.141 0.000 2.170 235 N HA 0.045 4.781 4.740 -0.008 0.000 0.222 235 N C -0.130 175.337 175.510 -0.072 0.000 1.218 235 N CA -0.552 52.449 53.050 -0.082 0.000 0.889 235 N CB 0.509 38.975 38.487 -0.035 0.000 1.083 235 N HN 0.086 nan 8.380 nan 0.000 0.520 236 N N -0.159 118.493 118.700 -0.081 0.000 2.753 236 N HA -0.134 4.601 4.740 -0.008 0.000 0.251 236 N C -0.976 174.498 175.510 -0.059 0.000 1.097 236 N CA 0.594 53.605 53.050 -0.065 0.000 0.786 236 N CB -1.252 37.197 38.487 -0.064 0.000 1.137 236 N HN 0.200 nan 8.380 nan 0.000 0.566 237 V N 1.151 121.035 119.914 -0.050 0.000 2.439 237 V HA 0.463 4.579 4.120 -0.008 0.000 0.282 237 V C 0.505 176.576 176.094 -0.039 0.000 1.039 237 V CA -0.517 61.762 62.300 -0.035 0.000 0.913 237 V CB 2.190 34.018 31.823 0.008 0.000 0.983 237 V HN -0.043 nan 8.190 nan 0.000 0.460 238 V N 5.491 125.385 119.914 -0.032 0.000 2.419 238 V HA 0.440 4.556 4.120 -0.008 0.000 0.287 238 V C -0.085 176.002 176.094 -0.013 0.000 1.017 238 V CA -0.847 61.408 62.300 -0.075 0.000 0.844 238 V CB 1.470 33.230 31.823 -0.104 0.000 1.011 238 V HN 0.838 nan 8.190 nan 0.000 0.429 239 N N 1.968 120.635 118.700 -0.055 0.000 2.418 239 N HA 0.570 5.305 4.740 -0.008 0.000 0.283 239 N C -0.037 175.465 175.510 -0.013 0.000 1.267 239 N CA -0.282 52.757 53.050 -0.018 0.000 0.975 239 N CB 1.180 39.616 38.487 -0.085 0.000 1.167 239 N HN 0.582 nan 8.380 nan 0.000 0.581 240 T N 0.705 115.261 114.554 0.005 0.000 2.863 240 T HA 0.438 4.783 4.350 -0.008 0.000 0.285 240 T C -0.347 174.330 174.700 -0.039 0.000 1.009 240 T CA -0.524 61.647 62.100 0.117 0.000 0.989 240 T CB 1.216 70.283 68.868 0.332 0.000 1.004 240 T HN 0.327 nan 8.240 nan 0.000 0.455 241 M N 3.613 123.156 119.600 -0.094 0.000 2.072 241 M HA 0.521 4.996 4.480 -0.008 0.000 0.331 241 M C -0.603 175.555 176.300 -0.236 0.000 1.004 241 M CA -0.754 54.396 55.300 -0.251 0.000 0.952 241 M CB 0.834 33.234 32.600 -0.333 0.000 1.511 241 M HN 0.493 nan 8.290 nan 0.000 0.422 242 R N 4.851 125.104 120.500 -0.413 0.000 2.265 242 R HA 0.535 4.871 4.340 -0.008 0.000 0.328 242 R C -1.968 174.062 176.300 -0.450 0.000 0.969 242 R CA -0.583 55.232 56.100 -0.475 0.000 0.832 242 R CB 0.861 30.704 30.300 -0.762 0.000 1.139 242 R HN 0.650 nan 8.270 nan 0.000 0.457 243 L N 5.652 126.717 121.223 -0.264 0.000 2.296 243 L HA 0.451 4.786 4.340 -0.008 0.000 0.286 243 L C -0.953 175.879 176.870 -0.062 0.000 1.023 243 L CA -0.495 54.284 54.840 -0.101 0.000 0.812 243 L CB 1.037 43.118 42.059 0.037 0.000 1.223 243 L HN 0.615 nan 8.230 nan 0.000 0.421 244 W N 2.357 123.773 121.300 0.193 0.000 2.316 244 W HA 0.576 5.231 4.660 -0.008 0.000 0.321 244 W C 0.597 177.331 176.519 0.358 0.000 1.203 244 W CA -0.230 57.242 57.345 0.212 0.000 1.214 244 W CB 1.331 30.749 29.460 -0.070 0.000 1.169 244 W HN 0.446 nan 8.180 nan 0.000 0.561 245 S N 1.810 117.919 115.700 0.683 0.000 2.500 245 S HA 0.770 5.235 4.470 -0.008 0.000 0.301 245 S C -0.493 174.458 174.600 0.585 0.000 1.092 245 S CA -0.737 57.769 58.200 0.510 0.000 1.030 245 S CB 0.654 64.081 63.200 0.378 0.000 1.031 245 S HN 0.540 nan 8.310 nan 0.000 0.483 246 A N 4.764 127.763 122.820 0.297 0.000 2.366 246 A HA 0.661 4.976 4.320 -0.008 0.000 0.272 246 A C -0.106 177.531 177.584 0.087 0.000 1.135 246 A CA -0.256 51.835 52.037 0.090 0.000 0.804 246 A CB 0.353 19.127 19.000 -0.376 0.000 1.064 246 A HN 0.653 nan 8.150 nan 0.000 0.499 247 K N 1.022 121.478 120.400 0.094 0.000 2.468 247 K HA 0.611 4.927 4.320 -0.008 0.000 0.252 247 K C -0.615 175.946 176.600 -0.065 0.000 0.932 247 K CA -0.403 55.903 56.287 0.031 0.000 0.794 247 K CB 2.251 34.805 32.500 0.091 0.000 1.241 247 K HN 0.843 nan 8.250 nan 0.000 0.428 248 A N 4.267 126.982 122.820 -0.174 0.000 2.340 248 A HA 0.525 4.840 4.320 -0.008 0.000 0.268 248 A C -2.161 175.335 177.584 -0.147 0.000 1.100 248 A CA -1.180 50.639 52.037 -0.363 0.000 0.803 248 A CB -0.114 18.468 19.000 -0.696 0.000 1.043 248 A HN 0.364 nan 8.150 nan 0.000 0.488 249 P HA 0.090 nan 4.420 nan 0.000 0.272 249 P C -0.046 177.321 177.300 0.113 0.000 1.230 249 P CA -0.377 62.754 63.100 0.052 0.000 0.788 249 P CB 0.618 32.377 31.700 0.098 0.000 0.949 250 N N 0.848 119.607 118.700 0.099 0.000 2.459 250 N HA -0.098 4.638 4.740 -0.008 0.000 0.181 250 N C 0.794 176.387 175.510 0.139 0.000 1.046 250 N CA 0.956 54.073 53.050 0.112 0.000 0.904 250 N CB -0.329 38.206 38.487 0.080 0.000 0.964 250 N HN 0.592 nan 8.380 nan 0.000 0.444 251 D N -0.563 119.923 120.400 0.142 0.000 2.587 251 D HA -0.059 4.576 4.640 -0.008 0.000 0.233 251 D C -0.289 176.098 176.300 0.146 0.000 1.213 251 D CA -0.650 53.422 54.000 0.120 0.000 0.827 251 D CB -0.894 39.957 40.800 0.086 0.000 1.006 251 D HN -0.059 nan 8.370 nan 0.000 0.490 252 F N 2.096 122.063 119.950 0.028 0.000 2.467 252 F HA 0.214 4.736 4.527 -0.008 0.000 0.362 252 F C 0.923 176.731 175.800 0.013 0.000 1.090 252 F CA -0.281 57.732 58.000 0.022 0.000 1.202 252 F CB 0.374 39.387 39.000 0.020 0.000 1.113 252 F HN -0.115 nan 8.300 nan 0.000 0.541 253 N N 2.816 121.118 118.700 -0.664 0.000 2.857 253 N HA -0.275 4.461 4.740 -0.008 0.000 0.242 253 N C -0.695 174.713 175.510 -0.170 0.000 0.983 253 N CA 1.562 54.334 53.050 -0.462 0.000 0.934 253 N CB -1.336 36.898 38.487 -0.422 0.000 1.115 253 N HN 0.530 nan 8.380 nan 0.000 0.593 262 Y N 1.943 122.241 120.300 -0.004 0.000 2.097 262 Y HA -0.029 4.516 4.550 -0.008 0.000 0.282 262 Y C 2.713 178.618 175.900 0.008 0.000 1.152 262 Y CA 2.226 60.327 58.100 0.001 0.000 1.136 262 Y CB -0.173 38.289 38.460 0.004 0.000 0.975 262 Y HN 0.191 nan 8.280 nan 0.000 0.498 263 I N 0.565 121.044 120.570 -0.151 0.000 2.163 263 I HA -0.326 3.840 4.170 -0.008 0.000 0.243 263 I C 2.422 178.423 176.117 -0.194 0.000 1.085 263 I CA 1.557 62.723 61.300 -0.224 0.000 1.347 263 I CB -1.435 36.549 38.000 -0.027 0.000 1.044 263 I HN 0.384 nan 8.210 nan 0.000 0.408 264 Q N 0.489 120.227 119.800 -0.104 0.000 2.096 264 Q HA -0.151 4.185 4.340 -0.008 0.000 0.204 264 Q C 2.386 178.332 176.000 -0.090 0.000 0.982 264 Q CA 1.981 57.740 55.803 -0.073 0.000 0.850 264 Q CB -0.362 28.351 28.738 -0.042 0.000 0.901 264 Q HN 0.555 nan 8.270 nan 0.000 0.422 265 A N -0.003 122.743 122.820 -0.123 0.000 1.908 265 A HA -0.156 4.160 4.320 -0.008 0.000 0.218 265 A C 2.410 179.941 177.584 -0.089 0.000 1.181 265 A CA 1.794 53.761 52.037 -0.118 0.000 0.627 265 A CB -0.741 18.191 19.000 -0.114 0.000 0.818 265 A HN 0.236 nan 8.150 nan 0.000 0.445 266 V N 0.162 119.957 119.914 -0.198 0.000 2.343 266 V HA -0.238 3.878 4.120 -0.008 0.000 0.247 266 V C 2.529 178.598 176.094 -0.042 0.000 1.051 266 V CA 1.877 64.091 62.300 -0.142 0.000 1.036 266 V CB -0.738 30.904 31.823 -0.302 0.000 0.654 266 V HN 0.569 nan 8.190 nan 0.000 0.451 267 L N -0.251 120.938 121.223 -0.058 0.000 2.141 267 L HA -0.136 4.199 4.340 -0.008 0.000 0.209 267 L C 2.024 178.915 176.870 0.035 0.000 1.094 267 L CA 1.227 56.060 54.840 -0.012 0.000 0.763 267 L CB -0.683 41.362 42.059 -0.023 0.000 0.908 267 L HN 0.338 nan 8.230 nan 0.000 0.437 268 D N 0.024 120.458 120.400 0.056 0.000 2.371 268 D HA -0.073 4.563 4.640 -0.008 0.000 0.221 268 D C 2.122 178.595 176.300 0.288 0.000 0.986 268 D CA 0.409 54.483 54.000 0.122 0.000 0.899 268 D CB -0.007 40.834 40.800 0.068 0.000 0.902 268 D HN 0.251 nan 8.370 nan 0.000 0.530 269 R N 0.587 121.249 120.500 0.270 0.000 2.127 269 R HA -0.074 4.261 4.340 -0.008 0.000 0.238 269 R C 1.582 177.888 176.300 0.009 0.000 1.134 269 R CA 0.707 56.924 56.100 0.195 0.000 0.975 269 R CB -0.129 30.222 30.300 0.086 0.000 0.865 269 R HN 0.167 nan 8.270 nan 0.000 0.447 270 N N 0.622 119.351 118.700 0.048 0.000 2.430 270 N HA -0.139 4.596 4.740 -0.008 0.000 0.186 270 N C 1.457 176.978 175.510 0.017 0.000 1.032 270 N CA 0.906 53.968 53.050 0.020 0.000 0.893 270 N CB -0.036 38.472 38.487 0.034 0.000 0.957 270 N HN 0.104 nan 8.380 nan 0.000 0.442 271 L N 0.997 122.258 121.223 0.063 0.000 2.046 271 L HA -0.065 4.270 4.340 -0.008 0.000 0.208 271 L C 2.382 179.247 176.870 -0.008 0.000 1.077 271 L CA 1.285 56.163 54.840 0.064 0.000 0.747 271 L CB -1.075 41.075 42.059 0.151 0.000 0.896 271 L HN 0.096 nan 8.230 nan 0.000 0.432 272 A N -0.931 121.829 122.820 -0.098 0.000 1.929 272 A HA -0.126 4.189 4.320 -0.008 0.000 0.216 272 A C 2.087 179.551 177.584 -0.199 0.000 1.176 272 A CA 1.057 52.966 52.037 -0.214 0.000 0.628 272 A CB -0.386 18.317 19.000 -0.494 0.000 0.816 272 A HN 0.509 nan 8.150 nan 0.000 0.444 273 E N 0.231 120.337 120.200 -0.156 0.000 2.482 273 E HA -0.076 4.270 4.350 -0.008 0.000 0.196 273 E C 0.857 177.421 176.600 -0.060 0.000 1.047 273 E CA 0.205 56.542 56.400 -0.104 0.000 0.869 273 E CB -0.158 29.506 29.700 -0.059 0.000 0.836 273 E HN 0.447 nan 8.360 nan 0.000 0.520 274 N N 1.057 119.730 118.700 -0.046 0.000 2.453 274 N HA -0.057 4.679 4.740 -0.008 0.000 0.183 274 N C 1.622 177.130 175.510 -0.003 0.000 1.041 274 N CA 0.518 53.571 53.050 0.004 0.000 0.900 274 N CB -0.008 38.488 38.487 0.014 0.000 0.961 274 N HN 0.266 nan 8.380 nan 0.000 0.443 275 I N 0.369 120.874 120.570 -0.108 0.000 2.264 275 I HA -0.245 3.920 4.170 -0.008 0.000 0.248 275 I C 1.364 177.448 176.117 -0.054 0.000 1.111 275 I CA 1.245 62.450 61.300 -0.158 0.000 1.382 275 I CB -0.159 37.566 38.000 -0.458 0.000 1.060 275 I HN 0.128 nan 8.210 nan 0.000 0.418 276 S N -0.662 115.008 115.700 -0.051 0.000 2.574 276 S HA 0.198 4.664 4.470 -0.008 0.000 0.242 276 S C 1.434 176.176 174.600 0.238 0.000 0.982 276 S CA -0.586 57.677 58.200 0.104 0.000 0.977 276 S CB 0.306 63.551 63.200 0.075 0.000 0.814 276 S HN 0.196 nan 8.310 nan 0.000 0.464 277 R N 1.323 121.962 120.500 0.231 0.000 2.062 277 R HA 0.268 4.603 4.340 -0.008 0.000 0.229 277 R C 0.459 177.020 176.300 0.434 0.000 1.128 277 R CA 1.234 57.515 56.100 0.301 0.000 0.960 277 R CB -0.250 30.190 30.300 0.234 0.000 0.855 277 R HN 0.408 nan 8.270 nan 0.000 0.432 278 V N 0.142 120.264 119.914 0.346 0.000 3.012 278 V HA 0.380 4.495 4.120 -0.008 0.000 0.307 278 V C -1.610 174.447 176.094 -0.062 0.000 1.166 278 V CA -1.389 61.038 62.300 0.213 0.000 0.974 278 V CB 1.803 33.675 31.823 0.083 0.000 1.040 278 V HN 0.152 nan 8.190 nan 0.000 0.428 279 L N 6.166 127.125 121.223 -0.439 0.000 2.367 279 L HA 0.499 4.835 4.340 -0.008 0.000 0.275 279 L C -0.910 175.792 176.870 -0.280 0.000 1.129 279 L CA 0.380 54.740 54.840 -0.800 0.000 0.839 279 L CB 0.631 42.149 42.059 -0.902 0.000 1.133 279 L HN 0.687 nan 8.230 nan 0.000 0.453 280 Y N 6.720 126.924 120.300 -0.161 0.000 2.496 280 Y HA 0.211 4.756 4.550 -0.008 0.000 0.334 280 Y C -1.381 174.507 175.900 -0.020 0.000 1.080 280 Y CA -1.306 56.778 58.100 -0.026 0.000 1.355 280 Y CB 0.421 38.895 38.460 0.023 0.000 1.193 280 Y HN 0.565 nan 8.280 nan 0.000 0.523 281 P HA -0.013 nan 4.420 nan 0.000 0.253 281 P C -0.831 176.591 177.300 0.202 0.000 1.508 281 P CA 0.219 63.413 63.100 0.157 0.000 0.883 281 P CB 0.099 31.980 31.700 0.303 0.000 1.519 282 N N 1.351 120.185 118.700 0.223 0.000 2.426 282 N HA 0.165 4.901 4.740 -0.008 0.000 0.275 282 N C -0.713 174.949 175.510 0.254 0.000 1.019 282 N CA 0.066 53.273 53.050 0.262 0.000 0.941 282 N CB 1.190 39.878 38.487 0.334 0.000 1.123 282 N HN 0.078 nan 8.380 nan 0.000 0.486 283 D N 1.120 121.703 120.400 0.305 0.000 2.349 283 D HA 0.219 4.855 4.640 -0.008 0.000 0.232 283 D C -0.272 176.337 176.300 0.514 0.000 1.071 283 D CA -0.318 53.896 54.000 0.356 0.000 0.832 283 D CB 0.267 41.285 40.800 0.363 0.000 1.086 283 D HN 0.293 nan 8.370 nan 0.000 0.504 284 N N 2.990 121.901 118.700 0.353 0.000 2.725 284 N HA -0.253 4.482 4.740 -0.008 0.000 0.251 284 N C -1.372 174.375 175.510 0.395 0.000 1.031 284 N CA 0.742 53.962 53.050 0.284 0.000 0.720 284 N CB -0.884 37.681 38.487 0.130 0.000 0.930 284 N HN 0.391 nan 8.380 nan 0.000 0.543 285 F N 0.669 120.733 119.950 0.190 0.000 2.630 285 F HA 0.393 4.916 4.527 -0.008 0.000 0.325 285 F C -1.083 174.801 175.800 0.139 0.000 1.184 285 F CA -1.087 56.996 58.000 0.139 0.000 1.011 285 F CB 0.828 39.879 39.000 0.084 0.000 1.268 285 F HN -0.007 nan 8.300 nan 0.000 0.480 286 F N 6.003 125.562 119.950 -0.652 0.000 2.420 286 F HA 0.457 4.979 4.527 -0.008 0.000 0.352 286 F C -0.288 175.127 175.800 -0.642 0.000 1.108 286 F CA -0.013 57.664 58.000 -0.538 0.000 1.162 286 F CB 0.640 39.355 39.000 -0.476 0.000 1.118 286 F HN 0.524 nan 8.300 nan 0.000 0.510 287 E N 4.047 123.612 120.200 -1.058 0.000 2.182 287 E HA 0.243 4.589 4.350 -0.008 0.000 0.258 287 E C -0.160 175.687 176.600 -1.254 0.000 0.879 287 E CA -0.682 55.195 56.400 -0.871 0.000 0.754 287 E CB 1.457 31.018 29.700 -0.230 0.000 1.162 287 E HN 0.931 nan 8.360 nan 0.000 0.419 288 G N 4.823 112.812 108.800 -1.352 0.000 3.197 288 G HA2 0.004 3.960 3.960 -0.008 0.000 0.257 288 G HA3 0.004 3.960 3.960 -0.008 0.000 0.257 288 G C 0.097 174.938 174.900 -0.098 0.000 0.835 288 G CA -0.115 44.429 45.100 -0.927 0.000 2.001 288 G HN 0.150 nan 8.290 nan 0.000 0.625 289 K N 0.445 120.848 120.400 0.005 0.000 2.130 289 K HA 0.190 4.506 4.320 -0.008 0.000 0.268 289 K C 0.975 177.730 176.600 0.259 0.000 0.983 289 K CA -0.685 55.691 56.287 0.149 0.000 0.893 289 K CB 2.195 34.776 32.500 0.135 0.000 1.066 289 K HN 0.425 nan 8.250 nan 0.000 0.450 290 E N 1.590 121.904 120.200 0.190 0.000 2.085 290 E HA -0.211 4.134 4.350 -0.008 0.000 0.194 290 E C 1.527 178.168 176.600 0.069 0.000 0.994 290 E CA 0.989 57.453 56.400 0.107 0.000 0.801 290 E CB 0.148 29.912 29.700 0.107 0.000 0.743 290 E HN 0.399 nan 8.360 nan 0.000 0.453 291 L N 1.405 122.711 121.223 0.138 0.000 2.079 291 L HA -0.194 4.141 4.340 -0.008 0.000 0.210 291 L C 2.457 179.434 176.870 0.179 0.000 1.081 291 L CA 1.883 56.824 54.840 0.167 0.000 0.752 291 L CB -0.575 41.654 42.059 0.284 0.000 0.896 291 L HN 0.023 nan 8.230 nan 0.000 0.433 292 R N -0.599 119.955 120.500 0.089 0.000 2.075 292 R HA -0.159 4.177 4.340 -0.008 0.000 0.232 292 R C 2.132 178.481 176.300 0.081 0.000 1.126 292 R CA 1.898 57.970 56.100 -0.047 0.000 0.963 292 R CB -1.062 29.017 30.300 -0.368 0.000 0.858 292 R HN 0.412 nan 8.270 nan 0.000 0.435 293 L N 0.931 122.116 121.223 -0.064 0.000 2.083 293 L HA -0.083 4.252 4.340 -0.008 0.000 0.209 293 L C 1.703 178.524 176.870 -0.083 0.000 1.083 293 L CA 1.908 56.498 54.840 -0.416 0.000 0.752 293 L CB -0.408 41.102 42.059 -0.915 0.000 0.899 293 L HN 0.165 nan 8.230 nan 0.000 0.433 294 K N -0.993 119.413 120.400 0.009 0.000 2.097 294 K HA -0.186 4.129 4.320 -0.008 0.000 0.206 294 K C 2.074 178.848 176.600 0.289 0.000 1.049 294 K CA 1.751 58.124 56.287 0.143 0.000 0.933 294 K CB -0.165 32.246 32.500 -0.147 0.000 0.717 294 K HN 0.526 nan 8.250 nan 0.000 0.442 295 Q N 0.607 120.542 119.800 0.225 0.000 2.084 295 Q HA -0.185 4.150 4.340 -0.008 0.000 0.202 295 Q C 1.940 178.142 176.000 0.337 0.000 0.978 295 Q CA 1.389 57.380 55.803 0.313 0.000 0.844 295 Q CB -0.038 28.907 28.738 0.345 0.000 0.898 295 Q HN 0.385 nan 8.270 nan 0.000 0.426 296 E N -0.092 120.259 120.200 0.251 0.000 2.077 296 E HA -0.215 4.130 4.350 -0.008 0.000 0.193 296 E C 1.737 178.446 176.600 0.183 0.000 0.989 296 E CA 1.096 57.624 56.400 0.214 0.000 0.800 296 E CB -0.129 29.675 29.700 0.174 0.000 0.746 296 E HN 0.320 nan 8.360 nan 0.000 0.452 297 Y N 0.282 120.626 120.300 0.073 0.000 2.263 297 Y HA -0.187 4.358 4.550 -0.008 0.000 0.292 297 Y C 1.948 177.871 175.900 0.039 0.000 1.130 297 Y CA 0.944 59.033 58.100 -0.018 0.000 1.179 297 Y CB -0.360 38.043 38.460 -0.096 0.000 0.998 297 Y HN 0.016 nan 8.280 nan 0.000 0.532 298 F N -0.255 119.673 119.950 -0.037 0.000 2.065 298 F HA -0.252 4.271 4.527 -0.008 0.000 0.298 298 F C 2.482 178.131 175.800 -0.252 0.000 1.112 298 F CA 2.048 59.985 58.000 -0.104 0.000 1.212 298 F CB -1.104 37.993 39.000 0.162 0.000 0.975 298 F HN -0.059 nan 8.300 nan 0.000 0.476 299 V N -0.461 119.410 119.914 -0.072 0.000 2.358 299 V HA -0.203 3.912 4.120 -0.008 0.000 0.246 299 V C 2.215 178.154 176.094 -0.258 0.000 1.047 299 V CA 1.948 64.167 62.300 -0.136 0.000 1.035 299 V CB -0.405 31.536 31.823 0.197 0.000 0.658 299 V HN 0.266 nan 8.190 nan 0.000 0.452 300 V N 0.414 120.185 119.914 -0.237 0.000 2.307 300 V HA -0.184 3.932 4.120 -0.008 0.000 0.245 300 V C 2.810 178.639 176.094 -0.441 0.000 1.045 300 V CA 2.162 64.305 62.300 -0.261 0.000 1.024 300 V CB -1.067 30.661 31.823 -0.158 0.000 0.651 300 V HN 0.650 nan 8.190 nan 0.000 0.449 301 A N -0.173 122.209 122.820 -0.730 0.000 1.877 301 A HA -0.117 4.199 4.320 -0.008 0.000 0.216 301 A C 2.404 179.610 177.584 -0.629 0.000 1.186 301 A CA 2.164 53.766 52.037 -0.725 0.000 0.620 301 A CB -0.843 17.502 19.000 -1.092 0.000 0.822 301 A HN 0.569 nan 8.150 nan 0.000 0.443 302 A N -1.075 121.211 122.820 -0.890 0.000 1.898 302 A HA -0.063 4.252 4.320 -0.008 0.000 0.216 302 A C 2.315 179.385 177.584 -0.855 0.000 1.181 302 A CA 2.280 53.604 52.037 -1.188 0.000 0.620 302 A CB -1.301 16.333 19.000 -2.276 0.000 0.819 302 A HN 0.431 nan 8.150 nan 0.000 0.442 303 T N 0.541 114.728 114.554 -0.612 0.000 2.684 303 T HA -0.114 4.231 4.350 -0.008 0.000 0.267 303 T C 1.817 176.239 174.700 -0.464 0.000 1.036 303 T CA 1.516 63.370 62.100 -0.409 0.000 1.148 303 T CB -0.409 68.219 68.868 -0.400 0.000 0.863 303 T HN 0.343 nan 8.240 nan 0.000 0.436 304 L N 0.662 121.664 121.223 -0.369 0.000 2.131 304 L HA -0.157 4.179 4.340 -0.008 0.000 0.210 304 L C 2.901 179.652 176.870 -0.198 0.000 1.092 304 L CA 1.350 56.029 54.840 -0.269 0.000 0.759 304 L CB -0.498 41.445 42.059 -0.193 0.000 0.903 304 L HN 0.358 nan 8.230 nan 0.000 0.435 305 Q N -0.632 119.046 119.800 -0.203 0.000 2.119 305 Q HA -0.234 4.102 4.340 -0.008 0.000 0.201 305 Q C 1.759 177.718 176.000 -0.068 0.000 0.972 305 Q CA 1.596 57.330 55.803 -0.115 0.000 0.847 305 Q CB -0.070 28.587 28.738 -0.134 0.000 0.903 305 Q HN 0.384 nan 8.270 nan 0.000 0.433 306 D N 0.563 120.911 120.400 -0.086 0.000 2.117 306 D HA -0.101 4.535 4.640 -0.008 0.000 0.198 306 D C 1.668 177.906 176.300 -0.103 0.000 0.982 306 D CA 0.860 54.856 54.000 -0.006 0.000 0.828 306 D CB -0.013 40.888 40.800 0.168 0.000 0.967 306 D HN 0.156 nan 8.370 nan 0.000 0.464 307 I N 0.228 120.630 120.570 -0.280 0.000 2.142 307 I HA -0.248 3.917 4.170 -0.008 0.000 0.240 307 I C 2.346 178.473 176.117 0.017 0.000 1.078 307 I CA 0.787 61.870 61.300 -0.362 0.000 1.343 307 I CB -0.162 37.476 38.000 -0.604 0.000 1.046 307 I HN 0.049 nan 8.210 nan 0.000 0.405 308 I N 0.290 120.926 120.570 0.110 0.000 2.286 308 I HA -0.305 3.860 4.170 -0.008 0.000 0.248 308 I C 2.793 179.076 176.117 0.278 0.000 1.115 308 I CA 1.172 62.659 61.300 0.311 0.000 1.392 308 I CB -0.466 37.662 38.000 0.213 0.000 1.065 308 I HN 0.248 nan 8.210 nan 0.000 0.418 309 R N 1.416 121.999 120.500 0.138 0.000 2.080 309 R HA -0.230 4.105 4.340 -0.008 0.000 0.236 309 R C 2.491 178.851 176.300 0.100 0.000 1.137 309 R CA 1.829 57.989 56.100 0.101 0.000 0.943 309 R CB -0.314 30.019 30.300 0.055 0.000 0.846 309 R HN 0.205 nan 8.270 nan 0.000 0.431 310 R N -0.594 119.963 120.500 0.094 0.000 2.096 310 R HA -0.170 4.165 4.340 -0.008 0.000 0.235 310 R C 2.169 178.563 176.300 0.157 0.000 1.127 310 R CA 1.694 57.854 56.100 0.101 0.000 0.968 310 R CB -0.382 29.967 30.300 0.082 0.000 0.861 310 R HN 0.310 nan 8.270 nan 0.000 0.440 311 F N 1.469 121.463 119.950 0.072 0.000 2.146 311 F HA -0.084 4.438 4.527 -0.008 0.000 0.298 311 F C 1.621 177.439 175.800 0.030 0.000 1.096 311 F CA 1.496 59.538 58.000 0.071 0.000 1.275 311 F CB -0.019 39.091 39.000 0.184 0.000 1.008 311 F HN -0.140 nan 8.300 nan 0.000 0.480 312 K N -0.361 120.003 120.400 -0.059 0.000 2.283 312 K HA -0.044 4.272 4.320 -0.008 0.000 0.202 312 K C 1.548 178.046 176.600 -0.170 0.000 1.048 312 K CA 1.214 57.379 56.287 -0.203 0.000 0.948 312 K CB -0.235 32.257 32.500 -0.012 0.000 0.742 312 K HN 0.161 nan 8.250 nan 0.000 0.458 313 S N 0.608 116.264 115.700 -0.073 0.000 2.597 313 S HA 0.111 4.576 4.470 -0.008 0.000 0.224 313 S C 0.345 174.948 174.600 0.005 0.000 0.955 313 S CA -0.304 57.895 58.200 -0.003 0.000 0.933 313 S CB 0.413 63.654 63.200 0.069 0.000 0.788 313 S HN 0.113 nan 8.310 nan 0.000 0.488 325 N N 1.208 119.898 118.700 -0.016 0.000 2.415 325 N HA 0.349 5.085 4.740 -0.008 0.000 0.246 325 N C 0.330 175.903 175.510 0.105 0.000 1.078 325 N CA -0.443 52.653 53.050 0.076 0.000 0.942 325 N CB 0.377 38.905 38.487 0.069 0.000 1.140 325 N HN 0.365 nan 8.380 nan 0.000 0.501 326 F N 0.754 120.796 119.950 0.154 0.000 2.802 326 F HA -0.010 4.513 4.527 -0.008 0.000 0.300 326 F C 1.474 177.339 175.800 0.109 0.000 1.168 326 F CA 0.216 58.296 58.000 