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 1xkx_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT 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 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.052 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.607 119.951 120.570 -0.020 0.000 2.607 13 I HA 0.600 4.764 4.170 -0.009 0.000 0.305 13 I C 0.908 177.025 176.117 -0.000 0.000 0.995 13 I CA -0.241 61.055 61.300 -0.006 0.000 1.148 13 I CB 1.956 39.957 38.000 0.002 0.000 1.323 13 I HN 0.363 nan 8.210 nan 0.000 0.461 14 S N 3.164 118.869 115.700 0.009 0.000 2.365 14 S HA -0.189 4.276 4.470 -0.009 0.000 0.221 14 S C 1.826 176.437 174.600 0.018 0.000 1.037 14 S CA 2.367 60.576 58.200 0.014 0.000 1.060 14 S CB -0.682 62.533 63.200 0.024 0.000 0.974 14 S HN 0.860 nan 8.310 nan 0.000 0.427 15 V N 0.358 120.292 119.914 0.033 0.000 3.099 15 V HA -0.003 4.111 4.120 -0.009 0.000 0.269 15 V C 1.799 177.910 176.094 0.027 0.000 1.150 15 V CA 1.723 64.046 62.300 0.038 0.000 1.165 15 V CB -1.169 30.685 31.823 0.051 0.000 0.756 15 V HN 0.405 nan 8.190 nan 0.000 0.527 16 R N 1.166 121.672 120.500 0.011 0.000 2.356 16 R HA 0.438 4.773 4.340 -0.009 0.000 0.234 16 R C 1.148 177.439 176.300 -0.016 0.000 0.929 16 R CA 0.513 56.612 56.100 -0.002 0.000 1.084 16 R CB -0.013 30.282 30.300 -0.008 0.000 1.105 16 R HN 0.787 nan 8.270 nan 0.000 0.515 17 G N 0.767 109.557 108.800 -0.017 0.000 2.796 17 G HA2 -0.230 3.724 3.960 -0.009 0.000 0.571 17 G HA3 -0.230 3.724 3.960 -0.009 0.000 0.571 17 G C -0.784 174.099 174.900 -0.028 0.000 1.370 17 G CA -1.041 44.041 45.100 -0.031 0.000 0.856 17 G HN -0.005 nan 8.290 nan 0.000 0.538 18 L N 0.223 121.427 121.223 -0.032 0.000 2.399 18 L HA 0.689 5.023 4.340 -0.009 0.000 0.266 18 L C 1.238 178.093 176.870 -0.026 0.000 1.114 18 L CA 0.265 55.090 54.840 -0.025 0.000 0.804 18 L CB 1.060 43.106 42.059 -0.022 0.000 1.146 18 L HN 1.544 nan 8.230 nan 0.000 0.451 19 A N 1.890 124.698 122.820 -0.020 0.000 3.158 19 A HA 0.564 4.879 4.320 -0.009 0.000 0.319 19 A C 0.748 178.327 177.584 -0.008 0.000 1.204 19 A CA -0.337 51.691 52.037 -0.015 0.000 0.992 19 A CB -0.498 18.493 19.000 -0.015 0.000 1.110 19 A HN 0.801 nan 8.150 nan 0.000 0.519 20 G N -0.241 108.554 108.800 -0.008 0.000 2.484 20 G HA2 0.316 4.271 3.960 -0.009 0.000 0.235 20 G HA3 0.316 4.271 3.960 -0.009 0.000 0.235 20 G C 1.025 175.929 174.900 0.006 0.000 1.282 20 G CA 0.061 45.160 45.100 -0.002 0.000 0.857 20 G HN 0.431 nan 8.290 nan 0.000 0.571 21 V N 1.957 121.876 119.914 0.008 0.000 2.255 21 V HA -0.178 3.936 4.120 -0.009 0.000 0.247 21 V C 2.708 178.813 176.094 0.017 0.000 1.051 21 V CA 2.432 64.740 62.300 0.012 0.000 1.018 21 V CB -0.698 31.132 31.823 0.011 0.000 0.641 21 V HN 0.766 nan 8.190 nan 0.000 0.445 22 E N 0.363 120.574 120.200 0.018 0.000 2.077 22 E HA -0.175 4.170 4.350 -0.009 0.000 0.193 22 E C 2.084 178.705 176.600 0.035 0.000 0.989 22 E CA 1.527 57.942 56.400 0.024 0.000 0.800 22 E CB -0.317 29.396 29.700 0.023 0.000 0.746 22 E HN 0.615 nan 8.360 nan 0.000 0.452 23 N N -0.928 117.791 118.700 0.031 0.000 2.188 23 N HA -0.105 4.629 4.740 -0.009 0.000 0.184 23 N C 1.516 177.052 175.510 0.043 0.000 1.018 23 N CA 0.776 53.851 53.050 0.041 0.000 0.858 23 N CB 0.098 38.595 38.487 0.017 0.000 0.989 23 N HN -0.035 nan 8.380 nan 0.000 0.426 24 V N 0.033 119.964 119.914 0.028 0.000 2.427 24 V HA -0.201 3.914 4.120 -0.009 0.000 0.248 24 V C 1.956 178.073 176.094 0.038 0.000 1.051 24 V CA 1.732 64.049 62.300 0.028 0.000 1.048 24 V CB -0.765 31.070 31.823 0.020 0.000 0.666 24 V HN 0.401 nan 8.190 nan 0.000 0.456 25 T N -0.561 114.016 114.554 0.038 0.000 2.777 25 T HA -0.194 4.151 4.350 -0.009 0.000 0.266 25 T C 1.917 176.653 174.700 0.060 0.000 1.040 25 T CA 1.687 63.811 62.100 0.040 0.000 1.141 25 T CB -0.151 68.737 68.868 0.032 0.000 0.868 25 T HN 0.485 nan 8.240 nan 0.000 0.444 26 E N 0.812 121.054 120.200 0.071 0.000 2.077 26 E HA -0.076 4.269 4.350 -0.009 0.000 0.193 26 E C 1.919 178.598 176.600 0.133 0.000 0.989 26 E CA 0.770 57.226 56.400 0.094 0.000 0.800 26 E CB -0.495 29.266 29.700 0.103 0.000 0.746 26 E HN 0.167 nan 8.360 nan 0.000 0.452 27 L N 0.954 122.263 121.223 0.143 0.000 2.012 27 L HA -0.152 4.183 4.340 -0.009 0.000 0.210 27 L C 2.139 179.125 176.870 0.193 0.000 1.073 27 L CA 1.853 56.804 54.840 0.185 0.000 0.748 27 L CB -0.757 41.380 42.059 0.130 0.000 0.891 27 L HN 0.100 nan 8.230 nan 0.000 0.431 28 K N -0.172 120.300 120.400 0.121 0.000 2.032 28 K HA -0.215 4.100 4.320 -0.009 0.000 0.209 28 K C 1.989 178.699 176.600 0.184 0.000 1.048 28 K CA 1.827 58.180 56.287 0.110 0.000 0.927 28 K CB -0.167 32.355 32.500 0.036 0.000 0.712 28 K HN 0.442 nan 8.250 nan 0.000 0.441 29 K N 0.311 120.795 120.400 0.139 0.000 2.097 29 K HA -0.054 4.261 4.320 -0.009 0.000 0.205 29 K C 1.649 178.339 176.600 0.151 0.000 1.050 29 K CA 1.321 57.684 56.287 0.127 0.000 0.938 29 K CB -0.157 32.391 32.500 0.081 0.000 0.718 29 K HN 0.012 nan 8.250 nan 0.000 0.442 30 N N 0.455 119.258 118.700 0.171 0.000 2.270 30 N HA -0.102 4.633 4.740 -0.009 0.000 0.181 30 N C 1.563 177.231 175.510 0.263 0.000 1.016 30 N CA 0.886 54.033 53.050 0.161 0.000 0.870 30 N CB -0.206 38.388 38.487 0.179 0.000 0.979 30 N HN 0.213 nan 8.380 nan 0.000 0.431 31 F N 2.477 122.531 119.950 0.173 0.000 2.102 31 F HA -0.071 4.451 4.527 -0.009 0.000 0.298 31 F C 2.000 177.907 175.800 0.179 0.000 1.105 31 F CA 1.241 59.359 58.000 0.195 0.000 1.239 31 F CB -0.155 38.931 39.000 0.143 0.000 0.991 31 F HN -0.036 nan 8.300 nan 0.000 0.474 32 N N 0.394 119.307 118.700 0.355 0.000 2.244 32 N HA -0.157 4.578 4.740 -0.009 0.000 0.183 32 N C 2.097 177.673 175.510 0.110 0.000 1.016 32 N CA 0.638 53.817 53.050 0.216 0.000 0.866 32 N CB -0.477 38.125 38.487 0.191 0.000 0.980 32 N HN 0.274 nan 8.380 nan 0.000 0.430 33 R N 0.932 121.502 120.500 0.117 0.000 2.070 33 R HA -0.096 4.239 4.340 -0.009 0.000 0.233 33 R C 1.643 178.013 176.300 0.118 0.000 1.137 33 R CA 1.503 57.695 56.100 0.153 0.000 0.945 33 R CB -0.605 29.721 30.300 0.043 0.000 0.845 33 R HN 0.432 nan 8.270 nan 0.000 0.430 34 H N -0.173 118.933 119.070 0.060 0.000 2.357 34 H HA -0.128 4.423 4.556 -0.009 0.000 0.301 34 H C 1.850 177.101 175.328 -0.129 0.000 1.082 34 H CA 1.461 57.477 56.048 -0.053 0.000 1.342 34 H CB -0.017 29.673 29.762 -0.120 0.000 1.389 34 H HN 0.073 nan 8.280 nan 0.000 0.511 35 L N 0.054 121.241 121.223 -0.060 0.000 2.079 35 L HA -0.199 4.136 4.340 -0.009 0.000 0.210 35 L C 2.130 178.964 176.870 -0.060 0.000 1.081 35 L CA 1.858 56.631 54.840 -0.113 0.000 0.752 35 L CB -0.458 41.537 42.059 -0.107 0.000 0.896 35 L HN 0.310 nan 8.230 nan 0.000 0.433 36 H N -1.667 117.310 119.070 -0.155 0.000 2.273 36 H HA -0.040 4.511 4.556 -0.009 0.000 0.311 36 H C 1.830 176.964 175.328 -0.324 0.000 1.057 36 H CA 2.175 58.045 56.048 -0.296 0.000 1.360 36 H CB -0.390 29.088 29.762 -0.473 0.000 1.414 36 H HN 0.251 nan 8.280 nan 0.000 0.516 37 F N -0.094 119.827 119.950 -0.050 0.000 2.206 37 F HA -0.075 4.446 4.527 -0.009 0.000 0.298 37 F C 2.615 178.330 175.800 -0.141 0.000 1.090 37 F CA 1.546 59.471 58.000 -0.126 0.000 1.323 37 F CB -0.519 38.449 39.000 -0.053 0.000 1.028 37 F HN 0.214 nan 8.300 nan 0.000 0.492 38 T N -0.471 114.109 114.554 0.044 0.000 2.901 38 T HA 0.026 4.370 4.350 -0.009 0.000 0.252 38 T C 1.681 176.280 174.700 -0.168 0.000 1.035 38 T CA 0.698 62.752 62.100 -0.075 0.000 1.142 38 T CB -0.131 68.668 68.868 -0.115 0.000 0.869 38 T HN -0.055 nan 8.240 nan 0.000 0.442 39 L N 0.933 122.054 121.223 -0.170 0.000 2.529 39 L HA 0.300 4.635 4.340 -0.009 0.000 0.223 39 L C 0.681 177.446 176.870 -0.175 0.000 1.113 39 L CA 0.257 54.985 54.840 -0.187 0.000 0.861 39 L CB -0.687 41.266 42.059 -0.177 0.000 1.012 39 L HN 0.037 nan 8.230 nan 0.000 0.461 40 V N 0.373 120.169 119.914 -0.197 0.000 5.949 40 V HA -0.289 3.826 4.120 -0.009 0.000 0.287 40 V C 0.367 176.350 176.094 -0.186 0.000 0.603 40 V CA 0.825 62.985 62.300 -0.232 0.000 0.608 40 V CB -2.077 29.636 31.823 -0.184 0.000 0.259 40 V HN 0.428 nan 8.190 nan 0.000 0.742 41 K N 0.757 121.057 120.400 -0.168 0.000 2.509 41 K HA 0.712 5.027 4.320 -0.009 0.000 0.266 41 K C -0.555 176.010 176.600 -0.058 0.000 0.987 41 K CA -0.487 55.731 56.287 -0.114 0.000 0.868 41 K CB 2.839 35.261 32.500 -0.130 0.000 1.421 41 K HN 0.486 nan 8.250 nan 0.000 0.444 42 D N -0.859 119.526 120.400 -0.024 0.000 2.497 42 D HA 0.327 4.961 4.640 -0.009 0.000 0.243 42 D C 0.629 176.957 176.300 0.046 0.000 1.039 42 D CA -0.709 53.309 54.000 0.031 0.000 1.052 42 D CB 0.856 41.674 40.800 0.031 0.000 1.344 42 D HN 0.091 nan 8.370 nan 0.000 0.553 43 R N -0.003 120.555 120.500 0.097 0.000 2.341 43 R HA 0.029 4.363 4.340 -0.009 0.000 0.213 43 R C 0.578 176.948 176.300 0.116 0.000 1.082 43 R CA 0.375 56.570 56.100 0.159 0.000 1.017 43 R CB -0.736 29.664 30.300 0.165 0.000 0.860 43 R HN 0.499 nan 8.270 nan 0.000 0.473 44 N N 0.088 118.825 118.700 0.061 0.000 2.415 44 N HA -0.049 4.685 4.740 -0.009 0.000 0.176 44 N C 1.392 176.917 175.510 0.025 0.000 1.042 44 N CA 0.969 54.045 53.050 0.044 0.000 0.902 44 N CB 0.638 39.142 38.487 0.028 0.000 0.986 44 N HN 0.160 nan 8.380 nan 0.000 0.447 45 V N -2.975 116.940 119.914 0.002 0.000 3.432 45 V HA 0.525 4.640 4.120 -0.009 0.000 0.298 45 V C 0.729 176.784 176.094 -0.064 0.000 1.464 45 V CA -0.622 61.665 62.300 -0.022 0.000 1.046 45 V CB -0.176 31.629 31.823 -0.029 0.000 0.887 45 V HN 0.010 nan 8.190 nan 0.000 0.441 46 A N 2.097 124.854 122.820 -0.105 0.000 2.440 46 A HA 0.614 4.929 4.320 -0.009 0.000 0.251 46 A C 0.710 178.120 177.584 -0.291 0.000 1.089 46 A CA 0.788 52.648 52.037 -0.293 0.000 0.779 46 A CB 0.021 18.696 19.000 -0.543 0.000 1.022 46 A HN 0.805 nan 8.150 nan 0.000 0.492 47 T N -0.096 114.289 114.554 -0.282 0.000 2.948 47 T HA 0.585 4.930 4.350 -0.009 0.000 0.285 47 T C -2.192 172.455 174.700 -0.087 0.000 1.019 47 T CA -1.797 60.237 62.100 -0.110 0.000 1.013 47 T CB 1.318 70.165 68.868 -0.035 0.000 1.117 47 T HN 0.230 nan 8.240 nan 0.000 0.533 48 P HA -0.087 nan 4.420 nan 0.000 0.217 48 P C 1.596 179.034 177.300 0.230 0.000 1.148 48 P CA 0.941 64.204 63.100 0.271 0.000 0.828 48 P CB 0.061 31.873 31.700 0.187 0.000 0.783 49 R N -0.077 120.503 120.500 0.134 0.000 2.092 49 R HA -0.134 4.201 4.340 -0.009 0.000 0.231 49 R C 1.627 178.129 176.300 0.336 0.000 1.119 49 R CA 1.715 57.942 56.100 0.212 0.000 0.970 49 R CB -0.658 29.692 30.300 0.083 0.000 0.864 49 R HN 0.081 nan 8.270 nan 0.000 0.440 50 D N -0.314 120.146 120.400 0.099 0.000 2.117 50 D HA -0.180 4.455 4.640 -0.009 0.000 0.197 50 D C 1.672 177.996 176.300 0.041 0.000 0.987 50 D CA 1.275 55.276 54.000 0.002 0.000 0.829 50 D CB -0.280 40.369 40.800 -0.252 0.000 0.961 50 D HN 0.303 nan 8.370 nan 0.000 0.460 51 Y N -0.027 120.386 120.300 0.188 0.000 2.242 51 Y HA -0.193 4.352 4.550 -0.009 0.000 0.291 51 Y C 2.289 178.335 175.900 0.243 0.000 1.137 51 Y CA 0.317 58.565 58.100 0.248 0.000 1.181 51 Y CB -1.028 37.633 38.460 0.335 0.000 0.989 51 Y HN 0.084 nan 8.280 nan 0.000 0.527 52 Y N -0.494 119.971 120.300 0.274 0.000 2.145 52 Y HA -0.268 4.276 4.550 -0.009 0.000 0.286 52 Y C 1.913 177.814 175.900 0.001 0.000 1.145 52 Y CA 1.251 59.413 58.100 0.104 0.000 1.148 52 Y CB -1.132 37.298 38.460 -0.050 0.000 0.981 52 Y HN 0.039 nan 8.280 nan 0.000 0.507 53 F N 0.287 120.021 119.950 -0.360 0.000 2.171 53 F HA -0.108 4.414 4.527 -0.008 0.000 0.300 53 F C 2.642 178.302 175.800 -0.233 0.000 1.090 53 F CA 1.330 59.080 58.000 -0.416 0.000 1.293 53 F CB -0.908 38.011 39.000 -0.135 0.000 1.013 53 F HN 0.199 nan 8.300 nan 0.000 0.486 54 A N -0.177 122.602 122.820 -0.068 0.000 1.902 54 A HA -0.177 4.137 4.320 -0.009 0.000 0.217 54 A C 2.079 179.559 177.584 -0.172 0.000 1.181 54 A CA 1.587 53.454 52.037 -0.284 0.000 0.623 54 A CB -1.011 17.509 19.000 -0.800 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.443 55 L N -0.337 120.916 121.223 0.050 0.000 2.056 55 L HA 0.016 4.351 4.340 -0.009 0.000 0.207 55 L C 2.666 179.552 176.870 0.025 0.000 1.078 55 L CA 2.045 57.032 54.840 0.247 0.000 0.749 55 L CB -0.877 41.385 42.059 0.339 0.000 0.901 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.134 121.534 122.820 -0.254 0.000 1.883 56 A HA -0.285 4.029 4.320 -0.009 0.000 0.217 56 A C 2.138 179.431 177.584 -0.485 0.000 1.186 56 A CA 2.056 53.842 52.037 -0.418 0.000 0.624 56 A CB -1.082 17.337 19.000 -0.968 0.000 0.822 56 A HN 0.657 nan 8.150 nan 0.000 0.444 57 H N -0.730 118.041 119.070 -0.498 0.000 2.423 57 H HA -0.044 4.507 4.556 -0.009 0.000 0.297 57 H C 2.322 177.385 175.328 -0.441 0.000 1.075 57 H CA 1.909 57.580 56.048 -0.628 0.000 1.342 57 H CB -0.258 28.843 29.762 -1.102 0.000 1.395 57 H HN 0.464 nan 8.280 nan 0.000 0.530 58 T N -0.342 114.164 114.554 -0.080 0.000 2.708 58 T HA -0.126 4.219 4.350 -0.009 0.000 0.266 58 T C 2.262 177.126 174.700 0.273 0.000 1.037 58 T CA 1.371 63.601 62.100 0.217 0.000 1.146 58 T CB -0.390 68.677 68.868 0.332 0.000 0.865 58 T HN 0.101 nan 8.240 nan 0.000 0.435 59 V N 1.363 121.416 119.914 0.233 0.000 2.358 59 V HA -0.110 4.005 4.120 -0.009 0.000 0.246 59 V C 2.597 178.868 176.094 0.295 0.000 1.047 59 V CA 1.525 64.005 62.300 0.301 0.000 1.035 59 V CB -0.617 31.369 31.823 0.271 0.000 0.658 59 V HN 0.346 nan 8.190 nan 0.000 0.452 60 R N 0.195 120.807 120.500 0.187 0.000 2.091 60 R HA -0.220 4.115 4.340 -0.009 0.000 0.238 60 R C 2.033 178.414 176.300 0.135 0.000 1.136 60 R CA 2.085 58.281 56.100 0.161 0.000 0.959 60 R CB -0.398 29.823 30.300 -0.131 0.000 0.856 60 R HN 0.487 nan 8.270 nan 0.000 0.437 61 D N -0.259 120.200 120.400 0.099 0.000 2.158 61 D HA -0.190 4.445 4.640 -0.009 0.000 0.197 61 D C 1.711 178.001 176.300 -0.015 0.000 0.995 61 D CA 1.210 55.237 54.000 0.045 0.000 0.846 61 D CB -0.407 40.403 40.800 0.016 0.000 0.941 61 D HN 0.459 nan 8.370 nan 0.000 0.456 62 H N -0.308 118.822 119.070 0.101 0.000 2.521 62 H HA 0.031 4.582 4.556 -0.008 0.000 0.286 62 H C 2.238 177.604 175.328 0.063 0.000 1.034 62 H CA 0.388 56.480 56.048 0.073 0.000 1.278 62 H CB 0.266 30.064 29.762 0.059 0.000 1.386 62 H HN 0.215 nan 8.280 nan 0.000 0.567 63 L N 0.391 121.716 121.223 0.171 0.000 2.127 63 L HA -0.106 4.229 4.340 -0.009 0.000 0.203 63 L C 2.767 179.738 176.870 0.169 0.000 1.080 63 L CA 0.504 55.412 54.840 0.113 0.000 0.768 63 L CB -0.195 41.900 42.059 0.059 0.000 0.924 63 L HN 0.099 nan 8.230 nan 0.000 0.444 64 V N -1.961 118.081 119.914 0.213 0.000 2.282 64 V HA -0.212 3.903 4.120 -0.009 0.000 0.249 64 V C 2.334 178.546 176.094 0.197 0.000 1.057 64 V CA 2.150 64.617 62.300 0.278 0.000 1.032 64 V CB -1.951 29.991 31.823 0.198 0.000 0.645 64 V HN 0.414 nan 8.190 nan 0.000 0.447 65 G N 0.350 109.219 108.800 0.116 0.000 2.446 65 G HA2 -0.258 3.697 3.960 -0.009 0.000 0.217 65 G HA3 -0.258 3.697 3.960 -0.009 0.000 0.217 65 G C 1.764 176.714 174.900 0.083 0.000 1.168 65 G CA 1.090 46.235 45.100 0.075 0.000 0.771 65 G HN 0.564 nan 8.290 nan 0.000 0.551 66 R N -1.479 119.078 120.500 0.094 0.000 2.115 66 R HA -0.068 4.267 4.340 -0.009 0.000 0.230 66 R C 2.271 178.650 176.300 0.131 0.000 1.111 66 R CA 1.064 57.205 56.100 0.069 0.000 0.976 66 R CB -0.334 29.988 30.300 0.037 0.000 0.870 66 R HN 0.486 nan 8.270 nan 0.000 0.445 67 W N 1.717 122.996 121.300 -0.034 0.000 2.379 67 W HA -0.050 4.605 4.660 -0.008 0.000 0.307 67 W C 1.722 178.213 176.519 -0.047 0.000 1.200 67 W CA 0.803 58.124 57.345 -0.039 0.000 1.297 67 W CB -0.570 28.886 29.460 -0.006 0.000 1.140 67 W HN -0.060 nan 8.180 nan 0.000 0.507 68 I N 1.085 121.722 120.570 0.113 0.000 2.179 68 I HA -0.350 3.815 4.170 -0.009 0.000 0.242 68 I C 2.611 178.715 176.117 -0.022 0.000 1.088 68 I CA 1.976 63.256 61.300 -0.034 0.000 1.357 68 I CB -0.578 37.406 38.000 -0.027 0.000 1.051 68 I HN -0.011 nan 8.210 nan 0.000 0.409 69 R N 0.109 120.611 120.500 0.002 0.000 2.148 69 R HA -0.030 4.305 4.340 -0.009 0.000 0.223 69 R C 1.976 178.242 176.300 -0.057 0.000 1.088 69 R CA 1.409 57.501 56.100 -0.014 0.000 0.985 69 R CB -1.155 29.136 30.300 -0.014 0.000 0.880 69 R HN 0.201 nan 8.270 nan 0.000 0.451 70 T N 1.643 116.139 114.554 -0.095 0.000 2.708 70 T HA -0.103 4.242 4.350 -0.009 0.000 0.266 70 T C 1.828 176.269 174.700 -0.433 0.000 1.037 70 T CA 1.306 63.237 62.100 -0.281 0.000 1.146 70 T CB -0.097 68.647 68.868 -0.207 0.000 0.865 70 T HN 0.216 nan 8.240 nan 0.000 0.435 71 Q N 0.810 120.499 119.800 -0.185 0.000 2.119 71 Q HA -0.072 4.263 4.340 -0.009 0.000 0.201 71 Q C 2.354 178.365 176.000 0.018 0.000 0.972 71 Q CA 1.268 57.030 55.803 -0.068 0.000 0.847 71 Q CB -0.561 28.158 28.738 -0.031 0.000 0.903 71 Q HN 0.455 nan 8.270 nan 0.000 0.433 72 Q N 0.090 119.895 119.800 0.009 0.000 2.124 72 Q HA -0.176 4.159 4.340 -0.009 0.000 0.202 72 Q C 1.858 177.942 176.000 0.140 0.000 0.977 72 Q CA 1.815 57.669 55.803 0.084 0.000 0.850 72 Q CB -0.364 28.406 28.738 0.053 0.000 0.901 72 Q HN 0.551 nan 8.270 nan 0.000 0.429 73 H N -1.030 118.012 119.070 -0.046 0.000 2.319 73 H HA -0.170 4.381 4.556 -0.009 0.000 0.299 73 H C 1.108 176.492 175.328 0.094 0.000 1.092 73 H CA 2.258 58.284 56.048 -0.037 0.000 1.302 73 H CB -0.255 29.409 29.762 -0.163 0.000 1.373 73 H HN 0.341 nan 8.280 nan 0.000 0.497 74 Y N -1.128 119.234 120.300 0.102 0.000 2.293 74 Y HA -0.176 4.368 4.550 -0.009 0.000 0.291 74 Y C 2.373 178.307 175.900 0.057 0.000 1.137 74 Y CA 0.971 59.100 58.100 0.048 0.000 1.202 74 Y CB -1.241 37.298 38.460 0.132 0.000 0.990 74 Y HN 0.361 nan 8.280 nan 0.000 0.537 75 Y N 1.312 121.692 120.300 0.133 0.000 2.163 75 Y HA -0.169 4.376 4.550 -0.009 0.000 0.288 75 Y C 2.103 178.007 175.900 0.007 0.000 1.136 75 Y CA 1.634 59.771 58.100 0.062 0.000 1.147 75 Y CB -0.156 38.328 38.460 0.040 0.000 0.987 75 Y HN 0.039 nan 8.280 nan 0.000 0.509 76 E N 0.555 120.709 120.200 -0.076 0.000 2.015 76 E HA -0.188 4.157 4.350 -0.009 0.000 0.191 76 E C 2.051 178.530 176.600 -0.201 0.000 0.991 76 E CA 1.554 57.844 56.400 -0.182 0.000 0.802 76 E CB -0.351 29.303 29.700 -0.077 0.000 0.759 76 E HN 0.504 nan 8.360 nan 0.000 0.447 77 K N 0.620 120.898 120.400 -0.203 0.000 2.296 77 K HA -0.086 4.229 4.320 -0.009 0.000 0.200 77 K C 0.063 176.598 176.600 -0.109 0.000 1.048 77 K CA 0.542 56.725 56.287 -0.173 0.000 0.966 77 K CB -0.038 32.312 32.500 -0.251 0.000 0.754 77 K HN 0.027 nan 8.250 nan 0.000 0.466 78 D N 0.966 121.315 120.400 -0.086 0.000 2.735 78 D HA -0.107 4.528 4.640 -0.009 0.000 0.235 78 D C -2.332 173.944 176.300 -0.040 0.000 1.175 78 D CA 0.034 54.000 54.000 -0.057 0.000 0.683 78 D CB -0.035 40.700 40.800 -0.109 0.000 1.008 78 D HN 0.180 nan 8.370 nan 0.000 0.416 79 P HA 0.119 nan 4.420 nan 0.000 0.277 79 P C -0.225 177.036 177.300 -0.065 0.000 1.271 79 P CA -0.675 62.394 63.100 -0.051 0.000 0.795 79 P CB 0.663 32.325 31.700 -0.064 0.000 1.101 80 K N 1.046 121.409 120.400 -0.061 0.000 2.412 80 K HA 0.066 4.380 4.320 -0.009 0.000 0.281 80 K C -0.056 176.459 176.600 -0.142 0.000 1.027 80 K CA -0.079 56.165 56.287 -0.071 0.000 0.989 80 K CB 0.227 32.701 32.500 -0.042 0.000 0.935 80 K HN 0.236 nan 8.250 nan 0.000 0.475 81 R N 3.618 124.018 120.500 -0.167 0.000 2.349 81 R HA 0.331 4.666 4.340 -0.009 0.000 0.299 81 R C -0.517 175.496 176.300 -0.479 0.000 1.027 81 R CA -0.415 55.497 56.100 -0.313 0.000 0.958 81 R CB 0.772 30.881 30.300 -0.319 0.000 1.047 81 R HN 0.504 nan 8.270 nan 0.000 0.468 82 I N 4.712 124.947 120.570 -0.558 0.000 2.339 82 I HA 0.213 4.378 4.170 -0.009 0.000 0.290 82 I C -0.689 175.108 176.117 -0.534 0.000 0.994 82 I CA -0.755 60.171 61.300 -0.622 0.000 1.191 82 I CB 0.864 38.391 38.000 -0.789 0.000 1.343 82 I HN 0.524 nan 8.210 nan 0.000 0.458 83 Y N 5.992 126.259 120.300 -0.054 0.000 2.356 83 Y HA 0.289 4.834 4.550 -0.008 0.000 0.334 83 Y C -0.295 175.714 175.900 0.182 0.000 0.958 83 Y CA -0.752 57.449 58.100 0.168 0.000 1.196 83 Y CB 1.166 39.707 38.460 0.135 0.000 1.137 83 Y HN 0.389 nan 8.280 nan 0.000 0.485 84 Y N 4.593 125.078 120.300 0.309 0.000 2.504 84 Y HA 0.477 5.022 4.550 -0.008 0.000 0.339 84 Y C -1.237 174.929 175.900 0.443 0.000 0.974 84 Y CA -1.024 57.262 58.100 0.309 0.000 1.232 84 Y CB 0.285 38.925 38.460 0.300 0.000 1.108 84 Y HN 0.505 nan 8.280 nan 0.000 0.509 85 L N 4.926 126.210 121.223 0.100 0.000 2.265 85 L HA 0.471 4.806 4.340 -0.009 0.000 0.288 85 L C -0.110 176.785 176.870 0.041 0.000 1.058 85 L CA 0.166 55.117 54.840 0.184 0.000 0.809 85 L CB 1.210 43.342 42.059 0.122 0.000 1.179 85 L HN 0.573 nan 8.230 nan 0.000 0.429 86 S N 2.432 118.245 115.700 0.187 0.000 2.541 86 S HA 0.516 4.981 4.470 -0.009 0.000 0.271 86 S C 0.163 174.868 174.600 0.175 0.000 1.133 86 S CA -0.515 57.696 58.200 0.019 0.000 0.876 86 S CB 1.027 64.005 63.200 -0.368 0.000 1.105 86 S HN 0.451 nan 8.310 nan 0.000 0.470 87 L N 2.709 124.064 121.223 0.220 0.000 2.591 87 L HA 0.463 4.798 4.340 -0.009 0.000 0.228 87 L C 0.228 177.307 176.870 0.348 0.000 1.133 87 L CA 0.919 55.956 54.840 0.329 0.000 0.880 87 L CB -0.112 42.159 42.059 0.353 0.000 1.033 87 L HN 0.647 nan 8.230 nan 0.000 0.450 88 E N -1.217 119.061 120.200 0.129 0.000 2.308 88 E HA 0.416 4.760 4.350 -0.009 0.000 0.275 88 E C -1.406 175.078 176.600 -0.194 0.000 0.890 88 E CA -0.445 56.014 56.400 0.099 0.000 0.754 88 E CB 1.930 31.673 29.700 0.071 0.000 1.207 88 E HN -0.173 nan 8.360 nan 0.000 0.426 89 F N 2.105 122.158 119.950 0.171 0.000 2.828 89 F HA 0.180 4.701 4.527 -0.009 0.000 0.355 89 F C -0.955 174.923 175.800 0.130 0.000 1.200 89 F CA -0.768 57.322 58.000 0.150 0.000 1.062 89 F CB 1.041 40.122 39.000 0.135 0.000 1.351 89 F HN 0.477 nan 8.300 nan 0.000 0.504 90 Y N 5.363 125.739 120.300 0.128 0.000 2.691 90 Y HA 0.243 4.788 4.550 -0.008 0.000 0.338 90 Y C 0.919 176.846 175.900 0.044 0.000 1.148 90 Y CA -1.118 57.009 58.100 0.045 0.000 1.430 90 Y CB 0.415 38.882 38.460 0.011 0.000 1.303 90 Y HN 0.549 nan 8.280 nan 0.000 0.499 91 M N 1.762 121.530 119.600 0.280 0.000 2.288 91 M HA 0.116 4.591 4.480 -0.009 0.000 0.266 91 M C 1.533 177.843 176.300 0.016 0.000 1.072 91 M CA 1.126 56.491 55.300 0.109 0.000 1.132 91 M CB -1.251 31.380 32.600 0.051 0.000 1.386 91 M HN 0.713 nan 8.290 nan 0.000 0.432 92 G N 1.116 109.955 108.800 0.066 0.000 2.562 92 G HA2 -0.264 3.691 3.960 -0.009 0.000 0.250 92 G HA3 -0.264 3.691 3.960 -0.009 0.000 0.250 92 G C -0.309 174.566 174.900 -0.041 0.000 1.269 92 G CA -0.370 44.714 45.100 -0.026 0.000 0.919 92 G HN 0.436 nan 8.290 nan 0.000 0.574 93 R N -0.674 119.773 120.500 -0.087 0.000 2.582 93 R HA 0.549 4.884 4.340 -0.009 0.000 0.271 93 R C 1.113 177.295 176.300 -0.197 0.000 1.078 93 R CA 0.377 56.427 56.100 -0.084 0.000 1.127 93 R CB 0.659 30.915 30.300 -0.075 0.000 1.038 93 R HN 0.534 nan 8.270 nan 0.000 0.500 94 T N 1.312 115.687 114.554 -0.300 0.000 2.978 94 T HA -0.013 4.332 4.350 -0.009 0.000 0.248 94 T C 1.462 175.756 174.700 -0.676 0.000 1.018 94 T CA -0.167 61.542 62.100 -0.652 0.000 1.026 94 T CB 0.115 68.207 68.868 -1.292 0.000 1.032 94 T HN 0.314 nan 8.240 nan 0.000 0.485 95 L N 2.059 123.098 121.223 -0.307 0.000 1.956 95 L HA -0.104 4.231 4.340 -0.009 0.000 0.216 95 L C 2.467 179.289 176.870 -0.080 0.000 1.073 95 L CA 2.051 56.874 54.840 -0.029 0.000 0.762 95 L CB -0.766 41.491 42.059 0.330 0.000 0.889 95 L HN 0.196 nan 8.230 nan 0.000 0.433 96 Q N -0.821 118.939 119.800 -0.067 0.000 2.084 96 Q HA -0.258 4.077 4.340 -0.009 0.000 0.202 96 Q C 2.236 178.162 176.000 -0.125 0.000 0.978 96 Q CA 1.891 57.650 55.803 -0.074 0.000 0.844 96 Q CB -0.337 28.358 28.738 -0.073 0.000 0.898 96 Q HN 0.711 nan 8.270 nan 0.000 0.426 97 N N -0.986 117.601 118.700 -0.189 0.000 2.149 97 N HA -0.147 4.588 4.740 -0.009 0.000 0.188 97 N C 1.319 176.719 175.510 -0.183 0.000 1.019 97 N CA 1.751 54.681 53.050 -0.199 0.000 0.857 97 N CB 0.069 38.405 38.487 -0.251 0.000 0.997 97 N HN 0.222 nan 8.380 nan 0.000 0.426 98 T N 1.168 115.579 114.554 -0.239 0.000 2.777 98 T HA -0.033 4.312 4.350 -0.009 0.000 0.266 98 T C 2.057 176.691 174.700 -0.110 0.000 1.040 98 T CA 1.003 62.979 62.100 -0.207 0.000 1.141 98 T CB -0.038 68.659 68.868 -0.285 0.000 0.868 98 T HN 0.266 nan 8.240 nan 0.000 0.444 99 M N 0.568 120.120 119.600 -0.080 0.000 2.117 99 M HA -0.075 4.400 4.480 -0.009 0.000 0.262 99 M C 2.478 178.742 176.300 -0.059 0.000 1.065 99 M CA 1.199 56.467 55.300 -0.054 0.000 1.114 99 M CB -0.644 31.941 32.600 -0.027 0.000 1.361 99 M HN 0.091 nan 8.290 nan 0.000 0.408 100 V N 1.069 120.954 119.914 -0.048 0.000 2.287 100 V HA -0.283 3.831 4.120 -0.009 0.000 0.248 100 V C 1.799 177.901 176.094 0.013 0.000 1.053 100 V CA 2.032 64.331 62.300 -0.003 0.000 1.027 100 V CB -0.897 30.928 31.823 0.004 0.000 0.646 100 V HN 0.473 nan 8.190 nan 0.000 0.447 101 N N -0.410 118.285 118.700 -0.009 0.000 2.381 101 N HA -0.050 4.684 4.740 -0.009 0.000 0.182 101 N C 1.101 176.510 175.510 -0.169 0.000 1.025 101 N CA 0.751 53.775 53.050 -0.044 0.000 0.888 101 N CB -0.134 38.339 38.487 -0.025 0.000 0.965 101 N HN 0.295 nan 8.380 nan 0.000 0.438 102 L N -0.255 120.888 121.223 -0.133 0.000 2.640 102 L HA 0.403 4.737 4.340 -0.009 0.000 0.230 102 L C 0.496 177.276 176.870 -0.149 0.000 1.123 102 L CA -0.175 54.584 54.840 -0.135 0.000 0.900 102 L CB -0.624 41.379 42.059 -0.092 0.000 1.146 102 L HN 0.100 nan 8.230 nan 0.000 0.484 103 A N -0.531 122.198 122.820 -0.151 0.000 2.846 103 A HA -0.213 4.102 4.320 -0.009 0.000 0.287 103 A C 0.961 178.482 177.584 -0.105 0.000 1.469 103 A CA 0.906 52.866 52.037 -0.128 0.000 0.757 103 A CB -1.935 16.973 19.000 -0.152 0.000 1.033 103 A HN 0.213 nan 8.150 nan 0.000 0.516 104 L N -0.899 120.264 121.223 -0.100 0.000 2.766 104 L HA 0.266 4.601 4.340 -0.009 0.000 0.242 104 L C 1.782 178.615 176.870 -0.061 0.000 1.136 104 L CA 1.407 56.185 54.840 -0.104 0.000 0.933 104 L CB -0.177 41.794 42.059 -0.146 0.000 1.241 104 L HN 0.620 nan 8.230 nan 0.000 0.522 105 E N -0.032 120.142 120.200 -0.044 0.000 2.038 105 E HA -0.244 4.101 4.350 -0.009 0.000 0.195 105 E C 1.567 178.154 176.600 -0.021 0.000 1.000 105 E CA 1.586 57.971 56.400 -0.025 0.000 0.803 105 E CB 0.249 29.937 29.700 -0.020 0.000 0.750 105 E HN 0.413 nan 8.360 nan 0.000 0.448 106 N N 0.039 118.723 118.700 -0.026 0.000 2.142 106 N HA -0.132 4.603 4.740 -0.009 0.000 0.186 106 N C 1.598 177.094 175.510 -0.023 0.000 1.023 106 N CA 1.218 54.252 53.050 -0.026 0.000 0.852 106 N CB -0.422 38.048 38.487 -0.028 0.000 0.998 106 N HN 0.223 nan 8.380 nan 0.000 0.424 107 A N 0.563 123.366 122.820 -0.027 0.000 1.883 107 A HA -0.165 4.150 4.320 -0.009 0.000 0.217 107 A C 2.659 180.237 177.584 -0.010 0.000 1.186 107 A CA 1.462 53.486 52.037 -0.022 0.000 0.624 107 A CB -1.050 17.927 19.000 -0.038 0.000 0.822 107 A HN 0.448 nan 8.150 nan 0.000 0.444 108 C N -0.861 118.433 119.300 -0.009 0.000 2.435 108 C HA -0.051 4.403 4.460 -0.009 0.000 0.279 108 C C 2.450 177.443 174.990 0.005 0.000 1.321 108 C CA 1.029 60.052 59.018 0.009 0.000 1.752 108 C CB -1.102 26.656 27.740 0.029 0.000 1.959 108 C HN 0.692 nan 8.230 nan 0.000 0.500 109 D N 0.795 121.197 120.400 0.003 0.000 2.097 109 D HA -0.136 4.499 4.640 -0.009 0.000 0.195 109 D C 2.131 178.446 176.300 0.026 0.000 0.989 109 D CA 1.498 55.503 54.000 0.007 0.000 0.827 109 D CB -0.227 40.565 40.800 -0.012 0.000 0.966 109 D HN 0.472 nan 8.370 nan 0.000 0.456 110 E N 0.374 120.584 120.200 0.017 0.000 2.028 110 E HA -0.064 4.280 4.350 -0.009 0.000 0.191 110 E C 1.919 178.564 176.600 0.074 0.000 0.988 110 E CA 1.705 58.137 56.400 0.054 0.000 0.799 110 E CB -0.631 29.083 29.700 0.023 0.000 0.755 110 E HN 0.195 nan 8.360 nan 0.000 0.447 111 A N -0.054 122.774 122.820 0.013 0.000 1.892 111 A HA -0.253 4.062 4.320 -0.009 0.000 0.218 111 A C 2.523 180.034 177.584 -0.122 0.000 1.188 111 A CA 3.156 55.172 52.037 -0.036 0.000 0.631 111 A CB -1.605 17.377 19.000 -0.030 0.000 0.822 111 A HN 0.542 nan 8.150 nan 0.000 0.447 112 T N -3.818 110.656 114.554 -0.134 0.000 2.867 112 T HA -0.201 4.144 4.350 -0.009 0.000 0.268 112 T C 1.818 176.433 174.700 -0.142 0.000 1.057 112 T CA 1.511 63.467 62.100 -0.239 0.000 1.136 112 T CB -0.549 68.220 68.868 -0.165 0.000 0.874 112 T HN 0.476 nan 8.240 nan 0.000 0.466 113 Y N 2.204 122.423 120.300 -0.135 0.000 2.145 113 Y HA -0.091 4.454 4.550 -0.008 0.000 0.286 113 Y C 2.625 178.462 175.900 -0.104 0.000 1.145 113 Y CA 1.560 59.600 58.100 -0.100 0.000 