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 3mtb_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 12 Q CB 0.000 28.700 28.738 -0.064 0.000 1.108 13 I N -0.011 120.546 120.570 -0.022 0.000 2.460 13 I HA 0.510 4.672 4.170 -0.013 0.000 0.298 13 I C 1.014 177.129 176.117 -0.003 0.000 0.989 13 I CA 0.035 61.330 61.300 -0.009 0.000 1.173 13 I CB 1.958 39.956 38.000 -0.002 0.000 1.338 13 I HN 0.260 nan 8.210 nan 0.000 0.456 14 S N 4.297 120.000 115.700 0.006 0.000 2.370 14 S HA -0.164 4.298 4.470 -0.013 0.000 0.226 14 S C 1.738 176.346 174.600 0.012 0.000 1.033 14 S CA 1.858 60.063 58.200 0.009 0.000 1.011 14 S CB -0.675 62.535 63.200 0.016 0.000 0.852 14 S HN 0.875 nan 8.310 nan 0.000 0.457 15 V N -0.306 119.622 119.914 0.023 0.000 3.078 15 V HA 0.161 4.274 4.120 -0.013 0.000 0.265 15 V C 2.083 178.188 176.094 0.019 0.000 1.122 15 V CA 1.345 63.662 62.300 0.028 0.000 1.141 15 V CB -1.135 30.712 31.823 0.040 0.000 0.735 15 V HN 0.409 nan 8.190 nan 0.000 0.498 16 R N 1.223 121.726 120.500 0.005 0.000 2.313 16 R HA 0.423 4.756 4.340 -0.013 0.000 0.199 16 R C 1.182 177.470 176.300 -0.019 0.000 0.958 16 R CA 0.563 56.658 56.100 -0.007 0.000 1.047 16 R CB -0.084 30.208 30.300 -0.014 0.000 0.955 16 R HN 0.774 nan 8.270 nan 0.000 0.481 17 G N 0.836 109.625 108.800 -0.018 0.000 2.698 17 G HA2 -0.250 3.703 3.960 -0.013 0.000 0.225 17 G HA3 -0.250 3.703 3.960 -0.013 0.000 0.225 17 G C -0.645 174.238 174.900 -0.028 0.000 1.345 17 G CA -0.982 44.099 45.100 -0.031 0.000 0.871 17 G HN 0.087 nan 8.290 nan 0.000 0.540 18 L N 0.193 121.397 121.223 -0.032 0.000 2.357 18 L HA 0.657 4.989 4.340 -0.013 0.000 0.273 18 L C 1.038 177.894 176.870 -0.025 0.000 1.080 18 L CA -0.158 54.668 54.840 -0.025 0.000 0.803 18 L CB 1.787 43.833 42.059 -0.022 0.000 1.174 18 L HN 1.231 nan 8.230 nan 0.000 0.443 19 A N 2.131 124.940 122.820 -0.018 0.000 3.150 19 A HA 0.567 4.879 4.320 -0.013 0.000 0.328 19 A C 0.359 177.940 177.584 -0.007 0.000 1.104 19 A CA -0.414 51.615 52.037 -0.014 0.000 0.937 19 A CB -0.171 18.820 19.000 -0.015 0.000 1.073 19 A HN 0.759 nan 8.150 nan 0.000 0.497 20 G N -0.370 108.426 108.800 -0.005 0.000 2.442 20 G HA2 0.353 4.305 3.960 -0.013 0.000 0.249 20 G HA3 0.353 4.305 3.960 -0.013 0.000 0.249 20 G C 1.065 175.969 174.900 0.006 0.000 1.263 20 G CA 0.234 45.334 45.100 0.000 0.000 0.846 20 G HN 0.737 nan 8.290 nan 0.000 0.555 21 V N 1.688 121.607 119.914 0.008 0.000 2.380 21 V HA -0.187 3.925 4.120 -0.013 0.000 0.251 21 V C 2.611 178.714 176.094 0.015 0.000 1.063 21 V CA 2.914 65.221 62.300 0.011 0.000 1.055 21 V CB -0.337 31.491 31.823 0.010 0.000 0.657 21 V HN 0.922 nan 8.190 nan 0.000 0.455 22 E N 0.039 120.249 120.200 0.016 0.000 2.051 22 E HA -0.217 4.125 4.350 -0.013 0.000 0.192 22 E C 2.017 178.637 176.600 0.032 0.000 0.991 22 E CA 1.877 58.290 56.400 0.022 0.000 0.799 22 E CB -0.235 29.477 29.700 0.020 0.000 0.748 22 E HN 0.674 nan 8.360 nan 0.000 0.449 23 N N -0.704 118.014 118.700 0.030 0.000 2.084 23 N HA -0.140 4.592 4.740 -0.013 0.000 0.190 23 N C 1.660 177.194 175.510 0.040 0.000 1.030 23 N CA 1.358 54.431 53.050 0.039 0.000 0.849 23 N CB -0.232 38.265 38.487 0.016 0.000 1.012 23 N HN 0.012 nan 8.380 nan 0.000 0.423 24 V N 0.235 120.164 119.914 0.025 0.000 2.343 24 V HA -0.229 3.884 4.120 -0.013 0.000 0.247 24 V C 2.067 178.179 176.094 0.030 0.000 1.051 24 V CA 1.947 64.260 62.300 0.022 0.000 1.036 24 V CB -1.007 30.824 31.823 0.015 0.000 0.654 24 V HN 0.396 nan 8.190 nan 0.000 0.451 25 T N -0.620 113.952 114.554 0.030 0.000 2.684 25 T HA -0.235 4.108 4.350 -0.013 0.000 0.267 25 T C 1.923 176.653 174.700 0.050 0.000 1.036 25 T CA 1.841 63.960 62.100 0.032 0.000 1.148 25 T CB -0.214 68.669 68.868 0.025 0.000 0.863 25 T HN 0.439 nan 8.240 nan 0.000 0.436 26 E N 0.990 121.227 120.200 0.062 0.000 2.051 26 E HA -0.019 4.324 4.350 -0.013 0.000 0.192 26 E C 2.113 178.786 176.600 0.121 0.000 0.991 26 E CA 0.908 57.358 56.400 0.084 0.000 0.799 26 E CB -0.561 29.194 29.700 0.092 0.000 0.748 26 E HN 0.428 nan 8.360 nan 0.000 0.449 27 L N 0.401 121.702 121.223 0.131 0.000 2.013 27 L HA -0.256 4.076 4.340 -0.013 0.000 0.212 27 L C 2.484 179.455 176.870 0.170 0.000 1.073 27 L CA 1.607 56.546 54.840 0.165 0.000 0.753 27 L CB -0.471 41.656 42.059 0.112 0.000 0.890 27 L HN 0.106 nan 8.230 nan 0.000 0.432 28 K N 0.046 120.506 120.400 0.099 0.000 2.063 28 K HA -0.224 4.089 4.320 -0.013 0.000 0.208 28 K C 2.226 178.917 176.600 0.152 0.000 1.048 28 K CA 1.454 57.791 56.287 0.083 0.000 0.928 28 K CB -0.095 32.416 32.500 0.018 0.000 0.713 28 K HN 0.086 nan 8.250 nan 0.000 0.442 29 K N 0.933 121.405 120.400 0.119 0.000 2.009 29 K HA -0.095 4.218 4.320 -0.013 0.000 0.210 29 K C 1.816 178.500 176.600 0.139 0.000 1.049 29 K CA 1.448 57.801 56.287 0.109 0.000 0.929 29 K CB -0.035 32.509 32.500 0.073 0.000 0.714 29 K HN 0.116 nan 8.250 nan 0.000 0.440 30 N N -0.418 118.378 118.700 0.160 0.000 2.270 30 N HA -0.135 4.597 4.740 -0.013 0.000 0.181 30 N C 1.647 177.307 175.510 0.251 0.000 1.016 30 N CA 0.820 53.962 53.050 0.154 0.000 0.870 30 N CB -0.175 38.414 38.487 0.170 0.000 0.979 30 N HN 0.112 nan 8.380 nan 0.000 0.431 31 F N 2.679 122.727 119.950 0.163 0.000 2.102 31 F HA -0.101 4.418 4.527 -0.013 0.000 0.298 31 F C 1.987 177.884 175.800 0.163 0.000 1.105 31 F CA 1.309 59.418 58.000 0.182 0.000 1.239 31 F CB -0.234 38.844 39.000 0.130 0.000 0.991 31 F HN -0.037 nan 8.300 nan 0.000 0.474 32 N N 0.428 119.355 118.700 0.377 0.000 2.188 32 N HA -0.174 4.558 4.740 -0.013 0.000 0.184 32 N C 2.061 177.645 175.510 0.123 0.000 1.018 32 N CA 1.112 54.304 53.050 0.236 0.000 0.858 32 N CB -0.530 38.072 38.487 0.191 0.000 0.989 32 N HN 0.374 nan 8.380 nan 0.000 0.426 33 R N 0.224 120.796 120.500 0.120 0.000 2.081 33 R HA -0.099 4.233 4.340 -0.013 0.000 0.235 33 R C 1.760 178.137 176.300 0.129 0.000 1.131 33 R CA 1.478 57.673 56.100 0.159 0.000 0.960 33 R CB -0.197 30.142 30.300 0.066 0.000 0.856 33 R HN 0.385 nan 8.270 nan 0.000 0.436 34 H N -0.465 118.646 119.070 0.068 0.000 2.389 34 H HA -0.106 4.442 4.556 -0.013 0.000 0.299 34 H C 1.879 177.130 175.328 -0.129 0.000 1.081 34 H CA 1.349 57.367 56.048 -0.051 0.000 1.345 34 H CB 0.103 29.791 29.762 -0.123 0.000 1.393 34 H HN 0.120 nan 8.280 nan 0.000 0.520 35 L N -0.001 121.192 121.223 -0.049 0.000 2.079 35 L HA -0.201 4.132 4.340 -0.013 0.000 0.210 35 L C 2.177 179.018 176.870 -0.049 0.000 1.081 35 L CA 1.861 56.649 54.840 -0.088 0.000 0.752 35 L CB -0.413 41.612 42.059 -0.056 0.000 0.896 35 L HN 0.311 nan 8.230 nan 0.000 0.433 36 H N -1.730 117.253 119.070 -0.146 0.000 2.266 36 H HA -0.062 4.487 4.556 -0.013 0.000 0.308 36 H C 1.834 176.974 175.328 -0.313 0.000 1.057 36 H CA 2.244 58.115 56.048 -0.295 0.000 1.330 36 H CB -0.335 29.142 29.762 -0.476 0.000 1.400 36 H HN 0.259 nan 8.280 nan 0.000 0.503 37 F N -0.258 119.683 119.950 -0.015 0.000 2.206 37 F HA -0.051 4.468 4.527 -0.013 0.000 0.298 37 F C 2.596 178.328 175.800 -0.113 0.000 1.090 37 F CA 1.452 59.401 58.000 -0.084 0.000 1.323 37 F CB -0.429 38.558 39.000 -0.022 0.000 1.028 37 F HN 0.207 nan 8.300 nan 0.000 0.492 38 T N -0.353 114.239 114.554 0.064 0.000 2.939 38 T HA 0.088 4.431 4.350 -0.013 0.000 0.254 38 T C 1.930 176.533 174.700 -0.161 0.000 1.041 38 T CA 0.790 62.854 62.100 -0.061 0.000 1.142 38 T CB -0.220 68.572 68.868 -0.127 0.000 0.874 38 T HN 0.115 nan 8.240 nan 0.000 0.452 39 L N 1.047 122.171 121.223 -0.166 0.000 2.554 39 L HA 0.213 4.545 4.340 -0.013 0.000 0.225 39 L C 0.342 177.113 176.870 -0.166 0.000 1.104 39 L CA -0.075 54.655 54.840 -0.183 0.000 0.866 39 L CB 0.173 42.128 42.059 -0.174 0.000 1.047 39 L HN -0.031 nan 8.230 nan 0.000 0.468 40 V N 0.141 119.941 119.914 -0.189 0.000 5.820 40 V HA -0.285 3.827 4.120 -0.013 0.000 0.300 40 V C -0.177 175.809 176.094 -0.181 0.000 0.585 40 V CA 0.979 63.144 62.300 -0.226 0.000 0.629 40 V CB -2.132 29.585 31.823 -0.177 0.000 0.291 40 V HN 0.356 nan 8.190 nan 0.000 0.887 41 K N 1.000 121.303 120.400 -0.162 0.000 2.443 41 K HA 0.751 5.063 4.320 -0.013 0.000 0.251 41 K C -0.463 176.107 176.600 -0.050 0.000 0.972 41 K CA -0.474 55.750 56.287 -0.104 0.000 0.833 41 K CB 1.973 34.409 32.500 -0.108 0.000 1.317 41 K HN 0.525 nan 8.250 nan 0.000 0.441 42 D N -0.675 119.717 120.400 -0.013 0.000 2.467 42 D HA 0.361 4.993 4.640 -0.013 0.000 0.245 42 D C 0.397 176.735 176.300 0.063 0.000 1.038 42 D CA -0.600 53.427 54.000 0.044 0.000 1.038 42 D CB 0.783 41.611 40.800 0.047 0.000 1.278 42 D HN 0.163 nan 8.370 nan 0.000 0.564 43 R N -0.019 120.550 120.500 0.115 0.000 2.293 43 R HA -0.029 4.303 4.340 -0.013 0.000 0.219 43 R C 0.809 177.184 176.300 0.125 0.000 1.091 43 R CA 0.694 56.902 56.100 0.179 0.000 1.004 43 R CB -0.979 29.428 30.300 0.178 0.000 0.865 43 R HN 0.602 nan 8.270 nan 0.000 0.469 44 N N -0.226 118.515 118.700 0.068 0.000 2.376 44 N HA -0.088 4.644 4.740 -0.013 0.000 0.177 44 N C 1.433 176.960 175.510 0.028 0.000 1.024 44 N CA 0.892 53.970 53.050 0.047 0.000 0.893 44 N CB 0.352 38.857 38.487 0.030 0.000 0.980 44 N HN 0.086 nan 8.380 nan 0.000 0.439 45 V N -3.193 116.725 119.914 0.007 0.000 3.556 45 V HA 0.506 4.619 4.120 -0.013 0.000 0.287 45 V C 0.624 176.681 176.094 -0.061 0.000 1.422 45 V CA -0.637 61.652 62.300 -0.019 0.000 1.038 45 V CB -0.389 31.420 31.823 -0.025 0.000 0.850 45 V HN 0.063 nan 8.190 nan 0.000 0.437 46 A N 2.509 125.269 122.820 -0.100 0.000 2.520 46 A HA 0.534 4.847 4.320 -0.013 0.000 0.245 46 A C 0.798 178.188 177.584 -0.325 0.000 1.072 46 A CA 0.831 52.700 52.037 -0.280 0.000 0.761 46 A CB -0.274 18.444 19.000 -0.470 0.000 1.004 46 A HN 0.822 nan 8.150 nan 0.000 0.499 47 T N 0.579 114.959 114.554 -0.290 0.000 2.912 47 T HA 0.524 4.867 4.350 -0.013 0.000 0.280 47 T C -2.033 172.543 174.700 -0.205 0.000 0.989 47 T CA -1.686 60.315 62.100 -0.165 0.000 0.995 47 T CB 1.053 69.882 68.868 -0.066 0.000 1.077 47 T HN 0.276 nan 8.240 nan 0.000 0.531 48 P HA -0.059 nan 4.420 nan 0.000 0.218 48 P C 1.594 178.980 177.300 0.143 0.000 1.148 48 P CA 0.840 64.039 63.100 0.166 0.000 0.822 48 P CB 0.048 31.837 31.700 0.148 0.000 0.784 49 R N 0.094 120.635 120.500 0.067 0.000 2.096 49 R HA -0.135 4.198 4.340 -0.013 0.000 0.235 49 R C 1.659 178.112 176.300 0.256 0.000 1.127 49 R CA 1.704 57.879 56.100 