0.134 0.000 1.433 326 F CB 0.172 39.127 39.000 -0.074 0.000 1.115 326 F HN 0.512 nan 8.300 nan 0.000 0.582 327 D N 0.260 120.799 120.400 0.231 0.000 2.218 327 D HA -0.144 4.492 4.640 -0.008 0.000 0.204 327 D C 2.194 178.586 176.300 0.154 0.000 0.976 327 D CA 1.193 55.287 54.000 0.157 0.000 0.853 327 D CB -0.098 40.769 40.800 0.111 0.000 0.939 327 D HN 0.320 nan 8.370 nan 0.000 0.481 328 A N -0.268 122.673 122.820 0.201 0.000 2.251 328 A HA 0.066 4.381 4.320 -0.008 0.000 0.209 328 A C 1.715 179.414 177.584 0.192 0.000 1.187 328 A CA -0.307 51.847 52.037 0.195 0.000 0.823 328 A CB -0.673 18.456 19.000 0.216 0.000 0.846 328 A HN 0.132 nan 8.150 nan 0.000 0.486 329 F N 1.846 121.746 119.950 -0.084 0.000 2.065 329 F HA -0.146 4.376 4.527 -0.007 0.000 0.298 329 F C -0.796 174.880 175.800 -0.205 0.000 1.112 329 F CA 2.485 60.209 58.000 -0.459 0.000 1.212 329 F CB -0.571 38.193 39.000 -0.395 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.102 nan 4.420 nan 0.000 0.225 330 P C 0.660 177.907 177.300 -0.088 0.000 1.148 330 P CA 1.488 64.546 63.100 -0.070 0.000 0.779 330 P CB -0.048 31.645 31.700 -0.012 0.000 0.780 331 D N -1.043 119.328 120.400 -0.047 0.000 2.305 331 D HA -0.009 4.626 4.640 -0.008 0.000 0.206 331 D C 1.498 177.780 176.300 -0.030 0.000 0.974 331 D CA 0.849 54.837 54.000 -0.020 0.000 0.871 331 D CB 0.128 40.940 40.800 0.020 0.000 0.947 331 D HN 0.142 nan 8.370 nan 0.000 0.516 332 K N 0.175 120.537 120.400 -0.063 0.000 2.373 332 K HA 0.213 4.528 4.320 -0.008 0.000 0.200 332 K C 0.021 176.530 176.600 -0.151 0.000 1.054 332 K CA 0.061 56.325 56.287 -0.038 0.000 1.065 332 K CB 2.246 34.840 32.500 0.156 0.000 0.886 332 K HN -0.050 nan 8.250 nan 0.000 0.546 333 V N 0.848 120.573 119.914 -0.315 0.000 2.760 333 V HA 0.639 4.755 4.120 -0.008 0.000 0.309 333 V C -1.158 174.822 176.094 -0.191 0.000 1.077 333 V CA -1.262 60.843 62.300 -0.325 0.000 0.910 333 V CB 1.908 33.237 31.823 -0.823 0.000 1.008 333 V HN 0.105 nan 8.190 nan 0.000 0.424 334 A N 5.534 128.300 122.820 -0.090 0.000 2.359 334 A HA 0.917 5.232 4.320 -0.008 0.000 0.303 334 A C -1.068 176.529 177.584 0.023 0.000 1.066 334 A CA -0.426 51.593 52.037 -0.030 0.000 0.730 334 A CB 1.037 19.962 19.000 -0.125 0.000 1.211 334 A HN 0.756 nan 8.150 nan 0.000 0.439 335 I N 1.919 122.558 120.570 0.115 0.000 2.382 335 I HA 0.310 4.475 4.170 -0.008 0.000 0.286 335 I C -0.339 175.885 176.117 0.178 0.000 1.002 335 I CA -0.596 60.792 61.300 0.147 0.000 1.135 335 I CB 1.977 40.046 38.000 0.116 0.000 1.288 335 I HN 0.697 nan 8.210 nan 0.000 0.448 336 Q N 6.004 125.918 119.800 0.190 0.000 2.314 336 Q HA 0.442 4.777 4.340 -0.008 0.000 0.259 336 Q C -1.396 174.644 176.000 0.067 0.000 0.951 336 Q CA -0.489 55.467 55.803 0.255 0.000 0.909 336 Q CB 1.251 30.275 28.738 0.478 0.000 1.236 336 Q HN 0.427 nan 8.270 nan 0.000 0.444 337 L N 4.311 125.601 121.223 0.112 0.000 2.261 337 L HA 0.318 4.654 4.340 -0.008 0.000 0.289 337 L C -0.228 176.686 176.870 0.075 0.000 1.059 337 L CA -0.174 54.717 54.840 0.086 0.000 0.816 337 L CB 0.459 42.617 42.059 0.165 0.000 1.191 337 L HN 0.598 nan 8.230 nan 0.000 0.431 338 N N 4.265 122.922 118.700 -0.071 0.000 2.508 338 N HA 0.119 4.855 4.740 -0.008 0.000 0.253 338 N C -0.038 175.498 175.510 0.043 0.000 1.145 338 N CA 0.515 53.566 53.050 0.001 0.000 0.973 338 N CB -0.119 38.251 38.487 -0.195 0.000 1.305 338 N HN 0.582 nan 8.380 nan 0.000 0.506 339 D N -0.136 120.383 120.400 0.199 0.000 4.199 339 D HA -0.222 4.413 4.640 -0.008 0.000 0.291 339 D C 0.351 176.759 176.300 0.180 0.000 2.213 339 D CA 1.507 55.609 54.000 0.171 0.000 1.174 339 D CB -0.639 39.983 40.800 -0.297 0.000 1.012 339 D HN 0.477 nan 8.370 nan 0.000 1.213 340 T N -2.466 112.131 114.554 0.071 0.000 3.129 340 T HA 0.105 4.450 4.350 -0.008 0.000 0.251 340 T C 1.681 176.467 174.700 0.143 0.000 1.117 340 T CA 1.521 63.648 62.100 0.045 0.000 1.034 340 T CB -0.526 68.335 68.868 -0.010 0.000 0.968 340 T HN 0.514 nan 8.240 nan 0.000 0.526 341 H N 2.683 121.843 119.070 0.151 0.000 2.357 341 H HA -0.028 4.524 4.556 -0.008 0.000 0.296 341 H C -0.782 174.636 175.328 0.150 0.000 1.108 341 H CA 1.205 57.356 56.048 0.171 0.000 1.273 341 H CB -0.783 29.077 29.762 0.165 0.000 1.367 341 H HN 0.452 nan 8.280 nan 0.000 0.498 342 P HA 0.094 nan 4.420 nan 0.000 0.262 342 P C 0.708 178.056 177.300 0.081 0.000 1.651 342 P CA 0.372 63.555 63.100 0.138 0.000 1.119 342 P CB 0.513 32.285 31.700 0.119 0.000 1.552 343 S N 0.002 115.745 115.700 0.071 0.000 2.419 343 S HA -0.124 4.341 4.470 -0.008 0.000 0.235 343 S C 1.801 176.408 174.600 0.012 0.000 1.019 343 S CA 0.768 58.971 58.200 0.004 0.000 0.982 343 S CB -1.473 61.704 63.200 -0.039 0.000 0.789 343 S HN 0.149 nan 8.310 nan 0.000 0.490 344 L N 1.004 122.248 121.223 0.037 0.000 2.549 344 L HA 0.036 4.372 4.340 -0.008 0.000 0.230 344 L C 2.884 179.795 176.870 0.069 0.000 1.162 344 L CA 0.597 55.463 54.840 0.044 0.000 0.834 344 L CB -0.743 41.342 42.059 0.043 0.000 0.947 344 L HN 0.477 nan 8.230 nan 0.000 0.452 345 A N 0.461 123.301 122.820 0.034 0.000 1.972 345 A HA -0.166 4.149 4.320 -0.008 0.000 0.219 345 A C 2.185 179.774 177.584 0.009 0.000 1.169 345 A CA 1.311 53.354 52.037 0.010 0.000 0.635 345 A CB -0.401 18.597 19.000 -0.004 0.000 0.810 345 A HN 0.374 nan 8.150 nan 0.000 0.446 346 I N 0.289 120.866 120.570 0.012 0.000 2.133 346 I HA -0.136 4.029 4.170 -0.008 0.000 0.238 346 I C -0.348 175.791 176.117 0.037 0.000 1.074 346 I CA 1.474 62.779 61.300 0.008 0.000 1.342 346 I CB -0.967 37.039 38.000 0.011 0.000 1.053 346 I HN 0.249 nan 8.210 nan 0.000 0.404 347 P HA -0.146 nan 4.420 nan 0.000 0.225 347 P C 1.230 178.548 177.300 0.029 0.000 1.156 347 P CA 1.391 64.524 63.100 0.055 0.000 0.787 347 P CB 0.072 31.822 31.700 0.083 0.000 0.802 348 E N 0.349 120.636 120.200 0.145 0.000 2.107 348 E HA -0.136 4.210 4.350 -0.008 0.000 0.191 348 E C 1.921 178.510 176.600 -0.018 0.000 0.982 348 E CA 0.598 57.103 56.400 0.175 0.000 0.809 348 E CB -1.165 28.692 29.700 0.262 0.000 0.756 348 E HN -0.013 nan 8.360 nan 0.000 0.459 349 L N -0.005 121.180 121.223 -0.063 0.000 2.046 349 L HA -0.087 4.248 4.340 -0.008 0.000 0.208 349 L C 2.073 178.806 176.870 -0.229 0.000 1.077 349 L CA 1.728 56.474 54.840 -0.157 0.000 0.747 349 L CB -0.567 41.406 42.059 -0.143 0.000 0.896 349 L HN 0.232 nan 8.230 nan 0.000 0.432 350 M N -0.755 118.724 119.600 -0.202 0.000 2.086 350 M HA -0.223 4.252 4.480 -0.008 0.000 0.261 350 M C 2.436 178.561 176.300 -0.291 0.000 1.067 350 M CA 1.602 56.724 55.300 -0.298 0.000 1.116 350 M CB -1.227 31.181 32.600 -0.320 0.000 1.348 350 M HN 0.327 nan 8.290 nan 0.000 0.407 351 R N 0.028 120.384 120.500 -0.240 0.000 2.096 351 R HA -0.152 4.183 4.340 -0.008 0.000 0.240 351 R C 2.065 178.257 176.300 -0.180 0.000 1.139 351 R CA 1.834 57.796 56.100 -0.230 0.000 0.952 351 R CB -0.237 29.873 30.300 -0.316 0.000 0.854 351 R HN 0.214 nan 8.270 nan 0.000 0.436 352 V N 1.356 121.164 119.914 -0.177 0.000 2.295 352 V HA -0.250 3.865 4.120 -0.008 0.000 0.246 352 V C 2.405 178.338 176.094 -0.270 0.000 1.049 352 V CA 1.782 63.973 62.300 -0.181 0.000 1.024 352 V CB -0.396 31.316 31.823 -0.184 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.631 120.364 121.223 -0.379 0.000 2.046 353 L HA -0.135 4.200 4.340 -0.008 0.000 0.208 353 L C 2.379 179.064 176.870 -0.308 0.000 1.077 353 L CA 1.123 55.675 54.840 -0.480 0.000 0.747 353 L CB -0.645 41.082 42.059 -0.554 0.000 0.896 353 L HN 0.206 nan 8.230 nan 0.000 0.432 354 V N -0.589 119.180 119.914 -0.241 0.000 2.331 354 V HA -0.174 3.941 4.120 -0.008 0.000 0.242 354 V C 1.991 178.040 176.094 -0.076 0.000 1.034 354 V CA 1.662 63.880 62.300 -0.136 0.000 1.027 354 V CB -0.355 31.404 31.823 -0.108 0.000 0.667 354 V HN 0.334 nan 8.190 nan 0.000 0.457 355 D N 0.135 120.487 120.400 -0.081 0.000 2.123 355 D HA -0.037 4.598 4.640 -0.008 0.000 0.200 355 D C 2.076 178.351 176.300 -0.042 0.000 0.976 355 D CA 1.249 55.222 54.000 -0.045 0.000 0.831 355 D CB -0.044 40.727 40.800 -0.048 0.000 0.974 355 D HN 0.315 nan 8.370 nan 0.000 0.469 356 L N 0.259 121.443 121.223 -0.066 0.000 2.200 356 L HA 0.083 4.419 4.340 -0.008 0.000 0.200 356 L C 1.925 178.770 176.870 -0.042 0.000 1.072 356 L CA 0.613 55.425 54.840 -0.046 0.000 0.787 356 L CB -0.131 41.901 42.059 -0.045 0.000 0.957 356 L HN -0.158 nan 8.230 nan 0.000 0.459 357 E N 0.703 120.846 120.200 -0.095 0.000 2.442 357 E HA 0.012 4.357 4.350 -0.008 0.000 0.195 357 E C 0.148 176.725 176.600 -0.039 0.000 1.030 357 E CA -0.001 56.360 56.400 -0.066 0.000 0.869 357 E CB 0.220 29.787 29.700 -0.221 0.000 0.857 357 E HN 0.268 nan 8.360 nan 0.000 0.505 358 R N -0.045 120.422 120.500 -0.055 0.000 3.532 358 R HA -0.189 4.146 4.340 -0.008 0.000 0.284 358 R C -0.483 175.806 176.300 -0.019 0.000 1.140 358 R CA 0.227 56.315 56.100 -0.021 0.000 0.768 358 R CB -2.530 27.775 30.300 0.009 0.000 1.252 358 R HN 0.037 nan 8.270 nan 0.000 0.454 359 L N 2.002 123.186 121.223 -0.066 0.000 2.418 359 L HA 0.166 4.501 4.340 -0.008 0.000 0.265 359 L C 1.305 178.166 176.870 -0.015 0.000 1.143 359 L CA 0.103 54.914 54.840 -0.049 0.000 0.809 359 L CB 0.469 42.453 42.059 -0.125 0.000 1.124 359 L HN 0.127 nan 8.230 nan 0.000 0.456 360 D N 0.728 121.144 120.400 0.027 0.000 2.362 360 D HA -0.136 4.499 4.640 -0.008 0.000 0.242 360 D C 0.967 177.328 176.300 0.102 0.000 1.132 360 D CA -0.501 53.548 54.000 0.082 0.000 0.907 360 D CB 0.723 41.578 40.800 0.092 0.000 1.195 360 D HN 0.602 nan 8.370 nan 0.000 0.429 361 W N 2.196 123.497 121.300 0.003 0.000 2.301 361 W HA -0.248 4.407 4.660 -0.008 0.000 0.325 361 W C 1.204 177.764 176.519 0.068 0.000 1.250 361 W CA 2.029 59.381 57.345 0.012 0.000 1.261 361 W CB -0.341 29.105 29.460 -0.023 0.000 1.157 361 W HN 0.500 nan 8.180 nan 0.000 0.473 362 D N 0.111 120.714 120.400 0.338 0.000 2.149 362 D HA -0.207 4.428 4.640 -0.008 0.000 0.198 362 D C 2.050 178.452 176.300 0.169 0.000 0.990 362 D CA 1.383 55.552 54.000 0.283 0.000 0.839 362 D CB -0.397 40.542 40.800 0.231 0.000 0.948 362 D HN 0.111 nan 8.370 nan 0.000 0.460 363 K N 1.015 121.471 120.400 0.093 0.000 2.025 363 K HA -0.009 4.306 4.320 -0.008 0.000 0.207 363 K C 2.035 178.626 176.600 -0.015 0.000 1.049 363 K CA 0.915 57.230 56.287 0.047 0.000 0.933 363 K CB -0.326 32.197 32.500 0.037 0.000 0.714 363 K HN 0.021 nan 8.250 nan 0.000 0.438 364 A N 0.916 123.682 122.820 -0.090 0.000 1.908 364 A HA -0.203 4.112 4.320 -0.008 0.000 0.218 364 A C 2.147 179.640 177.584 -0.153 0.000 1.181 364 A CA 1.420 53.334 52.037 -0.206 0.000 0.627 364 A CB -1.097 17.704 19.000 -0.331 0.000 0.818 364 A HN 0.662 nan 8.150 nan 0.000 0.445 365 W N 0.576 121.668 121.300 -0.345 0.000 2.358 365 W HA -0.165 4.491 4.660 -0.007 0.000 0.303 365 W C 2.003 178.466 176.519 -0.093 0.000 1.208 365 W CA 1.774 58.973 57.345 -0.243 0.000 1.274 365 W CB -0.084 29.287 29.460 -0.148 0.000 1.138 365 W HN 0.595 nan 8.180 nan 0.000 0.515 366 E N 0.072 120.267 120.200 -0.009 0.000 2.058 366 E HA -0.227 4.118 4.350 -0.008 0.000 0.194 366 E C 2.047 178.569 176.600 -0.131 0.000 0.997 366 E CA 1.917 58.272 56.400 -0.074 0.000 0.801 366 E CB -0.298 29.416 29.700 0.022 0.000 0.746 366 E HN 0.068 nan 8.360 nan 0.000 0.450 367 V N 0.697 120.553 119.914 -0.097 0.000 2.295 367 V HA -0.261 3.855 4.120 -0.008 0.000 0.246 367 V C 2.410 178.445 176.094 -0.099 0.000 1.049 367 V CA 2.195 64.457 62.300 -0.064 0.000 1.024 367 V CB -0.792 30.983 31.823 -0.079 0.000 0.648 367 V HN 0.365 nan 8.190 nan 0.000 0.447 368 T N 0.042 114.468 114.554 -0.214 0.000 2.684 368 T HA -0.175 4.171 4.350 -0.008 0.000 0.267 368 T C 1.941 176.465 174.700 -0.293 0.000 1.036 368 T CA 1.751 63.703 62.100 -0.248 0.000 1.148 368 T CB -0.266 68.410 68.868 -0.321 0.000 0.863 368 T HN 0.283 nan 8.240 nan 0.000 0.436 369 V N 1.312 120.933 119.914 -0.489 0.000 2.343 369 V HA -0.149 3.967 4.120 -0.008 0.000 0.247 369 V C 2.334 178.377 176.094 -0.085 0.000 1.051 369 V CA 1.596 63.660 62.300 -0.393 0.000 1.036 369 V CB -0.464 31.044 31.823 -0.525 0.000 0.654 369 V HN 0.455 nan 8.190 nan 0.000 0.451 370 K N -0.490 119.845 120.400 -0.109 0.000 2.365 370 K HA -0.073 4.243 4.320 -0.008 0.000 0.199 370 K C 2.059 178.627 176.600 -0.052 0.000 1.045 370 K CA 1.431 57.637 56.287 -0.135 0.000 0.962 370 K CB -0.160 32.260 32.500 -0.134 0.000 0.759 370 K HN 0.459 nan 8.250 nan 0.000 0.469 371 T N 0.129 114.710 114.554 0.045 0.000 2.976 371 T HA 0.029 4.375 4.350 -0.008 0.000 0.257 371 T C 0.858 175.663 174.700 0.175 0.000 1.051 371 T CA 0.359 62.520 62.100 0.101 0.000 1.141 371 T CB 0.125 69.090 68.868 0.161 0.000 0.881 371 T HN 0.166 nan 8.240 nan 0.000 0.461 372 C N 2.407 121.796 119.300 0.148 0.000 2.401 372 C HA 0.881 5.337 4.460 -0.008 0.000 0.365 372 C C 0.561 175.611 174.990 0.099 0.000 1.250 372 C CA -1.310 57.780 59.018 0.121 0.000 2.131 372 C CB 0.124 27.876 27.740 0.021 0.000 2.445 372 C HN 0.571 nan 8.230 nan 0.000 0.550 373 A N 2.085 124.960 122.820 0.091 0.000 2.449 373 A HA 0.750 5.065 4.320 -0.008 0.000 0.302 373 A C -1.466 176.195 177.584 0.127 0.000 1.048 373 A CA -0.410 51.620 52.037 -0.011 0.000 0.708 373 A CB 0.987 20.011 19.000 0.040 0.000 1.274 373 A HN 0.949 nan 8.150 nan 0.000 0.410 374 Y N 1.184 121.437 120.300 -0.080 0.000 2.409 374 Y HA 0.660 5.206 4.550 -0.007 0.000 0.343 374 Y C -0.494 175.396 175.900 -0.018 0.000 0.973 374 Y CA -0.320 57.752 58.100 -0.046 0.000 1.064 374 Y CB 2.099 40.492 38.460 -0.112 0.000 1.207 374 Y HN 0.550 nan 8.280 nan 0.000 0.452 375 T N 6.516 120.817 114.554 -0.422 0.000 2.770 375 T HA 0.189 4.534 4.350 -0.008 0.000 0.283 375 T C -0.827 173.369 174.700 -0.839 0.000 0.988 375 T CA -0.813 60.980 62.100 -0.511 0.000 0.957 375 T CB 0.363 69.165 68.868 -0.110 0.000 0.930 375 T HN 0.651 nan 8.240 nan 0.000 0.443 376 N N 1.875 120.105 118.700 -0.783 0.000 2.479 376 N HA 0.126 4.862 4.740 -0.008 0.000 0.285 376 N C 0.189 175.596 175.510 -0.172 0.000 1.075 376 N CA -0.289 52.554 53.050 -0.346 0.000 0.967 376 N CB 0.771 39.255 38.487 -0.006 0.000 1.137 376 N HN 0.659 nan 8.380 nan 0.000 0.472 377 H N 1.037 120.138 119.070 0.051 0.000 2.874 377 H HA 0.146 4.697 4.556 -0.008 0.000 0.264 377 H C -0.062 175.164 175.328 -0.169 0.000 1.007 377 H CA 0.171 56.195 56.048 -0.041 0.000 1.207 377 H CB 1.200 30.944 29.762 -0.031 0.000 1.487 377 H HN 0.534 nan 8.280 nan 0.000 0.505 378 T N 0.027 114.603 114.554 0.037 0.000 2.830 378 T HA 0.238 4.583 4.350 -0.008 0.000 0.322 378 T C 0.467 175.190 174.700 0.038 0.000 1.501 378 T CA -0.298 61.766 62.100 -0.060 0.000 1.036 378 T CB 1.278 70.102 68.868 -0.073 0.000 1.379 378 T HN -0.057 nan 8.240 nan 0.000 0.493 379 V N 1.900 121.801 119.914 -0.021 0.000 3.605 379 V HA 0.490 4.605 4.120 -0.008 0.000 0.284 379 V C 1.058 177.114 176.094 -0.063 0.000 1.386 379 V CA 0.276 62.552 62.300 -0.041 0.000 1.053 379 V CB -0.817 30.977 31.823 -0.049 0.000 0.857 379 V HN 0.826 nan 8.190 nan 0.000 0.436 380 I N -0.007 120.510 120.570 -0.089 0.000 2.668 380 I HA 0.248 4.413 4.170 -0.008 0.000 0.285 380 I C -0.428 175.679 176.117 -0.017 0.000 1.168 380 I CA -1.326 59.940 61.300 -0.056 0.000 1.424 380 I CB 0.363 38.307 38.000 -0.094 0.000 1.377 380 I HN -0.012 nan 8.210 nan 0.000 0.560 381 P HA -0.274 nan 4.420 nan 0.000 0.217 381 P C 1.063 178.359 177.300 -0.006 0.000 1.151 381 P CA 1.771 64.868 63.100 -0.004 0.000 0.849 381 P CB -0.124 31.578 31.700 0.005 0.000 0.787 382 E N 0.219 120.439 120.200 0.033 0.000 2.409 382 E HA -0.061 4.284 4.350 -0.008 0.000 0.198 382 E C 1.663 178.224 176.600 -0.066 0.000 1.024 382 E CA 1.152 57.553 56.400 0.002 0.000 0.861 382 E CB -0.716 29.087 29.700 0.171 0.000 0.788 382 E HN 0.255 nan 8.360 nan 0.000 0.521 383 A N 1.045 123.868 122.820 0.004 0.000 2.169 383 A HA 0.188 4.504 4.320 -0.008 0.000 0.210 383 A C 1.176 178.746 177.584 -0.023 0.000 1.168 383 A CA -0.336 51.721 52.037 0.033 0.000 0.813 383 A CB 0.121 19.164 19.000 0.071 0.000 0.861 383 A HN 0.141 nan 8.150 nan 0.000 0.481 384 L N 1.986 123.157 121.223 -0.087 0.000 2.513 384 L HA 0.082 4.418 4.340 -0.008 0.000 0.272 384 L C -0.075 176.482 176.870 -0.521 0.000 1.187 384 L CA 0.646 55.376 54.840 -0.184 0.000 0.895 384 L CB 0.086 42.068 42.059 -0.127 0.000 1.147 384 L HN 0.419 nan 8.230 nan 0.000 0.483 385 E N 5.445 125.241 120.200 -0.674 0.000 2.129 385 E HA 0.192 4.538 4.350 -0.008 0.000 0.283 385 E C -0.427 175.559 176.600 -1.024 0.000 1.080 385 E CA -0.212 55.340 56.400 -1.412 0.000 0.867 385 E CB 0.682 29.881 29.700 -0.835 0.000 1.056 385 E HN 0.370 nan 8.360 nan 0.000 0.404 386 R N 3.928 123.717 120.500 -1.185 0.000 2.407 386 R HA 0.198 4.533 4.340 -0.008 0.000 0.298 386 R C -1.156 174.976 176.300 -0.281 0.000 1.166 386 R CA -0.598 55.222 56.100 -0.466 0.000 1.006 386 R CB 0.862 31.019 30.300 -0.238 0.000 1.145 386 R HN 0.429 nan 8.270 nan 0.000 0.538 387 W N 4.253 125.506 121.300 -0.078 0.000 2.316 387 W HA 0.275 4.930 4.660 -0.008 0.000 0.311 387 W C -1.939 174.556 176.519 -0.039 0.000 1.217 387 W CA -2.108 55.254 57.345 0.028 0.000 1.199 387 W CB 0.733 30.186 29.460 -0.011 0.000 1.202 387 W HN 0.250 nan 8.180 nan 0.000 0.528 388 P HA -0.073 nan 4.420 nan 0.000 0.267 388 P C 0.769 177.993 177.300 -0.128 0.000 1.205 388 P CA 0.168 63.234 63.100 -0.058 0.000 0.765 388 P CB 0.807 32.316 31.700 -0.317 0.000 0.828 389 V N 3.200 123.092 119.914 -0.036 0.000 2.392 389 V HA -0.280 3.836 4.120 -0.008 0.000 0.249 389 V C 2.069 178.164 176.094 0.002 0.000 1.059 389 V CA 2.460 64.765 62.300 0.008 0.000 1.051 389 V CB -1.728 30.166 31.823 0.119 0.000 0.658 389 V HN 0.757 nan 8.190 nan 0.000 0.455 390 H N -1.132 118.001 119.070 0.104 0.000 2.489 390 H HA -0.079 4.472 4.556 -0.008 0.000 0.293 390 H C 1.995 177.377 175.328 0.090 0.000 1.066 390 H CA 1.564 57.669 56.048 0.095 0.000 1.305 390 H CB -0.512 29.306 29.762 0.093 0.000 1.386 390 H HN 0.369 nan 8.280 nan 0.000 0.551 391 L N -0.131 120.971 121.223 -0.203 0.000 2.068 391 L HA -0.043 4.292 4.340 -0.008 0.000 0.204 391 L C 2.321 179.158 176.870 -0.055 0.000 1.076 391 L CA 0.832 55.646 54.840 -0.044 0.000 0.753 391 L CB -0.193 41.827 42.059 -0.066 0.000 0.910 391 L HN 0.313 nan 8.230 nan 0.000 0.439 392 L N -0.521 120.637 121.223 -0.107 0.000 2.083 392 L HA -0.246 4.090 4.340 -0.008 0.000 0.209 392 L C 2.490 179.303 176.870 -0.095 0.000 1.083 392 L CA 1.175 55.922 54.840 -0.155 0.000 0.752 392 L CB -0.429 41.526 42.059 -0.173 0.000 0.899 392 L HN 0.334 nan 8.230 nan 0.000 0.433 393 E N -0.403 119.783 120.200 -0.023 0.000 2.058 393 E HA -0.231 4.115 4.350 -0.008 0.000 0.194 393 E C 1.953 178.595 176.600 0.071 0.000 0.997 393 E CA 2.013 58.433 56.400 0.033 0.000 0.801 393 E CB 0.118 29.877 29.700 0.099 0.000 0.746 393 E HN 0.425 nan 8.360 nan 0.000 0.450 394 T N 0.727 115.349 114.554 0.114 0.000 2.809 394 T HA -0.081 4.264 4.350 -0.008 0.000 0.260 394 T C 1.731 176.562 174.700 0.219 0.000 1.039 394 T CA 0.698 62.918 62.100 0.200 0.000 1.141 394 T CB -0.135 68.884 68.868 0.252 0.000 0.869 394 T HN 0.059 nan 8.240 nan 0.000 0.437 395 L N 0.172 121.424 121.223 0.048 0.000 2.095 395 L HA 0.305 4.640 4.340 -0.008 0.000 0.204 395 L C 0.434 177.245 176.870 -0.099 0.000 1.080 395 L CA 1.656 56.399 54.840 -0.162 0.000 0.759 395 L CB -0.031 41.897 42.059 -0.218 0.000 0.914 395 L HN 0.182 nan 8.230 nan 0.000 0.439 396 L N 0.787 121.908 121.223 -0.169 0.000 2.594 396 L HA 0.287 4.622 4.340 -0.008 0.000 0.245 396 L C -1.643 175.044 176.870 -0.305 0.000 1.460 396 L CA -0.995 53.652 54.840 -0.322 0.000 0.865 396 L CB 0.892 42.596 42.059 -0.593 0.000 1.131 396 L HN -0.038 nan 8.230 nan 0.000 0.506 397 P HA -0.226 nan 4.420 nan 0.000 0.216 397 P C 1.464 178.565 177.300 -0.331 0.000 1.150 397 P CA 1.294 64.270 63.100 -0.206 0.000 0.843 397 P CB 0.380 32.039 31.700 -0.070 0.000 0.787 398 R N -0.360 119.752 120.500 -0.647 0.000 2.092 398 R HA -0.136 4.199 4.340 -0.008 0.000 0.231 398 R C 2.348 178.341 176.300 -0.511 0.000 1.119 398 R CA 1.524 57.261 56.100 -0.604 0.000 0.970 398 R CB -1.372 28.406 30.300 -0.871 0.000 0.864 398 R HN 0.227 nan 8.270 nan 0.000 0.440 399 H N -0.280 118.473 119.070 -0.530 0.000 2.423 399 H HA -0.041 4.510 4.556 -0.008 0.000 0.297 399 H C 1.755 176.907 175.328 -0.294 0.000 1.075 399 H CA 1.571 57.396 56.048 -0.372 0.000 1.342 399 H CB -0.053 29.454 29.762 -0.425 0.000 1.395 399 H HN 0.107 nan 8.280 nan 0.000 0.530 400 L N 0.493 121.588 121.223 -0.214 0.000 2.056 400 L HA -0.225 4.110 4.340 -0.008 0.000 0.207 400 L C 1.804 178.471 176.870 -0.338 