1.148 113 Y CB -0.620 37.800 38.460 -0.066 0.000 0.981 113 Y HN 0.235 nan 8.280 nan 0.000 0.507 114 Q N -0.885 118.811 119.800 -0.173 0.000 2.226 114 Q HA -0.136 4.199 4.340 -0.009 0.000 0.204 114 Q C 1.513 177.366 176.000 -0.246 0.000 0.975 114 Q CA 0.989 56.654 55.803 -0.231 0.000 0.866 114 Q CB -0.105 28.589 28.738 -0.073 0.000 0.915 114 Q HN 0.351 nan 8.270 nan 0.000 0.440 115 L N -0.913 120.155 121.223 -0.258 0.000 2.591 115 L HA 0.141 4.476 4.340 -0.009 0.000 0.228 115 L C 1.103 177.807 176.870 -0.277 0.000 1.133 115 L CA 1.177 55.856 54.840 -0.267 0.000 0.880 115 L CB -0.320 41.496 42.059 -0.405 0.000 1.033 115 L HN 0.306 nan 8.230 nan 0.000 0.450 116 G N -0.240 108.375 108.800 -0.309 0.000 2.160 116 G HA2 -0.253 3.702 3.960 -0.009 0.000 0.244 116 G HA3 -0.253 3.702 3.960 -0.009 0.000 0.244 116 G C 0.103 174.864 174.900 -0.231 0.000 1.022 116 G CA 0.342 45.276 45.100 -0.277 0.000 0.741 116 G HN 0.291 nan 8.290 nan 0.000 0.508 117 L N -0.316 120.767 121.223 -0.233 0.000 2.341 117 L HA 0.608 4.942 4.340 -0.009 0.000 0.267 117 L C -0.576 176.257 176.870 -0.062 0.000 1.009 117 L CA -1.174 53.556 54.840 -0.182 0.000 0.819 117 L CB 1.885 43.770 42.059 -0.291 0.000 1.323 117 L HN 0.081 nan 8.230 nan 0.000 0.425 118 D N 2.070 122.463 120.400 -0.011 0.000 2.396 118 D HA 0.173 4.808 4.640 -0.009 0.000 0.225 118 D C 0.671 176.999 176.300 0.046 0.000 1.121 118 D CA -0.271 53.751 54.000 0.038 0.000 0.853 118 D CB 1.460 42.287 40.800 0.045 0.000 1.043 118 D HN 0.509 nan 8.370 nan 0.000 0.500 119 M N 3.123 122.751 119.600 0.047 0.000 2.149 119 M HA -0.176 4.299 4.480 -0.009 0.000 0.261 119 M C 1.357 177.700 176.300 0.073 0.000 1.064 119 M CA 1.622 56.960 55.300 0.064 0.000 1.102 119 M CB 0.178 32.809 32.600 0.051 0.000 1.369 119 M HN 0.419 nan 8.290 nan 0.000 0.408 120 E N -0.226 120.008 120.200 0.056 0.000 2.110 120 E HA -0.268 4.077 4.350 -0.009 0.000 0.193 120 E C 1.869 178.505 176.600 0.060 0.000 0.988 120 E CA 1.529 57.961 56.400 0.053 0.000 0.804 120 E CB -0.166 29.562 29.700 0.046 0.000 0.745 120 E HN 0.647 nan 8.360 nan 0.000 0.458 121 E N 0.360 120.598 120.200 0.064 0.000 2.077 121 E HA -0.204 4.141 4.350 -0.009 0.000 0.193 121 E C 1.914 178.560 176.600 0.077 0.000 0.989 121 E CA 0.647 57.086 56.400 0.065 0.000 0.800 121 E CB 0.158 29.897 29.700 0.066 0.000 0.746 121 E HN 0.078 nan 8.360 nan 0.000 0.452 122 L N 1.398 122.689 121.223 0.112 0.000 2.093 122 L HA -0.127 4.208 4.340 -0.009 0.000 0.208 122 L C 2.044 178.985 176.870 0.119 0.000 1.085 122 L CA 1.621 56.563 54.840 0.171 0.000 0.755 122 L CB -0.562 41.650 42.059 0.255 0.000 0.904 122 L HN 0.144 nan 8.230 nan 0.000 0.435 123 E N -0.706 119.551 120.200 0.096 0.000 2.153 123 E HA -0.186 4.159 4.350 -0.009 0.000 0.194 123 E C 1.768 178.339 176.600 -0.048 0.000 0.988 123 E CA 0.706 57.133 56.400 0.046 0.000 0.811 123 E CB -0.024 29.706 29.700 0.050 0.000 0.746 123 E HN 0.426 nan 8.360 nan 0.000 0.466 124 E N 0.418 120.605 120.200 -0.021 0.000 2.409 124 E HA -0.099 4.245 4.350 -0.009 0.000 0.198 124 E C 1.883 178.429 176.600 -0.089 0.000 1.024 124 E CA 0.523 56.910 56.400 -0.023 0.000 0.861 124 E CB 0.066 29.784 29.700 0.030 0.000 0.788 124 E HN 0.426 nan 8.360 nan 0.000 0.521 125 I N 0.766 121.226 120.570 -0.183 0.000 2.617 125 I HA -0.100 4.065 4.170 -0.009 0.000 0.256 125 I C 1.400 177.224 176.117 -0.488 0.000 1.167 125 I CA 0.177 61.305 61.300 -0.286 0.000 1.469 125 I CB 0.029 37.869 38.000 -0.266 0.000 1.098 125 I HN -0.004 nan 8.210 nan 0.000 0.436 126 E N 2.724 122.501 120.200 -0.705 0.000 2.414 126 E HA -0.046 4.298 4.350 -0.009 0.000 0.263 126 E C -0.224 176.278 176.600 -0.162 0.000 1.000 126 E CA -0.147 55.888 56.400 -0.610 0.000 0.914 126 E CB 0.655 30.119 29.700 -0.392 0.000 0.948 126 E HN 0.086 nan 8.360 nan 0.000 0.444 127 E N 3.279 123.478 120.200 -0.001 0.000 2.331 127 E HA 0.079 4.424 4.350 -0.009 0.000 0.272 127 E C -0.818 175.883 176.600 0.169 0.000 1.036 127 E CA -0.301 56.182 56.400 0.139 0.000 0.864 127 E CB 0.876 30.742 29.700 0.278 0.000 1.035 127 E HN 0.494 nan 8.360 nan 0.000 0.408 128 D N 0.664 121.147 120.400 0.139 0.000 2.389 128 D HA 0.195 4.830 4.640 -0.009 0.000 0.247 128 D C -0.561 175.803 176.300 0.107 0.000 1.128 128 D CA 0.028 54.094 54.000 0.109 0.000 0.884 128 D CB 0.731 41.592 40.800 0.102 0.000 1.194 128 D HN 0.376 nan 8.370 nan 0.000 0.441 129 A N 2.466 125.314 122.820 0.047 0.000 2.527 129 A HA 0.503 4.817 4.320 -0.009 0.000 0.313 129 A C 0.860 178.308 177.584 -0.226 0.000 1.410 129 A CA -0.404 51.495 52.037 -0.231 0.000 1.060 129 A CB 0.016 18.945 19.000 -0.118 0.000 1.137 129 A HN 0.505 nan 8.150 nan 0.000 0.542 130 G N 2.313 110.876 108.800 -0.395 0.000 3.939 130 G HA2 0.435 4.390 3.960 -0.009 0.000 0.268 130 G HA3 0.435 4.390 3.960 -0.009 0.000 0.268 130 G C 0.242 174.787 174.900 -0.593 0.000 1.172 130 G CA -0.303 44.523 45.100 -0.458 0.000 1.614 130 G HN 0.690 nan 8.290 nan 0.000 0.639 131 L N 1.452 122.421 121.223 -0.423 0.000 2.939 131 L HA 0.386 4.721 4.340 -0.009 0.000 0.239 131 L C 1.009 177.810 176.870 -0.116 0.000 1.325 131 L CA -0.197 54.550 54.840 -0.154 0.000 1.170 131 L CB -0.338 41.765 42.059 0.073 0.000 1.538 131 L HN 0.340 nan 8.230 nan 0.000 0.452 132 G N -1.255 107.269 108.800 -0.459 0.000 2.677 132 G HA2 0.188 4.143 3.960 -0.009 0.000 0.291 132 G HA3 0.188 4.143 3.960 -0.009 0.000 0.291 132 G C -0.142 174.477 174.900 -0.468 0.000 1.435 132 G CA -0.466 44.431 45.100 -0.338 0.000 0.826 132 G HN -0.075 nan 8.290 nan 0.000 0.491 133 N N -0.749 117.864 118.700 -0.143 0.000 2.387 133 N HA 0.199 4.934 4.740 -0.009 0.000 0.176 133 N C 1.174 176.748 175.510 0.106 0.000 1.022 133 N CA 1.335 54.355 53.050 -0.050 0.000 0.883 133 N CB 1.182 39.695 38.487 0.044 0.000 1.019 133 N HN 0.847 nan 8.380 nan 0.000 0.435 134 G N -0.655 108.266 108.800 0.202 0.000 2.825 134 G HA2 0.146 4.101 3.960 -0.009 0.000 0.100 134 G HA3 0.146 4.101 3.960 -0.009 0.000 0.100 134 G C 0.745 175.745 174.900 0.167 0.000 1.195 134 G CA 0.205 45.451 45.100 0.242 0.000 1.317 134 G HN 0.142 nan 8.290 nan 0.000 0.632 135 G N 0.304 109.154 108.800 0.084 0.000 2.469 135 G HA2 -0.040 3.915 3.960 -0.009 0.000 0.219 135 G HA3 -0.040 3.915 3.960 -0.009 0.000 0.219 135 G C 1.858 176.747 174.900 -0.018 0.000 1.150 135 G CA 1.899 47.011 45.100 0.020 0.000 0.763 135 G HN 0.783 nan 8.290 nan 0.000 0.561 136 L N 1.402 122.608 121.223 -0.028 0.000 2.017 136 L HA 0.166 4.501 4.340 -0.009 0.000 0.208 136 L C 2.806 179.614 176.870 -0.103 0.000 1.073 136 L CA 2.488 57.244 54.840 -0.140 0.000 0.745 136 L CB -0.991 40.978 42.059 -0.149 0.000 0.894 136 L HN 0.156 nan 8.230 nan 0.000 0.432 137 G N -1.177 107.624 108.800 0.001 0.000 2.408 137 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.217 137 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.217 137 G C 1.746 176.703 174.900 0.096 0.000 1.150 137 G CA 0.493 45.613 45.100 0.034 0.000 0.776 137 G HN 0.238 nan 8.290 nan 0.000 0.542 138 R N 0.272 120.843 120.500 0.120 0.000 2.092 138 R HA 0.094 4.429 4.340 -0.009 0.000 0.231 138 R C 2.400 178.694 176.300 -0.011 0.000 1.119 138 R CA 0.773 56.922 56.100 0.081 0.000 0.970 138 R CB -1.055 29.252 30.300 0.012 0.000 0.864 138 R HN 0.384 nan 8.270 nan 0.000 0.440 139 L N 0.609 121.754 121.223 -0.131 0.000 2.046 139 L HA -0.043 4.292 4.340 -0.009 0.000 0.208 139 L C 2.155 178.718 176.870 -0.512 0.000 1.077 139 L CA 2.223 56.841 54.840 -0.369 0.000 0.747 139 L CB -0.792 41.003 42.059 -0.440 0.000 0.896 139 L HN 0.194 nan 8.230 nan 0.000 0.432 140 A N -0.586 122.068 122.820 -0.277 0.000 1.933 140 A HA -0.127 4.187 4.320 -0.009 0.000 0.218 140 A C 2.437 180.075 177.584 0.090 0.000 1.175 140 A CA 1.802 53.754 52.037 -0.142 0.000 0.628 140 A CB -1.115 17.759 19.000 -0.210 0.000 0.814 140 A HN 0.579 nan 8.150 nan 0.000 0.444 141 A N -1.068 121.837 122.820 0.142 0.000 1.898 141 A HA -0.147 4.168 4.320 -0.009 0.000 0.216 141 A C 2.304 179.969 177.584 0.136 0.000 1.181 141 A CA 1.616 53.771 52.037 0.196 0.000 0.620 141 A CB -1.246 17.859 19.000 0.175 0.000 0.819 141 A HN 0.591 nan 8.150 nan 0.000 0.442 142 C N -1.445 117.929 119.300 0.123 0.000 2.425 142 C HA -0.057 4.398 4.460 -0.009 0.000 0.277 142 C C 2.422 177.577 174.990 0.275 0.000 1.280 142 C CA 0.570 59.700 59.018 0.188 0.000 1.744 142 C CB -1.614 26.254 27.740 0.213 0.000 1.989 142 C HN 0.603 nan 8.230 nan 0.000 0.491 143 F N 0.619 120.556 119.950 -0.023 0.000 2.134 143 F HA -0.085 4.437 4.527 -0.009 0.000 0.299 143 F C 2.112 177.857 175.800 -0.092 0.000 1.097 143 F CA 1.115 59.048 58.000 -0.111 0.000 1.264 143 F CB -1.391 37.400 39.000 -0.348 0.000 1.001 143 F HN 0.101 nan 8.300 nan 0.000 0.479 144 L N 0.259 121.565 121.223 0.139 0.000 2.046 144 L HA -0.234 4.101 4.340 -0.009 0.000 0.208 144 L C 2.163 179.049 176.870 0.028 0.000 1.077 144 L CA 1.978 56.854 54.840 0.060 0.000 0.747 144 L CB -1.308 40.792 42.059 0.069 0.000 0.896 144 L HN 0.111 nan 8.230 nan 0.000 0.432 145 D N -1.525 118.902 120.400 0.045 0.000 2.097 145 D HA -0.174 4.461 4.640 -0.009 0.000 0.195 145 D C 2.174 178.493 176.300 0.032 0.000 0.989 145 D CA 1.488 55.499 54.000 0.019 0.000 0.827 145 D CB 0.167 40.978 40.800 0.018 0.000 0.966 145 D HN 0.188 nan 8.370 nan 0.000 0.456 146 S N -0.747 114.989 115.700 0.060 0.000 2.383 146 S HA -0.094 4.371 4.470 -0.009 0.000 0.227 146 S C 1.986 176.601 174.600 0.024 0.000 1.026 146 S CA 0.842 59.069 58.200 0.045 0.000 0.981 146 S CB -0.216 63.017 63.200 0.055 0.000 0.818 146 S HN 0.345 nan 8.310 nan 0.000 0.472 147 M N 0.922 120.529 119.600 0.013 0.000 2.213 147 M HA -0.084 4.390 4.480 -0.009 0.000 0.263 147 M C 2.387 178.689 176.300 0.003 0.000 1.062 147 M CA 1.344 56.648 55.300 0.006 0.000 1.105 147 M CB -0.462 32.121 32.600 -0.028 0.000 1.385 147 M HN 0.393 nan 8.290 nan 0.000 0.417 148 A N -0.414 122.405 122.820 -0.002 0.000 1.929 148 A HA -0.086 4.229 4.320 -0.009 0.000 0.216 148 A C 2.150 179.747 177.584 0.022 0.000 1.176 148 A CA 1.743 53.781 52.037 0.002 0.000 0.628 148 A CB -0.913 18.072 19.000 -0.025 0.000 0.816 148 A HN 0.389 nan 8.150 nan 0.000 0.444 149 T N 0.308 114.881 114.554 0.031 0.000 2.915 149 T HA 0.026 4.371 4.350 -0.009 0.000 0.269 149 T C 1.275 176.004 174.700 0.048 0.000 1.071 149 T CA 0.991 63.123 62.100 0.053 0.000 1.132 149 T CB -0.251 68.656 68.868 0.066 0.000 0.878 149 T HN 0.335 nan 8.240 nan 0.000 0.479 150 L N 0.497 121.745 121.223 0.041 0.000 2.653 150 L HA 0.310 4.644 4.340 -0.009 0.000 0.231 150 L C 1.570 178.470 176.870 0.051 0.000 1.153 150 L CA -0.154 54.712 54.840 0.044 0.000 0.933 150 L CB -0.399 41.686 42.059 0.043 0.000 1.175 150 L HN 0.367 nan 8.230 nan 0.000 0.473 151 G N 1.296 110.130 108.800 0.055 0.000 2.305 151 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.287 151 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.287 151 G C 0.076 175.024 174.900 0.080 0.000 1.036 151 G CA 0.114 45.264 45.100 0.084 0.000 0.887 151 G HN 0.293 nan 8.290 nan 0.000 0.505 152 L N -0.288 120.951 121.223 0.027 0.000 2.334 152 L HA 0.619 4.954 4.340 -0.009 0.000 0.277 152 L C 1.176 177.924 176.870 -0.202 0.000 1.075 152 L CA -0.433 54.375 54.840 -0.053 0.000 0.804 152 L CB 1.662 43.704 42.059 -0.028 0.000 1.174 152 L HN 0.257 nan 8.230 nan 0.000 0.438 153 A N 3.003 125.562 122.820 -0.434 0.000 2.990 153 A HA 0.565 4.880 4.320 -0.009 0.000 0.282 153 A C 0.292 177.528 177.584 -0.580 0.000 1.688 153 A CA -0.175 51.319 52.037 -0.905 0.000 1.391 153 A CB -0.645 17.712 19.000 -1.073 0.000 1.112 153 A HN 0.693 nan 8.150 nan 0.000 0.588 154 A N 1.423 123.946 122.820 -0.494 0.000 2.340 154 A HA 0.796 5.111 4.320 -0.009 0.000 0.331 154 A C -1.011 176.293 177.584 -0.465 0.000 1.140 154 A CA -0.458 51.348 52.037 -0.386 0.000 0.801 154 A CB 0.742 19.589 19.000 -0.256 0.000 1.234 154 A HN 0.620 nan 8.150 nan 0.000 0.469 155 Y N 0.277 120.497 120.300 -0.133 0.000 2.373 155 Y HA 0.533 5.078 4.550 -0.008 0.000 0.336 155 Y C 0.832 176.782 175.900 0.083 0.000 0.979 155 Y CA -0.530 57.550 58.100 -0.033 0.000 1.080 155 Y CB 2.404 40.909 38.460 0.074 0.000 1.190 155 Y HN 0.835 nan 8.280 nan 0.000 0.446 156 G N 2.223 111.075 108.800 0.087 0.000 2.338 156 G HA2 0.450 4.404 3.960 -0.009 0.000 0.298 156 G HA3 0.450 4.404 3.960 -0.009 0.000 0.298 156 G C -1.764 173.127 174.900 -0.015 0.000 1.140 156 G CA -0.245 44.951 45.100 0.159 0.000 0.860 156 G HN 0.507 nan 8.290 nan 0.000 0.470 157 Y N 1.020 121.545 120.300 0.375 0.000 2.350 157 Y HA 0.633 5.178 4.550 -0.009 0.000 0.338 157 Y C 0.743 176.936 175.900 0.489 0.000 0.961 157 Y CA 0.159 58.447 58.100 0.313 0.000 1.100 157 Y CB 2.630 41.303 38.460 0.355 0.000 1.179 157 Y HN 0.869 nan 8.280 nan 0.000 0.454 158 G N 2.359 111.473 108.800 0.524 0.000 2.753 158 G HA2 0.607 4.562 3.960 -0.009 0.000 0.303 158 G HA3 0.607 4.562 3.960 -0.009 0.000 0.303 158 G C -1.719 173.410 174.900 0.382 0.000 1.242 158 G CA -0.819 44.617 45.100 0.560 0.000 0.810 158 G HN 0.422 nan 8.290 nan 0.000 0.515 159 I N 0.504 121.194 120.570 0.200 0.000 2.474 159 I HA 0.439 4.604 4.170 -0.009 0.000 0.294 159 I C 0.189 176.196 176.117 -0.182 0.000 1.005 159 I CA -0.743 60.566 61.300 0.015 0.000 1.113 159 I CB 2.272 40.116 38.000 -0.260 0.000 1.289 159 I HN 0.365 nan 8.210 nan 0.000 0.436 160 R N 5.990 126.490 120.500 -0.001 0.000 2.593 160 R HA 0.250 4.585 4.340 -0.009 0.000 0.282 160 R C -1.303 175.042 176.300 0.076 0.000 1.300 160 R CA -0.438 55.696 56.100 0.056 0.000 1.221 160 R CB 0.013 30.325 30.300 0.020 0.000 1.157 160 R HN 0.394 nan 8.270 nan 0.000 0.555 161 Y N 1.556 122.008 120.300 0.253 0.000 2.425 161 Y HA -0.057 4.488 4.550 -0.009 0.000 0.331 161 Y C 1.550 177.618 175.900 0.281 0.000 1.157 161 Y CA 0.005 58.242 58.100 0.228 0.000 1.372 161 Y CB 0.870 39.438 38.460 0.180 0.000 1.253 161 Y HN 0.593 nan 8.280 nan 0.000 0.536 162 E N 1.924 122.302 120.200 0.297 0.000 2.152 162 E HA -0.048 4.297 4.350 -0.009 0.000 0.192 162 E C -0.754 175.713 176.600 -0.222 0.000 0.983 162 E CA 0.697 57.074 56.400 -0.038 0.000 0.818 162 E CB 0.190 29.790 29.700 -0.168 0.000 0.758 162 E HN 0.497 nan 8.360 nan 0.000 0.467 163 F N -0.409 119.757 119.950 0.359 0.000 2.507 163 F HA 0.422 4.943 4.527 -0.009 0.000 0.328 163 F C 0.740 176.618 175.800 0.129 0.000 1.136 163 F CA -0.914 57.251 58.000 0.275 0.000 0.930 163 F CB 1.856 40.951 39.000 0.158 0.000 1.166 163 F HN -0.119 nan 8.300 nan 0.000 0.436 164 G N 1.869 110.754 108.800 0.141 0.000 2.582 164 G HA2 0.339 4.294 3.960 -0.009 0.000 0.232 164 G HA3 0.339 4.294 3.960 -0.009 0.000 0.232 164 G C -0.511 174.332 174.900 -0.095 0.000 1.458 164 G CA -0.674 44.354 45.100 -0.120 0.000 1.062 164 G HN 0.542 nan 8.290 nan 0.000 0.566 165 I N 0.961 121.389 120.570 -0.238 0.000 2.752 165 I HA 0.207 4.371 4.170 -0.009 0.000 0.289 165 I C 0.517 176.528 176.117 -0.176 0.000 1.197 165 I CA -1.103 60.039 61.300 -0.263 0.000 1.432 165 I CB -0.295 37.451 38.000 -0.423 0.000 1.359 165 I HN 0.324 nan 8.210 nan 0.000 0.571 166 F N 6.440 126.399 119.950 0.016 0.000 2.589 166 F HA 0.282 4.804 4.527 -0.008 0.000 0.352 166 F C 0.456 176.307 175.800 0.085 0.000 1.168 166 F CA -0.581 57.453 58.000 0.056 0.000 1.353 166 F CB -0.267 38.755 39.000 0.037 0.000 1.116 166 F HN 0.424 nan 8.300 nan 0.000 0.608 167 N N 2.197 121.087 118.700 0.317 0.000 2.488 167 N HA 0.068 4.803 4.740 -0.009 0.000 0.274 167 N C -0.898 174.861 175.510 0.415 0.000 1.111 167 N CA -0.323 52.881 53.050 0.256 0.000 0.974 167 N CB 1.259 39.883 38.487 0.227 0.000 1.089 167 N HN 0.755 nan 8.380 nan 0.000 0.465 168 Q N 2.388 122.400 119.800 0.354 0.000 2.278 168 Q HA 0.186 4.521 4.340 -0.009 0.000 0.257 168 Q C -0.977 175.197 176.000 0.290 0.000 0.928 168 Q CA -0.401 55.645 55.803 0.406 0.000 0.932 168 Q CB 0.734 29.718 28.738 0.410 0.000 1.221 168 Q HN 0.233 nan 8.270 nan 0.000 0.434 169 K N 4.218 124.761 120.400 0.238 0.000 2.259 169 K HA 0.471 4.786 4.320 -0.009 0.000 0.252 169 K C -0.713 175.982 176.600 0.158 0.000 0.936 169 K CA -0.879 55.522 56.287 0.191 0.000 0.810 169 K CB 1.596 34.187 32.500 0.152 0.000 1.143 169 K HN 0.630 nan 8.250 nan 0.000 0.427 170 I N 2.662 123.317 120.570 0.142 0.000 2.330 170 I HA 0.215 4.380 4.170 -0.009 0.000 0.289 170 I C -0.280 175.891 176.117 0.089 0.000 1.001 170 I CA -0.645 60.707 61.300 0.086 0.000 1.193 170 I CB 0.748 38.778 38.000 0.049 0.000 1.345 170 I HN 0.417 nan 8.210 nan 0.000 0.461 171 C N 3.960 123.324 119.300 0.107 0.000 2.340 171 C HA 0.588 5.042 4.460 -0.009 0.000 0.323 171 C C 1.178 176.271 174.990 0.172 0.000 1.260 171 C CA -0.466 58.622 59.018 0.117 0.000 1.464 171 C CB 0.567 28.369 27.740 0.104 0.000 2.156 171 C HN 1.086 nan 8.230 nan 0.000 0.476 172 G N 2.417 111.292 108.800 0.125 0.000 2.258 172 G HA2 0.103 4.058 3.960 -0.009 0.000 0.274 172 G HA3 0.103 4.058 3.960 -0.009 0.000 0.274 172 G C 1.100 176.035 174.900 0.058 0.000 1.021 172 G CA 1.021 46.208 45.100 0.145 0.000 0.798 172 G HN 2.404 nan 8.290 nan 0.000 0.507 173 G N -3.039 105.732 108.800 -0.048 0.000 2.179 173 G HA2 -0.285 3.670 3.960 -0.009 0.000 0.260 173 G HA3 -0.285 3.670 3.960 -0.009 0.000 0.260 173 G C 0.336 175.002 174.900 -0.389 0.000 0.977 173 G CA 0.655 45.603 45.100 -0.254 0.000 0.641 173 G HN 1.187 nan 8.290 nan 0.000 0.533 174 W N 0.668 121.908 121.300 -0.099 0.000 2.516 174 W HA 0.671 5.326 4.660 -0.008 0.000 0.343 174 W C 0.588 177.044 176.519 -0.104 0.000 1.094 174 W CA -0.900 56.379 57.345 -0.110 0.000 1.250 174 W CB 0.857 30.269 29.460 -0.079 0.000 1.308 174 W HN 0.235 nan 8.180 nan 0.000 0.588 175 Q N 2.939 122.830 119.800 0.150 0.000 2.304 175 Q HA 0.290 4.625 4.340 -0.009 0.000 0.260 175 Q C -0.658 175.392 176.000 0.082 0.000 0.965 175 Q CA 0.055 55.913 55.803 0.091 0.000 0.898 175 Q CB 0.589 29.373 28.738 0.076 0.000 1.196 175 Q HN 0.313 nan 8.270 nan 0.000 0.402 176 M N 3.096 122.740 119.600 0.073 0.000 2.393 176 M HA 0.398 4.873 4.480 -0.009 0.000 0.316 176 M C -1.113 175.189 176.300 0.004 0.000 1.087 176 M CA -0.672 54.640 55.300 0.021 0.000 0.937 176 M CB 1.815 34.443 32.600 0.045 0.000 1.668 176 M HN 0.623 nan 8.290 nan 0.000 0.438 177 E N 1.666 121.798 120.200 -0.115 0.000 2.202 177 E HA 0.547 4.892 4.350 -0.009 0.000 0.272 177 E C -0.734 175.850 176.600 -0.026 0.000 0.951 177 E CA -0.616 55.678 56.400 -0.176 0.000 0.813 177 E CB 1.821 31.148 29.700 -0.620 0.000 1.151 177 E HN 0.536 nan 8.360 nan 0.000 0.398 178 E N 0.683 120.948 120.200 0.108 0.000 2.331 178 E HA 0.667 5.012 4.350 -0.009 0.000 0.275 178 E C -1.208 175.483 176.600 0.152 0.000 0.895 178 E CA -1.404 55.053 56.400 0.095 0.000 0.753 178 E CB 1.371 31.136 29.700 0.108 0.000 1.216 178 E HN 0.494 nan 8.360 nan 0.000 0.434 179 A N 2.532 125.397 122.820 0.074 0.000 2.584 179 A HA 0.019 4.333 4.320 -0.009 0.000 0.239 179 A C 0.035 177.791 177.584 0.287 0.000 1.043 179 A CA 0.557 52.648 52.037 0.091 0.000 0.756 179 A CB -0.059 18.849 19.000 -0.153 0.000 0.963 179 A HN 0.678 nan 8.150 nan 0.000 0.511 180 D N 1.803 122.449 120.400 0.409 0.000 2.522 180 D HA 0.194 4.829 4.640 -0.009 0.000 0.218 180 D C -0.382 176.257 176.300 0.565 0.000 1.149 180 D CA -0.214 54.028 54.000 0.403 0.000 0.981 180 D CB 0.261 41.226 40.800 0.276 0.000 1.041 180 D HN 0.400 nan 8.370 nan 0.000 0.518 181 D N 3.521 124.219 120.400 0.497 0.000 2.801 181 D HA -0.031 4.604 4.640 -0.009 0.000 0.232 181 D C 1.219 177.668 176.300 0.247 0.000 1.128 181 D CA -0.534 53.675 54.000 0.348 0.000 1.003 181 D CB -0.201 40.804 40.800 0.342 0.000 1.110 181 D HN 0.528 nan 8.370 nan 0.000 0.477 182 W N 1.826 123.162 121.300 0.061 0.000 2.611 182 W HA -0.044 4.611 4.660 -0.009 0.000 0.251 182 W C 0.032 176.602 176.519 0.085 0.000 1.265 182 W CA 0.125 57.525 57.345 0.091 0.000 1.295 182 W CB -0.737 28.776 29.460 0.088 0.000 1.129 182 W HN 0.203 nan 8.180 nan 0.000 0.630 183 L N 0.873 121.754 121.223 -0.571 0.000 2.607 183 L HA 0.181 4.515 4.340 -0.009 0.000 0.228 183 L C 2.726 179.438 176.870 -0.262 0.000 1.123 183 L CA -0.079 54.389 54.840 -0.620 0.000 0.890 183 L CB -0.600 40.976 42.059 -0.806 0.000 1.103 183 L HN -0.111 nan 8.230 nan 0.000 0.468 184 R N 0.804 121.216 120.500 -0.147 0.000 2.136 184 R HA -0.253 4.081 4.340 -0.009 0.000 0.242 184 R C 1.433 177.575 176.300 -0.264 0.000 1.131 184 R CA 2.286 58.269 56.100 -0.194 0.000 0.937 184 R CB -0.302 29.887 30.300 -0.185 0.000 0.863 184 R HN 0.288 nan 8.270 nan 0.000 0.435 185 Y N -0.277 120.044 120.300 0.035 0.000 2.461 185 Y HA 0.298 4.843 4.550 -0.009 0.000 0.277 185 Y C 0.806 176.714 175.900 0.014 0.000 1.182 185 Y CA 0.495 58.623 58.100 0.047 0.000 1.276 185 Y CB 0.698 39.288 38.460 0.217 0.000 1.087 185 Y HN 0.508 nan 8.280 nan 0.000 0.519 186 G N 1.297 110.147 108.800 0.084 0.000 2.690 186 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.686 186 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.686 186 G C -1.204 173.773 174.900 0.128 0.000 1.277 186 G CA -0.833 44.287 45.100 0.034 0.000 0.799 186 G HN 0.263 nan 8.290 nan 0.000 0.613 187 N N 1.513 120.223 118.700 0.016 0.000 2.564 187 N HA 0.568 5.303 4.740 -0.009 0.000 0.248 187 N C -0.500 175.002 175.510 -0.013 0.000 0.986 187 N CA -1.985 51.086 53.050 0.035 0.000 0.921 187 N CB 1.946 40.382 38.487 -0.084 0.000 1.136 187 N HN 0.262 nan 8.380 nan 0.000 0.509 188 P HA -0.008 nan 4.420 nan 0.000 0.230 188 P C 0.437 177.394 177.300 -0.570 0.000 1.158 188 P CA 0.770 63.561 63.100 -0.515 0.000 0.769 188 P CB 0.067 31.208 31.700 -0.931 0.000 0.807 189 W N 1.800 123.104 121.300 0.007 0.000 3.003 189 W HA 0.099 4.754 4.660 -0.008 0.000 0.257 189 W C 1.053 177.604 176.519 0.054 0.000 1.308 189 W CA -0.462 56.883 57.345 0.000 0.000 1.529 189 W CB -0.032 29.433 29.460 0.009 0.000 1.115 189 W HN 0.039 nan 8.180 nan 0.000 0.659 190 E N 1.400 121.755 120.200 0.258 0.000 2.204 190 E HA 0.410 4.755 4.350 -0.009 0.000 0.276 190 E C -0.742 176.017 176.600 0.265 0.000 0.974 190 E CA -1.006 55.566 56.400 0.286 0.000 0.815 190 E CB 1.630 31.515 29.700 0.308 0.000 1.119 190 E HN -0.324 nan 8.360 nan 0.000 0.393 191 K N 2.169 122.743 120.400 0.291 0.000 2.425 191 K HA 0.420 4.735 4.320 -0.009 0.000 0.259 191 K C -1.074 175.549 176.600 0.039 0.000 0.978 191 K CA -0.513 55.883 56.287 0.181 0.000 0.883 191 K CB 1.354 33.982 32.500 0.213 0.000 1.110 191 K HN 0.661 nan 8.250 nan 0.000 0.436 192 A N 4.282 127.036 122.820 -0.109 0.000 2.477 192 A HA 0.337 4.651 4.320 -0.009 0.000 0.246 192 A C -0.215 177.184 177.584 -0.308 0.000 1.078 192 A CA -0.134 51.595 52.037 -0.512 0.000 0.770 192 A CB 0.220 18.897 19.000 -0.539 0.000 1.011 192 A HN 0.676 nan 8.150 nan 0.000 0.494 193 R N 3.173 123.484 120.500 -0.316 0.000 2.886 193 R HA 0.196 4.531 4.340 -0.009 0.000 0.306 193 R C -2.271 173.894 176.300 -0.224 0.000 1.300 193 R CA -1.747 54.242 56.100 -0.185 0.000 1.441 193 R CB 0.572 30.939 30.300 0.113 0.000 1.328 193 R HN 0.606 nan 8.270 nan 0.000 0.629 194 P HA -0.217 nan 4.420 nan 0.000 0.218 194 P C 0.842 178.030 177.300 -0.186 0.000 1.146 194 P CA 1.264 64.266 63.100 -0.164 0.000 0.813 194 P CB 0.362 31.976 31.700 -0.144 0.000 0.778 195 E N 0.082 120.050 120.200 -0.387 0.000 2.338 195 E HA -0.139 4.206 4.350 -0.009 0.000 0.197 195 E C 0.964 177.302 176.600 -0.437 0.000 1.007 195 E CA 0.785 56.892 56.400 -0.488 0.000 0.849 195 E CB -1.011 28.246 29.700 -0.737 0.000 0.774 195 E HN 0.394 nan 8.360 nan 0.000 0.506 196 F N 1.710 121.673 119.950 0.022 0.000 2.684 196 F HA 0.231 4.752 4.527 -0.009 0.000 0.298 196 F C 0.532 176.427 175.800 0.158 0.000 1.120 196 F CA -0.670 57.375 58.000 0.075 0.000 1.332 196 F CB 0.574 39.613 39.000 0.066 0.000 0.986 196 F HN -0.285 nan 8.300 nan 0.000 0.524 197 T N 2.929 117.618 114.554 0.224 0.000 2.928 197 T HA 0.219 4.564 4.350 -0.009 0.000 0.305 197 T C -0.235 174.566 174.700 0.168 0.000 1.035 197 T CA 0.343 62.577 62.100 0.223 0.000 1.145 197 T CB 0.786 69.730 68.868 0.128 0.000 0.963 197 T HN -0.121 nan 8.240 nan 0.000 0.545 198 L N 5.426 126.715 121.223 0.110 0.000 2.354 198 L HA 0.585 4.920 4.340 -0.009 0.000 0.264 198 L C -2.208 174.611 176.870 -0.085 0.000 1.008 198 L CA -2.558 52.269 54.840 -0.023 0.000 0.819 198 L CB 1.989 43.957 42.059 -0.151 0.000 1.339 198 L HN 0.389 nan 8.230 nan 0.000 0.420 199 P HA 0.379 nan 4.420 nan 0.000 0.288 199 P C -1.276 175.868 177.300 -0.260 0.000 1.267 199 P CA -0.398 62.605 63.100 -0.161 0.000 0.815 199 P CB 1.954 33.560 31.700 -0.158 0.000 0.989 200 V N 3.915 123.666 119.914 -0.273 0.000 2.540 200 V HA 0.328 4.442 4.120 -0.009 0.000 0.302 200 V C 0.198 176.065 176.094 -0.379 0.000 1.035 200 V CA -0.625 61.505 62.300 -0.282 0.000 0.873 200 V CB 1.494 33.239 31.823 -0.130 0.000 0.992 200 V HN 0.609 nan 8.190 nan 0.000 0.428 201 H N 3.726 122.662 119.070 -0.224 0.000 2.479 201 H HA 0.643 5.194 4.556 -0.009 0.000 0.335 201 H C -1.268 173.810 175.328 -0.417 0.000 1.142 201 H CA -0.157 55.677 56.048 -0.356 0.000 1.234 201 H CB 1.908 31.180 29.762 -0.817 0.000 1.503 201 H HN 0.485 nan 8.280 nan 0.000 0.510 202 F N 0.139 120.151 119.950 0.103 0.000 2.613 202 F HA 0.205 4.727 4.527 -0.009 0.000 0.314 202 F C -0.271 175.643 175.800 0.189 0.000 1.075 202 F CA -0.537 57.528 58.000 0.107 0.000 0.945 202 F CB 1.066 40.024 39.000 -0.069 0.000 1.310 202 F HN 0.534 nan 8.300 nan 0.000 0.467 203 Y N 0.222 120.833 120.300 0.518 0.000 2.896 203 Y HA -0.006 4.539 4.550 -0.009 0.000 0.466 203 Y C 1.346 177.512 175.900 0.445 0.000 1.197 203 Y CA 0.703 59.025 58.100 0.370 0.000 2.513 203 Y CB -1.905 36.703 38.460 0.247 0.000 1.232 203 Y HN 1.317 nan 8.280 nan 0.000 0.632 204 G N 0.675 109.762 108.800 0.479 0.000 2.645 204 G HA2 0.103 4.057 3.960 -0.009 0.000 0.239 204 G HA3 0.103 4.057 3.960 -0.009 0.000 0.239 204 G C -0.559 174.560 174.900 0.366 0.000 1.331 204 G CA 0.862 46.166 45.100 0.340 0.000 0.890 204 G HN 1.349 nan 8.290 nan 0.000 0.572 205 R N -2.515 118.192 120.500 0.345 0.000 2.734 205 R HA 0.709 5.044 4.340 -0.009 0.000 0.271 205 R C -1.351 175.084 176.300 0.226 0.000 1.021 205 R CA -0.995 55.247 56.100 0.237 0.000 0.893 205 R CB 1.372 31.758 30.300 0.144 0.000 1.244 205 R HN 0.873 nan 8.270 nan 0.000 0.464 206 V N 0.931 120.893 119.914 0.079 0.000 2.394 206 V HA 0.346 4.461 4.120 -0.009 0.000 0.282 206 V C -0.153 175.870 176.094 -0.117 0.000 1.031 206 V CA -0.528 61.745 62.300 -0.045 0.000 0.881 206 V CB 1.337 33.060 31.823 -0.168 0.000 0.982 206 V HN 0.690 nan 8.190 nan 0.000 0.451 207 E N 2.930 123.043 120.200 -0.145 0.000 2.158 207 E HA 0.393 4.738 4.350 -0.009 0.000 0.271 207 E C -1.029 175.436 176.600 -0.225 0.000 0.911 207 E CA -0.710 55.622 56.400 -0.113 0.000 0.767 207 E CB 0.950 30.635 29.700 -0.025 0.000 1.120 207 E HN 0.669 nan 8.360 nan 0.000 0.405 208 H N 2.819 121.904 119.070 0.026 0.000 2.685 208 H HA 0.160 4.710 4.556 -0.009 0.000 0.286 208 H C 0.232 175.569 175.328 0.015 0.000 1.102 208 H CA -0.200 55.858 56.048 0.017 0.000 1.254 208 H CB 0.718 30.485 29.762 0.010 0.000 1.397 208 H HN 0.558 nan 8.280 nan 0.000 0.473 209 T N -0.601 114.011 114.554 0.098 0.000 2.888 209 T HA 0.209 4.554 4.350 -0.009 0.000 0.283 209 T C 1.609 176.347 174.700 0.063 0.000 1.013 209 T CA -0.566 61.574 62.100 0.066 0.000 0.938 209 T CB 0.946 69.837 68.868 0.038 0.000 1.298 209 T HN 0.321 nan 8.240 nan 0.000 0.580 210 S N 0.375 116.100 115.700 0.043 0.000 2.392 210 S HA -0.146 4.319 4.470 -0.009 0.000 0.225 210 S C 0.950 175.573 174.600 0.038 0.000 1.041 210 S CA 1.396 59.617 58.200 0.035 0.000 1.100 210 S CB -0.588 62.628 63.200 0.026 0.000 1.029 210 S HN 0.752 nan 8.310 nan 0.000 0.424 211 Q N 0.634 120.455 119.800 0.035 0.000 2.466 211 Q HA 0.546 4.881 4.340 -0.009 0.000 0.242 211 Q C 0.085 176.109 176.000 0.041 0.000 1.046 211 Q CA 0.453 56.278 55.803 0.036 0.000 0.841 211 Q CB 0.601 29.356 28.738 0.029 0.000 1.193 211 Q HN 0.593 nan 8.270 nan 0.000 0.508 212 G N 1.475 110.309 108.800 0.057 0.000 2.730 212 G HA2 0.111 4.065 3.960 -0.009 0.000 0.686 212 G HA3 0.111 4.065 3.960 -0.009 0.000 0.686 212 G C -0.821 174.118 174.900 0.066 0.000 1.343 212 G CA -0.638 44.500 45.100 0.064 0.000 0.826 212 G HN 0.788 nan 8.290 nan 0.000 0.582 213 A N 0.605 123.454 122.820 0.048 0.000 2.293 213 A HA 0.854 5.169 4.320 -0.009 0.000 0.302 213 A C 0.360 177.908 177.584 -0.060 0.000 1.119 213 A CA -0.115 51.885 52.037 -0.061 0.000 0.823 213 A CB 0.974 