0.125 0.000 0.968 49 R CB -0.665 29.652 30.300 0.029 0.000 0.861 49 R HN 0.094 nan 8.270 nan 0.000 0.440 50 D N -0.305 120.142 120.400 0.078 0.000 2.123 50 D HA -0.201 4.432 4.640 -0.013 0.000 0.196 50 D C 1.703 178.033 176.300 0.049 0.000 0.992 50 D CA 1.344 55.352 54.000 0.013 0.000 0.833 50 D CB -0.293 40.378 40.800 -0.214 0.000 0.954 50 D HN 0.307 nan 8.370 nan 0.000 0.455 51 Y N 0.127 120.526 120.300 0.165 0.000 2.181 51 Y HA -0.202 4.340 4.550 -0.013 0.000 0.288 51 Y C 2.332 178.367 175.900 0.224 0.000 1.146 51 Y CA 0.245 58.483 58.100 0.231 0.000 1.164 51 Y CB -1.210 37.439 38.460 0.315 0.000 0.982 51 Y HN 0.089 nan 8.280 nan 0.000 0.515 52 Y N -0.400 120.038 120.300 0.229 0.000 2.128 52 Y HA -0.303 4.239 4.550 -0.013 0.000 0.284 52 Y C 1.997 177.890 175.900 -0.012 0.000 1.154 52 Y CA 1.406 59.543 58.100 0.061 0.000 1.149 52 Y CB -1.099 37.290 38.460 -0.117 0.000 0.976 52 Y HN 0.017 nan 8.280 nan 0.000 0.505 53 F N 0.297 120.079 119.950 -0.280 0.000 2.171 53 F HA -0.124 4.395 4.527 -0.012 0.000 0.300 53 F C 2.665 178.311 175.800 -0.257 0.000 1.090 53 F CA 1.448 59.228 58.000 -0.367 0.000 1.293 53 F CB -1.153 37.770 39.000 -0.129 0.000 1.013 53 F HN 0.202 nan 8.300 nan 0.000 0.486 54 A N -0.241 122.520 122.820 -0.099 0.000 1.902 54 A HA -0.181 4.131 4.320 -0.013 0.000 0.217 54 A C 2.115 179.571 177.584 -0.212 0.000 1.181 54 A CA 1.669 53.506 52.037 -0.333 0.000 0.623 54 A CB -1.067 17.416 19.000 -0.862 0.000 0.818 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.317 120.903 121.223 -0.005 0.000 2.056 55 L HA 0.012 4.344 4.340 -0.013 0.000 0.207 55 L C 2.664 179.551 176.870 0.029 0.000 1.078 55 L CA 2.120 57.093 54.840 0.222 0.000 0.749 55 L CB -0.961 41.299 42.059 0.334 0.000 0.901 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.150 121.532 122.820 -0.229 0.000 1.883 56 A HA -0.290 4.023 4.320 -0.013 0.000 0.217 56 A C 2.150 179.475 177.584 -0.431 0.000 1.186 56 A CA 2.054 53.871 52.037 -0.366 0.000 0.624 56 A CB -1.096 17.402 19.000 -0.835 0.000 0.822 56 A HN 0.661 nan 8.150 nan 0.000 0.444 57 H N -0.623 118.169 119.070 -0.463 0.000 2.387 57 H HA -0.061 4.487 4.556 -0.013 0.000 0.299 57 H C 2.366 177.471 175.328 -0.371 0.000 1.090 57 H CA 2.039 57.733 56.048 -0.591 0.000 1.332 57 H CB -0.371 28.743 29.762 -1.080 0.000 1.386 57 H HN 0.465 nan 8.280 nan 0.000 0.516 58 T N -0.297 114.251 114.554 -0.010 0.000 2.708 58 T HA -0.140 4.203 4.350 -0.013 0.000 0.266 58 T C 2.270 177.144 174.700 0.289 0.000 1.037 58 T CA 1.422 63.678 62.100 0.261 0.000 1.146 58 T CB -0.435 68.641 68.868 0.345 0.000 0.865 58 T HN 0.094 nan 8.240 nan 0.000 0.435 59 V N 1.958 122.005 119.914 0.221 0.000 2.358 59 V HA -0.137 3.975 4.120 -0.013 0.000 0.246 59 V C 2.647 178.910 176.094 0.282 0.000 1.047 59 V CA 1.822 64.278 62.300 0.260 0.000 1.035 59 V CB -0.666 31.305 31.823 0.246 0.000 0.658 59 V HN 0.443 nan 8.190 nan 0.000 0.452 60 R N 0.423 121.030 120.500 0.179 0.000 2.127 60 R HA -0.222 4.110 4.340 -0.013 0.000 0.238 60 R C 1.797 178.177 176.300 0.135 0.000 1.134 60 R CA 2.132 58.322 56.100 0.148 0.000 0.975 60 R CB -0.596 29.606 30.300 -0.163 0.000 0.865 60 R HN 0.422 nan 8.270 nan 0.000 0.447 61 D N 0.464 120.939 120.400 0.125 0.000 2.158 61 D HA -0.169 4.463 4.640 -0.013 0.000 0.197 61 D C 1.541 177.857 176.300 0.027 0.000 0.995 61 D CA 1.444 55.497 54.000 0.088 0.000 0.846 61 D CB -0.377 40.479 40.800 0.095 0.000 0.941 61 D HN 0.528 nan 8.370 nan 0.000 0.456 62 H N -0.614 118.512 119.070 0.093 0.000 2.521 62 H HA 0.106 4.654 4.556 -0.012 0.000 0.286 62 H C 1.957 177.320 175.328 0.058 0.000 1.034 62 H CA 0.406 56.495 56.048 0.068 0.000 1.278 62 H CB 0.041 29.837 29.762 0.056 0.000 1.386 62 H HN 0.121 nan 8.280 nan 0.000 0.567 63 L N -0.839 120.484 121.223 0.167 0.000 2.270 63 L HA -0.075 4.257 4.340 -0.013 0.000 0.210 63 L C 1.958 178.930 176.870 0.170 0.000 1.104 63 L CA 0.132 55.039 54.840 0.113 0.000 0.804 63 L CB -0.001 42.091 42.059 0.055 0.000 0.937 63 L HN 0.164 nan 8.230 nan 0.000 0.450 64 V N 0.376 120.397 119.914 0.179 0.000 2.233 64 V HA -0.254 3.859 4.120 -0.013 0.000 0.247 64 V C 2.636 178.827 176.094 0.161 0.000 1.050 64 V CA 2.238 64.664 62.300 0.210 0.000 1.010 64 V CB -1.329 30.572 31.823 0.130 0.000 0.637 64 V HN 0.558 nan 8.190 nan 0.000 0.444 65 G N -0.372 108.482 108.800 0.090 0.000 2.446 65 G HA2 -0.256 3.697 3.960 -0.013 0.000 0.217 65 G HA3 -0.256 3.697 3.960 -0.013 0.000 0.217 65 G C 1.740 176.681 174.900 0.068 0.000 1.168 65 G CA 0.876 46.010 45.100 0.056 0.000 0.771 65 G HN 0.457 nan 8.290 nan 0.000 0.551 66 R N -1.436 119.113 120.500 0.080 0.000 2.096 66 R HA -0.079 4.253 4.340 -0.013 0.000 0.235 66 R C 2.267 178.644 176.300 0.129 0.000 1.127 66 R CA 1.183 57.320 56.100 0.061 0.000 0.968 66 R CB -0.337 29.982 30.300 0.032 0.000 0.861 66 R HN 0.477 nan 8.270 nan 0.000 0.440 67 W N 1.467 122.744 121.300 -0.040 0.000 2.379 67 W HA -0.038 4.615 4.660 -0.012 0.000 0.307 67 W C 1.737 178.225 176.519 -0.051 0.000 1.200 67 W CA 0.805 58.124 57.345 -0.044 0.000 1.297 67 W CB -0.588 28.863 29.460 -0.015 0.000 1.140 67 W HN -0.040 nan 8.180 nan 0.000 0.507 68 I N 1.078 121.709 120.570 0.101 0.000 2.226 68 I HA -0.349 3.813 4.170 -0.013 0.000 0.245 68 I C 2.669 178.771 176.117 -0.024 0.000 1.100 68 I CA 2.001 63.277 61.300 -0.039 0.000 1.374 68 I CB -0.554 37.423 38.000 -0.037 0.000 1.057 68 I HN -0.015 nan 8.210 nan 0.000 0.413 69 R N 0.127 120.627 120.500 0.000 0.000 2.153 69 R HA -0.018 4.315 4.340 -0.013 0.000 0.218 69 R C 1.927 178.191 176.300 -0.060 0.000 1.072 69 R CA 1.337 57.425 56.100 -0.020 0.000 0.990 69 R CB -1.169 29.121 30.300 -0.018 0.000 0.889 69 R HN 0.182 nan 8.270 nan 0.000 0.452 70 T N 1.858 116.357 114.554 -0.091 0.000 2.652 70 T HA -0.125 4.217 4.350 -0.013 0.000 0.267 70 T C 1.846 176.301 174.700 -0.409 0.000 1.039 70 T CA 1.486 63.426 62.100 -0.267 0.000 1.153 70 T CB -0.126 68.626 68.868 -0.194 0.000 0.863 70 T HN 0.246 nan 8.240 nan 0.000 0.428 71 Q N 0.891 120.592 119.800 -0.165 0.000 2.119 71 Q HA -0.090 4.242 4.340 -0.013 0.000 0.201 71 Q C 2.332 178.345 176.000 0.022 0.000 0.972 71 Q CA 1.163 56.935 55.803 -0.052 0.000 0.847 71 Q CB -0.504 28.229 28.738 -0.008 0.000 0.903 71 Q HN 0.646 nan 8.270 nan 0.000 0.433 72 Q N -0.018 119.783 119.800 0.003 0.000 2.084 72 Q HA -0.238 4.094 4.340 -0.013 0.000 0.202 72 Q C 1.983 178.065 176.000 0.135 0.000 0.978 72 Q CA 1.682 57.526 55.803 0.068 0.000 0.844 72 Q CB -0.106 28.650 28.738 0.031 0.000 0.898 72 Q HN 0.485 nan 8.270 nan 0.000 0.426 73 H N -0.590 118.448 119.070 -0.052 0.000 2.319 73 H HA -0.199 4.350 4.556 -0.013 0.000 0.299 73 H C 1.462 176.838 175.328 0.079 0.000 1.092 73 H CA 2.429 58.452 56.048 -0.041 0.000 1.302 73 H CB -0.304 29.365 29.762 -0.155 0.000 1.373 73 H HN 0.351 nan 8.280 nan 0.000 0.497 74 Y N -1.018 119.335 120.300 0.089 0.000 2.274 74 Y HA -0.205 4.338 4.550 -0.013 0.000 0.290 74 Y C 2.465 178.393 175.900 0.046 0.000 1.145 74 Y CA 1.089 59.208 58.100 0.032 0.000 1.203 74 Y CB -1.379 37.153 38.460 0.119 0.000 0.984 74 Y HN 0.381 nan 8.280 nan 0.000 0.533 75 Y N 1.003 121.383 120.300 0.133 0.000 2.200 75 Y HA -0.190 4.352 4.550 -0.013 0.000 0.290 75 Y C 2.051 177.958 175.900 0.013 0.000 1.137 75 Y CA 1.879 60.020 58.100 0.068 0.000 1.163 75 Y CB -0.222 38.270 38.460 0.052 0.000 0.988 75 Y HN 0.173 nan 8.280 nan 0.000 0.518 76 E N -0.171 120.025 120.200 -0.007 0.000 2.072 76 E HA -0.135 4.207 4.350 -0.013 0.000 0.190 76 E C 1.982 178.486 176.600 -0.161 0.000 0.982 76 E CA 1.119 57.454 56.400 -0.107 0.000 0.803 76 E CB -0.035 29.666 29.700 0.001 0.000 0.755 76 E HN 0.391 nan 8.360 nan 0.000 0.453 77 K N 0.595 120.885 120.400 -0.182 0.000 2.365 77 K HA -0.059 4.253 4.320 -0.013 0.000 0.197 77 K C -0.079 176.452 176.600 -0.114 0.000 1.042 77 K CA 0.412 56.596 56.287 -0.172 0.000 0.987 77 K CB 0.157 32.491 32.500 -0.278 0.000 0.779 77 K HN -0.005 nan 8.250 nan 0.000 0.484 78 D N 1.411 121.751 120.400 -0.100 0.000 2.740 78 D HA -0.105 4.527 4.640 -0.013 0.000 0.231 78 D C -2.403 173.867 176.300 -0.051 0.000 1.194 78 D CA 0.078 54.032 54.000 -0.076 0.000 0.673 78 D CB -0.048 40.677 40.800 -0.126 0.000 0.995 78 D HN 0.170 nan 8.370 nan 0.000 0.411 79 P HA 0.095 nan 4.420 nan 0.000 0.276 79 P C -0.141 177.120 177.300 -0.064 0.000 1.261 79 P CA -0.581 62.487 63.100 -0.052 0.000 0.800 79 P CB 0.610 32.270 31.700 -0.066 0.000 1.066 80 K N 1.195 121.560 120.400 -0.058 0.000 2.451 80 K HA 0.035 4.347 4.320 -0.013 0.000 0.280 80 K C 0.061 176.578 176.600 -0.138 0.000 1.020 80 K CA 0.125 56.371 56.287 -0.068 0.000 1.008 80 K CB 0.197 32.674 32.500 -0.038 0.000 0.917 80 K HN 0.312 nan 8.250 nan 0.000 0.478 81 R N 3.769 124.172 120.500 -0.161 0.000 2.428 81 R HA 0.374 4.706 4.340 -0.013 0.000 0.294 81 R C -0.442 175.590 176.300 -0.447 0.000 1.000 81 R CA -0.860 55.062 56.100 -0.297 0.000 0.960 81 R CB 0.974 31.117 30.300 -0.261 0.000 1.076 81 R HN 0.470 nan 8.270 nan 0.000 0.475 82 I N 3.512 123.750 120.570 -0.553 0.000 2.354 82 I HA 0.239 4.401 4.170 -0.013 0.000 0.292 82 I C -0.712 175.083 176.117 -0.536 0.000 0.989 82 I CA -0.885 60.049 61.300 -0.609 0.000 1.188 82 I CB 0.970 38.477 38.000 -0.821 0.000 1.342 82 I HN 0.531 nan 8.210 nan 0.000 0.457 83 Y N 5.763 126.025 120.300 -0.064 0.000 2.345 83 Y HA 0.304 4.847 4.550 -0.012 0.000 0.331 83 Y C -0.369 175.631 175.900 0.167 0.000 0.959 83 Y CA -0.718 57.465 58.100 0.138 0.000 1.204 83 Y CB 1.271 39.773 38.460 0.069 0.000 1.135 83 Y HN 0.404 nan 8.280 nan 0.000 0.477 84 Y N 4.568 125.044 120.300 0.294 0.000 2.518 84 Y HA 0.480 5.023 4.550 -0.012 0.000 0.344 84 Y C -1.224 174.936 175.900 0.433 0.000 0.982 84 Y CA -0.934 57.347 58.100 0.301 0.000 1.234 84 Y CB 0.305 38.940 38.460 0.291 0.000 1.114 84 Y HN 0.531 nan 8.280 nan 0.000 0.515 85 L N 4.978 126.268 121.223 0.111 0.000 2.265 85 L HA 0.460 4.793 4.340 -0.013 0.000 0.288 85 L C -0.183 176.722 176.870 0.059 0.000 1.058 85 L CA 0.220 55.176 54.840 0.194 0.000 0.809 85 L CB 1.227 43.358 42.059 0.120 0.000 1.179 85 L HN 0.575 nan 8.230 nan 0.000 0.429 86 S N 2.475 118.293 115.700 0.197 0.000 2.541 86 S HA 0.512 4.974 4.470 -0.013 0.000 0.271 86 S C 0.280 174.978 174.600 0.164 0.000 1.133 86 S CA -0.524 57.683 58.200 0.012 0.000 0.876 86 S CB 1.066 