0.000 1.078 400 L CA 1.546 56.192 54.840 -0.323 0.000 0.749 400 L CB -0.254 41.636 42.059 -0.281 0.000 0.901 400 L HN 0.447 nan 8.230 nan 0.000 0.433 401 Q N -0.223 119.495 119.800 -0.137 0.000 2.050 401 Q HA -0.232 4.103 4.340 -0.008 0.000 0.202 401 Q C 2.171 178.188 176.000 0.028 0.000 0.980 401 Q CA 1.635 57.453 55.803 0.025 0.000 0.840 401 Q CB -0.123 28.637 28.738 0.037 0.000 0.898 401 Q HN 0.550 nan 8.270 nan 0.000 0.424 402 I N 0.602 121.168 120.570 -0.007 0.000 2.286 402 I HA -0.276 3.890 4.170 -0.008 0.000 0.248 402 I C 2.202 178.388 176.117 0.115 0.000 1.115 402 I CA 1.089 62.468 61.300 0.132 0.000 1.392 402 I CB -0.212 37.813 38.000 0.042 0.000 1.065 402 I HN 0.208 nan 8.210 nan 0.000 0.418 403 I N -0.478 120.076 120.570 -0.027 0.000 2.315 403 I HA -0.304 3.861 4.170 -0.008 0.000 0.248 403 I C 2.408 178.530 176.117 0.009 0.000 1.117 403 I CA 1.396 62.667 61.300 -0.047 0.000 1.404 403 I CB -0.361 37.540 38.000 -0.165 0.000 1.071 403 I HN 0.157 nan 8.210 nan 0.000 0.419 404 Y N 0.851 121.153 120.300 0.003 0.000 2.200 404 Y HA -0.251 4.294 4.550 -0.008 0.000 0.290 404 Y C 2.597 178.458 175.900 -0.065 0.000 1.137 404 Y CA 1.415 59.503 58.100 -0.020 0.000 1.163 404 Y CB -0.769 37.672 38.460 -0.032 0.000 0.988 404 Y HN 0.169 nan 8.280 nan 0.000 0.518 405 E N 0.508 120.739 120.200 0.052 0.000 2.077 405 E HA -0.156 4.190 4.350 -0.008 0.000 0.193 405 E C 2.036 178.533 176.600 -0.172 0.000 0.989 405 E CA 1.394 57.676 56.400 -0.197 0.000 0.800 405 E CB -0.566 28.852 29.700 -0.471 0.000 0.746 405 E HN 0.487 nan 8.360 nan 0.000 0.452 406 I N 0.541 121.113 120.570 0.003 0.000 2.226 406 I HA -0.260 3.905 4.170 -0.008 0.000 0.245 406 I C 2.270 178.387 176.117 0.001 0.000 1.100 406 I CA 1.310 62.573 61.300 -0.062 0.000 1.374 406 I CB -0.385 37.589 38.000 -0.043 0.000 1.057 406 I HN 0.208 nan 8.210 nan 0.000 0.413 407 N N 0.800 119.551 118.700 0.085 0.000 2.084 407 N HA -0.264 4.472 4.740 -0.008 0.000 0.190 407 N C 1.866 177.464 175.510 0.147 0.000 1.030 407 N CA 1.610 54.766 53.050 0.177 0.000 0.849 407 N CB -0.129 38.477 38.487 0.200 0.000 1.012 407 N HN 0.268 nan 8.380 nan 0.000 0.423 408 Q N -0.050 119.779 119.800 0.049 0.000 2.014 408 Q HA -0.145 4.190 4.340 -0.008 0.000 0.207 408 Q C 2.080 178.061 176.000 -0.033 0.000 0.993 408 Q CA 1.779 57.571 55.803 -0.018 0.000 0.850 408 Q CB -0.026 28.658 28.738 -0.090 0.000 0.916 408 Q HN 0.396 nan 8.270 nan 0.000 0.417 409 R N -0.758 119.697 120.500 -0.076 0.000 2.120 409 R HA -0.138 4.197 4.340 -0.008 0.000 0.234 409 R C 2.188 178.513 176.300 0.041 0.000 1.123 409 R CA 1.209 57.264 56.100 -0.074 0.000 0.975 409 R CB -0.393 29.805 30.300 -0.169 0.000 0.866 409 R HN 0.290 nan 8.270 nan 0.000 0.446 410 F N 1.625 121.547 119.950 -0.046 0.000 2.113 410 F HA -0.077 4.445 4.527 -0.008 0.000 0.297 410 F C 1.884 177.709 175.800 0.042 0.000 1.103 410 F CA 1.245 59.269 58.000 0.040 0.000 1.248 410 F CB -0.238 38.819 39.000 0.094 0.000 0.999 410 F HN -0.130 nan 8.300 nan 0.000 0.475 411 L N 0.043 121.246 121.223 -0.033 0.000 2.201 411 L HA -0.227 4.108 4.340 -0.008 0.000 0.212 411 L C 1.947 178.735 176.870 -0.137 0.000 1.105 411 L CA 1.486 56.243 54.840 -0.138 0.000 0.775 411 L CB -0.860 41.193 42.059 -0.010 0.000 0.913 411 L HN 0.261 nan 8.230 nan 0.000 0.440 412 N N -0.301 118.345 118.700 -0.091 0.000 2.244 412 N HA -0.135 4.600 4.740 -0.008 0.000 0.183 412 N C 1.886 177.339 175.510 -0.095 0.000 1.016 412 N CA 0.584 53.587 53.050 -0.079 0.000 0.866 412 N CB 0.063 38.513 38.487 -0.062 0.000 0.980 412 N HN 0.298 nan 8.380 nan 0.000 0.430 413 R N 0.455 120.880 120.500 -0.125 0.000 2.090 413 R HA -0.012 4.323 4.340 -0.008 0.000 0.228 413 R C 2.140 178.338 176.300 -0.169 0.000 1.110 413 R CA 0.738 56.764 56.100 -0.122 0.000 0.973 413 R CB -0.227 30.019 30.300 -0.090 0.000 0.869 413 R HN 0.071 nan 8.270 nan 0.000 0.440 414 V N 1.041 120.803 119.914 -0.254 0.000 2.307 414 V HA -0.230 3.885 4.120 -0.008 0.000 0.245 414 V C 2.455 178.537 176.094 -0.020 0.000 1.045 414 V CA 1.988 64.204 62.300 -0.140 0.000 1.024 414 V CB -0.722 30.950 31.823 -0.253 0.000 0.651 414 V HN 0.388 nan 8.190 nan 0.000 0.449 415 A N 0.076 122.859 122.820 -0.062 0.000 1.908 415 A HA -0.156 4.159 4.320 -0.008 0.000 0.218 415 A C 2.363 179.919 177.584 -0.048 0.000 1.181 415 A CA 2.213 54.231 52.037 -0.031 0.000 0.627 415 A CB -0.752 18.221 19.000 -0.045 0.000 0.818 415 A HN 0.597 nan 8.150 nan 0.000 0.445 416 A N -0.820 121.951 122.820 -0.081 0.000 2.014 416 A HA 0.324 4.639 4.320 -0.008 0.000 0.218 416 A C 2.295 179.782 177.584 -0.161 0.000 1.163 416 A CA 1.679 53.658 52.037 -0.097 0.000 0.652 416 A CB -0.567 18.382 19.000 -0.085 0.000 0.808 416 A HN 0.966 nan 8.150 nan 0.000 0.449 417 A N -1.661 121.010 122.820 -0.250 0.000 1.984 417 A HA 0.439 4.755 4.320 -0.008 0.000 0.214 417 A C 0.366 177.479 177.584 -0.785 0.000 1.173 417 A CA 0.413 52.125 52.037 -0.542 0.000 0.673 417 A CB -0.028 18.547 19.000 -0.707 0.000 0.830 417 A HN 0.396 nan 8.150 nan 0.000 0.453 418 F N 0.087 119.991 119.950 -0.078 0.000 2.622 418 F HA 0.352 4.874 4.527 -0.008 0.000 0.338 418 F C -2.791 172.971 175.800 -0.063 0.000 1.334 418 F CA -2.973 54.986 58.000 -0.070 0.000 1.179 418 F CB 0.630 39.579 39.000 -0.084 0.000 1.471 418 F HN -0.076 nan 8.300 nan 0.000 0.576 419 P HA 0.135 nan 4.420 nan 0.000 0.261 419 P C 1.030 178.350 177.300 0.032 0.000 1.183 419 P CA 1.226 64.337 63.100 0.018 0.000 0.761 419 P CB 0.700 32.394 31.700 -0.010 0.000 0.785 420 G N 2.689 111.500 108.800 0.018 0.000 2.212 420 G HA2 -0.260 3.695 3.960 -0.008 0.000 0.266 420 G HA3 -0.260 3.695 3.960 -0.008 0.000 0.266 420 G C 0.382 175.289 174.900 0.012 0.000 0.978 420 G CA 0.098 45.205 45.100 0.011 0.000 0.632 420 G HN 0.609 nan 8.290 nan 0.000 0.537 421 D N 1.383 121.799 120.400 0.026 0.000 2.551 421 D HA 0.371 5.006 4.640 -0.008 0.000 0.223 421 D C 2.114 178.401 176.300 -0.021 0.000 1.144 421 D CA 0.406 54.406 54.000 -0.001 0.000 1.025 421 D CB 0.324 41.121 40.800 -0.005 0.000 1.085 421 D HN 0.588 nan 8.370 nan 0.000 0.506 422 V N 0.745 120.649 119.914 -0.018 0.000 2.407 422 V HA -0.166 3.950 4.120 -0.008 0.000 0.248 422 V C 1.811 177.890 176.094 -0.025 0.000 1.055 422 V CA 1.624 63.913 62.300 -0.019 0.000 1.049 422 V CB -0.494 31.322 31.823 -0.012 0.000 0.662 422 V HN 0.217 nan 8.190 nan 0.000 0.455 423 D N 0.352 120.734 120.400 -0.031 0.000 2.178 423 D HA -0.164 4.471 4.640 -0.008 0.000 0.202 423 D C 2.332 178.601 176.300 -0.051 0.000 0.974 423 D CA 1.319 55.301 54.000 -0.030 0.000 0.841 423 D CB -0.224 40.559 40.800 -0.029 0.000 0.953 423 D HN 0.471 nan 8.370 nan 0.000 0.478 424 R N -0.085 120.360 120.500 -0.092 0.000 2.081 424 R HA -0.098 4.238 4.340 -0.008 0.000 0.235 424 R C 2.233 178.459 176.300 -0.123 0.000 1.131 424 R CA 0.912 56.920 56.100 -0.154 0.000 0.960 424 R CB -0.268 29.881 30.300 -0.253 0.000 0.856 424 R HN 0.252 nan 8.270 nan 0.000 0.436 425 L N 0.666 121.842 121.223 -0.078 0.000 2.012 425 L HA -0.219 4.117 4.340 -0.008 0.000 0.210 425 L C 2.699 179.566 176.870 -0.004 0.000 1.073 425 L CA 1.969 56.779 54.840 -0.050 0.000 0.748 425 L CB -0.508 41.533 42.059 -0.030 0.000 0.891 425 L HN 0.305 nan 8.230 nan 0.000 0.431 426 R N 0.005 120.510 120.500 0.009 0.000 2.148 426 R HA -0.089 4.246 4.340 -0.008 0.000 0.223 426 R C 2.128 178.477 176.300 0.081 0.000 1.088 426 R CA 0.944 57.072 56.100 0.048 0.000 0.985 426 R CB -0.517 29.805 30.300 0.037 0.000 0.880 426 R HN 0.199 nan 8.270 nan 0.000 0.451 427 R N 0.152 120.680 120.500 0.047 0.000 2.115 427 R HA 0.131 4.467 4.340 -0.008 0.000 0.226 427 R C 1.912 178.291 176.300 0.132 0.000 1.100 427 R CA 1.649 57.803 56.100 0.088 0.000 0.980 427 R CB -0.152 30.160 30.300 0.020 0.000 0.875 427 R HN 0.329 nan 8.270 nan 0.000 0.445 428 M N 0.112 119.711 119.600 -0.002 0.000 2.502 428 M HA 0.053 4.528 4.480 -0.008 0.000 0.243 428 M C 0.836 177.297 176.300 0.269 0.000 1.130 428 M CA -0.023 55.231 55.300 -0.077 0.000 1.055 428 M CB 0.500 32.882 32.600 -0.364 0.000 1.457 428 M HN -0.092 nan 8.290 nan 0.000 0.488 429 S N 1.009 116.874 115.700 0.275 0.000 2.563 429 S HA 0.065 4.530 4.470 -0.008 0.000 0.284 429 S C 1.100 175.969 174.600 0.448 0.000 1.331 429 S CA -0.194 58.198 58.200 0.320 0.000 1.047 429 S CB 0.588 63.916 63.200 0.213 0.000 0.859 429 S HN 0.383 nan 8.310 nan 0.000 0.514 430 L N 3.739 125.174 121.223 0.354 0.000 2.418 430 L HA 0.148 4.483 4.340 -0.008 0.000 0.218 430 L C 0.162 177.143 176.870 0.185 0.000 1.125 430 L CA 0.203 55.209 54.840 0.275 0.000 0.835 430 L CB -0.277 41.884 42.059 0.171 0.000 0.953 430 L HN 0.383 nan 8.230 nan 0.000 0.454 431 V N 0.799 120.836 119.914 0.205 0.000 2.370 431 V HA 0.190 4.305 4.120 -0.008 0.000 0.279 431 V C 0.019 176.203 176.094 0.150 0.000 1.029 431 V CA -0.599 61.808 62.300 0.178 0.000 0.870 431 V CB 1.500 33.463 31.823 0.234 0.000 0.984 431 V HN 0.167 nan 8.190 nan 0.000 0.451 432 E N 3.804 124.071 120.200 0.113 0.000 2.156 432 E HA 0.381 4.726 4.350 -0.008 0.000 0.279 432 E C -0.563 176.089 176.600 0.087 0.000 0.965 432 E CA -0.639 55.818 56.400 0.094 0.000 0.789 432 E CB 1.694 31.430 29.700 0.060 0.000 1.098 432 E HN 0.589 nan 8.360 nan 0.000 0.397 433 E N 0.977 121.224 120.200 0.079 0.000 2.322 433 E HA 0.587 4.933 4.350 -0.008 0.000 0.257 433 E C 0.496 177.132 176.600 0.060 0.000 1.155 433 E CA -0.332 56.109 56.400 0.068 0.000 0.936 433 E CB 1.509 31.243 29.700 0.056 0.000 1.130 433 E HN 0.757 nan 8.360 nan 0.000 0.465 434 G N -0.607 108.226 108.800 0.055 0.000 2.250 434 G HA2 0.077 4.033 3.960 -0.008 0.000 0.252 434 G HA3 0.077 4.033 3.960 -0.008 0.000 0.252 434 G C 0.563 175.495 174.900 0.054 0.000 1.325 434 G CA 0.439 45.569 45.100 0.050 0.000 1.091 434 G HN 0.521 nan 8.290 nan 0.000 0.476 435 A N -0.790 122.060 122.820 0.051 0.000 1.870 435 A HA 0.248 4.564 4.320 -0.008 0.000 0.219 435 A C 1.865 179.491 177.584 0.071 0.000 1.286 435 A CA 4.729 56.798 52.037 0.054 0.000 0.682 435 A CB -1.283 17.748 19.000 0.052 0.000 0.844 435 A HN 2.462 nan 8.150 nan 0.000 0.460 436 V N -2.998 116.970 119.914 0.089 0.000 2.604 436 V HA 0.579 4.695 4.120 -0.008 0.000 0.305 436 V C -0.572 175.592 176.094 0.116 0.000 1.043 436 V CA -1.348 61.028 62.300 0.126 0.000 0.888 436 V CB 1.680 33.611 31.823 0.180 0.000 0.995 436 V HN 0.407 nan 8.190 nan 0.000 0.429 437 K N 4.170 124.647 120.400 0.128 0.000 2.326 437 K HA 0.510 4.825 4.320 -0.008 0.000 0.275 437 K C -0.430 176.235 176.600 0.107 0.000 1.018 437 K CA -0.228 56.129 56.287 0.117 0.000 0.962 437 K CB 0.897 33.480 32.500 0.138 0.000 0.953 437 K HN 0.739 nan 8.250 nan 0.000 0.475 438 R N 1.291 121.844 120.500 0.089 0.000 2.808 438 R HA 0.482 4.818 4.340 -0.008 0.000 0.272 438 R C -0.674 175.662 176.300 0.060 0.000 0.995 438 R CA -1.035 55.106 56.100 0.069 0.000 0.917 438 R CB 1.304 31.628 30.300 0.040 0.000 1.217 438 R HN 0.368 nan 8.270 nan 0.000 0.471 439 I N 1.929 122.530 120.570 0.052 0.000 2.339 439 I HA 0.163 4.329 4.170 -0.008 0.000 0.290 439 I C -0.222 175.878 176.117 -0.028 0.000 0.994 439 I CA -0.759 60.559 61.300 0.029 0.000 1.191 439 I CB 1.207 39.224 38.000 0.027 0.000 1.343 439 I HN 0.506 nan 8.210 nan 0.000 0.458 440 N N 7.139 125.792 118.700 -0.079 0.000 2.402 440 N HA 0.086 4.821 4.740 -0.008 0.000 0.252 440 N C 0.835 176.239 175.510 -0.176 0.000 1.118 440 N CA -0.330 52.589 53.050 -0.218 0.000 0.945 440 N CB 0.948 39.152 38.487 -0.472 0.000 1.147 440 N HN 0.369 nan 8.380 nan 0.000 0.495 441 M N 2.451 121.955 119.600 -0.160 0.000 2.296 441 M HA -0.067 4.408 4.480 -0.008 0.000 0.265 441 M C 1.928 178.086 176.300 -0.238 0.000 1.064 441 M CA 0.727 55.949 55.300 -0.130 0.000 1.109 441 M CB -1.561 31.007 32.600 -0.052 0.000 1.396 441 M HN 0.604 nan 8.290 nan 0.000 0.430 442 A N -0.564 122.106 122.820 -0.250 0.000 1.898 442 A HA -0.166 4.150 4.320 -0.008 0.000 0.216 442 A C 1.984 179.318 177.584 -0.416 0.000 1.181 442 A CA 1.425 53.270 52.037 -0.319 0.000 0.620 442 A CB -1.116 17.884 19.000 -0.001 0.000 0.819 442 A HN 0.601 nan 8.150 nan 0.000 0.442 443 H N -1.082 117.754 119.070 -0.390 0.000 2.423 443 H HA -0.005 4.547 4.556 -0.008 0.000 0.297 443 H C 2.103 177.188 175.328 -0.405 0.000 1.075 443 H CA 0.852 56.621 56.048 -0.464 0.000 1.342 443 H CB -0.021 29.702 29.762 -0.065 0.000 1.395 443 H HN 0.383 nan 8.280 nan 0.000 0.530 444 L N 0.314 121.438 121.223 -0.164 0.000 2.017 444 L HA -0.223 4.113 4.340 -0.008 0.000 0.208 444 L C 2.198 178.922 176.870 -0.244 0.000 1.073 444 L CA 1.296 56.044 54.840 -0.154 0.000 0.745 444 L CB -0.364 41.633 42.059 -0.103 0.000 0.894 444 L HN 0.437 nan 8.230 nan 0.000 0.432 445 C N -0.004 119.047 119.300 -0.415 0.000 2.425 445 C HA -0.161 4.295 4.460 -0.008 0.000 0.277 445 C C 2.667 177.385 174.990 -0.453 0.000 1.280 445 C CA 0.521 59.215 59.018 -0.540 0.000 1.744 445 C CB -0.758 26.277 27.740 -1.175 0.000 1.989 445 C HN 0.510 nan 8.230 nan 0.000 0.491 446 I N 1.329 121.583 120.570 -0.527 0.000 2.202 446 I HA -0.180 3.985 4.170 -0.008 0.000 0.242 446 I C 2.774 178.720 176.117 -0.285 0.000 1.091 446 I CA 1.600 62.642 61.300 -0.431 0.000 1.368 446 I CB -0.594 37.001 38.000 -0.676 0.000 1.058 446 I HN 0.256 nan 8.210 nan 0.000 0.410 447 A N 0.629 123.250 122.820 -0.331 0.000 1.933 447 A HA -0.101 4.214 4.320 -0.008 0.000 0.218 447 A C 2.187 179.791 177.584 0.032 0.000 1.175 447 A CA 1.875 53.761 52.037 -0.253 0.000 0.628 447 A CB -1.128 17.532 19.000 -0.566 0.000 0.814 447 A HN 0.481 nan 8.150 nan 0.000 0.444 448 G N -1.126 107.643 108.800 -0.052 0.000 3.371 448 G HA2 0.420 4.375 3.960 -0.008 0.000 0.248 448 G HA3 0.420 4.375 3.960 -0.008 0.000 0.248 448 G C 0.063 174.797 174.900 -0.276 0.000 1.161 448 G CA 0.464 45.420 45.100 -0.240 0.000 0.796 448 G HN 0.339 nan 8.290 nan 0.000 0.539 449 S N -0.383 115.205 115.700 -0.186 0.000 2.542 449 S HA 0.324 4.789 4.470 -0.008 0.000 0.293 449 S C 0.686 175.223 174.600 -0.105 0.000 1.089 449 S CA -0.721 57.399 58.200 -0.134 0.000 0.961 449 S CB 1.282 64.413 63.200 -0.114 0.000 1.062 449 S HN 0.504 nan 8.310 nan 0.000 0.483 450 H N -0.096 118.929 119.070 -0.075 0.000 2.548 450 H HA 0.514 5.065 4.556 -0.008 0.000 0.265 450 H C 0.111 175.415 175.328 -0.039 0.000 0.969 450 H CA 0.240 56.269 56.048 -0.033 0.000 1.155 450 H CB 0.147 29.906 29.762 -0.005 0.000 1.394 450 H HN 0.512 nan 8.280 nan 0.000 0.570 451 A N 0.889 123.394 122.820 -0.524 0.000 2.488 451 A HA 0.559 4.875 4.320 -0.008 0.000 0.298 451 A C -1.471 175.913 177.584 -0.333 0.000 1.044 451 A CA -0.568 51.217 52.037 -0.419 0.000 0.693 451 A CB 2.221 20.936 19.000 -0.475 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.122 123.817 119.914 -0.366 0.000 2.577 452 V HA 0.532 4.648 4.120 -0.008 0.000 0.303 452 V C -0.812 175.128 176.094 -0.257 0.000 1.042 452 V CA -0.764 61.338 62.300 -0.330 0.000 0.872 452 V CB 1.837 33.359 31.823 -0.503 0.000 0.998 452 V HN 1.030 nan 8.190 nan 0.000 0.423 453 N N 3.085 121.642 118.700 -0.239 0.000 2.262 453 N HA 0.634 5.369 4.740 -0.008 0.000 0.295 453 N C -0.263 175.155 175.510 -0.153 0.000 1.161 453 N CA -0.385 52.559 53.050 -0.176 0.000 0.767 453 N CB 2.914 41.258 38.487 -0.239 0.000 1.499 453 N HN 0.634 nan 8.380 nan 0.000 0.476 454 G N -0.861 107.883 108.800 -0.094 0.000 2.531 454 G HA2 0.425 4.380 3.960 -0.008 0.000 0.313 454 G HA3 0.425 4.380 3.960 -0.008 0.000 0.313 454 G C 0.705 175.675 174.900 0.116 0.000 1.238 454 G CA -0.521 44.572 45.100 -0.012 0.000 0.994 454 G HN 0.623 nan 8.290 nan 0.000 0.493 455 V N -3.627 116.482 119.914 0.325 0.000 3.319 455 V HA 0.695 4.810 4.120 -0.008 0.000 0.317 455 V C 0.523 176.702 176.094 0.143 0.000 1.411 455 V CA 0.291 62.683 62.300 0.153 0.000 1.112 455 V CB -0.823 31.046 31.823 0.077 0.000 1.031 455 V HN 1.361 nan 8.190 nan 0.000 0.448 456 A N -0.081 122.833 122.820 0.156 0.000 2.594 456 A HA 0.623 4.938 4.320 -0.008 0.000 0.296 456 A C 0.673 178.308 177.584 0.085 0.000 1.056 456 A CA -0.099 52.007 52.037 0.114 0.000 0.693 456 A CB 1.158 20.216 19.000 0.096 0.000 1.278 456 A HN 0.042 nan 8.150 nan 0.000 0.408 457 R N 0.973 121.501 120.500 0.047 0.000 2.094 457 R HA -0.169 4.166 4.340 -0.008 0.000 0.239 457 R C 1.682 177.978 176.300 -0.006 0.000 1.137 457 R CA 2.332 58.436 56.100 0.007 0.000 0.943 457 R CB -0.240 30.059 30.300 -0.002 0.000 0.850 457 R HN 0.833 nan 8.270 nan 0.000 0.433 458 I N 0.310 120.886 120.570 0.010 0.000 2.361 458 I HA -0.286 3.879 4.170 -0.008 0.000 0.251 458 I C 2.318 178.442 176.117 0.012 0.000 1.133 458 I CA 1.832 63.129 61.300 -0.005 0.000 1.413 458 I CB -0.226 37.771 38.000 -0.006 0.000 1.073 458 I HN 0.357 nan 8.210 nan 0.000 0.424 459 H N 0.301 119.339 119.070 -0.054 0.000 2.326 459 H HA -0.105 4.446 4.556 -0.008 0.000 0.301 459 H C 2.268 177.553 175.328 -0.072 0.000 1.081 459 H CA 2.177 58.187 56.048 -0.063 0.000 1.334 459 H CB -0.321 29.412 29.762 -0.048 0.000 1.385 459 H HN 0.227 nan 8.280 nan 0.000 0.504 460 S N 0.376 115.946 115.700 -0.216 0.000 2.382 460 S HA -0.131 4.334 4.470 -0.008 0.000 0.228 460 S C 1.900 176.362 174.600 -0.230 0.000 1.027 460 S CA 1.253 59.297 58.200 -0.260 0.000 0.991 460 S CB -0.092 63.036 63.200 -0.120 0.000 0.823 460 S HN 0.478 nan 8.310 nan 0.000 0.469 461 E N 1.112 121.206 120.200 -0.177 0.000 2.072 461 E HA 0.014 4.359 4.350 -0.008 0.000 0.191 461 E C 2.021 178.495 176.600 -0.211 0.000 0.985 461 E CA 0.594 56.881 56.400 -0.189 0.000 0.801 461 E CB -0.350 29.273 29.700 -0.128 0.000 0.750 461 E HN 0.501 nan 8.360 nan 0.000 0.452 462 I N 0.983 121.443 120.570 -0.182 0.000 2.264 462 I HA -0.280 3.885 4.170 -0.008 0.000 0.248 462 I C 2.375 178.348 176.117 -0.241 0.000 1.111 462 I CA 0.802 61.998 61.300 -0.173 0.000 1.382 462 I CB -0.233 37.699 38.000 -0.114 0.000 1.060 462 I HN 0.076 nan 8.210 nan 0.000 0.418 463 L N 0.364 121.398 121.223 -0.316 0.000 2.042 463 L HA -0.240 4.096 4.340 -0.008 0.000 0.210 463 L C 2.500 179.201 176.870 -0.282 0.000 1.076 463 L CA 1.605 56.247 54.840 -0.330 0.000 0.749 463 L CB -0.582 41.337 42.059 -0.233 0.000 0.893 463 L HN 0.212 nan 8.230 nan 0.000 0.432 464 K N -0.086 120.087 120.400 -0.379 0.000 2.155 464 K HA -0.115 4.201 4.320 -0.008 0.000 0.203 464 K C 2.094 178.486 176.600 -0.346 0.000 1.052 464 K CA 0.959 56.900 56.287 -0.577 0.000 0.948 464 K CB 0.058 31.974 32.500 -0.974 0.000 0.728 464 K HN 0.238 nan 8.250 nan 0.000 0.448 465 K N -0.030 120.220 120.400 -0.250 0.000 2.211 465 K HA -0.036 4.279 4.320 -0.008 0.000 0.201 465 K C 1.894 178.432 176.600 -0.102 0.000 1.052 465 K CA 1.437 57.636 56.287 -0.147 0.000 0.973 465 K CB 0.398 32.821 32.500 -0.127 0.000 0.766 465 K HN 0.276 nan 8.250 nan 0.000 0.466 466 T N -1.341 113.139 114.554 -0.124 0.000 3.330 466 T HA 0.055 4.400 4.350 -0.008 0.000 0.185 466 T C 1.640 176.286 174.700 -0.089 0.000 0.874 466 T CA -0.329 61.714 62.100 -0.095 0.000 1.268 466 T CB -0.724 68.083 68.868 -0.103 0.000 1.866 466 T HN -0.095 nan 8.240 nan 0.000 0.395 467 I N 1.358 121.815 120.570 -0.189 0.000 2.143 467 I HA -0.090 4.075 4.170 -0.008 0.000 0.245 467 I C 1.137 177.220 176.117 -0.058 0.000 1.068 467 I CA 1.727 62.863 61.300 -0.272 0.000 1.326 467 I CB -0.362 37.235 38.000 -0.672 0.000 1.028 467 I HN 0.525 nan 8.210 nan 0.000 0.412 468 F N -0.627 119.378 119.950 0.092 0.000 2.791 468 F HA 0.207 4.729 4.527 -0.008 0.000 0.308 468 F C 1.788 177.654 175.800 0.110 0.000 1.138 468 F CA -0.510 57.617 58.000 0.213 0.000 1.294 468 F CB -0.115 38.993 39.000 0.181 0.000 0.975 468 F HN -0.091 nan 8.300 nan 0.000 0.512 469 K N 1.075 121.577 120.400 0.169 0.000 2.044 469 K HA -0.219 4.096 4.320 -0.008 0.000 0.210 469 K C 1.337 177.988 176.600 0.085 0.000 1.049 469 K CA 2.232 58.566 56.287 0.079 0.000 0.927 469 K CB -0.003 32.510 32.500 0.022 0.000 0.713 469 K HN 0.187 nan 8.250 nan 0.000 0.443 470 D N -0.125 120.296 120.400 0.034 0.000 2.117 470 D HA -0.165 4.470 4.640 -0.008 0.000 0.197 470 D C 1.839 178.053 176.300 -0.145 0.000 0.987 470 D CA 1.270 55.164 54.000 -0.176 0.000 0.829 470 D CB -0.315 40.269 40.800 -0.360 0.000 0.961 470 D HN 0.251 nan 8.370 nan 0.000 0.460 471 F N -0.077 119.956 119.950 0.139 0.000 2.186 471 F HA -0.143 4.380 4.527 -0.008 0.000 0.299 471 F C 2.347 178.335 175.800 0.313 0.000 1.090 471 F CA 0.485 58.654 58.000 0.282 0.000 1.307 471 F CB -0.654 38.575 39.000 0.383 0.000 1.019 471 F HN -0.034 nan 8.300 nan 0.000 0.489 472 Y N 1.341 121.657 120.300 0.026 0.000 2.224 472 Y HA -0.184 4.362 4.550 -0.008 0.000 0.289 472 Y C 2.126 178.053 175.900 0.046 0.000 1.146 472 Y CA 1.558 59.513 