19.893 19.000 -0.135 0.000 1.097 213 A HN 0.830 nan 8.150 nan 0.000 0.491 214 K N 0.526 120.876 120.400 -0.082 0.000 2.427 214 K HA 0.250 4.565 4.320 -0.009 0.000 0.252 214 K C -1.801 174.835 176.600 0.060 0.000 0.931 214 K CA -0.371 55.912 56.287 -0.008 0.000 0.793 214 K CB 2.243 34.739 32.500 -0.006 0.000 1.211 214 K HN 0.698 nan 8.250 nan 0.000 0.426 215 W N 5.271 126.490 121.300 -0.134 0.000 2.311 215 W HA 0.355 5.010 4.660 -0.009 0.000 0.317 215 W C -0.740 175.713 176.519 -0.110 0.000 1.065 215 W CA -0.824 56.447 57.345 -0.123 0.000 1.364 215 W CB 0.174 29.550 29.460 -0.139 0.000 1.233 215 W HN 0.350 nan 8.180 nan 0.000 0.409 216 V N 2.742 122.709 119.914 0.088 0.000 3.158 216 V HA 0.618 4.733 4.120 -0.009 0.000 0.315 216 V C -0.085 175.985 176.094 -0.039 0.000 1.148 216 V CA -0.884 61.386 62.300 -0.050 0.000 1.042 216 V CB 1.945 33.768 31.823 -0.000 0.000 1.101 216 V HN 0.452 nan 8.190 nan 0.000 0.448 217 D N 0.126 120.503 120.400 -0.039 0.000 2.870 217 D HA -0.137 4.498 4.640 -0.009 0.000 0.228 217 D C 0.536 176.846 176.300 0.017 0.000 1.147 217 D CA 1.513 55.517 54.000 0.007 0.000 0.757 217 D CB -1.592 39.235 40.800 0.046 0.000 1.091 217 D HN 1.312 nan 8.370 nan 0.000 0.429 218 T N -2.748 111.765 114.554 -0.067 0.000 2.899 218 T HA 0.492 4.837 4.350 -0.009 0.000 0.284 218 T C 0.419 175.189 174.700 0.118 0.000 1.004 218 T CA -0.715 61.366 62.100 -0.032 0.000 1.043 218 T CB 2.030 70.696 68.868 -0.337 0.000 1.013 218 T HN 0.031 nan 8.240 nan 0.000 0.518 219 Q N 0.735 120.679 119.800 0.241 0.000 2.241 219 Q HA 0.577 4.912 4.340 -0.009 0.000 0.254 219 Q C -0.972 175.185 176.000 0.262 0.000 0.917 219 Q CA -0.900 55.074 55.803 0.284 0.000 0.919 219 Q CB 2.009 30.990 28.738 0.405 0.000 1.237 219 Q HN 0.514 nan 8.270 nan 0.000 0.434 220 V N 2.907 122.936 119.914 0.192 0.000 2.483 220 V HA 0.470 4.585 4.120 -0.009 0.000 0.295 220 V C -0.285 175.877 176.094 0.114 0.000 1.035 220 V CA -0.659 61.673 62.300 0.054 0.000 0.896 220 V CB 1.851 33.634 31.823 -0.068 0.000 0.986 220 V HN 0.492 nan 8.190 nan 0.000 0.447 221 V N 5.482 125.462 119.914 0.110 0.000 2.735 221 V HA 0.501 4.615 4.120 -0.009 0.000 0.310 221 V C -0.269 175.895 176.094 0.117 0.000 1.061 221 V CA -0.628 61.739 62.300 0.111 0.000 0.913 221 V CB 2.079 34.027 31.823 0.208 0.000 1.005 221 V HN 0.636 nan 8.190 nan 0.000 0.428 222 L N 3.350 124.637 121.223 0.107 0.000 2.357 222 L HA 0.765 5.100 4.340 -0.009 0.000 0.273 222 L C 0.372 177.408 176.870 0.277 0.000 1.080 222 L CA -0.442 54.474 54.840 0.126 0.000 0.803 222 L CB 1.452 43.566 42.059 0.092 0.000 1.174 222 L HN 0.742 nan 8.230 nan 0.000 0.443 223 A N 4.725 127.668 122.820 0.205 0.000 2.267 223 A HA 0.583 4.898 4.320 -0.009 0.000 0.315 223 A C -0.500 177.363 177.584 0.465 0.000 1.297 223 A CA -0.464 51.741 52.037 0.280 0.000 0.865 223 A CB 0.935 19.667 19.000 -0.446 0.000 1.165 223 A HN 0.789 nan 8.150 nan 0.000 0.513 224 M N 6.258 126.182 119.600 0.541 0.000 2.129 224 M HA 0.446 4.920 4.480 -0.009 0.000 0.348 224 M C -2.574 173.987 176.300 0.435 0.000 1.116 224 M CA -2.128 53.425 55.300 0.421 0.000 1.022 224 M CB 2.027 34.799 32.600 0.285 0.000 1.599 224 M HN 0.380 nan 8.290 nan 0.000 0.449 225 P HA 0.238 nan 4.420 nan 0.000 0.286 225 P C -1.958 175.261 177.300 -0.135 0.000 1.261 225 P CA -0.084 62.913 63.100 -0.172 0.000 0.821 225 P CB 0.676 32.054 31.700 -0.535 0.000 1.013 226 Y N 0.614 120.846 120.300 -0.113 0.000 2.331 226 Y HA 0.318 4.863 4.550 -0.009 0.000 0.334 226 Y C 0.162 176.052 175.900 -0.017 0.000 0.960 226 Y CA -0.285 57.809 58.100 -0.009 0.000 1.130 226 Y CB 1.411 39.895 38.460 0.039 0.000 1.164 226 Y HN 0.219 nan 8.280 nan 0.000 0.458 227 D N 1.945 122.452 120.400 0.178 0.000 2.193 227 D HA 0.411 5.046 4.640 -0.009 0.000 0.244 227 D C -0.619 175.903 176.300 0.369 0.000 1.064 227 D CA -0.230 53.918 54.000 0.247 0.000 0.845 227 D CB 1.755 42.734 40.800 0.298 0.000 1.148 227 D HN 0.364 nan 8.370 nan 0.000 0.464 228 T N 3.362 118.042 114.554 0.210 0.000 2.812 228 T HA 0.451 4.796 4.350 -0.009 0.000 0.282 228 T C -2.514 172.048 174.700 -0.231 0.000 0.990 228 T CA -1.451 60.679 62.100 0.050 0.000 0.960 228 T CB 2.023 70.915 68.868 0.040 0.000 0.948 228 T HN 0.178 nan 8.240 nan 0.000 0.438 229 P HA 0.287 nan 4.420 nan 0.000 0.275 229 P C -0.977 176.000 177.300 -0.539 0.000 1.227 229 P CA -0.370 62.067 63.100 -1.105 0.000 0.781 229 P CB 0.869 31.649 31.700 -1.533 0.000 0.906 230 V N 5.319 124.976 119.914 -0.428 0.000 2.289 230 V HA 0.248 4.363 4.120 -0.009 0.000 0.272 230 V C -1.993 173.971 176.094 -0.217 0.000 1.026 230 V CA -1.934 60.209 62.300 -0.261 0.000 0.807 230 V CB 1.309 33.026 31.823 -0.177 0.000 1.044 230 V HN 0.553 nan 8.190 nan 0.000 0.443 231 P HA 0.234 nan 4.420 nan 0.000 0.276 231 P C 0.374 177.623 177.300 -0.084 0.000 1.235 231 P CA 0.390 63.402 63.100 -0.148 0.000 0.772 231 P CB 1.666 33.275 31.700 -0.152 0.000 0.871 232 G N 2.432 111.200 108.800 -0.055 0.000 2.599 232 G HA2 0.149 4.104 3.960 -0.009 0.000 0.264 232 G HA3 0.149 4.104 3.960 -0.009 0.000 0.264 232 G C -1.202 173.710 174.900 0.020 0.000 1.200 232 G CA -0.619 44.478 45.100 -0.005 0.000 0.896 232 G HN 0.527 nan 8.290 nan 0.000 0.536 233 Y N 0.474 120.736 120.300 -0.064 0.000 2.584 233 Y HA 0.282 4.826 4.550 -0.009 0.000 0.351 233 Y C 1.228 177.090 175.900 -0.063 0.000 1.030 233 Y CA -0.243 57.815 58.100 -0.070 0.000 1.332 233 Y CB 0.157 38.574 38.460 -0.072 0.000 1.148 233 Y HN 0.704 nan 8.280 nan 0.000 0.528 234 R N 2.725 122.918 120.500 -0.511 0.000 3.610 234 R HA -0.320 4.015 4.340 -0.009 0.000 0.274 234 R C 0.029 176.194 176.300 -0.225 0.000 1.123 234 R CA 1.515 57.347 56.100 -0.448 0.000 0.747 234 R CB -1.921 27.953 30.300 -0.710 0.000 1.149 234 R HN 0.945 nan 8.270 nan 0.000 0.471 235 N N -1.390 117.228 118.700 -0.136 0.000 2.177 235 N HA 0.071 4.805 4.740 -0.009 0.000 0.218 235 N C -0.199 175.264 175.510 -0.079 0.000 1.182 235 N CA -0.331 52.670 53.050 -0.082 0.000 0.882 235 N CB 0.519 38.984 38.487 -0.037 0.000 1.052 235 N HN 0.081 nan 8.380 nan 0.000 0.519 236 N N -0.187 118.460 118.700 -0.087 0.000 2.753 236 N HA -0.134 4.601 4.740 -0.009 0.000 0.251 236 N C -0.945 174.522 175.510 -0.072 0.000 1.097 236 N CA 0.573 53.578 53.050 -0.074 0.000 0.786 236 N CB -1.253 37.191 38.487 -0.073 0.000 1.137 236 N HN 0.188 nan 8.380 nan 0.000 0.566 237 V N 1.150 121.025 119.914 -0.064 0.000 2.509 237 V HA 0.459 4.574 4.120 -0.009 0.000 0.284 237 V C 0.566 176.629 176.094 -0.052 0.000 1.047 237 V CA -0.470 61.799 62.300 -0.053 0.000 0.952 237 V CB 2.175 33.993 31.823 -0.009 0.000 0.988 237 V HN -0.044 nan 8.190 nan 0.000 0.469 238 V N 5.422 125.311 119.914 -0.043 0.000 2.419 238 V HA 0.430 4.545 4.120 -0.009 0.000 0.287 238 V C -0.113 175.969 176.094 -0.020 0.000 1.017 238 V CA -0.846 61.399 62.300 -0.092 0.000 0.844 238 V CB 1.497 33.239 31.823 -0.134 0.000 1.011 238 V HN 0.849 nan 8.190 nan 0.000 0.429 239 N N 1.962 120.623 118.700 -0.064 0.000 2.476 239 N HA 0.575 5.310 4.740 -0.009 0.000 0.287 239 N C -0.056 175.439 175.510 -0.026 0.000 1.262 239 N CA -0.283 52.752 53.050 -0.025 0.000 0.980 239 N CB 1.212 39.641 38.487 -0.096 0.000 1.163 239 N HN 0.574 nan 8.380 nan 0.000 0.592 240 T N 0.704 115.248 114.554 -0.016 0.000 2.861 240 T HA 0.423 4.768 4.350 -0.009 0.000 0.287 240 T C -0.347 174.322 174.700 -0.051 0.000 1.003 240 T CA -0.525 61.634 62.100 0.098 0.000 0.977 240 T CB 1.229 70.288 68.868 0.318 0.000 0.996 240 T HN 0.321 nan 8.240 nan 0.000 0.448 241 M N 3.644 123.186 119.600 -0.098 0.000 2.072 241 M HA 0.514 4.989 4.480 -0.009 0.000 0.331 241 M C -0.570 175.590 176.300 -0.233 0.000 1.004 241 M CA -0.745 54.406 55.300 -0.250 0.000 0.952 241 M CB 0.760 33.162 32.600 -0.329 0.000 1.511 241 M HN 0.482 nan 8.290 nan 0.000 0.422 242 R N 4.714 124.979 120.500 -0.392 0.000 2.229 242 R HA 0.560 4.894 4.340 -0.009 0.000 0.332 242 R C -1.946 174.107 176.300 -0.412 0.000 0.989 242 R CA -0.569 55.269 56.100 -0.436 0.000 0.842 242 R CB 0.882 30.776 30.300 -0.678 0.000 1.119 242 R HN 0.643 nan 8.270 nan 0.000 0.456 243 L N 5.497 126.558 121.223 -0.270 0.000 2.322 243 L HA 0.476 4.811 4.340 -0.009 0.000 0.281 243 L C -1.019 175.791 176.870 -0.100 0.000 1.014 243 L CA -0.563 54.207 54.840 -0.117 0.000 0.815 243 L CB 1.205 43.279 42.059 0.026 0.000 1.247 243 L HN 0.624 nan 8.230 nan 0.000 0.421 244 W N 2.107 123.529 121.300 0.203 0.000 2.376 244 W HA 0.618 5.273 4.660 -0.009 0.000 0.322 244 W C 0.507 177.250 176.519 0.373 0.000 1.160 244 W CA -0.311 57.169 57.345 0.226 0.000 1.218 244 W CB 1.467 30.895 29.460 -0.053 0.000 1.205 244 W HN 0.442 nan 8.180 nan 0.000 0.559 245 S N 1.789 117.900 115.700 0.685 0.000 2.500 245 S HA 0.763 5.228 4.470 -0.009 0.000 0.301 245 S C -0.487 174.453 174.600 0.566 0.000 1.092 245 S CA -0.731 57.773 58.200 0.507 0.000 1.030 245 S CB 0.634 64.065 63.200 0.384 0.000 1.031 245 S HN 0.550 nan 8.310 nan 0.000 0.483 246 A N 4.870 127.855 122.820 0.275 0.000 2.409 246 A HA 0.618 4.933 4.320 -0.009 0.000 0.262 246 A C -0.080 177.555 177.584 0.084 0.000 1.113 246 A CA -0.188 51.893 52.037 0.072 0.000 0.790 246 A CB 0.290 19.061 19.000 -0.382 0.000 1.046 246 A HN 0.642 nan 8.150 nan 0.000 0.496 247 K N 1.352 121.812 120.400 0.101 0.000 2.443 247 K HA 0.575 4.890 4.320 -0.009 0.000 0.252 247 K C -0.529 176.043 176.600 -0.046 0.000 0.933 247 K CA -0.357 55.954 56.287 0.040 0.000 0.792 247 K CB 2.104 34.663 32.500 0.098 0.000 1.185 247 K HN 0.839 nan 8.250 nan 0.000 0.425 248 A N 4.955 127.683 122.820 -0.153 0.000 2.388 248 A HA 0.457 4.771 4.320 -0.009 0.000 0.257 248 A C -2.059 175.453 177.584 -0.120 0.000 1.095 248 A CA -1.015 50.830 52.037 -0.320 0.000 0.791 248 A CB -0.219 18.408 19.000 -0.621 0.000 1.029 248 A HN 0.379 nan 8.150 nan 0.000 0.489 249 P HA 0.095 nan 4.420 nan 0.000 0.272 249 P C 0.011 177.385 177.300 0.123 0.000 1.240 249 P CA -0.406 62.736 63.100 0.069 0.000 0.791 249 P CB 0.641 32.409 31.700 0.114 0.000 0.978 250 N N 0.767 119.531 118.700 0.106 0.000 2.409 250 N HA -0.096 4.638 4.740 -0.009 0.000 0.179 250 N C 0.907 176.500 175.510 0.137 0.000 1.032 250 N CA 0.976 54.094 53.050 0.114 0.000 0.898 250 N CB -0.385 38.151 38.487 0.081 0.000 0.971 250 N HN 0.568 nan 8.380 nan 0.000 0.441 251 D N -0.420 120.061 120.400 0.135 0.000 2.340 251 D HA -0.090 4.545 4.640 -0.009 0.000 0.220 251 D C 0.269 176.645 176.300 0.126 0.000 1.039 251 D CA -0.476 53.590 54.000 0.110 0.000 0.866 251 D CB -0.843 40.006 40.800 0.081 0.000 0.913 251 D HN 0.020 nan 8.370 nan 0.000 0.523 252 F N 1.998 121.964 119.950 0.026 0.000 2.602 252 F HA 0.030 4.552 4.527 -0.009 0.000 0.385 252 F C 1.037 176.844 175.800 0.011 0.000 1.063 252 F CA 0.425 58.437 58.000 0.020 0.000 1.233 252 F CB -0.130 38.881 39.000 0.018 0.000 1.067 252 F HN -0.074 nan 8.300 nan 0.000 0.564 253 N N 2.123 120.397 118.700 -0.711 0.000 2.815 253 N HA -0.277 4.458 4.740 -0.009 0.000 0.247 253 N C -0.750 174.643 175.510 -0.194 0.000 1.030 253 N CA 1.267 54.010 53.050 -0.512 0.000 0.881 253 N CB -0.952 37.238 38.487 -0.495 0.000 1.134 253 N HN 0.507 nan 8.380 nan 0.000 0.582 262 Y N 1.115 121.415 120.300 0.001 0.000 2.081 262 Y HA -0.171 4.373 4.550 -0.009 0.000 0.280 262 Y C 2.518 178.426 175.900 0.014 0.000 1.163 262 Y CA 2.286 60.390 58.100 0.006 0.000 1.135 262 Y CB -0.009 38.456 38.460 0.007 0.000 0.970 262 Y HN 0.340 nan 8.280 nan 0.000 0.498 263 I N 0.508 121.020 120.570 -0.097 0.000 2.163 263 I HA -0.327 3.837 4.170 -0.009 0.000 0.243 263 I C 2.418 178.435 176.117 -0.167 0.000 1.085 263 I CA 1.578 62.766 61.300 -0.186 0.000 1.347 263 I CB -1.458 36.540 38.000 -0.004 0.000 1.044 263 I HN 0.390 nan 8.210 nan 0.000 0.408 264 Q N 0.467 120.218 119.800 -0.082 0.000 2.096 264 Q HA -0.137 4.198 4.340 -0.009 0.000 0.204 264 Q C 2.380 178.338 176.000 -0.069 0.000 0.982 264 Q CA 1.912 57.682 55.803 -0.056 0.000 0.850 264 Q CB -0.370 28.351 28.738 -0.028 0.000 0.901 264 Q HN 0.560 nan 8.270 nan 0.000 0.422 265 A N -0.093 122.666 122.820 -0.101 0.000 1.908 265 A HA -0.138 4.177 4.320 -0.009 0.000 0.218 265 A C 2.397 179.944 177.584 -0.061 0.000 1.181 265 A CA 1.670 53.654 52.037 -0.088 0.000 0.627 265 A CB -0.620 18.323 19.000 -0.094 0.000 0.818 265 A HN 0.231 nan 8.150 nan 0.000 0.445 266 V N 0.130 119.936 119.914 -0.181 0.000 2.358 266 V HA -0.213 3.902 4.120 -0.009 0.000 0.246 266 V C 2.505 178.573 176.094 -0.044 0.000 1.047 266 V CA 1.772 63.989 62.300 -0.138 0.000 1.035 266 V CB -0.718 30.926 31.823 -0.299 0.000 0.658 266 V HN 0.566 nan 8.190 nan 0.000 0.452 267 L N -0.233 120.958 121.223 -0.054 0.000 2.141 267 L HA -0.133 4.201 4.340 -0.009 0.000 0.209 267 L C 1.939 178.826 176.870 0.029 0.000 1.094 267 L CA 1.192 56.023 54.840 -0.014 0.000 0.763 267 L CB -0.665 41.382 42.059 -0.019 0.000 0.908 267 L HN 0.330 nan 8.230 nan 0.000 0.437 268 D N 0.057 120.492 120.400 0.058 0.000 2.378 268 D HA -0.064 4.571 4.640 -0.009 0.000 0.227 268 D C 2.087 178.534 176.300 0.245 0.000 1.012 268 D CA 0.414 54.488 54.000 0.124 0.000 0.905 268 D CB 0.020 40.883 40.800 0.104 0.000 0.895 268 D HN 0.261 nan 8.370 nan 0.000 0.532 269 R N 0.313 120.927 120.500 0.189 0.000 2.152 269 R HA -0.050 4.285 4.340 -0.009 0.000 0.232 269 R C 1.724 177.984 176.300 -0.068 0.000 1.117 269 R CA 0.820 56.944 56.100 0.040 0.000 0.981 269 R CB -0.237 30.058 30.300 -0.007 0.000 0.870 269 R HN 0.315 nan 8.270 nan 0.000 0.451 270 N N 0.362 119.063 118.700 0.002 0.000 2.192 270 N HA -0.203 4.532 4.740 -0.009 0.000 0.188 270 N C 1.237 176.740 175.510 -0.013 0.000 1.013 270 N CA 0.792 53.839 53.050 -0.005 0.000 0.863 270 N CB -0.112 38.386 38.487 0.018 0.000 0.990 270 N HN 0.019 nan 8.380 nan 0.000 0.430 271 L N 1.024 122.259 121.223 0.021 0.000 2.012 271 L HA -0.162 4.173 4.340 -0.009 0.000 0.210 271 L C 2.444 179.292 176.870 -0.037 0.000 1.073 271 L CA 1.611 56.469 54.840 0.030 0.000 0.748 271 L CB -1.043 41.085 42.059 0.116 0.000 0.891 271 L HN 0.173 nan 8.230 nan 0.000 0.431 272 A N -1.034 121.707 122.820 -0.132 0.000 1.929 272 A HA -0.142 4.172 4.320 -0.009 0.000 0.216 272 A C 2.096 179.553 177.584 -0.211 0.000 1.176 272 A CA 1.205 53.109 52.037 -0.221 0.000 0.628 272 A CB -0.431 18.285 19.000 -0.473 0.000 0.816 272 A HN 0.534 nan 8.150 nan 0.000 0.444 273 E N 0.159 120.252 120.200 -0.178 0.000 2.427 273 E HA -0.073 4.272 4.350 -0.009 0.000 0.196 273 E C 0.875 177.428 176.600 -0.079 0.000 1.028 273 E CA 0.193 56.518 56.400 -0.125 0.000 0.864 273 E CB -0.154 29.498 29.700 -0.080 0.000 0.813 273 E HN 0.442 nan 8.360 nan 0.000 0.514 274 N N 1.054 119.717 118.700 -0.061 0.000 2.520 274 N HA -0.063 4.672 4.740 -0.009 0.000 0.185 274 N C 1.589 177.091 175.510 -0.015 0.000 1.068 274 N CA 0.531 53.576 53.050 -0.008 0.000 0.911 274 N CB -0.006 38.483 38.487 0.004 0.000 0.961 274 N HN 0.277 nan 8.380 nan 0.000 0.446 275 I N 0.299 120.798 120.570 -0.118 0.000 2.208 275 I HA -0.241 3.924 4.170 -0.009 0.000 0.245 275 I C 1.378 177.458 176.117 -0.063 0.000 1.097 275 I CA 1.218 62.420 61.300 -0.163 0.000 1.363 275 I CB -0.192 37.539 38.000 -0.449 0.000 1.051 275 I HN 0.126 nan 8.210 nan 0.000 0.413 276 S N -0.480 115.175 115.700 -0.074 0.000 2.583 276 S HA 0.185 4.650 4.470 -0.009 0.000 0.239 276 S C 1.441 176.173 174.600 0.220 0.000 0.966 276 S CA -0.548 57.705 58.200 0.088 0.000 0.973 276 S CB 0.276 63.512 63.200 0.060 0.000 0.794 276 S HN 0.209 nan 8.310 nan 0.000 0.463 277 R N 1.230 121.859 120.500 0.216 0.000 2.062 277 R HA 0.286 4.621 4.340 -0.009 0.000 0.229 277 R C 0.425 176.969 176.300 0.407 0.000 1.128 277 R CA 1.144 57.413 56.100 0.282 0.000 0.960 277 R CB -0.223 30.209 30.300 0.219 0.000 0.855 277 R HN 0.400 nan 8.270 nan 0.000 0.432 278 V N 0.197 120.306 119.914 0.324 0.000 3.012 278 V HA 0.375 4.489 4.120 -0.009 0.000 0.307 278 V C -1.605 174.435 176.094 -0.091 0.000 1.166 278 V CA -1.382 61.032 62.300 0.191 0.000 0.974 278 V CB 1.819 33.689 31.823 0.078 0.000 1.040 278 V HN 0.155 nan 8.190 nan 0.000 0.428 279 L N 6.248 127.201 121.223 -0.450 0.000 2.367 279 L HA 0.491 4.826 4.340 -0.009 0.000 0.275 279 L C -0.905 175.793 176.870 -0.286 0.000 1.129 279 L CA 0.398 54.758 54.840 -0.799 0.000 0.839 279 L CB 0.598 42.139 42.059 -0.863 0.000 1.133 279 L HN 0.683 nan 8.230 nan 0.000 0.453 280 Y N 6.775 126.980 120.300 -0.159 0.000 2.496 280 Y HA 0.208 4.752 4.550 -0.009 0.000 0.334 280 Y C -1.405 174.493 175.900 -0.005 0.000 1.080 280 Y CA -1.329 56.759 58.100 -0.019 0.000 1.355 280 Y CB 0.405 38.881 38.460 0.026 0.000 1.193 280 Y HN 0.561 nan 8.280 nan 0.000 0.523 281 P HA 0.004 nan 4.420 nan 0.000 0.249 281 P C -0.859 176.581 177.300 0.234 0.000 1.593 281 P CA 0.183 63.394 63.100 0.184 0.000 0.896 281 P CB 0.070 31.970 31.700 0.333 0.000 1.581 282 N N 1.167 120.013 118.700 0.243 0.000 2.456 282 N HA 0.164 4.899 4.740 -0.009 0.000 0.288 282 N C -0.569 175.093 175.510 0.253 0.000 1.059 282 N CA 0.078 53.295 53.050 0.279 0.000 0.946 282 N CB 1.462 40.157 38.487 0.346 0.000 1.150 282 N HN 0.115 nan 8.380 nan 0.000 0.479 283 D N 1.747 122.321 120.400 0.291 0.000 2.425 283 D HA 0.141 4.776 4.640 -0.009 0.000 0.240 283 D C -0.343 176.160 176.300 0.338 0.000 1.080 283 D CA -0.182 53.982 54.000 0.273 0.000 0.836 283 D CB 0.418 41.371 40.800 0.255 0.000 1.125 283 D HN 0.392 nan 8.370 nan 0.000 0.525 284 N N 2.846 121.712 118.700 0.277 0.000 2.740 284 N HA -0.254 4.480 4.740 -0.009 0.000 0.248 284 N C -1.188 174.545 175.510 0.371 0.000 1.062 284 N CA 0.670 53.872 53.050 0.253 0.000 0.704 284 N CB -1.006 37.586 38.487 0.175 0.000 0.968 284 N HN 0.409 nan 8.380 nan 0.000 0.547 285 F N 0.727 120.776 119.950 0.165 0.000 2.605 285 F HA 0.408 4.930 4.527 -0.009 0.000 0.320 285 F C -1.188 174.693 175.800 0.136 0.000 1.159 285 F CA -1.080 56.997 58.000 0.128 0.000 0.999 285 F CB 0.870 39.907 39.000 0.062 0.000 1.258 285 F HN -0.010 nan 8.300 nan 0.000 0.464 286 F N 6.080 125.589 119.950 -0.735 0.000 2.411 286 F HA 0.445 4.967 4.527 -0.009 0.000 0.350 286 F C -0.355 174.994 175.800 -0.751 0.000 1.114 286 F CA -0.134 57.506 58.000 -0.601 0.000 1.135 286 F CB 0.686 39.383 39.000 -0.505 0.000 1.120 286 F HN 0.595 nan 8.300 nan 0.000 0.495 287 E N 4.520 124.104 120.200 -1.026 0.000 2.186 287 E HA 0.292 4.636 4.350 -0.009 0.000 0.255 287 E C -0.135 175.743 176.600 -1.203 0.000 0.881 287 E CA -0.728 55.168 56.400 -0.841 0.000 0.752 287 E CB 1.201 30.779 29.700 -0.202 0.000 1.176 287 E HN 0.915 nan 8.360 nan 0.000 0.421 288 G N 5.332 113.278 108.800 -1.424 0.000 3.197 288 G HA2 0.023 3.978 3.960 -0.009 0.000 0.257 288 G HA3 0.023 3.978 3.960 -0.009 0.000 0.257 288 G C -0.028 174.777 174.900 -0.158 0.000 0.835 288 G CA -0.186 44.276 45.100 -1.062 0.000 2.001 288 G HN 0.208 nan 8.290 nan 0.000 0.625 289 K N 0.442 120.830 120.400 -0.020 0.000 2.110 289 K HA 0.193 4.507 4.320 -0.009 0.000 0.263 289 K C 0.981 177.730 176.600 0.248 0.000 0.975 289 K CA -0.677 55.692 56.287 0.136 0.000 0.895 289 K CB 2.192 34.771 32.500 0.131 0.000 1.060 289 K HN 0.431 nan 8.250 nan 0.000 0.448 290 E N 1.511 121.823 120.200 0.186 0.000 2.085 290 E HA -0.222 4.123 4.350 -0.009 0.000 0.194 290 E C 1.565 178.204 176.600 0.065 0.000 0.994 290 E CA 1.107 57.570 56.400 0.105 0.000 0.801 290 E CB 0.145 29.909 29.700 0.107 0.000 0.743 290 E HN 0.400 nan 8.360 nan 0.000 0.453 291 L N 1.365 122.668 121.223 0.133 0.000 2.042 291 L HA -0.194 4.140 4.340 -0.009 0.000 0.210 291 L C 2.471 179.445 176.870 0.173 0.000 1.076 291 L CA 1.904 56.840 54.840 0.160 0.000 0.749 291 L CB -0.560 41.663 42.059 0.273 0.000 0.893 291 L HN 0.020 nan 8.230 nan 0.000 0.432 292 R N -0.571 119.987 120.500 0.096 0.000 2.081 292 R HA -0.165 4.169 4.340 -0.009 0.000 0.235 292 R C 2.112 178.457 176.300 0.075 0.000 1.131 292 R CA 1.913 57.989 56.100 -0.040 0.000 0.960 292 R CB -1.062 29.009 30.300 -0.382 0.000 0.856 292 R HN 0.421 nan 8.270 nan 0.000 0.436 293 L N 0.835 122.011 121.223 -0.078 0.000 2.083 293 L HA -0.058 4.277 4.340 -0.009 0.000 0.209 293 L C 1.684 178.499 176.870 -0.091 0.000 1.083 293 L CA 1.875 56.456 54.840 -0.430 0.000 0.752 293 L CB -0.373 41.139 42.059 -0.912 0.000 0.899 293 L HN 0.159 nan 8.230 nan 0.000 0.433 294 K N -0.990 119.412 120.400 0.003 0.000 2.057 294 K HA -0.179 4.135 4.320 -0.009 0.000 0.207 294 K C 2.065 178.838 176.600 0.288 0.000 1.049 294 K CA 1.706 58.070 56.287 0.129 0.000 0.931 294 K CB -0.171 32.223 32.500 -0.177 0.000 0.714 294 K HN 0.513 nan 8.250 nan 0.000 0.440 295 Q N 0.669 120.602 119.800 0.223 0.000 2.084 295 Q HA -0.181 4.154 4.340 -0.009 0.000 0.202 295 Q C 1.926 178.130 176.000 0.339 0.000 0.978 295 Q CA 1.370 57.362 55.803 0.315 0.000 0.844 295 Q CB -0.026 28.921 28.738 0.349 0.000 0.898 295 Q HN 0.386 nan 8.270 nan 0.000 0.426 296 E N -0.152 120.198 120.200 0.251 0.000 2.077 296 E HA -0.207 4.138 4.350 -0.009 0.000 0.193 296 E C 1.706 178.418 176.600 0.186 0.000 0.989 296 E CA 1.009 57.537 56.400 0.214 0.000 0.800 296 E CB -0.101 29.701 29.700 0.170 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.287 120.631 120.300 0.073 0.000 2.286 297 Y HA -0.174 4.371 4.550 -0.009 0.000 0.293 297 Y C 1.934 177.856 175.900 0.036 0.000 1.124 297 Y CA 0.857 58.944 58.100 -0.021 0.000 1.178 297 Y CB -0.358 38.042 38.460 -0.100 0.000 1.010 297 Y HN 0.007 nan 8.280 nan 0.000 0.536 298 F N -0.211 119.726 119.950 -0.021 0.000 2.065 298 F HA -0.256 4.266 4.527 -0.009 0.000 0.298 298 F C 2.464 178.112 175.800 -0.254 0.000 1.112 298 F CA 2.044 59.987 58.000 -0.095 0.000 1.212 298 F CB -1.099 38.002 39.000 0.169 0.000 0.975 298 F HN -0.056 nan 8.300 nan 0.000 0.476 299 V N -0.453 119.403 119.914 -0.096 0.000 2.358 299 V HA -0.210 3.905 4.120 -0.009 0.000 0.246 299 V C 2.217 178.137 176.094 -0.290 0.000 1.047 299 V CA 1.964 64.166 62.300 -0.162 0.000 1.035 299 V CB -0.383 31.547 31.823 0.178 0.000 0.658 299 V HN 0.264 nan 8.190 nan 0.000 0.452 300 V N 0.388 120.149 119.914 -0.256 0.000 2.307 300 V HA -0.169 3.945 4.120 -0.009 0.000 0.245 300 V C 2.791 178.614 176.094 -0.452 0.000 1.045 300 V CA 2.056 64.193 62.300 -0.273 0.000 1.024 300 V CB -1.080 30.650 31.823 -0.155 0.000 0.651 300 V HN 0.640 nan 8.190 nan 0.000 0.449 301 A N -0.055 122.326 122.820 -0.731 0.000 1.877 301 A HA -0.116 4.199 4.320 -0.009 0.000 0.216 301 A C 2.411 179.602 177.584 -0.655 0.000 1.186 301 A CA 2.155 53.749 52.037 -0.738 0.000 0.620 301 A CB -0.831 17.497 19.000 -1.120 0.000 0.822 301 A HN 0.559 nan 8.150 nan 0.000 0.443 302 A N -1.111 121.152 122.820 -0.927 0.000 1.898 302 A HA -0.058 4.257 4.320 -0.009 0.000 0.216 302 A C 2.315 179.329 177.584 -0.952 0.000 1.181 302 A CA 2.268 53.555 52.037 -1.250 0.000 0.620 302 A CB -1.278 16.323 19.000 -2.333 0.000 0.819 302 A HN 0.430 nan 8.150 nan 0.000 0.442 303 T N 0.519 114.647 114.554 -0.711 0.000 2.708 303 T HA -0.107 4.237 4.350 -0.009 0.000 0.266 303 T C 1.837 176.233 174.700 -0.505 0.000 1.037 303 T CA 1.491 63.290 62.100 -0.501 0.000 1.146 303 T CB -0.410 68.175 68.868 -0.472 0.000 0.865 303 T HN 0.340 nan 8.240 nan 0.000 0.435 304 L N 0.709 121.695 121.223 -0.396 0.000 2.042 304 L HA -0.180 4.154 4.340 -0.009 0.000 0.210 304 L C 2.933 179.677 176.870 -0.209 0.000 1.076 304 L CA 1.451 56.123 54.840 -0.281 0.000 0.749 304 L CB -0.525 41.411 42.059 -0.205 0.000 0.893 304 L HN 0.364 nan 8.230 nan 0.000 0.432 305 Q N -0.665 119.005 119.800 -0.216 0.000 2.084 305 Q HA -0.247 4.088 4.340 -0.009 0.000 0.202 305 Q C 1.792 177.746 176.000 -0.076 0.000 0.978 305 Q CA 1.696 57.425 55.803 -0.123 0.000 0.844 305 Q CB -0.131 28.521 28.738 -0.143 0.000 0.898 305 Q HN 0.399 nan 8.270 nan 0.000 0.426 306 D N 0.639 120.978 120.400 -0.101 0.000 2.117 306 D HA -0.109 4.525 4.640 -0.009 0.000 0.197 306 D C 1.669 177.913 176.300 -0.092 0.000 0.987 306 D CA 0.907 54.905 54.000 -0.003 0.000 0.829 306 D CB -0.030 40.883 40.800 0.188 0.000 0.961 306 D HN 0.165 nan 8.370 nan 0.000 0.460 307 I N 0.147 120.557 120.570 -0.266 0.000 2.179 307 I HA -0.232 3.933 4.170 -0.009 0.000 0.242 307 I C 2.318 178.439 176.117 0.006 0.000 1.088 307 I CA 0.726 61.814 61.300 -0.354 0.000 1.357 307 I CB -0.142 37.494 38.000 -0.607 0.000 1.051 307 I HN 0.063 nan 8.210 nan 0.000 0.409 308 I N 0.366 120.997 120.570 0.102 0.000 2.252 308 I HA -0.284 3.881 4.170 -0.009 0.000 0.245 308 I C 2.780 179.058 176.117 0.269 0.000 1.102 308 I CA 1.122 62.605 61.300 0.305 0.000 1.385 308 I CB -0.425 37.709 38.000 0.223 0.000 1.064 308 I HN 0.216 nan 8.210 nan 0.000 0.414 309 R N 1.442 122.023 120.500 0.135 0.000 2.083 309 R HA -0.237 4.098 4.340 -0.009 0.000 0.237 309 R C 2.492 178.850 176.300 0.097 0.000 1.137 309 R CA 1.851 58.012 56.100 0.102 0.000 0.951 309 R CB -0.327 30.008 30.300 0.058 0.000 0.851 309 R HN 0.187 nan 8.270 nan 0.000 0.434 310 R N -0.637 119.915 120.500 0.088 0.000 2.096 310 R HA -0.176 4.159 4.340 -0.009 0.000 0.235 310 R C 2.145 178.531 176.300 0.143 0.000 1.127 310 R CA 1.750 57.903 56.100 0.089 0.000 0.968 310 R CB -0.414 29.926 30.300 0.067 0.000 0.861 310 R HN 0.330 nan 8.270 nan 0.000 0.440 311 F N 1.640 121.621 119.950 0.052 0.000 2.075 311 F HA -0.114 4.408 4.527 -0.009 0.000 0.297 311 F C 1.643 177.453 175.800 0.017 0.000 1.113 311 F CA 1.578 59.604 58.000 0.043 0.000 1.218 311 F CB -0.136 38.940 39.000 0.126 0.000 0.984 311 F HN -0.138 nan 8.300 nan 0.000 0.472 312 K N -0.007 120.358 120.400 -0.059 0.000 2.442 312 K HA -0.118 4.197 4.320 -0.009 0.000 0.199 312 K C 2.038 178.526 176.600 -0.187 0.000 1.044 312 K CA 1.147 57.313 56.287 -0.200 0.000 0.941 312 K CB -0.200 32.301 32.500 0.002 0.000 0.759 312 K HN 0.289 nan 8.250 nan 0.000 0.472 313 S N 0.058 115.692 115.700 -0.110 0.000 2.370 313 S HA 0.008 4.473 4.470 -0.009 0.000 0.214 313 S C 0.609 175.160 174.600 -0.081 0.000 1.033 313 S CA -0.155 58.026 58.200 -0.032 0.000 0.941 313 S CB 0.073 63.321 63.200 0.080 0.000 0.886 313 S HN 0.230 nan 8.310 nan 0.000 0.521 325 N N 0.582 119.261 118.700 -0.035 0.000 2.707 325 N HA 0.488 5.222 4.740 -0.009 0.000 0.235 325 N C -0.467 175.120 175.510 0.130 0.000 1.028 325 N CA -0.491 52.614 53.050 0.091 0.000 0.906 325 N CB 0.348 38.880 38.487 0.075 0.000 1.131 325 N HN 0.092 nan 8.380 nan 0.000 0.509 326 F N 0.739 120.800 119.950 0.184 0.000 2.664 326 F HA -0.093 4.429 4.527 -0.009 0.000 0.297 326 F C 1.408 177.281 175.800 0.122 0.000 1.164 326 F CA 0.591 58.683 58.000 0.154 0.000 1.472 326 F CB 0.026 38.988 39.000 -0.063 0.000 1.108 326 F HN 0.479 nan 8.300 nan 0.000 0.596 327 D N 0.315 120.858 120.400 0.238 0.000 2.182 327 D HA -0.182 4.453 4.640 -0.009 0.000 0.201 327 D C 2.181 178.574 176.300 0.155 0.000 0.986 327 D CA 1.357 55.453 54.000 0.159 0.000 0.847 327 D CB -0.156 40.713 40.800 0.115 0.000 0.942 327 D HN 0.258 nan 8.370 nan 0.000 0.467 328 A N -0.822 122.115 122.820 0.195 0.000 2.251 328 A HA 0.095 4.410 4.320 -0.009 0.000 0.209 328 A C 1.568 179.260 177.584 0.180 0.000 1.187 328 A CA -0.258 51.889 52.037 0.184 0.000 0.823 328 A CB -0.778 18.341 19.000 0.197 0.000 0.846 328 A HN 0.228 nan 8.150 nan 0.000 0.486 329 F N 1.820 121.729 119.950 -0.069 0.000 2.091 329 F HA -0.119 4.403 4.527 -0.009 0.000 0.299 329 F C -0.816 174.868 175.800 -0.193 0.000 1.103 329 F CA 2.346 60.092 58.000 -0.424 0.000 1.228 329 F CB -0.555 38.226 39.000 -0.365 0.000 0.984 329 F HN 0.198 nan 8.300 nan 0.000 0.477 330 P HA -0.100 nan 4.420 nan 0.000 0.226 330 P C 0.737 177.997 177.300 -0.066 0.000 1.153 330 P CA 1.478 64.558 63.100 -0.033 0.000 0.777 330 P CB -0.036 31.668 31.700 0.006 0.000 0.794 331 D N -0.963 119.416 120.400 -0.034 0.000 2.323 331 D HA -0.016 4.619 4.640 -0.009 0.000 0.209 331 D C 1.464 177.750 176.300 -0.023 0.000 0.973 331 D CA 0.882 54.875 54.000 -0.011 0.000 0.874 331 D CB 0.143 40.958 40.800 0.025 0.000 0.930 331 D HN 0.152 nan 8.370 nan 0.000 0.521 332 K N 0.140 120.501 120.400 -0.064 0.000 2.373 332 K HA 0.212 4.527 4.320 -0.009 0.000 0.200 332 K C -0.015 176.493 176.600 -0.153 0.000 1.054 332 K CA 0.058 56.319 56.287 -0.044 0.000 1.065 332 K CB 2.353 34.936 32.500 0.138 0.000 0.886 332 K HN -0.059 nan 8.250 nan 0.000 0.546 333 V N 0.841 120.574 119.914 -0.302 0.000 2.760 333 V HA 0.640 4.755 4.120 -0.009 0.000 0.309 333 V C -1.166 174.841 176.094 -0.145 0.000 1.077 333 V CA -1.275 60.850 62.300 -0.292 0.000 0.910 333 V CB 1.918 33.287 31.823 -0.757 0.000 1.008 333 V HN 0.106 nan 8.190 