64.027 63.200 -0.399 0.000 1.105 86 S HN 0.472 nan 8.310 nan 0.000 0.470 87 L N 2.595 123.943 121.223 0.209 0.000 2.591 87 L HA 0.437 4.769 4.340 -0.013 0.000 0.228 87 L C 0.289 177.358 176.870 0.332 0.000 1.133 87 L CA 0.914 55.946 54.840 0.320 0.000 0.880 87 L CB -0.016 42.249 42.059 0.343 0.000 1.033 87 L HN 0.631 nan 8.230 nan 0.000 0.450 88 E N -1.139 119.126 120.200 0.110 0.000 2.275 88 E HA 0.400 4.742 4.350 -0.013 0.000 0.270 88 E C -1.419 175.070 176.600 -0.185 0.000 0.882 88 E CA -0.439 56.009 56.400 0.080 0.000 0.758 88 E CB 1.848 31.572 29.700 0.040 0.000 1.195 88 E HN -0.175 nan 8.360 nan 0.000 0.419 89 F N 2.251 122.307 119.950 0.178 0.000 2.716 89 F HA 0.183 4.703 4.527 -0.013 0.000 0.354 89 F C -0.848 175.038 175.800 0.144 0.000 1.168 89 F CA -0.754 57.338 58.000 0.154 0.000 1.045 89 F CB 0.967 40.049 39.000 0.137 0.000 1.311 89 F HN 0.479 nan 8.300 nan 0.000 0.477 90 Y N 5.346 125.719 120.300 0.122 0.000 2.714 90 Y HA 0.247 4.790 4.550 -0.012 0.000 0.333 90 Y C 0.809 176.726 175.900 0.027 0.000 1.220 90 Y CA -1.074 57.048 58.100 0.037 0.000 1.513 90 Y CB 0.410 38.873 38.460 0.004 0.000 1.435 90 Y HN 0.546 nan 8.280 nan 0.000 0.489 91 M N 1.673 121.417 119.600 0.240 0.000 2.334 91 M HA 0.137 4.609 4.480 -0.013 0.000 0.266 91 M C 1.565 177.841 176.300 -0.040 0.000 1.082 91 M CA 1.032 56.372 55.300 0.067 0.000 1.141 91 M CB -1.180 31.435 32.600 0.026 0.000 1.380 91 M HN 0.707 nan 8.290 nan 0.000 0.440 92 G N 1.309 110.099 108.800 -0.016 0.000 2.552 92 G HA2 -0.282 3.671 3.960 -0.013 0.000 0.265 92 G HA3 -0.282 3.671 3.960 -0.013 0.000 0.265 92 G C -0.200 174.648 174.900 -0.086 0.000 1.234 92 G CA -0.244 44.801 45.100 -0.090 0.000 0.944 92 G HN 0.439 nan 8.290 nan 0.000 0.568 93 R N -0.710 119.715 120.500 -0.124 0.000 2.531 93 R HA 0.569 4.901 4.340 -0.013 0.000 0.273 93 R C 1.102 177.264 176.300 -0.230 0.000 1.070 93 R CA 0.325 56.355 56.100 -0.117 0.000 1.112 93 R CB 0.718 30.958 30.300 -0.101 0.000 1.049 93 R HN 0.520 nan 8.270 nan 0.000 0.508 94 T N 1.103 115.449 114.554 -0.347 0.000 2.978 94 T HA -0.005 4.337 4.350 -0.013 0.000 0.248 94 T C 1.414 175.667 174.700 -0.745 0.000 1.018 94 T CA -0.132 61.541 62.100 -0.711 0.000 1.026 94 T CB 0.139 68.220 68.868 -1.312 0.000 1.032 94 T HN 0.310 nan 8.240 nan 0.000 0.485 95 L N 1.949 122.946 121.223 -0.376 0.000 1.970 95 L HA -0.025 4.307 4.340 -0.013 0.000 0.212 95 L C 2.464 179.270 176.870 -0.106 0.000 1.071 95 L CA 2.013 56.805 54.840 -0.080 0.000 0.751 95 L CB -0.681 41.564 42.059 0.311 0.000 0.889 95 L HN 0.182 nan 8.230 nan 0.000 0.432 96 Q N -0.749 118.994 119.800 -0.096 0.000 2.084 96 Q HA -0.253 4.079 4.340 -0.013 0.000 0.202 96 Q C 2.236 178.150 176.000 -0.143 0.000 0.978 96 Q CA 1.866 57.612 55.803 -0.096 0.000 0.844 96 Q CB -0.318 28.364 28.738 -0.094 0.000 0.898 96 Q HN 0.704 nan 8.270 nan 0.000 0.426 97 N N -1.034 117.540 118.700 -0.210 0.000 2.104 97 N HA -0.155 4.577 4.740 -0.013 0.000 0.190 97 N C 1.353 176.745 175.510 -0.196 0.000 1.024 97 N CA 1.802 54.723 53.050 -0.216 0.000 0.853 97 N CB 0.060 38.386 38.487 -0.268 0.000 1.008 97 N HN 0.230 nan 8.380 nan 0.000 0.424 98 T N 1.264 115.665 114.554 -0.254 0.000 2.777 98 T HA -0.055 4.287 4.350 -0.013 0.000 0.266 98 T C 2.067 176.697 174.700 -0.117 0.000 1.040 98 T CA 1.049 63.022 62.100 -0.211 0.000 1.141 98 T CB -0.073 68.630 68.868 -0.276 0.000 0.868 98 T HN 0.264 nan 8.240 nan 0.000 0.444 99 M N 0.616 120.161 119.600 -0.091 0.000 2.117 99 M HA -0.098 4.375 4.480 -0.013 0.000 0.262 99 M C 2.488 178.746 176.300 -0.069 0.000 1.065 99 M CA 1.289 56.550 55.300 -0.065 0.000 1.114 99 M CB -0.707 31.870 32.600 -0.039 0.000 1.361 99 M HN 0.101 nan 8.290 nan 0.000 0.408 100 V N 1.032 120.910 119.914 -0.060 0.000 2.255 100 V HA -0.291 3.822 4.120 -0.013 0.000 0.247 100 V C 1.840 177.932 176.094 -0.005 0.000 1.051 100 V CA 2.057 64.347 62.300 -0.015 0.000 1.018 100 V CB -0.905 30.913 31.823 -0.007 0.000 0.641 100 V HN 0.475 nan 8.190 nan 0.000 0.445 101 N N -0.372 118.312 118.700 -0.027 0.000 2.381 101 N HA -0.051 4.682 4.740 -0.013 0.000 0.182 101 N C 1.103 176.508 175.510 -0.175 0.000 1.025 101 N CA 0.767 53.782 53.050 -0.058 0.000 0.888 101 N CB -0.149 38.314 38.487 -0.039 0.000 0.965 101 N HN 0.286 nan 8.380 nan 0.000 0.438 102 L N -0.181 120.958 121.223 -0.139 0.000 2.640 102 L HA 0.395 4.728 4.340 -0.013 0.000 0.230 102 L C 0.567 177.348 176.870 -0.149 0.000 1.123 102 L CA -0.243 54.515 54.840 -0.137 0.000 0.900 102 L CB -0.806 41.195 42.059 -0.096 0.000 1.146 102 L HN 0.103 nan 8.230 nan 0.000 0.484 103 A N -0.379 122.348 122.820 -0.154 0.000 2.846 103 A HA -0.223 4.089 4.320 -0.013 0.000 0.287 103 A C 1.133 178.656 177.584 -0.103 0.000 1.469 103 A CA 1.113 53.074 52.037 -0.128 0.000 0.757 103 A CB -2.034 16.877 19.000 -0.147 0.000 1.033 103 A HN 0.326 nan 8.150 nan 0.000 0.516 104 L N -1.515 119.647 121.223 -0.102 0.000 2.693 104 L HA 0.150 4.482 4.340 -0.013 0.000 0.235 104 L C 1.935 178.764 176.870 -0.069 0.000 1.127 104 L CA 0.715 55.490 54.840 -0.108 0.000 0.914 104 L CB 0.083 42.045 42.059 -0.160 0.000 1.193 104 L HN 0.669 nan 8.230 nan 0.000 0.502 105 E N 0.828 120.997 120.200 -0.052 0.000 2.038 105 E HA -0.232 4.111 4.350 -0.013 0.000 0.195 105 E C 1.706 178.289 176.600 -0.029 0.000 1.000 105 E CA 1.450 57.830 56.400 -0.034 0.000 0.803 105 E CB 0.261 29.943 29.700 -0.029 0.000 0.750 105 E HN 0.392 nan 8.360 nan 0.000 0.448 106 N N 0.112 118.793 118.700 -0.032 0.000 2.142 106 N HA -0.126 4.606 4.740 -0.013 0.000 0.186 106 N C 1.575 177.069 175.510 -0.026 0.000 1.023 106 N CA 1.234 54.266 53.050 -0.030 0.000 0.852 106 N CB -0.417 38.052 38.487 -0.030 0.000 0.998 106 N HN 0.229 nan 8.380 nan 0.000 0.424 107 A N 0.515 123.317 122.820 -0.030 0.000 1.883 107 A HA -0.164 4.149 4.320 -0.013 0.000 0.217 107 A C 2.671 180.246 177.584 -0.016 0.000 1.186 107 A CA 1.483 53.506 52.037 -0.024 0.000 0.624 107 A CB -1.070 17.908 19.000 -0.037 0.000 0.822 107 A HN 0.449 nan 8.150 nan 0.000 0.444 108 C N -0.877 118.412 119.300 -0.018 0.000 2.440 108 C HA -0.069 4.383 4.460 -0.013 0.000 0.278 108 C C 2.466 177.455 174.990 -0.002 0.000 1.295 108 C CA 1.104 60.122 59.018 -0.000 0.000 1.738 108 C CB -1.190 26.559 27.740 0.017 0.000 1.987 108 C HN 0.711 nan 8.230 nan 0.000 0.492 109 D N 0.727 121.125 120.400 -0.004 0.000 2.104 109 D HA -0.152 4.481 4.640 -0.013 0.000 0.194 109 D C 2.121 178.433 176.300 0.019 0.000 0.994 109 D CA 1.562 55.562 54.000 -0.000 0.000 0.830 109 D CB -0.246 40.542 40.800 -0.020 0.000 0.959 109 D HN 0.461 nan 8.370 nan 0.000 0.452 110 E N 0.065 120.273 120.200 0.013 0.000 2.047 110 E HA -0.049 4.293 4.350 -0.013 0.000 0.191 110 E C 1.887 178.522 176.600 0.059 0.000 0.987 110 E CA 1.554 57.985 56.400 0.051 0.000 0.799 110 E CB -0.577 29.137 29.700 0.024 0.000 0.752 110 E HN 0.230 nan 8.360 nan 0.000 0.449 111 A N -0.113 122.708 122.820 0.002 0.000 1.908 111 A HA -0.211 4.101 4.320 -0.013 0.000 0.218 111 A C 2.491 179.995 177.584 -0.132 0.000 1.181 111 A CA 2.817 54.826 52.037 -0.047 0.000 0.627 111 A CB -1.441 17.536 19.000 -0.039 0.000 0.818 111 A HN 0.519 nan 8.150 nan 0.000 0.445 112 T N -3.666 110.806 114.554 -0.138 0.000 2.777 112 T HA -0.217 4.125 4.350 -0.013 0.000 0.266 112 T C 1.867 176.483 174.700 -0.139 0.000 1.040 112 T CA 1.516 63.477 62.100 -0.232 0.000 1.141 112 T CB -0.639 68.132 68.868 -0.161 0.000 0.868 112 T HN 0.452 nan 8.240 nan 0.000 0.444 113 Y N 2.273 122.492 120.300 -0.136 0.000 2.128 113 Y HA -0.146 4.396 4.550 -0.012 0.000 0.284 113 Y C 2.620 178.458 175.900 -0.104 0.000 1.154 113 Y CA 1.718 59.757 58.100 -0.101 0.000 1.149 113 Y CB -0.580 37.840 38.460 -0.067 0.000 0.976 113 Y HN 0.272 nan 8.280 nan 0.000 0.505 114 Q N -1.025 118.672 119.800 -0.172 0.000 2.291 114 Q HA -0.112 4.220 4.340 -0.013 0.000 0.205 114 Q C 1.459 177.316 176.000 -0.239 0.000 0.970 114 Q CA 0.774 56.441 55.803 -0.227 0.000 0.876 114 Q CB -0.046 28.641 28.738 -0.084 0.000 0.935 114 Q HN 0.352 nan 8.270 nan 0.000 0.455 115 L N -0.954 120.115 121.223 -0.256 0.000 2.591 115 L HA 0.151 4.483 4.340 -0.013 0.000 0.228 115 L C 1.124 177.829 176.870 -0.275 0.000 1.133 115 L CA 1.184 55.862 54.840 -0.271 0.000 0.880 115 L CB -0.299 41.517 42.059 -0.404 0.000 1.033 115 L HN 0.311 nan 8.230 nan 0.000 0.450 116 G N -0.260 108.362 108.800 -0.296 0.000 2.137 116 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.237 116 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.237 116 G C 0.093 174.867 174.900 -0.209 0.000 1.002 116 G CA 0.264 45.209 45.100 -0.260 0.000 0.702 116 G HN 0.284 nan 8.290 nan 0.000 0.515 117 L N -0.233 120.863 121.223 -0.210 0.000 2.333 117 L HA 0.629 4.962 4.340 -0.013 0.000 0.269 117 L C -0.489 176.357 176.870 -0.039 0.000 1.010 117 L CA -1.176 53.570 54.840 -0.156 0.000 0.818 117 L CB 1.849 43.750 42.059 -0.264 0.000 1.306 117 L HN 0.080 nan 8.230 nan 0.000 0.430 118 D N 1.788 122.192 120.400 0.007 0.000 2.359 118 D HA 0.190 4.822 4.640 -0.013 0.000 0.230 118 D C 0.638 176.968 176.300 0.050 0.000 1.118 118 D CA -0.203 53.826 54.000 0.047 0.000 0.844 118 D CB 1.456 42.289 40.800 0.055 0.000 1.059 118 D HN 0.490 nan 8.370 nan 0.000 0.493 119 M N 3.067 122.696 119.600 0.047 0.000 2.159 119 M HA -0.135 4.337 4.480 -0.013 0.000 0.263 119 M C 1.288 177.628 176.300 0.067 0.000 1.063 119 M CA 1.524 56.860 55.300 0.060 0.000 1.110 119 M CB 0.190 32.817 32.600 0.045 0.000 1.374 119 M HN 0.435 nan 8.290 nan 0.000 0.411 120 E N -0.164 120.065 120.200 0.048 0.000 2.110 120 E HA -0.257 4.085 4.350 -0.013 0.000 0.193 120 E C 1.850 178.479 176.600 0.048 0.000 0.988 120 E CA 1.387 57.810 56.400 0.040 0.000 0.804 120 E CB -0.187 29.531 29.700 0.030 0.000 0.745 120 E HN 0.638 nan 8.360 nan 0.000 0.458 121 E N 0.484 120.719 120.200 0.058 0.000 2.077 121 E HA -0.201 4.141 4.350 -0.013 0.000 0.193 121 E C 1.931 178.575 176.600 0.073 0.000 0.989 121 E CA 0.620 57.058 56.400 0.064 0.000 0.800 121 E CB 0.175 29.916 29.700 0.069 0.000 0.746 121 E HN 0.082 nan 8.360 nan 0.000 0.452 122 L N 1.449 122.737 121.223 0.108 0.000 2.056 122 L HA -0.134 4.199 4.340 -0.013 0.000 0.207 122 L C 2.099 179.040 176.870 0.119 0.000 1.078 122 L CA 1.642 56.581 54.840 0.165 0.000 0.749 122 L CB -0.772 41.433 42.059 0.243 0.000 0.901 122 L