58.100 -0.242 0.000 1.182 472 Y CB -0.640 37.476 38.460 -0.573 0.000 0.983 472 Y HN 0.133 nan 8.280 nan 0.000 0.524 473 E N -0.437 119.721 120.200 -0.070 0.000 2.106 473 E HA -0.197 4.148 4.350 -0.008 0.000 0.192 473 E C 2.005 178.670 176.600 0.108 0.000 0.984 473 E CA 1.231 57.597 56.400 -0.057 0.000 0.806 473 E CB -0.276 29.430 29.700 0.010 0.000 0.750 473 E HN 0.431 nan 8.360 nan 0.000 0.458 474 L N 0.924 122.262 121.223 0.193 0.000 2.095 474 L HA -0.046 4.290 4.340 -0.008 0.000 0.204 474 L C 0.184 177.153 176.870 0.165 0.000 1.080 474 L CA 1.662 56.643 54.840 0.236 0.000 0.759 474 L CB 0.368 42.573 42.059 0.243 0.000 0.914 474 L HN -0.100 nan 8.230 nan 0.000 0.439 475 E N -0.011 120.287 120.200 0.163 0.000 3.386 475 E HA 0.182 4.527 4.350 -0.008 0.000 0.236 475 E C -2.021 174.537 176.600 -0.070 0.000 1.227 475 E CA -1.224 55.179 56.400 0.005 0.000 0.970 475 E CB 0.820 30.495 29.700 -0.040 0.000 1.343 475 E HN 0.185 nan 8.360 nan 0.000 0.397 476 P HA -0.255 nan 4.420 nan 0.000 0.218 476 P C 1.231 178.638 177.300 0.178 0.000 1.148 476 P CA 1.432 64.486 63.100 -0.076 0.000 0.822 476 P CB -0.032 31.486 31.700 -0.302 0.000 0.784 477 H N 0.483 119.655 119.070 0.169 0.000 2.457 477 H HA 0.008 4.559 4.556 -0.008 0.000 0.297 477 H C 1.537 176.939 175.328 0.122 0.000 1.092 477 H CA 0.948 57.079 56.048 0.138 0.000 1.309 477 H CB -0.842 28.973 29.762 0.089 0.000 1.382 477 H HN 0.169 nan 8.280 nan 0.000 0.535 478 K N 0.366 120.607 120.400 -0.266 0.000 2.148 478 K HA 0.002 4.317 4.320 -0.008 0.000 0.204 478 K C -0.024 176.386 176.600 -0.317 0.000 1.050 478 K CA 0.382 56.494 56.287 -0.292 0.000 0.942 478 K CB -0.003 32.178 32.500 -0.531 0.000 0.724 478 K HN 0.109 nan 8.250 nan 0.000 0.446 479 F N 1.916 121.895 119.950 0.047 0.000 2.445 479 F HA 0.136 4.658 4.527 -0.008 0.000 0.359 479 F C 0.567 176.370 175.800 0.004 0.000 1.101 479 F CA 0.007 58.037 58.000 0.051 0.000 1.177 479 F CB 0.751 39.837 39.000 0.143 0.000 1.110 479 F HN -0.064 nan 8.300 nan 0.000 0.522 480 Q N 1.737 121.569 119.800 0.054 0.000 2.683 480 Q HA 0.389 4.724 4.340 -0.008 0.000 0.302 480 Q C -1.153 174.806 176.000 -0.068 0.000 1.042 480 Q CA -1.295 54.491 55.803 -0.028 0.000 0.773 480 Q CB 3.030 31.698 28.738 -0.118 0.000 1.508 480 Q HN 0.632 nan 8.270 nan 0.000 0.459 481 N N 0.465 119.103 118.700 -0.103 0.000 2.238 481 N HA 0.302 5.037 4.740 -0.008 0.000 0.302 481 N C -1.557 173.853 175.510 -0.168 0.000 1.072 481 N CA -0.412 52.575 53.050 -0.105 0.000 0.792 481 N CB 1.209 39.657 38.487 -0.065 0.000 1.425 481 N HN 0.283 nan 8.380 nan 0.000 0.478 482 K N 2.588 122.895 120.400 -0.155 0.000 2.803 482 K HA 0.174 4.490 4.320 -0.008 0.000 0.229 482 K C -1.061 175.549 176.600 0.017 0.000 1.084 482 K CA -0.463 55.708 56.287 -0.193 0.000 1.063 482 K CB 1.118 33.278 32.500 -0.566 0.000 1.254 482 K HN 0.554 nan 8.250 nan 0.000 0.551 483 T N 2.054 116.635 114.554 0.044 0.000 2.908 483 T HA 0.052 4.397 4.350 -0.008 0.000 0.301 483 T C 0.819 175.648 174.700 0.214 0.000 1.019 483 T CA 0.397 62.574 62.100 0.128 0.000 1.152 483 T CB 0.226 69.168 68.868 0.124 0.000 0.966 483 T HN 0.347 nan 8.240 nan 0.000 0.540 484 N N 0.723 119.574 118.700 0.252 0.000 2.267 484 N HA 0.382 5.117 4.740 -0.008 0.000 0.226 484 N C 0.529 176.229 175.510 0.317 0.000 1.314 484 N CA -0.120 53.115 53.050 0.308 0.000 0.887 484 N CB 0.359 38.968 38.487 0.204 0.000 1.120 484 N HN 0.761 nan 8.380 nan 0.000 0.440 485 G N -0.782 108.213 108.800 0.325 0.000 2.645 485 G HA2 0.606 4.561 3.960 -0.008 0.000 0.292 485 G HA3 0.606 4.561 3.960 -0.008 0.000 0.292 485 G C -1.445 173.592 174.900 0.228 0.000 1.415 485 G CA -0.744 44.532 45.100 0.293 0.000 0.785 485 G HN 0.601 nan 8.290 nan 0.000 0.483 486 I N -2.462 118.230 120.570 0.203 0.000 2.828 486 I HA 0.749 4.914 4.170 -0.008 0.000 0.302 486 I C -0.362 175.916 176.117 0.268 0.000 1.101 486 I CA -0.946 60.468 61.300 0.190 0.000 1.031 486 I CB 2.434 40.443 38.000 0.016 0.000 1.231 486 I HN 0.505 nan 8.210 nan 0.000 0.427 487 T N 4.271 119.039 114.554 0.356 0.000 2.761 487 T HA 0.358 4.703 4.350 -0.008 0.000 0.296 487 T C -1.355 173.463 174.700 0.197 0.000 0.934 487 T CA -1.669 60.562 62.100 0.219 0.000 1.091 487 T CB 0.783 69.727 68.868 0.127 0.000 0.896 487 T HN 0.640 nan 8.240 nan 0.000 0.515 488 P HA 0.013 nan 4.420 nan 0.000 0.230 488 P C 1.067 178.334 177.300 -0.055 0.000 1.158 488 P CA 0.366 63.502 63.100 0.061 0.000 0.769 488 P CB 0.396 32.116 31.700 0.034 0.000 0.807 489 R N 0.483 120.904 120.500 -0.131 0.000 2.056 489 R HA 0.015 4.351 4.340 -0.008 0.000 0.227 489 R C 2.731 178.910 176.300 -0.202 0.000 1.149 489 R CA 1.536 57.516 56.100 -0.201 0.000 0.937 489 R CB -1.237 28.950 30.300 -0.189 0.000 0.835 489 R HN 0.045 nan 8.270 nan 0.000 0.430 490 R N -0.785 119.539 120.500 -0.294 0.000 2.075 490 R HA -0.113 4.222 4.340 -0.008 0.000 0.232 490 R C 1.034 176.952 176.300 -0.638 0.000 1.126 490 R CA 1.560 57.330 56.100 -0.550 0.000 0.963 490 R CB -0.168 29.634 30.300 -0.831 0.000 0.858 490 R HN 0.289 nan 8.270 nan 0.000 0.435 491 W N -0.049 121.209 121.300 -0.071 0.000 3.405 491 W HA 0.140 4.795 4.660 -0.009 0.000 0.300 491 W C 0.907 177.396 176.519 -0.050 0.000 1.286 491 W CA -0.658 56.644 57.345 -0.071 0.000 1.762 491 W CB 0.378 29.800 29.460 -0.062 0.000 1.087 491 W HN 0.230 nan 8.180 nan 0.000 0.703 492 L N -2.386 118.882 121.223 0.074 0.000 2.604 492 L HA 0.173 4.509 4.340 -0.008 0.000 0.150 492 L C 1.765 178.648 176.870 0.021 0.000 1.292 492 L CA 0.723 55.608 54.840 0.076 0.000 0.977 492 L CB -0.877 41.255 42.059 0.122 0.000 1.943 492 L HN -0.263 nan 8.230 nan 0.000 0.508 493 V N 1.301 121.207 119.914 -0.014 0.000 2.287 493 V HA -0.287 3.829 4.120 -0.008 0.000 0.248 493 V C 2.461 178.525 176.094 -0.050 0.000 1.053 493 V CA 2.576 64.858 62.300 -0.030 0.000 1.027 493 V CB -0.688 31.087 31.823 -0.080 0.000 0.646 493 V HN 0.520 nan 8.190 nan 0.000 0.447 494 L N 0.356 121.518 121.223 -0.101 0.000 2.044 494 L HA -0.162 4.174 4.340 -0.008 0.000 0.205 494 L C 2.444 179.245 176.870 -0.116 0.000 1.075 494 L CA 2.242 57.007 54.840 -0.124 0.000 0.747 494 L CB -0.206 41.731 42.059 -0.202 0.000 0.903 494 L HN 0.662 nan 8.230 nan 0.000 0.435 495 C N -1.838 117.385 119.300 -0.128 0.000 2.563 495 C HA 0.217 4.672 4.460 -0.008 0.000 0.268 495 C C 1.182 176.150 174.990 -0.036 0.000 1.365 495 C CA -0.331 58.630 59.018 -0.094 0.000 1.754 495 C CB -0.946 26.731 27.740 -0.105 0.000 1.932 495 C HN 0.578 nan 8.230 nan 0.000 0.536 496 N N 1.241 119.932 118.700 -0.015 0.000 2.703 496 N HA 0.271 5.007 4.740 -0.008 0.000 0.283 496 N C -1.668 173.852 175.510 0.016 0.000 1.851 496 N CA -1.565 51.488 53.050 0.006 0.000 0.826 496 N CB 0.766 39.265 38.487 0.021 0.000 1.239 496 N HN 0.269 nan 8.380 nan 0.000 0.495 497 P HA -0.070 nan 4.420 nan 0.000 0.218 497 P C 1.393 178.708 177.300 0.026 0.000 1.148 497 P CA 0.985 64.096 63.100 0.018 0.000 0.822 497 P CB 0.226 31.930 31.700 0.006 0.000 0.784 498 G N 0.567 109.377 108.800 0.016 0.000 2.440 498 G HA2 -0.245 3.711 3.960 -0.008 0.000 0.218 498 G HA3 -0.245 3.711 3.960 -0.008 0.000 0.218 498 G C 1.535 176.443 174.900 0.013 0.000 1.154 498 G CA 0.696 45.803 45.100 0.011 0.000 0.767 498 G HN 0.271 nan 8.290 nan 0.000 0.552 499 L N 1.082 122.315 121.223 0.016 0.000 2.109 499 L HA 0.340 4.675 4.340 -0.008 0.000 0.207 499 L C 2.993 179.895 176.870 0.052 0.000 1.086 499 L CA 1.875 56.723 54.840 0.014 0.000 0.760 499 L CB -0.606 41.461 42.059 0.013 0.000 0.910 499 L HN 0.205 nan 8.230 nan 0.000 0.437 500 A N -0.734 122.139 122.820 0.088 0.000 1.972 500 A HA -0.221 4.094 4.320 -0.008 0.000 0.219 500 A C 2.204 179.889 177.584 0.168 0.000 1.169 500 A CA 1.672 53.815 52.037 0.178 0.000 0.635 500 A CB -0.590 18.509 19.000 0.165 0.000 0.810 500 A HN 0.541 nan 8.150 nan 0.000 0.446 501 E N 0.890 121.148 120.200 0.097 0.000 2.015 501 E HA -0.170 4.175 4.350 -0.008 0.000 0.191 501 E C 1.868 178.510 176.600 0.070 0.000 0.991 501 E CA 1.687 58.134 56.400 0.077 0.000 0.802 501 E CB -0.559 29.168 29.700 0.045 0.000 0.759 501 E HN 0.713 nan 8.360 nan 0.000 0.447 502 I N -1.420 119.185 120.570 0.058 0.000 2.423 502 I HA -0.181 3.984 4.170 -0.008 0.000 0.254 502 I C 2.194 178.388 176.117 0.129 0.000 1.151 502 I CA 1.268 62.616 61.300 0.081 0.000 1.421 502 I CB -0.393 37.637 38.000 0.051 0.000 1.079 502 I HN 0.053 nan 8.210 nan 0.000 0.431 503 I N 1.832 122.455 120.570 0.088 0.000 2.286 503 I HA -0.174 3.991 4.170 -0.008 0.000 0.245 503 I C 3.023 179.097 176.117 -0.072 0.000 1.104 503 I CA 1.256 62.541 61.300 -0.024 0.000 1.397 503 I CB -0.459 37.412 38.000 -0.214 0.000 1.072 503 I HN 0.303 nan 8.210 nan 0.000 0.417 504 A N 0.483 123.349 122.820 0.078 0.000 1.933 504 A HA -0.224 4.091 4.320 -0.008 0.000 0.218 504 A C 2.139 179.755 177.584 0.053 0.000 1.175 504 A CA 1.569 53.702 52.037 0.161 0.000 0.628 504 A CB -0.593 18.535 19.000 0.212 0.000 0.814 504 A HN 0.439 nan 8.150 nan 0.000 0.444 505 E N -0.714 119.498 120.200 0.020 0.000 2.209 505 E HA -0.198 4.148 4.350 -0.008 0.000 0.196 505 E C 2.193 178.751 176.600 -0.071 0.000 0.993 505 E CA 1.057 57.451 56.400 -0.010 0.000 0.819 505 E CB -0.042 29.657 29.700 -0.002 0.000 0.745 505 E HN 0.486 nan 8.360 nan 0.000 0.477 506 R N 0.138 120.540 120.500 -0.163 0.000 2.087 506 R HA 0.096 4.431 4.340 -0.008 0.000 0.213 506 R C 2.348 178.561 176.300 -0.145 0.000 1.137 506 R CA 0.839 56.755 56.100 -0.307 0.000 1.022 506 R CB -0.252 29.546 30.300 -0.836 0.000 0.920 506 R HN 0.290 nan 8.270 nan 0.000 0.451 507 I N -2.410 118.096 120.570 -0.107 0.000 4.025 507 I HA 0.425 4.590 4.170 -0.008 0.000 0.336 507 I C 0.409 176.569 176.117 0.072 0.000 1.390 507 I CA 0.077 61.375 61.300 -0.003 0.000 1.099 507 I CB 0.652 38.641 38.000 -0.018 0.000 1.049 507 I HN 0.195 nan 8.210 nan 0.000 0.394 508 G N 2.133 110.985 108.800 0.087 0.000 2.660 508 G HA2 -0.211 3.744 3.960 -0.008 0.000 0.247 508 G HA3 -0.211 3.744 3.960 -0.008 0.000 0.247 508 G C -0.052 174.989 174.900 0.235 0.000 1.328 508 G CA 0.149 45.324 45.100 0.126 0.000 0.884 508 G HN 0.450 nan 8.290 nan 0.000 0.531 509 E N -0.049 120.238 120.200 0.145 0.000 2.460 509 E HA 0.126 4.471 4.350 -0.008 0.000 0.200 509 E C 1.920 178.479 176.600 -0.069 0.000 1.011 509 E CA 0.586 57.014 56.400 0.047 0.000 0.912 509 E CB 0.244 29.958 29.700 0.023 0.000 0.953 509 E HN 0.549 nan 8.360 nan 0.000 0.494 510 E N 0.544 120.771 120.200 0.044 0.000 2.273 510 E HA -0.227 4.119 4.350 -0.008 0.000 0.198 510 E C 1.579 178.178 176.600 -0.001 0.000 1.002 510 E CA 1.108 57.525 56.400 0.028 0.000 0.828 510 E CB -0.466 29.272 29.700 0.063 0.000 0.747 510 E HN 0.556 nan 8.360 nan 0.000 0.491 511 Y N -0.920 119.389 120.300 0.014 0.000 2.352 511 Y HA -0.029 4.518 4.550 -0.006 0.000 0.292 511 Y C 1.728 177.608 175.900 -0.033 0.000 1.136 511 Y CA 0.581 58.680 58.100 -0.001 0.000 1.227 511 Y CB -0.584 37.880 38.460 0.007 0.000 0.991 511 Y HN -0.028 nan 8.280 nan 0.000 0.545 512 I N 1.020 121.081 120.570 -0.849 0.000 2.423 512 I HA -0.257 3.909 4.170 -0.008 0.000 0.254 512 I C 1.583 177.437 176.117 -0.437 0.000 1.151 512 I CA 1.890 62.759 61.300 -0.718 0.000 1.421 512 I CB -0.409 37.082 38.000 -0.848 0.000 1.079 512 I HN 0.478 nan 8.210 nan 0.000 0.431 513 S N -2.101 113.451 115.700 -0.247 0.000 2.663 513 S HA 0.177 4.642 4.470 -0.008 0.000 0.243 513 S C 0.182 174.765 174.600 -0.029 0.000 1.009 513 S CA -0.476 57.659 58.200 -0.108 0.000 0.988 513 S CB 0.380 63.593 63.200 0.022 0.000 0.896 513 S HN 0.296 nan 8.310 nan 0.000 0.502 514 D N 0.851 121.243 120.400 -0.014 0.000 3.118 514 D HA 0.229 4.864 4.640 -0.008 0.000 0.259 514 D C 0.682 177.027 176.300 0.074 0.000 1.292 514 D CA -0.341 53.677 54.000 0.030 0.000 0.784 514 D CB -0.187 40.636 40.800 0.039 0.000 1.413 514 D HN 0.131 nan 8.370 nan 0.000 0.583 515 L N 0.364 121.632 121.223 0.074 0.000 2.263 515 L HA -0.152 4.184 4.340 -0.008 0.000 0.216 515 L C 1.103 178.029 176.870 0.094 0.000 1.111 515 L CA 1.195 56.109 54.840 0.124 0.000 0.773 515 L CB 0.049 42.170 42.059 0.104 0.000 0.906 515 L HN 0.307 nan 8.230 nan 0.000 0.439 516 D N -0.413 120.018 120.400 0.052 0.000 2.265 516 D HA -0.211 4.425 4.640 -0.008 0.000 0.208 516 D C 2.012 178.337 176.300 0.041 0.000 0.977 516 D CA 0.886 54.903 54.000 0.027 0.000 0.871 516 D CB 0.001 40.804 40.800 0.005 0.000 0.925 516 D HN 0.517 nan 8.370 nan 0.000 0.485 517 Q N -0.009 119.834 119.800 0.072 0.000 2.364 517 Q HA -0.029 4.306 4.340 -0.008 0.000 0.207 517 Q C 2.244 178.269 176.000 0.041 0.000 0.970 517 Q CA 0.183 56.028 55.803 0.071 0.000 0.888 517 Q CB 0.045 28.855 28.738 0.119 0.000 0.951 517 Q HN 0.382 nan 8.270 nan 0.000 0.469 518 L N 0.246 121.489 121.223 0.033 0.000 2.349 518 L HA -0.193 4.142 4.340 -0.008 0.000 0.220 518 L C 2.291 179.163 176.870 0.005 0.000 1.130 518 L CA 0.597 55.424 54.840 -0.022 0.000 0.791 518 L CB -0.384 41.676 42.059 0.001 0.000 0.918 518 L HN 0.211 nan 8.230 nan 0.000 0.444 519 R N 0.798 121.308 120.500 0.017 0.000 2.103 519 R HA -0.190 4.145 4.340 -0.008 0.000 0.242 519 R C 2.051 178.357 176.300 0.010 0.000 1.142 519 R CA 1.307 57.416 56.100 0.015 0.000 0.960 519 R CB -0.476 29.828 30.300 0.007 0.000 0.858 519 R HN 0.440 nan 8.270 nan 0.000 0.439 520 K N 0.686 121.092 120.400 0.011 0.000 2.286 520 K HA -0.115 4.200 4.320 -0.008 0.000 0.203 520 K C 2.021 178.654 176.600 0.055 0.000 1.045 520 K CA 0.872 57.168 56.287 0.016 0.000 0.935 520 K CB -0.213 32.308 32.500 0.035 0.000 0.737 520 K HN 0.218 nan 8.250 nan 0.000 0.460 521 L N 0.510 121.767 121.223 0.057 0.000 2.465 521 L HA -0.135 4.200 4.340 -0.008 0.000 0.224 521 L C 1.911 178.847 176.870 0.109 0.000 1.145 521 L CA 0.034 54.936 54.840 0.103 0.000 0.834 521 L CB -0.234 41.858 42.059 0.055 0.000 0.944 521 L HN 0.129 nan 8.230 nan 0.000 0.451 522 L N 0.041 121.288 121.223 0.042 0.000 2.131 522 L HA -0.174 4.161 4.340 -0.008 0.000 0.210 522 L C 2.648 179.492 176.870 -0.043 0.000 1.092 522 L CA 1.877 56.727 54.840 0.016 0.000 0.759 522 L CB -0.784 41.273 42.059 -0.003 0.000 0.903 522 L HN 0.337 nan 8.230 nan 0.000 0.435 523 S N -2.781 112.825 115.700 -0.155 0.000 2.660 523 S HA -0.049 4.417 4.470 -0.008 0.000 0.223 523 S C 1.079 175.397 174.600 -0.471 0.000 0.963 523 S CA 0.151 58.162 58.200 -0.316 0.000 0.932 523 S CB -0.500 62.449 63.200 -0.419 0.000 0.775 523 S HN 0.438 nan 8.310 nan 0.000 0.531 524 Y N -0.443 119.793 120.300 -0.107 0.000 2.557 524 Y HA 0.433 4.980 4.550 -0.004 0.000 0.247 524 Y C 1.843 177.780 175.900 0.062 0.000 1.164 524 Y CA -0.747 57.282 58.100 -0.117 0.000 1.218 524 Y CB 0.139 38.314 38.460 -0.475 0.000 1.210 524 Y HN 0.261 nan 8.280 nan 0.000 0.529 525 V N 0.367 120.374 119.914 0.155 0.000 2.720 525 V HA -0.201 3.914 4.120 -0.008 0.000 0.256 525 V C 0.877 177.044 176.094 0.122 0.000 1.082 525 V CA 2.228 64.620 62.300 0.154 0.000 1.101 525 V CB 0.013 31.885 31.823 0.082 0.000 0.693 525 V HN 0.324 nan 8.190 nan 0.000 0.479 526 D N -0.785 119.669 120.400 0.090 0.000 2.431 526 D HA 0.129 4.764 4.640 -0.008 0.000 0.213 526 D C 0.298 176.652 176.300 0.090 0.000 1.130 526 D CA -0.037 54.004 54.000 0.069 0.000 0.834 526 D CB 0.130 40.947 40.800 0.029 0.000 0.985 526 D HN 0.429 nan 8.370 nan 0.000 0.504 527 D N 1.491 121.981 120.400 0.150 0.000 2.338 527 D HA -0.030 4.605 4.640 -0.008 0.000 0.255 527 D C 1.240 177.646 176.300 0.176 0.000 1.237 527 D CA 0.012 54.120 54.000 0.181 0.000 0.883 527 D CB 1.573 42.551 40.800 0.298 0.000 1.087 527 D HN -0.213 nan 8.370 nan 0.000 0.485 528 E N 3.474 123.744 120.200 0.115 0.000 2.118 528 E HA -0.160 4.185 4.350 -0.008 0.000 0.195 528 E C 1.687 178.342 176.600 0.091 0.000 0.992 528 E CA 1.548 58.000 56.400 0.086 0.000 0.804 528 E CB -0.101 29.633 29.700 0.057 0.000 0.741 528 E HN 0.584 nan 8.360 nan 0.000 0.458 529 A N -0.377 122.510 122.820 0.112 0.000 1.873 529 A HA -0.125 4.190 4.320 -0.008 0.000 0.215 529 A C 2.275 179.941 177.584 0.136 0.000 1.186 529 A CA 1.299 53.397 52.037 0.102 0.000 0.616 529 A CB -0.985 18.075 19.000 0.101 0.000 0.823 529 A HN 0.431 nan 8.150 nan 0.000 0.442 530 F N 0.420 120.375 119.950 0.009 0.000 2.102 530 F HA -0.167 4.356 4.527 -0.006 0.000 0.298 530 F C 2.100 177.901 175.800 0.003 0.000 1.105 530 F CA 1.650 59.641 58.000 -0.015 0.000 1.239 530 F CB -0.114 38.885 39.000 -0.003 0.000 0.991 530 F HN 0.159 nan 8.300 nan 0.000 0.474 531 I N 0.133 120.736 120.570 0.057 0.000 2.151 531 I HA -0.374 3.792 4.170 -0.008 0.000 0.243 531 I C 2.560 178.626 176.117 -0.085 0.000 1.080 531 I CA 1.701 62.979 61.300 -0.036 0.000 1.339 531 I CB -0.508 37.517 38.000 0.041 0.000 1.039 531 I HN 0.116 nan 8.210 nan 0.000 0.409 532 R N 0.893 121.368 120.500 -0.042 0.000 2.081 532 R HA -0.190 4.146 4.340 -0.008 0.000 0.235 532 R C 1.897 178.147 176.300 -0.084 0.000 1.131 532 R CA 1.885 57.957 56.100 -0.046 0.000 0.960 532 R CB -0.117 30.174 30.300 -0.014 0.000 0.856 532 R HN 0.315 nan 8.270 nan 0.000 0.436 533 D N -0.384 119.945 120.400 -0.118 0.000 2.097 533 D HA -0.119 4.516 4.640 -0.008 0.000 0.197 533 D C 1.971 178.141 176.300 -0.216 0.000 0.984 533 D CA 1.261 55.175 54.000 -0.144 0.000 0.826 533 D CB -0.299 40.427 40.800 -0.124 0.000 0.973 533 D HN 0.073 nan 8.370 nan 0.000 0.460 534 V N 1.718 121.404 119.914 -0.381 0.000 2.282 534 V HA -0.292 3.823 4.120 -0.008 0.000 0.249 534 V C 2.546 178.542 176.094 -0.162 0.000 1.057 534 V CA 2.080 64.171 62.300 -0.347 0.000 1.032 534 V CB -0.821 30.731 31.823 -0.451 0.000 0.645 534 V HN 0.201 nan 8.190 nan 0.000 0.447 535 A N -0.823 121.922 122.820 -0.124 0.000 1.969 535 A HA -0.240 4.075 4.320 -0.008 0.000 0.218 535 A C 2.346 179.890 177.584 -0.066 0.000 1.169 535 A CA 2.038 54.036 52.037 -0.066 0.000 0.635 535 A CB -0.442 18.525 19.000 -0.056 0.000 0.810 535 A HN 0.544 nan 8.150 nan 0.000 0.445 536 K N -0.256 120.100 120.400 -0.074 0.000 2.025 536 K HA -0.070 4.245 4.320 -0.008 0.000 0.207 536 K C 1.837 178.407 176.600 -0.049 0.000 1.049 536 K CA 1.478 57.731 56.287 -0.056 0.000 0.933 536 K CB -0.257 32.213 32.500 -0.051 0.000 0.714 536 K HN 0.214 nan 8.250 nan 0.000 0.438 537 V N 1.862 121.741 119.914 -0.058 0.000 2.287 537 V HA -0.269 3.846 4.120 -0.008 0.000 0.248 537 V C 2.384 178.460 176.094 -0.029 0.000 1.053 537 V CA 2.076 64.352 62.300 -0.041 0.000 1.027 537 V CB -0.489 31.303 31.823 -0.052 0.000 0.646 537 V HN 0.363 nan 8.190 nan 0.000 0.447 538 K N 0.477 120.857 120.400 -0.033 0.000 2.026 538 K HA -0.239 4.076 4.320 -0.008 0.000 0.208 538 K C 2.161 178.733 176.600 -0.046 0.000 1.048 538 K CA 1.914 58.188 56.287 -0.022 0.000 0.929 538 K CB -0.550 31.950 32.500 0.000 0.000 0.713 538 K HN 0.395 nan 8.250 nan 0.000 0.439 539 Q N 0.979 120.745 119.800 -0.057 0.000 2.084 539 Q HA -0.121 4.215 4.340 -0.008 0.000 0.202 539 Q C 1.702 177.677 176.000 -0.041 0.000 0.978 539 Q CA 2.030 57.791 55.803 -0.071 0.000 0.844 539 Q CB -0.106 28.594 28.738 -0.063 0.000 0.898 539 Q HN 0.536 nan 8.270 nan 0.000 0.426 540 E N -0.530 119.659 120.200 -0.019 0.000 2.077 540 E HA -0.154 4.191 4.350 -0.008 0.000 0.193 540 E C 1.790 178.408 176.600 0.031 0.000 0.989 540 E CA 0.957 57.360 56.400 0.006 0.000 0.800 540 E CB -0.077 29.626 29.700 0.005 0.000 0.746 540 E HN 0.404 nan 8.360 nan 0.000 0.452 541 N N 1.062 119.777 118.700 0.026 0.000 2.104 541 N HA -0.152 4.583 4.740 -0.008 0.000 0.190 541 N C 1.524 177.104 175.510 0.116 0.000 1.024 541 N CA 1.114 54.199 53.050 0.058 0.000 0.853 541 N CB -0.105 38.401 38.487 0.032 0.000 1.008 541 N HN 0.144 nan 8.380 nan 0.000 0.424 542 K N 0.568 120.998 120.400 0.050 0.000 2.057 542 K HA 0.001 4.316 4.320 -0.008 0.000 0.207 542 K C 2.142 178.851 176.600 0.182 0.000 1.049 542 K CA 0.685 57.010 56.287 0.065 0.000 0.931 542 K CB -0.176 32.106 32.500 -0.363 0.000 0.714 542 K HN 0.114 nan 8.250 nan 0.000 0.440 543 L N 1.138 122.415 121.223 0.090 0.000 2.046 543 L HA -0.176 4.159 4.340 -0.008 0.000 0.208 543 L C 2.626 179.582 176.870 0.143 0.000 1.077 543 L CA 1.118 56.019 54.840 0.102 0.000 0.747 543 L CB -0.335 41.758 42.059 0.056 0.000 0.896 543 L HN 0.111 nan 8.230 nan 0.000 0.432 544 K N -0.215 120.276 120.400 0.151 0.000 2.097 544 K HA -0.205 4.110 4.320 -0.008 0.000 0.206 544 K C 2.148 178.893 176.600 0.242 0.000 1.049 544 K CA 1.604 57.990 56.287 0.166 0.000 0.933 544 K CB -0.206 32.378 32.500 0.141 0.000 0.717 544 K HN 0.145 nan 8.250 nan 0.000 0.442 545 F N 1.085 121.123 119.950 0.146 0.000 2.234 545 F HA 0.002 4.524 4.527 -0.008 0.000 0.296 545 F C 2.033 177.966 175.800 0.222 0.000 1.089 545 F CA 1.034 