nan 0.000 0.424 334 A N 5.453 128.241 122.820 -0.053 0.000 2.359 334 A HA 0.922 5.237 4.320 -0.009 0.000 0.303 334 A C -1.068 176.543 177.584 0.046 0.000 1.066 334 A CA -0.433 51.605 52.037 0.002 0.000 0.730 334 A CB 1.050 19.997 19.000 -0.089 0.000 1.211 334 A HN 0.761 nan 8.150 nan 0.000 0.439 335 I N 1.896 122.543 120.570 0.129 0.000 2.382 335 I HA 0.313 4.478 4.170 -0.009 0.000 0.286 335 I C -0.374 175.842 176.117 0.164 0.000 1.002 335 I CA -0.578 60.810 61.300 0.147 0.000 1.135 335 I CB 1.991 40.062 38.000 0.119 0.000 1.288 335 I HN 0.694 nan 8.210 nan 0.000 0.448 336 Q N 6.766 126.659 119.800 0.155 0.000 2.314 336 Q HA 0.523 4.857 4.340 -0.009 0.000 0.259 336 Q C -1.361 174.644 176.000 0.008 0.000 0.951 336 Q CA -0.268 55.654 55.803 0.199 0.000 0.909 336 Q CB 1.398 30.366 28.738 0.384 0.000 1.236 336 Q HN 0.566 nan 8.270 nan 0.000 0.444 337 L N 3.738 125.006 121.223 0.075 0.000 2.257 337 L HA 0.410 4.744 4.340 -0.009 0.000 0.290 337 L C 0.052 176.954 176.870 0.052 0.000 1.044 337 L CA -0.767 54.105 54.840 0.055 0.000 0.810 337 L CB 0.767 42.909 42.059 0.138 0.000 1.193 337 L HN 0.565 nan 8.230 nan 0.000 0.425 338 N N 3.495 122.143 118.700 -0.087 0.000 2.508 338 N HA 0.093 4.828 4.740 -0.009 0.000 0.253 338 N C -0.176 175.339 175.510 0.008 0.000 1.145 338 N CA 0.482 53.525 53.050 -0.013 0.000 0.973 338 N CB -0.138 38.248 38.487 -0.169 0.000 1.305 338 N HN 0.706 nan 8.380 nan 0.000 0.506 339 D N -0.549 119.974 120.400 0.205 0.000 3.856 339 D HA -0.254 4.381 4.640 -0.009 0.000 0.276 339 D C 0.449 176.865 176.300 0.192 0.000 2.073 339 D CA 1.956 56.074 54.000 0.197 0.000 1.163 339 D CB -0.511 40.163 40.800 -0.211 0.000 0.937 339 D HN 0.473 nan 8.370 nan 0.000 1.140 340 T N -3.163 111.439 114.554 0.079 0.000 3.129 340 T HA 0.113 4.457 4.350 -0.009 0.000 0.251 340 T C 1.493 176.281 174.700 0.146 0.000 1.117 340 T CA 1.393 63.523 62.100 0.050 0.000 1.034 340 T CB -0.508 68.358 68.868 -0.003 0.000 0.968 340 T HN 0.522 nan 8.240 nan 0.000 0.526 341 H N 2.620 121.780 119.070 0.150 0.000 2.390 341 H HA -0.019 4.532 4.556 -0.009 0.000 0.298 341 H C -0.778 174.640 175.328 0.150 0.000 1.106 341 H CA 1.122 57.273 56.048 0.172 0.000 1.297 341 H CB -0.742 29.120 29.762 0.167 0.000 1.375 341 H HN 0.453 nan 8.280 nan 0.000 0.509 342 P HA 0.092 nan 4.420 nan 0.000 0.266 342 P C 0.749 178.095 177.300 0.076 0.000 1.561 342 P CA 0.376 63.557 63.100 0.136 0.000 1.089 342 P CB 0.511 32.279 31.700 0.115 0.000 1.534 343 S N 0.036 115.776 115.700 0.067 0.000 2.440 343 S HA -0.136 4.328 4.470 -0.009 0.000 0.238 343 S C 1.782 176.383 174.600 0.002 0.000 1.010 343 S CA 0.812 59.011 58.200 -0.002 0.000 0.972 343 S CB -1.492 61.684 63.200 -0.040 0.000 0.774 343 S HN 0.155 nan 8.310 nan 0.000 0.501 344 L N 0.924 122.162 121.223 0.025 0.000 2.549 344 L HA 0.047 4.382 4.340 -0.009 0.000 0.229 344 L C 2.867 179.768 176.870 0.051 0.000 1.158 344 L CA 0.572 55.427 54.840 0.025 0.000 0.842 344 L CB -0.730 41.342 42.059 0.021 0.000 0.952 344 L HN 0.476 nan 8.230 nan 0.000 0.452 345 A N 0.490 123.323 122.820 0.021 0.000 1.972 345 A HA -0.168 4.147 4.320 -0.009 0.000 0.219 345 A C 2.184 179.764 177.584 -0.007 0.000 1.169 345 A CA 1.321 53.357 52.037 -0.003 0.000 0.635 345 A CB -0.393 18.598 19.000 -0.014 0.000 0.810 345 A HN 0.371 nan 8.150 nan 0.000 0.446 346 I N 0.317 120.884 120.570 -0.005 0.000 2.133 346 I HA -0.140 4.025 4.170 -0.009 0.000 0.238 346 I C -0.310 175.819 176.117 0.019 0.000 1.074 346 I CA 1.504 62.797 61.300 -0.013 0.000 1.342 346 I CB -1.061 36.934 38.000 -0.009 0.000 1.053 346 I HN 0.253 nan 8.210 nan 0.000 0.404 347 P HA -0.162 nan 4.420 nan 0.000 0.222 347 P C 1.260 178.576 177.300 0.025 0.000 1.153 347 P CA 1.472 64.603 63.100 0.052 0.000 0.798 347 P CB 0.055 31.808 31.700 0.088 0.000 0.796 348 E N 0.381 120.665 120.200 0.140 0.000 2.072 348 E HA -0.146 4.198 4.350 -0.009 0.000 0.191 348 E C 1.938 178.521 176.600 -0.028 0.000 0.985 348 E CA 0.654 57.155 56.400 0.168 0.000 0.801 348 E CB -1.204 28.642 29.700 0.243 0.000 0.750 348 E HN 0.007 nan 8.360 nan 0.000 0.452 349 L N -0.068 121.108 121.223 -0.079 0.000 2.056 349 L HA -0.078 4.257 4.340 -0.009 0.000 0.207 349 L C 2.067 178.789 176.870 -0.246 0.000 1.078 349 L CA 1.713 56.446 54.840 -0.178 0.000 0.749 349 L CB -0.530 41.424 42.059 -0.174 0.000 0.901 349 L HN 0.225 nan 8.230 nan 0.000 0.433 350 M N -0.759 118.711 119.600 -0.217 0.000 2.117 350 M HA -0.201 4.274 4.480 -0.009 0.000 0.262 350 M C 2.433 178.558 176.300 -0.293 0.000 1.065 350 M CA 1.525 56.640 55.300 -0.307 0.000 1.114 350 M CB -1.184 31.219 32.600 -0.327 0.000 1.361 350 M HN 0.336 nan 8.290 nan 0.000 0.408 351 R N 0.042 120.398 120.500 -0.239 0.000 2.083 351 R HA -0.137 4.198 4.340 -0.009 0.000 0.237 351 R C 2.049 178.241 176.300 -0.180 0.000 1.137 351 R CA 1.731 57.694 56.100 -0.228 0.000 0.951 351 R CB -0.199 29.913 30.300 -0.313 0.000 0.851 351 R HN 0.208 nan 8.270 nan 0.000 0.434 352 V N 1.459 121.266 119.914 -0.179 0.000 2.295 352 V HA -0.252 3.863 4.120 -0.009 0.000 0.246 352 V C 2.418 178.350 176.094 -0.269 0.000 1.049 352 V CA 1.729 63.920 62.300 -0.182 0.000 1.024 352 V CB -0.417 31.295 31.823 -0.184 0.000 0.648 352 V HN 0.342 nan 8.190 nan 0.000 0.447 353 L N -0.614 120.384 121.223 -0.376 0.000 2.056 353 L HA -0.128 4.207 4.340 -0.009 0.000 0.207 353 L C 2.423 179.112 176.870 -0.301 0.000 1.078 353 L CA 1.160 55.716 54.840 -0.473 0.000 0.749 353 L CB -0.664 41.068 42.059 -0.545 0.000 0.901 353 L HN 0.204 nan 8.230 nan 0.000 0.433 354 V N -0.369 119.403 119.914 -0.237 0.000 2.273 354 V HA -0.205 3.910 4.120 -0.009 0.000 0.242 354 V C 2.021 178.071 176.094 -0.073 0.000 1.035 354 V CA 1.805 64.028 62.300 -0.129 0.000 1.013 354 V CB -0.409 31.358 31.823 -0.092 0.000 0.652 354 V HN 0.358 nan 8.190 nan 0.000 0.452 355 D N -0.041 120.313 120.400 -0.078 0.000 2.149 355 D HA -0.030 4.605 4.640 -0.009 0.000 0.201 355 D C 2.028 178.303 176.300 -0.042 0.000 0.972 355 D CA 1.191 55.164 54.000 -0.045 0.000 0.835 355 D CB 0.014 40.786 40.800 -0.047 0.000 0.966 355 D HN 0.335 nan 8.370 nan 0.000 0.476 356 L N 0.120 121.303 121.223 -0.067 0.000 2.286 356 L HA 0.111 4.446 4.340 -0.009 0.000 0.203 356 L C 1.843 178.687 176.870 -0.044 0.000 1.068 356 L CA 0.508 55.320 54.840 -0.047 0.000 0.811 356 L CB 0.046 42.078 42.059 -0.045 0.000 0.989 356 L HN -0.184 nan 8.230 nan 0.000 0.467 357 E N 0.310 120.451 120.200 -0.098 0.000 2.447 357 E HA 0.035 4.380 4.350 -0.009 0.000 0.195 357 E C 0.107 176.682 176.600 -0.042 0.000 1.028 357 E CA -0.028 56.328 56.400 -0.073 0.000 0.876 357 E CB 0.329 29.884 29.700 -0.240 0.000 0.885 357 E HN 0.172 nan 8.360 nan 0.000 0.500 358 R N -0.200 120.267 120.500 -0.055 0.000 3.532 358 R HA -0.183 4.152 4.340 -0.009 0.000 0.284 358 R C -0.427 175.862 176.300 -0.018 0.000 1.140 358 R CA 0.229 56.317 56.100 -0.021 0.000 0.768 358 R CB -2.834 27.472 30.300 0.009 0.000 1.252 358 R HN 0.078 nan 8.270 nan 0.000 0.454 359 L N 1.986 123.170 121.223 -0.065 0.000 2.418 359 L HA 0.190 4.525 4.340 -0.009 0.000 0.265 359 L C 1.394 178.257 176.870 -0.011 0.000 1.143 359 L CA 0.076 54.888 54.840 -0.047 0.000 0.809 359 L CB 0.463 42.448 42.059 -0.123 0.000 1.124 359 L HN 0.136 nan 8.230 nan 0.000 0.456 360 D N 0.735 121.153 120.400 0.030 0.000 2.362 360 D HA -0.142 4.493 4.640 -0.009 0.000 0.242 360 D C 0.958 177.323 176.300 0.108 0.000 1.132 360 D CA -0.485 53.566 54.000 0.085 0.000 0.907 360 D CB 0.716 41.572 40.800 0.093 0.000 1.195 360 D HN 0.603 nan 8.370 nan 0.000 0.429 361 W N 2.131 123.433 121.300 0.003 0.000 2.301 361 W HA -0.249 4.406 4.660 -0.009 0.000 0.325 361 W C 1.165 177.725 176.519 0.068 0.000 1.250 361 W CA 2.029 59.382 57.345 0.013 0.000 1.261 361 W CB -0.374 29.073 29.460 -0.021 0.000 1.157 361 W HN 0.470 nan 8.180 nan 0.000 0.473 362 D N 0.322 120.935 120.400 0.355 0.000 2.158 362 D HA -0.227 4.408 4.640 -0.009 0.000 0.197 362 D C 1.854 178.258 176.300 0.173 0.000 0.995 362 D CA 2.122 56.296 54.000 0.290 0.000 0.846 362 D CB -0.390 40.548 40.800 0.229 0.000 0.941 362 D HN 0.114 nan 8.370 nan 0.000 0.456 363 K N 1.286 121.744 120.400 0.097 0.000 2.025 363 K HA -0.001 4.313 4.320 -0.009 0.000 0.207 363 K C 1.896 178.485 176.600 -0.018 0.000 1.049 363 K CA 1.503 57.818 56.287 0.048 0.000 0.933 363 K CB -0.610 31.913 32.500 0.037 0.000 0.714 363 K HN -0.007 nan 8.250 nan 0.000 0.438 364 A N 0.682 123.444 122.820 -0.096 0.000 1.908 364 A HA -0.196 4.119 4.320 -0.009 0.000 0.218 364 A C 2.271 179.754 177.584 -0.170 0.000 1.181 364 A CA 1.574 53.481 52.037 -0.215 0.000 0.627 364 A CB -1.255 17.543 19.000 -0.337 0.000 0.818 364 A HN 0.706 nan 8.150 nan 0.000 0.445 365 W N 0.583 121.668 121.300 -0.359 0.000 2.358 365 W HA -0.159 4.496 4.660 -0.008 0.000 0.303 365 W C 1.978 178.437 176.519 -0.101 0.000 1.208 365 W CA 1.780 58.970 57.345 -0.259 0.000 1.274 365 W CB -0.095 29.262 29.460 -0.171 0.000 1.138 365 W HN 0.601 nan 8.180 nan 0.000 0.515 366 E N 0.078 120.276 120.200 -0.003 0.000 2.051 366 E HA -0.221 4.124 4.350 -0.009 0.000 0.192 366 E C 2.054 178.578 176.600 -0.127 0.000 0.991 366 E CA 1.867 58.229 56.400 -0.064 0.000 0.799 366 E CB -0.270 29.448 29.700 0.030 0.000 0.748 366 E HN 0.066 nan 8.360 nan 0.000 0.449 367 V N 0.680 120.531 119.914 -0.104 0.000 2.295 367 V HA -0.257 3.858 4.120 -0.009 0.000 0.246 367 V C 2.407 178.430 176.094 -0.119 0.000 1.049 367 V CA 2.181 64.434 62.300 -0.077 0.000 1.024 367 V CB -0.805 30.958 31.823 -0.099 0.000 0.648 367 V HN 0.363 nan 8.190 nan 0.000 0.447 368 T N 0.155 114.567 114.554 -0.236 0.000 2.684 368 T HA -0.191 4.154 4.350 -0.009 0.000 0.267 368 T C 1.952 176.472 174.700 -0.300 0.000 1.036 368 T CA 1.828 63.764 62.100 -0.273 0.000 1.148 368 T CB -0.321 68.329 68.868 -0.365 0.000 0.863 368 T HN 0.277 nan 8.240 nan 0.000 0.436 369 V N 1.474 121.095 119.914 -0.488 0.000 2.343 369 V HA -0.183 3.931 4.120 -0.009 0.000 0.247 369 V C 2.320 178.368 176.094 -0.077 0.000 1.051 369 V CA 1.658 63.730 62.300 -0.380 0.000 1.036 369 V CB -0.507 31.022 31.823 -0.491 0.000 0.654 369 V HN 0.491 nan 8.190 nan 0.000 0.451 370 K N -0.527 119.809 120.400 -0.106 0.000 2.365 370 K HA -0.065 4.250 4.320 -0.009 0.000 0.199 370 K C 2.040 178.597 176.600 -0.072 0.000 1.045 370 K CA 1.414 57.614 56.287 -0.145 0.000 0.962 370 K CB -0.171 32.250 32.500 -0.131 0.000 0.759 370 K HN 0.464 nan 8.250 nan 0.000 0.469 371 T N 0.218 114.800 114.554 0.046 0.000 3.010 371 T HA 0.032 4.377 4.350 -0.009 0.000 0.252 371 T C 0.895 175.708 174.700 0.188 0.000 1.047 371 T CA 0.329 62.499 62.100 0.116 0.000 1.140 371 T CB 0.124 69.101 68.868 0.182 0.000 0.885 371 T HN 0.170 nan 8.240 nan 0.000 0.464 372 C N 2.488 121.879 119.300 0.152 0.000 2.401 372 C HA 0.877 5.332 4.460 -0.009 0.000 0.365 372 C C 0.581 175.638 174.990 0.112 0.000 1.250 372 C CA -1.289 57.802 59.018 0.123 0.000 2.131 372 C CB 0.011 27.758 27.740 0.013 0.000 2.445 372 C HN 0.580 nan 8.230 nan 0.000 0.550 373 A N 2.125 125.004 122.820 0.099 0.000 2.449 373 A HA 0.743 5.058 4.320 -0.009 0.000 0.302 373 A C -1.476 176.188 177.584 0.134 0.000 1.048 373 A CA -0.414 51.627 52.037 0.007 0.000 0.708 373 A CB 0.993 20.032 19.000 0.065 0.000 1.274 373 A HN 0.949 nan 8.150 nan 0.000 0.410 374 Y N 1.267 121.523 120.300 -0.074 0.000 2.376 374 Y HA 0.652 5.197 4.550 -0.008 0.000 0.340 374 Y C -0.518 175.380 175.900 -0.004 0.000 0.965 374 Y CA -0.300 57.776 58.100 -0.040 0.000 1.078 374 Y CB 2.049 40.446 38.460 -0.107 0.000 1.193 374 Y HN 0.555 nan 8.280 nan 0.000 0.452 375 T N 6.644 121.005 114.554 -0.322 0.000 2.770 375 T HA 0.190 4.535 4.350 -0.009 0.000 0.283 375 T C -0.818 173.445 174.700 -0.729 0.000 0.988 375 T CA -0.825 61.015 62.100 -0.434 0.000 0.957 375 T CB 0.420 69.265 68.868 -0.037 0.000 0.930 375 T HN 0.671 nan 8.240 nan 0.000 0.443 376 N N 1.989 120.237 118.700 -0.753 0.000 2.479 376 N HA 0.128 4.862 4.740 -0.009 0.000 0.285 376 N C -0.164 175.227 175.510 -0.198 0.000 1.075 376 N CA -0.328 52.518 53.050 -0.341 0.000 0.967 376 N CB 0.759 39.214 38.487 -0.053 0.000 1.137 376 N HN 0.689 nan 8.380 nan 0.000 0.472 377 H N 1.230 120.323 119.070 0.037 0.000 2.662 377 H HA 0.199 4.750 4.556 -0.009 0.000 0.268 377 H C -0.355 174.892 175.328 -0.136 0.000 1.152 377 H CA -0.195 55.822 56.048 -0.051 0.000 1.072 377 H CB 0.918 30.657 29.762 -0.038 0.000 1.660 377 H HN 0.532 nan 8.280 nan 0.000 0.584 378 T N 0.307 114.880 114.554 0.031 0.000 2.907 378 T HA 0.186 4.531 4.350 -0.009 0.000 0.344 378 T C 0.191 174.905 174.700 0.023 0.000 1.675 378 T CA -0.351 61.724 62.100 -0.042 0.000 1.076 378 T CB 1.187 70.042 68.868 -0.022 0.000 1.483 378 T HN -0.003 nan 8.240 nan 0.000 0.487 379 V N 1.494 121.383 119.914 -0.042 0.000 3.432 379 V HA 0.563 4.678 4.120 -0.009 0.000 0.298 379 V C 0.520 176.578 176.094 -0.061 0.000 1.464 379 V CA -0.103 62.163 62.300 -0.056 0.000 1.046 379 V CB -0.222 31.570 31.823 -0.051 0.000 0.887 379 V HN 0.694 nan 8.190 nan 0.000 0.441 380 L N 3.444 124.624 121.223 -0.073 0.000 2.477 380 L HA 0.241 4.576 4.340 -0.009 0.000 0.272 380 L C -0.487 176.388 176.870 0.008 0.000 1.157 380 L CA -1.078 53.746 54.840 -0.025 0.000 0.889 380 L CB 0.868 42.897 42.059 -0.049 0.000 1.158 380 L HN 0.115 nan 8.230 nan 0.000 0.473 381 P HA -0.235 nan 4.420 nan 0.000 0.216 381 P C 0.908 178.216 177.300 0.014 0.000 1.150 381 P CA 1.385 64.492 63.100 0.012 0.000 0.843 381 P CB 0.069 31.781 31.700 0.021 0.000 0.787 382 E N 0.163 120.401 120.200 0.064 0.000 2.478 382 E HA -0.029 4.316 4.350 -0.009 0.000 0.198 382 E C 1.589 178.171 176.600 -0.030 0.000 1.046 382 E CA 0.997 57.424 56.400 0.045 0.000 0.870 382 E CB -0.611 29.222 29.700 0.222 0.000 0.818 382 E HN 0.226 nan 8.360 nan 0.000 0.527 383 A N 1.114 123.950 122.820 0.027 0.000 2.169 383 A HA 0.260 4.575 4.320 -0.009 0.000 0.210 383 A C 1.251 178.826 177.584 -0.015 0.000 1.168 383 A CA -0.350 51.713 52.037 0.043 0.000 0.813 383 A CB 0.024 19.074 19.000 0.083 0.000 0.861 383 A HN 0.135 nan 8.150 nan 0.000 0.481 384 L N 1.531 122.702 121.223 -0.086 0.000 2.380 384 L HA 0.160 4.494 4.340 -0.009 0.000 0.273 384 L C -0.088 176.464 176.870 -0.530 0.000 1.138 384 L CA -0.194 54.537 54.840 -0.181 0.000 0.832 384 L CB 0.639 42.625 42.059 -0.122 0.000 1.124 384 L HN 0.325 nan 8.230 nan 0.000 0.454 385 E N 3.945 123.734 120.200 -0.685 0.000 2.223 385 E HA 0.276 4.621 4.350 -0.009 0.000 0.282 385 E C -0.710 175.282 176.600 -1.013 0.000 1.046 385 E CA -0.283 55.254 56.400 -1.439 0.000 0.857 385 E CB 0.816 30.002 29.700 -0.857 0.000 1.055 385 E HN 0.410 nan 8.360 nan 0.000 0.409 386 R N 3.598 123.378 120.500 -1.199 0.000 2.545 386 R HA 0.201 4.536 4.340 -0.009 0.000 0.289 386 R C -1.328 174.801 176.300 -0.286 0.000 1.327 386 R CA -0.550 55.267 56.100 -0.472 0.000 1.040 386 R CB 0.781 30.924 30.300 -0.261 0.000 1.176 386 R HN 0.455 nan 8.270 nan 0.000 0.518 387 W N 4.066 125.322 121.300 -0.073 0.000 2.287 387 W HA 0.295 4.949 4.660 -0.009 0.000 0.313 387 W C -1.941 174.552 176.519 -0.043 0.000 1.267 387 W CA -2.153 55.207 57.345 0.024 0.000 1.201 387 W CB 0.709 30.161 29.460 -0.012 0.000 1.196 387 W HN 0.235 nan 8.180 nan 0.000 0.536 388 P HA -0.074 nan 4.420 nan 0.000 0.267 388 P C 0.778 178.009 177.300 -0.115 0.000 1.205 388 P CA 0.181 63.248 63.100 -0.055 0.000 0.765 388 P CB 0.781 32.287 31.700 -0.323 0.000 0.828 389 V N 3.297 123.197 119.914 -0.022 0.000 2.392 389 V HA -0.286 3.829 4.120 -0.009 0.000 0.249 389 V C 2.104 178.205 176.094 0.011 0.000 1.059 389 V CA 2.505 64.814 62.300 0.016 0.000 1.051 389 V CB -1.718 30.177 31.823 0.121 0.000 0.658 389 V HN 0.761 nan 8.190 nan 0.000 0.455 390 H N -1.022 118.109 119.070 0.103 0.000 2.456 390 H HA -0.099 4.451 4.556 -0.009 0.000 0.296 390 H C 1.996 177.377 175.328 0.088 0.000 1.079 390 H CA 1.663 57.767 56.048 0.093 0.000 1.322 390 H CB -0.551 29.266 29.762 0.092 0.000 1.388 390 H HN 0.371 nan 8.280 nan 0.000 0.538 391 L N -0.111 120.987 121.223 -0.210 0.000 2.044 391 L HA -0.057 4.278 4.340 -0.009 0.000 0.205 391 L C 2.339 179.175 176.870 -0.056 0.000 1.075 391 L CA 0.915 55.725 54.840 -0.049 0.000 0.747 391 L CB -0.203 41.810 42.059 -0.076 0.000 0.903 391 L HN 0.317 nan 8.230 nan 0.000 0.435 392 L N -0.587 120.571 121.223 -0.107 0.000 2.083 392 L HA -0.235 4.099 4.340 -0.009 0.000 0.209 392 L C 2.478 179.291 176.870 -0.095 0.000 1.083 392 L CA 1.113 55.860 54.840 -0.155 0.000 0.752 392 L CB -0.460 41.493 42.059 -0.177 0.000 0.899 392 L HN 0.336 nan 8.230 nan 0.000 0.433 393 E N -0.292 119.896 120.200 -0.020 0.000 2.085 393 E HA -0.217 4.128 4.350 -0.009 0.000 0.194 393 E C 1.921 178.564 176.600 0.072 0.000 0.994 393 E CA 1.928 58.349 56.400 0.035 0.000 0.801 393 E CB 0.142 29.902 29.700 0.100 0.000 0.743 393 E HN 0.430 nan 8.360 nan 0.000 0.453 394 T N 0.648 115.269 114.554 0.112 0.000 2.894 394 T HA -0.059 4.286 4.350 -0.009 0.000 0.258 394 T C 1.693 176.518 174.700 0.209 0.000 1.043 394 T CA 0.561 62.779 62.100 0.196 0.000 1.141 394 T CB -0.077 68.939 68.868 0.248 0.000 0.873 394 T HN 0.060 nan 8.240 nan 0.000 0.449 395 L N 0.143 121.390 121.223 0.040 0.000 2.127 395 L HA 0.350 4.685 4.340 -0.009 0.000 0.203 395 L C 0.377 177.182 176.870 -0.108 0.000 1.080 395 L CA 1.588 56.332 54.840 -0.160 0.000 0.768 395 L CB 0.028 41.962 42.059 -0.208 0.000 0.924 395 L HN 0.170 nan 8.230 nan 0.000 0.444 396 L N 0.832 121.951 121.223 -0.173 0.000 2.551 396 L HA 0.288 4.623 4.340 -0.009 0.000 0.248 396 L C -1.644 175.041 176.870 -0.309 0.000 1.509 396 L CA -0.963 53.680 54.840 -0.329 0.000 0.842 396 L CB 0.897 42.604 42.059 -0.587 0.000 1.087 396 L HN -0.055 nan 8.230 nan 0.000 0.512 397 P HA -0.236 nan 4.420 nan 0.000 0.216 397 P C 1.461 178.569 177.300 -0.320 0.000 1.153 397 P CA 1.351 64.332 63.100 -0.198 0.000 0.858 397 P CB 0.390 32.052 31.700 -0.063 0.000 0.789 398 R N -0.397 119.727 120.500 -0.627 0.000 2.075 398 R HA -0.137 4.197 4.340 -0.009 0.000 0.232 398 R C 2.398 178.397 176.300 -0.503 0.000 1.126 398 R CA 1.544 57.290 56.100 -0.589 0.000 0.963 398 R CB -1.401 28.387 30.300 -0.853 0.000 0.858 398 R HN 0.222 nan 8.270 nan 0.000 0.435 399 H N -0.161 118.592 119.070 -0.529 0.000 2.387 399 H HA -0.072 4.479 4.556 -0.009 0.000 0.299 399 H C 1.788 176.940 175.328 -0.294 0.000 1.090 399 H CA 1.669 57.491 56.048 -0.376 0.000 1.332 399 H CB -0.102 29.397 29.762 -0.438 0.000 1.386 399 H HN 0.104 nan 8.280 nan 0.000 0.516 400 L N 0.569 121.665 121.223 -0.212 0.000 2.046 400 L HA -0.240 4.095 4.340 -0.009 0.000 0.208 400 L C 1.834 178.507 176.870 -0.329 0.000 1.077 400 L CA 1.630 56.277 54.840 -0.321 0.000 0.747 400 L CB -0.305 41.588 42.059 -0.276 0.000 0.896 400 L HN 0.465 nan 8.230 nan 0.000 0.432 401 Q N -0.261 119.461 119.800 -0.130 0.000 2.084 401 Q HA -0.234 4.101 4.340 -0.009 0.000 0.202 401 Q C 2.171 178.191 176.000 0.033 0.000 0.978 401 Q CA 1.633 57.456 55.803 0.033 0.000 0.844 401 Q CB -0.122 28.639 28.738 0.039 0.000 0.898 401 Q HN 0.561 nan 8.270 nan 0.000 0.426 402 I N 0.583 121.149 120.570 -0.007 0.000 2.286 402 I HA -0.271 3.894 4.170 -0.009 0.000 0.248 402 I C 2.210 178.400 176.117 0.122 0.000 1.115 402 I CA 1.066 62.443 61.300 0.129 0.000 1.392 402 I CB -0.208 37.813 38.000 0.036 0.000 1.065 402 I HN 0.202 nan 8.210 nan 0.000 0.418 403 I N -0.453 120.103 120.570 -0.022 0.000 2.315 403 I HA -0.305 3.860 4.170 -0.009 0.000 0.248 403 I C 2.422 178.546 176.117 0.011 0.000 1.117 403 I CA 1.398 62.673 61.300 -0.042 0.000 1.404 403 I CB -0.373 37.529 38.000 -0.164 0.000 1.071 403 I HN 0.148 nan 8.210 nan 0.000 0.419 404 Y N 0.903 121.208 120.300 0.007 0.000 2.181 404 Y HA -0.265 4.280 4.550 -0.009 0.000 0.288 404 Y C 2.599 178.464 175.900 -0.060 0.000 1.146 404 Y CA 1.517 59.607 58.100 -0.016 0.000 1.164 404 Y CB -0.770 37.673 38.460 -0.028 0.000 0.982 404 Y HN 0.190 nan 8.280 nan 0.000 0.515 405 E N 0.474 120.710 120.200 0.060 0.000 2.077 405 E HA -0.154 4.191 4.350 -0.009 0.000 0.193 405 E C 2.050 178.552 176.600 -0.163 0.000 0.989 405 E CA 1.396 57.684 56.400 -0.186 0.000 0.800 405 E CB -0.568 28.846 29.700 -0.476 0.000 0.746 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 I N 0.649 121.226 120.570 0.011 0.000 2.163 406 I HA -0.291 3.874 4.170 -0.009 0.000 0.243 406 I C 2.307 178.424 176.117 0.001 0.000 1.085 406 I CA 1.467 62.736 61.300 -0.051 0.000 1.347 406 I CB -0.424 37.567 38.000 -0.014 0.000 1.044 406 I HN 0.227 nan 8.210 nan 0.000 0.408 407 N N 0.739 119.490 118.700 0.084 0.000 2.120 407 N HA -0.268 4.467 4.740 -0.009 0.000 0.188 407 N C 1.867 177.462 175.510 0.142 0.000 1.024 407 N CA 1.557 54.710 53.050 0.171 0.000 0.852 407 N CB -0.134 38.470 38.487 0.195 0.000 1.003 407 N HN 0.288 nan 8.380 nan 0.000 0.424 408 Q N -0.063 119.765 119.800 0.048 0.000 2.061 408 Q HA -0.120 4.215 4.340 -0.009 0.000 0.204 408 Q C 2.006 177.985 176.000 -0.034 0.000 0.984 408 Q CA 1.566 57.359 55.803 -0.016 0.000 0.846 408 Q CB 0.014 28.700 28.738 -0.086 0.000 0.902 408 Q HN 0.395 nan 8.270 nan 0.000 0.421 409 R N -0.798 119.658 120.500 -0.074 0.000 2.115 409 R HA -0.112 4.223 4.340 -0.009 0.000 0.230 409 R C 2.168 178.489 176.300 0.035 0.000 1.111 409 R CA 1.117 57.170 56.100 -0.077 0.000 0.976 409 R CB -0.345 29.849 30.300 -0.177 0.000 0.870 409 R HN 0.280 nan 8.270 nan 0.000 0.445 410 F N 1.719 121.642 119.950 -0.046 0.000 2.113 410 F HA -0.084 4.438 4.527 -0.009 0.000 0.297 410 F C 1.882 177.707 175.800 0.042 0.000 1.103 410 F CA 1.289 59.313 58.000 0.040 0.000 1.248 410 F CB -0.236 38.823 39.000 0.098 0.000 0.999 410 F HN -0.136 nan 8.300 nan 0.000 0.475 411 L N 0.022 121.242 121.223 -0.005 0.000 2.191 411 L HA -0.232 4.103 4.340 -0.009 0.000 0.212 411 L C 1.998 178.794 176.870 -0.124 0.000 1.103 411 L CA 1.506 56.280 54.840 -0.110 0.000 0.769 411 L CB -0.914 41.151 42.059 0.010 0.000 0.908 411 L HN 0.260 nan 8.230 nan 0.000 0.438 412 N N -0.204 118.445 118.700 -0.086 0.000 2.244 412 N HA -0.162 4.573 4.740 -0.009 0.000 0.183 412 N C 1.958 177.410 175.510 -0.097 0.000 1.016 412 N CA 0.687 53.690 53.050 -0.078 0.000 0.866 412 N CB 0.028 38.477 38.487 -0.064 0.000 0.980 412 N HN 0.262 nan 8.380 nan 0.000 0.430 413 R N 0.482 120.904 120.500 -0.130 0.000 2.075 413 R HA -0.022 4.312 4.340 -0.009 0.000 0.232 413 R C 2.122 178.314 176.300 -0.180 0.000 1.126 413 R CA 0.737 56.756 56.100 -0.135 0.000 0.963 413 R CB -0.093 30.137 30.300 -0.115 0.000 0.858 413 R HN 0.053 nan 8.270 nan 0.000 0.435 414 V N 0.632 120.384 119.914 -0.269 0.000 2.358 414 V HA -0.213 3.901 4.120 -0.009 0.000 0.246 414 V C 2.343 178.426 176.094 -0.019 0.000 1.047 414 V CA 1.934 64.141 62.300 -0.154 0.000 1.035 414 V CB -0.642 31.021 31.823 -0.266 0.000 0.658 414 V HN 0.417 nan 8.190 nan 0.000 0.452 415 A N 0.024 122.807 122.820 -0.061 0.000 1.933 415 A HA -0.106 4.209 4.320 -0.009 0.000 0.218 415 A C 2.373 179.930 177.584 -0.046 0.000 1.175 415 A CA 2.057 54.076 52.037 -0.029 0.000 0.628 415 A CB -0.652 18.323 19.000 -0.042 0.000 0.814 415 A HN 0.574 nan 8.150 nan 0.000 0.444 416 A N -0.561 122.211 122.820 -0.081 0.000 1.968 416 A HA 0.307 4.621 4.320 -0.009 0.000 0.217 416 A C 2.375 179.861 177.584 -0.163 0.000 1.169 416 A CA 1.671 53.649 52.037 -0.098 0.000 0.638 416 A CB -0.664 18.283 19.000 -0.088 0.000 0.812 416 A HN 0.943 nan 8.150 nan 0.000 0.446 417 A N -1.521 121.151 122.820 -0.247 0.000 1.975 417 A HA 0.363 4.678 4.320 -0.009 0.000 0.215 417 A C 0.454 177.557 177.584 -0.800 0.000 1.170 417 A CA 0.551 52.259 52.037 -0.548 0.000 0.656 417 A CB -0.170 18.411 19.000 -0.699 0.000 0.821 417 A HN 0.423 nan 8.150 nan 0.000 0.449 418 F N -0.097 119.805 119.950 -0.080 0.000 2.584 418 F HA 0.348 4.870 4.527 -0.009 0.000 0.328 418 F C -2.775 172.987 175.800 -0.063 0.000 1.407 418 F CA -2.909 55.049 58.000 -0.070 0.000 1.145 418 F CB 0.648 39.598 39.000 -0.083 0.000 1.440 418 F HN -0.075 nan 8.300 nan 0.000 0.580 419 P HA 0.134 nan 4.420 nan 0.000 0.261 419 P C 1.032 178.351 177.300 0.031 0.000 1.183 419 P CA 1.246 64.355 63.100 0.016 0.000 0.761 419 P CB 0.709 32.400 31.700 -0.014 0.000 0.785 420 G N 2.737 111.548 108.800 0.019 0.000 2.205 420 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.261 420 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.261 420 G C 0.385 175.294 174.900 0.015 0.000 0.980 420 G CA 0.090 45.198 45.100 0.013 0.000 0.632 420 G HN 0.608 nan 8.290 nan 0.000 0.533 421 D N 1.458 121.877 120.400 0.031 0.000 2.551 421 D HA 0.367 5.001 4.640 -0.009 0.000 0.223 421 D C 2.106 178.398 176.300 -0.014 0.000 1.144 421 D CA 0.418 54.422 54.000 0.006 0.000 1.025 421 D CB 0.349 41.153 40.800 0.007 0.000 1.085 421 D HN 0.619 nan 8.370 nan 0.000 0.506 422 V N 0.723 120.630 119.914 -0.012 0.000 2.515 422 V HA -0.146 3.969 4.120 -0.009 0.000 0.250 422 V C 1.772 177.855 176.094 -0.019 0.000 1.058 422 V CA 1.521 63.813 62.300 -0.013 0.000 1.064 422 V CB -0.418 31.400 31.823 -0.008 0.000 0.675 422 V HN 0.207 nan 8.190 nan 0.000 0.461 423 D N 0.515 120.899 120.400 -0.026 0.000 2.149 423 D HA -0.162 4.472 4.640 -0.009 0.000 0.201 423 D C 2.345 178.617 176.300 -0.046 0.000 0.972 423 D CA 1.385 55.369 54.000 -0.027 0.000 0.835 423 D CB -0.235 40.548 40.800 -0.028 0.000 0.966 423 D HN 0.451 nan 8.370 nan 0.000 0.476 424 R N -0.033 120.415 120.500 -0.087 0.000 2.091 424 R HA -0.107 4.227 4.340 -0.009 0.000 0.238 424 R C 2.263 178.496 176.300 -0.112 0.000 1.136 424 R CA 0.921 56.932 56.100 -0.148 0.000 0.959 424 R CB -0.294 29.854 30.300 -0.253 0.000 0.856 424 R HN 0.257 nan 8.270 nan 0.000 0.437 425 L N 0.667 121.849 121.223 -0.068 0.000 2.012 425 L HA -0.221 4.114 4.340 -0.009 0.000 0.210 425 L C 2.707 179.583 176.870 0.009 0.000 1.073 425 L CA 1.968 56.786 54.840 -0.036 0.000 0.748 425 L CB -0.530 41.517 42.059 -0.019 0.000 0.891 425 L HN 0.294 nan 8.230 nan 0.000 0.431 426 R N 0.117 120.627 120.500 0.017 0.000 2.148 426 R HA -0.098 4.236 4.340 -0.009 0.000 0.223 426 R C 2.101 178.452 176.300 0.085 0.000 1.088 426 R CA 1.028 57.160 56.100 0.053 0.000 0.985 426 R CB -0.553 29.772 30.300 0.041 0.000 0.880 426 R HN 0.216 nan 8.270 nan 0.000 0.451 427 R N 0.078 120.610 120.500 0.053 0.000 2.090 427 R HA 0.144 4.479 4.340 -0.009 0.000 0.228 427 R C 1.995 178.379 176.300 0.140 0.000 1.110 427 R CA 1.672 57.827 56.100 0.092 0.000 0.973 427 R CB -0.170 30.144 30.300 0.024 0.000 0.869 427 R HN 0.322 nan 8.270 nan 0.000 0.440 428 M N 0.207 119.814 119.600 0.012 0.000 2.541 428 M HA 0.045 4.520 4.480 -0.009 0.000 0.252 428 M C 0.893 177.357 176.300 0.272 0.000 1.125 428 M CA 0.012 55.277 55.300 -0.058 0.000 1.091 428 M CB 0.412 32.817 32.600 -0.324 0.000 1.420 428 M HN -0.081 nan 8.290 nan 0.000 0.486 429 S N 1.043 116.908 115.700 0.275 0.000 2.558 429 S HA 0.035 4.500 4.470 -0.009 0.000 0.287 429 S C 1.107 175.965 174.600 0.431 0.000 1.321 429 S CA -0.179 58.211 58.200 0.316 0.000 1.048 429 S CB 0.570 63.897 63.200 0.212 0.000 0.844 429 S HN 0.378 nan 8.310 nan 0.000 0.512 430 L N 3.791 125.218 121.223 0.340 0.000 2.395 430 L HA 0.129 4.463 4.340 -0.009 0.000 0.218 430 L C 0.199 177.177 176.870 0.180 0.000 1.130 430 L CA 0.231 55.230 54.840 0.265 0.000 0.826 430 L CB -0.313 41.842 42.059 0.161 0.000 0.941 430 L HN 0.393 nan 8.230 nan 0.000 0.451 431 V N 0.798 120.832 119.914 0.199 0.000 2.370 431 V HA 0.182 4.297 4.120 -0.009 0.000 0.279 431 V C 0.045 176.227 176.094 0.147 0.000 1.029 431 V CA -0.612 61.791 62.300 0.173 0.000 0.870 431 V CB 1.422 33.383 31.823 0.229 0.000 0.984 431 V HN 0.166 nan 8.190 nan 0.000 0.451 432 E N 3.209 123.475 120.200 0.110 0.000 2.174 432 E HA 0.423 4.767 4.350 -0.009 0.000 0.282 432 E C -0.679 175.973 176.600 0.087 0.000 0.992 432 E CA -0.537 55.918 56.400 0.093 0.000 0.803 432 E CB 2.005 31.739 29.700 0.058 0.000 1.090 432 E HN 0.611 nan 8.360 nan 0.000 0.396 433 E N 0.893 121.141 120.200 0.080 0.000 2.280 433 E HA 0.651 4.995 4.350 -0.009 0.000 0.264 433 E C 0.113 176.750 176.600 0.061 0.000 1.064 433 E CA 0.261 56.703 56.400 0.070 0.000 0.900 433 E CB 1.521 31.257 29.700 0.059 0.000 1.123 433 E HN 0.637 nan 8.360 nan 0.000 0.418 434 G N -0.113 108.722 108.800 0.057 0.000 2.291 434 G HA2 0.239 4.193 3.960 -0.009 0.000 0.249 434 G HA3 0.239 4.193 3.960 -0.009 0.000 0.249 434 G C 0.500 175.433 174.900 0.055 0.000 1.340 434 G CA 0.299 45.430 45.100 0.051 0.000 1.017 434 G HN 0.650 nan 8.290 nan 