HN 0.139 nan 8.230 nan 0.000 0.433 123 E N -0.633 119.624 120.200 0.095 0.000 2.118 123 E HA -0.217 4.125 4.350 -0.013 0.000 0.195 123 E C 1.832 178.398 176.600 -0.058 0.000 0.992 123 E CA 0.960 57.386 56.400 0.044 0.000 0.804 123 E CB -0.002 29.720 29.700 0.036 0.000 0.741 123 E HN 0.409 nan 8.360 nan 0.000 0.458 124 E N 0.191 120.369 120.200 -0.038 0.000 2.409 124 E HA -0.119 4.223 4.350 -0.013 0.000 0.198 124 E C 1.855 178.390 176.600 -0.109 0.000 1.024 124 E CA 0.558 56.931 56.400 -0.044 0.000 0.861 124 E CB 0.024 29.733 29.700 0.014 0.000 0.788 124 E HN 0.414 nan 8.360 nan 0.000 0.521 125 I N 0.782 121.226 120.570 -0.211 0.000 2.500 125 I HA -0.107 4.056 4.170 -0.013 0.000 0.252 125 I C 1.395 177.202 176.117 -0.517 0.000 1.142 125 I CA 0.235 61.339 61.300 -0.327 0.000 1.451 125 I CB 0.096 37.905 38.000 -0.319 0.000 1.093 125 I HN -0.025 nan 8.210 nan 0.000 0.430 126 E N 2.635 122.409 120.200 -0.709 0.000 2.414 126 E HA -0.052 4.291 4.350 -0.013 0.000 0.263 126 E C -0.229 176.272 176.600 -0.165 0.000 1.000 126 E CA -0.170 55.877 56.400 -0.587 0.000 0.914 126 E CB 0.601 30.094 29.700 -0.346 0.000 0.948 126 E HN 0.090 nan 8.360 nan 0.000 0.444 127 E N 3.362 123.561 120.200 -0.001 0.000 2.354 127 E HA 0.059 4.402 4.350 -0.013 0.000 0.269 127 E C -0.783 175.907 176.600 0.151 0.000 1.036 127 E CA -0.268 56.213 56.400 0.136 0.000 0.876 127 E CB 0.711 30.586 29.700 0.292 0.000 1.009 127 E HN 0.476 nan 8.360 nan 0.000 0.416 128 D N 0.863 121.325 120.400 0.103 0.000 2.455 128 D HA 0.120 4.752 4.640 -0.013 0.000 0.241 128 D C -0.285 176.035 176.300 0.034 0.000 1.138 128 D CA 0.232 54.269 54.000 0.061 0.000 0.877 128 D CB 0.546 41.375 40.800 0.049 0.000 1.187 128 D HN 0.367 nan 8.370 nan 0.000 0.451 129 A N 2.347 125.136 122.820 -0.053 0.000 2.671 129 A HA 0.477 4.789 4.320 -0.013 0.000 0.306 129 A C 1.018 178.430 177.584 -0.286 0.000 1.473 129 A CA -0.390 51.396 52.037 -0.419 0.000 1.155 129 A CB -0.221 18.608 19.000 -0.284 0.000 1.123 129 A HN 0.523 nan 8.150 nan 0.000 0.545 130 G N 2.172 110.741 108.800 -0.386 0.000 3.943 130 G HA2 0.417 4.369 3.960 -0.013 0.000 0.275 130 G HA3 0.417 4.369 3.960 -0.013 0.000 0.275 130 G C 0.301 174.923 174.900 -0.464 0.000 1.234 130 G CA -0.303 44.633 45.100 -0.274 0.000 1.522 130 G HN 0.693 nan 8.290 nan 0.000 0.636 131 L N 1.346 122.375 121.223 -0.323 0.000 2.862 131 L HA 0.376 4.709 4.340 -0.013 0.000 0.240 131 L C 1.072 177.875 176.870 -0.111 0.000 1.283 131 L CA -0.164 54.605 54.840 -0.119 0.000 1.117 131 L CB -0.373 41.743 42.059 0.095 0.000 1.444 131 L HN 0.350 nan 8.230 nan 0.000 0.456 132 G N -1.321 107.188 108.800 -0.484 0.000 2.608 132 G HA2 0.179 4.132 3.960 -0.013 0.000 0.291 132 G HA3 0.179 4.132 3.960 -0.013 0.000 0.291 132 G C -0.173 174.345 174.900 -0.636 0.000 1.425 132 G CA -0.449 44.398 45.100 -0.421 0.000 0.787 132 G HN -0.097 nan 8.290 nan 0.000 0.484 133 N N -0.893 117.651 118.700 -0.260 0.000 2.439 133 N HA 0.243 4.975 4.740 -0.013 0.000 0.176 133 N C 1.092 176.633 175.510 0.051 0.000 1.029 133 N CA 1.283 54.254 53.050 -0.132 0.000 0.886 133 N CB 1.350 39.838 38.487 0.002 0.000 1.057 133 N HN 0.868 nan 8.380 nan 0.000 0.437 134 G N -0.743 108.161 108.800 0.173 0.000 2.725 134 G HA2 0.207 4.159 3.960 -0.013 0.000 0.098 134 G HA3 0.207 4.159 3.960 -0.013 0.000 0.098 134 G C 0.675 175.682 174.900 0.178 0.000 1.188 134 G CA 0.201 45.443 45.100 0.235 0.000 1.237 134 G HN 0.135 nan 8.290 nan 0.000 0.596 135 G N 0.327 109.183 108.800 0.093 0.000 2.440 135 G HA2 -0.070 3.882 3.960 -0.013 0.000 0.218 135 G HA3 -0.070 3.882 3.960 -0.013 0.000 0.218 135 G C 1.883 176.770 174.900 -0.022 0.000 1.154 135 G CA 1.559 46.677 45.100 0.029 0.000 0.767 135 G HN 0.847 nan 8.290 nan 0.000 0.552 136 L N 0.562 121.753 121.223 -0.055 0.000 2.056 136 L HA 0.124 4.456 4.340 -0.013 0.000 0.207 136 L C 2.799 179.589 176.870 -0.133 0.000 1.078 136 L CA 1.956 56.674 54.840 -0.203 0.000 0.749 136 L CB -0.555 41.331 42.059 -0.288 0.000 0.901 136 L HN 0.219 nan 8.230 nan 0.000 0.433 137 G N -0.576 108.213 108.800 -0.018 0.000 2.408 137 G HA2 -0.297 3.655 3.960 -0.013 0.000 0.217 137 G HA3 -0.297 3.655 3.960 -0.013 0.000 0.217 137 G C 1.643 176.603 174.900 0.101 0.000 1.150 137 G CA 0.675 45.794 45.100 0.031 0.000 0.776 137 G HN 0.306 nan 8.290 nan 0.000 0.542 138 R N -0.031 120.544 120.500 0.125 0.000 2.148 138 R HA 0.152 4.485 4.340 -0.013 0.000 0.223 138 R C 2.266 178.561 176.300 -0.008 0.000 1.088 138 R CA 0.717 56.866 56.100 0.081 0.000 0.985 138 R CB -0.791 29.520 30.300 0.018 0.000 0.880 138 R HN 0.336 nan 8.270 nan 0.000 0.451 139 L N 0.092 121.241 121.223 -0.123 0.000 2.046 139 L HA 0.042 4.374 4.340 -0.013 0.000 0.208 139 L C 2.084 178.657 176.870 -0.494 0.000 1.077 139 L CA 2.095 56.722 54.840 -0.355 0.000 0.747 139 L CB -0.822 40.986 42.059 -0.418 0.000 0.896 139 L HN 0.240 nan 8.230 nan 0.000 0.432 140 A N -0.519 122.141 122.820 -0.267 0.000 1.908 140 A HA -0.184 4.128 4.320 -0.013 0.000 0.218 140 A C 2.436 180.070 177.584 0.083 0.000 1.181 140 A CA 1.957 53.909 52.037 -0.141 0.000 0.627 140 A CB -1.154 17.719 19.000 -0.211 0.000 0.818 140 A HN 0.575 nan 8.150 nan 0.000 0.445 141 A N -1.103 121.800 122.820 0.138 0.000 1.873 141 A HA -0.145 4.168 4.320 -0.013 0.000 0.215 141 A C 2.316 179.975 177.584 0.125 0.000 1.186 141 A CA 1.621 53.766 52.037 0.180 0.000 0.616 141 A CB -1.259 17.835 19.000 0.157 0.000 0.823 141 A HN 0.603 nan 8.150 nan 0.000 0.442 142 C N -1.435 117.938 119.300 0.123 0.000 2.425 142 C HA -0.063 4.390 4.460 -0.013 0.000 0.277 142 C C 2.425 177.581 174.990 0.277 0.000 1.280 142 C CA 0.592 59.724 59.018 0.190 0.000 1.744 142 C CB -1.636 26.239 27.740 0.226 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 1.270 121.204 119.950 -0.027 0.000 2.126 143 F HA -0.089 4.430 4.527 -0.013 0.000 0.299 143 F C 2.241 177.979 175.800 -0.104 0.000 1.096 143 F CA 1.076 59.008 58.000 -0.114 0.000 1.255 143 F CB -1.386 37.412 39.000 -0.337 0.000 0.997 143 F HN 0.194 nan 8.300 nan 0.000 0.479 144 L N -0.417 120.876 121.223 0.116 0.000 2.046 144 L HA -0.247 4.085 4.340 -0.013 0.000 0.208 144 L C 2.146 179.023 176.870 0.012 0.000 1.077 144 L CA 1.913 56.775 54.840 0.037 0.000 0.747 144 L CB -0.774 41.308 42.059 0.038 0.000 0.896 144 L HN 0.110 nan 8.230 nan 0.000 0.432 145 D N -0.515 119.904 120.400 0.031 0.000 2.097 145 D HA -0.174 4.458 4.640 -0.013 0.000 0.195 145 D C 2.202 178.515 176.300 0.021 0.000 0.989 145 D CA 1.459 55.464 54.000 0.008 0.000 0.827 145 D CB 0.208 41.011 40.800 0.006 0.000 0.966 145 D HN 0.083 nan 8.370 nan 0.000 0.456 146 S N -0.720 115.009 115.700 0.048 0.000 2.383 146 S HA -0.092 4.371 4.470 -0.013 0.000 0.227 146 S C 1.981 176.590 174.600 0.015 0.000 1.026 146 S CA 0.822 59.042 58.200 0.034 0.000 0.981 146 S CB -0.206 63.018 63.200 0.039 0.000 0.818 146 S HN 0.345 nan 8.310 nan 0.000 0.472 147 M N 0.954 120.556 119.600 0.003 0.000 2.159 147 M HA -0.090 4.383 4.480 -0.013 0.000 0.263 147 M C 2.437 178.734 176.300 -0.005 0.000 1.063 147 M CA 1.381 56.679 55.300 -0.003 0.000 1.110 147 M CB -0.505 32.074 32.600 -0.036 0.000 1.374 147 M HN 0.394 nan 8.290 nan 0.000 0.411 148 A N -0.251 122.562 122.820 -0.011 0.000 1.897 148 A HA -0.109 4.203 4.320 -0.013 0.000 0.215 148 A C 2.170 179.763 177.584 0.016 0.000 1.181 148 A CA 1.950 53.984 52.037 -0.006 0.000 0.620 148 A CB -1.014 17.965 19.000 -0.036 0.000 0.821 148 A HN 0.410 nan 8.150 nan 0.000 0.443 149 T N 0.379 114.948 114.554 0.025 0.000 2.867 149 T HA -0.002 4.340 4.350 -0.013 0.000 0.268 149 T C 1.366 176.092 174.700 0.044 0.000 1.057 149 T CA 1.152 63.281 62.100 0.047 0.000 1.136 149 T CB -0.279 68.625 68.868 0.060 0.000 0.874 149 T HN 0.348 nan 8.240 nan 0.000 0.466 150 L N 0.466 121.711 121.223 0.037 0.000 2.611 150 L HA 0.297 4.629 4.340 -0.013 0.000 0.229 150 L C 1.671 178.571 176.870 0.050 0.000 1.137 150 L CA -0.009 54.856 54.840 0.041 0.000 0.901 150 L CB -0.457 41.627 42.059 0.041 0.000 1.098 150 L HN 0.401 nan 8.230 nan 0.000 0.456 151 G N 1.037 109.869 108.800 0.053 0.000 2.198 151 G HA2 -0.284 3.669 3.960 -0.013 0.000 0.260 151 G HA3 -0.284 3.669 3.960 -0.013 0.000 0.260 151 G C 0.131 175.084 174.900 0.087 0.000 1.025 151 G CA 0.005 45.155 45.100 0.084 0.000 0.769 151 G HN 0.278 nan 8.290 nan 0.000 0.507 152 L N -0.114 121.127 121.223 0.030 0.000 2.375 152 L HA 0.597 4.929 4.340 -0.013 0.000 0.271 152 L C 1.240 177.989 176.870 -0.202 0.000 1.107 152 L CA -0.310 54.500 54.840 -0.050 0.000 0.806 152 L CB 1.489 43.530 42.059 -0.031 0.000 1.146 152 L HN 0.264 nan 8.230 nan 0.000 0.447 153 A N 2.995 125.553 122.820 -0.437 0.000 2.981 153 A HA 0.558 4.870 4.320 -0.013 0.000 0.280 153 A C 0.255 177.474 177.584 -0.607 0.000 1.743 153 A CA -0.158 51.319 52.037 -0.934 0.000 1.430 153 A CB -0.654 17.683 19.000 -1.105 0.000 1.085 153 A HN 0.694 nan 8.150 nan 0.000 0.597 154 A N 1.669 124.171 122.820 -0.531 0.000 2.350 154 A HA 0.798 5.110 4.320 -0.013 0.000 0.324 154 A C -1.152 176.143 177.584 -0.482 0.000 1.118 154 A CA -0.444 51.357 52.037 -0.394 0.000 0.783 154 A CB 0.804 19.651 19.000 -0.255 0.000 1.236 154 A HN 0.596 nan 8.150 nan 0.000 0.457 155 Y N 0.312 120.527 120.300 -0.142 0.000 2.391 155 Y HA 0.558 5.101 4.550 -0.012 0.000 0.341 155 Y C 0.788 176.758 175.900 0.116 0.000 0.965 155 Y CA -0.654 57.438 58.100 -0.015 0.000 1.067 155 Y CB 2.289 40.819 38.460 0.117 0.000 1.199 155 Y HN 0.838 nan 8.280 nan 0.000 0.450 156 G N 1.987 110.858 108.800 0.120 0.000 2.338 156 G HA2 0.466 4.419 3.960 -0.013 0.000 0.298 156 G HA3 0.466 4.419 3.960 -0.013 0.000 0.298 156 G C -1.783 173.133 174.900 0.027 0.000 1.140 156 G CA -0.295 44.916 45.100 0.184 0.000 0.860 156 G HN 0.516 nan 8.290 nan 0.000 0.470 157 Y N 0.769 121.290 120.300 0.368 0.000 2.391 157 Y HA 0.635 5.178 4.550 -0.013 0.000 0.341 157 Y C 0.736 176.933 175.900 0.495 0.000 0.965 157 Y CA 0.174 58.460 58.100 0.309 0.000 1.067 157 Y CB 2.734 41.406 38.460 0.352 0.000 1.199 157 Y HN 0.892 nan 8.280 nan 0.000 0.450 158 G N 2.255 111.371 108.800 0.527 0.000 2.753 158 G HA2 0.592 4.545 3.960 -0.013 0.000 0.303 158 G HA3 0.592 4.545 3.960 -0.013 0.000 0.303 158 G C -1.804 173.335 174.900 0.397 0.000 1.242 158 G CA -0.828 44.611 45.100 0.565 0.000 0.810 158 G HN 0.437 nan 8.290 nan 