59.137 58.000 0.171 0.000 1.343 545 F CB -0.344 38.755 39.000 0.165 0.000 1.040 545 F HN 0.004 nan 8.300 nan 0.000 0.498 546 A N 0.207 123.160 122.820 0.221 0.000 1.972 546 A HA -0.028 4.287 4.320 -0.008 0.000 0.219 546 A C 2.355 179.947 177.584 0.012 0.000 1.169 546 A CA 1.667 53.761 52.037 0.094 0.000 0.635 546 A CB -1.368 17.744 19.000 0.186 0.000 0.810 546 A HN 0.456 nan 8.150 nan 0.000 0.446 547 A N -1.202 121.657 122.820 0.065 0.000 1.854 547 A HA -0.012 4.303 4.320 -0.008 0.000 0.214 547 A C 2.105 179.708 177.584 0.032 0.000 1.192 547 A CA 1.450 53.521 52.037 0.057 0.000 0.611 547 A CB -0.994 18.056 19.000 0.084 0.000 0.832 547 A HN 0.756 nan 8.150 nan 0.000 0.442 548 Y N 0.249 120.499 120.300 -0.083 0.000 2.181 548 Y HA -0.250 4.295 4.550 -0.008 0.000 0.284 548 Y C 1.889 177.703 175.900 -0.143 0.000 1.179 548 Y CA 1.864 59.906 58.100 -0.097 0.000 1.179 548 Y CB -0.435 37.973 38.460 -0.086 0.000 0.973 548 Y HN 0.195 nan 8.280 nan 0.000 0.519 549 L N 0.916 122.079 121.223 -0.100 0.000 2.012 549 L HA -0.229 4.106 4.340 -0.008 0.000 0.210 549 L C 2.334 179.151 176.870 -0.088 0.000 1.073 549 L CA 2.163 56.918 54.840 -0.141 0.000 0.748 549 L CB -0.939 40.965 42.059 -0.258 0.000 0.891 549 L HN 0.359 nan 8.230 nan 0.000 0.431 550 E N -1.592 118.566 120.200 -0.070 0.000 2.208 550 E HA -0.144 4.201 4.350 -0.008 0.000 0.193 550 E C 2.296 178.850 176.600 -0.078 0.000 0.988 550 E CA 0.385 56.768 56.400 -0.028 0.000 0.828 550 E CB 0.047 29.765 29.700 0.030 0.000 0.763 550 E HN 0.425 nan 8.360 nan 0.000 0.478 551 R N 0.732 121.147 120.500 -0.143 0.000 2.055 551 R HA -0.070 4.265 4.340 -0.008 0.000 0.228 551 R C 1.732 177.870 176.300 -0.271 0.000 1.143 551 R CA 1.004 56.997 56.100 -0.177 0.000 0.945 551 R CB 0.028 30.221 30.300 -0.179 0.000 0.841 551 R HN 0.074 nan 8.270 nan 0.000 0.429 552 E N -0.742 119.180 120.200 -0.463 0.000 2.479 552 E HA -0.027 4.319 4.350 -0.008 0.000 0.193 552 E C 0.102 176.191 176.600 -0.852 0.000 1.049 552 E CA 0.594 56.606 56.400 -0.646 0.000 0.870 552 E CB 0.429 29.620 29.700 -0.848 0.000 0.944 552 E HN 0.432 nan 8.360 nan 0.000 0.492 553 Y N 0.005 120.196 120.300 -0.181 0.000 2.863 553 Y HA 0.159 4.704 4.550 -0.008 0.000 0.254 553 Y C -0.165 175.705 175.900 -0.050 0.000 1.124 553 Y CA -0.940 57.109 58.100 -0.084 0.000 1.203 553 Y CB 0.591 39.016 38.460 -0.059 0.000 1.269 553 Y HN -0.262 nan 8.280 nan 0.000 0.586 554 K N 1.115 121.531 120.400 0.027 0.000 3.777 554 K HA -0.137 4.178 4.320 -0.008 0.000 0.276 554 K C -0.609 176.032 176.600 0.067 0.000 0.877 554 K CA 0.959 57.267 56.287 0.036 0.000 0.724 554 K CB -1.671 30.846 32.500 0.029 0.000 1.589 554 K HN 0.284 nan 8.250 nan 0.000 0.444 555 V N -1.663 118.288 119.914 0.063 0.000 2.577 555 V HA 0.488 4.603 4.120 -0.008 0.000 0.303 555 V C -0.230 175.904 176.094 0.067 0.000 1.042 555 V CA -1.096 61.240 62.300 0.061 0.000 0.872 555 V CB 2.067 33.908 31.823 0.030 0.000 0.998 555 V HN 0.410 nan 8.190 nan 0.000 0.423 556 H N 5.308 124.380 119.070 0.003 0.000 2.458 556 H HA 0.855 5.407 4.556 -0.008 0.000 0.330 556 H C -0.374 174.958 175.328 0.007 0.000 1.111 556 H CA -0.225 55.828 56.048 0.009 0.000 1.245 556 H CB 1.627 31.399 29.762 0.016 0.000 1.456 556 H HN 1.015 nan 8.280 nan 0.000 0.488 557 I N 1.238 121.443 120.570 -0.608 0.000 3.095 557 I HA 0.442 4.607 4.170 -0.008 0.000 0.310 557 I C -1.063 174.826 176.117 -0.380 0.000 1.196 557 I CA -1.409 59.688 61.300 -0.339 0.000 0.985 557 I CB 2.282 40.181 38.000 -0.168 0.000 1.250 557 I HN 0.497 nan 8.210 nan 0.000 0.446 558 N N 3.603 122.247 118.700 -0.093 0.000 2.462 558 N HA 0.448 5.183 4.740 -0.008 0.000 0.242 558 N C -2.126 173.464 175.510 0.134 0.000 1.010 558 N CA -2.381 50.675 53.050 0.011 0.000 0.939 558 N CB 1.264 39.781 38.487 0.050 0.000 1.127 558 N HN 0.342 nan 8.380 nan 0.000 0.509 559 P HA -0.014 nan 4.420 nan 0.000 0.228 559 P C 0.157 177.411 177.300 -0.078 0.000 1.151 559 P CA 0.802 63.929 63.100 0.044 0.000 0.770 559 P CB 0.297 32.016 31.700 0.032 0.000 0.786 560 N N -1.285 117.413 118.700 -0.003 0.000 2.373 560 N HA 0.010 4.746 4.740 -0.008 0.000 0.181 560 N C 0.629 176.159 175.510 0.034 0.000 1.082 560 N CA 0.338 53.385 53.050 -0.005 0.000 0.885 560 N CB -0.082 38.419 38.487 0.023 0.000 0.977 560 N HN 0.219 nan 8.380 nan 0.000 0.462 561 S N 0.339 116.069 115.700 0.050 0.000 2.614 561 S HA 0.258 4.724 4.470 -0.008 0.000 0.265 561 S C 0.307 174.874 174.600 -0.054 0.000 1.303 561 S CA -0.789 57.435 58.200 0.039 0.000 1.000 561 S CB 1.220 64.467 63.200 0.078 0.000 0.935 561 S HN 0.214 nan 8.310 nan 0.000 0.551 562 L N 1.868 122.906 121.223 -0.309 0.000 2.360 562 L HA 0.371 4.706 4.340 -0.008 0.000 0.276 562 L C -0.880 175.956 176.870 -0.057 0.000 1.121 562 L CA -0.551 53.892 54.840 -0.662 0.000 0.845 562 L CB -0.115 41.254 42.059 -1.151 0.000 1.143 562 L HN 0.717 nan 8.230 nan 0.000 0.452 563 F N 4.214 124.016 119.950 -0.247 0.000 2.423 563 F HA 0.099 4.622 4.527 -0.007 0.000 0.356 563 F C 0.415 176.138 175.800 -0.128 0.000 1.170 563 F CA -0.840 57.085 58.000 -0.126 0.000 1.163 563 F CB 0.551 39.523 39.000 -0.045 0.000 1.318 563 F HN 0.520 nan 8.300 nan 0.000 0.569 564 D N 4.932 125.324 120.400 -0.014 0.000 2.428 564 D HA 0.222 4.858 4.640 -0.008 0.000 0.221 564 D C -0.976 175.257 176.300 -0.111 0.000 1.123 564 D CA -0.004 53.946 54.000 -0.083 0.000 0.869 564 D CB 1.254 41.990 40.800 -0.106 0.000 1.032 564 D HN 0.264 nan 8.370 nan 0.000 0.506 565 V N 2.697 122.533 119.914 -0.130 0.000 2.735 565 V HA 0.580 4.696 4.120 -0.008 0.000 0.310 565 V C -1.374 174.570 176.094 -0.250 0.000 1.061 565 V CA -0.694 61.510 62.300 -0.159 0.000 0.913 565 V CB 1.946 33.726 31.823 -0.071 0.000 1.005 565 V HN 0.505 nan 8.190 nan 0.000 0.428 566 Q N 4.280 123.944 119.800 -0.227 0.000 2.397 566 Q HA 0.659 4.994 4.340 -0.008 0.000 0.260 566 Q C -1.509 174.320 176.000 -0.285 0.000 1.002 566 Q CA -0.631 55.022 55.803 -0.250 0.000 0.716 566 Q CB 1.882 30.502 28.738 -0.197 0.000 1.258 566 Q HN 1.150 nan 8.270 nan 0.000 0.477 567 V N 1.999 121.731 119.914 -0.303 0.000 2.444 567 V HA 0.862 4.977 4.120 -0.008 0.000 0.294 567 V C -0.818 174.992 176.094 -0.474 0.000 1.022 567 V CA -0.558 61.375 62.300 -0.611 0.000 0.850 567 V CB 1.294 32.521 31.823 -0.994 0.000 0.992 567 V HN 0.816 nan 8.190 nan 0.000 0.426 568 K N 2.600 122.767 120.400 -0.388 0.000 3.138 568 K HA 0.392 4.707 4.320 -0.008 0.000 0.309 568 K C -1.341 175.261 176.600 0.004 0.000 1.090 568 K CA -1.095 55.155 56.287 -0.062 0.000 0.816 568 K CB 0.925 33.383 32.500 -0.071 0.000 1.476 568 K HN 0.468 nan 8.250 nan 0.000 0.380 569 R N 0.874 121.434 120.500 0.100 0.000 2.623 569 R HA 0.200 4.536 4.340 -0.008 0.000 0.271 569 R C 0.366 176.689 176.300 0.039 0.000 1.043 569 R CA -0.373 55.797 56.100 0.116 0.000 1.083 569 R CB -0.184 30.235 30.300 0.198 0.000 0.974 569 R HN 0.458 nan 8.270 nan 0.000 0.436 570 I N 4.503 125.071 120.570 -0.004 0.000 2.452 570 I HA 0.093 4.258 4.170 -0.008 0.000 0.287 570 I C 0.775 176.775 176.117 -0.195 0.000 1.079 570 I CA 0.641 61.884 61.300 -0.095 0.000 1.387 570 I CB -0.271 37.664 38.000 -0.107 0.000 1.404 570 I HN 0.280 nan 8.210 nan 0.000 0.522 571 H N 4.297 123.266 119.070 -0.169 0.000 3.012 571 H HA 0.243 4.795 4.556 -0.008 0.000 0.367 571 H C 0.345 175.556 175.328 -0.196 0.000 1.211 571 H CA -0.463 55.528 56.048 -0.094 0.000 1.139 571 H CB 2.069 31.706 29.762 -0.208 0.000 1.838 571 H HN 0.516 nan 8.280 nan 0.000 0.550 572 E N 1.075 121.348 120.200 0.121 0.000 2.208 572 E HA -0.161 4.184 4.350 -0.008 0.000 0.193 572 E C 1.304 177.636 176.600 -0.447 0.000 0.988 572 E CA 1.024 57.416 56.400 -0.014 0.000 0.828 572 E CB 0.114 30.011 29.700 0.329 0.000 0.763 572 E HN 0.522 nan 8.360 nan 0.000 0.478 573 Y N 0.617 120.378 120.300 -0.898 0.000 2.439 573 Y HA 0.058 4.603 4.550 -0.008 0.000 0.292 573 Y C 1.557 177.179 175.900 -0.463 0.000 1.130 573 Y CA 0.515 57.901 58.100 -1.189 0.000 1.254 573 Y CB 0.083 37.868 38.460 -1.125 0.000 1.000 573 Y HN -0.227 nan 8.280 nan 0.000 0.554 574 K N 1.146 121.065 120.400 -0.801 0.000 2.365 574 K HA -0.001 4.315 4.320 -0.008 0.000 0.199 574 K C 0.250 176.670 176.600 -0.301 0.000 1.045 574 K CA 0.753 56.696 56.287 -0.575 0.000 0.962 574 K CB -0.233 31.964 32.500 -0.505 0.000 0.759 574 K HN 0.460 nan 8.250 nan 0.000 0.469 575 R N 0.882 121.232 120.500 -0.250 0.000 3.336 575 R HA -0.194 4.142 4.340 -0.008 0.000 0.260 575 R C 0.479 176.697 176.300 -0.137 0.000 1.032 575 R CA 0.261 56.271 56.100 -0.151 0.000 0.693 575 R CB -1.848 28.381 30.300 -0.117 0.000 1.134 575 R HN 0.260 nan 8.270 nan 0.000 0.433 576 Q N 0.282 120.000 119.800 -0.137 0.000 2.226 576 Q HA -0.033 4.302 4.340 -0.008 0.000 0.204 576 Q C 2.015 177.964 176.000 -0.085 0.000 0.975 576 Q CA 1.303 57.039 55.803 -0.112 0.000 0.866 576 Q CB 0.054 28.729 28.738 -0.105 0.000 0.915 576 Q HN 0.584 nan 8.270 nan 0.000 0.440 577 L N -0.609 120.568 121.223 -0.078 0.000 2.131 577 L HA -0.168 4.167 4.340 -0.008 0.000 0.210 577 L C 1.966 178.837 176.870 0.002 0.000 1.092 577 L CA 0.482 55.291 54.840 -0.052 0.000 0.759 577 L CB -0.321 41.717 42.059 -0.036 0.000 0.903 577 L HN 0.308 nan 8.230 nan 0.000 0.435 578 L N 0.002 121.220 121.223 -0.009 0.000 2.093 578 L HA -0.221 4.115 4.340 -0.008 0.000 0.208 578 L C 2.010 178.942 176.870 0.102 0.000 1.085 578 L CA 1.858 56.710 54.840 0.019 0.000 0.755 578 L CB -0.810 41.151 42.059 -0.164 0.000 0.904 578 L HN 0.281 nan 8.230 nan 0.000 0.435 579 N N -1.695 117.029 118.700 0.039 0.000 2.120 579 N HA -0.228 4.507 4.740 -0.008 0.000 0.188 579 N C 1.943 177.537 175.510 0.141 0.000 1.024 579 N CA 1.582 54.730 53.050 0.163 0.000 0.852 579 N CB -0.135 38.374 38.487 0.037 0.000 1.003 579 N HN 0.487 nan 8.380 nan 0.000 0.424 580 C N 0.606 119.922 119.300 0.027 0.000 2.413 580 C HA -0.077 4.378 4.460 -0.008 0.000 0.276 580 C C 2.596 177.579 174.990 -0.011 0.000 1.248 580 C CA 0.392 59.379 59.018 -0.053 0.000 1.742 580 C CB -1.269 26.386 27.740 -0.141 0.000 2.017 580 C HN 0.513 nan 8.230 nan 0.000 0.481 581 L N -0.310 120.968 121.223 0.093 0.000 2.083 581 L HA -0.206 4.129 4.340 -0.008 0.000 0.209 581 L C 2.752 179.775 176.870 0.255 0.000 1.083 581 L CA 1.824 56.768 54.840 0.172 0.000 0.752 581 L CB -1.040 41.195 42.059 0.292 0.000 0.899 581 L HN 0.602 nan 8.230 nan 0.000 0.433 582 H N -0.086 119.090 119.070 0.177 0.000 2.326 582 H HA -0.126 4.425 4.556 -0.008 0.000 0.301 582 H C 2.246 177.559 175.328 -0.024 0.000 1.081 582 H CA 1.806 57.868 56.048 0.022 0.000 1.334 582 H CB 0.322 30.007 29.762 -0.129 0.000 1.385 582 H HN 0.090 nan 8.280 nan 0.000 0.504 583 V N 1.671 121.483 119.914 -0.170 0.000 2.287 583 V HA -0.285 3.830 4.120 -0.008 0.000 0.248 583 V C 2.825 178.840 176.094 -0.132 0.000 1.053 583 V CA 1.957 64.125 62.300 -0.221 0.000 1.027 583 V CB -0.521 31.226 31.823 -0.127 0.000 0.646 583 V HN 0.405 nan 8.190 nan 0.000 0.447 584 I N -0.308 120.226 120.570 -0.060 0.000 2.394 584 I HA -0.203 3.962 4.170 -0.008 0.000 0.251 584 I C 2.475 178.645 176.117 0.088 0.000 1.136 584 I CA 1.588 62.925 61.300 0.061 0.000 1.425 584 I CB -0.631 37.385 38.000 0.027 0.000 1.079 584 I HN 0.326 nan 8.210 nan 0.000 0.425 585 T N 1.186 115.747 114.554 0.011 0.000 2.708 585 T HA -0.138 4.207 4.350 -0.008 0.000 0.266 585 T C 1.881 176.535 174.700 -0.077 0.000 1.037 585 T CA 1.169 63.271 62.100 0.003 0.000 1.146 585 T CB -0.219 68.677 68.868 0.047 0.000 0.865 585 T HN 0.080 nan 8.240 nan 0.000 0.435 586 L N 0.151 121.256 121.223 -0.196 0.000 2.046 586 L HA -0.024 4.311 4.340 -0.008 0.000 0.208 586 L C 2.081 178.909 176.870 -0.069 0.000 1.077 586 L CA 1.589 56.311 54.840 -0.196 0.000 0.747 586 L CB -0.985 40.881 42.059 -0.320 0.000 0.896 586 L HN 0.370 nan 8.230 nan 0.000 0.432 587 Y N 0.137 120.370 120.300 -0.112 0.000 2.145 587 Y HA -0.280 4.265 4.550 -0.008 0.000 0.286 587 Y C 2.444 178.321 175.900 -0.038 0.000 1.145 587 Y CA 1.815 59.889 58.100 -0.043 0.000 1.148 587 Y CB -0.087 38.394 38.460 0.035 0.000 0.981 587 Y HN 0.271 nan 8.280 nan 0.000 0.507 588 N N 0.511 119.156 118.700 -0.091 0.000 2.166 588 N HA -0.151 4.585 4.740 -0.008 0.000 0.186 588 N C 1.819 177.211 175.510 -0.196 0.000 1.019 588 N CA 1.512 54.444 53.050 -0.198 0.000 0.856 588 N CB -0.371 38.063 38.487 -0.087 0.000 0.993 588 N HN 0.447 nan 8.380 nan 0.000 0.426 589 R N 0.383 120.798 120.500 -0.141 0.000 2.092 589 R HA 0.070 4.405 4.340 -0.008 0.000 0.231 589 R C 2.220 178.434 176.300 -0.143 0.000 1.119 589 R CA 0.717 56.743 56.100 -0.123 0.000 0.970 589 R CB -0.213 30.026 30.300 -0.101 0.000 0.864 589 R HN 0.248 nan 8.270 nan 0.000 0.440 590 I N 0.939 121.403 120.570 -0.176 0.000 2.202 590 I HA -0.261 3.904 4.170 -0.008 0.000 0.242 590 I C 2.029 178.031 176.117 -0.192 0.000 1.091 590 I CA 1.186 62.384 61.300 -0.170 0.000 1.368 590 I CB -0.177 37.726 38.000 -0.162 0.000 1.058 590 I HN 0.024 nan 8.210 nan 0.000 0.410 591 K N 0.888 121.109 120.400 -0.299 0.000 2.209 591 K HA -0.199 4.117 4.320 -0.008 0.000 0.204 591 K C 1.956 178.456 176.600 -0.166 0.000 1.048 591 K CA 1.070 57.198 56.287 -0.266 0.000 0.940 591 K CB -0.290 31.973 32.500 -0.396 0.000 0.729 591 K HN 0.357 nan 8.250 nan 0.000 0.451 592 K N 1.239 121.548 120.400 -0.152 0.000 2.076 592 K HA -0.077 4.238 4.320 -0.008 0.000 0.204 592 K C -0.001 176.552 176.600 -0.079 0.000 1.051 592 K CA 1.030 57.254 56.287 -0.105 0.000 0.949 592 K CB 0.382 32.823 32.500 -0.098 0.000 0.726 592 K HN 0.065 nan 8.250 nan 0.000 0.443 593 E N 0.289 120.441 120.200 -0.079 0.000 3.132 593 E HA 0.125 4.471 4.350 -0.008 0.000 0.241 593 E C -2.381 174.185 176.600 -0.056 0.000 1.196 593 E CA -1.619 54.748 56.400 -0.055 0.000 0.869 593 E CB 1.762 31.436 29.700 -0.044 0.000 1.387 593 E HN 0.121 nan 8.360 nan 0.000 0.393 594 P HA -0.192 nan 4.420 nan 0.000 0.215 594 P C 0.654 177.940 177.300 -0.025 0.000 1.157 594 P CA 1.131 64.202 63.100 -0.048 0.000 0.874 594 P CB 0.220 31.896 31.700 -0.040 0.000 0.790 595 N N -0.785 117.909 118.700 -0.010 0.000 2.362 595 N HA -0.015 4.720 4.740 -0.008 0.000 0.204 595 N C 0.550 176.078 175.510 0.030 0.000 1.166 595 N CA 0.398 53.456 53.050 0.012 0.000 0.831 595 N CB 0.019 38.513 38.487 0.011 0.000 1.008 595 N HN 0.242 nan 8.380 nan 0.000 0.472 596 K N 0.829 121.240 120.400 0.018 0.000 2.130 596 K HA 0.161 4.476 4.320 -0.008 0.000 0.268 596 K C -0.841 175.798 176.600 0.066 0.000 0.983 596 K CA -0.574 55.737 56.287 0.041 0.000 0.893 596 K CB 0.953 33.457 32.500 0.006 0.000 1.066 596 K HN -0.144 nan 8.250 nan 0.000 0.450 597 F N 4.324 124.261 119.950 -0.020 0.000 2.412 597 F HA 0.259 4.781 4.527 -0.008 0.000 0.348 597 F C -0.442 175.345 175.800 -0.022 0.000 1.102 597 F CA -0.134 57.855 58.000 -0.018 0.000 1.196 597 F CB 0.698 39.690 39.000 -0.014 0.000 1.144 597 F HN 0.188 nan 8.300 nan 0.000 0.541 598 V N 3.993 123.297 119.914 -1.017 0.000 2.888 598 V HA 0.524 4.639 4.120 -0.008 0.000 0.309 598 V C -0.849 174.655 176.094 -0.984 0.000 1.114 598 V CA -1.231 60.633 62.300 -0.725 0.000 0.940 598 V CB 0.892 32.497 31.823 -0.363 0.000 1.021 598 V HN 0.575 nan 8.190 nan 0.000 0.426 599 V N 4.630 124.225 119.914 -0.531 0.000 2.540 599 V HA 0.185 4.300 4.120 -0.008 0.000 0.297 599 V C -1.834 174.102 176.094 -0.263 0.000 1.024 599 V CA -0.358 61.764 62.300 -0.297 0.000 1.105 599 V CB 0.459 32.231 31.823 -0.085 0.000 0.938 599 V HN 0.900 nan 8.190 nan 0.000 0.482 600 P HA 0.346 nan 4.420 nan 0.000 0.268 600 P C -0.496 176.721 177.300 -0.138 0.000 1.205 600 P CA -0.024 62.996 63.100 -0.133 0.000 0.771 600 P CB 0.522 32.194 31.700 -0.048 0.000 0.858 601 R N 0.988 121.416 120.500 -0.120 0.000 2.725 601 R HA 0.594 4.930 4.340 -0.008 0.000 0.277 601 R C -0.885 175.372 176.300 -0.072 0.000 0.987 601 R CA -0.648 55.380 56.100 -0.121 0.000 0.901 601 R CB 1.925 32.133 30.300 -0.153 0.000 1.207 601 R HN 0.251 nan 8.270 nan 0.000 0.463 602 T N 1.924 116.450 114.554 -0.047 0.000 2.842 602 T HA 0.247 4.593 4.350 -0.008 0.000 0.308 602 T C -0.524 174.083 174.700 -0.156 0.000 1.041 602 T CA -0.492 61.540 62.100 -0.112 0.000 0.964 602 T CB 1.061 69.808 68.868 -0.201 0.000 0.972 602 T HN 0.139 nan 8.240 nan 0.000 0.460 603 V N 5.920 125.752 119.914 -0.137 0.000 2.368 603 V HA 0.395 4.510 4.120 -0.008 0.000 0.266 603 V C 0.102 176.108 176.094 -0.146 0.000 1.045 603 V CA -0.343 61.880 62.300 -0.128 0.000 0.899 603 V CB 0.535 32.299 31.823 -0.099 0.000 1.006 603 V HN 0.851 nan 8.190 nan 0.000 0.470 604 M N 6.640 126.139 119.600 -0.168 0.000 2.167 604 M HA 0.602 5.078 4.480 -0.008 0.000 0.333 604 M C -0.925 175.256 176.300 -0.198 0.000 1.030 604 M CA -0.106 55.085 55.300 -0.181 0.000 0.963 604 M CB 1.831 34.313 32.600 -0.197 0.000 1.589 604 M HN 0.428 nan 8.290 nan 0.000 0.431 605 I N 2.015 122.451 120.570 -0.222 0.000 2.498 605 I HA 0.809 4.974 4.170 -0.008 0.000 0.290 605 I C 0.085 175.872 176.117 -0.549 0.000 1.032 605 I CA -0.613 60.530 61.300 -0.261 0.000 1.073 605 I CB 2.258 40.196 38.000 -0.103 0.000 1.251 605 I HN 0.788 nan 8.210 nan 0.000 0.426 606 G N 2.997 111.439 108.800 -0.597 0.000 2.690 606 G HA2 0.839 4.794 3.960 -0.008 0.000 0.293 606 G HA3 0.839 4.794 3.960 -0.008 0.000 0.293 606 G C -0.997 173.602 174.900 -0.503 0.000 1.399 606 G CA -0.778 43.818 45.100 -0.841 0.000 0.890 606 G HN 0.986 nan 8.290 nan 0.000 0.485 607 G N -0.396 108.260 108.800 -0.240 0.000 2.329 607 G HA2 0.392 4.348 3.960 -0.008 0.000 0.308 607 G HA3 0.392 4.348 3.960 -0.008 0.000 0.308 607 G C -1.223 173.809 174.900 0.220 0.000 1.587 607 G CA -1.030 44.103 45.100 0.054 0.000 0.978 607 G HN 0.613 nan 8.290 nan 0.000 0.685 608 K N -0.115 120.408 120.400 0.205 0.000 2.098 608 K HA 0.775 5.090 4.320 -0.008 0.000 0.258 608 K C 0.234 176.955 176.600 0.202 0.000 0.973 608 K CA -0.212 56.216 56.287 0.235 0.000 0.898 608 K CB 2.079 34.630 32.500 0.085 0.000 1.057 608 K HN 0.901 nan 8.250 nan 0.000 0.447 609 A N 1.251 124.221 122.820 0.250 0.000 2.337 609 A HA 0.656 4.971 4.320 -0.008 0.000 0.329 609 A C -0.520 177.211 177.584 0.245 0.000 1.146 609 A CA -0.764 51.346 52.037 0.122 0.000 0.800 609 A CB 1.116 20.110 19.000 -0.009 0.000 1.220 609 A HN 0.770 nan 8.150 nan 0.000 0.472 610 A N 3.287 126.227 122.820 0.200 0.000 2.511 610 A HA 0.473 4.788 4.320 -0.008 0.000 0.242 610 A C -1.425 176.229 177.584 0.116 0.000 1.069 610 A CA -0.776 51.392 52.037 0.220 0.000 0.763 610 A CB -0.385 18.712 19.000 0.161 0.000 1.001 610 A HN 0.596 nan 8.150 nan 0.000 0.498 611 P HA -0.154 nan 4.420 nan 0.000 0.217 611 P C 1.287 178.574 177.300 -0.021 0.000 1.151 611 P CA 2.040 65.079 63.100 -0.101 0.000 0.849 611 P CB 0.211 31.802 31.700 -0.182 0.000 0.787 612 G N -3.118 105.693 108.800 0.018 0.000 3.189 612 G HA2 -0.070 3.885 3.960 -0.008 0.000 0.225 612 G HA3 -0.070 3.885 3.960 -0.008 0.000 0.225 612 G C -0.222 174.714 174.900 0.061 0.000 1.159 612 G CA -0.121 44.994 45.100 0.026 0.000 0.763 612 G HN 0.308 nan 8.290 nan 0.000 0.549 613 Y N 1.775 122.016 120.300 -0.099 0.000 2.691 613 Y HA 0.179 4.724 4.550 -0.008 0.000 0.338 613 Y C 1.678 177.562 175.900 -0.027 0.000 1.148 613 Y CA -1.067 56.958 58.100 -0.125 0.000 1.430 613 Y CB 0.059 38.401 38.460 -0.197 0.000 1.303 613 Y HN 0.315 nan 8.280 nan 0.000 0.499 614 H N 3.890 123.079 119.070 0.198 0.000 2.289 614 H HA -0.254 4.297 4.556 -0.008 0.000 0.296 614 H C 1.826 177.190 175.328 0.060 0.000 1.091 614 H CA 2.498 58.611 56.048 0.109 0.000 1.274 614 H CB 0.323 30.147 29.762 0.104 0.000 1.364 614 H HN 0.716 nan 8.280 nan 0.000 0.490 615 M N 0.998 120.596 119.600 -0.004 0.000 2.108 615 M HA -0.090 4.385 4.480 -0.008 0.000 0.261 615 M C 2.571 178.632 176.300 -0.398 0.000 1.066 615 M CA 1.874 57.085 55.300 -0.148 0.000 1.107 615 M CB -0.736 31.929 32.600 0.107 0.000 1.356 615 M HN 0.353 nan 8.290 nan 0.000 0.406 616 A N -0.404 121.928 122.820 -0.813 0.000 1.933 616 A HA -0.201 4.114 4.320 -0.008 0.000 0.218 616 A C 2.206 179.567 177.584 -0.372 0.000 1.175 616 A CA 1.915 53.488 52.037 -0.772 0.000 0.628 616 A CB -0.661 17.663 19.000 -1.127 0.000 0.814 616 A HN 0.589 nan 8.150 nan 0.000 0.444 617 K N -1.188 119.050 120.400 -0.271 0.000 2.148 617 K HA -0.022 4.293 4.320 -0.008 0.000 0.204 617 K C 1.873 178.406 176.600 -0.112 0.000 1.050 617 K CA 1.143 57.358 56.287 -0.119 0.000 0.942 617 K CB -0.182 32.315 32.500 -0.006 0.000 0.724 617 K HN 0.352 nan 8.250 nan 0.000 0.446 618 M N 0.438 119.926 119.600 -0.186 0.000 2.254 618 M HA -0.048 4.428 4.480 -0.008 0.000 0.265 618 M C 2.052 178.275 176.300 -0.128 0.000 1.066 618 M CA 1.315 56.547 55.300 -0.113 0.000 1.123 618 M CB -0.520 32.006 32.600 -0.124 0.000 1.388 618 M HN 0.121 nan 8.290 nan 0.000 0.425 619 I N -0.225 120.235 120.570 -0.185 0.000 2.315 619 I HA -0.285 3.881 4.170 -0.008 0.000 0.248 619 I C 2.273 178.251 176.117 -0.232 0.000 1.117 619 I CA 0.991 62.174 61.300 -0.196 0.000 1.404 619 I CB -0.285 37.600 38.000 -0.190 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.772 121.184 120.570 -0.264 0.000 2.179 620 I HA -0.305 3.860 4.170 -0.008 0.000 0.242 620 I C 2.620 178.446 176.117 -0.486 0.000 1.088 620 I CA 1.278 62.328 61.300 -0.416 0.000 1.357 620 I CB -0.320 37.408 38.000 -0.454 0.000 1.051 620 I HN 0.158 nan 8.210 nan 0.000 0.409 621 K N 1.564 121.690 120.400 -0.458 0.000 2.097 621 K HA -0.159 4.156 4.320 -0.008 0.000 0.206 621 K C 2.048 178.476 176.600 -0.286 0.000 1.049 621 K CA 1.497 57.442 56.287 -0.571 0.000 0.933 621 K CB -0.593 31.304 32.500 -1.005 0.000 0.717 621 K HN 0.235 nan 8.250 nan 0.000 0.442 622 L N 0.389 121.470 121.223 -0.236 0.000 2.046 622 L HA -0.160 4.175 4.340 -0.008 0.000 0.208 622 L C 2.157 178.781 176.870 -0.409 0.000 1.077 622 L CA 1.673 56.210 54.840 -0.505 0.000 0.747 622 L CB -0.289 41.384 42.059 -0.642 0.000 0.896 622 L HN 0.277 nan 8.230 nan 0.000 0.432 623 I N -0.111 120.272 120.570 -0.312 0.000 2.142 623 I HA -0.338 3.828 4.170 -0.008 0.000 0.240 623 I C 2.648 178.651 176.117 -0.189 0.000 1.078 623 I CA 1.951 63.120 61.300 -0.219 0.000 1.343 623 I CB -0.667 37.279 38.000 -0.089 0.000 1.046 623 I HN 0.416 nan 8.210 nan 0.000 0.405 624 T N -0.537 113.879 114.554 -0.230 0.000 2.788 624 T HA -0.129 4.216 4.350 -0.008 0.000 0.268 624 T C 1.997 176.628 174.700 -0.115 0.000 1.044 624 T CA 1.039 63.038 62.100 -0.167 0.000 1.139 624 T CB -0.575 68.152 68.868 -0.234 0.000 0.867 624 T HN 0.356 nan 8.240 nan 0.000 0.454 625 A N 1.623 124.371 122.820 -0.121 0.000 1.902 625 A HA 0.089 4.404 4.320 -0.008 0.000 0.217 625 A C 2.412 180.001 177.584 0.009 0.000 1.181 625 A CA 1.465 53.500 52.037 -0.003 0.000 0.623 625 A CB -0.860 18.225 19.000 0.141 0.000 0.818 625 A HN 0.609 nan 8.150 nan 0.000 0.443 626 I N -0.398 120.071 120.570 -0.170 0.000 2.226 626 I HA -0.190 3.975 4.170 -0.008 0.000 0.245 626 I C 2.700 178.765 176.117 -0.088 0.000 1.100 626 I CA 1.082 62.260 61.300 -0.204 0.000 1.374 626 I CB -0.643 37.121 38.000 -0.394 0.000 1.057 626 I HN 0.399 nan 8.210 nan 0.000 0.413 627 G N 0.456 109.197 108.800 -0.097 0.000 2.442 627 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.219 627 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.219 627 G C 1.249 176.108 174.900 -0.069 0.000 1.141 627 G CA 0.916 45.963 45.100 -0.089 0.000 0.763 627 G HN 0.280 nan 8.290 nan 0.000 0.554 628 D N 0.070 120.478 120.400 0.013 0.000 2.123 628 D HA -0.088 4.547 4.640 -0.008 0.000 0.196 628 D C 2.729 179.119 176.300 0.149 0.000 0.992 628 D CA 0.772 54.849 54.000 0.128 0.000 0.833 628 D CB -0.265 40.594 40.800 0.098 0.000 0.954 628 D HN 0.243 nan 8.370 nan 0.000 0.455 629 V N 0.253 120.192 119.914 0.040 0.000 2.273 629 V HA -0.148 3.967 4.120 -0.008 0.000 0.242 629 V C 2.635 178.658 176.094 -0.118 0.000 1.035 629 V CA 0.822 63.093 62.300 -0.050 0.000 1.013 629 V CB -0.408 31.349 31.823 -0.109 0.000 0.652 629 V HN 0.023 nan 8.190 nan 0.000 0.452 630 V N 1.033 120.811 119.914 -0.228 0.000 2.287 630 V HA -0.233 3.882 4.120 -0.008 0.000 0.248 630 V C 2.143 178.172 176.094 -0.107 0.000 1.053 630 V CA 2.116 64.280 62.300 -0.227 0.000 1.027 630 V CB -0.910 30.781 31.823 -0.219 0.000 0.646 630 V HN 0.578 nan 8.190 nan 0.000 0.447 631 N N -0.409 118.161 118.700 -0.217 0.000 2.550 631 N HA -0.084 4.651 4.740 -0.008 0.000 0.186 631 N C 1.112 176.342 175.510 -0.466 0.000 1.110 631 N CA 0.908 53.748 53.050 -0.351 0.000 0.912 631 N CB -0.266 37.931 38.487 -0.484 0.000 0.968 631 N HN 0.709 nan 8.380 nan 0.000 0.448 632 H N -1.615 117.464 119.070 0.015 0.000 2.785 632 H HA 0.194 4.745 4.556 -0.008 0.000 0.268 632 H C -0.579 174.771 175.328 0.036 0.000 1.153 632 H CA -0.504 55.556 56.048 0.019 0.000 1.111 632 H CB 0.706 30.468 29.762 0.001 0.000 1.633 632 H HN -0.029 nan 8.280 nan 0.000 0.576 633 D N 1.739 122.219 120.400 0.133 0.000 2.339 633 D HA 0.054 4.689 4.640 -0.008 0.000 0.241 633 D C -1.668 174.700 176.300 0.112 0.000 1.183 633 D CA -2.118 51.975 54.000 0.155 0.000 0.859 633 D CB 1.630 42.600 40.800 0.283 0.000 1.067 633 D HN 0.084 nan 8.370 nan 0.000 0.484 634 P HA -0.174 nan 4.420 nan 0.000 0.216 634 P C 1.585 178.915 177.300 0.049 0.000 1.153 634 P CA 0.599 63.735 63.100 0.061 0.000 0.858 634 P CB 0.390 32.119 31.700 0.048 0.000 0.789 635 V N -0.810 119.132 119.914 0.046 0.000 2.594 635 V HA -0.174 3.941 4.120 -0.008 0.000 0.253 635 V C 2.374 178.478 176.094 0.018 0.000 1.069 635 V CA 1.548 63.861 62.300 0.021 0.000 1.082 635 V CB -1.004 30.819 31.823 -0.001 0.000 0.680 635 V HN -0.002 nan 8.190 nan 0.000 0.469 636 V N -0.312 119.632 119.914 0.049 0.000 2.453 636 V HA 0.137 4.253 4.120 -0.008 0.000 0.247 636 V C 1.796 177.908 176.094 0.029 0.000 1.048 636 V CA 1.384 63.713 62.300 0.048 0.000 1.049 636 V CB -1.101 30.797 31.823 0.125 0.000 0.672 636 V HN 0.727 nan 8.190 nan 0.000 0.457 637 G N 1.621 110.444 108.800 0.038 0.000 2.574 637 G HA2 -0.406 3.549 3.960 -0.008 0.000 0.286 637 G HA3 -0.406 3.549 3.960 -0.008 0.000 0.286 637 G C 0.258 175.176 174.900 0.030 0.000 1.212 637 G CA 0.609 45.729 45.100 0.034 0.000 0.979 637 G HN 0.728 nan 8.290 nan 0.000 0.557 638 D N -0.108 120.311 120.400 0.031 0.000 2.358 638 D HA 0.322 4.957 4.640 -0.008 0.000 0.224 638 D C 1.861 178.165 176.300 0.006 0.000 1.123 638 D CA 0.247 54.266 54.000 0.033 0.000 0.833 638 D CB 0.119 40.955 40.800 0.059 0.000 0.946 638 D HN 0.588 nan 8.370 nan 0.000 0.505 639 R N -0.598 119.894 120.500 -0.014 0.000 2.200 639 R HA 0.265 4.600 4.340 -0.008 0.000 0.208 639 R C -0.144 176.117 176.300 -0.065 0.000 1.033 639 R CA 0.299 56.365 56.100 -0.056 0.000 1.000 639 R CB 0.166 30.417 30.300 -0.083 0.000 0.906 639 R HN 0.179 nan 8.270 nan 0.000 0.462 640 L N 0.458 121.659 121.223 -0.037 0.000 2.505 640 L HA 0.410 4.745 4.340 -0.008 0.000 0.266 640 L C -1.631 175.214 176.870 -0.042 0.000 0.954 640 L CA -0.552 54.261 54.840 -0.044 0.000 0.852 640 L CB 1.827 43.872 42.059 -0.023 0.000 1.282 640 L HN -0.143 nan 8.230 nan 0.000 0.403 641 R N 3.941 124.401 120.500 -0.066 0.000 2.628 641 R HA 0.740 5.075 4.340 -0.008 0.000 0.288 641 R C -1.633 174.608 176.300 -0.099 0.000 0.980 641 R CA -0.796 55.255 56.100 -0.082 0.000 0.891 641 R CB 2.438 32.689 30.300 -0.081 0.000 1.188 641 R HN 0.423 nan 8.270 nan 0.000 0.450 642 V N 5.151 125.004 119.914 -0.103 0.000 2.350 642 V HA 0.470 4.585 4.120 -0.008 0.000 0.285 642 V C -0.126 175.921 176.094 -0.079 0.000 1.014 642 V CA -0.612 61.629 62.300 -0.098 0.000 0.831 642 V CB 1.444 33.204 31.823 -0.105 0.000 1.000 642 V HN 0.564 nan 8.190 nan 0.000 0.433 643 I N 4.789 125.312 120.570 -0.078 0.000 2.509 643 I HA 0.462 4.627 4.170 -0.008 0.000 0.293 643 I C -0.788 175.314 176.117 -0.025 0.000 1.020 643 I CA -0.429 60.841 61.300 -0.051 0.000 1.088 643 I CB 2.096 40.044 38.000 -0.088 0.000 1.267 643 I HN 0.566 nan 8.210 nan 0.000 0.430 644 F N 7.474 127.362 119.950 -0.104 0.000 2.361 644 F HA 0.471 4.994 4.527 -0.007 0.000 0.364 644 F C -0.746 174.994 175.800 -0.100 0.000 1.120 644 F CA -0.797 57.142 58.000 -0.102 0.000 1.102 644 F CB 0.632 39.573 39.000 -0.097 0.000 1.183 644 F HN 0.128 nan 8.300 nan 0.000 0.476 645 L N 5.853 126.674 121.223 -0.669 0.000 2.456 645 L HA 0.130 4.466 4.340 -0.008 0.000 0.277 645 L C 0.404 176.976 176.870 -0.497 0.000 1.124 645 L CA 0.256 54.825 54.840 -0.451 0.000 0.880 645 L CB -0.080 41.795 42.059 -0.306 0.000 1.192 645 L HN 0.633 nan 8.230 nan 0.000 0.463 646 E N 3.129 123.187 120.200 -0.236 0.000 2.383 646 E HA -0.013 4.333 4.350 -0.008 0.000 0.264 646 E C 0.545 177.171 176.600 0.044 0.000 1.050 646 E CA -0.272 56.129 56.400 0.001 0.000 0.896 646 E CB 0.336 30.006 29.700 -0.050 0.000 0.982 646 E HN 0.536 nan 8.360 nan 0.000 0.424 647 N N 2.448 121.252 118.700 0.174 0.000 2.705 647 N HA -0.292 4.444 4.740 -0.008 0.000 0.255 647 N C -1.524 174.068 175.510 0.137 0.000 1.008 647 N CA 0.540 53.692 53.050 0.170 0.000 0.742 647 N CB -1.425 37.180 38.487 0.197 0.000 0.906 647 N HN 0.450 nan 8.380 nan 0.000 0.541 648 Y N 1.413 121.709 120.300 -0.008 0.000 2.721 648 Y HA 0.156 4.701 4.550 -0.008 0.000 0.329 648 Y C 1.130 177.041 175.900 0.018 0.000 1.211 648 Y CA 0.514 58.597 58.100 -0.029 0.000 1.512 648 Y CB 0.282 38.694 38.460 -0.080 0.000 1.249 648 Y HN 0.381 nan 8.280 nan 0.000 0.549 649 R N 2.521 122.691 120.500 -0.549 0.000 2.844 649 R HA 0.515 4.850 4.340 -0.008 0.000 0.264 649 R C -0.261 175.691 176.300 -0.581 0.000 1.077 649 R CA -0.631 55.211 56.100 -0.431 0.000 0.953 649 R CB 0.345 30.579 30.300 -0.109 0.000 1.272 649 R HN 0.345 nan 8.270 nan 0.000 0.447 650 V N 1.070 120.684 119.914 -0.499 0.000 2.255 650 V HA -0.297 3.818 4.120 -0.008 0.000 0.247 650 V C 2.575 178.538 176.094 -0.218 0.000 1.051 650 V CA 2.839 64.907 62.300 -0.386 0.000 1.018 650 V CB -0.852 30.715 31.823 -0.426 0.000 0.641 650 V HN 0.942 nan 8.190 nan 0.000 0.445 651 S N 0.120 115.713 115.700 -0.178 0.000 2.400 651 S HA -0.194 4.272 4.470 -0.008 0.000 0.232 651 S C 1.911 176.456 174.600 -0.092 0.000 1.025 651 S CA 1.759 59.886 58.200 -0.121 0.000 0.993 651 S CB -0.551 62.611 63.200 -0.064 0.000 0.808 651 S HN 0.398 nan 8.310 nan 0.000 0.478 652 L N 1.794 122.962 121.223 -0.091 0.000 2.179 652 L HA 0.365 4.700 4.340 -0.008 0.000 0.208 652 L C 2.629 179.494 176.870 -0.009 0.000 1.096 652 L CA 1.284 56.106 54.840 -0.029 0.000 0.779 652 L CB -1.225 40.863 42.059 0.048 0.000 0.922 652 L HN 0.338 nan 8.230 nan 0.000 0.443 653 A N -0.638 122.153 122.820 -0.048 0.000 1.933 653 A HA -0.224 4.091 4.320 -0.008 0.000 0.218 653 A C 2.114 179.756 177.584 0.098 0.000 1.175 653 A CA 1.759 53.855 52.037 0.099 0.000 0.628 653 A CB -0.591 18.458 19.000 0.082 0.000 0.814 653 A HN 0.588 nan 8.150 nan 0.000 0.444 654 E N -0.391 119.844 120.200 0.058 0.000 2.265 654 E HA -0.164 4.181 4.350 -0.008 0.000 0.196 654 E C 1.836 178.399 176.600 -0.063 0.000 0.996 654 E CA 1.179 57.569 56.400 -0.018 0.000 0.832 654 E CB -0.049 29.546 29.700 -0.176 0.000 0.756 654 E HN 0.627 nan 8.360 nan 0.000 0.491 655 K N -0.056 120.289 120.400 -0.092 0.000 2.141 655 K HA -0.010 4.305 4.320 -0.008 0.000 0.202 655 K C 2.188 178.601 176.600 -0.311 0.000 1.045 655 K CA 0.863 57.080 56.287 -0.117 0.000 0.971 655 K CB 0.341 32.772 32.500 -0.114 0.000 0.795 655 K HN -0.008 nan 8.250 nan 0.000 0.459 656 V N 0.998 120.634 119.914 -0.463 0.000 2.379 656 V HA -0.156 3.959 4.120 -0.008 0.000 0.245 656 V C 2.201 178.035 176.094 -0.433 0.000 1.044 656 V CA 1.229 63.048 62.300 -0.800 0.000 1.036 656 V CB -0.724 30.769 31.823 -0.550 0.000 0.664 656 V HN 0.182 nan 8.190 nan 0.000 0.453 657 I N 0.818 121.177 120.570 -0.352 0.000 2.151 657 I HA -0.166 3.999 4.170 -0.008 0.000 0.243 657 I C -0.073 175.902 176.117 -0.237 0.000 1.080 657 I CA 1.942 62.950 61.300 -0.485 0.000 1.339 657 I CB -1.557 36.064 38.000 -0.631 0.000 1.039 657 I HN 0.350 nan 8.210 nan 0.000 0.409 658 P HA -0.107 nan 4.420 nan 0.000 0.222 658 P C 0.946 178.232 177.300 -0.022 0.000 1.147 658 P CA 1.261 64.327 63.100 -0.056 0.000 0.790 658 P CB 0.048 31.727 31.700 -0.034 0.000 0.780 659 A N -1.271 121.517 122.820 -0.052 0.000 2.275 659 A HA 0.481 4.796 4.320 -0.008 0.000 0.212 659 A C 1.131 178.815 177.584 0.166 0.000 1.201 659 A CA 0.073 52.138 52.037 0.046 0.000 0.843 659 A CB -0.629 18.406 19.000 0.059 0.000 0.873 659 A HN 0.188 nan 8.150 nan 0.000 0.492 660 A N -0.205 122.701 122.820 0.144 0.000 2.340 660 A HA 0.499 4.814 4.320 -0.008 0.000 0.268 660 A C 0.326 178.056 177.584 0.243 0.000 1.100 660 A CA -0.212 51.981 52.037 0.260 0.000 0.803 660 A CB 0.402 19.650 19.000 0.413 0.000 1.043 660 A HN 0.259 nan 8.150 nan 0.000 0.488 661 D N 0.400 120.944 120.400 0.240 0.000 2.431 661 D HA 0.127 4.763 4.640 -0.008 0.000 0.235 661 D C 0.017 176.521 176.300 0.341 0.000 0.980 661 D CA 0.677 54.861 54.000 0.306 0.000 0.912 661 D CB 0.302 41.203 40.800 0.167 0.000 1.056 661 D HN 0.359 nan 8.370 nan 0.000 0.494 662 L N 1.193 122.511 121.223 0.157 0.000 2.356 662 L HA 0.302 4.637 4.340 -0.008 0.000 0.277 662 L C -0.776 175.988 176.870 -0.177 0.000 0.996 662 L CA -0.283 54.577 54.840 0.032 0.000 0.822 662 L CB 2.052 44.100 42.059 -0.019 0.000 1.256 662 L HN -0.175 nan 8.230 nan 0.000 0.413 663 S N 4.307 119.814 115.700 -0.321 0.000 2.422 663 S HA 0.324 4.790 4.470 -0.008 0.000 0.308 663 S C -0.400 173.918 174.600 -0.470 0.000 1.097 663 S CA -0.690 57.064 58.200 -0.743 0.000 1.099 663 S CB 0.653 63.350 63.200 -0.838 0.000 0.976 663 S HN 0.550 nan 8.310 nan 0.000 0.471 664 E N 4.130 124.061 120.200 -0.448 0.000 2.089 664 E HA 0.204 4.549 4.350 -0.008 0.000 0.284 664 E C -0.532 175.943 176.600 -0.208 0.000 1.023 664 E CA -0.387 55.875 56.400 -0.230 0.000 0.819 664 E CB 0.953 30.549 29.700 -0.173 0.000 1.076 664 E HN 0.598 nan 8.360 nan 0.000 0.396 665 Q N 2.797 122.532 119.800 -0.109 0.000 2.965 665 Q HA 0.263 4.599 4.340 -0.008 0.000 0.288 665 Q C 0.598 176.580 176.000 -0.031 0.000 0.974 665 Q CA -0.136 55.617 55.803 -0.083 0.000 0.849 665 Q CB 0.246 28.948 28.738 -0.060 0.000 1.280 665 Q HN 0.612 nan 8.270 nan 0.000 0.441 666 I N -1.564 118.975 120.570 -0.053 0.000 3.637 666 I HA 0.278 4.443 4.170 -0.008 0.000 0.342 666 I C 0.385 176.445 176.117 -0.096 0.000 1.545 666 I CA -0.646 60.633 61.300 -0.035 0.000 1.126 666 I CB 0.293 38.268 38.000 -0.042 0.000 1.375 666 I HN -0.004 nan 8.210 nan 0.000 0.467 667 S N 0.344 115.987 115.700 -0.094 0.000 2.584 667 S HA 0.226 4.692 4.470 -0.008 0.000 0.270 667 S C 0.547 175.123 174.600 -0.041 0.000 1.346 667 S CA -0.320 57.842 58.200 -0.064 0.000 1.018 667 S CB 0.528 63.738 63.200 0.016 0.000 0.899 667 S HN 0.389 nan 8.310 nan 0.000 0.542 668 T N 2.596 117.160 114.554 0.016 0.000 2.888 668 T HA 0.408 4.754 4.350 -0.008 0.000 0.301 668 T C 0.730 175.434 174.700 0.006 0.000 1.001 668 T CA 0.200 62.314 62.100 0.025 0.000 1.147 668 T CB 0.093 69.045 68.868 0.139 0.000 0.931 668 T HN 1.005 nan 8.240 nan 0.000 0.541 669 A N 2.618 125.411 122.820 -0.046 0.000 2.580 669 A HA 0.441 4.756 4.320 -0.008 0.000 0.244 669 A C 1.652 179.224 177.584 -0.019 0.000 1.045 669 A CA 0.342 52.349 52.037 -0.050 0.000 0.761 669 A CB -0.928 18.030 19.000 -0.071 0.000 0.962 669 A HN 1.698 nan 8.150 nan 0.000 0.512 670 G N 1.379 110.167 108.800 -0.020 0.000 2.176 670 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.232 670 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.232 670 G C 0.916 175.801 174.900 -0.024 0.000 0.986 670 G CA 1.139 46.229 45.100 -0.016 0.000 0.643 670 G HN 2.010 nan 8.290 nan 0.000 0.522 671 T N -2.443 112.098 114.554 -0.023 0.000 3.034 671 T HA 0.404 4.750 4.350 -0.008 0.000 0.248 671 T C 0.768 175.334 174.700 -0.224 0.000 1.040 671 T CA 1.107 63.133 62.100 -0.123 0.000 1.107 671 T CB 0.545 69.389 68.868 -0.039 0.000 0.932 671 T HN 0.271 nan 8.240 nan 0.000 0.474 672 E N 1.516 121.709 120.200 -0.013 0.000 2.001 672 E HA 0.672 5.017 4.350 -0.008 0.000 0.279 672 E C 1.184 177.744 176.600 -0.066 0.000 1.045 672 E CA 0.027 56.460 56.400 0.055 0.000 0.833 672 E CB 0.684 30.461 29.700 0.128 0.000 1.077 672 E HN 0.337 nan 8.360 nan 0.000 0.397 673 A N 3.397 126.106 122.820 -0.185 0.000 1.896 673 A HA -0.266 4.049 4.320 -0.008 0.000 0.220 673 A C 1.989 179.466 177.584 -0.178 0.000 1.206 673 A CA 2.482 54.295 52.037 -0.374 0.000 0.647 673 A CB -0.341 18.224 19.000 -0.725 0.000 0.828 673 A HN 0.614 nan 8.150 nan 0.000 0.455 674 S N -4.154 111.490 115.700 -0.093 0.000 3.984 674 S HA 0.452 4.917 4.470 -0.008 0.000 0.221 674 S C 0.704 175.296 174.600 -0.013 0.000 1.149 674 S CA 1.372 59.559 58.200 -0.021 0.000 0.950 674 S CB -0.130 63.080 63.200 0.017 0.000 1.216 674 S HN 2.357 nan 8.310 nan 0.000 0.547 675 G N 0.284 109.082 108.800 -0.003 0.000 2.705 675 G HA2 -0.033 3.922 3.960 -0.008 0.000 0.686 675 G HA3 -0.033 3.922 3.960 -0.008 0.000 0.686 675 G C 0.236 175.122 174.900 -0.024 0.000 1.285 675 G CA 0.447 45.542 45.100 -0.008 0.000 0.800 675 G HN 1.364 nan 8.290 nan 0.000 0.611 676 T N -2.091 112.435 114.554 -0.045 0.000 3.029 676 T HA 0.384 4.729 4.350 -0.008 0.000 0.256 676 T C 2.346 176.957 174.700 -0.149 0.000 0.914 676 T CA 1.241 63.288 62.100 -0.088 0.000 0.880 676 T CB 0.323 69.132 68.868 -0.098 0.000 1.246 676 T HN 1.889 nan 8.240 nan 0.000 0.523 677 G N 3.168 111.908 108.800 -0.100 0.000 2.442 677 G HA2 -0.263 3.692 3.960 -0.008 0.000 0.219 677 G HA3 -0.263 3.692 3.960 -0.008 0.000 0.219 677 G C 1.452 176.409 174.900 0.096 0.000 1.141 677 G CA 1.179 46.245 45.100 -0.057 0.000 0.763 677 G HN 0.826 nan 8.290 nan 0.000 0.554 678 N N 0.186 118.914 118.700 0.045 0.000 2.094 678 N HA -0.174 4.561 4.740 -0.008 0.000 0.191 678 N C 2.219 177.731 175.510 0.004 0.000 1.023 678 N CA 1.448 54.520 53.050 0.038 0.000 0.857 678 N CB -0.371 38.091 38.487 -0.042 0.000 1.013 678 N HN 0.351 nan 8.380 nan 0.000 0.426 679 M N 0.776 120.315 119.600 -0.102 0.000 2.175 679 M HA -0.039 4.436 4.480 -0.008 0.000 0.264 679 M C 2.037 178.296 176.300 -0.068 0.000 1.063 679 M CA 1.475 56.697 55.300 -0.129 0.000 1.119 679 M CB -0.107 32.426 32.600 -0.110 0.000 1.377 679 M HN 0.114 nan 8.290 nan 0.000 0.415 680 K N 0.085 120.380 120.400 -0.175 0.000 2.032 680 K HA -0.125 4.191 4.320 -0.008 0.000 0.209 680 K C 1.712 178.210 176.600 -0.169 0.000 1.048 680 K CA 1.456 57.576 56.287 -0.278 0.000 0.927 680 K CB -0.329 31.777 32.500 -0.656 0.000 0.712 680 K HN 0.155 nan 8.250 nan 0.000 0.441 681 F N 1.064 120.944 119.950 -0.117 0.000 2.171 681 F HA -0.122 4.400 4.527 -0.008 0.000 0.300 681 F C 2.547 178.319 175.800 -0.047 0.000 1.090 681 F CA 1.170 59.125 58.000 -0.075 0.000 1.293 681 F CB -0.255 38.689 39.000 -0.093 0.000 1.013 681 F HN 0.013 nan 8.300 nan 0.000 0.486 682 M N -0.544 119.138 119.600 0.137 0.000 2.175 682 M HA -0.163 4.312 4.480 -0.008 0.000 0.264 682 M C 2.029 178.383 176.300 0.089 0.000 1.063 682 M CA 1.487 56.839 55.300 0.087 0.000 1.119 682 M CB -0.171 32.474 32.600 0.075 0.000 1.377 682 M HN 0.256 nan 8.290 nan 0.000 0.415 683 L N 0.817 122.092 121.223 0.087 0.000 2.291 683 L HA -0.048 4.287 4.340 -0.008 0.000 0.214 683 L C 1.287 178.204 176.870 0.078 0.000 1.120 683 L CA 1.533 56.432 54.840 0.098 0.000 0.799 683 L CB -0.580 41.549 42.059 0.117 0.000 0.925 683 L HN 0.338 nan 8.230 nan 0.000 0.446 684 N N -0.148 118.587 118.700 0.058 0.000 2.251 684 N HA 0.164 4.899 4.740 -0.008 0.000 0.217 684 N C 0.867 176.409 175.510 0.054 0.000 1.124 684 N CA 0.788 53.864 53.050 0.044 0.000 0.843 684 N CB 0.532 39.020 38.487 0.002 0.000 1.024 684 N HN 0.407 nan 8.380 nan 0.000 0.501 685 G N 0.437 109.275 108.800 0.063 0.000 2.132 685 G HA2 -0.201 3.755 3.960 -0.008 0.000 0.228 685 G HA3 -0.201 3.755 3.960 -0.008 0.000 0.228 685 G C -0.013 174.954 174.900 0.112 0.000 1.000 685 G CA 0.136 45.276 45.100 0.066 0.000 0.693 685 G HN 0.524 nan 8.290 nan 0.000 0.515 686 A N -0.468 122.426 122.820 0.124 0.000 2.325 686 A HA 0.883 5.198 4.320 -0.008 0.000 0.333 686 A C -0.129 177.464 177.584 0.016 0.000 1.155 686 A CA -0.645 51.487 52.037 0.158 0.000 0.814 686 A CB 1.371 20.534 19.000 0.273 0.000 1.206 686 A HN 0.763 nan 8.150 nan 0.000 0.482 687 L N 0.876 122.077 121.223 -0.036 0.000 2.379 687 L HA 0.532 4.868 4.340 -0.008 0.000 0.269 687 L C 0.552 177.294 176.870 -0.212 0.000 1.084 687 L CA 0.568 55.274 54.840 -0.223 0.000 0.802 687 L CB 1.562 43.385 42.059 -0.393 0.000 1.175 687 L HN 0.734 nan 8.230 nan 0.000 0.448 688 T N 4.210 118.501 114.554 -0.437 0.000 2.771 688 T HA 0.513 4.858 4.350 -0.008 0.000 0.281 688 T C -0.308 174.259 174.700 -0.221 0.000 0.982 688 T CA -0.182 61.648 62.100 -0.450 0.000 0.978 688 T CB 0.850 69.257 68.868 -0.767 0.000 0.930 688 T HN 0.438 nan 8.240 nan 0.000 0.447 689 I N 3.012 123.556 120.570 -0.044 0.000 2.362 689 I HA 0.731 4.896 4.170 -0.008 0.000 0.289 689 I C 0.066 176.331 176.117 0.247 0.000 0.994 689 I CA 0.071 61.464 61.300 0.154 0.000 1.158 689 I CB 0.389 38.412 38.000 0.038 0.000 1.315 689 I HN 0.791 nan 8.210 nan 0.000 0.451 690 G N 3.966 113.000 108.800 0.391 0.000 2.506 690 G HA2 0.420 4.375 3.960 -0.008 0.000 0.292 690 G HA3 0.420 4.375 3.960 -0.008 0.000 0.292 690 G C -0.943 173.902 174.900 -0.091 0.000 1.425 690 G CA -0.339 44.907 45.100 0.244 0.000 0.788 