0.000 0.470 435 A N -0.842 122.009 122.820 0.052 0.000 1.873 435 A HA 0.237 4.552 4.320 -0.009 0.000 0.219 435 A C 1.791 179.417 177.584 0.071 0.000 1.269 435 A CA 4.516 56.585 52.037 0.054 0.000 0.671 435 A CB -1.304 17.727 19.000 0.052 0.000 0.842 435 A HN 2.419 nan 8.150 nan 0.000 0.460 436 V N -3.136 116.831 119.914 0.089 0.000 2.604 436 V HA 0.574 4.688 4.120 -0.009 0.000 0.305 436 V C -0.575 175.588 176.094 0.115 0.000 1.043 436 V CA -1.354 61.021 62.300 0.125 0.000 0.888 436 V CB 1.635 33.564 31.823 0.177 0.000 0.995 436 V HN 0.392 nan 8.190 nan 0.000 0.429 437 K N 4.281 124.756 120.400 0.125 0.000 2.382 437 K HA 0.486 4.801 4.320 -0.009 0.000 0.275 437 K C -0.379 176.285 176.600 0.106 0.000 1.009 437 K CA -0.176 56.181 56.287 0.115 0.000 0.970 437 K CB 0.852 33.434 32.500 0.136 0.000 0.934 437 K HN 0.735 nan 8.250 nan 0.000 0.479 438 R N 1.413 121.965 120.500 0.086 0.000 2.867 438 R HA 0.488 4.822 4.340 -0.009 0.000 0.268 438 R C -0.610 175.725 176.300 0.057 0.000 1.014 438 R CA -1.049 55.090 56.100 0.066 0.000 0.946 438 R CB 1.307 31.630 30.300 0.037 0.000 1.208 438 R HN 0.371 nan 8.270 nan 0.000 0.477 439 I N 1.905 122.505 120.570 0.049 0.000 2.354 439 I HA 0.159 4.324 4.170 -0.009 0.000 0.292 439 I C -0.218 175.880 176.117 -0.032 0.000 0.989 439 I CA -0.740 60.576 61.300 0.027 0.000 1.188 439 I CB 1.244 39.260 38.000 0.026 0.000 1.342 439 I HN 0.506 nan 8.210 nan 0.000 0.457 440 N N 7.186 125.836 118.700 -0.084 0.000 2.415 440 N HA 0.087 4.822 4.740 -0.009 0.000 0.250 440 N C 0.845 176.245 175.510 -0.183 0.000 1.127 440 N CA -0.333 52.582 53.050 -0.226 0.000 0.945 440 N CB 0.943 39.136 38.487 -0.490 0.000 1.196 440 N HN 0.378 nan 8.380 nan 0.000 0.499 441 M N 2.399 121.901 119.600 -0.163 0.000 2.279 441 M HA -0.078 4.397 4.480 -0.009 0.000 0.264 441 M C 1.925 178.084 176.300 -0.235 0.000 1.062 441 M CA 0.753 55.974 55.300 -0.131 0.000 1.099 441 M CB -1.552 31.016 32.600 -0.053 0.000 1.394 441 M HN 0.598 nan 8.290 nan 0.000 0.426 442 A N -0.515 122.162 122.820 -0.237 0.000 1.930 442 A HA -0.166 4.149 4.320 -0.009 0.000 0.217 442 A C 1.977 179.323 177.584 -0.397 0.000 1.175 442 A CA 1.418 53.281 52.037 -0.290 0.000 0.627 442 A CB -1.108 17.943 19.000 0.085 0.000 0.815 442 A HN 0.601 nan 8.150 nan 0.000 0.443 443 H N -1.054 117.785 119.070 -0.386 0.000 2.389 443 H HA -0.018 4.533 4.556 -0.009 0.000 0.299 443 H C 2.114 177.192 175.328 -0.416 0.000 1.081 443 H CA 0.911 56.671 56.048 -0.480 0.000 1.345 443 H CB -0.043 29.665 29.762 -0.089 0.000 1.393 443 H HN 0.373 nan 8.280 nan 0.000 0.520 444 L N 0.403 121.530 121.223 -0.160 0.000 2.017 444 L HA -0.225 4.110 4.340 -0.009 0.000 0.208 444 L C 2.196 178.922 176.870 -0.240 0.000 1.073 444 L CA 1.309 56.059 54.840 -0.150 0.000 0.745 444 L CB -0.387 41.614 42.059 -0.098 0.000 0.894 444 L HN 0.446 nan 8.230 nan 0.000 0.432 445 C N -0.015 119.039 119.300 -0.410 0.000 2.425 445 C HA -0.156 4.299 4.460 -0.009 0.000 0.277 445 C C 2.665 177.385 174.990 -0.450 0.000 1.280 445 C CA 0.523 59.219 59.018 -0.537 0.000 1.744 445 C CB -0.735 26.307 27.740 -1.163 0.000 1.989 445 C HN 0.512 nan 8.230 nan 0.000 0.491 446 I N 1.356 121.610 120.570 -0.526 0.000 2.252 446 I HA -0.180 3.984 4.170 -0.009 0.000 0.245 446 I C 2.759 178.710 176.117 -0.276 0.000 1.102 446 I CA 1.593 62.632 61.300 -0.434 0.000 1.385 446 I CB -0.562 37.020 38.000 -0.696 0.000 1.064 446 I HN 0.258 nan 8.210 nan 0.000 0.414 447 A N 0.634 123.257 122.820 -0.328 0.000 1.902 447 A HA -0.097 4.218 4.320 -0.009 0.000 0.217 447 A C 2.212 179.830 177.584 0.056 0.000 1.181 447 A CA 1.862 53.759 52.037 -0.234 0.000 0.623 447 A CB -1.173 17.506 19.000 -0.535 0.000 0.818 447 A HN 0.474 nan 8.150 nan 0.000 0.443 448 G N -1.082 107.690 108.800 -0.046 0.000 3.284 448 G HA2 0.414 4.368 3.960 -0.009 0.000 0.236 448 G HA3 0.414 4.368 3.960 -0.009 0.000 0.236 448 G C 0.095 174.820 174.900 -0.291 0.000 1.158 448 G CA 0.486 45.427 45.100 -0.265 0.000 0.774 448 G HN 0.348 nan 8.290 nan 0.000 0.545 449 S N -0.434 115.154 115.700 -0.188 0.000 2.536 449 S HA 0.334 4.799 4.470 -0.009 0.000 0.298 449 S C 0.679 175.220 174.600 -0.099 0.000 1.083 449 S CA -0.720 57.400 58.200 -0.133 0.000 0.995 449 S CB 1.295 64.424 63.200 -0.119 0.000 1.058 449 S HN 0.504 nan 8.310 nan 0.000 0.488 450 H N -0.183 118.844 119.070 -0.072 0.000 2.548 450 H HA 0.525 5.076 4.556 -0.009 0.000 0.265 450 H C 0.097 175.401 175.328 -0.040 0.000 0.969 450 H CA 0.210 56.240 56.048 -0.031 0.000 1.155 450 H CB 0.147 29.910 29.762 0.002 0.000 1.394 450 H HN 0.511 nan 8.280 nan 0.000 0.570 451 A N 0.916 123.411 122.820 -0.542 0.000 2.488 451 A HA 0.562 4.877 4.320 -0.009 0.000 0.298 451 A C -1.464 175.916 177.584 -0.341 0.000 1.044 451 A CA -0.568 51.211 52.037 -0.430 0.000 0.693 451 A CB 2.224 20.937 19.000 -0.478 0.000 1.272 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 4.134 123.817 119.914 -0.386 0.000 2.525 452 V HA 0.540 4.655 4.120 -0.009 0.000 0.299 452 V C -0.831 175.095 176.094 -0.279 0.000 1.034 452 V CA -0.764 61.319 62.300 -0.361 0.000 0.863 452 V CB 1.796 33.261 31.823 -0.596 0.000 0.999 452 V HN 1.030 nan 8.190 nan 0.000 0.423 453 N N 3.078 121.633 118.700 -0.242 0.000 2.262 453 N HA 0.629 5.364 4.740 -0.009 0.000 0.295 453 N C -0.283 175.131 175.510 -0.160 0.000 1.161 453 N CA -0.371 52.575 53.050 -0.174 0.000 0.767 453 N CB 2.875 41.232 38.487 -0.217 0.000 1.499 453 N HN 0.635 nan 8.380 nan 0.000 0.476 454 G N -0.872 107.863 108.800 -0.107 0.000 2.511 454 G HA2 0.431 4.386 3.960 -0.009 0.000 0.316 454 G HA3 0.431 4.386 3.960 -0.009 0.000 0.316 454 G C 0.697 175.653 174.900 0.094 0.000 1.210 454 G CA -0.539 44.534 45.100 -0.044 0.000 0.969 454 G HN 0.634 nan 8.290 nan 0.000 0.492 455 V N -3.465 116.631 119.914 0.304 0.000 3.319 455 V HA 0.695 4.809 4.120 -0.009 0.000 0.317 455 V C 0.520 176.694 176.094 0.132 0.000 1.411 455 V CA 0.237 62.621 62.300 0.141 0.000 1.112 455 V CB -0.833 31.028 31.823 0.063 0.000 1.031 455 V HN 1.354 nan 8.190 nan 0.000 0.448 456 A N -0.082 122.824 122.820 0.144 0.000 2.594 456 A HA 0.619 4.934 4.320 -0.009 0.000 0.296 456 A C 0.672 178.301 177.584 0.075 0.000 1.056 456 A CA -0.115 51.984 52.037 0.103 0.000 0.693 456 A CB 1.178 20.229 19.000 0.084 0.000 1.278 456 A HN 0.047 nan 8.150 nan 0.000 0.408 457 R N 1.076 121.600 120.500 0.040 0.000 2.113 457 R HA -0.177 4.158 4.340 -0.009 0.000 0.244 457 R C 1.659 177.952 176.300 -0.011 0.000 1.142 457 R CA 2.369 58.470 56.100 0.002 0.000 0.953 457 R CB -0.232 30.066 30.300 -0.004 0.000 0.860 457 R HN 0.830 nan 8.270 nan 0.000 0.438 458 I N 0.202 120.775 120.570 0.004 0.000 2.315 458 I HA -0.282 3.883 4.170 -0.009 0.000 0.248 458 I C 2.322 178.442 176.117 0.005 0.000 1.117 458 I CA 1.794 63.089 61.300 -0.009 0.000 1.404 458 I CB -0.211 37.783 38.000 -0.009 0.000 1.071 458 I HN 0.350 nan 8.210 nan 0.000 0.419 459 H N 0.209 119.242 119.070 -0.061 0.000 2.326 459 H HA -0.099 4.452 4.556 -0.009 0.000 0.301 459 H C 2.247 177.528 175.328 -0.080 0.000 1.081 459 H CA 2.135 58.139 56.048 -0.073 0.000 1.334 459 H CB -0.257 29.467 29.762 -0.063 0.000 1.385 459 H HN 0.223 nan 8.280 nan 0.000 0.504 460 S N 0.327 115.891 115.700 -0.227 0.000 2.399 460 S HA -0.117 4.348 4.470 -0.009 0.000 0.231 460 S C 1.870 176.333 174.600 -0.229 0.000 1.022 460 S CA 1.178 59.220 58.200 -0.263 0.000 0.983 460 S CB -0.060 63.065 63.200 -0.125 0.000 0.803 460 S HN 0.481 nan 8.310 nan 0.000 0.480 461 E N 1.179 121.273 120.200 -0.177 0.000 2.072 461 E HA 0.025 4.369 4.350 -0.009 0.000 0.190 461 E C 2.016 178.494 176.600 -0.202 0.000 0.982 461 E CA 0.595 56.884 56.400 -0.185 0.000 0.803 461 E CB -0.349 29.276 29.700 -0.125 0.000 0.755 461 E HN 0.503 nan 8.360 nan 0.000 0.453 462 I N 1.004 121.469 120.570 -0.176 0.000 2.286 462 I HA -0.274 3.890 4.170 -0.009 0.000 0.248 462 I C 2.394 178.376 176.117 -0.224 0.000 1.115 462 I CA 0.784 61.987 61.300 -0.162 0.000 1.392 462 I CB -0.240 37.697 38.000 -0.105 0.000 1.065 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.430 121.471 121.223 -0.305 0.000 2.017 463 L HA -0.234 4.101 4.340 -0.009 0.000 0.208 463 L C 2.522 179.249 176.870 -0.240 0.000 1.073 463 L CA 1.617 56.266 54.840 -0.319 0.000 0.745 463 L CB -0.567 41.341 42.059 -0.252 0.000 0.894 463 L HN 0.199 nan 8.230 nan 0.000 0.432 464 K N -0.043 120.158 120.400 -0.332 0.000 2.155 464 K HA -0.126 4.188 4.320 -0.009 0.000 0.203 464 K C 2.021 178.432 176.600 -0.315 0.000 1.052 464 K CA 0.991 56.967 56.287 -0.519 0.000 0.948 464 K CB 0.036 31.979 32.500 -0.929 0.000 0.728 464 K HN 0.277 nan 8.250 nan 0.000 0.448 465 K N 0.001 120.265 120.400 -0.227 0.000 2.314 465 K HA -0.024 4.290 4.320 -0.009 0.000 0.198 465 K C 1.808 178.356 176.600 -0.086 0.000 1.045 465 K CA 1.289 57.497 56.287 -0.132 0.000 0.988 465 K CB 0.472 32.901 32.500 -0.117 0.000 0.783 465 K HN 0.273 nan 8.250 nan 0.000 0.484 466 T N -1.508 112.986 114.554 -0.101 0.000 2.995 466 T HA 0.104 4.448 4.350 -0.009 0.000 0.170 466 T C 1.667 176.340 174.700 -0.045 0.000 0.844 466 T CA -0.445 61.614 62.100 -0.069 0.000 1.137 466 T CB -0.384 68.434 68.868 -0.083 0.000 2.193 466 T HN -0.232 nan 8.240 nan 0.000 0.384 467 I N 1.382 121.876 120.570 -0.126 0.000 2.143 467 I HA -0.112 4.052 4.170 -0.009 0.000 0.245 467 I C 1.861 178.053 176.117 0.125 0.000 1.068 467 I CA 1.897 63.108 61.300 -0.148 0.000 1.326 467 I CB -1.476 36.211 38.000 -0.522 0.000 1.028 467 I HN 0.407 nan 8.210 nan 0.000 0.412 468 F N 0.141 120.159 119.950 0.113 0.000 2.708 468 F HA 0.165 4.687 4.527 -0.009 0.000 0.300 468 F C 1.997 177.871 175.800 0.125 0.000 1.118 468 F CA -0.501 57.633 58.000 0.224 0.000 1.307 468 F CB 0.098 39.211 39.000 0.189 0.000 0.986 468 F HN -0.015 nan 8.300 nan 0.000 0.522 469 K N 1.136 121.652 120.400 0.194 0.000 2.044 469 K HA -0.226 4.089 4.320 -0.009 0.000 0.210 469 K C 1.358 178.008 176.600 0.083 0.000 1.049 469 K CA 2.242 58.583 56.287 0.089 0.000 0.927 469 K CB -0.030 32.490 32.500 0.033 0.000 0.713 469 K HN 0.153 nan 8.250 nan 0.000 0.443 470 D N -0.168 120.249 120.400 0.027 0.000 2.123 470 D HA -0.166 4.469 4.640 -0.009 0.000 0.196 470 D C 1.831 178.018 176.300 -0.188 0.000 0.992 470 D CA 1.260 55.144 54.000 -0.194 0.000 0.833 470 D CB -0.292 40.288 40.800 -0.367 0.000 0.954 470 D HN 0.251 nan 8.370 nan 0.000 0.455 471 F N -0.127 119.890 119.950 0.112 0.000 2.186 471 F HA -0.138 4.383 4.527 -0.009 0.000 0.299 471 F C 2.347 178.295 175.800 0.247 0.000 1.090 471 F CA 0.490 58.636 58.000 0.243 0.000 1.307 471 F CB -0.695 38.503 39.000 0.331 0.000 1.019 471 F HN -0.037 nan 8.300 nan 0.000 0.489 472 Y N 1.444 121.709 120.300 -0.058 0.000 2.224 472 Y HA -0.194 4.351 4.550 -0.009 0.000 0.289 472 Y C 2.080 177.980 175.900 0.000 0.000 1.146 472 Y CA 1.606 59.505 58.100 -0.336 0.000 1.182 472 Y CB -0.629 37.463 38.460 -0.614 0.000 0.983 472 Y HN 0.153 nan 8.280 nan 0.000 0.524 473 E N -0.429 119.720 120.200 -0.084 0.000 2.150 473 E HA -0.181 4.164 4.350 -0.009 0.000 0.193 473 E C 1.999 178.660 176.600 0.101 0.000 0.985 473 E CA 1.167 57.523 56.400 -0.073 0.000 0.814 473 E CB -0.266 29.429 29.700 -0.009 0.000 0.752 473 E HN 0.435 nan 8.360 nan 0.000 0.466 474 L N 1.015 122.343 121.223 0.175 0.000 2.095 474 L HA -0.046 4.288 4.340 -0.009 0.000 0.204 474 L C 0.250 177.226 176.870 0.177 0.000 1.080 474 L CA 1.679 56.663 54.840 0.239 0.000 0.759 474 L CB 0.365 42.562 42.059 0.231 0.000 0.914 474 L HN -0.106 nan 8.230 nan 0.000 0.439 475 E N 0.058 120.366 120.200 0.180 0.000 3.386 475 E HA 0.182 4.527 4.350 -0.009 0.000 0.236 475 E C -2.008 174.578 176.600 -0.023 0.000 1.227 475 E CA -1.255 55.181 56.400 0.061 0.000 0.970 475 E CB 0.810 30.515 29.700 0.008 0.000 1.343 475 E HN 0.196 nan 8.360 nan 0.000 0.397 476 P HA -0.262 nan 4.420 nan 0.000 0.218 476 P C 1.222 178.641 177.300 0.197 0.000 1.148 476 P CA 1.470 64.530 63.100 -0.067 0.000 0.822 476 P CB -0.020 31.513 31.700 -0.279 0.000 0.784 477 H N 0.485 119.659 119.070 0.174 0.000 2.456 477 H HA 0.015 4.566 4.556 -0.009 0.000 0.296 477 H C 1.536 176.945 175.328 0.134 0.000 1.079 477 H CA 0.957 57.092 56.048 0.145 0.000 1.322 477 H CB -0.881 28.938 29.762 0.095 0.000 1.388 477 H HN 0.170 nan 8.280 nan 0.000 0.538 478 K N 0.326 120.550 120.400 -0.294 0.000 2.211 478 K HA 0.007 4.322 4.320 -0.009 0.000 0.203 478 K C -0.036 176.370 176.600 -0.323 0.000 1.050 478 K CA 0.353 56.460 56.287 -0.301 0.000 0.945 478 K CB 0.001 32.195 32.500 -0.510 0.000 0.732 478 K HN 0.109 nan 8.250 nan 0.000 0.451 479 F N 1.844 121.816 119.950 0.037 0.000 2.438 479 F HA 0.140 4.662 4.527 -0.009 0.000 0.356 479 F C 0.554 176.357 175.800 0.006 0.000 1.099 479 F CA -0.005 58.025 58.000 0.050 0.000 1.185 479 F CB 0.792 39.882 39.000 0.150 0.000 1.115 479 F HN -0.072 nan 8.300 nan 0.000 0.526 480 Q N 1.708 121.539 119.800 0.051 0.000 2.605 480 Q HA 0.376 4.711 4.340 -0.009 0.000 0.296 480 Q C -1.213 174.746 176.000 -0.069 0.000 1.056 480 Q CA -1.295 54.491 55.803 -0.029 0.000 0.778 480 Q CB 3.061 31.728 28.738 -0.119 0.000 1.497 480 Q HN 0.629 nan 8.270 nan 0.000 0.443 481 N N 0.566 119.204 118.700 -0.104 0.000 2.238 481 N HA 0.296 5.031 4.740 -0.009 0.000 0.302 481 N C -1.570 173.837 175.510 -0.172 0.000 1.072 481 N CA -0.411 52.575 53.050 -0.108 0.000 0.792 481 N CB 1.213 39.660 38.487 -0.067 0.000 1.425 481 N HN 0.292 nan 8.380 nan 0.000 0.478 482 K N 2.663 122.963 120.400 -0.166 0.000 2.723 482 K HA 0.188 4.503 4.320 -0.009 0.000 0.229 482 K C -0.971 175.630 176.600 0.002 0.000 1.022 482 K CA -0.470 55.687 56.287 -0.216 0.000 1.045 482 K CB 1.202 33.332 32.500 -0.617 0.000 1.227 482 K HN 0.554 nan 8.250 nan 0.000 0.516 483 T N 1.977 116.552 114.554 0.035 0.000 2.928 483 T HA 0.063 4.407 4.350 -0.009 0.000 0.305 483 T C 0.823 175.650 174.700 0.211 0.000 1.035 483 T CA 0.341 62.515 62.100 0.123 0.000 1.145 483 T CB 0.367 69.311 68.868 0.127 0.000 0.963 483 T HN 0.355 nan 8.240 nan 0.000 0.545 484 N N 0.408 119.255 118.700 0.245 0.000 2.297 484 N HA 0.430 5.164 4.740 -0.009 0.000 0.232 484 N C 0.451 176.149 175.510 0.313 0.000 1.311 484 N CA -0.222 53.009 53.050 0.301 0.000 0.897 484 N CB 0.390 38.992 38.487 0.191 0.000 1.137 484 N HN 0.760 nan 8.380 nan 0.000 0.449 485 G N -0.728 108.264 108.800 0.320 0.000 2.649 485 G HA2 0.589 4.544 3.960 -0.009 0.000 0.290 485 G HA3 0.589 4.544 3.960 -0.009 0.000 0.290 485 G C -1.464 173.569 174.900 0.221 0.000 1.426 485 G CA -0.735 44.538 45.100 0.288 0.000 0.794 485 G HN 0.595 nan 8.290 nan 0.000 0.483 486 I N -2.328 118.357 120.570 0.192 0.000 2.828 486 I HA 0.750 4.915 4.170 -0.009 0.000 0.302 486 I C -0.238 176.037 176.117 0.263 0.000 1.101 486 I CA -0.959 60.446 61.300 0.174 0.000 1.031 486 I CB 2.435 40.423 38.000 -0.020 0.000 1.231 486 I HN 0.505 nan 8.210 nan 0.000 0.427 487 T N 4.263 119.029 114.554 0.354 0.000 2.814 487 T HA 0.344 4.689 4.350 -0.009 0.000 0.297 487 T C -1.361 173.460 174.700 0.201 0.000 0.956 487 T CA -1.592 60.641 62.100 0.221 0.000 1.123 487 T CB 0.759 69.704 68.868 0.129 0.000 0.902 487 T HN 0.645 nan 8.240 nan 0.000 0.528 488 P HA 0.037 nan 4.420 nan 0.000 0.237 488 P C 1.046 178.312 177.300 -0.057 0.000 1.178 488 P CA 0.312 63.447 63.100 0.059 0.000 0.766 488 P CB 0.388 32.106 31.700 0.030 0.000 0.876 489 R N 0.493 120.914 120.500 -0.131 0.000 2.056 489 R HA 0.023 4.358 4.340 -0.009 0.000 0.227 489 R C 2.719 178.898 176.300 -0.202 0.000 1.149 489 R CA 1.507 57.488 56.100 -0.199 0.000 0.937 489 R CB -1.209 28.980 30.300 -0.185 0.000 0.835 489 R HN 0.043 nan 8.270 nan 0.000 0.430 490 R N -0.779 119.543 120.500 -0.297 0.000 2.075 490 R HA -0.111 4.224 4.340 -0.009 0.000 0.232 490 R C 1.021 176.935 176.300 -0.644 0.000 1.126 490 R CA 1.540 57.306 56.100 -0.557 0.000 0.963 490 R CB -0.162 29.631 30.300 -0.845 0.000 0.858 490 R HN 0.287 nan 8.270 nan 0.000 0.435 491 W N -0.058 121.199 121.300 -0.073 0.000 3.405 491 W HA 0.143 4.798 4.660 -0.010 0.000 0.300 491 W C 0.928 177.416 176.519 -0.052 0.000 1.286 491 W CA -0.650 56.650 57.345 -0.074 0.000 1.762 491 W CB 0.383 29.803 29.460 -0.067 0.000 1.087 491 W HN 0.232 nan 8.180 nan 0.000 0.703 492 L N -2.432 118.835 121.223 0.074 0.000 2.604 492 L HA 0.171 4.506 4.340 -0.009 0.000 0.150 492 L C 1.752 178.635 176.870 0.021 0.000 1.292 492 L CA 0.715 55.601 54.840 0.076 0.000 0.977 492 L CB -0.871 41.260 42.059 0.121 0.000 1.943 492 L HN -0.263 nan 8.230 nan 0.000 0.508 493 V N 1.312 121.216 119.914 -0.017 0.000 2.287 493 V HA -0.288 3.826 4.120 -0.009 0.000 0.248 493 V C 2.458 178.523 176.094 -0.049 0.000 1.053 493 V CA 2.569 64.850 62.300 -0.032 0.000 1.027 493 V CB -0.711 31.062 31.823 -0.082 0.000 0.646 493 V HN 0.522 nan 8.190 nan 0.000 0.447 494 L N 0.444 121.607 121.223 -0.100 0.000 2.023 494 L HA -0.183 4.152 4.340 -0.009 0.000 0.205 494 L C 2.486 179.289 176.870 -0.112 0.000 1.073 494 L CA 2.389 57.155 54.840 -0.124 0.000 0.745 494 L CB -0.260 41.675 42.059 -0.206 0.000 0.900 494 L HN 0.664 nan 8.230 nan 0.000 0.435 495 C N -1.767 117.458 119.300 -0.124 0.000 2.563 495 C HA 0.195 4.650 4.460 -0.009 0.000 0.268 495 C C 1.210 176.182 174.990 -0.031 0.000 1.365 495 C CA -0.304 58.661 59.018 -0.087 0.000 1.754 495 C CB -1.013 26.670 27.740 -0.095 0.000 1.932 495 C HN 0.587 nan 8.230 nan 0.000 0.536 496 N N 1.189 119.882 118.700 -0.012 0.000 2.703 496 N HA 0.267 5.002 4.740 -0.009 0.000 0.283 496 N C -1.661 173.861 175.510 0.019 0.000 1.851 496 N CA -1.560 51.497 53.050 0.011 0.000 0.826 496 N CB 0.728 39.231 38.487 0.027 0.000 1.239 496 N HN 0.265 nan 8.380 nan 0.000 0.495 497 P HA -0.082 nan 4.420 nan 0.000 0.216 497 P C 1.417 178.733 177.300 0.027 0.000 1.150 497 P CA 1.040 64.151 63.100 0.018 0.000 0.837 497 P CB 0.202 31.905 31.700 0.006 0.000 0.786 498 G N 0.538 109.349 108.800 0.018 0.000 2.440 498 G HA2 -0.255 3.700 3.960 -0.009 0.000 0.218 498 G HA3 -0.255 3.700 3.960 -0.009 0.000 0.218 498 G C 1.546 176.455 174.900 0.015 0.000 1.154 498 G CA 0.749 45.856 45.100 0.013 0.000 0.767 498 G HN 0.263 nan 8.290 nan 0.000 0.552 499 L N 1.142 122.378 121.223 0.020 0.000 2.072 499 L HA 0.321 4.655 4.340 -0.009 0.000 0.205 499 L C 3.031 179.936 176.870 0.057 0.000 1.079 499 L CA 1.917 56.770 54.840 0.020 0.000 0.752 499 L CB -0.713 41.359 42.059 0.023 0.000 0.906 499 L HN 0.216 nan 8.230 nan 0.000 0.436 500 A N -0.765 122.110 122.820 0.093 0.000 1.933 500 A HA -0.239 4.076 4.320 -0.009 0.000 0.218 500 A C 2.222 179.907 177.584 0.168 0.000 1.175 500 A CA 1.758 53.904 52.037 0.182 0.000 0.628 500 A CB -0.608 18.488 19.000 0.160 0.000 0.814 500 A HN 0.541 nan 8.150 nan 0.000 0.444 501 E N 0.788 121.045 120.200 0.096 0.000 2.028 501 E HA -0.156 4.189 4.350 -0.009 0.000 0.191 501 E C 1.865 178.505 176.600 0.067 0.000 0.988 501 E CA 1.605 58.051 56.400 0.076 0.000 0.799 501 E CB -0.526 29.200 29.700 0.043 0.000 0.755 501 E HN 0.722 nan 8.360 nan 0.000 0.447 502 I N -1.535 119.068 120.570 0.055 0.000 2.454 502 I HA -0.155 4.010 4.170 -0.009 0.000 0.254 502 I C 2.126 178.317 176.117 0.123 0.000 1.156 502 I CA 1.162 62.507 61.300 0.075 0.000 1.433 502 I CB -0.378 37.645 38.000 0.038 0.000 1.082 502 I HN 0.039 nan 8.210 nan 0.000 0.432 503 I N 1.867 122.485 120.570 0.080 0.000 2.233 503 I HA -0.142 4.023 4.170 -0.009 0.000 0.243 503 I C 3.014 179.081 176.117 -0.085 0.000 1.093 503 I CA 1.188 62.465 61.300 -0.038 0.000 1.380 503 I CB -0.437 37.426 38.000 -0.229 0.000 1.067 503 I HN 0.276 nan 8.210 nan 0.000 0.413 504 A N 0.445 123.308 122.820 0.072 0.000 1.972 504 A HA -0.224 4.091 4.320 -0.009 0.000 0.219 504 A C 2.151 179.766 177.584 0.052 0.000 1.169 504 A CA 1.559 53.692 52.037 0.160 0.000 0.635 504 A CB -0.571 18.559 19.000 0.216 0.000 0.810 504 A HN 0.427 nan 8.150 nan 0.000 0.446 505 E N -0.662 119.549 120.200 0.018 0.000 2.118 505 E HA -0.200 4.145 4.350 -0.009 0.000 0.195 505 E C 2.230 178.790 176.600 -0.067 0.000 0.992 505 E CA 1.189 57.583 56.400 -0.010 0.000 0.804 505 E CB -0.045 29.654 29.700 -0.002 0.000 0.741 505 E HN 0.495 nan 8.360 nan 0.000 0.458 506 R N 0.050 120.449 120.500 -0.169 0.000 2.128 506 R HA 0.080 4.415 4.340 -0.009 0.000 0.211 506 R C 2.271 178.483 176.300 -0.146 0.000 1.067 506 R CA 0.822 56.737 56.100 -0.309 0.000 1.010 506 R CB -0.108 29.654 30.300 -0.897 0.000 0.922 506 R HN 0.325 nan 8.270 nan 0.000 0.457 507 I N -3.090 117.416 120.570 -0.107 0.000 4.081 507 I HA 0.440 4.605 4.170 -0.009 0.000 0.333 507 I C 0.395 176.552 176.117 0.067 0.000 1.413 507 I CA 0.013 61.308 61.300 -0.009 0.000 1.110 507 I CB 0.867 38.848 38.000 -0.031 0.000 1.082 507 I HN 0.158 nan 8.210 nan 0.000 0.402 508 G N 2.319 111.170 108.800 0.084 0.000 2.660 508 G HA2 -0.204 3.750 3.960 -0.009 0.000 0.247 508 G HA3 -0.204 3.750 3.960 -0.009 0.000 0.247 508 G C -0.091 174.948 174.900 0.232 0.000 1.328 508 G CA 0.134 45.308 45.100 0.123 0.000 0.884 508 G HN 0.474 nan 8.290 nan 0.000 0.531 509 E N -0.370 119.919 120.200 0.148 0.000 2.476 509 E HA 0.103 4.448 4.350 -0.009 0.000 0.199 509 E C 1.749 178.314 176.600 -0.057 0.000 1.021 509 E CA -0.021 56.412 56.400 0.055 0.000 0.907 509 E CB 0.414 30.129 29.700 0.025 0.000 0.974 509 E HN 0.447 nan 8.360 nan 0.000 0.489 510 E N 0.847 121.081 120.200 0.057 0.000 2.209 510 E HA -0.196 4.148 4.350 -0.009 0.000 0.196 510 E C 1.728 178.332 176.600 0.006 0.000 0.993 510 E CA 1.032 57.455 56.400 0.037 0.000 0.819 510 E CB -0.065 29.677 29.700 0.071 0.000 0.745 510 E HN 0.545 nan 8.360 nan 0.000 0.477 511 Y N -0.994 119.310 120.300 0.008 0.000 2.421 511 Y HA -0.036 4.510 4.550 -0.007 0.000 0.292 511 Y C 1.992 177.867 175.900 -0.041 0.000 1.136 511 Y CA 0.568 58.664 58.100 -0.007 0.000 1.255 511 Y CB -0.833 37.627 38.460 0.001 0.000 0.991 511 Y HN -0.085 nan 8.280 nan 0.000 0.552 512 I N 0.968 121.029 120.570 -0.848 0.000 2.423 512 I HA -0.245 3.920 4.170 -0.009 0.000 0.254 512 I C 1.629 177.474 176.117 -0.454 0.000 1.151 512 I CA 1.867 62.723 61.300 -0.740 0.000 1.421 512 I CB -0.396 37.086 38.000 -0.862 0.000 1.079 512 I HN 0.499 nan 8.210 nan 0.000 0.431 513 S N -2.150 113.397 115.700 -0.255 0.000 2.749 513 S HA 0.187 4.652 4.470 -0.009 0.000 0.246 513 S C 0.111 174.690 174.600 -0.034 0.000 1.023 513 S CA -0.510 57.621 58.200 -0.116 0.000 1.012 513 S CB 0.364 63.569 63.200 0.008 0.000 0.942 513 S HN 0.283 nan 8.310 nan 0.000 0.531 514 D N 0.836 121.224 120.400 -0.020 0.000 3.118 514 D HA 0.221 4.856 4.640 -0.009 0.000 0.259 514 D C 0.656 176.998 176.300 0.069 0.000 1.292 514 D CA -0.326 53.689 54.000 0.025 0.000 0.784 514 D CB -0.123 40.698 40.800 0.036 0.000 1.413 514 D HN 0.163 nan 8.370 nan 0.000 0.583 515 L N 0.390 121.654 121.223 0.068 0.000 2.263 515 L HA -0.136 4.199 4.340 -0.009 0.000 0.216 515 L C 1.149 178.071 176.870 0.087 0.000 1.111 515 L CA 1.117 56.027 54.840 0.117 0.000 0.773 515 L CB 0.072 42.190 42.059 0.098 0.000 0.906 515 L HN 0.294 nan 8.230 nan 0.000 0.439 516 D N -0.336 120.090 120.400 0.044 0.000 2.265 516 D HA -0.210 4.425 4.640 -0.009 0.000 0.208 516 D C 2.014 178.334 176.300 0.033 0.000 0.977 516 D CA 0.900 54.911 54.000 0.018 0.000 0.871 516 D CB -0.005 40.794 40.800 -0.003 0.000 0.925 516 D HN 0.495 nan 8.370 nan 0.000 0.485 517 Q N -0.041 119.797 119.800 0.064 0.000 2.439 517 Q HA -0.034 4.301 4.340 -0.009 0.000 0.211 517 Q C 2.189 178.209 176.000 0.034 0.000 0.978 517 Q CA 0.180 56.022 55.803 0.064 0.000 0.897 517 Q CB 0.051 28.856 28.738 0.111 0.000 0.956 517 Q HN 0.384 nan 8.270 nan 0.000 0.483 518 L N -0.044 121.195 121.223 0.027 0.000 2.353 518 L HA -0.162 4.173 4.340 -0.009 0.000 0.220 518 L C 2.175 179.043 176.870 -0.004 0.000 1.133 518 L CA 0.776 55.599 54.840 -0.027 0.000 0.798 518 L CB -0.265 41.791 42.059 -0.005 0.000 0.922 518 L HN 0.191 nan 8.230 nan 0.000 0.445 519 R N 0.207 120.712 120.500 0.009 0.000 2.193 519 R HA -0.151 4.184 4.340 -0.009 0.000 0.229 519 R C 2.067 178.370 176.300 0.004 0.000 1.110 519 R CA 0.902 57.007 56.100 0.009 0.000 0.988 519 R CB -0.098 30.202 30.300 0.001 0.000 0.871 519 R HN 0.363 nan 8.270 nan 0.000 0.458 520 K N 0.548 120.951 120.400 0.004 0.000 2.280 520 K HA -0.102 4.213 4.320 -0.009 0.000 0.202 520 K C 1.771 178.398 176.600 0.044 0.000 1.047 520 K CA 0.839 57.131 56.287 0.010 0.000 0.942 520 K CB -0.045 32.470 32.500 0.025 0.000 0.739 520 K HN 0.230 nan 8.250 nan 0.000 0.457 521 L N 0.608 121.856 121.223 0.042 0.000 2.456 521 L HA -0.145 4.190 4.340 -0.009 0.000 0.224 521 L C 1.874 178.801 176.870 0.095 0.000 1.148 521 L CA 0.061 54.948 54.840 0.079 0.000 0.825 521 L CB -0.250 41.823 42.059 0.024 0.000 0.937 521 L HN 0.124 nan 8.230 nan 0.000 0.450 522 L N 0.054 121.299 121.223 0.037 0.000 2.131 522 L HA -0.184 4.151 4.340 -0.009 0.000 0.210 522 L C 2.690 179.537 176.870 -0.038 0.000 1.092 522 L CA 1.917 56.767 54.840 0.016 0.000 0.759 522 L CB -0.839 41.218 42.059 -0.003 0.000 0.903 522 L HN 0.351 nan 8.230 nan 0.000 0.435 523 S N -2.680 112.937 115.700 -0.139 0.000 2.660 523 S HA -0.077 4.388 4.470 -0.009 0.000 0.223 523 S C 1.156 175.475 174.600 -0.468 0.000 0.963 523 S CA 0.292 58.311 58.200 -0.303 0.000 0.932 523 S CB -0.526 62.430 63.200 -0.407 0.000 0.775 523 S HN 0.457 nan 8.310 nan 0.000 0.531 524 Y N -0.594 119.637 120.300 -0.114 0.000 2.500 524 Y HA 0.422 4.970 4.550 -0.004 0.000 0.246 524 Y C 1.915 177.850 175.900 0.059 0.000 1.146 524 Y CA -0.670 57.357 58.100 -0.122 0.000 1.230 524 Y CB 0.133 38.300 38.460 -0.489 0.000 1.214 524 Y HN 0.255 nan 8.280 nan 0.000 0.526 525 V N 0.451 120.460 119.914 0.159 0.000 2.688 525 V HA -0.226 3.889 4.120 -0.009 0.000 0.256 525 V C 0.985 177.155 176.094 0.126 0.000 1.084 525 V CA 2.340 64.736 62.300 0.159 0.000 1.103 525 V CB -0.007 31.868 31.823 0.086 0.000 0.688 525 V HN 0.332 nan 8.190 nan 0.000 0.480 526 D N -0.736 119.718 120.400 0.090 0.000 2.395 526 D HA 0.113 4.748 4.640 -0.009 0.000 0.213 526 D C 0.346 176.700 176.300 0.090 0.000 1.110 526 D CA -0.007 54.035 54.000 0.069 0.000 0.835 526 D CB 0.096 40.913 40.800 0.028 0.000 0.965 526 D HN 0.449 nan 8.370 nan 0.000 0.505 527 D N 1.493 121.983 120.400 0.151 0.000 2.338 527 D HA -0.031 4.604 4.640 -0.009 0.000 0.255 527 D C 1.236 177.645 176.300 0.182 0.000 1.237 527 D CA 0.002 54.112 54.000 0.184 0.000 0.883 527 D CB 1.551 42.535 40.800 0.307 0.000 1.087 527 D HN -0.202 nan 8.370 nan 0.000 0.485 528 E N 3.543 123.813 120.200 0.117 0.000 2.085 528 E HA -0.171 4.173 4.350 -0.009 0.000 0.194 528 E C 1.721 178.375 176.600 0.090 0.000 0.994 528 E CA 1.634 58.086 56.400 0.087 0.000 0.801 528 E CB -0.116 29.618 29.700 0.056 0.000 0.743 528 E HN 0.584 nan 8.360 nan 0.000 0.453 529 A N -0.208 122.678 122.820 0.111 0.000 1.877 529 A HA -0.160 4.155 4.320 -0.009 0.000 0.216 529 A C 2.294 179.955 177.584 0.129 0.000 1.186 529 A CA 1.473 53.571 52.037 0.101 0.000 0.620 529 A CB -1.083 17.979 19.000 0.104 0.000 0.822 529 A HN 0.450 nan 8.150 nan 0.000 0.443 530 F N 0.479 120.437 119.950 0.014 0.000 2.102 530 F HA -0.186 4.337 4.527 -0.007 0.000 0.298 530 F C 2.109 177.911 175.800 0.003 0.000 1.105 530 F CA 1.770 59.762 58.000 -0.013 0.000 1.239 530 F CB -0.138 38.861 39.000 -0.003 0.000 0.991 530 F HN 0.172 nan 8.300 nan 0.000 0.474 531 I N 0.141 120.740 120.570 0.049 0.000 2.151 531 I HA -0.380 3.785 4.170 -0.009 0.000 0.243 531 I C 2.574 178.632 176.117 -0.098 0.000 1.080 531 I CA 1.775 63.049 61.300 -0.044 0.000 1.339 531 I CB -0.549 37.476 38.000 0.041 0.000 1.039 531 I HN 0.133 nan 8.210 nan 0.000 0.409 532 R N 0.896 121.364 120.500 -0.053 0.000 2.081 532 R HA -0.185 4.150 4.340 -0.009 0.000 0.235 532 R C 1.917 178.160 176.300 -0.095 0.000 1.131 532 R CA 1.833 57.900 56.100 -0.056 0.000 0.960 532 R CB -0.115 30.172 30.300 -0.022 0.000 0.856 532 R HN 0.304 nan 8.270 nan 0.000 0.436 533 D N -0.333 119.988 120.400 -0.132 0.000 2.117 533 D HA -0.123 4.512 4.640 -0.009 0.000 0.198 533 D C 1.944 178.109 176.300 -0.224 0.000 0.982 533 D CA 1.238 55.145 54.000 -0.155 0.000 0.828 533 D CB -0.200 40.516 40.800 -0.139 0.000 0.967 533 D HN 0.083 nan 8.370 nan 0.000 0.464 534 V N 1.611 121.294 119.914 -0.385 0.000 2.287 534 V HA -0.270 3.844 4.120 -0.009 0.000 0.248 534 V C 2.543 178.542 176.094 -0.159 0.000 1.053 534 V CA 1.982 64.077 62.300 -0.342 0.000 1.027 534 V CB -0.796 30.760 31.823 -0.446 0.000 0.646 534 V HN 0.192 nan 8.190 nan 0.000 0.447 535 A N -0.687 122.058 122.820 -0.124 