0.000 0.515 159 I N 0.572 121.273 120.570 0.219 0.000 2.441 159 I HA 0.434 4.596 4.170 -0.013 0.000 0.295 159 I C 0.296 176.320 176.117 -0.154 0.000 0.994 159 I CA -0.723 60.591 61.300 0.023 0.000 1.144 159 I CB 2.193 40.018 38.000 -0.292 0.000 1.314 159 I HN 0.340 nan 8.210 nan 0.000 0.445 160 R N 6.130 126.638 120.500 0.014 0.000 2.608 160 R HA 0.232 4.564 4.340 -0.013 0.000 0.277 160 R C -1.287 175.063 176.300 0.084 0.000 1.341 160 R CA -0.438 55.701 56.100 0.066 0.000 1.199 160 R CB -0.008 30.311 30.300 0.031 0.000 1.156 160 R HN 0.399 nan 8.270 nan 0.000 0.558 161 Y N 1.575 122.044 120.300 0.281 0.000 2.425 161 Y HA -0.068 4.474 4.550 -0.013 0.000 0.331 161 Y C 1.577 177.664 175.900 0.311 0.000 1.157 161 Y CA 0.023 58.279 58.100 0.260 0.000 1.372 161 Y CB 0.846 39.439 38.460 0.221 0.000 1.253 161 Y HN 0.593 nan 8.280 nan 0.000 0.536 162 E N 2.091 122.475 120.200 0.306 0.000 2.150 162 E HA -0.078 4.265 4.350 -0.013 0.000 0.193 162 E C -0.751 175.707 176.600 -0.236 0.000 0.985 162 E CA 0.763 57.137 56.400 -0.043 0.000 0.814 162 E CB 0.171 29.773 29.700 -0.162 0.000 0.752 162 E HN 0.490 nan 8.360 nan 0.000 0.466 163 F N -0.367 119.803 119.950 0.367 0.000 2.507 163 F HA 0.446 4.966 4.527 -0.013 0.000 0.328 163 F C 0.763 176.664 175.800 0.168 0.000 1.136 163 F CA -0.803 57.372 58.000 0.291 0.000 0.930 163 F CB 1.842 40.940 39.000 0.164 0.000 1.166 163 F HN -0.114 nan 8.300 nan 0.000 0.436 164 G N 1.792 110.714 108.800 0.203 0.000 2.531 164 G HA2 0.357 4.309 3.960 -0.013 0.000 0.253 164 G HA3 0.357 4.309 3.960 -0.013 0.000 0.253 164 G C -0.523 174.338 174.900 -0.066 0.000 1.439 164 G CA -0.675 44.382 45.100 -0.071 0.000 1.056 164 G HN 0.538 nan 8.290 nan 0.000 0.555 165 I N 0.962 121.405 120.570 -0.210 0.000 2.752 165 I HA 0.197 4.360 4.170 -0.013 0.000 0.289 165 I C 0.547 176.564 176.117 -0.166 0.000 1.197 165 I CA -1.172 59.977 61.300 -0.252 0.000 1.432 165 I CB -0.356 37.388 38.000 -0.427 0.000 1.359 165 I HN 0.324 nan 8.210 nan 0.000 0.571 166 F N 6.207 126.169 119.950 0.020 0.000 2.595 166 F HA 0.235 4.754 4.527 -0.012 0.000 0.359 166 F C 0.557 176.409 175.800 0.086 0.000 1.147 166 F CA -0.585 57.451 58.000 0.059 0.000 1.341 166 F CB -0.365 38.659 39.000 0.040 0.000 1.104 166 F HN 0.423 nan 8.300 nan 0.000 0.603 167 N N 2.439 121.313 118.700 0.290 0.000 2.470 167 N HA 0.029 4.762 4.740 -0.013 0.000 0.268 167 N C -0.701 175.046 175.510 0.394 0.000 1.136 167 N CA -0.220 52.978 53.050 0.246 0.000 0.961 167 N CB 1.097 39.714 38.487 0.216 0.000 1.067 167 N HN 0.754 nan 8.380 nan 0.000 0.468 168 Q N 2.518 122.526 119.800 0.346 0.000 2.274 168 Q HA 0.153 4.486 4.340 -0.013 0.000 0.256 168 Q C -0.906 175.266 176.000 0.287 0.000 0.927 168 Q CA -0.295 55.745 55.803 0.396 0.000 0.939 168 Q CB 0.658 29.634 28.738 0.396 0.000 1.201 168 Q HN 0.239 nan 8.270 nan 0.000 0.426 169 K N 4.228 124.773 120.400 0.241 0.000 2.259 169 K HA 0.468 4.780 4.320 -0.013 0.000 0.252 169 K C -0.676 176.026 176.600 0.170 0.000 0.936 169 K CA -0.921 55.485 56.287 0.198 0.000 0.810 169 K CB 1.601 34.196 32.500 0.159 0.000 1.143 169 K HN 0.623 nan 8.250 nan 0.000 0.427 170 I N 2.455 123.119 120.570 0.156 0.000 2.330 170 I HA 0.200 4.363 4.170 -0.013 0.000 0.289 170 I C -0.283 175.894 176.117 0.101 0.000 1.001 170 I CA -0.655 60.706 61.300 0.102 0.000 1.193 170 I CB 0.729 38.769 38.000 0.067 0.000 1.345 170 I HN 0.435 nan 8.210 nan 0.000 0.461 171 C N 4.152 123.522 119.300 0.116 0.000 2.316 171 C HA 0.574 5.026 4.460 -0.013 0.000 0.324 171 C C 1.144 176.237 174.990 0.173 0.000 1.226 171 C CA -0.498 58.594 59.018 0.125 0.000 1.450 171 C CB 0.425 28.234 27.740 0.115 0.000 2.123 171 C HN 1.086 nan 8.230 nan 0.000 0.454 172 G N 2.520 111.391 108.800 0.120 0.000 2.249 172 G HA2 0.106 4.058 3.960 -0.013 0.000 0.273 172 G HA3 0.106 4.058 3.960 -0.013 0.000 0.273 172 G C 1.090 175.989 174.900 -0.000 0.000 1.036 172 G CA 0.955 46.127 45.100 0.121 0.000 0.824 172 G HN 2.360 nan 8.290 nan 0.000 0.504 173 G N -2.893 105.856 108.800 -0.084 0.000 2.179 173 G HA2 -0.294 3.658 3.960 -0.013 0.000 0.260 173 G HA3 -0.294 3.658 3.960 -0.013 0.000 0.260 173 G C 0.344 174.994 174.900 -0.417 0.000 0.977 173 G CA 0.659 45.586 45.100 -0.288 0.000 0.641 173 G HN 1.216 nan 8.290 nan 0.000 0.533 174 W N 0.875 122.126 121.300 -0.082 0.000 2.496 174 W HA 0.649 5.301 4.660 -0.012 0.000 0.327 174 W C 0.652 177.123 176.519 -0.080 0.000 1.086 174 W CA -0.945 56.347 57.345 -0.090 0.000 1.222 174 W CB 0.864 30.287 29.460 -0.062 0.000 1.304 174 W HN 0.254 nan 8.180 nan 0.000 0.547 175 Q N 3.426 123.320 119.800 0.156 0.000 2.289 175 Q HA 0.142 4.475 4.340 -0.013 0.000 0.273 175 Q C -0.476 175.584 176.000 0.100 0.000 1.029 175 Q CA 0.310 56.178 55.803 0.109 0.000 0.896 175 Q CB 0.494 29.288 28.738 0.095 0.000 1.182 175 Q HN 0.324 nan 8.270 nan 0.000 0.385 176 M N 3.131 122.784 119.600 0.089 0.000 2.528 176 M HA 0.386 4.858 4.480 -0.013 0.000 0.321 176 M C -0.987 175.324 176.300 0.019 0.000 1.153 176 M CA -0.690 54.629 55.300 0.033 0.000 0.951 176 M CB 1.809 34.440 32.600 0.052 0.000 1.705 176 M HN 0.598 nan 8.290 nan 0.000 0.451 177 E N 1.036 121.177 120.200 -0.097 0.000 2.191 177 E HA 0.500 4.842 4.350 -0.013 0.000 0.278 177 E C -1.016 175.583 176.600 -0.001 0.000 0.972 177 E CA -0.421 55.887 56.400 -0.153 0.000 0.804 177 E CB 1.896 31.247 29.700 -0.582 0.000 1.110 177 E HN 0.432 nan 8.360 nan 0.000 0.394 178 E N 0.995 121.278 120.200 0.138 0.000 2.272 178 E HA 0.578 4.921 4.350 -0.013 0.000 0.269 178 E C -1.188 175.516 176.600 0.173 0.000 0.877 178 E CA -1.144 55.332 56.400 0.125 0.000 0.755 178 E CB 1.494 31.283 29.700 0.148 0.000 1.192 178 E HN 0.627 nan 8.360 nan 0.000 0.422 179 A N 3.121 126.003 122.820 0.103 0.000 2.546 179 A HA -0.023 4.289 4.320 -0.013 0.000 0.243 179 A C -0.010 177.753 177.584 0.299 0.000 1.063 179 A CA 0.301 52.414 52.037 0.128 0.000 0.757 179 A CB 0.028 18.988 19.000 -0.067 0.000 0.991 179 A HN 0.621 nan 8.150 nan 0.000 0.503 180 D N 1.903 122.546 120.400 0.404 0.000 2.522 180 D HA 0.199 4.831 4.640 -0.013 0.000 0.218 180 D C -0.375 176.245 176.300 0.533 0.000 1.149 180 D CA -0.201 54.035 54.000 0.393 0.000 0.981 180 D CB 0.314 41.279 40.800 0.275 0.000 1.041 180 D HN 0.394 nan 8.370 nan 0.000 0.518 181 D N 3.672 124.345 120.400 0.456 0.000 2.688 181 D HA -0.024 4.608 4.640 -0.013 0.000 0.228 181 D C 1.127 177.536 176.300 0.180 0.000 1.116 181 D CA -0.585 53.584 54.000 0.281 0.000 1.023 181 D CB -0.176 40.805 40.800 0.301 0.000 1.100 181 D HN 0.552 nan 8.370 nan 0.000 0.487 182 W N 1.954 123.264 121.300 0.017 0.000 2.525 182 W HA -0.027 4.625 4.660 -0.013 0.000 0.259 182 W C 0.060 176.621 176.519 0.070 0.000 1.253 182 W CA 0.093 57.481 57.345 0.071 0.000 1.262 182 W CB -0.679 28.829 29.460 0.081 0.000 1.122 182 W HN 0.187 nan 8.180 nan 0.000 0.607 183 L N 1.068 121.922 121.223 -0.614 0.000 2.607 183 L HA 0.183 4.516 4.340 -0.013 0.000 0.228 183 L C 2.752 179.446 176.870 -0.293 0.000 1.123 183 L CA -0.014 54.438 54.840 -0.647 0.000 0.890 183 L CB -0.622 40.938 42.059 -0.833 0.000 1.103 183 L HN -0.101 nan 8.230 nan 0.000 0.468 184 R N 0.547 120.927 120.500 -0.200 0.000 2.096 184 R HA -0.226 4.107 4.340 -0.013 0.000 0.240 184 R C 1.440 177.547 176.300 -0.323 0.000 1.139 184 R CA 2.072 58.005 56.100 -0.279 0.000 0.952 184 R CB -0.184 29.896 30.300 -0.366 0.000 0.854 184 R HN 0.312 nan 8.270 nan 0.000 0.436 185 Y N -0.474 119.845 120.300 0.030 0.000 2.466 185 Y HA 0.319 4.861 4.550 -0.013 0.000 0.272 185 Y C 0.792 176.687 175.900 -0.008 0.000 1.169 185 Y CA 0.458 58.595 58.100 0.061 0.000 1.285 185 Y CB 0.765 39.384 38.460 0.265 0.000 1.078 185 Y HN 0.398 nan 8.280 nan 0.000 0.523 186 G N 1.457 110.298 108.800 0.069 0.000 2.719 186 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.686 186 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.686 186 G C -1.186 173.787 174.900 0.121 0.000 1.201 186 G CA -0.846 44.256 45.100 0.003 0.000 0.768 186 G HN 0.282 nan 8.290 nan 0.000 0.629 187 N N 2.224 120.931 118.700 0.012 0.000 2.511 187 N HA 0.608 5.340 4.740 -0.013 0.000 0.249 187 N C -0.458 175.057 175.510 0.008 0.000 0.971 187 N CA -2.163 50.919 53.050 0.054 0.000 0.938 187 N CB 1.819 40.259 38.487 -0.080 0.000 1.131 187 N HN 0.220 nan 8.380 nan 0.000 0.505 188 P HA 0.008 nan 4.420 nan 0.000 0.229 188 P C 0.148 177.118 177.300 -0.549 0.000 1.160 188 P CA 0.808 63.614 63.100 -0.490 0.000 0.777 188 P CB -0.011 31.182 31.700 -0.845 0.000 0.814 189 W N 1.978 123.306 121.300 0.048 0.000 3.391 189 W HA 0.176 4.828 4.660 -0.012 0.000 0.372 189 W C 0.619 177.185 176.519 0.078 0.000 1.171 189 W CA -0.617 56.749 57.345 0.035 0.000 1.862 189 W CB -0.067 29.422 29.460 0.049 0.000 1.048 189 W HN 0.086 nan 8.180 nan 0.000 0.726 190 E N 0.380 120.720 120.200 0.232 0.000 2.343 190 E HA 0.577 4.920 4.350 -0.013 0.000 0.270 190 E C -1.145 175.600 176.600 0.243 0.000 0.895 190 E CA -1.351 55.212 56.400 0.271 0.000 0.767 190 E CB 1.921 31.798 29.700 0.296 0.000 1.248 190 E HN -0.280 nan 8.360 nan 0.000 0.440 191 K N 1.446 122.006 120.400 0.266 0.000 2.502 191 K HA 0.504 4.816 4.320 -0.013 0.000 0.254 191 K C -1.127 175.493 176.600 0.034 0.000 0.947 191 K CA -0.454 55.924 56.287 0.152 0.000 0.834 191 K CB 1.643 34.228 32.500 0.141 0.000 1.112 191 K HN 0.698 nan 8.250 nan 0.000 0.427 192 A N 4.238 126.997 122.820 -0.101 0.000 2.511 192 A HA 0.326 4.638 4.320 -0.013 0.000 0.242 192 A C -0.238 177.180 177.584 -0.276 0.000 1.069 192 A CA -0.061 51.678 52.037 -0.497 0.000 0.763 192 A CB 0.194 18.892 19.000 -0.503 0.000 1.001 192 A HN 0.663 nan 8.150 nan 0.000 0.498 193 R N 3.173 123.508 120.500 -0.275 0.000 2.835 193 R HA 0.200 4.533 4.340 -0.013 0.000 0.290 193 R C -2.311 173.956 176.300 -0.055 0.000 1.410 193 R CA -1.683 54.379 56.100 -0.064 0.000 1.590 193 R CB 0.633 31.018 30.300 0.141 0.000 1.288 193 R HN 0.591 nan 8.270 nan 0.000 0.637 194 P HA -0.182 nan 4.420 nan 0.000 0.221 194 P C 0.881 178.128 177.300 -0.087 0.000 1.145 194 P CA 1.084 64.138 63.100 -0.076 0.000 0.795 194 P CB 0.384 32.035 31.700 -0.082 0.000 0.775 195 E N -0.115 119.960 120.200 -0.209 0.000 2.268 195 E HA -0.145 4.198 4.350 -0.013 0.000 0.195 195 E C 0.724 177.062 176.600 -0.437 0.000 0.995 195 E CA 0.925 57.099 56.400 -0.377 0.000 