690 G HN 0.591 nan 8.290 nan 0.000 0.490 691 T N -1.485 112.880 114.554 -0.316 0.000 2.874 691 T HA 0.528 4.873 4.350 -0.008 0.000 0.281 691 T C 0.732 175.314 174.700 -0.197 0.000 0.994 691 T CA -0.674 61.158 62.100 -0.447 0.000 1.015 691 T CB 1.169 69.781 68.868 -0.426 0.000 1.028 691 T HN 0.274 nan 8.240 nan 0.000 0.523 692 M N 2.856 122.348 119.600 -0.179 0.000 3.436 692 M HA 0.312 4.787 4.480 -0.008 0.000 0.240 692 M C -0.453 175.790 176.300 -0.095 0.000 1.469 692 M CA -0.036 55.194 55.300 -0.116 0.000 1.622 692 M CB -1.742 30.797 32.600 -0.101 0.000 1.098 692 M HN 0.730 nan 8.290 nan 0.000 0.568 693 D N -0.111 120.239 120.400 -0.083 0.000 2.527 693 D HA 0.682 5.317 4.640 -0.008 0.000 0.233 693 D C 0.750 177.026 176.300 -0.041 0.000 1.063 693 D CA 0.674 54.640 54.000 -0.057 0.000 0.880 693 D CB 1.745 42.514 40.800 -0.053 0.000 1.457 693 D HN 0.587 nan 8.370 nan 0.000 0.475 694 G N 1.517 110.303 108.800 -0.024 0.000 2.627 694 G HA2 -0.270 3.685 3.960 -0.008 0.000 0.312 694 G HA3 -0.270 3.685 3.960 -0.008 0.000 0.312 694 G C 1.064 175.955 174.900 -0.013 0.000 1.299 694 G CA 1.223 46.314 45.100 -0.014 0.000 0.989 694 G HN 1.037 nan 8.290 nan 0.000 0.547 695 A N -0.412 122.397 122.820 -0.019 0.000 2.168 695 A HA 0.046 4.361 4.320 -0.008 0.000 0.215 695 A C 2.136 179.655 177.584 -0.108 0.000 1.152 695 A CA 1.937 53.957 52.037 -0.028 0.000 0.716 695 A CB -0.465 18.508 19.000 -0.045 0.000 0.794 695 A HN 0.628 nan 8.150 nan 0.000 0.465 696 N N 0.501 119.143 118.700 -0.096 0.000 2.137 696 N HA -0.149 4.586 4.740 -0.008 0.000 0.190 696 N C 1.588 176.968 175.510 -0.217 0.000 1.017 696 N CA 1.597 54.581 53.050 -0.111 0.000 0.859 696 N CB -0.613 37.861 38.487 -0.023 0.000 1.002 696 N HN 0.307 nan 8.380 nan 0.000 0.428 697 V N 1.290 121.121 119.914 -0.137 0.000 2.343 697 V HA -0.207 3.909 4.120 -0.008 0.000 0.247 697 V C 1.959 177.978 176.094 -0.125 0.000 1.051 697 V CA 1.674 63.892 62.300 -0.136 0.000 1.036 697 V CB -0.493 31.285 31.823 -0.075 0.000 0.654 697 V HN 0.348 nan 8.190 nan 0.000 0.451 698 E N -0.532 119.650 120.200 -0.030 0.000 2.158 698 E HA -0.117 4.229 4.350 -0.008 0.000 0.191 698 E C 2.212 178.917 176.600 0.175 0.000 0.982 698 E CA 1.004 57.463 56.400 0.099 0.000 0.823 698 E CB -0.185 29.662 29.700 0.245 0.000 0.766 698 E HN 0.541 nan 8.360 nan 0.000 0.468 699 M N 0.553 120.135 119.600 -0.031 0.000 2.086 699 M HA -0.133 4.342 4.480 -0.008 0.000 0.261 699 M C 2.505 178.553 176.300 -0.419 0.000 1.067 699 M CA 1.555 56.756 55.300 -0.165 0.000 1.116 699 M CB -0.199 32.182 32.600 -0.366 0.000 1.348 699 M HN 0.136 nan 8.290 nan 0.000 0.407 700 A N -0.220 122.050 122.820 -0.917 0.000 1.969 700 A HA -0.201 4.114 4.320 -0.008 0.000 0.218 700 A C 1.993 179.360 177.584 -0.363 0.000 1.169 700 A CA 1.844 53.276 52.037 -1.009 0.000 0.635 700 A CB -0.758 17.683 19.000 -0.931 0.000 0.810 700 A HN 0.584 nan 8.150 nan 0.000 0.445 701 E N -0.407 119.658 120.200 -0.225 0.000 2.106 701 E HA -0.197 4.149 4.350 -0.008 0.000 0.192 701 E C 1.733 178.301 176.600 -0.053 0.000 0.984 701 E CA 1.144 57.481 56.400 -0.105 0.000 0.806 701 E CB -0.043 29.617 29.700 -0.067 0.000 0.750 701 E HN 0.542 nan 8.360 nan 0.000 0.458 702 E N 0.054 120.250 120.200 -0.006 0.000 2.072 702 E HA -0.109 4.236 4.350 -0.008 0.000 0.190 702 E C 1.814 178.436 176.600 0.037 0.000 0.982 702 E CA 1.095 57.516 56.400 0.035 0.000 0.803 702 E CB -0.101 29.675 29.700 0.127 0.000 0.755 702 E HN 0.344 nan 8.360 nan 0.000 0.453 703 A N 0.317 123.164 122.820 0.044 0.000 2.081 703 A HA 0.351 4.667 4.320 -0.008 0.000 0.214 703 A C 1.036 178.637 177.584 0.028 0.000 1.158 703 A CA 1.091 53.170 52.037 0.070 0.000 0.724 703 A CB 0.096 19.198 19.000 0.171 0.000 0.826 703 A HN 0.244 nan 8.150 nan 0.000 0.463 704 G N -0.451 108.339 108.800 -0.018 0.000 3.225 704 G HA2 -0.066 3.889 3.960 -0.008 0.000 0.686 704 G HA3 -0.066 3.889 3.960 -0.008 0.000 0.686 704 G C -0.078 174.803 174.900 -0.031 0.000 1.105 704 G CA -0.029 45.053 45.100 -0.029 0.000 0.831 704 G HN 0.245 nan 8.290 nan 0.000 0.578 705 E N 0.962 121.129 120.200 -0.055 0.000 2.267 705 E HA -0.167 4.179 4.350 -0.008 0.000 0.197 705 E C 1.946 178.530 176.600 -0.025 0.000 0.998 705 E CA 1.714 58.090 56.400 -0.040 0.000 0.830 705 E CB 0.088 29.760 29.700 -0.047 0.000 0.751 705 E HN 0.769 nan 8.360 nan 0.000 0.491 706 E N 0.748 120.920 120.200 -0.046 0.000 2.268 706 E HA -0.077 4.269 4.350 -0.008 0.000 0.195 706 E C 0.960 177.468 176.600 -0.152 0.000 0.995 706 E CA 0.606 56.956 56.400 -0.083 0.000 0.836 706 E CB -0.002 29.663 29.700 -0.060 0.000 0.763 706 E HN 0.157 nan 8.360 nan 0.000 0.491 707 N N -0.268 118.374 118.700 -0.097 0.000 2.251 707 N HA 0.147 4.882 4.740 -0.008 0.000 0.217 707 N C -0.970 174.452 175.510 -0.147 0.000 1.124 707 N CA 0.093 53.055 53.050 -0.147 0.000 0.843 707 N CB 0.362 38.822 38.487 -0.045 0.000 1.024 707 N HN 0.042 nan 8.380 nan 0.000 0.501 708 F N -0.419 119.298 119.950 -0.387 0.000 2.576 708 F HA 0.410 4.932 4.527 -0.009 0.000 0.313 708 F C -0.759 174.782 175.800 -0.431 0.000 1.078 708 F CA -1.109 56.696 58.000 -0.324 0.000 0.921 708 F CB 1.342 40.254 39.000 -0.147 0.000 1.232 708 F HN -0.216 nan 8.300 nan 0.000 0.459 709 F N 5.212 125.163 119.950 0.001 0.000 2.359 709 F HA 0.380 4.903 4.527 -0.008 0.000 0.355 709 F C -0.262 175.668 175.800 0.216 0.000 1.132 709 F CA -0.579 57.459 58.000 0.064 0.000 1.246 709 F CB -0.073 38.908 39.000 -0.031 0.000 1.569 709 F HN -0.005 nan 8.300 nan 0.000 0.561 710 I N 3.784 124.556 120.570 0.336 0.000 2.440 710 I HA 0.394 4.559 4.170 -0.008 0.000 0.294 710 I C -0.054 176.253 176.117 0.315 0.000 0.995 710 I CA -0.669 60.797 61.300 0.276 0.000 1.306 710 I CB 0.820 38.902 38.000 0.136 0.000 1.407 710 I HN 0.357 nan 8.210 nan 0.000 0.501 711 F N 2.173 122.183 119.950 0.100 0.000 2.831 711 F HA 0.834 5.356 4.527 -0.008 0.000 0.318 711 F C -0.001 175.834 175.800 0.058 0.000 1.174 711 F CA -0.482 57.568 58.000 0.083 0.000 0.918 711 F CB 0.917 39.980 39.000 0.105 0.000 1.364 711 F HN 0.810 nan 8.300 nan 0.000 0.475 712 G N 0.838 109.669 108.800 0.052 0.000 2.828 712 G HA2 -0.098 3.858 3.960 -0.008 0.000 0.463 712 G HA3 -0.098 3.858 3.960 -0.008 0.000 0.463 712 G C -0.798 174.056 174.900 -0.078 0.000 1.394 712 G CA -0.515 44.548 45.100 -0.062 0.000 0.862 712 G HN 0.956 nan 8.290 nan 0.000 0.540 713 M N 0.109 119.678 119.600 -0.051 0.000 2.252 713 M HA 0.354 4.829 4.480 -0.008 0.000 0.333 713 M C 1.081 177.338 176.300 -0.071 0.000 1.111 713 M CA 0.207 55.488 55.300 -0.033 0.000 1.140 713 M CB 0.486 33.077 32.600 -0.015 0.000 1.538 713 M HN 0.573 nan 8.290 nan 0.000 0.448 714 R N 0.803 121.276 120.500 -0.045 0.000 2.549 714 R HA 0.314 4.649 4.340 -0.008 0.000 0.259 714 R C 1.034 177.310 176.300 -0.041 0.000 1.095 714 R CA -0.514 55.555 56.100 -0.052 0.000 1.148 714 R CB 0.328 30.605 30.300 -0.037 0.000 1.181 714 R HN 0.564 nan 8.270 nan 0.000 0.571 715 V N 1.178 121.067 119.914 -0.041 0.000 2.324 715 V HA -0.264 3.852 4.120 -0.008 0.000 0.250 715 V C 1.527 177.607 176.094 -0.024 0.000 1.060 715 V CA 2.074 64.354 62.300 -0.033 0.000 1.042 715 V CB -0.487 31.315 31.823 -0.035 0.000 0.650 715 V HN 0.640 nan 8.190 nan 0.000 0.450 716 E N 0.150 120.338 120.200 -0.020 0.000 2.110 716 E HA -0.185 4.160 4.350 -0.008 0.000 0.193 716 E C 1.978 178.578 176.600 0.000 0.000 0.988 716 E CA 1.401 57.795 56.400 -0.011 0.000 0.804 716 E CB -0.382 29.313 29.700 -0.009 0.000 0.745 716 E HN 0.631 nan 8.360 nan 0.000 0.458 717 D N -0.031 120.371 120.400 0.003 0.000 2.144 717 D HA -0.106 4.529 4.640 -0.008 0.000 0.200 717 D C 1.977 178.289 176.300 0.020 0.000 0.978 717 D CA 0.942 54.954 54.000 0.020 0.000 0.833 717 D CB -0.020 40.794 40.800 0.024 0.000 0.961 717 D HN 0.069 nan 8.370 nan 0.000 0.470 718 V N 1.959 121.872 119.914 -0.002 0.000 2.343 718 V HA -0.208 3.908 4.120 -0.008 0.000 0.247 718 V C 2.000 178.092 176.094 -0.004 0.000 1.051 718 V CA 1.662 63.954 62.300 -0.014 0.000 1.036 718 V CB -0.377 31.428 31.823 -0.031 0.000 0.654 718 V HN 0.050 nan 8.190 nan 0.000 0.451 719 D N -0.269 120.130 120.400 -0.003 0.000 2.117 719 D HA -0.120 4.515 4.640 -0.008 0.000 0.198 719 D C 2.417 178.728 176.300 0.018 0.000 0.982 719 D CA 0.999 55.000 54.000 0.002 0.000 0.828 719 D CB -0.263 40.534 40.800 -0.005 0.000 0.967 719 D HN 0.339 nan 8.370 nan 0.000 0.464 720 R N 0.364 120.879 120.500 0.025 0.000 2.083 720 R HA -0.084 4.252 4.340 -0.008 0.000 0.237 720 R C 2.534 178.869 176.300 0.058 0.000 1.137 720 R CA 0.542 56.665 56.100 0.038 0.000 0.951 720 R CB -0.645 29.680 30.300 0.042 0.000 0.851 720 R HN 0.245 nan 8.270 nan 0.000 0.434 721 L N 0.844 122.111 121.223 0.073 0.000 2.131 721 L HA -0.208 4.127 4.340 -0.008 0.000 0.210 721 L C 1.621 178.558 176.870 0.112 0.000 1.092 721 L CA 1.321 56.232 54.840 0.119 0.000 0.759 721 L CB -0.275 41.869 42.059 0.142 0.000 0.903 721 L HN 0.205 nan 8.230 nan 0.000 0.435 722 D N -1.022 119.417 120.400 0.065 0.000 2.183 722 D HA -0.144 4.491 4.640 -0.008 0.000 0.203 722 D C 2.266 178.597 176.300 0.052 0.000 0.969 722 D CA 0.686 54.719 54.000 0.055 0.000 0.842 722 D CB 0.077 40.888 40.800 0.019 0.000 0.957 722 D HN 0.353 nan 8.370 nan 0.000 0.484 723 Q N 0.698 120.524 119.800 0.043 0.000 1.993 723 Q HA -0.124 4.211 4.340 -0.008 0.000 0.202 723 Q C 2.288 178.315 176.000 0.046 0.000 0.984 723 Q CA 0.945 56.770 55.803 0.036 0.000 0.837 723 Q CB -0.512 28.244 28.738 0.030 0.000 0.902 723 Q HN 0.281 nan 8.270 nan 0.000 0.423 724 R N -0.052 120.483 120.500 0.057 0.000 2.083 724 R HA -0.073 4.262 4.340 -0.008 0.000 0.237 724 R C 0.143 176.486 176.300 0.070 0.000 1.137 724 R CA 1.210 57.347 56.100 0.063 0.000 0.951 724 R CB -0.072 30.275 30.300 0.077 0.000 0.851 724 R HN 0.416 nan 8.270 nan 0.000 0.434 725 G N -0.940 107.919 108.800 0.098 0.000 3.438 725 G HA2 -0.214 3.741 3.960 -0.008 0.000 0.684 725 G HA3 -0.214 3.741 3.960 -0.008 0.000 0.684 725 G C -1.459 173.539 174.900 0.164 0.000 1.192 725 G CA -0.502 44.663 45.100 0.108 0.000 1.013 725 G HN 0.274 nan 8.290 nan 0.000 0.530 726 Y N 3.917 124.254 120.300 0.063 0.000 2.480 726 Y HA 0.532 5.078 4.550 -0.008 0.000 0.341 726 Y C 0.373 176.335 175.900 0.104 0.000 1.031 726 Y CA -0.836 57.321 58.100 0.095 0.000 1.295 726 Y CB 0.835 39.330 38.460 0.059 0.000 1.162 726 Y HN 0.552 nan 8.280 nan 0.000 0.523 727 N N 5.213 123.691 118.700 -0.371 0.000 2.569 727 N HA 0.280 5.016 4.740 -0.008 0.000 0.254 727 N C 0.156 175.420 175.510 -0.409 0.000 1.004 727 N CA 0.314 53.165 53.050 -0.332 0.000 0.904 727 N CB 1.572 39.994 38.487 -0.109 0.000 1.165 727 N HN 0.867 nan 8.380 nan 0.000 0.513 728 A N 3.119 125.610 122.820 -0.547 0.000 1.972 728 A HA -0.207 4.108 4.320 -0.008 0.000 0.219 728 A C 1.943 179.669 177.584 0.238 0.000 1.169 728 A CA 1.359 53.317 52.037 -0.132 0.000 0.635 728 A CB -0.331 18.515 19.000 -0.255 0.000 0.810 728 A HN 0.753 nan 8.150 nan 0.000 0.446 729 Q N 0.292 120.126 119.800 0.056 0.000 2.112 729 Q HA -0.248 4.088 4.340 -0.008 0.000 0.206 729 Q C 1.895 177.976 176.000 0.134 0.000 0.987 729 Q CA 2.381 58.233 55.803 0.081 0.000 0.858 729 Q CB -0.382 28.358 28.738 0.003 0.000 0.905 729 Q HN 0.771 nan 8.270 nan 0.000 0.420 730 E N -1.406 118.814 120.200 0.033 0.000 2.070 730 E HA -0.250 4.096 4.350 -0.008 0.000 0.197 730 E C 1.625 178.157 176.600 -0.114 0.000 1.004 730 E CA 1.576 57.923 56.400 -0.088 0.000 0.805 730 E CB -0.241 29.314 29.700 -0.241 0.000 0.744 730 E HN 0.595 nan 8.360 nan 0.000 0.451 731 Y N -1.174 119.197 120.300 0.118 0.000 2.242 731 Y HA -0.198 4.347 4.550 -0.008 0.000 0.291 731 Y C 2.187 178.085 175.900 -0.004 0.000 1.137 731 Y CA 1.458 59.612 58.100 0.090 0.000 1.181 731 Y CB -0.618 37.949 38.460 0.177 0.000 0.989 731 Y HN 0.241 nan 8.280 nan 0.000 0.527 732 Y N 1.265 121.596 120.300 0.050 0.000 2.224 732 Y HA -0.257 4.288 4.550 -0.008 0.000 0.289 732 Y C 1.790 177.656 175.900 -0.057 0.000 1.146 732 Y CA 1.791 59.844 58.100 -0.078 0.000 1.182 732 Y CB -0.338 38.130 38.460 0.014 0.000 0.983 732 Y HN 0.090 nan 8.280 nan 0.000 0.524 733 D N -0.311 120.193 120.400 0.174 0.000 2.183 733 D HA -0.084 4.552 4.640 -0.008 0.000 0.203 733 D C 1.808 178.090 176.300 -0.029 0.000 0.969 733 D CA 1.061 55.106 54.000 0.076 0.000 0.842 733 D CB -0.092 40.763 40.800 0.092 0.000 0.957 733 D HN 0.483 nan 8.370 nan 0.000 0.484 734 R N 0.072 120.550 120.500 -0.037 0.000 2.300 734 R HA 0.253 4.588 4.340 -0.008 0.000 0.199 734 R C 0.465 176.741 176.300 -0.040 0.000 0.920 734 R CA 0.118 56.194 56.100 -0.040 0.000 1.046 734 R CB 0.959 31.233 30.300 -0.044 0.000 0.984 734 R HN 0.165 nan 8.270 nan 0.000 0.493 735 I N 2.088 122.612 120.570 -0.077 0.000 2.437 735 I HA 0.220 4.385 4.170 -0.008 0.000 0.279 735 I C -1.943 174.072 176.117 -0.169 0.000 1.028 735 I CA -2.387 58.867 61.300 -0.076 0.000 1.142 735 I CB 2.229 40.210 38.000 -0.031 0.000 1.266 735 I HN -0.301 nan 8.210 nan 0.000 0.461 736 P HA -0.188 nan 4.420 nan 0.000 0.215 736 P C 1.194 178.394 177.300 -0.167 0.000 1.157 736 P CA 1.493 64.501 63.100 -0.153 0.000 0.874 736 P CB 0.291 31.936 31.700 -0.092 0.000 0.790 737 E N -1.030 119.110 120.200 -0.101 0.000 2.118 737 E HA -0.187 4.158 4.350 -0.008 0.000 0.195 737 E C 1.888 178.378 176.600 -0.183 0.000 0.992 737 E CA 0.817 57.171 56.400 -0.077 0.000 0.804 737 E CB -0.649 29.079 29.700 0.047 0.000 0.741 737 E HN 0.120 nan 8.360 nan 0.000 0.458 738 L N 1.264 122.290 121.223 -0.329 0.000 2.093 738 L HA -0.118 4.217 4.340 -0.008 0.000 0.208 738 L C 2.335 178.906 176.870 -0.498 0.000 1.085 738 L CA 1.609 56.081 54.840 -0.614 0.000 0.755 738 L CB -0.335 41.221 42.059 -0.838 0.000 0.904 738 L HN -0.086 nan 8.230 nan 0.000 0.435 739 R N -0.748 119.437 120.500 -0.525 0.000 2.073 739 R HA -0.242 4.094 4.340 -0.008 0.000 0.234 739 R C 2.392 178.497 176.300 -0.325 0.000 1.134 739 R CA 1.977 57.667 56.100 -0.683 0.000 0.952 739 R CB -0.372 29.476 30.300 -0.754 0.000 0.850 739 R HN 0.633 nan 8.270 nan 0.000 0.433 740 Q N 0.464 120.121 119.800 -0.238 0.000 2.096 740 Q HA -0.190 4.145 4.340 -0.008 0.000 0.204 740 Q C 2.031 177.968 176.000 -0.105 0.000 0.982 740 Q CA 1.927 57.641 55.803 -0.149 0.000 0.850 740 Q CB -0.116 28.538 28.738 -0.139 0.000 0.901 740 Q HN 0.485 nan 8.270 nan 0.000 0.422 741 I N 0.075 120.578 120.570 -0.112 0.000 2.202 741 I HA -0.273 3.892 4.170 -0.008 0.000 0.242 741 I C 2.042 178.174 176.117 0.026 0.000 1.091 741 I CA 0.739 62.016 61.300 -0.038 0.000 1.368 741 I CB -0.206 37.745 38.000 -0.082 0.000 1.058 741 I HN 0.240 nan 8.210 nan 0.000 0.410 742 I N 0.814 121.395 120.570 0.018 0.000 2.286 742 I HA -0.260 3.906 4.170 -0.008 0.000 0.248 742 I C 2.428 178.642 176.117 0.162 0.000 1.115 742 I CA 1.597 62.982 61.300 0.141 0.000 1.392 742 I CB -0.515 37.660 38.000 0.291 0.000 1.065 742 I HN 0.201 nan 8.210 nan 0.000 0.418 743 E N -0.238 120.035 120.200 0.123 0.000 2.208 743 E HA -0.223 4.123 4.350 -0.008 0.000 0.193 743 E C 2.121 178.783 176.600 0.104 0.000 0.988 743 E CA 0.741 57.211 56.400 0.116 0.000 0.828 743 E CB -0.147 29.597 29.700 0.073 0.000 0.763 743 E HN 0.616 nan 8.360 nan 0.000 0.478 744 Q N 0.477 120.325 119.800 0.079 0.000 2.083 744 Q HA -0.076 4.259 4.340 -0.008 0.000 0.198 744 Q C 2.351 178.530 176.000 0.299 0.000 0.969 744 Q CA 0.837 56.699 55.803 0.097 0.000 0.838 744 Q CB 0.035 28.744 28.738 -0.049 0.000 0.900 744 Q HN 0.288 nan 8.270 nan 0.000 0.436 745 L N -0.043 121.367 121.223 0.312 0.000 2.046 745 L HA -0.176 4.160 4.340 -0.008 0.000 0.208 745 L C 2.410 179.470 176.870 0.316 0.000 1.077 745 L CA 0.960 56.010 54.840 0.350 0.000 0.747 745 L CB -0.354 41.826 42.059 0.201 0.000 0.896 745 L HN 0.140 nan 8.230 nan 0.000 0.432 746 S N -0.288 115.550 115.700 0.230 0.000 2.383 746 S HA -0.140 4.325 4.470 -0.008 0.000 0.227 746 S C 2.045 176.748 174.600 0.171 0.000 1.026 746 S CA 1.500 59.813 58.200 0.189 0.000 0.981 746 S CB -0.188 63.104 63.200 0.153 0.000 0.818 746 S HN 0.601 nan 8.310 nan 0.000 0.472 747 S N 0.285 116.088 115.700 0.172 0.000 2.562 747 S HA 0.351 4.817 4.470 -0.008 0.000 0.221 747 S C 1.408 176.102 174.600 0.155 0.000 0.975 747 S CA 0.622 58.909 58.200 0.145 0.000 0.918 747 S CB 0.019 63.296 63.200 0.129 0.000 0.772 747 S HN 0.772 nan 8.310 nan 0.000 0.531 748 G N 0.801 109.726 108.800 0.209 0.000 2.131 748 G HA2 -0.296 3.660 3.960 -0.008 0.000 0.223 748 G HA3 -0.296 3.660 3.960 -0.008 0.000 0.223 748 G C 0.195 175.194 174.900 0.164 0.000 0.990 748 G CA 0.116 45.328 45.100 0.188 0.000 0.671 748 G HN 0.557 nan 8.290 nan 0.000 0.521 749 F N 0.272 120.235 119.950 0.021 0.000 2.202 749 F HA 0.200 4.722 4.527 -0.008 0.000 0.301 749 F C 1.786 177.408 175.800 -0.296 0.000 1.082 749 F CA 1.882 59.780 58.000 -0.171 0.000 1.313 749 F CB -0.050 38.776 39.000 -0.290 0.000 1.024 749 F HN 0.162 nan 8.300 nan 0.000 0.495 750 F N -0.278 119.803 119.950 0.218 0.000 2.695 750 F HA 0.217 4.740 4.527 -0.008 0.000 0.303 750 F C 0.650 176.554 175.800 0.173 0.000 1.091 750 F CA 0.251 58.334 58.000 0.138 0.000 1.300 750 F CB -0.041 39.070 39.000 0.184 0.000 1.071 750 F HN -0.010 nan 8.300 nan 0.000 0.578 751 S N -1.864 113.987 115.700 0.252 0.000 2.564 751 S HA 0.327 4.792 4.470 -0.008 0.000 0.141 751 S C -2.495 172.131 174.600 0.043 0.000 1.474 751 S CA -1.050 57.227 58.200 0.128 0.000 1.236 751 S CB 0.969 64.200 63.200 0.053 0.000 1.481 751 S HN -0.188 nan 8.310 nan 0.000 0.397 752 P HA -0.148 nan 4.420 nan 0.000 0.213 752 P C 1.317 178.612 177.300 -0.008 0.000 1.170 752 P CA 1.504 64.589 63.100 -0.024 0.000 0.902 752 P CB 0.092 31.757 31.700 -0.059 0.000 0.789 753 K N -0.966 119.430 120.400 -0.008 0.000 2.147 753 K HA -0.104 4.211 4.320 -0.008 0.000 0.205 753 K C 0.676 177.276 176.600 0.000 0.000 1.049 753 K CA 1.069 57.355 56.287 -0.003 0.000 0.936 753 K CB -0.207 32.293 32.500 0.001 0.000 0.722 753 K HN 0.357 nan 8.250 nan 0.000 0.446 754 Q N -0.370 119.428 119.800 -0.004 0.000 2.907 754 Q HA 0.151 4.487 4.340 -0.008 0.000 0.262 754 Q C -2.328 173.664 176.000 -0.014 0.000 0.997 754 Q CA -1.589 54.206 55.803 -0.013 0.000 0.797 754 Q CB 1.627 30.348 28.738 -0.028 0.000 1.228 754 Q HN -0.081 nan 8.270 nan 0.000 0.466 755 P HA -0.240 nan 4.420 nan 0.000 0.217 755 P C 0.637 177.972 177.300 0.058 0.000 1.151 755 P CA 1.478 64.606 63.100 0.047 0.000 0.849 755 P CB 0.215 31.943 31.700 0.046 0.000 0.787 756 D N -1.257 119.162 120.400 0.032 0.000 2.342 756 D HA -0.010 4.625 4.640 -0.008 0.000 0.221 756 D C 1.608 177.909 176.300 0.002 0.000 1.101 756 D CA -0.206 53.820 54.000 0.044 0.000 0.837 756 D CB -0.573 40.254 40.800 0.046 0.000 0.938 756 D HN 0.035 nan 8.370 nan 0.000 0.508 757 L N 0.038 121.199 121.223 -0.104 0.000 2.081 757 L HA -0.094 4.241 4.340 -0.008 0.000 0.212 757 L C 1.082 177.734 176.870 -0.364 0.000 1.080 757 L CA 1.702 56.365 54.840 -0.296 0.000 0.754 757 L CB -0.657 41.052 42.059 -0.583 0.000 0.893 757 L HN -0.006 nan 8.230 nan 0.000 0.433 758 F N -0.505 119.504 119.950 0.099 0.000 2.668 758 F HA 0.149 4.671 4.527 -0.007 0.000 0.297 758 F C 1.854 177.708 175.800 0.090 0.000 1.124 758 F CA -0.149 57.899 58.000 0.080 0.000 1.353 758 F CB -0.285 38.750 39.000 0.058 0.000 0.992 758 F HN 0.109 nan 8.300 nan 0.000 0.524 759 K N -0.223 120.297 120.400 0.200 0.000 2.097 759 K HA -0.183 4.132 4.320 -0.008 0.000 0.206 759 K C 0.928 177.632 176.600 0.173 0.000 1.049 759 K CA 1.959 58.346 56.287 0.168 0.000 0.933 759 K CB -0.228 32.347 32.500 0.125 0.000 0.717 759 K HN 0.104 nan 8.250 nan 0.000 0.442 760 D N 1.409 121.927 120.400 0.197 0.000 2.117 760 D HA -0.090 4.546 4.640 -0.008 0.000 0.197 760 D C 2.107 178.512 176.300 0.176 0.000 0.987 760 D CA 1.177 55.306 54.000 0.215 0.000 0.829 760 D CB -0.133 40.842 40.800 0.292 0.000 0.961 760 D HN 0.312 nan 8.370 nan 0.000 0.460 761 I N 0.598 121.274 120.570 0.176 0.000 2.142 761 I HA -0.230 3.936 4.170 -0.008 0.000 0.240 761 I C 2.479 178.627 176.117 0.051 0.000 1.078 761 I CA 0.698 62.060 61.300 0.104 0.000 1.343 761 I CB -0.293 37.768 38.000 0.102 0.000 1.046 761 I HN -0.112 nan 8.210 nan 0.000 0.405 762 V N 0.995 120.964 119.914 0.092 0.000 2.343 762 V HA -0.333 3.782 4.120 -0.008 0.000 0.247 762 V C 2.168 178.251 176.094 -0.019 0.000 1.051 762 V CA 2.517 64.855 62.300 0.063 0.000 1.036 762 V CB -1.043 30.847 31.823 0.112 0.000 0.654 762 V HN 0.515 nan 8.190 nan 0.000 0.451 763 N N -0.616 118.102 118.700 0.031 0.000 2.104 763 N HA -0.236 4.500 4.740 -0.008 0.000 0.190 763 N C 1.992 177.397 175.510 -0.175 0.000 1.024 763 N CA 1.513 54.592 53.050 0.049 0.000 