0.000 1.969 535 A HA -0.241 4.074 4.320 -0.009 0.000 0.218 535 A C 2.351 179.894 177.584 -0.067 0.000 1.169 535 A CA 2.035 54.031 52.037 -0.068 0.000 0.635 535 A CB -0.447 18.516 19.000 -0.061 0.000 0.810 535 A HN 0.532 nan 8.150 nan 0.000 0.445 536 K N -0.218 120.137 120.400 -0.075 0.000 2.057 536 K HA -0.069 4.246 4.320 -0.009 0.000 0.206 536 K C 1.815 178.387 176.600 -0.048 0.000 1.050 536 K CA 1.470 57.723 56.287 -0.057 0.000 0.935 536 K CB -0.223 32.245 32.500 -0.053 0.000 0.715 536 K HN 0.237 nan 8.250 nan 0.000 0.439 537 V N 1.742 121.622 119.914 -0.056 0.000 2.295 537 V HA -0.247 3.868 4.120 -0.009 0.000 0.246 537 V C 2.367 178.448 176.094 -0.023 0.000 1.049 537 V CA 1.991 64.269 62.300 -0.037 0.000 1.024 537 V CB -0.483 31.312 31.823 -0.047 0.000 0.648 537 V HN 0.342 nan 8.190 nan 0.000 0.447 538 K N 0.585 120.969 120.400 -0.027 0.000 2.032 538 K HA -0.245 4.070 4.320 -0.009 0.000 0.209 538 K C 2.183 178.761 176.600 -0.037 0.000 1.048 538 K CA 1.941 58.220 56.287 -0.013 0.000 0.927 538 K CB -0.578 31.927 32.500 0.007 0.000 0.712 538 K HN 0.388 nan 8.250 nan 0.000 0.441 539 Q N 1.002 120.771 119.800 -0.052 0.000 2.096 539 Q HA -0.135 4.200 4.340 -0.009 0.000 0.204 539 Q C 1.706 177.687 176.000 -0.032 0.000 0.982 539 Q CA 2.066 57.829 55.803 -0.066 0.000 0.850 539 Q CB -0.127 28.574 28.738 -0.062 0.000 0.901 539 Q HN 0.537 nan 8.270 nan 0.000 0.422 540 E N -0.547 119.646 120.200 -0.012 0.000 2.077 540 E HA -0.156 4.189 4.350 -0.009 0.000 0.193 540 E C 1.763 178.389 176.600 0.042 0.000 0.989 540 E CA 0.985 57.393 56.400 0.013 0.000 0.800 540 E CB -0.081 29.624 29.700 0.008 0.000 0.746 540 E HN 0.421 nan 8.360 nan 0.000 0.452 541 N N 1.029 119.753 118.700 0.040 0.000 2.166 541 N HA -0.135 4.600 4.740 -0.009 0.000 0.186 541 N C 1.509 177.107 175.510 0.146 0.000 1.019 541 N CA 1.051 54.148 53.050 0.078 0.000 0.856 541 N CB -0.089 38.429 38.487 0.050 0.000 0.993 541 N HN 0.146 nan 8.380 nan 0.000 0.426 542 K N 0.590 121.043 120.400 0.087 0.000 2.097 542 K HA 0.027 4.342 4.320 -0.009 0.000 0.205 542 K C 2.114 178.856 176.600 0.237 0.000 1.050 542 K CA 0.596 56.965 56.287 0.136 0.000 0.938 542 K CB -0.112 32.200 32.500 -0.315 0.000 0.718 542 K HN 0.109 nan 8.250 nan 0.000 0.442 543 L N 1.179 122.476 121.223 0.123 0.000 2.056 543 L HA -0.182 4.153 4.340 -0.009 0.000 0.207 543 L C 2.628 179.592 176.870 0.157 0.000 1.078 543 L CA 1.284 56.198 54.840 0.122 0.000 0.749 543 L CB -0.313 41.785 42.059 0.064 0.000 0.901 543 L HN 0.158 nan 8.230 nan 0.000 0.433 544 K N -0.270 120.228 120.400 0.163 0.000 2.057 544 K HA -0.236 4.079 4.320 -0.009 0.000 0.207 544 K C 2.189 178.941 176.600 0.253 0.000 1.049 544 K CA 1.557 57.948 56.287 0.174 0.000 0.931 544 K CB -0.140 32.450 32.500 0.150 0.000 0.714 544 K HN 0.083 nan 8.250 nan 0.000 0.440 545 F N 1.150 121.198 119.950 0.162 0.000 2.163 545 F HA 0.009 4.530 4.527 -0.009 0.000 0.297 545 F C 2.003 177.949 175.800 0.243 0.000 1.094 545 F CA 1.138 59.250 58.000 0.186 0.000 1.290 545 F CB -0.474 38.636 39.000 0.183 0.000 1.017 545 F HN 0.075 nan 8.300 nan 0.000 0.483 546 A N 0.168 123.137 122.820 0.248 0.000 1.978 546 A HA -0.057 4.258 4.320 -0.009 0.000 0.220 546 A C 2.376 179.988 177.584 0.047 0.000 1.170 546 A CA 1.733 53.853 52.037 0.139 0.000 0.636 546 A CB -1.411 17.742 19.000 0.256 0.000 0.810 546 A HN 0.461 nan 8.150 nan 0.000 0.448 547 A N -1.377 121.489 122.820 0.078 0.000 1.872 547 A HA -0.026 4.289 4.320 -0.009 0.000 0.214 547 A C 2.111 179.713 177.584 0.030 0.000 1.187 547 A CA 1.465 53.531 52.037 0.049 0.000 0.614 547 A CB -0.876 18.165 19.000 0.069 0.000 0.826 547 A HN 0.741 nan 8.150 nan 0.000 0.442 548 Y N 0.781 121.029 120.300 -0.087 0.000 2.193 548 Y HA -0.205 4.340 4.550 -0.009 0.000 0.285 548 Y C 1.840 177.657 175.900 -0.138 0.000 1.166 548 Y CA 1.831 59.867 58.100 -0.107 0.000 1.181 548 Y CB -0.359 38.043 38.460 -0.096 0.000 0.976 548 Y HN 0.211 nan 8.280 nan 0.000 0.520 549 L N 0.019 121.213 121.223 -0.048 0.000 2.191 549 L HA -0.203 4.131 4.340 -0.009 0.000 0.212 549 L C 2.129 178.988 176.870 -0.018 0.000 1.103 549 L CA 1.736 56.550 54.840 -0.044 0.000 0.769 549 L CB -0.399 41.566 42.059 -0.156 0.000 0.908 549 L HN 0.371 nan 8.230 nan 0.000 0.438 550 E N -0.855 119.319 120.200 -0.043 0.000 2.276 550 E HA -0.057 4.288 4.350 -0.009 0.000 0.193 550 E C 2.162 178.714 176.600 -0.081 0.000 0.983 550 E CA 0.048 56.439 56.400 -0.014 0.000 0.861 550 E CB 0.224 29.915 29.700 -0.015 0.000 0.817 550 E HN 0.414 nan 8.360 nan 0.000 0.485 551 R N 1.157 121.562 120.500 -0.158 0.000 2.082 551 R HA -0.121 4.213 4.340 -0.009 0.000 0.228 551 R C 1.917 178.036 176.300 -0.302 0.000 1.140 551 R CA 1.441 57.417 56.100 -0.207 0.000 0.920 551 R CB -0.068 30.098 30.300 -0.224 0.000 0.828 551 R HN -0.029 nan 8.270 nan 0.000 0.430 552 E N -1.281 118.585 120.200 -0.555 0.000 2.371 552 E HA -0.055 4.289 4.350 -0.009 0.000 0.194 552 E C 0.462 176.585 176.600 -0.794 0.000 1.012 552 E CA 0.791 56.748 56.400 -0.738 0.000 0.860 552 E CB 0.398 29.429 29.700 -1.115 0.000 0.811 552 E HN 0.375 nan 8.360 nan 0.000 0.502 553 Y N -0.321 119.868 120.300 -0.184 0.000 2.499 553 Y HA 0.256 4.801 4.550 -0.009 0.000 0.253 553 Y C -0.330 175.550 175.900 -0.033 0.000 1.105 553 Y CA -0.634 57.421 58.100 -0.075 0.000 1.240 553 Y CB 0.769 39.202 38.460 -0.045 0.000 1.289 553 Y HN -0.324 nan 8.280 nan 0.000 0.534 554 K N 1.296 121.740 120.400 0.073 0.000 5.294 554 K HA -0.097 4.218 4.320 -0.009 0.000 0.344 554 K C -1.091 175.583 176.600 0.123 0.000 0.909 554 K CA 0.852 57.197 56.287 0.096 0.000 1.081 554 K CB -1.779 30.766 32.500 0.075 0.000 1.814 554 K HN 0.243 nan 8.250 nan 0.000 0.407 555 V N -1.128 118.879 119.914 0.155 0.000 2.716 555 V HA 0.236 4.350 4.120 -0.009 0.000 0.284 555 V C 0.144 176.345 176.094 0.178 0.000 1.129 555 V CA -1.021 61.339 62.300 0.101 0.000 0.926 555 V CB 0.961 32.808 31.823 0.039 0.000 1.051 555 V HN 0.538 nan 8.190 nan 0.000 0.458 556 H N 5.564 124.633 119.070 -0.002 0.000 2.848 556 H HA 0.722 5.273 4.556 -0.009 0.000 0.341 556 H C 0.137 175.463 175.328 -0.004 0.000 1.060 556 H CA 0.168 56.217 56.048 0.001 0.000 1.444 556 H CB 1.481 31.248 29.762 0.008 0.000 1.446 556 H HN 0.896 nan 8.280 nan 0.000 0.583 557 I N -0.217 120.435 120.570 0.137 0.000 3.095 557 I HA 0.368 4.532 4.170 -0.009 0.000 0.310 557 I C -0.924 175.273 176.117 0.132 0.000 1.196 557 I CA -1.377 59.978 61.300 0.092 0.000 0.985 557 I CB 2.449 40.471 38.000 0.036 0.000 1.250 557 I HN 0.373 nan 8.210 nan 0.000 0.446 558 N N 4.004 122.792 118.700 0.146 0.000 2.462 558 N HA 0.467 5.202 4.740 -0.009 0.000 0.242 558 N C -2.127 173.530 175.510 0.245 0.000 1.010 558 N CA -2.381 50.763 53.050 0.156 0.000 0.939 558 N CB 1.297 39.849 38.487 0.108 0.000 1.127 558 N HN 0.355 nan 8.380 nan 0.000 0.509 559 P HA -0.026 nan 4.420 nan 0.000 0.228 559 P C -0.014 177.267 177.300 -0.033 0.000 1.151 559 P CA 1.145 64.321 63.100 0.126 0.000 0.770 559 P CB 0.165 31.918 31.700 0.089 0.000 0.786 560 N N -1.364 117.353 118.700 0.028 0.000 2.373 560 N HA 0.003 4.738 4.740 -0.009 0.000 0.181 560 N C 0.508 176.042 175.510 0.040 0.000 1.082 560 N CA -0.107 52.948 53.050 0.009 0.000 0.885 560 N CB 0.070 38.576 38.487 0.031 0.000 0.977 560 N HN 0.175 nan 8.380 nan 0.000 0.462 561 S N 0.407 116.147 115.700 0.066 0.000 2.624 561 S HA 0.183 4.648 4.470 -0.009 0.000 0.263 561 S C 0.029 174.594 174.600 -0.058 0.000 1.287 561 S CA -0.842 57.386 58.200 0.047 0.000 0.990 561 S CB 1.096 64.357 63.200 0.102 0.000 0.950 561 S HN 0.165 nan 8.310 nan 0.000 0.561 562 L N 1.833 122.872 121.223 -0.307 0.000 2.360 562 L HA 0.387 4.721 4.340 -0.009 0.000 0.276 562 L C -0.914 175.928 176.870 -0.046 0.000 1.121 562 L CA -0.589 53.859 54.840 -0.654 0.000 0.845 562 L CB -0.097 41.269 42.059 -1.155 0.000 1.143 562 L HN 0.712 nan 8.230 nan 0.000 0.452 563 F N 4.181 123.994 119.950 -0.229 0.000 2.405 563 F HA 0.110 4.632 4.527 -0.008 0.000 0.358 563 F C 0.363 176.092 175.800 -0.118 0.000 1.151 563 F CA -0.854 57.082 58.000 -0.107 0.000 1.161 563 F CB 0.641 39.629 39.000 -0.020 0.000 1.245 563 F HN 0.520 nan 8.300 nan 0.000 0.545 564 D N 4.952 125.356 120.400 0.006 0.000 2.396 564 D HA 0.245 4.880 4.640 -0.009 0.000 0.225 564 D C -1.026 175.211 176.300 -0.105 0.000 1.121 564 D CA -0.060 53.896 54.000 -0.074 0.000 0.853 564 D CB 1.345 42.087 40.800 -0.097 0.000 1.043 564 D HN 0.269 nan 8.370 nan 0.000 0.500 565 V N 2.685 122.515 119.914 -0.140 0.000 2.735 565 V HA 0.589 4.704 4.120 -0.009 0.000 0.310 565 V C -1.396 174.536 176.094 -0.270 0.000 1.061 565 V CA -0.681 61.516 62.300 -0.172 0.000 0.913 565 V CB 1.925 33.699 31.823 -0.082 0.000 1.005 565 V HN 0.516 nan 8.190 nan 0.000 0.428 566 Q N 4.325 123.984 119.800 -0.235 0.000 2.397 566 Q HA 0.651 4.986 4.340 -0.009 0.000 0.260 566 Q C -1.501 174.324 176.000 -0.291 0.000 1.002 566 Q CA -0.629 55.023 55.803 -0.253 0.000 0.716 566 Q CB 1.891 30.512 28.738 -0.195 0.000 1.258 566 Q HN 1.155 nan 8.270 nan 0.000 0.477 567 V N 1.882 121.604 119.914 -0.321 0.000 2.487 567 V HA 0.865 4.979 4.120 -0.009 0.000 0.298 567 V C -0.852 174.945 176.094 -0.495 0.000 1.028 567 V CA -0.541 61.368 62.300 -0.652 0.000 0.860 567 V CB 1.273 32.451 31.823 -1.074 0.000 0.991 567 V HN 0.810 nan 8.190 nan 0.000 0.427 568 K N 2.560 122.727 120.400 -0.388 0.000 3.040 568 K HA 0.392 4.707 4.320 -0.009 0.000 0.300 568 K C -1.297 175.302 176.600 -0.002 0.000 1.092 568 K CA -1.119 55.128 56.287 -0.066 0.000 0.831 568 K CB 0.924 33.374 32.500 -0.084 0.000 1.469 568 K HN 0.473 nan 8.250 nan 0.000 0.365 569 R N 0.875 121.421 120.500 0.077 0.000 2.698 569 R HA 0.166 4.501 4.340 -0.009 0.000 0.266 569 R C 0.389 176.713 176.300 0.041 0.000 1.026 569 R CA -0.306 55.855 56.100 0.102 0.000 1.102 569 R CB -0.156 30.230 30.300 0.143 0.000 0.978 569 R HN 0.464 nan 8.270 nan 0.000 0.436 570 I N 4.102 124.711 120.570 0.066 0.000 2.436 570 I HA 0.095 4.259 4.170 -0.009 0.000 0.289 570 I C 0.763 176.878 176.117 -0.004 0.000 1.083 570 I CA 0.570 61.867 61.300 -0.006 0.000 1.372 570 I CB -0.359 37.628 38.000 -0.021 0.000 1.408 570 I HN 0.362 nan 8.210 nan 0.000 0.516 571 H N 5.241 124.208 119.070 -0.172 0.000 3.046 571 H HA 0.227 4.777 4.556 -0.009 0.000 0.363 571 H C 0.320 175.517 175.328 -0.218 0.000 1.203 571 H CA -0.371 55.614 56.048 -0.106 0.000 1.169 571 H CB 1.854 31.528 29.762 -0.147 0.000 1.851 571 H HN 0.586 nan 8.280 nan 0.000 0.546 572 E N 1.901 122.075 120.200 -0.044 0.000 2.110 572 E HA -0.216 4.129 4.350 -0.009 0.000 0.193 572 E C 1.294 177.715 176.600 -0.297 0.000 0.988 572 E CA 1.652 58.044 56.400 -0.012 0.000 0.804 572 E CB -0.031 29.828 29.700 0.264 0.000 0.745 572 E HN 0.563 nan 8.360 nan 0.000 0.458 573 Y N 0.780 120.747 120.300 -0.556 0.000 2.439 573 Y HA 0.043 4.587 4.550 -0.009 0.000 0.292 573 Y C 1.447 177.093 175.900 -0.424 0.000 1.130 573 Y CA 0.708 58.151 58.100 -1.095 0.000 1.254 573 Y CB -0.056 37.748 38.460 -1.093 0.000 1.000 573 Y HN -0.218 nan 8.280 nan 0.000 0.554 574 K N 0.840 120.780 120.400 -0.767 0.000 2.432 574 K HA 0.079 4.394 4.320 -0.009 0.000 0.196 574 K C 0.076 176.511 176.600 -0.276 0.000 1.038 574 K CA 0.400 56.357 56.287 -0.551 0.000 0.986 574 K CB -0.039 32.115 32.500 -0.575 0.000 0.782 574 K HN 0.259 nan 8.250 nan 0.000 0.485 575 R N 0.573 120.940 120.500 -0.222 0.000 3.333 575 R HA -0.230 4.104 4.340 -0.009 0.000 0.256 575 R C 0.271 176.495 176.300 -0.127 0.000 1.010 575 R CA 0.178 56.197 56.100 -0.134 0.000 0.680 575 R CB -1.791 28.448 30.300 -0.101 0.000 1.102 575 R HN 0.288 nan 8.270 nan 0.000 0.440 576 Q N 0.334 120.057 119.800 -0.128 0.000 2.226 576 Q HA -0.040 4.294 4.340 -0.009 0.000 0.204 576 Q C 2.025 177.976 176.000 -0.081 0.000 0.975 576 Q CA 1.356 57.096 55.803 -0.105 0.000 0.866 576 Q CB 0.038 28.717 28.738 -0.098 0.000 0.915 576 Q HN 0.585 nan 8.270 nan 0.000 0.440 577 L N -0.597 120.582 121.223 -0.074 0.000 2.083 577 L HA -0.184 4.151 4.340 -0.009 0.000 0.209 577 L C 1.991 178.862 176.870 0.001 0.000 1.083 577 L CA 0.535 55.346 54.840 -0.048 0.000 0.752 577 L CB -0.351 41.690 42.059 -0.030 0.000 0.899 577 L HN 0.309 nan 8.230 nan 0.000 0.433 578 L N 0.040 121.255 121.223 -0.014 0.000 2.046 578 L HA -0.233 4.101 4.340 -0.009 0.000 0.208 578 L C 2.036 178.951 176.870 0.076 0.000 1.077 578 L CA 1.906 56.747 54.840 0.002 0.000 0.747 578 L CB -0.837 41.111 42.059 -0.186 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.665 117.048 118.700 0.021 0.000 2.120 579 N HA -0.236 4.498 4.740 -0.009 0.000 0.188 579 N C 1.948 177.542 175.510 0.141 0.000 1.024 579 N CA 1.628 54.772 53.050 0.156 0.000 0.852 579 N CB -0.139 38.370 38.487 0.037 0.000 1.003 579 N HN 0.493 nan 8.380 nan 0.000 0.424 580 C N 0.580 119.897 119.300 0.028 0.000 2.413 580 C HA -0.081 4.374 4.460 -0.009 0.000 0.276 580 C C 2.601 177.584 174.990 -0.012 0.000 1.248 580 C CA 0.395 59.382 59.018 -0.050 0.000 1.742 580 C CB -1.262 26.395 27.740 -0.138 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.388 120.889 121.223 0.090 0.000 2.083 581 L HA -0.202 4.132 4.340 -0.009 0.000 0.209 581 L C 2.763 179.786 176.870 0.255 0.000 1.083 581 L CA 1.799 56.736 54.840 0.161 0.000 0.752 581 L CB -1.023 41.197 42.059 0.268 0.000 0.899 581 L HN 0.592 nan 8.230 nan 0.000 0.433 582 H N -0.098 119.090 119.070 0.196 0.000 2.326 582 H HA -0.132 4.419 4.556 -0.009 0.000 0.301 582 H C 2.241 177.565 175.328 -0.007 0.000 1.081 582 H CA 1.877 57.961 56.048 0.061 0.000 1.334 582 H CB 0.322 30.053 29.762 -0.051 0.000 1.385 582 H HN 0.093 nan 8.280 nan 0.000 0.504 583 V N 1.673 121.512 119.914 -0.126 0.000 2.287 583 V HA -0.284 3.831 4.120 -0.009 0.000 0.248 583 V C 2.835 178.859 176.094 -0.118 0.000 1.053 583 V CA 1.937 64.125 62.300 -0.187 0.000 1.027 583 V CB -0.521 31.237 31.823 -0.109 0.000 0.646 583 V HN 0.405 nan 8.190 nan 0.000 0.447 584 I N -0.236 120.297 120.570 -0.062 0.000 2.394 584 I HA -0.208 3.957 4.170 -0.009 0.000 0.251 584 I C 2.486 178.646 176.117 0.072 0.000 1.136 584 I CA 1.625 62.951 61.300 0.044 0.000 1.425 584 I CB -0.678 37.321 38.000 -0.001 0.000 1.079 584 I HN 0.328 nan 8.210 nan 0.000 0.425 585 T N 1.235 115.790 114.554 0.002 0.000 2.746 585 T HA -0.144 4.201 4.350 -0.009 0.000 0.267 585 T C 1.887 176.533 174.700 -0.090 0.000 1.039 585 T CA 1.190 63.285 62.100 -0.008 0.000 1.142 585 T CB -0.224 68.669 68.868 0.042 0.000 0.866 585 T HN 0.085 nan 8.240 nan 0.000 0.444 586 L N 0.115 121.215 121.223 -0.205 0.000 2.046 586 L HA -0.015 4.319 4.340 -0.009 0.000 0.208 586 L C 2.094 178.917 176.870 -0.077 0.000 1.077 586 L CA 1.595 56.311 54.840 -0.206 0.000 0.747 586 L CB -0.946 40.922 42.059 -0.319 0.000 0.896 586 L HN 0.365 nan 8.230 nan 0.000 0.432 587 Y N 0.115 120.344 120.300 -0.118 0.000 2.145 587 Y HA -0.278 4.266 4.550 -0.009 0.000 0.286 587 Y C 2.412 178.282 175.900 -0.049 0.000 1.145 587 Y CA 1.816 59.885 58.100 -0.053 0.000 1.148 587 Y CB -0.088 38.384 38.460 0.021 0.000 0.981 587 Y HN 0.282 nan 8.280 nan 0.000 0.507 588 N N 0.475 119.118 118.700 -0.096 0.000 2.166 588 N HA -0.137 4.597 4.740 -0.009 0.000 0.186 588 N C 1.796 177.186 175.510 -0.200 0.000 1.019 588 N CA 1.444 54.374 53.050 -0.199 0.000 0.856 588 N CB -0.350 38.082 38.487 -0.092 0.000 0.993 588 N HN 0.456 nan 8.380 nan 0.000 0.426 589 R N 0.398 120.809 120.500 -0.149 0.000 2.092 589 R HA 0.086 4.420 4.340 -0.009 0.000 0.231 589 R C 2.184 178.394 176.300 -0.150 0.000 1.119 589 R CA 0.702 56.724 56.100 -0.130 0.000 0.970 589 R CB -0.192 30.042 30.300 -0.110 0.000 0.864 589 R HN 0.246 nan 8.270 nan 0.000 0.440 590 I N 0.873 121.332 120.570 -0.185 0.000 2.252 590 I HA -0.242 3.923 4.170 -0.009 0.000 0.245 590 I C 2.047 178.043 176.117 -0.201 0.000 1.102 590 I CA 1.122 62.315 61.300 -0.178 0.000 1.385 590 I CB -0.159 37.738 38.000 -0.172 0.000 1.064 590 I HN 0.014 nan 8.210 nan 0.000 0.414 591 K N 0.927 121.142 120.400 -0.308 0.000 2.211 591 K HA -0.183 4.131 4.320 -0.009 0.000 0.203 591 K C 1.992 178.490 176.600 -0.171 0.000 1.050 591 K CA 1.089 57.209 56.287 -0.278 0.000 0.945 591 K CB -0.268 31.985 32.500 -0.413 0.000 0.732 591 K HN 0.326 nan 8.250 nan 0.000 0.451 592 K N 1.142 121.449 120.400 -0.156 0.000 2.116 592 K HA -0.069 4.246 4.320 -0.009 0.000 0.203 592 K C 0.000 176.552 176.600 -0.081 0.000 1.052 592 K CA 0.989 57.212 56.287 -0.107 0.000 0.952 592 K CB 0.391 32.831 32.500 -0.099 0.000 0.729 592 K HN 0.059 nan 8.250 nan 0.000 0.446 593 E N 0.191 120.341 120.200 -0.083 0.000 3.386 593 E HA 0.119 4.463 4.350 -0.009 0.000 0.236 593 E C -2.373 174.191 176.600 -0.060 0.000 1.227 593 E CA -1.579 54.785 56.400 -0.059 0.000 0.970 593 E CB 1.737 31.409 29.700 -0.048 0.000 1.343 593 E HN 0.103 nan 8.360 nan 0.000 0.397 594 P HA -0.182 nan 4.420 nan 0.000 0.216 594 P C 0.301 177.585 177.300 -0.027 0.000 1.153 594 P CA 1.336 64.405 63.100 -0.051 0.000 0.858 594 P CB 0.171 31.845 31.700 -0.043 0.000 0.789 595 N N -1.243 117.450 118.700 -0.012 0.000 2.322 595 N HA 0.009 4.744 4.740 -0.009 0.000 0.216 595 N C 0.421 175.949 175.510 0.029 0.000 1.144 595 N CA 0.060 53.116 53.050 0.011 0.000 0.830 595 N CB -0.088 38.405 38.487 0.010 0.000 1.034 595 N HN 0.048 nan 8.380 nan 0.000 0.484 596 K N 1.055 121.465 120.400 0.017 0.000 2.130 596 K HA 0.167 4.481 4.320 -0.009 0.000 0.268 596 K C -0.947 175.692 176.600 0.065 0.000 0.983 596 K CA -0.607 55.704 56.287 0.040 0.000 0.893 596 K CB 0.672 33.174 32.500 0.003 0.000 1.066 596 K HN -0.043 nan 8.250 nan 0.000 0.450 597 F N 4.436 124.373 119.950 -0.023 0.000 2.443 597 F HA 0.254 4.776 4.527 -0.009 0.000 0.353 597 F C -0.422 175.364 175.800 -0.024 0.000 1.101 597 F CA -0.099 57.888 58.000 -0.020 0.000 1.226 597 F CB 0.684 39.675 39.000 -0.015 0.000 1.140 597 F HN 0.193 nan 8.300 nan 0.000 0.557 598 V N 3.980 123.252 119.914 -1.070 0.000 2.888 598 V HA 0.511 4.625 4.120 -0.009 0.000 0.309 598 V C -0.888 174.591 176.094 -1.025 0.000 1.114 598 V CA -1.234 60.599 62.300 -0.778 0.000 0.940 598 V CB 0.876 32.470 31.823 -0.382 0.000 1.021 598 V HN 0.591 nan 8.190 nan 0.000 0.426 599 V N 4.726 124.296 119.914 -0.573 0.000 2.493 599 V HA 0.174 4.289 4.120 -0.009 0.000 0.292 599 V C -1.817 174.114 176.094 -0.272 0.000 1.016 599 V CA -0.316 61.795 62.300 -0.315 0.000 1.097 599 V CB 0.321 32.081 31.823 -0.105 0.000 0.947 599 V HN 0.899 nan 8.190 nan 0.000 0.479 600 P HA 0.281 nan 4.420 nan 0.000 0.268 600 P C -0.332 176.885 177.300 -0.138 0.000 1.204 600 P CA 0.096 63.116 63.100 -0.133 0.000 0.768 600 P CB 0.499 32.172 31.700 -0.044 0.000 0.842 601 R N 1.199 121.629 120.500 -0.116 0.000 2.725 601 R HA 0.579 4.914 4.340 -0.009 0.000 0.277 601 R C -0.864 175.403 176.300 -0.054 0.000 0.987 601 R CA -0.649 55.385 56.100 -0.110 0.000 0.901 601 R CB 2.083 32.299 30.300 -0.140 0.000 1.207 601 R HN 0.277 nan 8.270 nan 0.000 0.463 602 T N 1.909 116.448 114.554 -0.025 0.000 2.864 602 T HA 0.239 4.583 4.350 -0.009 0.000 0.310 602 T C -0.469 174.157 174.700 -0.124 0.000 1.040 602 T CA -0.457 61.595 62.100 -0.080 0.000 0.977 602 T CB 1.147 69.923 68.868 -0.153 0.000 0.976 602 T HN 0.136 nan 8.240 nan 0.000 0.459 603 V N 5.885 125.730 119.914 -0.115 0.000 2.385 603 V HA 0.421 4.536 4.120 -0.009 0.000 0.269 603 V C 0.080 176.097 176.094 -0.130 0.000 1.043 603 V CA -0.350 61.883 62.300 -0.110 0.000 0.906 603 V CB 0.670 32.442 31.823 -0.086 0.000 0.995 603 V HN 0.845 nan 8.190 nan 0.000 0.467 604 M N 6.665 126.176 119.600 -0.150 0.000 2.227 604 M HA 0.613 5.087 4.480 -0.009 0.000 0.335 604 M C -0.983 175.201 176.300 -0.192 0.000 1.053 604 M CA -0.153 55.047 55.300 -0.166 0.000 0.973 604 M CB 1.966 34.465 32.600 -0.169 0.000 1.623 604 M HN 0.423 nan 8.290 nan 0.000 0.434 605 I N 1.923 122.357 120.570 -0.228 0.000 2.498 605 I HA 0.810 4.975 4.170 -0.009 0.000 0.290 605 I C 0.016 175.789 176.117 -0.572 0.000 1.032 605 I CA -0.614 60.520 61.300 -0.277 0.000 1.073 605 I CB 2.324 40.248 38.000 -0.126 0.000 1.251 605 I HN 0.799 nan 8.210 nan 0.000 0.426 606 G N 3.010 111.444 108.800 -0.609 0.000 2.690 606 G HA2 0.838 4.793 3.960 -0.009 0.000 0.293 606 G HA3 0.838 4.793 3.960 -0.009 0.000 0.293 606 G C -1.046 173.567 174.900 -0.480 0.000 1.399 606 G CA -0.775 43.822 45.100 -0.839 0.000 0.890 606 G HN 0.979 nan 8.290 nan 0.000 0.485 607 G N -0.345 108.336 108.800 -0.199 0.000 2.352 607 G HA2 0.417 4.372 3.960 -0.009 0.000 0.303 607 G HA3 0.417 4.372 3.960 -0.009 0.000 0.303 607 G C -1.287 173.763 174.900 0.249 0.000 1.593 607 G CA -1.026 44.125 45.100 0.085 0.000 0.963 607 G HN 0.606 nan 8.290 nan 0.000 0.685 608 K N -0.134 120.407 120.400 0.235 0.000 2.098 608 K HA 0.766 5.080 4.320 -0.009 0.000 0.258 608 K C 0.208 176.966 176.600 0.263 0.000 0.973 608 K CA -0.249 56.198 56.287 0.268 0.000 0.898 608 K CB 2.081 34.645 32.500 0.107 0.000 1.057 608 K HN 0.862 nan 8.250 nan 0.000 0.447 609 A N 1.305 124.313 122.820 0.314 0.000 2.324 609 A HA 0.645 4.960 4.320 -0.009 0.000 0.330 609 A C -0.501 177.277 177.584 0.324 0.000 1.165 609 A CA -0.750 51.417 52.037 0.216 0.000 0.813 609 A CB 1.082 20.122 19.000 0.067 0.000 1.197 609 A HN 0.771 nan 8.150 nan 0.000 0.484 610 A N 3.499 126.502 122.820 0.306 0.000 2.511 610 A HA 0.475 4.789 4.320 -0.009 0.000 0.242 610 A C -1.400 176.283 177.584 0.166 0.000 1.069 610 A CA -0.809 51.404 52.037 0.294 0.000 0.763 610 A CB -0.371 18.780 19.000 0.251 0.000 1.001 610 A HN 0.600 nan 8.150 nan 0.000 0.498 611 P HA -0.162 nan 4.420 nan 0.000 0.217 611 P C 1.270 178.567 177.300 -0.005 0.000 1.151 611 P CA 2.068 65.120 63.100 -0.081 0.000 0.849 611 P CB 0.212 31.808 31.700 -0.172 0.000 0.787 612 G N -3.139 105.683 108.800 0.036 0.000 3.284 612 G HA2 -0.056 3.898 3.960 -0.009 0.000 0.236 612 G HA3 -0.056 3.898 3.960 -0.009 0.000 0.236 612 G C -0.294 174.649 174.900 0.071 0.000 1.158 612 G CA -0.115 45.009 45.100 0.039 0.000 0.774 612 G HN 0.308 nan 8.290 nan 0.000 0.545 613 Y N 1.701 121.952 120.300 -0.082 0.000 2.751 613 Y HA 0.191 4.736 4.550 -0.009 0.000 0.333 613 Y C 1.633 177.514 175.900 -0.031 0.000 1.122 613 Y CA -1.102 56.925 58.100 -0.122 0.000 1.367 613 Y CB 0.127 38.487 38.460 -0.167 0.000 1.242 613 Y HN 0.311 nan 8.280 nan 0.000 0.505 614 H N 4.065 123.235 119.070 0.167 0.000 2.289 614 H HA -0.245 4.306 4.556 -0.009 0.000 0.296 614 H C 1.834 177.165 175.328 0.006 0.000 1.091 614 H CA 2.506 58.598 56.048 0.074 0.000 1.274 614 H CB 0.314 30.120 29.762 0.073 0.000 1.364 614 H HN 0.719 nan 8.280 nan 0.000 0.490 615 M N 1.056 120.640 119.600 -0.025 0.000 2.149 615 M HA -0.106 4.369 4.480 -0.009 0.000 0.261 615 M C 2.541 178.580 176.300 -0.434 0.000 1.064 615 M CA 1.885 57.075 55.300 -0.183 0.000 1.102 615 M CB -0.783 31.825 32.600 0.013 0.000 1.369 615 M HN 0.359 nan 8.290 nan 0.000 0.408 616 A N -0.505 121.817 122.820 -0.831 0.000 1.933 616 A HA -0.186 4.129 4.320 -0.009 0.000 0.218 616 A C 2.202 179.581 177.584 -0.342 0.000 1.175 616 A CA 1.838 53.435 52.037 -0.733 0.000 0.628 616 A CB -0.623 17.768 19.000 -1.015 0.000 0.814 616 A HN 0.588 nan 8.150 nan 0.000 0.444 617 K N -1.144 119.103 120.400 -0.255 0.000 2.155 617 K HA -0.012 4.303 4.320 -0.009 0.000 0.203 617 K C 1.871 178.405 176.600 -0.110 0.000 1.052 617 K CA 1.105 57.326 56.287 -0.112 0.000 0.948 617 K CB -0.184 32.308 32.500 -0.015 0.000 0.728 617 K HN 0.342 nan 8.250 nan 0.000 0.448 618 M N 0.513 119.998 119.600 -0.193 0.000 2.254 618 M HA -0.058 4.416 4.480 -0.009 0.000 0.265 618 M C 2.062 178.292 176.300 -0.116 0.000 1.066 618 M CA 1.339 56.567 55.300 -0.120 0.000 1.123 618 M CB -0.544 31.973 32.600 -0.140 0.000 1.388 618 M HN 0.124 nan 8.290 nan 0.000 0.425 619 I N -0.263 120.204 120.570 -0.172 0.000 2.315 619 I HA -0.286 3.879 4.170 -0.009 0.000 0.248 619 I C 2.264 178.260 176.117 -0.202 0.000 1.117 619 I CA 0.983 62.177 61.300 -0.177 0.000 1.404 619 I CB -0.266 37.627 38.000 -0.180 0.000 1.071 619 I HN 0.173 nan 8.210 nan 0.000 0.419 620 I N 0.703 121.136 120.570 -0.229 0.000 2.226 620 I HA -0.293 3.872 4.170 -0.009 0.000 0.245 620 I C 2.603 178.453 176.117 -0.445 0.000 1.100 620 I CA 1.197 62.278 61.300 -0.364 0.000 1.374 620 I CB -0.301 37.458 38.000 -0.403 0.000 1.057 620 I HN 0.152 nan 8.210 nan 0.000 0.413 621 K N 1.612 121.758 120.400 -0.424 0.000 2.057 621 K HA -0.155 4.160 4.320 -0.009 0.000 0.207 621 K C 2.039 178.478 176.600 -0.269 0.000 1.049 621 K CA 1.506 57.461 56.287 -0.553 0.000 0.931 621 K CB -0.592 31.323 32.500 -0.975 0.000 0.714 621 K HN 0.234 nan 8.250 nan 0.000 0.440 622 L N 0.336 121.434 121.223 -0.209 0.000 2.017 622 L HA -0.164 4.171 4.340 -0.009 0.000 0.208 622 L C 2.187 178.817 176.870 -0.400 0.000 1.073 622 L CA 1.664 56.210 54.840 -0.491 0.000 0.745 622 L CB -0.270 41.427 42.059 -0.605 0.000 0.894 622 L HN 0.265 nan 8.230 nan 0.000 0.432 623 I N -0.189 120.206 120.570 -0.292 0.000 2.163 623 I HA -0.333 3.832 4.170 -0.009 0.000 0.243 623 I C 2.623 178.636 176.117 -0.173 0.000 1.085 623 I CA 1.946 63.127 61.300 -0.199 0.000 1.347 623 I CB -0.673 37.297 38.000 -0.050 0.000 1.044 623 I HN 0.427 nan 8.210 nan 0.000 0.408 624 T N -0.693 113.733 114.554 -0.214 0.000 2.867 624 T HA -0.076 4.269 4.350 -0.009 0.000 0.268 624 T C 1.979 176.610 174.700 -0.116 0.000 1.057 624 T CA 0.952 62.955 62.100 -0.161 0.000 1.136 624 T CB -0.478 68.248 68.868 -0.237 0.000 0.874 624 T HN 0.351 nan 8.240 nan 0.000 0.466 625 A N 1.550 124.294 122.820 -0.127 0.000 1.933 625 A HA 0.139 4.454 4.320 -0.009 0.000 0.218 625 A C 2.384 179.968 177.584 0.001 0.000 1.175 625 A CA 1.268 53.296 52.037 -0.015 0.000 0.628 625 A CB -0.806 18.265 19.000 0.118 0.000 0.814 625 A HN 0.594 nan 8.150 nan 0.000 0.444 626 I N -0.380 120.086 120.570 -0.174 0.000 2.252 626 I HA -0.182 3.983 4.170 -0.009 0.000 0.245 626 I C 2.682 178.746 176.117 -0.088 0.000 1.102 626 I CA 1.060 62.229 61.300 -0.218 0.000 1.385 626 I CB -0.587 37.169 38.000 -0.407 0.000 1.064 626 I HN 0.398 nan 8.210 nan 0.000 0.414 627 G N 0.445 109.191 108.800 -0.089 0.000 2.418 627 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.217 627 G HA3 -0.248 3.707 3.960 -0.009 0.000 0.217 627 G C 1.240 176.123 174.900 -0.028 0.000 1.158 627 G CA 0.857 45.915 45.100 -0.071 0.000 0.771 627 G HN 0.270 nan 8.290 nan 0.000 0.545 628 D N 0.091 120.516 120.400 0.041 0.000 2.149 628 D HA -0.097 4.538 4.640 -0.009 0.000 0.198 628 D C 2.717 179.134 176.300 0.195 0.000 0.990 628 D CA 0.798 54.892 54.000 0.156 0.000 0.839 628 D CB -0.259 40.591 40.800 0.084 0.000 0.948 628 D HN 0.244 nan 8.370 nan 0.000 0.460 629 V N 0.126 120.086 119.914 0.076 0.000 2.302 629 V HA -0.141 3.974 4.120 -0.009 0.000 0.243 629 V C 2.608 178.658 176.094 -0.074 0.000 1.036 629 V CA 0.787 63.084 62.300 -0.005 0.000 1.020 629 V CB -0.360 31.441 31.823 -0.036 0.000 0.657 629 V HN 0.031 nan 8.190 nan 0.000 0.453 630 V N 1.062 120.867 119.914 -0.183 0.000 2.295 630 V HA -0.223 3.892 4.120 -0.009 0.000 0.246 630 V C 2.148 178.190 176.094 -0.086 0.000 1.049 630 V CA 2.091 64.271 62.300 -0.199 0.000 1.024 630 V CB -0.896 30.806 31.823 -0.200 0.000 0.648 630 V HN 0.579 nan 8.190 nan 0.000 0.447 631 N N -0.347 118.244 118.700 -0.182 0.000 2.512 631 N HA -0.087 4.648 4.740 -0.009 0.000 0.183 631 N C 1.178 176.402 175.510 -0.477 0.000 1.073 631 N CA 0.914 53.763 53.050 -0.335 0.000 0.911 631 N CB -0.263 37.947 38.487 -0.462 0.000 0.964 631 N HN 0.695 nan 8.380 nan 0.000 0.447 632 H N -1.431 117.634 119.070 -0.009 0.000 2.674 632 H HA 0.193 4.744 4.556 -0.008 0.000 0.274 632 H C -0.495 174.846 175.328 0.021 0.000 1.121 632 H CA -0.484 55.561 56.048 -0.005 0.000 1.132 632 H CB 0.639 30.387 29.762 -0.023 0.000 1.606 632 H HN -0.011 nan 8.280 nan 0.000 0.558 633 D N 1.696 122.169 120.400 0.122 0.000 2.339 633 D HA 0.043 4.678 4.640 -0.009 0.000 0.241 633 D C -1.653 174.707 176.300 0.101 0.000 1.183 633 D CA -2.036 52.053 54.000 0.148 0.000 0.859 633 D CB 1.623 42.593 40.800 0.283 0.000 1.067 633 D HN 0.084 nan 8.370 nan 0.000 0.484 634 P HA -0.168 nan 4.420 nan 0.000 0.216 634 P C 1.601 178.926 177.300 0.041 0.000 1.153 634 P CA 0.567 63.698 63.100 0.051 0.000 0.858 634 P CB 0.389 32.114 31.700 0.042 0.000 0.789 635 V N -0.721 119.216 119.914 0.039 0.000 2.490 635 V HA -0.183 3.931 4.120 -0.009 0.000 0.250 635 V C 2.391 178.491 176.094 0.011 0.000 1.061 635 V CA 1.606 63.915 62.300 0.015 0.000 1.064 635 V CB -1.053 30.766 31.823 -0.007 0.000 0.670 635 V HN -0.006 nan 8.190 nan 0.000 0.461 636 V N -0.284 119.653 119.914 0.040 0.000 2.453 636 V HA 0.115 4.230 4.120 -0.009 0.000 0.247 636 V C 1.793 177.899 176.094 0.020 0.000 1.048 636 V CA 1.407 63.730 62.300 0.038 0.000 1.049 636 V CB -1.229 30.665 31.823 0.118 0.000 0.672 636 V HN 0.736 nan 8.190 nan 0.000 0.457 637 G N 1.577 110.392 108.800 0.026 0.000 2.574 637 G HA2 -0.404 3.551 3.960 -0.009 0.000 0.286 637 G HA3 -0.404 3.551 3.960 -0.009 0.000 0.286 637 G C 0.235 175.142 174.900 0.011 0.000 1.212 637 G CA 0.591 45.702 45.100 0.019 0.000 0.979 637 G HN 0.738 nan 8.290 nan 0.000 0.557 638 D N -0.186 120.222 120.400 0.014 0.000 2.358 638 D HA 0.289 4.924 4.640 -0.009 0.000 0.224 638 D C 1.867 178.167 176.300 0.000 0.000 1.123 638 D CA 0.234 54.242 54.000 0.014 0.000 0.833 638 D CB 0.112 40.931 40.800 0.032 0.000 0.946 638 D HN 0.559 nan 8.370 nan 0.000 0.505 639 R N -0.595 119.895 120.500 -0.017 0.000 2.153 639 R HA 0.209 4.543 4.340 -0.009 0.000 0.218 639 R C -0.157 176.106 176.300 -0.062 0.000 1.072 639 R CA 0.340 56.407 56.100 -0.054 0.000 0.990 639 R CB 0.143 30.395 30.300 -0.080 0.000 0.889 639 R HN 0.208 nan 8.270 nan 0.000 0.452 640 L N 0.634 121.836 121.223 -0.035 0.000 2.505 640 L HA 0.396 4.731 4.340 -0.009 0.000 0.266 640 L C -1.649 175.199 176.870 -0.037 0.000 0.954 640 L CA -0.549 54.267 54.840 -0.039 0.000 0.852 640 L CB 1.829 43.876 42.059 -0.021 0.000 1.282 640 L HN -0.192 nan 8.230 nan 0.000 0.403 641 R N 3.829 124.295 120.500 -0.056 0.000 2.628 641 R HA 0.774 5.108 4.340 -0.009 0.000 0.288 641 R C -1.589 174.659 176.300 -0.087 0.000 0.980 641 R CA -0.799 55.257 56.100 -0.073 0.000 0.891 641 R CB 2.345 32.604 30.300 -0.067 0.000 1.188 641 R HN 0.407 nan 8.270 nan 0.000 0.450 642 V N 4.810 124.668 119.914 -0.094 0.000 2.376 642 V HA 0.490 4.605 4.120 -0.009 0.000 0.287 642 V C -0.191 175.859 176.094 -0.074 0.000 1.015 642 V CA -0.661 61.586 62.300 -0.089 0.000 0.834 642 V CB 1.554 33.319 31.823 -0.095 0.000 1.001 642 V HN 0.551 nan 8.190 nan 0.000 0.428 643 I N 4.816 125.342 120.570 -0.072 0.000 2.465 643 I HA 0.458 4.623 4.170 -0.009 0.000 0.291 643 I C -0.744 175.355 176.117 -0.030 0.000 1.014 643 I CA -0.395 60.876 61.300 -0.049 0.000 1.093 643 I CB 2.039 39.991 38.000 -0.080 0.000 1.267 643 I HN 0.567 nan 8.210 nan 0.000 0.431 644 F N 7.360 127.246 119.950 -0.106 0.000 2.391 644 F HA 0.478 5.000 4.527 -0.008 0.000 0.359 644 F C -0.684 175.051 175.800 -0.107 0.000 1.122 644 F CA -0.754 57.184 58.000 -0.103 0.000 1.120 644 F CB 0.620 39.562 39.000 -0.098 0.000 1.142 644 F HN 0.139 nan 8.300 nan 0.000 0.483 645 L N 5.952 126.783 121.223 -0.653 0.000 2.485 645 L HA 0.135 4.470 4.340 -0.009 0.000 0.279 645 L C 0.383 176.989 176.870 -0.441 0.000 1.124 645 L CA 0.216 54.797 54.840 -0.432 0.000 0.888 645 L CB -0.085 41.806 42.059 -0.280 0.000 1.217 645 L HN 0.621 nan 8.230 nan 0.000 0.464 646 E N 3.143 123.218 120.200 -0.208 0.000 2.392 646 E HA -0.038 4.307 4.350 -0.009 0.000 0.264 646 E C 0.564 177.224 176.600 0.100 0.000 1.024 646 E CA -0.159 56.268 56.400 0.045 0.000 0.903 646 E CB 0.280 29.973 29.700 -0.013 0.000 0.963 646 E HN 0.536 nan 8.360 nan 0.000 0.432 647 N N 2.517 121.346 118.700 0.216 0.000 2.725 647 N HA -0.288 4.446 4.740 -0.009 0.000 0.251 647 N C -1.511 174.105 175.510 0.177 0.000 1.031 647 N CA 0.528 53.702 53.050 0.207 0.000 0.720 647 N CB -1.451 37.175 38.487 0.231 0.000 0.930 647 N HN 0.458 nan 8.380 nan 0.000 0.543 648 Y N 1.435 121.752 120.300 0.027 0.000 2.721 648 Y HA 0.147 4.691 4.550 -0.009 0.000 0.329 648 Y C 1.144 177.069 175.900 0.042 0.000 1.211 648 Y CA 0.631 58.731 58.100 0.001 0.000 1.512 648 Y CB 0.297 38.722 38.460 -0.058 0.000 1.249 648 Y HN 0.386 nan 8.280 nan 0.000 0.549 649 R N 2.411 122.590 120.500 -0.535 0.000 2.762 649 R HA 0.470 4.805 4.340 -0.009 0.000 0.271 649 R C -0.391 175.581 176.300 -0.547 0.000 1.038 649 R CA -0.607 55.256 56.100 -0.394 0.000 0.906 649 R CB 0.320 30.592 30.300 -0.046 0.000 1.259 649 R HN 0.344 nan 8.270 nan 0.000 0.457 650 V N 1.099 120.721 119.914 -0.487 0.000 2.287 650 V HA -0.291 3.824 4.120 -0.009 0.000 0.248 650 V C 2.596 178.569 176.094 -0.202 0.000 1.053 650 V CA 2.825 64.892 62.300 -0.388 0.000 1.027 650 V CB -0.810 30.733 31.823 -0.466 0.000 0.646 650 V HN 0.930 nan 8.190 nan 0.000 0.447 651 S N 0.090 115.702 115.700 -0.147 0.000 2.399 651 S HA -0.190 4.275 4.470 -0.009 0.000 0.231 651 S C 1.925 176.488 174.600 -0.062 0.000 1.022 651 S CA 1.736 59.882 58.200 -0.091 0.000 0.983 651 S CB -0.529 62.652 63.200 -0.031 0.000 0.803 651 S HN 0.401 nan 8.310 nan 0.000 0.480 652 L N 1.865 123.055 121.223 -0.054 0.000 2.131 652 L HA 0.358 4.693 4.340 -0.009 0.000 0.206 652 L C 2.655 179.539 176.870 0.023 0.000 1.087 652 L CA 1.342 56.190 54.840 0.013 0.000 0.767 652 L CB -1.261 40.862 42.059 0.107 0.000 0.917 652 L HN 0.346 nan 8.230 nan 0.000 0.441 653 A N -0.645 122.166 122.820 -0.016 0.000 1.933 653 A HA -0.229 4.086 4.320 -0.009 0.000 0.218 653 A C 2.120 179.763 177.584 0.097 0.000 1.175 653 A CA 1.805 53.910 52.037 0.113 0.000 0.628 653 A CB -0.598 18.452 19.000 0.083 0.000 0.814 653 A HN 0.599 nan 8.150 nan 0.000 0.444 654 E N -0.396 119.839 120.200 0.057 0.000 2.265 654 E HA -0.162 4.183 4.350 -0.009 0.000 0.196 654 E C 1.861 178.429 176.600 -0.054 0.000 0.996 654 E CA 1.175 57.566 56.400 -0.015 0.000 0.832 654 E CB -0.053 29.551 29.700 -0.160 0.000 0.756 654 E HN 0.630 nan 8.360 nan 0.000 0.491 655 K N 0.066 120.419 120.400 -0.077 0.000 2.141 655 K HA 0.025 4.340 4.320 -0.009 0.000 0.202 655 K C 2.163 178.587 176.600 -0.293 0.000 1.045 655 K CA 0.447 56.675 56.287 -0.099 0.000 0.971 655 K CB 0.020 32.468 32.500 -0.086 0.000 0.795 655 K HN -0.047 nan 8.250 nan 0.000 0.459 656 V N 1.905 121.548 119.914 -0.451 0.000 2.488 656 V HA -0.117 3.997 4.120 -0.009 0.000 0.246 656 V C 1.881 177.730 176.094 -0.408 0.000 1.046 656 V CA 1.165 62.974 62.300 -0.819 0.000 1.053 656 V CB -0.170 31.263 31.823 -0.650 0.000 0.679 656 V HN 0.240 nan 8.190 nan 0.000 0.458 657 I N 0.694 121.081 120.570 -0.306 0.000 2.163 657 I HA -0.140 4.025 4.170 -0.009 0.000 0.243 657 I C -0.237 175.765 176.117 -0.191 0.000 1.085 657 I CA 1.692 62.740 61.300 -0.420 0.000 1.347 657 I CB -1.527 36.109 38.000 -0.608 0.000 1.044 657 I HN 0.364 nan 8.210 nan 0.000 0.408 658 P HA -0.115 nan 4.420 nan 0.000 0.222 658 P C 0.970 178.270 177.300 0.000 0.000 1.147 658 P CA 1.240 64.318 63.100 -0.036 0.000 0.790 658 P CB 0.050 31.737 31.700 -0.022 0.000 0.780 659 A N -1.240 121.563 122.820 -0.028 0.000 2.275 659 A HA 0.466 4.781 4.320 -0.009 0.000 0.212 659 A C 1.164 178.864 177.584 0.193 0.000 1.201 659 A CA 0.110 52.190 52.037 0.073 0.000 0.843 659 A CB -0.640 18.406 19.000 0.076 0.000 0.873 659 A HN 0.191 nan 8.150 nan 0.000 0.492 660 A N -0.135 122.793 122.820 0.179 0.000 2.340 660 A HA 0.480 4.794 4.320 -0.009 0.000 0.268 660 A C 0.352 178.089 177.584 0.256 0.000 1.100 660 A CA -0.137 52.069 52.037 0.282 0.000 0.803 660 A CB 0.362 19.622 19.000 0.433 0.000 1.043 660 A HN 0.263 nan 8.150 nan 0.000 0.488 661 D N 0.314 120.862 120.400 0.246 0.000 2.431 661 D HA 0.132 4.767 4.640 -0.009 0.000 0.235 661 D C 0.025 176.542 176.300 0.362 0.000 0.980 661 D CA 0.698 54.892 54.000 0.325 0.000 0.912 661 D CB 0.277 41.179 40.800 0.169 0.000 1.056 661 D HN 0.364 nan 8.370 nan 0.000 0.494 662 L N 1.135 122.452 121.223 0.157 0.000 2.356 662 L HA 0.306 4.641 4.340 -0.009 0.000 0.277 662 L C -0.783 175.963 176.870 -0.207 0.000 0.996 662 L CA -0.303 54.550 54.840 0.021 0.000 0.822 662 L CB 2.051 44.100 42.059 -0.016 0.000 1.256 662 L HN -0.173 nan 8.230 nan 0.000 0.413 663 S N 4.191 119.684 115.700 -0.345 0.000 2.429 663 S HA 0.323 4.788 4.470 -0.009 0.000 0.302 663 S C -0.408 173.923 174.600 -0.449 0.000 1.115 663 S CA -0.677 57.078 58.200 -0.741 0.000 1.095 663 S CB 0.645 63.375 63.200 -0.784 0.000 0.987 663 S HN 0.547 nan 8.310 nan 0.000 0.474 664 E N 4.120 124.062 120.200 -0.430 0.000 2.089 664 E HA 0.214 4.559 4.350 -0.009 0.000 0.284 664 E C -0.581 175.909 176.600 -0.182 0.000 1.023 664 E CA -0.437 55.837 56.400 -0.210 0.000 0.819 664 E CB 1.014 30.617 29.700 -0.162 0.000 1.076 664 E HN 0.586 nan 8.360 nan 0.000 0.396 665 Q N 2.752 122.502 119.800 -0.084 0.000 2.907 665 Q HA 0.270 4.605 4.340 -0.009 0.000 0.262 665 Q C 0.572 176.566 176.000 -0.010 0.000 0.997 665 Q CA -0.140 55.627 55.803 -0.059 0.000 0.797 665 Q CB 0.255 28.973 28.738 -0.034 0.000 1.228 665 Q HN 0.613 nan 8.270 nan 0.000 0.466 666 I N -1.564 118.987 120.570 -0.031 0.000 3.637 666 I HA 0.285 4.450 4.170 -0.009 0.000 0.342 666 I C 0.370 176.441 176.117 -0.076 0.000 1.545 666 I CA -0.672 60.618 61.300 -0.016 0.000 1.126 666 I CB 0.335 38.332 38.000 -0.006 0.000 1.375 666 I HN -0.002 nan 8.210 nan 0.000 0.467 667 S N 0.285 115.942 115.700 -0.071 0.000 2.579 667 S HA 0.226 4.691 4.470 -0.009 0.000 0.275 667 S C 0.549 175.134 174.600 -0.024 0.000 1.345 667 S CA -0.322 57.857 58.200 -0.034 0.000 1.031 667 S CB 0.518 63.749 63.200 0.053 0.000 0.892 667 S HN 0.387 nan 8.310 nan 0.000 0.529 668 T N 2.698 117.271 114.554 0.032 0.000 2.902 668 T HA 0.396 4.740 4.350 -0.009 0.000 0.301 668 T C 0.751 175.460 174.700 0.016 0.000 1.012 668 T CA 0.219 62.343 62.100 0.039 0.000 1.151 668 T CB 0.054 69.021 68.868 0.165 0.000 0.946 668 T HN 1.012 nan 8.240 nan 0.000 0.542 669 A N 2.691 125.489 122.820 -0.036 0.000 2.580 669 A HA 0.432 4.747 4.320 -0.009 0.000 0.244 669 A C 1.648 179.223 177.584 -0.015 0.000 1.045 669 A CA 0.346 52.357 52.037 -0.043 0.000 0.761 669 A CB -0.938 18.025 19.000 -0.062 0.000 0.962 669 A HN 1.726 nan 8.150 nan 0.000 0.512 670 G N 1.417 110.205 108.800 -0.020 0.000 2.175 670 G HA2 -0.238 3.717 3.960 -0.009 0.000 0.244 670 G HA3 -0.238 3.717 3.960 -0.009 0.000 0.244 670 G C 0.850 175.730 174.900 -0.033 0.000 0.982 670 G CA 1.140 46.229 45.100 -0.018 0.000 0.641 670 G HN 2.025 nan 8.290 nan 0.000 0.527 671 T N -2.628 111.898 114.554 -0.047 0.000 3.018 671 T HA 0.408 4.753 4.350 -0.009 0.000 0.246 671 T C 0.742 175.247 174.700 -0.326 0.000 1.026 671 T CA 1.027 63.019 62.100 -0.179 0.000 1.081 671 T CB 0.556 69.354 68.868 -0.117 0.000 0.970 671 T HN 0.253 nan 8.240 nan 0.000 0.475 672 E N 1.663 121.810 120.200 -0.090 0.000 1.996 672 E HA 0.662 5.006 4.350 -0.009 0.000 0.280 672 E C 1.220 177.751 176.600 -0.115 0.000 1.092 672 E CA 0.075 56.469 56.400 -0.011 0.000 0.862 672 E CB 0.665 30.430 29.700 0.107 0.000 1.066 672 E HN 0.357 nan 8.360 nan 0.000 0.396 673 A N 3.397 126.070 122.820 -0.245 0.000 1.915 673 A HA -0.271 4.044 4.320 -0.009 0.000 0.220 673 A C 2.001 179.440 177.584 -0.242 0.000 1.198 673 A CA 2.475 54.227 52.037 -0.475 0.000 0.647 673 A CB -0.330 18.228 19.000 -0.737 0.000 0.825 673 A HN 0.610 nan 8.150 nan 0.000 0.456 674 S N -4.143 111.483 115.700 -0.122 0.000 3.984 674 S HA 0.453 4.918 4.470 -0.009 0.000 0.221 674 S C 0.654 175.237 174.600 -0.029 0.000 1.149 674 S CA 1.373 59.548 58.200 -0.041 0.000 0.950 674 S CB -0.068 63.133 63.200 0.002 0.000 1.216 674 S HN 2.341 nan 8.310 nan 0.000 0.547 675 G N 0.337 109.126 108.800 -0.019 0.000 2.721 675 G HA2 -0.019 3.935 3.960 -0.009 0.000 0.686 675 G HA3 -0.019 3.935 3.960 -0.009 0.000 0.686 675 G C 0.216 175.091 174.900 -0.041 0.000 1.236 675 G CA 0.443 45.531 45.100 -0.021 0.000 0.786 675 G HN 1.321 nan 8.290 nan 0.000 0.616 676 T N -1.841 112.675 114.554 -0.064 0.000 3.029 676 T HA 0.376 4.720 4.350 -0.009 0.000 0.256 676 T C 2.358 176.953 174.700 -0.174 0.000 0.914 676 T CA 1.255 63.288 62.100 -0.113 0.000 0.880 676 T CB 0.295 69.086 68.868 -0.127 0.000 1.246 676 T HN 1.890 nan 8.240 nan 0.000 0.523 677 G N 3.145 111.871 108.800 -0.123 0.000 2.442 677 G HA2 -0.263 3.692 3.960 -0.009 0.000 0.219 677 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.219 677 G C 1.461 176.402 174.900 0.068 0.000 1.141 677 G CA 1.177 46.224 45.100 -0.088 0.000 0.763 677 G HN 0.830 nan 8.290 nan 0.000 0.554 678 N N 0.207 118.934 118.700 0.045 0.000 2.094 678 N HA -0.172 4.563 4.740 -0.009 0.000 0.191 678 N C 2.213 177.729 175.510 0.011 0.000 1.023 678 N CA 1.433 54.517 53.050 0.056 0.000 0.857 678 N CB -0.374 38.097 38.487 -0.025 0.000 1.013 678 N HN 0.349 nan 8.380 nan 0.000 0.426 679 M N 0.749 120.286 119.600 -0.106 0.000 2.175 679 M HA -0.028 4.447 4.480 -0.009 0.000 0.264 679 M C 1.985 178.239 176.300 -0.076 0.000 1.063 679 M CA 1.421 56.645 55.300 -0.128 0.000 1.119 679 M CB -0.075 32.455 32.600 -0.116 0.000 1.377 679 M HN 0.122 nan 8.290 nan 0.000 0.415 680 K N 0.039 120.322 120.400 -0.196 0.000 2.057 680 K HA -0.105 4.210 4.320 -0.009 0.000 0.207 680 K C 1.712 178.194 176.600 -0.197 0.000 1.049 680 K CA 1.367 57.474 56.287 -0.301 0.000 0.931 680 K CB -0.283 31.810 32.500 -0.678 0.000 0.714 680 K HN 0.151 nan 8.250 nan 0.000 0.440 681 F N 1.159 121.048 119.950 -0.103 0.000 2.146 681 F HA -0.113 4.408 4.527 -0.009 0.000 0.298 681 F C 2.558 178.340 175.800 -0.031 0.000 1.096 681 F CA 1.192 59.156 58.000 -0.061 0.000 1.275 681 F CB -0.298 38.654 39.000 -0.080 0.000 1.008 681 F HN -0.005 nan 8.300 nan 0.000 0.480 682 M N -0.507 119.186 119.600 0.154 0.000 2.159 682 M HA -0.179 4.296 4.480 -0.009 0.000 0.263 682 M C 2.042 178.406 176.300 0.107 0.000 1.063 682 M CA 1.534 56.900 55.300 0.110 0.000 1.110 682 M CB -0.199 32.464 32.600 0.104 0.000 1.374 682 M HN 0.258 nan 8.290 nan 0.000 0.411 683 L N 0.737 122.019 121.223 0.098 0.000 2.291 683 L HA -0.042 4.293 4.340 -0.009 0.000 0.214 683 L C 1.250 178.172 176.870 0.087 0.000 1.120 683 L CA 1.540 56.444 54.840 0.107 0.000 0.799 683 L CB -0.583 41.549 42.059 0.121 0.000 0.925 683 L HN 0.339 nan 8.230 nan 0.000 0.446 684 N N -0.088 118.653 118.700 0.068 0.000 2.251 684 N HA 0.169 4.904 4.740 -0.009 0.000 0.217 684 N C 0.815 176.367 175.510 0.070 0.000 1.124 684 N CA 0.773 53.857 53.050 0.056 0.000 0.843 684 N CB 0.509 39.006 38.487 0.016 0.000 1.024 684 N HN 0.404 nan 8.380 nan 0.000 0.501 685 G N 0.529 109.377 108.800 0.080 0.000 2.142 685 G HA2 -0.198 3.757 3.960 -0.009 0.000 0.225 685 G HA3 -0.198 3.757 3.960 -0.009 0.000 0.225 685 G C -0.040 174.937 174.900 0.129 0.000 1.015 685 G CA 0.154 45.304 45.100 0.083 0.000 0.716 685 G HN 0.521 nan 8.290 nan 0.000 0.508 686 A N -0.353 122.552 122.820 0.141 0.000 2.340 686 A HA 0.892 5.207 4.320 -0.009 0.000 0.331 686 A C 0.339 177.936 177.584 0.022 0.000 1.140 686 A CA -0.668 51.470 52.037 0.168 0.000 0.801 686 A CB 1.150 20.313 19.000 0.271 0.000 1.234 686 A HN 0.684 nan 8.150 nan 0.000 0.469 687 L N 0.723 121.918 121.223 -0.048 0.000 2.421 687 L HA 0.485 4.820 4.340 -0.009 0.000 0.263 687 L C 0.157 176.889 176.870 -0.229 0.000 1.122 687 L CA -0.381 54.319 54.840 -0.232 0.000 0.804 687 L CB 1.587 43.413 42.059 -0.389 0.000 1.150 687 L HN 0.702 nan 8.230 nan 0.000 0.457 688 T N 2.423 116.708 114.554 -0.449 0.000 2.807 688 T HA 0.474 4.819 4.350 -0.009 0.000 0.279 688 T C -0.490 174.061 174.700 -0.249 0.000 0.993 688 T CA -0.270 61.550 62.100 -0.467 0.000 0.970 688 T CB 1.666 70.060 68.868 -0.789 0.000 0.950 688 T HN 0.363 nan 8.240 nan 0.000 0.441 689 I N 2.865 123.396 120.570 -0.064 0.000 2.355 689 I HA 0.728 4.892 4.170 -0.009 0.000 0.288 689 I C 0.032 176.301 176.117 0.254 0.000 0.999 689 I CA 0.065 61.447 61.300 0.138 0.000 1.163 689 I CB 0.314 38.321 38.000 0.012 0.000 1.316 689 I HN 0.792 nan 8.210 nan 0.000 0.454 690 G N 3.935 112.969 108.800 0.390 0.000 2.608 690 G HA2 0.463 4.418 3.960 -0.009 0.000 0.291 690 G HA3 0.463 4.418 3.960 -0.009 0.000 0.291 690 G C -0.938 173.912 174.900 -0.082 0.000 1.425 690 G CA -0.383 44.865 45.100 0.248 0.000 0.787 690 G HN 0.568 nan 8.290 nan 0.000 0.484 691 T N -1.485 112.888 114.554 -0.302 0.000 2.874 691 T HA 0.520 4.865 4.350 -0.009 0.000 0.281 691 T C 0.695 175.285 174.700 -0.184 0.000 0.994 691 T CA -0.694 61.145 62.100 -0.436 0.000 1.015 691 T CB 1.179 69.801 68.868 -0.409 0.000 1.028 691 T HN 0.254 nan 8.240 nan 0.000 0.523 692 M N 2.850 122.350 119.600 -0.167 0.000 3.436 692 M HA 0.323 4.798 4.480 -0.009 0.000 0.240 692 M C -0.446 175.801 176.300 -0.088 0.000 1.469 692 M CA -0.103 55.133 55.300 -0.106 0.000 1.622 692 M CB -1.735 30.809 32.600 -0.092 0.000 1.098 692 M HN 0.725 nan 8.290 nan 0.000 0.568 693 D N -0.064 120.289 120.400 -0.077 0.000 2.575 693 D HA 0.679 5.314 4.640 -0.009 0.000 0.236 693 D C 0.749 177.024 176.300 -0.042 0.000 1.075 693 D CA 0.679 54.647 54.000 -0.054 0.000 0.860 693 D CB 1.755 42.526 40.800 -0.050 0.000 1.475 693 D HN 0.596 nan 8.370 nan 0.000 0.474 694 G N 1.713 110.496 108.800 -0.029 0.000 2.627 694 G HA2 -0.267 3.688 3.960 -0.009 0.000 0.312 694 G HA3 -0.267 3.688 3.960 -0.009 0.000 0.312 694 G C 1.066 175.953 174.900 -0.022 0.000 1.299 694 G CA 1.155 46.241 45.100 -0.022 0.000 0.989 694 G HN 1.053 nan 8.290 nan 0.000 0.547 695 A N -0.405 122.397 122.820 -0.031 0.000 2.168 695 A HA 0.047 4.362 4.320 -0.009 0.000 0.215 695 A C 2.134 179.643 177.584 -0.125 0.000 1.152 695 A CA 1.966 53.975 52.037 -0.047 0.000 0.716 695 A CB -0.479 18.477 19.000 -0.072 0.000 0.794 695 A HN 0.635 nan 8.150 nan 0.000 0.465 696 N N 0.488 119.126 118.700 -0.103 0.000 2.137 696 N HA -0.152 4.582 4.740 -0.009 0.000 0.190 696 N C 1.584 176.966 175.510 -0.213 0.000 1.017 696 N CA 1.605 54.589 53.050 -0.111 0.000 0.859 696 N CB -0.629 37.847 38.487 -0.018 0.000 1.002 696 N HN 0.296 nan 8.380 nan 0.000 0.428 697 V N 1.245 121.076 119.914 -0.137 0.000 2.332 697 V HA -0.213 3.902 4.120 -0.009 0.000 0.248 697 V C 1.955 177.969 176.094 -0.132 0.000 1.055 697 V CA 1.685 63.904 62.300 -0.136 0.000 1.038 697 V CB -0.490 31.288 31.823 -0.075 0.000 0.651 697 V HN 0.358 nan 8.190 nan 0.000 0.450 698 E N -0.604 119.569 120.200 -0.046 0.000 2.152 698 E HA -0.119 4.226 4.350 -0.009 0.000 0.192 698 E C 2.212 178.903 176.600 0.151 0.000 0.983 698 E CA 0.997 57.446 56.400 0.080 0.000 0.818 698 E CB -0.173 29.664 29.700 0.229 0.000 0.758 698 E HN 0.547 nan 8.360 nan 0.000 0.467 699 M N 0.458 120.016 119.600 -0.070 0.000 2.099 699 M HA -0.125 4.349 4.480 -0.009 0.000 0.262 699 M C 2.494 178.518 176.300 -0.460 0.000 1.067 699 M CA 1.492 56.675 55.300 -0.195 0.000 1.124 699 M CB -0.171 32.187 32.600 -0.403 0.000 1.353 699 M HN 0.134 nan 8.290 nan 0.000 0.410 700 A N -0.106 122.165 122.820 -0.915 0.000 1.933 700 A HA -0.211 4.104 4.320 -0.009 0.000 0.218 700 A C 1.982 179.354 177.584 -0.353 0.000 1.175 700 A CA 1.923 53.380 52.037 -0.967 0.000 0.628 700 A CB -0.776 17.727 19.000 -0.829 0.000 0.814 700 A HN 0.578 nan 8.150 nan 0.000 0.444 701 E N -0.373 119.695 120.200 -0.220 0.000 2.077 701 E HA -0.215 4.130 4.350 -0.009 0.000 0.193 701 E C 1.821 178.387 176.600 -0.056 0.000 0.989 701 E CA 1.280 57.618 56.400 -0.104 0.000 0.800 701 E CB -0.071 29.590 29.700 -0.064 0.000 0.746 701 E HN 0.550 nan 8.360 nan 0.000 0.452 702 E N 0.077 120.270 120.200 -0.012 0.000 2.047 702 E HA -0.141 4.204 4.350 -0.009 0.000 0.191 702 E C 1.869 178.485 176.600 0.027 0.000 0.987 702 E CA 1.167 57.582 56.400 0.025 0.000 0.799 702 E CB -0.198 29.565 29.700 0.106 0.000 0.752 702 E HN 0.362 nan 8.360 nan 0.000 0.449 703 A N 0.360 123.200 122.820 0.034 0.000 2.072 703 A HA 0.330 4.645 4.320 -0.009 0.000 0.216 703 A C 1.047 178.645 177.584 0.023 0.000 1.156 703 A CA 1.107 53.182 52.037 0.062 0.000 0.701 703 A CB 0.021 19.118 19.000 0.161 0.000 0.816 703 A HN 0.260 nan 8.150 nan 0.000 0.458 704 G N -0.608 108.179 108.800 -0.022 0.000 3.067 704 G HA2 -0.081 3.874 3.960 -0.009 0.000 0.686 704 G HA3 -0.081 3.874 3.960 -0.009 0.000 0.686 704 G C -0.048 174.833 174.900 -0.032 0.000 1.119 704 G CA -0.018 45.064 45.100 -0.031 0.000 0.790 704 G HN 0.240 nan 8.290 nan 0.000 0.605 705 E N 0.912 121.082 120.200 -0.050 0.000 2.209 705 E HA -0.161 4.183 4.350 -0.009 0.000 0.196 705 E C 1.999 178.582 176.600 -0.029 0.000 0.993 705 E CA 1.731 58.110 56.400 -0.035 0.000 0.819 705 E CB 0.076 29.753 29.700 -0.038 0.000 0.745 705 E HN 0.758 nan 8.360 nan 0.000 0.477 706 E N 0.710 120.880 120.200 -0.049 0.000 2.268 706 E HA -0.086 4.258 4.350 -0.009 0.000 0.195 706 E C 0.984 177.490 176.600 -0.157 0.000 0.995 706 E CA 0.622 56.970 56.400 -0.087 0.000 0.836 706 E CB -0.020 29.642 29.700 -0.062 0.000 0.763 706 E HN 0.155 nan 8.360 nan 0.000 0.491 707 N N -0.373 118.266 118.700 -0.101 0.000 2.251 707 N HA 0.141 4.876 4.740 -0.009 0.000 0.217 707 N C -0.933 174.495 175.510 -0.138 0.000 1.124 707 N CA 0.096 53.060 53.050 -0.143 0.000 0.843 707 N CB 0.378 38.841 38.487 -0.040 0.000 1.024 707 N HN 0.049 nan 8.380 nan 0.000 0.501 708 F N -0.438 119.285 119.950 -0.379 0.000 2.588 708 F HA 0.413 4.934 4.527 -0.010 0.000 0.314 708 F C -0.800 174.749 175.800 -0.419 0.000 1.069 708 F CA -1.117 56.696 58.000 -0.312 0.000 0.931 708 F CB 1.347 40.265 39.000 -0.136 0.000 1.260 708 F HN -0.225 nan 8.300 nan 0.000 0.465 709 F N 4.841 124.788 119.950 -0.004 0.000 2.318 709 F HA 0.424 4.946 4.527 -0.009 0.000 0.356 709 F C -0.435 175.493 175.800 0.214 0.000 1.109 709 F CA -0.554 57.481 58.000 0.059 0.000 1.234 709 F CB -0.058 38.917 39.000 -0.042 0.000 1.545 709 F HN 0.020 nan 8.300 nan 0.000 0.534 710 I N 3.706 124.479 120.570 0.338 0.000 2.472 710 I HA 0.432 4.597 4.170 -0.009 0.000 0.290 710 I C -0.104 176.208 176.117 0.324 0.000 1.016 710 I CA -0.518 60.949 61.300 0.279 0.000 1.348 710 I CB 0.550 38.633 38.000 0.138 0.000 1.417 710 I HN 0.347 nan 8.210 nan 0.000 0.521 711 F N 2.496 122.510 119.950 0.108 0.000 2.779 711 F HA 0.894 5.415 4.527 -0.009 0.000 0.316 711 F C 0.011 175.852 175.800 0.068 0.000 1.164 711 F CA -0.655 57.399 58.000 0.090 0.000 0.924 711 F CB 0.737 39.804 39.000 0.111 0.000 1.348 711 F HN 0.904 nan 8.300 nan 0.000 0.467 712 G N 0.940 109.778 108.800 0.062 0.000 2.828 712 G HA2 -0.075 3.880 3.960 -0.009 0.000 0.463 712 G HA3 -0.075 3.880 3.960 -0.009 0.000 0.463 712 G C -0.822 174.036 174.900 -0.070 0.000 1.394 712 G CA -0.551 44.515 45.100 -0.057 0.000 0.862 712 G HN 0.964 nan 8.290 nan 0.000 0.540 713 M N 0.706 120.280 119.600 -0.042 0.000 2.252 713 M HA 0.277 4.752 4.480 -0.009 0.000 0.333 713 M C 1.182 177.445 176.300 -0.063 0.000 1.111 713 M CA 0.081 55.366 55.300 -0.025 0.000 1.140 713 M CB 0.318 32.913 32.600 -0.007 0.000 1.538 713 M HN 0.526 nan 8.290 nan 0.000 0.448 714 R N 1.317 121.794 120.500 -0.038 0.000 2.608 714 R HA 0.327 4.662 4.340 -0.009 0.000 0.255 714 R C 1.208 177.487 176.300 -0.035 0.000 1.086 714 R CA -0.628 55.444 56.100 -0.046 0.000 1.125 714 R CB 0.121 30.402 30.300 -0.033 0.000 1.193 714 R HN 0.575 nan 8.270 nan 0.000 0.553 715 V N 1.516 121.408 119.914 -0.036 0.000 2.324 715 V HA -0.288 3.827 4.120 -0.009 0.000 0.250 715 V C 1.847 177.929 176.094 -0.019 0.000 1.060 715 V CA 2.093 64.376 62.300 -0.029 0.000 1.042 715 V CB -0.476 31.329 31.823 -0.031 0.000 0.650 715 V HN 0.635 nan 8.190 nan 0.000 0.450 716 E N 0.142 120.332 120.200 -0.016 0.000 2.110 716 E HA -0.186 4.159 4.350 -0.009 0.000 0.193 716 E C 1.974 178.577 176.600 0.004 0.000 0.988 716 E CA 1.420 57.816 56.400 -0.007 0.000 0.804 716 E CB -0.363 29.334 29.700 -0.005 0.000 0.745 716 E HN 0.649 nan 8.360 nan 0.000 0.458 717 D N -0.106 120.298 120.400 0.007 0.000 2.178 717 D HA -0.093 4.542 4.640 -0.009 0.000 0.202 717 D C 1.931 178.245 176.300 0.024 0.000 0.974 717 D CA 0.825 54.839 54.000 0.024 0.000 0.841 717 D CB 0.070 40.888 40.800 0.029 0.000 0.953 717 D HN 0.074 nan 8.370 nan 0.000 0.478 718 V N 1.932 121.847 119.914 0.002 0.000 2.358 718 V HA -0.195 3.920 4.120 -0.009 0.000 0.246 718 V C 2.009 178.103 176.094 0.000 0.000 1.047 718 V CA 1.593 63.887 62.300 -0.010 0.000 1.035 718 V CB -0.344 31.463 31.823 -0.025 0.000 0.658 718 V HN 0.045 nan 8.190 nan 0.000 0.452 719 D N -0.200 120.201 120.400 0.002 0.000 2.117 719 D HA -0.146 4.488 4.640 -0.009 0.000 0.197 719 D C 2.382 178.695 176.300 0.021 0.000 0.987 719 D CA 1.148 55.151 54.000 0.006 0.000 0.829 719 D CB -0.211 40.588 40.800 -0.000 0.000 0.961 719 D HN 0.320 nan 8.370 nan 0.000 0.460 720 R N 0.238 120.755 120.500 0.029 0.000 2.083 720 R HA -0.061 4.273 4.340 -0.009 0.000 0.237 720 R C 2.543 178.880 176.300 0.062 0.000 1.137 720 R CA 0.656 56.781 56.100 0.042 0.000 0.951 720 R CB -0.392 29.935 30.300 0.045 0.000 0.851 720 R HN 0.182 nan 8.270 nan 0.000 0.434 721 L N 0.525 121.795 121.223 0.077 0.000 2.083 721 L HA -0.225 4.109 4.340 -0.009 0.000 0.209 721 L C 1.623 178.561 176.870 0.114 0.000 1.083 721 L CA 1.329 56.242 54.840 0.122 0.000 0.752 721 L CB -0.300 41.845 42.059 0.143 0.000 0.899 721 L HN 0.270 nan 8.230 nan 0.000 0.433 722 D N -0.624 119.817 120.400 0.068 0.000 2.144 722 D HA -0.188 4.447 4.640 -0.009 0.000 0.200 722 D C 2.220 178.553 176.300 0.055 0.000 0.978 722 D CA 1.048 55.083 54.000 0.057 0.000 0.833 722 D CB -0.012 40.801 40.800 0.022 0.000 0.961 722 D HN 0.455 nan 8.370 nan 0.000 0.470 723 Q N 0.101 119.929 119.800 0.046 0.000 2.124 723 Q HA -0.101 4.234 4.340 -0.009 0.000 0.202 723 Q C 2.226 178.255 176.000 0.047 0.000 0.977 723 Q CA 0.831 56.658 55.803 0.039 0.000 0.850 723 Q CB 0.049 28.806 28.738 0.032 0.000 0.901 723 Q HN 0.156 nan 8.270 nan 0.000 0.429 724 R N -0.143 120.394 120.500 0.061 0.000 2.093 724 R HA 0.028 4.363 4.340 -0.009 0.000 0.224 724 R C -0.114 176.230 176.300 0.073 0.000 1.101 724 R CA 0.949 57.087 56.100 0.064 0.000 0.979 724 R CB 0.343 30.688 30.300 0.074 0.000 0.877 724 R HN 0.260 nan 8.270 nan 0.000 0.441 725 G N 0.033 108.892 108.800 0.099 0.000 3.438 725 G HA2 -0.230 3.724 3.960 -0.009 0.000 0.684 725 G HA3 -0.230 3.724 3.960 -0.009 0.000 0.684 725 G C -1.496 173.504 174.900 0.167 0.000 1.192 725 G CA -0.457 44.710 45.100 0.112 0.000 1.013 725 G HN 0.253 nan 8.290 nan 0.000 0.530 726 Y N 3.913 124.251 120.300 0.064 0.000 2.480 726 Y HA 0.539 5.084 4.550 -0.009 0.000 0.341 726 Y C 0.377 176.339 175.900 0.103 0.000 1.031 726 Y CA -0.921 57.235 58.100 0.093 0.000 1.295 726 Y CB 0.871 39.364 38.460 0.056 0.000 1.162 726 Y HN 0.557 nan 8.280 nan 0.000 0.523 727 N N 5.292 123.780 118.700 -0.354 0.000 2.569 727 N HA 0.264 4.998 4.740 -0.009 0.000 0.254 727 N C 0.212 175.488 175.510 -0.391 0.000 1.004 727 N CA 0.344 53.203 53.050 -0.318 0.000 0.904 727 N CB 1.515 39.942 38.487 -0.099 0.000 1.165 727 N HN 0.872 nan 8.380 nan 0.000 0.513 728 A N 3.064 125.546 122.820 -0.564 0.000 1.978 728 A HA -0.222 4.093 4.320 -0.009 0.000 0.220 728 A C 1.941 179.651 177.584 0.211 0.000 1.170 728 A CA 1.448 53.384 52.037 -0.168 0.000 0.636 728 A CB -0.358 18.468 19.000 -0.290 0.000 0.810 728 A HN 0.745 nan 8.150 nan 0.000 0.448 729 Q N 0.265 120.088 119.800 0.039 0.000 2.152 729 Q HA -0.247 4.088 4.340 -0.009 0.000 0.206 729 Q C 1.880 177.961 176.000 0.135 0.000 0.985 729 Q CA 2.384 58.229 55.803 0.070 0.000 0.863 729 Q CB -0.382 28.354 28.738 -0.003 0.000 0.904 729 Q HN 0.782 nan 8.270 nan 0.000 0.422 730 E N -1.390 118.840 120.200 0.049 0.000 2.070 730 E HA -0.250 4.095 4.350 -0.009 0.000 0.197 730 E C 1.632 178.182 176.600 -0.083 0.000 1.004 730 E CA 1.585 57.945 56.400 -0.066 0.000 0.805 730 E CB -0.277 29.293 29.700 -0.217 0.000 0.744 730 E HN 0.594 nan 8.360 nan 0.000 0.451 731 Y N -1.048 119.321 120.300 0.115 0.000 2.242 731 Y HA -0.214 4.331 4.550 -0.009 0.000 0.291 731 Y C 2.228 178.131 175.900 0.005 0.000 1.137 731 Y CA 1.551 59.705 58.100 0.090 0.000 1.181 731 Y CB -0.703 37.859 38.460 0.170 0.000 0.989 731 Y HN 0.262 nan 8.280 nan 0.000 0.527 732 Y N 1.239 121.572 120.300 0.056 0.000 2.224 732 Y HA -0.248 4.296 4.550 -0.009 0.000 0.289 732 Y C 1.769 177.638 175.900 -0.052 0.000 1.146 732 Y CA 1.789 59.846 58.100 -0.072 0.000 1.182 732 Y CB -0.347 38.121 38.460 0.013 0.000 0.983 732 Y HN 0.085 nan 8.280 nan 0.000 0.524 733 D N -0.325 120.183 120.400 0.179 0.000 2.183 733 D HA -0.077 4.558 4.640 -0.009 0.000 0.203 733 D C 1.799 178.082 176.300 -0.029 0.000 0.969 733 D CA 1.020 55.066 54.000 0.076 0.000 0.842 733 D CB -0.080 40.777 40.800 0.095 0.000 0.957 733 D HN 0.483 nan 8.370 nan 0.000 0.484 734 R N 0.000 120.478 120.500 -0.036 0.000 2.312 734 R HA 0.263 4.597 4.340 -0.009 0.000 0.205 734 R C 0.446 176.722 176.300 -0.040 0.000 0.904 734 R CA 0.110 56.184 56.100 -0.042 0.000 1.052 734 R CB 1.046 31.315 30.300 -0.051 0.000 1.014 734 R HN 0.158 nan 8.270 nan 0.000 0.503 735 I N 2.089 122.616 120.570 -0.072 0.000 