0.836 195 E CB -0.943 28.408 29.700 -0.582 0.000 0.763 195 E HN 0.301 nan 8.360 nan 0.000 0.491 196 F N 1.889 121.853 119.950 0.022 0.000 2.684 196 F HA 0.249 4.768 4.527 -0.013 0.000 0.298 196 F C 0.476 176.373 175.800 0.161 0.000 1.120 196 F CA -0.375 57.672 58.000 0.078 0.000 1.332 196 F CB 0.188 39.230 39.000 0.070 0.000 0.986 196 F HN -0.299 nan 8.300 nan 0.000 0.524 197 T N 2.986 117.676 114.554 0.228 0.000 2.928 197 T HA 0.346 4.688 4.350 -0.013 0.000 0.305 197 T C 0.017 174.816 174.700 0.166 0.000 1.035 197 T CA 0.485 62.718 62.100 0.222 0.000 1.145 197 T CB 0.484 69.430 68.868 0.130 0.000 0.963 197 T HN 0.040 nan 8.240 nan 0.000 0.545 198 L N 5.324 126.616 121.223 0.114 0.000 2.388 198 L HA 0.520 4.852 4.340 -0.013 0.000 0.264 198 L C -2.269 174.559 176.870 -0.070 0.000 0.998 198 L CA -2.535 52.303 54.840 -0.002 0.000 0.817 198 L CB 2.648 44.646 42.059 -0.100 0.000 1.338 198 L HN 0.401 nan 8.230 nan 0.000 0.414 199 P HA 0.277 nan 4.420 nan 0.000 0.288 199 P C -1.175 176.003 177.300 -0.203 0.000 1.267 199 P CA -0.377 62.644 63.100 -0.132 0.000 0.815 199 P CB 1.875 33.497 31.700 -0.129 0.000 0.989 200 V N 4.025 123.802 119.914 -0.229 0.000 2.604 200 V HA 0.331 4.444 4.120 -0.013 0.000 0.305 200 V C 0.200 176.086 176.094 -0.347 0.000 1.043 200 V CA -0.616 61.536 62.300 -0.247 0.000 0.888 200 V CB 1.422 33.141 31.823 -0.174 0.000 0.995 200 V HN 0.597 nan 8.190 nan 0.000 0.429 201 H N 3.753 122.671 119.070 -0.254 0.000 2.472 201 H HA 0.617 5.165 4.556 -0.013 0.000 0.338 201 H C -1.350 173.730 175.328 -0.414 0.000 1.133 201 H CA -0.152 55.681 56.048 -0.357 0.000 1.216 201 H CB 1.898 31.224 29.762 -0.727 0.000 1.497 201 H HN 0.465 nan 8.280 nan 0.000 0.500 202 F N 0.571 120.600 119.950 0.132 0.000 2.599 202 F HA 0.218 4.737 4.527 -0.013 0.000 0.311 202 F C -0.202 175.735 175.800 0.229 0.000 1.076 202 F CA -0.549 57.537 58.000 0.142 0.000 0.937 202 F CB 0.908 39.911 39.000 0.005 0.000 1.282 202 F HN 0.577 nan 8.300 nan 0.000 0.460 203 Y N 0.164 120.770 120.300 0.510 0.000 2.904 203 Y HA 0.008 4.550 4.550 -0.013 0.000 0.466 203 Y C 1.382 177.543 175.900 0.435 0.000 1.202 203 Y CA 0.687 59.004 58.100 0.362 0.000 2.492 203 Y CB -1.874 36.727 38.460 0.235 0.000 1.237 203 Y HN 1.309 nan 8.280 nan 0.000 0.633 204 G N 0.640 109.720 108.800 0.468 0.000 2.593 204 G HA2 0.100 4.053 3.960 -0.013 0.000 0.237 204 G HA3 0.100 4.053 3.960 -0.013 0.000 0.237 204 G C -0.603 174.516 174.900 0.364 0.000 1.312 204 G CA 0.838 46.136 45.100 0.330 0.000 0.896 204 G HN 1.355 nan 8.290 nan 0.000 0.574 205 R N -2.516 118.192 120.500 0.347 0.000 2.734 205 R HA 0.716 5.048 4.340 -0.013 0.000 0.271 205 R C -1.310 175.136 176.300 0.243 0.000 1.021 205 R CA -1.018 55.230 56.100 0.247 0.000 0.893 205 R CB 1.391 31.781 30.300 0.151 0.000 1.244 205 R HN 0.861 nan 8.270 nan 0.000 0.464 206 V N 0.882 120.856 119.914 0.100 0.000 2.394 206 V HA 0.355 4.467 4.120 -0.013 0.000 0.282 206 V C -0.169 175.880 176.094 -0.076 0.000 1.031 206 V CA -0.496 61.792 62.300 -0.020 0.000 0.881 206 V CB 1.274 33.018 31.823 -0.133 0.000 0.982 206 V HN 0.717 nan 8.190 nan 0.000 0.451 207 E N 2.854 122.981 120.200 -0.122 0.000 2.171 207 E HA 0.418 4.761 4.350 -0.013 0.000 0.271 207 E C -1.033 175.429 176.600 -0.230 0.000 0.916 207 E CA -0.716 55.628 56.400 -0.093 0.000 0.774 207 E CB 1.006 30.698 29.700 -0.015 0.000 1.128 207 E HN 0.716 nan 8.360 nan 0.000 0.403 208 H N 2.309 121.394 119.070 0.026 0.000 2.519 208 H HA 0.224 4.772 4.556 -0.013 0.000 0.316 208 H C 0.055 175.392 175.328 0.016 0.000 1.065 208 H CA -0.330 55.729 56.048 0.017 0.000 1.264 208 H CB 1.351 31.119 29.762 0.010 0.000 1.413 208 H HN 0.552 nan 8.280 nan 0.000 0.465 209 T N -0.709 113.905 114.554 0.101 0.000 2.938 209 T HA 0.184 4.526 4.350 -0.013 0.000 0.285 209 T C 1.415 176.154 174.700 0.064 0.000 1.028 209 T CA -0.796 61.343 62.100 0.066 0.000 1.005 209 T CB 1.224 70.114 68.868 0.037 0.000 1.157 209 T HN 0.388 nan 8.240 nan 0.000 0.550 210 S N 0.772 116.498 115.700 0.044 0.000 2.387 210 S HA -0.149 4.314 4.470 -0.013 0.000 0.230 210 S C 1.239 175.860 174.600 0.036 0.000 1.035 210 S CA 1.417 59.637 58.200 0.035 0.000 1.014 210 S CB -0.579 62.637 63.200 0.026 0.000 0.836 210 S HN 0.869 nan 8.310 nan 0.000 0.466 211 Q N 0.926 120.747 119.800 0.035 0.000 2.916 211 Q HA 0.575 4.908 4.340 -0.013 0.000 0.314 211 Q C 0.464 176.487 176.000 0.038 0.000 1.194 211 Q CA -0.307 55.516 55.803 0.033 0.000 1.079 211 Q CB 0.153 28.906 28.738 0.025 0.000 1.322 211 Q HN 0.277 nan 8.270 nan 0.000 0.500 212 G N 0.884 109.718 108.800 0.057 0.000 2.760 212 G HA2 -0.074 3.879 3.960 -0.013 0.000 0.246 212 G HA3 -0.074 3.879 3.960 -0.013 0.000 0.246 212 G C -0.489 174.441 174.900 0.051 0.000 1.359 212 G CA -0.601 44.540 45.100 0.069 0.000 0.861 212 G HN 0.917 nan 8.290 nan 0.000 0.541 213 A N -0.029 122.800 122.820 0.015 0.000 2.351 213 A HA 0.714 5.027 4.320 -0.013 0.000 0.257 213 A C 0.485 178.017 177.584 -0.086 0.000 1.087 213 A CA 0.434 52.391 52.037 -0.134 0.000 0.798 213 A CB 0.636 19.520 19.000 -0.193 0.000 1.033 213 A HN 0.774 nan 8.150 nan 0.000 0.488 214 K N 0.472 120.811 120.400 -0.101 0.000 2.468 214 K HA 0.207 4.520 4.320 -0.013 0.000 0.252 214 K C -1.930 174.706 176.600 0.060 0.000 0.932 214 K CA -0.351 55.927 56.287 -0.015 0.000 0.794 214 K CB 2.215 34.709 32.500 -0.012 0.000 1.241 214 K HN 0.741 nan 8.250 nan 0.000 0.428 215 W N 5.186 126.407 121.300 -0.132 0.000 2.291 215 W HA 0.376 5.028 4.660 -0.013 0.000 0.312 215 W C -0.703 175.763 176.519 -0.089 0.000 1.061 215 W CA -0.775 56.500 57.345 -0.116 0.000 1.296 215 W CB 0.222 29.600 29.460 -0.137 0.000 1.223 215 W HN 0.304 nan 8.180 nan 0.000 0.421 216 V N 2.778 122.735 119.914 0.071 0.000 3.126 216 V HA 0.620 4.732 4.120 -0.013 0.000 0.314 216 V C -0.228 175.844 176.094 -0.037 0.000 1.138 216 V CA -0.954 61.319 62.300 -0.044 0.000 1.034 216 V CB 2.024 33.852 31.823 0.008 0.000 1.075 216 V HN 0.469 nan 8.190 nan 0.000 0.442 217 D N 0.162 120.542 120.400 -0.032 0.000 2.870 217 D HA -0.136 4.496 4.640 -0.013 0.000 0.228 217 D C 0.530 176.840 176.300 0.016 0.000 1.147 217 D CA 1.541 55.546 54.000 0.009 0.000 0.757 217 D CB -1.637 39.190 40.800 0.045 0.000 1.091 217 D HN 1.327 nan 8.370 nan 0.000 0.429 218 T N -2.726 111.794 114.554 -0.058 0.000 2.882 218 T HA 0.489 4.832 4.350 -0.013 0.000 0.287 218 T C 0.500 175.256 174.700 0.092 0.000 1.014 218 T CA -0.716 61.366 62.100 -0.031 0.000 1.049 218 T CB 1.903 70.605 68.868 -0.277 0.000 1.001 218 T HN 0.037 nan 8.240 nan 0.000 0.525 219 Q N 0.545 120.471 119.800 0.210 0.000 2.235 219 Q HA 0.573 4.906 4.340 -0.013 0.000 0.250 219 Q C -0.906 175.217 176.000 0.204 0.000 0.909 219 Q CA -0.839 55.109 55.803 0.241 0.000 0.910 219 Q CB 1.695 30.649 28.738 0.361 0.000 1.223 219 Q HN 0.530 nan 8.270 nan 0.000 0.432 220 V N 2.889 122.889 119.914 0.144 0.000 2.417 220 V HA 0.413 4.525 4.120 -0.013 0.000 0.291 220 V C -0.454 175.717 176.094 0.128 0.000 1.024 220 V CA -0.678 61.620 62.300 -0.005 0.000 0.861 220 V CB 1.700 33.459 31.823 -0.107 0.000 0.985 220 V HN 0.489 nan 8.190 nan 0.000 0.436 221 V N 5.938 125.941 119.914 0.148 0.000 2.555 221 V HA 0.492 4.604 4.120 -0.013 0.000 0.302 221 V C -0.103 176.079 176.094 0.147 0.000 1.038 221 V CA -0.671 61.727 62.300 0.163 0.000 0.887 221 V CB 1.931 33.925 31.823 0.285 0.000 0.991 221 V HN 0.639 nan 8.190 nan 0.000 0.434 222 L N 3.480 124.779 121.223 0.126 0.000 2.350 222 L HA 0.710 5.042 4.340 -0.013 0.000 0.275 222 L C 0.473 177.512 176.870 0.282 0.000 1.099 222 L CA -0.273 54.649 54.840 0.136 0.000 0.808 222 L CB 1.223 43.342 42.059 0.100 0.000 1.149 222 L HN 0.763 nan 8.230 nan 0.000 0.442 223 A N 5.068 128.001 122.820 0.190 0.000 2.267 223 A HA 0.577 4.889 4.320 -0.013 0.000 0.315 223 A C -0.483 177.368 177.584 0.444 0.000 1.297 223 A CA -0.477 51.707 52.037 0.245 0.000 0.865 223 A CB 0.903 19.589 19.000 -0.522 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 6.004 125.923 119.600 0.531 0.000 2.129 224 M HA 0.460 4.933 4.480 -0.013 0.000 0.348 224 M C -2.606 173.949 176.300 0.425 0.000 1.116 224 M CA -2.119 53.430 55.300 0.415 0.000 1.022 224 M CB 1.925 34.692 32.600 0.278 0.000 1.599 224 M HN 0.336 nan 8.290 nan 0.000 0.449 225 P HA 0.252 nan 4.420 nan 0.000 0.284 225 P C -1.935 175.266 177.300 -0.166 0.000 1.253 225 P CA 0.002 62.977 63.100 -0.208 0.000 0.800 225 P CB 0.503 31.896 31.700 -0.512 0.000 0.961 226 Y N 0.567 120.790 120.300 -0.128 0.000 2.350 226 Y HA 0.332 4.875 4.550 -0.013 0.000 0.338 226 Y C 0.244 176.116 175.900 -0.047 0.000 0.961 226 Y CA -0.297 57.785 58.100 -0.031 0.000 1.100 226 Y CB 1.346 39.823 38.460 0.028 0.000 1.179 226 Y HN 0.217 nan 8.280 nan 0.000 0.454 227 D N 1.873 122.358 120.400 0.142 0.000 2.193 227 D HA 0.405 5.037 4.640 -0.013 0.000 0.244 227 D C -0.617 175.894 176.300 0.352 0.000 1.064 227 D CA -0.203 53.916 54.000 0.199 0.000 0.845 227 D CB 1.779 42.700 40.800 0.201 0.000 1.148 227 D HN 0.379 nan 8.370 nan 0.000 0.464 228 T N 3.252 117.940 114.554 0.223 0.000 2.824 228 T HA 0.473 4.815 4.350 -0.013 0.000 0.282 228 T C -2.535 172.062 174.700 -0.173 0.000 0.993 228 T CA -1.457 60.693 62.100 0.084 0.000 0.967 228 T CB 2.069 70.970 68.868 0.054 0.000 0.960 228 T HN 0.171 nan 8.240 nan 0.000 0.441 229 P HA 0.348 nan 4.420 nan 0.000 0.279 229 P C -1.025 175.967 177.300 -0.512 0.000 1.239 229 P CA -0.436 62.046 63.100 -1.030 0.000 0.789 229 P CB 0.894 31.713 31.700 -1.468 0.000 0.933 230 V N 4.993 124.655 119.914 -0.420 0.000 2.305 230 V HA 0.267 4.380 4.120 -0.013 0.000 0.275 230 V C -2.116 173.841 176.094 -0.228 0.000 1.020 230 V CA -1.916 60.226 62.300 -0.264 0.000 0.811 230 V CB 1.282 32.996 31.823 -0.181 0.000 1.031 230 V HN 0.541 nan 8.190 nan 0.000 0.439 231 P HA 0.284 nan 4.420 nan 0.000 0.285 231 P C 0.389 177.633 177.300 -0.094 0.000 1.259 231 P CA 0.259 63.262 63.100 -0.161 0.000 0.794 231 P CB 1.522 33.125 31.700 -0.162 0.000 0.940 232 G N 2.213 110.975 108.800 -0.063 0.000 2.606 232 G HA2 0.108 4.060 3.960 -0.013 0.000 0.252 232 G HA3 0.108 4.060 3.960 -0.013 0.000 0.252 232 G C -1.101 173.805 174.900 0.011 0.000 1.206 232 G CA -0.409 44.684 45.100 -0.011 0.000 0.861 232 G HN 0.471 nan 8.290 nan 0.000 0.561 233 Y N 1.170 121.429 120.300 -0.069 0.000 2.624 