0.853 763 N CB -0.132 38.464 38.487 0.183 0.000 1.008 763 N HN 0.346 nan 8.380 nan 0.000 0.424 764 M N 0.384 119.816 119.600 -0.280 0.000 2.099 764 M HA -0.119 4.357 4.480 -0.008 0.000 0.262 764 M C 1.614 177.619 176.300 -0.493 0.000 1.067 764 M CA 1.272 56.141 55.300 -0.718 0.000 1.124 764 M CB -0.588 31.860 32.600 -0.253 0.000 1.353 764 M HN 0.220 nan 8.290 nan 0.000 0.410 765 L N 0.766 121.794 121.223 -0.325 0.000 2.042 765 L HA -0.216 4.120 4.340 -0.008 0.000 0.210 765 L C 2.442 178.958 176.870 -0.590 0.000 1.076 765 L CA 1.667 56.236 54.840 -0.451 0.000 0.749 765 L CB -1.128 40.727 42.059 -0.340 0.000 0.893 765 L HN 0.353 nan 8.230 nan 0.000 0.432 766 M N -2.015 117.303 119.600 -0.469 0.000 2.334 766 M HA -0.053 4.422 4.480 -0.008 0.000 0.266 766 M C 1.846 177.738 176.300 -0.681 0.000 1.082 766 M CA 1.352 56.305 55.300 -0.578 0.000 1.141 766 M CB -0.772 31.391 32.600 -0.729 0.000 1.380 766 M HN 0.328 nan 8.290 nan 0.000 0.440 767 H N -1.848 117.130 119.070 -0.153 0.000 2.927 767 H HA 0.183 4.734 4.556 -0.008 0.000 0.255 767 H C 0.182 175.530 175.328 0.033 0.000 0.974 767 H CA 0.689 56.709 56.048 -0.048 0.000 1.199 767 H CB 0.184 29.971 29.762 0.042 0.000 1.447 767 H HN 0.574 nan 8.280 nan 0.000 0.467 768 H N -1.362 117.762 119.070 0.091 0.000 2.825 768 H HA 0.284 4.836 4.556 -0.008 0.000 0.226 768 H C -1.152 174.197 175.328 0.036 0.000 1.414 768 H CA -0.661 55.429 56.048 0.071 0.000 1.198 768 H CB -0.069 29.740 29.762 0.077 0.000 2.013 768 H HN -0.138 nan 8.280 nan 0.000 0.530 769 D N 1.413 121.811 120.400 -0.003 0.000 2.393 769 D HA 0.128 4.763 4.640 -0.008 0.000 0.232 769 D C 0.831 177.073 176.300 -0.096 0.000 1.192 769 D CA -0.400 53.580 54.000 -0.032 0.000 0.882 769 D CB 0.758 41.519 40.800 -0.066 0.000 1.038 769 D HN 0.502 nan 8.370 nan 0.000 0.499 770 R N 2.393 122.737 120.500 -0.260 0.000 2.235 770 R HA -0.015 4.320 4.340 -0.008 0.000 0.213 770 R C 0.578 176.355 176.300 -0.872 0.000 1.059 770 R CA 0.765 56.499 56.100 -0.609 0.000 0.997 770 R CB 0.139 29.891 30.300 -0.914 0.000 0.884 770 R HN 0.409 nan 8.270 nan 0.000 0.462 771 F N 0.510 120.418 119.950 -0.069 0.000 2.639 771 F HA 0.260 4.783 4.527 -0.008 0.000 0.302 771 F C 0.058 175.729 175.800 -0.214 0.000 1.097 771 F CA -0.702 57.238 58.000 -0.100 0.000 1.294 771 F CB 0.139 39.137 39.000 -0.003 0.000 1.027 771 F HN -0.249 nan 8.300 nan 0.000 0.550 772 K N -0.343 119.855 120.400 -0.337 0.000 3.278 772 K HA -0.185 4.130 4.320 -0.008 0.000 0.270 772 K C 1.007 177.487 176.600 -0.200 0.000 0.955 772 K CA 0.190 56.117 56.287 -0.600 0.000 0.723 772 K CB -1.826 30.227 32.500 -0.744 0.000 1.382 772 K HN 0.220 nan 8.250 nan 0.000 0.461 773 V N 0.046 119.920 119.914 -0.067 0.000 2.287 773 V HA -0.290 3.825 4.120 -0.008 0.000 0.248 773 V C 1.975 178.207 176.094 0.230 0.000 1.053 773 V CA 2.290 64.629 62.300 0.066 0.000 1.027 773 V CB -0.504 31.359 31.823 0.067 0.000 0.646 773 V HN 0.512 nan 8.190 nan 0.000 0.447 774 F N 0.270 120.220 119.950 -0.001 0.000 2.171 774 F HA -0.196 4.326 4.527 -0.008 0.000 0.300 774 F C 2.550 178.141 175.800 -0.348 0.000 1.090 774 F CA 0.694 58.642 58.000 -0.086 0.000 1.293 774 F CB -0.435 38.531 39.000 -0.056 0.000 1.013 774 F HN 0.201 nan 8.300 nan 0.000 0.486 775 A N -0.545 122.085 122.820 -0.317 0.000 2.076 775 A HA -0.208 4.107 4.320 -0.008 0.000 0.220 775 A C 1.435 179.000 177.584 -0.033 0.000 1.160 775 A CA 1.961 53.728 52.037 -0.450 0.000 0.653 775 A CB -0.471 18.408 19.000 -0.202 0.000 0.801 775 A HN 0.266 nan 8.150 nan 0.000 0.455 776 D N -3.060 117.387 120.400 0.077 0.000 2.398 776 D HA 0.095 4.731 4.640 -0.008 0.000 0.210 776 D C 1.134 177.599 176.300 0.276 0.000 1.094 776 D CA -0.094 54.027 54.000 0.203 0.000 0.839 776 D CB -0.100 40.826 40.800 0.211 0.000 0.963 776 D HN 0.573 nan 8.370 nan 0.000 0.506 777 Y N 2.255 122.639 120.300 0.140 0.000 2.053 777 Y HA -0.247 4.299 4.550 -0.007 0.000 0.277 777 Y C 2.122 178.110 175.900 0.147 0.000 1.159 777 Y CA 1.965 60.160 58.100 0.159 0.000 1.125 777 Y CB 0.158 38.676 38.460 0.096 0.000 0.969 777 Y HN -0.110 nan 8.280 nan 0.000 0.492 778 E N -0.047 120.238 120.200 0.142 0.000 2.049 778 E HA -0.288 4.057 4.350 -0.008 0.000 0.198 778 E C 2.233 178.808 176.600 -0.043 0.000 1.007 778 E CA 1.717 58.125 56.400 0.013 0.000 0.809 778 E CB -0.251 29.553 29.700 0.172 0.000 0.749 778 E HN 0.618 nan 8.360 nan 0.000 0.450 779 E N -0.425 119.826 120.200 0.086 0.000 2.153 779 E HA -0.195 4.151 4.350 -0.008 0.000 0.194 779 E C 1.882 178.484 176.600 0.004 0.000 0.988 779 E CA 0.579 57.049 56.400 0.115 0.000 0.811 779 E CB -0.051 29.805 29.700 0.260 0.000 0.746 779 E HN 0.245 nan 8.360 nan 0.000 0.466 780 Y N 0.862 120.991 120.300 -0.285 0.000 2.133 780 Y HA -0.218 4.327 4.550 -0.008 0.000 0.287 780 Y C 2.221 177.714 175.900 -0.678 0.000 1.134 780 Y CA 1.606 59.212 58.100 -0.823 0.000 1.133 780 Y CB -0.730 37.327 38.460 -0.672 0.000 0.987 780 Y HN -0.022 nan 8.280 nan 0.000 0.502 781 V N -0.463 119.057 119.914 -0.656 0.000 2.515 781 V HA -0.166 3.949 4.120 -0.008 0.000 0.250 781 V C 2.205 178.042 176.094 -0.428 0.000 1.058 781 V CA 2.248 64.159 62.300 -0.648 0.000 1.064 781 V CB -0.671 30.859 31.823 -0.488 0.000 0.675 781 V HN 0.233 nan 8.190 nan 0.000 0.461 782 K N -0.017 120.205 120.400 -0.296 0.000 2.026 782 K HA -0.104 4.211 4.320 -0.008 0.000 0.208 782 K C 2.287 178.782 176.600 -0.174 0.000 1.048 782 K CA 2.002 58.189 56.287 -0.168 0.000 0.929 782 K CB -1.282 31.173 32.500 -0.075 0.000 0.713 782 K HN 0.665 nan 8.250 nan 0.000 0.439 783 C N 0.857 120.028 119.300 -0.215 0.000 2.425 783 C HA -0.086 4.370 4.460 -0.008 0.000 0.277 783 C C 2.432 177.230 174.990 -0.319 0.000 1.280 783 C CA 0.733 59.652 59.018 -0.164 0.000 1.744 783 C CB -0.715 26.949 27.740 -0.127 0.000 1.989 783 C HN 0.462 nan 8.230 nan 0.000 0.491 784 Q N 0.409 119.879 119.800 -0.551 0.000 2.170 784 Q HA -0.164 4.172 4.340 -0.008 0.000 0.203 784 Q C 1.988 177.775 176.000 -0.355 0.000 0.976 784 Q CA 1.572 57.005 55.803 -0.617 0.000 0.858 784 Q CB -0.365 27.745 28.738 -1.048 0.000 0.907 784 Q HN 0.763 nan 8.270 nan 0.000 0.433 785 E N 0.124 120.174 120.200 -0.250 0.000 2.106 785 E HA -0.115 4.231 4.350 -0.008 0.000 0.192 785 E C 2.042 178.589 176.600 -0.088 0.000 0.984 785 E CA 0.473 56.792 56.400 -0.135 0.000 0.806 785 E CB 0.031 29.674 29.700 -0.095 0.000 0.750 785 E HN 0.258 nan 8.360 nan 0.000 0.458 786 R N 0.449 120.903 120.500 -0.078 0.000 2.115 786 R HA -0.067 4.268 4.340 -0.008 0.000 0.230 786 R C 2.366 178.654 176.300 -0.020 0.000 1.111 786 R CA 0.790 56.911 56.100 0.034 0.000 0.976 786 R CB -0.289 30.107 30.300 0.160 0.000 0.870 786 R HN 0.079 nan 8.270 nan 0.000 0.445 787 V N 0.689 120.400 119.914 -0.338 0.000 2.307 787 V HA -0.214 3.901 4.120 -0.008 0.000 0.245 787 V C 2.197 178.272 176.094 -0.031 0.000 1.045 787 V CA 1.889 63.883 62.300 -0.509 0.000 1.024 787 V CB -0.330 31.080 31.823 -0.689 0.000 0.651 787 V HN 0.270 nan 8.190 nan 0.000 0.449 788 S N 0.194 115.843 115.700 -0.084 0.000 2.382 788 S HA -0.158 4.307 4.470 -0.008 0.000 0.228 788 S C 2.201 176.852 174.600 0.085 0.000 1.027 788 S CA 1.362 59.548 58.200 -0.023 0.000 0.991 788 S CB -0.456 62.703 63.200 -0.070 0.000 0.823 788 S HN 0.647 nan 8.310 nan 0.000 0.469 789 A N 1.272 124.145 122.820 0.089 0.000 1.902 789 A HA 0.028 4.343 4.320 -0.008 0.000 0.217 789 A C 2.082 179.778 177.584 0.186 0.000 1.181 789 A CA 1.016 53.127 52.037 0.123 0.000 0.623 789 A CB -0.642 18.421 19.000 0.105 0.000 0.818 789 A HN 0.461 nan 8.150 nan 0.000 0.443 790 L N -2.063 119.335 121.223 0.291 0.000 2.156 790 L HA -0.123 4.212 4.340 -0.008 0.000 0.208 790 L C 2.430 179.585 176.870 0.475 0.000 1.095 790 L CA 1.505 56.599 54.840 0.424 0.000 0.770 790 L CB -0.369 42.057 42.059 0.611 0.000 0.914 790 L HN 0.593 nan 8.230 nan 0.000 0.439 791 Y N 0.891 121.305 120.300 0.191 0.000 2.403 791 Y HA -0.248 4.298 4.550 -0.006 0.000 0.291 791 Y C 2.372 178.181 175.900 -0.150 0.000 1.143 791 Y CA 1.499 59.411 58.100 -0.313 0.000 1.257 791 Y CB -0.044 38.029 38.460 -0.646 0.000 0.984 791 Y HN 0.042 nan 8.280 nan 0.000 0.550 792 K N -0.088 120.329 120.400 0.028 0.000 2.439 792 K HA -0.098 4.217 4.320 -0.008 0.000 0.197 792 K C 0.353 176.929 176.600 -0.040 0.000 1.041 792 K CA 0.552 56.844 56.287 0.008 0.000 0.970 792 K CB -0.033 32.523 32.500 0.094 0.000 0.773 792 K HN 0.045 nan 8.250 nan 0.000 0.479 793 N N 0.469 119.164 118.700 -0.009 0.000 2.976 793 N HA 0.134 4.869 4.740 -0.008 0.000 0.255 793 N C -2.457 173.054 175.510 0.000 0.000 1.312 793 N CA -2.098 50.957 53.050 0.009 0.000 0.897 793 N CB 1.130 39.658 38.487 0.069 0.000 1.184 793 N HN -0.181 nan 8.380 nan 0.000 0.497 794 P HA -0.238 nan 4.420 nan 0.000 0.219 794 P C 1.422 178.731 177.300 0.015 0.000 1.161 794 P CA 1.414 64.438 63.100 -0.127 0.000 0.909 794 P CB 0.331 31.935 31.700 -0.161 0.000 0.793 795 R N -0.217 120.292 120.500 0.016 0.000 2.083 795 R HA -0.170 4.165 4.340 -0.008 0.000 0.237 795 R C 2.012 178.357 176.300 0.074 0.000 1.137 795 R CA 1.522 57.645 56.100 0.038 0.000 0.951 795 R CB -0.401 29.913 30.300 0.023 0.000 0.851 795 R HN 0.129 nan 8.270 nan 0.000 0.434 796 E N -0.213 120.042 120.200 0.091 0.000 2.208 796 E HA -0.210 4.135 4.350 -0.008 0.000 0.193 796 E C 1.604 178.287 176.600 0.139 0.000 0.988 796 E CA 0.575 57.033 56.400 0.097 0.000 0.828 796 E CB -0.369 29.386 29.700 0.091 0.000 0.763 796 E HN 0.534 nan 8.360 nan 0.000 0.478 797 W N 2.184 123.487 121.300 0.005 0.000 2.379 797 W HA -0.147 4.508 4.660 -0.009 0.000 0.307 797 W C 1.525 178.057 176.519 0.020 0.000 1.200 797 W CA 1.899 59.264 57.345 0.034 0.000 1.297 797 W CB -0.329 29.130 29.460 -0.001 0.000 1.140 797 W HN 0.008 nan 8.180 nan 0.000 0.507 798 T N 1.240 115.949 114.554 0.258 0.000 2.821 798 T HA -0.151 4.194 4.350 -0.008 0.000 0.267 798 T C 1.845 176.566 174.700 0.035 0.000 1.046 798 T CA 1.567 63.747 62.100 0.134 0.000 1.139 798 T CB -0.250 68.672 68.868 0.091 0.000 0.871 798 T HN 0.170 nan 8.240 nan 0.000 0.454 799 R N 0.457 120.980 120.500 0.039 0.000 2.092 799 R HA 0.110 4.446 4.340 -0.008 0.000 0.231 799 R C 2.478 178.772 176.300 -0.010 0.000 1.119 799 R CA 1.111 57.230 56.100 0.030 0.000 0.970 799 R CB -0.326 29.997 30.300 0.038 0.000 0.864 799 R HN 0.366 nan 8.270 nan 0.000 0.440 800 M N 0.515 120.073 119.600 -0.070 0.000 2.175 800 M HA -0.124 4.351 4.480 -0.008 0.000 0.264 800 M C 1.890 178.101 176.300 -0.148 0.000 1.063 800 M CA 1.313 56.531 55.300 -0.137 0.000 1.119 800 M CB 0.213 32.666 32.600 -0.245 0.000 1.377 800 M HN -0.031 nan 8.290 nan 0.000 0.415 801 V N 0.883 120.699 119.914 -0.165 0.000 2.295 801 V HA -0.307 3.808 4.120 -0.008 0.000 0.246 801 V C 2.215 178.294 176.094 -0.023 0.000 1.049 801 V CA 1.986 64.219 62.300 -0.111 0.000 1.024 801 V CB -0.615 31.175 31.823 -0.056 0.000 0.648 801 V HN 0.508 nan 8.190 nan 0.000 0.447 802 I N -0.450 120.127 120.570 0.011 0.000 2.264 802 I HA -0.271 3.894 4.170 -0.008 0.000 0.248 802 I C 2.686 178.851 176.117 0.081 0.000 1.111 802 I CA 1.606 62.957 61.300 0.084 0.000 1.382 802 I CB -0.412 37.683 38.000 0.158 0.000 1.060 802 I HN 0.224 nan 8.210 nan 0.000 0.418 803 R N 0.415 120.941 120.500 0.042 0.000 2.152 803 R HA -0.107 4.229 4.340 -0.008 0.000 0.232 803 R C 2.041 178.373 176.300 0.053 0.000 1.117 803 R CA 1.126 57.250 56.100 0.040 0.000 0.981 803 R CB -0.374 29.933 30.300 0.012 0.000 0.870 803 R HN 0.516 nan 8.270 nan 0.000 0.451 804 N N 0.604 119.328 118.700 0.040 0.000 2.148 804 N HA -0.058 4.677 4.740 -0.008 0.000 0.186 804 N C 1.935 177.503 175.510 0.097 0.000 1.031 804 N CA 1.054 54.149 53.050 0.075 0.000 0.848 804 N CB 0.012 38.511 38.487 0.021 0.000 1.005 804 N HN 0.113 nan 8.380 nan 0.000 0.427 805 I N 1.680 122.295 120.570 0.076 0.000 2.208 805 I HA -0.251 3.915 4.170 -0.008 0.000 0.245 805 I C 2.437 178.608 176.117 0.090 0.000 1.097 805 I CA 0.927 62.279 61.300 0.085 0.000 1.363 805 I CB -0.317 37.727 38.000 0.072 0.000 1.051 805 I HN 0.098 nan 8.210 nan 0.000 0.413 806 A N 0.274 123.147 122.820 0.088 0.000 2.019 806 A HA -0.168 4.147 4.320 -0.008 0.000 0.219 806 A C 2.078 179.703 177.584 0.069 0.000 1.164 806 A CA 2.066 54.148 52.037 0.073 0.000 0.644 806 A CB -0.832 18.214 19.000 0.076 0.000 0.805 806 A HN 0.539 nan 8.150 nan 0.000 0.449 807 T N -2.990 111.618 114.554 0.091 0.000 3.174 807 T HA 0.195 4.541 4.350 -0.008 0.000 0.269 807 T C 1.115 175.910 174.700 0.158 0.000 1.017 807 T CA 0.630 62.788 62.100 0.096 0.000 0.899 807 T CB -0.176 68.747 68.868 0.091 0.000 1.077 807 T HN 0.478 nan 8.240 nan 0.000 0.552 808 S N 0.030 115.842 115.700 0.185 0.000 2.593 808 S HA 0.254 4.719 4.470 -0.008 0.000 0.217 808 S C 2.219 176.953 174.600 0.223 0.000 0.966 808 S CA 0.284 58.670 58.200 0.311 0.000 0.914 808 S CB -0.632 62.722 63.200 0.257 0.000 0.776 808 S HN 0.521 nan 8.310 nan 0.000 0.523 809 G N 2.832 111.688 108.800 0.094 0.000 2.505 809 G HA2 -0.324 3.631 3.960 -0.008 0.000 0.220 809 G HA3 -0.324 3.631 3.960 -0.008 0.000 0.220 809 G C 1.323 176.183 174.900 -0.066 0.000 1.145 809 G CA 1.130 46.252 45.100 0.036 0.000 0.761 809 G HN 0.625 nan 8.290 nan 0.000 0.571 810 K N -0.118 120.131 120.400 -0.250 0.000 2.281 810 K HA -0.038 4.277 4.320 -0.008 0.000 0.203 810 K C 1.240 177.499 176.600 -0.568 0.000 1.046 810 K CA 0.751 56.748 56.287 -0.483 0.000 0.938 810 K CB -0.283 31.765 32.500 -0.752 0.000 0.737 810 K HN 0.405 nan 8.250 nan 0.000 0.458 811 F N 1.026 121.007 119.950 0.052 0.000 2.693 811 F HA 0.124 4.646 4.527 -0.008 0.000 0.303 811 F C 0.778 176.625 175.800 0.078 0.000 1.143 811 F CA -0.533 57.505 58.000 0.062 0.000 1.389 811 F CB 0.357 39.390 39.000 0.056 0.000 1.060 811 F HN -0.108 nan 8.300 nan 0.000 0.535 812 S N 0.251 116.029 115.700 0.129 0.000 2.545 812 S HA 0.090 4.555 4.470 -0.008 0.000 0.275 812 S C 1.402 176.082 174.600 0.133 0.000 1.299 812 S CA -0.283 57.994 58.200 0.129 0.000 1.048 812 S CB 0.855 64.101 63.200 0.077 0.000 0.938 812 S HN 0.335 nan 8.310 nan 0.000 0.496 813 S N 3.211 119.016 115.700 0.175 0.000 2.547 813 S HA -0.065 4.401 4.470 -0.008 0.000 0.235 813 S C 0.871 175.527 174.600 0.093 0.000 0.980 813 S CA 0.610 58.936 58.200 0.210 0.000 0.941 813 S CB -0.297 63.100 63.200 0.329 0.000 0.763 813 S HN 0.783 nan 8.310 nan 0.000 0.532 814 D N 1.778 122.216 120.400 0.063 0.000 2.149 814 D HA -0.043 4.593 4.640 -0.008 0.000 0.201 814 D C 2.111 178.414 176.300 0.005 0.000 0.972 814 D CA 0.633 54.647 54.000 0.023 0.000 0.835 814 D CB -0.279 40.532 40.800 0.019 0.000 0.966 814 D HN 0.289 nan 8.370 nan 0.000 0.476 815 R N 0.895 121.400 120.500 0.009 0.000 2.066 815 R HA -0.074 4.261 4.340 -0.008 0.000 0.232 815 R C 1.843 178.133 176.300 -0.016 0.000 1.131 815 R CA 1.327 57.418 56.100 -0.015 0.000 0.955 815 R CB -0.781 29.496 30.300 -0.037 0.000 0.851 815 R HN 0.089 nan 8.270 nan 0.000 0.432 816 T N 2.329 116.897 114.554 0.024 0.000 2.635 816 T HA -0.131 4.215 4.350 -0.008 0.000 0.267 816 T C 1.924 176.629 174.700 0.008 0.000 1.040 816 T CA 1.467 63.601 62.100 0.058 0.000 1.156 816 T CB -0.138 68.844 68.868 0.190 0.000 0.863 816 T HN 0.115 nan 8.240 nan 0.000 0.430 817 I N 1.595 122.088 120.570 -0.129 0.000 2.315 817 I HA -0.078 4.087 4.170 -0.008 0.000 0.248 817 I C 2.881 178.949 176.117 -0.081 0.000 1.117 817 I CA 0.908 62.089 61.300 -0.198 0.000 1.404 817 I CB -1.566 36.316 38.000 -0.196 0.000 1.071 817 I HN 0.201 nan 8.210 nan 0.000 0.419 818 A N 0.067 122.859 122.820 -0.047 0.000 1.972 818 A HA -0.207 4.108 4.320 -0.008 0.000 0.219 818 A C 2.240 179.782 177.584 -0.071 0.000 1.169 818 A CA 1.214 53.232 52.037 -0.032 0.000 0.635 818 A CB -0.444 18.543 19.000 -0.022 0.000 0.810 818 A HN 0.496 nan 8.150 nan 0.000 0.446 819 Q N -1.937 117.802 119.800 -0.102 0.000 2.137 819 Q HA -0.122 4.213 4.340 -0.008 0.000 0.198 819 Q C 1.844 177.674 176.000 -0.283 0.000 0.960 819 Q CA 1.404 57.107 55.803 -0.167 0.000 0.847 819 Q CB -0.246 28.385 28.738 -0.179 0.000 0.915 819 Q HN 0.823 nan 8.270 nan 0.000 0.448 820 Y N 0.612 120.618 120.300 -0.489 0.000 2.145 820 Y HA -0.265 4.280 4.550 -0.008 0.000 0.286 820 Y C 2.470 177.804 175.900 -0.942 0.000 1.145 820 Y CA 1.255 58.815 58.100 -0.900 0.000 1.148 820 Y CB -0.378 37.229 38.460 -1.422 0.000 0.981 820 Y HN 0.150 nan 8.280 nan 0.000 0.507 821 A N 0.392 122.987 122.820 -0.376 0.000 1.865 821 A HA -0.242 4.073 4.320 -0.008 0.000 0.217 821 A C 2.239 179.836 177.584 0.022 0.000 1.191 821 A CA 2.162 54.224 52.037 0.042 0.000 0.623 821 A CB -0.592 18.504 19.000 0.159 0.000 0.826 821 A HN 0.432 nan 8.150 nan 0.000 0.444 822 R N -0.587 119.887 120.500 -0.043 0.000 2.075 822 R HA -0.036 4.300 4.340 -0.008 0.000 0.226 822 R C 1.840 178.114 176.300 -0.042 0.000 1.114 822 R CA 1.442 57.527 56.100 -0.024 0.000 0.972 822 R CB -0.217 30.064 30.300 -0.032 0.000 0.869 822 R HN 0.681 nan 8.270 nan 0.000 0.437 823 E N -0.344 119.790 120.200 -0.110 0.000 2.447 823 E HA 0.073 4.419 4.350 -0.008 0.000 0.195 823 E C 1.422 177.968 176.600 -0.090 0.000 1.028 823 E CA 0.506 56.845 56.400 -0.101 0.000 0.876 823 E CB 0.493 30.106 29.700 -0.145 0.000 0.885 823 E HN 0.340 nan 8.360 nan 0.000 0.500 824 I N -1.154 119.328 120.570 -0.145 0.000 3.739 824 I HA 0.025 4.191 4.170 -0.008 0.000 0.272 824 I C 1.333 177.577 176.117 0.213 0.000 1.167 824 I CA -0.088 61.180 61.300 -0.053 0.000 1.386 824 I CB 0.225 38.039 38.000 -0.309 0.000 1.490 824 I HN 0.102 nan 8.210 nan 0.000 0.452 825 W N 1.640 123.029 121.300 0.148 0.000 2.658 825 W HA 0.312 4.967 4.660 -0.008 0.000 0.263 825 W C 1.493 178.045 176.519 0.056 0.000 1.274 825 W CA 0.847 58.261 57.345 0.115 0.000 1.343 825 W CB -1.086 28.429 29.460 0.091 0.000 1.106 825 W HN 0.327 nan 8.180 nan 0.000 0.615 826 G N 1.169 110.106 108.800 0.228 0.000 2.256 826 G HA2 -0.101 3.854 3.960 -0.008 0.000 0.272 826 G HA3 -0.101 3.854 3.960 -0.008 0.000 0.272 826 G C -0.333 174.637 174.900 0.116 0.000 1.076 826 G CA 0.235 45.411 45.100 0.127 0.000 0.882 826 G HN 0.428 nan 8.290 nan 0.000 0.497 827 V N -4.236 115.765 119.914 0.145 0.000 2.876 827 V HA 0.892 5.007 4.120 -0.008 0.000 0.312 827 V C -0.354 175.795 176.094 0.091 0.000 1.085 827 V CA -1.710 60.655 62.300 0.108 0.000 0.945 827 V CB 2.339 34.234 31.823 0.120 0.000 1.017 827 V HN 0.128 nan 8.190 nan 0.000 0.428 828 E N 4.247 124.483 120.200 0.060 0.000 2.146 828 E HA 0.490 4.835 4.350 -0.008 0.000 0.282 828 E C -2.434 174.197 176.600 0.052 0.000 0.989 828 E CA -1.722 54.707 56.400 0.049 0.000 0.799 828 E CB 1.798 31.519 29.700 0.035 0.000 1.088 828 E HN 0.757 nan 8.360 nan 0.000 0.397 829 P HA 0.077 nan 4.420 nan 0.000 0.272 829 P C -0.491 176.834 177.300 0.042 0.000 1.230 829 P CA -0.293 62.837 63.100 0.050 0.000 0.788 829 P CB 0.958 32.684 31.700 0.042 0.000 0.949 830 S N 0.943 116.670 115.700 0.045 0.000 2.575 830 S HA 0.343 4.808 4.470 -0.008 0.000 0.278 830 S C 0.146 174.771 174.600 0.040 0.000 1.139 830 S CA -0.834 57.392 58.200 0.043 0.000 0.954 830 S CB 1.128 64.359 63.200 0.053 0.000 1.054 830 S HN 0.304 nan 8.310 nan 0.000 0.483 831 R N 2.621 123.140 120.500 0.033 0.000 2.586 831 R HA 0.203 4.538 4.340 -0.008 0.000 0.306 831 R C -0.205 176.107 176.300 0.021 0.000 1.079 831 R CA -0.084 56.034 56.100 0.031 0.000 1.083 831 R CB 0.233 30.552 30.300 0.031 0.000 1.306 831 R HN 0.667 nan 8.270 nan 0.000 0.567 832 Q N 0.965 120.777 119.800 0.021 0.000 2.286 832 Q HA 0.183 4.518 4.340 -0.008 0.000 0.257 832 Q C -0.331 175.664 176.000 -0.009 0.000 0.941 832 Q CA -0.266 55.542 55.803 0.009 0.000 0.912 832 Q CB 1.218 29.966 28.738 0.017 0.000 1.192 832 Q HN -0.260 nan 8.270 nan 0.000 0.410 833 R N 2.172 122.658 120.500 -0.024 0.000 2.267 833 R HA 0.232 4.568 4.340 -0.008 0.000 0.319 833 R C -0.448 175.815 176.300 -0.063 0.000 1.067 833 R CA -0.013 56.060 56.100 -0.044 0.000 0.936 833 R CB 0.179 30.451 30.300 -0.047 0.000 1.006 833 R HN 0.536 nan 8.270 nan 0.000 0.452 834 L N 5.729 126.899 121.223 -0.088 0.000 2.452 834 L HA 0.244 4.579 4.340 -0.008 0.000 0.267 834 L C -1.604 175.208 176.870 -0.097 0.000 1.188 834 L CA -1.659 53.099 54.840 -0.136 0.000 0.821 834 L CB 0.524 42.471 42.059 -0.186 0.000 1.102 834 L HN 0.394 nan 8.230 nan 0.000 0.470 835 P HA -0.031 nan 4.420 nan 0.000 0.270 835 P C -0.641 176.632 177.300 -0.047 0.000 1.221 835 P CA -0.018 63.047 63.100 -0.059 0.000 0.788 835 P CB 0.483 32.152 31.700 -0.052 0.000 0.904 836 A N 0.000 122.803 122.820 -0.029 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 836 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486