2.464 735 I HA 0.220 4.385 4.170 -0.009 0.000 0.277 735 I C -1.951 174.070 176.117 -0.160 0.000 1.040 735 I CA -2.371 58.889 61.300 -0.066 0.000 1.153 735 I CB 2.255 40.252 38.000 -0.006 0.000 1.274 735 I HN -0.300 nan 8.210 nan 0.000 0.469 736 P HA -0.195 nan 4.420 nan 0.000 0.215 736 P C 1.188 178.390 177.300 -0.164 0.000 1.157 736 P CA 1.511 64.519 63.100 -0.153 0.000 0.874 736 P CB 0.292 31.936 31.700 -0.093 0.000 0.790 737 E N -1.091 119.051 120.200 -0.096 0.000 2.110 737 E HA -0.183 4.162 4.350 -0.009 0.000 0.193 737 E C 1.895 178.390 176.600 -0.174 0.000 0.988 737 E CA 0.768 57.124 56.400 -0.074 0.000 0.804 737 E CB -0.623 29.104 29.700 0.046 0.000 0.745 737 E HN 0.120 nan 8.360 nan 0.000 0.458 738 L N 1.286 122.324 121.223 -0.308 0.000 2.056 738 L HA -0.131 4.204 4.340 -0.009 0.000 0.207 738 L C 2.379 178.964 176.870 -0.474 0.000 1.078 738 L CA 1.649 56.134 54.840 -0.592 0.000 0.749 738 L CB -0.343 41.235 42.059 -0.801 0.000 0.901 738 L HN -0.086 nan 8.230 nan 0.000 0.433 739 R N -0.735 119.456 120.500 -0.515 0.000 2.091 739 R HA -0.256 4.079 4.340 -0.009 0.000 0.238 739 R C 2.390 178.496 176.300 -0.324 0.000 1.136 739 R CA 2.068 57.755 56.100 -0.688 0.000 0.959 739 R CB -0.384 29.444 30.300 -0.787 0.000 0.856 739 R HN 0.648 nan 8.270 nan 0.000 0.437 740 Q N 0.463 120.121 119.800 -0.237 0.000 2.096 740 Q HA -0.185 4.149 4.340 -0.009 0.000 0.204 740 Q C 2.082 178.021 176.000 -0.102 0.000 0.982 740 Q CA 1.966 57.682 55.803 -0.146 0.000 0.850 740 Q CB -0.128 28.529 28.738 -0.136 0.000 0.901 740 Q HN 0.487 nan 8.270 nan 0.000 0.422 741 I N 0.190 120.694 120.570 -0.110 0.000 2.179 741 I HA -0.287 3.878 4.170 -0.009 0.000 0.242 741 I C 2.061 178.192 176.117 0.024 0.000 1.088 741 I CA 0.793 62.068 61.300 -0.041 0.000 1.357 741 I CB -0.243 37.703 38.000 -0.089 0.000 1.051 741 I HN 0.254 nan 8.210 nan 0.000 0.409 742 I N 0.814 121.398 120.570 0.022 0.000 2.286 742 I HA -0.264 3.900 4.170 -0.009 0.000 0.248 742 I C 2.451 178.665 176.117 0.161 0.000 1.115 742 I CA 1.598 62.985 61.300 0.144 0.000 1.392 742 I CB -0.589 37.591 38.000 0.299 0.000 1.065 742 I HN 0.215 nan 8.210 nan 0.000 0.418 743 E N -0.214 120.060 120.200 0.125 0.000 2.150 743 E HA -0.235 4.110 4.350 -0.009 0.000 0.193 743 E C 2.145 178.808 176.600 0.104 0.000 0.985 743 E CA 0.849 57.318 56.400 0.116 0.000 0.814 743 E CB -0.189 29.554 29.700 0.071 0.000 0.752 743 E HN 0.614 nan 8.360 nan 0.000 0.466 744 Q N 0.504 120.349 119.800 0.075 0.000 2.079 744 Q HA -0.100 4.234 4.340 -0.009 0.000 0.200 744 Q C 2.355 178.524 176.000 0.281 0.000 0.974 744 Q CA 0.907 56.764 55.803 0.090 0.000 0.840 744 Q CB -0.011 28.685 28.738 -0.070 0.000 0.898 744 Q HN 0.295 nan 8.270 nan 0.000 0.430 745 L N -0.060 121.339 121.223 0.293 0.000 2.027 745 L HA -0.170 4.165 4.340 -0.009 0.000 0.206 745 L C 2.425 179.476 176.870 0.301 0.000 1.074 745 L CA 0.973 56.010 54.840 0.329 0.000 0.745 745 L CB -0.349 41.822 42.059 0.187 0.000 0.898 745 L HN 0.137 nan 8.230 nan 0.000 0.433 746 S N -0.219 115.613 115.700 0.220 0.000 2.383 746 S HA -0.149 4.316 4.470 -0.009 0.000 0.227 746 S C 2.081 176.780 174.600 0.166 0.000 1.026 746 S CA 1.503 59.812 58.200 0.182 0.000 0.981 746 S CB -0.248 63.039 63.200 0.145 0.000 0.818 746 S HN 0.598 nan 8.310 nan 0.000 0.472 747 S N 0.496 116.295 115.700 0.165 0.000 2.522 747 S HA 0.301 4.766 4.470 -0.009 0.000 0.227 747 S C 1.486 176.174 174.600 0.147 0.000 0.986 747 S CA 0.710 58.993 58.200 0.139 0.000 0.929 747 S CB -0.170 63.106 63.200 0.126 0.000 0.769 747 S HN 0.830 nan 8.310 nan 0.000 0.529 748 G N 0.585 109.505 108.800 0.201 0.000 2.131 748 G HA2 -0.290 3.665 3.960 -0.009 0.000 0.223 748 G HA3 -0.290 3.665 3.960 -0.009 0.000 0.223 748 G C 0.215 175.207 174.900 0.153 0.000 0.990 748 G CA 0.114 45.323 45.100 0.182 0.000 0.671 748 G HN 0.530 nan 8.290 nan 0.000 0.521 749 F N 0.441 120.394 119.950 0.005 0.000 2.161 749 F HA 0.150 4.671 4.527 -0.009 0.000 0.300 749 F C 1.815 177.426 175.800 -0.316 0.000 1.089 749 F CA 2.016 59.898 58.000 -0.196 0.000 1.282 749 F CB -0.079 38.720 39.000 -0.336 0.000 1.010 749 F HN 0.166 nan 8.300 nan 0.000 0.485 750 F N -0.277 119.818 119.950 0.241 0.000 2.693 750 F HA 0.207 4.728 4.527 -0.009 0.000 0.303 750 F C 0.687 176.593 175.800 0.176 0.000 1.097 750 F CA 0.303 58.393 58.000 0.150 0.000 1.330 750 F CB -0.128 38.964 39.000 0.154 0.000 1.067 750 F HN -0.004 nan 8.300 nan 0.000 0.565 751 S N -2.118 113.732 115.700 0.250 0.000 2.605 751 S HA 0.313 4.777 4.470 -0.009 0.000 0.142 751 S C -2.438 172.186 174.600 0.040 0.000 1.452 751 S CA -1.018 57.264 58.200 0.137 0.000 1.240 751 S CB 0.809 64.065 63.200 0.093 0.000 1.538 751 S HN -0.180 nan 8.310 nan 0.000 0.394 752 P HA -0.176 nan 4.420 nan 0.000 0.214 752 P C 1.304 178.593 177.300 -0.018 0.000 1.169 752 P CA 1.596 64.672 63.100 -0.040 0.000 0.908 752 P CB 0.082 31.734 31.700 -0.080 0.000 0.791 753 K N -1.082 119.308 120.400 -0.017 0.000 2.211 753 K HA -0.095 4.220 4.320 -0.009 0.000 0.203 753 K C 0.690 177.288 176.600 -0.005 0.000 1.050 753 K CA 1.023 57.304 56.287 -0.010 0.000 0.945 753 K CB -0.165 32.331 32.500 -0.007 0.000 0.732 753 K HN 0.363 nan 8.250 nan 0.000 0.451 754 Q N -0.387 119.409 119.800 -0.007 0.000 2.907 754 Q HA 0.150 4.485 4.340 -0.009 0.000 0.262 754 Q C -2.337 173.655 176.000 -0.014 0.000 0.997 754 Q CA -1.590 54.204 55.803 -0.015 0.000 0.797 754 Q CB 1.575 30.295 28.738 -0.030 0.000 1.228 754 Q HN -0.081 nan 8.270 nan 0.000 0.466 755 P HA -0.247 nan 4.420 nan 0.000 0.217 755 P C 0.628 177.963 177.300 0.059 0.000 1.151 755 P CA 1.549 64.676 63.100 0.046 0.000 0.849 755 P CB 0.197 31.922 31.700 0.042 0.000 0.787 756 D N -1.389 119.029 120.400 0.031 0.000 2.388 756 D HA -0.001 4.633 4.640 -0.009 0.000 0.221 756 D C 1.555 177.852 176.300 -0.006 0.000 1.133 756 D CA -0.254 53.771 54.000 0.042 0.000 0.831 756 D CB -0.609 40.217 40.800 0.043 0.000 0.962 756 D HN 0.034 nan 8.370 nan 0.000 0.502 757 L N -0.033 121.122 121.223 -0.113 0.000 2.081 757 L HA -0.065 4.270 4.340 -0.009 0.000 0.212 757 L C 1.045 177.678 176.870 -0.395 0.000 1.080 757 L CA 1.682 56.330 54.840 -0.320 0.000 0.754 757 L CB -0.626 41.061 42.059 -0.621 0.000 0.893 757 L HN -0.010 nan 8.230 nan 0.000 0.433 758 F N -0.432 119.571 119.950 0.088 0.000 2.730 758 F HA 0.153 4.675 4.527 -0.008 0.000 0.295 758 F C 1.828 177.677 175.800 0.081 0.000 1.143 758 F CA -0.177 57.866 58.000 0.070 0.000 1.367 758 F CB -0.348 38.682 39.000 0.049 0.000 0.970 758 F HN 0.108 nan 8.300 nan 0.000 0.514 759 K N -0.309 120.203 120.400 0.187 0.000 2.097 759 K HA -0.171 4.144 4.320 -0.009 0.000 0.206 759 K C 0.920 177.617 176.600 0.162 0.000 1.049 759 K CA 1.903 58.285 56.287 0.157 0.000 0.933 759 K CB -0.242 32.328 32.500 0.115 0.000 0.717 759 K HN 0.111 nan 8.250 nan 0.000 0.442 760 D N 1.378 121.889 120.400 0.184 0.000 2.144 760 D HA -0.088 4.547 4.640 -0.009 0.000 0.199 760 D C 2.099 178.506 176.300 0.179 0.000 0.984 760 D CA 1.122 55.244 54.000 0.203 0.000 0.834 760 D CB -0.103 40.860 40.800 0.273 0.000 0.955 760 D HN 0.326 nan 8.370 nan 0.000 0.465 761 I N 0.602 121.278 120.570 0.177 0.000 2.202 761 I HA -0.207 3.958 4.170 -0.009 0.000 0.242 761 I C 2.462 178.619 176.117 0.066 0.000 1.091 761 I CA 0.615 61.984 61.300 0.116 0.000 1.368 761 I CB -0.209 37.859 38.000 0.114 0.000 1.058 761 I HN -0.123 nan 8.210 nan 0.000 0.410 762 V N 1.231 121.202 119.914 0.094 0.000 2.343 762 V HA -0.282 3.832 4.120 -0.009 0.000 0.247 762 V C 2.263 178.338 176.094 -0.032 0.000 1.051 762 V CA 2.256 64.590 62.300 0.056 0.000 1.036 762 V CB -0.942 30.942 31.823 0.101 0.000 0.654 762 V HN 0.470 nan 8.190 nan 0.000 0.451 763 N N -0.001 118.709 118.700 0.016 0.000 2.120 763 N HA -0.202 4.532 4.740 -0.009 0.000 0.188 763 N C 1.836 177.193 175.510 -0.255 0.000 1.024 763 N CA 1.820 54.870 53.050 0.001 0.000 0.852 763 N CB -0.318 38.262 38.487 0.154 0.000 1.003 763 N HN 0.325 nan 8.380 nan 0.000 0.424 764 M N -0.205 119.291 119.600 -0.174 0.000 2.086 764 M HA -0.104 4.370 4.480 -0.009 0.000 0.261 764 M C 1.530 177.629 176.300 -0.335 0.000 1.067 764 M CA 1.260 56.385 55.300 -0.292 0.000 1.116 764 M CB -0.720 31.922 32.600 0.070 0.000 1.348 764 M HN 0.202 nan 8.290 nan 0.000 0.407 765 L N 0.768 121.833 121.223 -0.263 0.000 2.042 765 L HA -0.218 4.116 4.340 -0.009 0.000 0.210 765 L C 2.450 178.954 176.870 -0.610 0.000 1.076 765 L CA 1.727 56.309 54.840 -0.431 0.000 0.749 765 L CB -0.947 40.911 42.059 -0.335 0.000 0.893 765 L HN 0.347 nan 8.230 nan 0.000 0.432 766 M N -2.085 117.208 119.600 -0.511 0.000 2.334 766 M HA -0.053 4.422 4.480 -0.009 0.000 0.266 766 M C 1.775 177.623 176.300 -0.754 0.000 1.082 766 M CA 1.332 56.256 55.300 -0.626 0.000 1.141 766 M CB -0.761 31.388 32.600 -0.752 0.000 1.380 766 M HN 0.332 nan 8.290 nan 0.000 0.440 767 H N -1.692 117.181 119.070 -0.328 0.000 3.017 767 H HA 0.199 4.750 4.556 -0.009 0.000 0.255 767 H C 0.033 175.257 175.328 -0.173 0.000 0.990 767 H CA 0.597 56.495 56.048 -0.251 0.000 1.205 767 H CB 0.287 29.953 29.762 -0.160 0.000 1.460 767 H HN 0.551 nan 8.280 nan 0.000 0.478 768 H N -1.238 117.881 119.070 0.082 0.000 2.823 768 H HA 0.258 4.809 4.556 -0.009 0.000 0.222 768 H C -1.185 174.162 175.328 0.032 0.000 1.414 768 H CA -0.652 55.435 56.048 0.066 0.000 1.289 768 H CB -0.051 29.753 29.762 0.069 0.000 1.970 768 H HN -0.116 nan 8.280 nan 0.000 0.517 769 D N 1.387 121.814 120.400 0.044 0.000 2.411 769 D HA 0.145 4.780 4.640 -0.009 0.000 0.225 769 D C 0.850 177.101 176.300 -0.082 0.000 1.156 769 D CA -0.469 53.535 54.000 0.007 0.000 0.874 769 D CB 0.741 41.519 40.800 -0.037 0.000 1.034 769 D HN 0.463 nan 8.370 nan 0.000 0.502 770 R N 2.340 122.694 120.500 -0.243 0.000 2.285 770 R HA -0.022 4.313 4.340 -0.009 0.000 0.213 770 R C 0.547 176.338 176.300 -0.850 0.000 1.068 770 R CA 0.783 56.534 56.100 -0.581 0.000 1.004 770 R CB 0.115 29.901 30.300 -0.857 0.000 0.873 770 R HN 0.401 nan 8.270 nan 0.000 0.467 771 F N 0.593 120.512 119.950 -0.050 0.000 2.639 771 F HA 0.256 4.778 4.527 -0.009 0.000 0.302 771 F C 0.052 175.735 175.800 -0.195 0.000 1.097 771 F CA -0.758 57.195 58.000 -0.077 0.000 1.294 771 F CB 0.106 39.123 39.000 0.028 0.000 1.027 771 F HN -0.247 nan 8.300 nan 0.000 0.550 772 K N -0.286 119.917 120.400 -0.329 0.000 3.311 772 K HA -0.190 4.124 4.320 -0.009 0.000 0.270 772 K C 1.053 177.537 176.600 -0.193 0.000 0.927 772 K CA 0.162 56.085 56.287 -0.605 0.000 0.706 772 K CB -1.729 30.316 32.500 -0.757 0.000 1.418 772 K HN 0.220 nan 8.250 nan 0.000 0.459 773 V N 0.107 119.988 119.914 -0.054 0.000 2.255 773 V HA -0.290 3.825 4.120 -0.009 0.000 0.247 773 V C 1.974 178.211 176.094 0.239 0.000 1.051 773 V CA 2.286 64.633 62.300 0.079 0.000 1.018 773 V CB -0.499 31.373 31.823 0.082 0.000 0.641 773 V HN 0.524 nan 8.190 nan 0.000 0.445 774 F N 0.287 120.239 119.950 0.003 0.000 2.161 774 F HA -0.222 4.300 4.527 -0.009 0.000 0.300 774 F C 2.545 178.142 175.800 -0.339 0.000 1.089 774 F CA 0.694 58.644 58.000 -0.083 0.000 1.282 774 F CB -0.434 38.524 39.000 -0.069 0.000 1.010 774 F HN 0.205 nan 8.300 nan 0.000 0.485 775 A N -0.435 122.220 122.820 -0.275 0.000 2.024 775 A HA -0.211 4.104 4.320 -0.009 0.000 0.220 775 A C 1.479 179.060 177.584 -0.005 0.000 1.164 775 A CA 2.003 53.804 52.037 -0.392 0.000 0.643 775 A CB -0.472 18.424 19.000 -0.173 0.000 0.806 775 A HN 0.258 nan 8.150 nan 0.000 0.451 776 D N -2.960 117.497 120.400 0.095 0.000 2.398 776 D HA 0.095 4.730 4.640 -0.009 0.000 0.210 776 D C 1.141 177.613 176.300 0.287 0.000 1.094 776 D CA -0.074 54.056 54.000 0.216 0.000 0.839 776 D CB -0.114 40.821 40.800 0.224 0.000 0.963 776 D HN 0.590 nan 8.370 nan 0.000 0.506 777 Y N 2.137 122.527 120.300 0.150 0.000 2.097 777 Y HA -0.238 4.307 4.550 -0.008 0.000 0.282 777 Y C 2.132 178.125 175.900 0.156 0.000 1.152 777 Y CA 1.925 60.123 58.100 0.164 0.000 1.136 777 Y CB 0.189 38.709 38.460 0.099 0.000 0.975 777 Y HN -0.106 nan 8.280 nan 0.000 0.498 778 E N -0.074 120.190 120.200 0.107 0.000 2.038 778 E HA -0.274 4.071 4.350 -0.009 0.000 0.195 778 E C 2.228 178.798 176.600 -0.051 0.000 1.000 778 E CA 1.601 57.989 56.400 -0.020 0.000 0.803 778 E CB -0.203 29.590 29.700 0.155 0.000 0.750 778 E HN 0.612 nan 8.360 nan 0.000 0.448 779 E N -0.450 119.800 120.200 0.085 0.000 2.150 779 E HA -0.198 4.146 4.350 -0.009 0.000 0.193 779 E C 1.862 178.469 176.600 0.010 0.000 0.985 779 E CA 0.625 57.097 56.400 0.120 0.000 0.814 779 E CB -0.046 29.814 29.700 0.266 0.000 0.752 779 E HN 0.247 nan 8.360 nan 0.000 0.466 780 Y N 0.733 120.867 120.300 -0.276 0.000 2.133 780 Y HA -0.217 4.328 4.550 -0.009 0.000 0.287 780 Y C 2.050 177.551 175.900 -0.665 0.000 1.134 780 Y CA 1.144 58.745 58.100 -0.832 0.000 1.133 780 Y CB -0.558 37.489 38.460 -0.688 0.000 0.987 780 Y HN -0.177 nan 8.280 nan 0.000 0.502 781 V N 0.498 120.051 119.914 -0.601 0.000 2.332 781 V HA -0.311 3.804 4.120 -0.009 0.000 0.248 781 V C 2.350 178.203 176.094 -0.401 0.000 1.055 781 V CA 2.352 64.310 62.300 -0.570 0.000 1.038 781 V CB -0.672 30.848 31.823 -0.504 0.000 0.651 781 V HN 0.208 nan 8.190 nan 0.000 0.450 782 K N -0.555 119.679 120.400 -0.278 0.000 2.057 782 K HA -0.172 4.143 4.320 -0.009 0.000 0.207 782 K C 2.240 178.739 176.600 -0.169 0.000 1.049 782 K CA 1.782 57.972 56.287 -0.162 0.000 0.931 782 K CB -0.981 31.475 32.500 -0.073 0.000 0.714 782 K HN 0.554 nan 8.250 nan 0.000 0.440 783 C N 0.723 119.892 119.300 -0.219 0.000 2.429 783 C HA -0.079 4.376 4.460 -0.009 0.000 0.277 783 C C 2.439 177.230 174.990 -0.332 0.000 1.262 783 C CA 0.691 59.606 59.018 -0.173 0.000 1.733 783 C CB -0.685 26.968 27.740 -0.145 0.000 2.010 783 C HN 0.468 nan 8.230 nan 0.000 0.483 784 Q N 0.484 119.946 119.800 -0.562 0.000 2.170 784 Q HA -0.176 4.159 4.340 -0.009 0.000 0.203 784 Q C 2.001 177.794 176.000 -0.346 0.000 0.976 784 Q CA 1.665 57.100 55.803 -0.614 0.000 0.858 784 Q CB -0.395 27.737 28.738 -1.010 0.000 0.907 784 Q HN 0.764 nan 8.270 nan 0.000 0.433 785 E N 0.117 120.172 120.200 -0.241 0.000 2.106 785 E HA -0.128 4.217 4.350 -0.009 0.000 0.192 785 E C 2.064 178.611 176.600 -0.089 0.000 0.984 785 E CA 0.482 56.804 56.400 -0.130 0.000 0.806 785 E CB -0.014 29.631 29.700 -0.091 0.000 0.750 785 E HN 0.264 nan 8.360 nan 0.000 0.458 786 R N 0.545 120.996 120.500 -0.081 0.000 2.120 786 R HA -0.085 4.250 4.340 -0.009 0.000 0.234 786 R C 2.414 178.699 176.300 -0.026 0.000 1.123 786 R CA 0.883 57.001 56.100 0.029 0.000 0.975 786 R CB -0.420 29.974 30.300 0.157 0.000 0.866 786 R HN 0.088 nan 8.270 nan 0.000 0.446 787 V N 0.809 120.513 119.914 -0.351 0.000 2.295 787 V HA -0.226 3.889 4.120 -0.009 0.000 0.246 787 V C 2.238 178.324 176.094 -0.014 0.000 1.049 787 V CA 1.959 63.964 62.300 -0.492 0.000 1.024 787 V CB -0.397 31.024 31.823 -0.670 0.000 0.648 787 V HN 0.282 nan 8.190 nan 0.000 0.447 788 S N 0.156 115.812 115.700 -0.073 0.000 2.382 788 S HA -0.169 4.296 4.470 -0.009 0.000 0.228 788 S C 2.185 176.840 174.600 0.092 0.000 1.027 788 S CA 1.357 59.550 58.200 -0.013 0.000 0.991 788 S CB -0.471 62.687 63.200 -0.070 0.000 0.823 788 S HN 0.652 nan 8.310 nan 0.000 0.469 789 A N 1.374 124.250 122.820 0.092 0.000 1.877 789 A HA 0.026 4.340 4.320 -0.009 0.000 0.216 789 A C 2.084 179.783 177.584 0.191 0.000 1.186 789 A CA 1.029 53.141 52.037 0.126 0.000 0.620 789 A CB -0.680 18.383 19.000 0.106 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.443 790 L N -2.004 119.392 121.223 0.289 0.000 2.141 790 L HA -0.138 4.197 4.340 -0.009 0.000 0.209 790 L C 2.445 179.604 176.870 0.483 0.000 1.094 790 L CA 1.657 56.743 54.840 0.410 0.000 0.763 790 L CB -0.407 41.990 42.059 0.564 0.000 0.908 790 L HN 0.594 nan 8.230 nan 0.000 0.437 791 Y N 0.987 121.443 120.300 0.260 0.000 2.333 791 Y HA -0.257 4.288 4.550 -0.007 0.000 0.290 791 Y C 2.387 178.217 175.900 -0.116 0.000 1.144 791 Y CA 1.561 59.535 58.100 -0.210 0.000 1.228 791 Y CB -0.051 38.071 38.460 -0.564 0.000 0.985 791 Y HN 0.062 nan 8.280 nan 0.000 0.542 792 K N -0.124 120.316 120.400 0.066 0.000 2.442 792 K HA -0.117 4.198 4.320 -0.009 0.000 0.198 792 K C 0.398 176.982 176.600 -0.026 0.000 1.042 792 K CA 0.665 56.972 56.287 0.033 0.000 0.958 792 K CB -0.063 32.504 32.500 0.112 0.000 0.766 792 K HN 0.056 nan 8.250 nan 0.000 0.474 793 N N 0.489 119.189 118.700 0.000 0.000 2.976 793 N HA 0.130 4.865 4.740 -0.009 0.000 0.255 793 N C -2.445 173.064 175.510 -0.002 0.000 1.312 793 N CA -2.097 50.959 53.050 0.011 0.000 0.897 793 N CB 1.104 39.631 38.487 0.067 0.000 1.184 793 N HN -0.186 nan 8.380 nan 0.000 0.497 794 P HA -0.238 nan 4.420 nan 0.000 0.219 794 P C 1.403 178.705 177.300 0.003 0.000 1.158 794 P CA 1.396 64.411 63.100 -0.142 0.000 0.895 794 P CB 0.329 31.926 31.700 -0.171 0.000 0.792 795 R N -0.210 120.297 120.500 0.011 0.000 2.073 795 R HA -0.159 4.176 4.340 -0.009 0.000 0.234 795 R C 1.981 178.324 176.300 0.072 0.000 1.134 795 R CA 1.468 57.589 56.100 0.035 0.000 0.952 795 R CB -0.382 29.931 30.300 0.021 0.000 0.850 795 R HN 0.113 nan 8.270 nan 0.000 0.433 796 E N -0.128 120.126 120.200 0.089 0.000 2.152 796 E HA -0.206 4.139 4.350 -0.009 0.000 0.192 796 E C 1.602 178.284 176.600 0.137 0.000 0.983 796 E CA 0.580 57.037 56.400 0.095 0.000 0.818 796 E CB -0.389 29.364 29.700 0.089 0.000 0.758 796 E HN 0.527 nan 8.360 nan 0.000 0.467 797 W N 2.262 123.562 121.300 -0.000 0.000 2.355 797 W HA -0.154 4.500 4.660 -0.010 0.000 0.309 797 W C 1.561 178.089 176.519 0.016 0.000 1.206 797 W CA 1.962 59.323 57.345 0.027 0.000 1.284 797 W CB -0.444 29.006 29.460 -0.017 0.000 1.145 797 W HN 0.008 nan 8.180 nan 0.000 0.502 798 T N 1.394 116.114 114.554 0.277 0.000 2.788 798 T HA -0.177 4.168 4.350 -0.009 0.000 0.268 798 T C 1.859 176.586 174.700 0.045 0.000 1.044 798 T CA 1.776 63.967 62.100 0.150 0.000 1.139 798 T CB -0.276 68.650 68.868 0.096 0.000 0.867 798 T HN 0.181 nan 8.240 nan 0.000 0.454 799 R N 0.425 120.952 120.500 0.045 0.000 2.092 799 R HA 0.109 4.444 4.340 -0.009 0.000 0.231 799 R C 2.498 178.796 176.300 -0.002 0.000 1.119 799 R CA 1.133 57.255 56.100 0.037 0.000 0.970 799 R CB -0.336 29.989 30.300 0.042 0.000 0.864 799 R HN 0.369 nan 8.270 nan 0.000 0.440 800 M N 0.545 120.109 119.600 -0.060 0.000 2.175 800 M HA -0.128 4.347 4.480 -0.009 0.000 0.264 800 M C 1.917 178.138 176.300 -0.132 0.000 1.063 800 M CA 1.336 56.562 55.300 -0.123 0.000 1.119 800 M CB 0.186 32.651 32.600 -0.224 0.000 1.377 800 M HN -0.024 nan 8.290 nan 0.000 0.415 801 V N 0.958 120.781 119.914 -0.152 0.000 2.287 801 V HA -0.315 3.800 4.120 -0.009 0.000 0.248 801 V C 2.229 178.317 176.094 -0.010 0.000 1.053 801 V CA 2.033 64.273 62.300 -0.099 0.000 1.027 801 V CB -0.608 31.190 31.823 -0.042 0.000 0.646 801 V HN 0.515 nan 8.190 nan 0.000 0.447 802 I N -0.610 119.974 120.570 0.024 0.000 2.264 802 I HA -0.265 3.900 4.170 -0.009 0.000 0.248 802 I C 2.693 178.863 176.117 0.089 0.000 1.111 802 I CA 1.544 62.902 61.300 0.097 0.000 1.382 802 I CB -0.432 37.671 38.000 0.172 0.000 1.060 802 I HN 0.223 nan 8.210 nan 0.000 0.418 803 R N 0.419 120.949 120.500 0.050 0.000 2.148 803 R HA -0.099 4.236 4.340 -0.009 0.000 0.227 803 R C 2.014 178.349 176.300 0.058 0.000 1.103 803 R CA 1.035 57.162 56.100 0.045 0.000 0.983 803 R CB -0.309 30.001 30.300 0.016 0.000 0.874 803 R HN 0.528 nan 8.270 nan 0.000 0.451 804 N N 0.565 119.296 118.700 0.051 0.000 2.148 804 N HA -0.057 4.677 4.740 -0.009 0.000 0.186 804 N C 1.953 177.528 175.510 0.108 0.000 1.031 804 N CA 1.004 54.108 53.050 0.090 0.000 0.848 804 N CB 0.012 38.528 38.487 0.048 0.000 1.005 804 N HN 0.106 nan 8.380 nan 0.000 0.427 805 I N 1.718 122.341 120.570 0.088 0.000 2.208 805 I HA -0.257 3.908 4.170 -0.009 0.000 0.245 805 I C 2.453 178.626 176.117 0.093 0.000 1.097 805 I CA 0.994 62.350 61.300 0.094 0.000 1.363 805 I CB -0.364 37.686 38.000 0.083 0.000 1.051 805 I HN 0.095 nan 8.210 nan 0.000 0.413 806 A N 0.335 123.208 122.820 0.089 0.000 2.070 806 A HA -0.170 4.145 4.320 -0.009 0.000 0.220 806 A C 2.060 179.682 177.584 0.063 0.000 1.159 806 A CA 2.085 54.164 52.037 0.069 0.000 0.656 806 A CB -0.860 18.183 19.000 0.071 0.000 0.800 806 A HN 0.551 nan 8.150 nan 0.000 0.453 807 T N -2.968 111.638 114.554 0.086 0.000 3.174 807 T HA 0.206 4.551 4.350 -0.009 0.000 0.269 807 T C 1.083 175.868 174.700 0.142 0.000 1.017 807 T CA 0.599 62.751 62.100 0.085 0.000 0.899 807 T CB -0.162 68.755 68.868 0.082 0.000 1.077 807 T HN 0.471 nan 8.240 nan 0.000 0.552 808 S N 0.004 115.809 115.700 0.175 0.000 2.593 808 S HA 0.256 4.721 4.470 -0.009 0.000 0.217 808 S C 2.225 176.939 174.600 0.190 0.000 0.966 808 S CA 0.261 58.642 58.200 0.303 0.000 0.914 808 S CB -0.596 62.765 63.200 0.269 0.000 0.776 808 S HN 0.520 nan 8.310 nan 0.000 0.523 809 G N 2.817 111.656 108.800 0.065 0.000 2.505 809 G HA2 -0.321 3.634 3.960 -0.009 0.000 0.220 809 G HA3 -0.321 3.634 3.960 -0.009 0.000 0.220 809 G C 1.323 176.160 174.900 -0.104 0.000 1.145 809 G CA 1.128 46.234 45.100 0.009 0.000 0.761 809 G HN 0.611 nan 8.290 nan 0.000 0.571 810 K N -0.110 120.103 120.400 -0.311 0.000 2.281 810 K HA -0.037 4.278 4.320 -0.009 0.000 0.203 810 K C 1.226 177.468 176.600 -0.597 0.000 1.046 810 K CA 0.731 56.700 56.287 -0.530 0.000 0.938 810 K CB -0.274 31.744 32.500 -0.804 0.000 0.737 810 K HN 0.419 nan 8.250 nan 0.000 0.458 811 F N 0.961 120.938 119.950 0.046 0.000 2.663 811 F HA 0.120 4.641 4.527 -0.009 0.000 0.299 811 F C 0.769 176.613 175.800 0.073 0.000 1.143 811 F CA -0.584 57.450 58.000 0.057 0.000 1.387 811 F CB 0.383 39.413 39.000 0.050 0.000 1.019 811 F HN -0.112 nan 8.300 nan 0.000 0.523 812 S N 0.233 116.008 115.700 0.125 0.000 2.545 812 S HA 0.097 4.561 4.470 -0.009 0.000 0.275 812 S C 1.405 176.084 174.600 0.133 0.000 1.299 812 S CA -0.306 57.970 58.200 0.126 0.000 1.048 812 S CB 0.905 64.149 63.200 0.073 0.000 0.938 812 S HN 0.330 nan 8.310 nan 0.000 0.496 813 S N 3.310 119.116 115.700 0.176 0.000 2.500 813 S HA -0.087 4.377 4.470 -0.009 0.000 0.239 813 S C 0.940 175.597 174.600 0.095 0.000 0.989 813 S CA 0.756 59.083 58.200 0.212 0.000 0.951 813 S CB -0.362 63.038 63.200 0.332 0.000 0.759 813 S HN 0.793 nan 8.310 nan 0.000 0.523 814 D N 1.823 122.262 120.400 0.065 0.000 2.144 814 D HA -0.070 4.564 4.640 -0.009 0.000 0.200 814 D C 2.113 178.418 176.300 0.007 0.000 0.978 814 D CA 0.741 54.757 54.000 0.025 0.000 0.833 814 D CB -0.307 40.505 40.800 0.019 0.000 0.961 814 D HN 0.287 nan 8.370 nan 0.000 0.470 815 R N 0.858 121.364 120.500 0.009 0.000 2.066 815 R HA -0.081 4.254 4.340 -0.009 0.000 0.232 815 R C 1.864 178.154 176.300 -0.017 0.000 1.131 815 R CA 1.359 57.449 56.100 -0.016 0.000 0.955 815 R CB -0.794 29.482 30.300 -0.039 0.000 0.851 815 R HN 0.109 nan 8.270 nan 0.000 0.432 816 T N 2.279 116.845 114.554 0.021 0.000 2.652 816 T HA -0.123 4.222 4.350 -0.009 0.000 0.267 816 T C 1.927 176.627 174.700 -0.000 0.000 1.039 816 T CA 1.419 63.548 62.100 0.047 0.000 1.153 816 T CB -0.134 68.840 68.868 0.176 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.428 817 I N 1.668 122.167 120.570 -0.119 0.000 2.286 817 I HA -0.092 4.073 4.170 -0.009 0.000 0.248 817 I C 2.894 178.967 176.117 -0.072 0.000 1.115 817 I CA 0.906 62.104 61.300 -0.170 0.000 1.392 817 I CB -1.627 36.278 38.000 -0.159 0.000 1.065 817 I HN 0.197 nan 8.210 nan 0.000 0.418 818 A N 0.192 122.986 122.820 -0.044 0.000 1.933 818 A HA -0.231 4.084 4.320 -0.009 0.000 0.218 818 A C 2.257 179.795 177.584 -0.077 0.000 1.175 818 A CA 1.395 53.413 52.037 -0.033 0.000 0.628 818 A CB -0.536 18.450 19.000 -0.024 0.000 0.814 818 A HN 0.499 nan 8.150 nan 0.000 0.444 819 Q N -1.894 117.841 119.800 -0.110 0.000 2.079 819 Q HA -0.158 4.177 4.340 -0.009 0.000 0.200 819 Q C 1.926 177.749 176.000 -0.295 0.000 0.974 819 Q CA 1.598 57.294 55.803 -0.178 0.000 0.840 819 Q CB -0.296 28.325 28.738 -0.195 0.000 0.898 819 Q HN 0.816 nan 8.270 nan 0.000 0.430 820 Y N 0.558 120.560 120.300 -0.496 0.000 2.128 820 Y HA -0.280 4.265 4.550 -0.009 0.000 0.284 820 Y C 2.457 177.760 175.900 -0.995 0.000 1.154 820 Y CA 1.283 58.830 58.100 -0.921 0.000 1.149 820 Y CB -0.423 37.177 38.460 -1.433 0.000 0.976 820 Y HN 0.156 nan 8.280 nan 0.000 0.505 821 A N 0.346 122.917 122.820 -0.416 0.000 1.865 821 A HA -0.229 4.086 4.320 -0.009 0.000 0.217 821 A C 2.259 179.851 177.584 0.013 0.000 1.191 821 A CA 2.083 54.132 52.037 0.020 0.000 0.623 821 A CB -0.550 18.542 19.000 0.155 0.000 0.826 821 A HN 0.426 nan 8.150 nan 0.000 0.444 822 R N -0.584 119.886 120.500 -0.050 0.000 2.075 822 R HA -0.029 4.306 4.340 -0.009 0.000 0.226 822 R C 1.780 178.053 176.300 -0.044 0.000 1.114 822 R CA 1.413 57.497 56.100 -0.026 0.000 0.972 822 R CB -0.222 30.059 30.300 -0.033 0.000 0.869 822 R HN 0.672 nan 8.270 nan 0.000 0.437 823 E N -0.286 119.847 120.200 -0.112 0.000 2.447 823 E HA 0.085 4.430 4.350 -0.009 0.000 0.195 823 E C 1.436 177.983 176.600 -0.089 0.000 1.028 823 E CA 0.480 56.819 56.400 -0.102 0.000 0.876 823 E CB 0.500 30.112 29.700 -0.147 0.000 0.885 823 E HN 0.332 nan 8.360 nan 0.000 0.500 824 I N -1.205 119.279 120.570 -0.142 0.000 3.878 824 I HA 0.024 4.189 4.170 -0.009 0.000 0.273 824 I C 1.304 177.555 176.117 0.224 0.000 1.165 824 I CA -0.088 61.189 61.300 -0.038 0.000 1.360 824 I CB 0.235 38.074 38.000 -0.268 0.000 1.539 824 I HN 0.106 nan 8.210 nan 0.000 0.447 825 W N 1.684 123.081 121.300 0.161 0.000 2.658 825 W HA 0.314 4.969 4.660 -0.009 0.000 0.263 825 W C 1.466 178.024 176.519 0.065 0.000 1.274 825 W CA 0.849 58.269 57.345 0.125 0.000 1.343 825 W CB -1.083 28.437 29.460 0.100 0.000 1.106 825 W HN 0.319 nan 8.180 nan 0.000 0.615 826 G N 1.229 110.170 108.800 0.234 0.000 2.289 826 G HA2 -0.082 3.872 3.960 -0.009 0.000 0.280 826 G HA3 -0.082 3.872 3.960 -0.009 0.000 0.280 826 G C -0.370 174.604 174.900 0.125 0.000 1.089 826 G CA 0.218 45.398 45.100 0.133 0.000 0.939 826 G HN 0.460 nan 8.290 nan 0.000 0.499 827 V N -4.215 115.790 119.914 0.152 0.000 2.925 827 V HA 0.900 5.015 4.120 -0.009 0.000 0.311 827 V C -0.411 175.743 176.094 0.099 0.000 1.104 827 V CA -1.688 60.683 62.300 0.118 0.000 0.954 827 V CB 2.350 34.255 31.823 0.137 0.000 1.022 827 V HN 0.140 nan 8.190 nan 0.000 0.427 828 E N 4.170 124.411 120.200 0.069 0.000 2.174 828 E HA 0.511 4.856 4.350 -0.009 0.000 0.282 828 E C -2.464 174.172 176.600 0.059 0.000 0.992 828 E CA -1.763 54.670 56.400 0.055 0.000 0.803 828 E CB 1.854 31.578 29.700 0.041 0.000 1.090 828 E HN 0.770 nan 8.360 nan 0.000 0.396 829 P HA 0.105 nan 4.420 nan 0.000 0.272 829 P C -0.501 176.827 177.300 0.047 0.000 1.230 829 P CA -0.334 62.799 63.100 0.056 0.000 0.788 829 P CB 1.042 32.770 31.700 0.047 0.000 0.949 830 S N 0.832 116.562 115.700 0.049 0.000 2.548 830 S HA 0.348 4.813 4.470 -0.009 0.000 0.276 830 S C 0.195 174.819 174.600 0.041 0.000 1.129 830 S CA -0.778 57.450 58.200 0.045 0.000 0.931 830 S CB 0.992 64.225 63.200 0.056 0.000 1.068 830 S HN 0.291 nan 8.310 nan 0.000 0.480 831 R N 2.652 123.172 120.500 0.033 0.000 2.586 831 R HA 0.211 4.546 4.340 -0.009 0.000 0.306 831 R C -0.286 176.026 176.300 0.020 0.000 1.079 831 R CA -0.063 56.055 56.100 0.030 0.000 1.083 831 R CB 0.278 30.596 30.300 0.029 0.000 1.306 831 R HN 0.657 nan 8.270 nan 0.000 0.567 832 Q N 1.025 120.836 119.800 0.019 0.000 2.288 832 Q HA 0.192 4.526 4.340 -0.009 0.000 0.258 832 Q C -0.307 175.685 176.000 -0.013 0.000 0.957 832 Q CA -0.239 55.568 55.803 0.007 0.000 0.919 832 Q CB 1.300 30.048 28.738 0.016 0.000 1.185 832 Q HN -0.159 nan 8.270 nan 0.000 0.408 833 R N 1.598 122.083 120.500 -0.026 0.000 2.643 833 R HA 0.243 4.577 4.340 -0.009 0.000 0.270 833 R C -0.443 175.816 176.300 -0.069 0.000 1.061 833 R CA 0.149 56.220 56.100 -0.048 0.000 1.107 833 R CB 0.402 30.674 30.300 -0.048 0.000 0.999 833 R HN 0.493 nan 8.270 nan 0.000 0.460 834 L N 4.863 126.028 121.223 -0.097 0.000 2.343 834 L HA 0.473 4.808 4.340 -0.009 0.000 0.275 834 L C -1.816 174.995 176.870 -0.098 0.000 1.056 834 L CA -2.230 52.524 54.840 -0.143 0.000 0.804 834 L CB 1.727 43.661 42.059 -0.208 0.000 1.203 834 L HN 0.470 nan 8.230 nan 0.000 0.440 835 P HA 0.110 nan 4.420 nan 0.000 0.267 835 P C -0.903 176.369 177.300 -0.047 0.000 1.209 835 P CA -0.114 62.955 63.100 -0.052 0.000 0.763 835 P CB 1.219 32.897 31.700 -0.037 0.000 0.816 836 A N 0.000 122.800 122.820 -0.034 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486