233 Y HA 0.213 4.755 4.550 -0.013 0.000 0.354 233 Y C 1.484 177.345 175.900 -0.065 0.000 1.051 233 Y CA -0.122 57.934 58.100 -0.074 0.000 1.377 233 Y CB -0.251 38.164 38.460 -0.075 0.000 1.168 233 Y HN 0.739 nan 8.280 nan 0.000 0.525 234 R N 2.822 123.044 120.500 -0.462 0.000 3.741 234 R HA -0.331 4.001 4.340 -0.013 0.000 0.292 234 R C 0.206 176.377 176.300 -0.215 0.000 1.176 234 R CA 1.359 57.206 56.100 -0.422 0.000 0.794 234 R CB -2.152 27.738 30.300 -0.684 0.000 1.213 234 R HN 0.938 nan 8.270 nan 0.000 0.494 235 N N -0.602 118.019 118.700 -0.132 0.000 2.177 235 N HA 0.040 4.772 4.740 -0.013 0.000 0.218 235 N C -0.039 175.425 175.510 -0.077 0.000 1.182 235 N CA -0.446 52.557 53.050 -0.079 0.000 0.882 235 N CB 0.459 38.925 38.487 -0.035 0.000 1.052 235 N HN 0.079 nan 8.380 nan 0.000 0.519 236 N N -0.199 118.450 118.700 -0.086 0.000 2.753 236 N HA -0.137 4.595 4.740 -0.013 0.000 0.251 236 N C -0.917 174.551 175.510 -0.071 0.000 1.097 236 N CA 0.601 53.607 53.050 -0.074 0.000 0.786 236 N CB -1.334 37.111 38.487 -0.070 0.000 1.137 236 N HN 0.196 nan 8.380 nan 0.000 0.566 237 V N 1.120 120.996 119.914 -0.064 0.000 2.498 237 V HA 0.382 4.495 4.120 -0.013 0.000 0.279 237 V C 0.666 176.725 176.094 -0.059 0.000 1.048 237 V CA -0.418 61.851 62.300 -0.052 0.000 0.967 237 V CB 2.035 33.852 31.823 -0.010 0.000 0.988 237 V HN -0.027 nan 8.190 nan 0.000 0.473 238 V N 5.322 125.206 119.914 -0.050 0.000 2.419 238 V HA 0.435 4.548 4.120 -0.013 0.000 0.287 238 V C -0.099 175.979 176.094 -0.028 0.000 1.017 238 V CA -0.863 61.369 62.300 -0.114 0.000 0.844 238 V CB 1.433 33.134 31.823 -0.203 0.000 1.011 238 V HN 0.839 nan 8.190 nan 0.000 0.429 239 N N 1.965 120.621 118.700 -0.074 0.000 2.448 239 N HA 0.575 5.308 4.740 -0.013 0.000 0.274 239 N C -0.063 175.427 175.510 -0.033 0.000 1.239 239 N CA -0.295 52.735 53.050 -0.032 0.000 0.982 239 N CB 1.293 39.719 38.487 -0.102 0.000 1.199 239 N HN 0.587 nan 8.380 nan 0.000 0.576 240 T N 0.771 115.312 114.554 -0.021 0.000 2.824 240 T HA 0.393 4.735 4.350 -0.013 0.000 0.282 240 T C -0.237 174.428 174.700 -0.058 0.000 0.993 240 T CA -0.509 61.654 62.100 0.105 0.000 0.967 240 T CB 1.038 70.077 68.868 0.284 0.000 0.960 240 T HN 0.293 nan 8.240 nan 0.000 0.441 241 M N 3.796 123.331 119.600 -0.108 0.000 2.101 241 M HA 0.501 4.974 4.480 -0.013 0.000 0.340 241 M C -0.489 175.663 176.300 -0.247 0.000 1.057 241 M CA -0.752 54.395 55.300 -0.255 0.000 0.984 241 M CB 0.752 33.141 32.600 -0.352 0.000 1.560 241 M HN 0.489 nan 8.290 nan 0.000 0.435 242 R N 5.892 126.134 120.500 -0.430 0.000 2.265 242 R HA 0.625 4.957 4.340 -0.013 0.000 0.328 242 R C -1.926 174.087 176.300 -0.479 0.000 0.969 242 R CA -0.419 55.379 56.100 -0.505 0.000 0.832 242 R CB 0.871 30.686 30.300 -0.808 0.000 1.139 242 R HN 0.813 nan 8.270 nan 0.000 0.457 243 L N 4.981 126.024 121.223 -0.300 0.000 2.322 243 L HA 0.509 4.842 4.340 -0.013 0.000 0.281 243 L C -0.836 175.980 176.870 -0.090 0.000 1.014 243 L CA -0.922 53.839 54.840 -0.132 0.000 0.815 243 L CB 1.555 43.628 42.059 0.023 0.000 1.247 243 L HN 0.590 nan 8.230 nan 0.000 0.421 244 W N 1.739 123.163 121.300 0.207 0.000 2.365 244 W HA 0.492 5.144 4.660 -0.013 0.000 0.316 244 W C 0.496 177.242 176.519 0.379 0.000 1.164 244 W CA -0.229 57.263 57.345 0.245 0.000 1.204 244 W CB 1.571 31.045 29.460 0.024 0.000 1.213 244 W HN 0.331 nan 8.180 nan 0.000 0.539 245 S N 1.785 117.894 115.700 0.682 0.000 2.482 245 S HA 0.771 5.233 4.470 -0.013 0.000 0.303 245 S C -0.461 174.479 174.600 0.566 0.000 1.091 245 S CA -0.709 57.795 58.200 0.507 0.000 1.057 245 S CB 0.656 64.104 63.200 0.413 0.000 1.031 245 S HN 0.519 nan 8.310 nan 0.000 0.485 246 A N 4.807 127.802 122.820 0.292 0.000 2.366 246 A HA 0.638 4.950 4.320 -0.013 0.000 0.272 246 A C -0.152 177.492 177.584 0.101 0.000 1.135 246 A CA -0.278 51.825 52.037 0.110 0.000 0.804 246 A CB 0.336 19.124 19.000 -0.353 0.000 1.064 246 A HN 0.654 nan 8.150 nan 0.000 0.499 247 K N 1.347 121.816 120.400 0.115 0.000 2.443 247 K HA 0.577 4.889 4.320 -0.013 0.000 0.252 247 K C -0.413 176.163 176.600 -0.039 0.000 0.933 247 K CA -0.417 55.897 56.287 0.045 0.000 0.792 247 K CB 2.197 34.756 32.500 0.098 0.000 1.185 247 K HN 0.844 nan 8.250 nan 0.000 0.425 248 A N 4.531 127.261 122.820 -0.151 0.000 2.425 248 A HA 0.388 4.701 4.320 -0.013 0.000 0.249 248 A C -2.082 175.451 177.584 -0.086 0.000 1.084 248 A CA -0.867 50.990 52.037 -0.300 0.000 0.781 248 A CB -0.406 18.263 19.000 -0.551 0.000 1.019 248 A HN 0.335 nan 8.150 nan 0.000 0.490 249 P HA 0.102 nan 4.420 nan 0.000 0.272 249 P C 0.209 177.585 177.300 0.127 0.000 1.230 249 P CA -0.408 62.743 63.100 0.086 0.000 0.788 249 P CB 0.542 32.318 31.700 0.126 0.000 0.949 250 N N 0.916 119.676 118.700 0.101 0.000 2.331 250 N HA -0.115 4.617 4.740 -0.013 0.000 0.180 250 N C 0.854 176.439 175.510 0.125 0.000 1.019 250 N CA 1.091 54.202 53.050 0.101 0.000 0.881 250 N CB -0.446 38.085 38.487 0.073 0.000 0.972 250 N HN 0.572 nan 8.380 nan 0.000 0.435 251 D N -0.623 119.852 120.400 0.125 0.000 2.319 251 D HA -0.091 4.541 4.640 -0.013 0.000 0.230 251 D C 0.143 176.516 176.300 0.123 0.000 1.094 251 D CA -0.494 53.570 54.000 0.106 0.000 0.856 251 D CB -0.981 39.863 40.800 0.073 0.000 0.915 251 D HN 0.045 nan 8.370 nan 0.000 0.517 252 F N 1.993 121.957 119.950 0.022 0.000 2.578 252 F HA 0.092 4.611 4.527 -0.013 0.000 0.381 252 F C 0.747 176.551 175.800 0.007 0.000 1.069 252 F CA 0.178 58.187 58.000 0.016 0.000 1.231 252 F CB 0.115 39.125 39.000 0.016 0.000 1.086 252 F HN -0.170 nan 8.300 nan 0.000 0.564 253 N N 2.721 121.047 118.700 -0.623 0.000 2.732 253 N HA -0.271 4.462 4.740 -0.013 0.000 0.250 253 N C -0.869 174.550 175.510 -0.152 0.000 1.097 253 N CA 1.406 54.205 53.050 -0.418 0.000 0.812 253 N CB -1.267 37.001 38.487 -0.365 0.000 1.148 253 N HN 0.560 nan 8.380 nan 0.000 0.572 262 Y N 1.731 122.033 120.300 0.004 0.000 2.128 262 Y HA -0.044 4.498 4.550 -0.013 0.000 0.284 262 Y C 2.702 178.612 175.900 0.017 0.000 1.154 262 Y CA 2.308 60.413 58.100 0.009 0.000 1.149 262 Y CB -0.111 38.355 38.460 0.010 0.000 0.976 262 Y HN 0.199 nan 8.280 nan 0.000 0.505 263 I N 0.510 121.028 120.570 -0.086 0.000 2.127 263 I HA -0.310 3.853 4.170 -0.013 0.000 0.241 263 I C 2.393 178.414 176.117 -0.161 0.000 1.075 263 I CA 1.824 63.020 61.300 -0.172 0.000 1.334 263 I CB -1.458 36.541 38.000 -0.001 0.000 1.040 263 I HN 0.336 nan 8.210 nan 0.000 0.405 264 Q N 1.058 120.811 119.800 -0.078 0.000 2.135 264 Q HA -0.123 4.210 4.340 -0.013 0.000 0.204 264 Q C 2.235 178.197 176.000 -0.063 0.000 0.981 264 Q CA 2.228 58.000 55.803 -0.052 0.000 0.856 264 Q CB -0.377 28.347 28.738 -0.023 0.000 0.902 264 Q HN 0.483 nan 8.270 nan 0.000 0.425 265 A N -0.805 121.959 122.820 -0.093 0.000 1.908 265 A HA -0.151 4.161 4.320 -0.013 0.000 0.218 265 A C 2.252 179.801 177.584 -0.059 0.000 1.181 265 A CA 1.737 53.728 52.037 -0.077 0.000 0.627 265 A CB -0.799 18.152 19.000 -0.081 0.000 0.818 265 A HN 0.269 nan 8.150 nan 0.000 0.445 266 V N 0.149 119.952 119.914 -0.186 0.000 2.358 266 V HA -0.225 3.887 4.120 -0.013 0.000 0.246 266 V C 2.526 178.589 176.094 -0.052 0.000 1.047 266 V CA 1.815 64.026 62.300 -0.149 0.000 1.035 266 V CB -0.763 30.877 31.823 -0.306 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.143 121.045 121.223 -0.058 0.000 2.131 267 L HA -0.164 4.168 4.340 -0.013 0.000 0.210 267 L C 2.022 178.907 176.870 0.025 0.000 1.092 267 L CA 1.306 56.136 54.840 -0.016 0.000 0.759 267 L CB -0.699 41.348 42.059 -0.020 0.000 0.903 267 L HN 0.335 nan 8.230 nan 0.000 0.435 268 D N -0.050 120.384 120.400 0.056 0.000 2.371 268 D HA -0.072 4.561 4.640 -0.013 0.000 0.221 268 D C 2.123 178.565 176.300 0.235 0.000 0.986 268 D CA 0.422 54.497 54.000 0.126 0.000 0.899 268 D CB -0.010 40.860 40.800 0.116 0.000 0.902 268 D HN 0.224 nan 8.370 nan 0.000 0.530 269 R N 0.286 120.888 120.500 0.169 0.000 2.159 269 R HA -0.089 4.243 4.340 -0.013 0.000 0.237 269 R C 1.672 177.910 176.300 -0.103 0.000 1.131 269 R CA 0.985 57.084 56.100 -0.002 0.000 0.982 269 R CB -0.287 29.998 30.300 -0.025 0.000 0.868 269 R HN 0.339 nan 8.270 nan 0.000 0.453 270 N N 0.247 118.937 118.700 -0.016 0.000 2.205 270 N HA -0.183 4.550 4.740 -0.013 0.000 0.186 270 N C 1.234 176.732 175.510 -0.021 0.000 1.015 270 N CA 0.710 53.750 53.050 -0.016 0.000 0.862 270 N CB -0.084 38.410 38.487 0.011 0.000 0.986 270 N HN 0.021 nan 8.380 nan 0.000 0.429 271 L N 0.995 122.226 121.223 0.013 0.000 2.046 271 L HA -0.129 4.204 4.340 -0.013 0.000 0.208 271 L C 2.416 179.265 176.870 -0.035 0.000 1.077 271 L CA 1.439 56.297 54.840 0.031 0.000 0.747 271 L CB -0.997 41.135 42.059 0.121 0.000 0.896 271 L HN 0.168 nan 8.230 nan 0.000 0.432 272 A N -0.976 121.753 122.820 -0.152 0.000 1.930 272 A HA -0.163 4.150 4.320 -0.013 0.000 0.217 272 A C 2.157 179.619 177.584 -0.203 0.000 1.175 272 A CA 1.402 53.291 52.037 -0.248 0.000 0.627 272 A CB -0.407 18.231 19.000 -0.603 0.000 0.815 272 A HN 0.518 nan 8.150 nan 0.000 0.443 273 E N -0.055 120.042 120.200 -0.171 0.000 2.435 273 E HA -0.069 4.273 4.350 -0.013 0.000 0.195 273 E C 1.084 177.644 176.600 -0.066 0.000 1.029 273 E CA 0.191 56.524 56.400 -0.113 0.000 0.865 273 E CB -0.136 29.519 29.700 -0.075 0.000 0.833 273 E HN 0.453 nan 8.360 nan 0.000 0.510 274 N N 1.204 119.874 118.700 -0.049 0.000 2.348 274 N HA -0.133 4.599 4.740 -0.013 0.000 0.185 274 N C 1.631 177.138 175.510 -0.006 0.000 1.019 274 N CA 0.717 53.766 53.050 -0.002 0.000 0.880 274 N CB -0.112 38.378 38.487 0.006 0.000 0.965 274 N HN 0.260 nan 8.380 nan 0.000 0.437 275 I N 0.395 120.901 120.570 -0.106 0.000 2.194 275 I HA -0.274 3.889 4.170 -0.013 0.000 0.246 275 I C 1.490 177.573 176.117 -0.056 0.000 1.093 275 I CA 1.386 62.592 61.300 -0.157 0.000 1.355 275 I CB -0.254 37.480 38.000 -0.442 0.000 1.046 275 I HN 0.142 nan 8.210 nan 0.000 0.413 276 S N -0.448 115.213 115.700 -0.065 0.000 2.583 276 S HA 0.182 4.644 4.470 -0.013 0.000 0.239 276 S C 1.481 176.223 174.600 0.236 0.000 0.966 276 S CA -0.504 57.749 58.200 0.089 0.000 0.973 276 S CB 0.212 63.447 63.200 0.060 0.000 0.794 276 S HN 0.225 nan 8.310 nan 0.000 0.463 277 R N 1.228 121.869 120.500 0.236 0.000 2.075 277 R HA 0.286 4.618 4.340 -0.013 0.000 0.226 277 R C 0.348 176.910 176.300 0.438 0.000 1.114 277 R CA 1.015 57.298 56.100 0.305 0.000 0.972 277 R CB -0.165 30.275 30.300 0.233 0.000 0.869 277 R HN 0.389 nan 8.270 nan 0.000 0.437 278 V N 0.397 120.527 119.914 0.361 0.000 2.932 278 V HA 0.349 4.461 4.120 -0.013 0.000 0.307 278 V C -1.637 174.420 176.094 -0.062 0.000 1.147 278 V CA -1.376 61.050 62.300 0.211 0.000 0.951 278 V CB 1.780 33.649 31.823 0.076 0.000 1.031 278 V HN 0.139 nan 8.190 nan 0.000 0.426 279 L N 6.937 127.896 121.223 -0.441 0.000 2.410 279 L HA 0.464 4.796 4.340 -0.013 0.000 0.273 279 L C -0.811 175.899 176.870 -0.266 0.000 1.144 279 L CA 0.460 54.836 54.840 -0.774 0.000 0.863 279 L CB 0.397 41.962 42.059 -0.823 0.000 1.140 279 L HN 0.678 nan 8.230 nan 0.000 0.463 280 Y N 7.198 127.400 120.300 -0.163 0.000 2.569 280 Y HA 0.175 4.717 4.550 -0.013 0.000 0.332 280 Y C -1.306 174.587 175.900 -0.013 0.000 1.120 280 Y CA -1.118 56.963 58.100 -0.031 0.000 1.416 280 Y CB 0.342 38.810 38.460 0.012 0.000 1.210 280 Y HN 0.584 nan 8.280 nan 0.000 0.528 281 P HA 0.010 nan 4.420 nan 0.000 0.257 281 P C -0.874 176.561 177.300 0.224 0.000 1.325 281 P CA 0.184 63.392 63.100 0.179 0.000 0.850 281 P CB 0.260 32.147 31.700 0.311 0.000 1.324 282 N N 2.422 121.265 118.700 0.238 0.000 2.444 282 N HA 0.130 4.862 4.740 -0.013 0.000 0.271 282 N C -0.194 175.454 175.510 0.230 0.000 1.069 282 N CA 0.109 53.317 53.050 0.264 0.000 0.965 282 N CB 1.165 39.842 38.487 0.316 0.000 1.092 282 N HN 0.212 nan 8.380 nan 0.000 0.476 283 D N 0.580 121.134 120.400 0.256 0.000 2.248 283 D HA 0.200 4.833 4.640 -0.013 0.000 0.246 283 D C 0.069 176.550 176.300 0.303 0.000 1.027 283 D CA -0.508 53.635 54.000 0.239 0.000 0.853 283 D CB 0.735 41.661 40.800 0.210 0.000 1.243 283 D HN 0.293 nan 8.370 nan 0.000 0.462 284 N N 0.008 118.864 118.700 0.260 0.000 2.710 284 N HA -0.245 4.488 4.740 -0.013 0.000 0.249 284 N C -1.095 174.633 175.510 0.363 0.000 1.059 284 N CA 0.722 53.924 53.050 0.252 0.000 0.720 284 N CB -1.115 37.492 38.487 0.199 0.000 0.983 284 N HN 0.509 nan 8.380 nan 0.000 0.544 285 F N 0.397 120.441 119.950 0.157 0.000 2.605 285 F HA 0.444 4.963 4.527 -0.013 0.000 0.320 285 F C -1.243 174.633 175.800 0.127 0.000 1.159 285 F CA -1.204 56.866 58.000 0.118 0.000 0.999 285 F CB 0.904 39.931 39.000 0.045 0.000 1.258 285 F HN -0.077 nan 8.300 nan 0.000 0.464 286 F N 5.838 125.310 119.950 -0.797 0.000 2.411 286 F HA 0.501 5.020 4.527 -0.013 0.000 0.350 286 F C -0.497 174.853 175.800 -0.751 0.000 1.114 286 F CA -0.283 57.338 58.000 -0.630 0.000 1.135 286 F CB 0.853 39.544 39.000 -0.513 0.000 1.120 286 F HN 0.579 nan 8.300 nan 0.000 0.495 287 E N 3.601 123.120 120.200 -1.134 0.000 2.185 287 E HA 0.383 4.725 4.350 -0.013 0.000 0.261 287 E C -0.163 175.650 176.600 -1.312 0.000 0.879 287 E CA -0.710 55.142 56.400 -0.914 0.000 0.756 287 E CB 1.230 30.774 29.700 -0.260 0.000 1.152 287 E HN 0.910 nan 8.360 nan 0.000 0.416 288 G N 5.213 113.256 108.800 -1.260 0.000 3.316 288 G HA2 0.045 3.997 3.960 -0.013 0.000 0.255 288 G HA3 0.045 3.997 3.960 -0.013 0.000 0.255 288 G C -0.102 174.724 174.900 -0.124 0.000 0.880 288 G CA -0.235 44.327 45.100 -0.897 0.000 1.956 288 G HN 0.193 nan 8.290 nan 0.000 0.634 289 K N 0.562 120.943 120.400 -0.032 0.000 2.130 289 K HA 0.186 4.499 4.320 -0.013 0.000 0.268 289 K C 0.888 177.616 176.600 0.214 0.000 0.983 289 K CA -0.648 55.708 56.287 0.114 0.000 0.893 289 K CB 2.371 34.938 32.500 0.111 0.000 1.066 289 K HN 0.436 nan 8.250 nan 0.000 0.450 290 E N 1.658 121.952 120.200 0.157 0.000 2.085 290 E HA -0.221 4.121 4.350 -0.013 0.000 0.194 290 E C 1.534 178.158 176.600 0.041 0.000 0.994 290 E CA 1.041 57.489 56.400 0.078 0.000 0.801 290 E CB 0.156 29.905 29.700 0.081 0.000 0.743 290 E HN 0.412 nan 8.360 nan 0.000 0.453 291 L N 1.354 122.641 121.223 0.108 0.000 2.042 291 L HA -0.192 4.141 4.340 -0.013 0.000 0.210 291 L C 2.474 179.421 176.870 0.127 0.000 1.076 291 L CA 1.915 56.835 54.840 0.133 0.000 0.749 291 L CB -0.585 41.625 42.059 0.251 0.000 0.893 291 L HN 0.020 nan 8.230 nan 0.000 0.432 292 R N -0.622 119.895 120.500 0.027 0.000 2.081 292 R HA -0.174 4.159 4.340 -0.013 0.000 0.235 292 R C 2.130 178.457 176.300 0.045 0.000 1.131 292 R CA 1.897 57.932 56.100 -0.108 0.000 0.960 292 R CB -1.016 29.001 30.300 -0.472 0.000 0.856 292 R HN 0.418 nan 8.270 nan 0.000 0.436 293 L N 0.894 122.069 121.223 -0.080 0.000 2.046 293 L HA -0.090 4.242 4.340 -0.013 0.000 0.208 293 L C 1.726 178.528 176.870 -0.114 0.000 1.077 293 L CA 1.924 56.511 54.840 -0.421 0.000 0.747 293 L CB -0.412 41.108 42.059 -0.900 0.000 0.896 293 L HN 0.159 nan 8.230 nan 0.000 0.432 294 K N -0.983 119.397 120.400 -0.033 0.000 2.097 294 K HA -0.202 4.110 4.320 -0.013 0.000 0.206 294 K C 2.094 178.847 176.600 0.255 0.000 1.049 294 K CA 1.751 58.089 56.287 0.084 0.000 0.933 294 K CB -0.185 32.188 32.500 -0.213 0.000 0.717 294 K HN 0.525 nan 8.250 nan 0.000 0.442 295 Q N 0.646 120.562 119.800 0.194 0.000 2.050 295 Q HA -0.184 4.148 4.340 -0.013 0.000 0.202 295 Q C 1.951 178.147 176.000 0.327 0.000 0.980 295 Q CA 1.431 57.407 55.803 0.288 0.000 0.840 295 Q CB -0.013 28.912 28.738 0.313 0.000 0.898 295 Q HN 0.384 nan 8.270 nan 0.000 0.424 296 E N -0.209 120.135 120.200 0.241 0.000 2.077 296 E HA -0.214 4.128 4.350 -0.013 0.000 0.193 296 E C 1.730 178.443 176.600 0.189 0.000 0.989 296 E CA 1.044 57.571 56.400 0.211 0.000 0.800 296 E CB -0.129 29.672 29.700 0.168 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.328 120.672 120.300 0.074 0.000 2.263 297 Y HA -0.194 4.348 4.550 -0.013 0.000 0.292 297 Y C 1.957 177.887 175.900 0.050 0.000 1.130 297 Y CA 0.964 59.062 58.100 -0.003 0.000 1.179 297 Y CB -0.347 38.075 38.460 -0.063 0.000 0.998 297 Y HN 0.006 nan 8.280 nan 0.000 0.532 298 F N -0.284 119.660 119.950 -0.011 0.000 2.065 298 F HA -0.253 4.267 4.527 -0.013 0.000 0.298 298 F C 2.500 178.152 175.800 -0.246 0.000 1.112 298 F CA 2.021 59.966 58.000 -0.092 0.000 1.212 298 F CB -1.064 38.032 39.000 0.159 0.000 0.975 298 F HN -0.051 nan 8.300 nan 0.000 0.476 299 V N -0.535 119.345 119.914 -0.057 0.000 2.427 299 V HA -0.196 3.917 4.120 -0.013 0.000 0.248 299 V C 2.168 178.113 176.094 -0.248 0.000 1.051 299 V CA 1.929 64.160 62.300 -0.114 0.000 1.048 299 V CB -0.370 31.584 31.823 0.218 0.000 0.666 299 V HN 0.251 nan 8.190 nan 0.000 0.456 300 V N 0.412 120.183 119.914 -0.237 0.000 2.307 300 V HA -0.150 3.962 4.120 -0.013 0.000 0.245 300 V C 2.808 178.641 176.094 -0.435 0.000 1.045 300 V CA 2.068 64.214 62.300 -0.258 0.000 1.024 300 V CB -1.036 30.697 31.823 -0.150 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.099 122.288 122.820 -0.722 0.000 1.877 301 A HA -0.099 4.213 4.320 -0.013 0.000 0.216 301 A C 2.411 179.625 177.584 -0.617 0.000 1.186 301 A CA 2.100 53.706 52.037 -0.717 0.000 0.620 301 A CB -0.839 17.528 19.000 -1.055 0.000 0.822 301 A HN 0.555 nan 8.150 nan 0.000 0.443 302 A N -0.990 121.303 122.820 -0.879 0.000 1.877 302 A HA -0.079 4.233 4.320 -0.013 0.000 0.216 302 A C 2.325 179.436 177.584 -0.789 0.000 1.186 302 A CA 2.337 53.671 52.037 -1.172 0.000 0.620 302 A CB -1.333 16.271 19.000 -2.328 0.000 0.822 302 A HN 0.432 nan 8.150 nan 0.000 0.443 303 T N 0.554 114.771 114.554 -0.563 0.000 2.708 303 T HA -0.101 4.242 4.350 -0.013 0.000 0.266 303 T C 1.837 176.274 174.700 -0.438 0.000 1.037 303 T CA 1.470 63.344 62.100 -0.377 0.000 1.146 303 T CB -0.413 68.228 68.868 -0.379 0.000 0.865 303 T HN 0.340 nan 8.240 nan 0.000 0.435 304 L N 0.660 121.672 121.223 -0.353 0.000 2.083 304 L HA -0.169 4.164 4.340 -0.013 0.000 0.209 304 L C 2.943 179.699 176.870 -0.191 0.000 1.083 304 L CA 1.428 56.112 54.840 -0.260 0.000 0.752 304 L CB -0.546 41.399 42.059 -0.191 0.000 0.899 304 L HN 0.355 nan 8.230 nan 0.000 0.433 305 Q N -0.454 119.232 119.800 -0.190 0.000 2.084 305 Q HA -0.259 4.074 4.340 -0.013 0.000 0.202 305 Q C 1.813 177.784 176.000 -0.049 0.000 0.978 305 Q CA 1.861 57.602 55.803 -0.103 0.000 0.844 305 Q CB -0.049 28.614 28.738 -0.124 0.000 0.898 305 Q HN 0.395 nan 8.270 nan 0.000 0.426 306 D N 0.252 120.614 120.400 -0.063 0.000 2.117 306 D HA -0.108 4.525 4.640 -0.013 0.000 0.198 306 D C 1.654 177.902 176.300 -0.088 0.000 0.982 306 D CA 0.878 54.888 54.000 0.016 0.000 0.828 306 D CB -0.029 40.883 40.800 0.185 0.000 0.967 306 D HN 0.171 nan 8.370 nan 0.000 0.464 307 I N 0.127 120.533 120.570 -0.274 0.000 2.179 307 I HA -0.254 3.908 4.170 -0.013 0.000 0.242 307 I C 2.313 178.432 176.117 0.003 0.000 1.088 307 I CA 0.795 61.875 61.300 -0.367 0.000 1.357 307 I CB -0.186 37.434 38.000 -0.634 0.000 1.051 307 I HN 0.053 nan 8.210 nan 0.000 0.409 308 I N 0.275 120.902 120.570 0.095 0.000 2.226 308 I HA -0.296 3.866 4.170 -0.013 0.000 0.245 308 I C 2.784 179.059 176.117 0.264 0.000 1.100 308 I CA 1.229 62.697 61.300 0.281 0.000 1.374 308 I CB -0.399 37.721 38.000 0.199 0.000 1.057 308 I HN 0.175 nan 8.210 nan 0.000 0.413 309 R N 1.110 121.699 120.500 0.149 0.000 2.096 309 R HA -0.233 4.100 4.340 -0.013 0.000 0.240 309 R C 2.501 178.877 176.300 0.128 0.000 1.139 309 R CA 1.795 57.973 56.100 0.130 0.000 0.952 309 R CB -0.258 30.106 30.300 0.106 0.000 0.854 309 R HN 0.200 nan 8.270 nan 0.000 0.436 310 R N -0.701 119.869 120.500 0.116 0.000 2.092 310 R HA -0.150 4.182 4.340 -0.013 0.000 0.231 310 R C 2.129 178.521 176.300 0.152 0.000 1.119 310 R CA 1.573 57.742 56.100 0.115 0.000 0.970 310 R CB -0.333 30.017 30.300 0.082 0.000 0.864 310 R HN 0.302 nan 8.270 nan 0.000 0.440 311 F N 1.469 121.451 119.950 0.053 0.000 2.146 311 F HA -0.110 4.409 4.527 -0.013 0.000 0.298 311 F C 1.635 177.442 175.800 0.011 0.000 1.096 311 F CA 1.531 59.555 58.000 0.039 0.000 1.275 311 F CB 0.063 39.135 39.000 0.120 0.000 1.008 311 F HN -0.138 nan 8.300 nan 0.000 0.480 312 K N -0.311 120.070 120.400 -0.032 0.000 2.217 312 K HA -0.022 4.290 4.320 -0.013 0.000 0.202 312 K C 1.595 178.110 176.600 -0.141 0.000 1.051 312 K CA 1.148 57.337 56.287 -0.163 0.000 0.952 312 K CB -0.199 32.312 32.500 0.018 0.000 0.736 312 K HN 0.123 nan 8.250 nan 0.000 0.453 313 S N 1.044 116.717 115.700 -0.045 0.000 2.754 313 S HA 0.087 4.549 4.470 -0.013 0.000 0.223 313 S C 0.266 174.855 174.600 -0.018 0.000 0.951 313 S CA -0.195 58.016 58.200 0.018 0.000 0.954 313 S CB 0.135 63.402 63.200 0.113 0.000 0.780 313 S HN 0.117 nan 8.310 nan 0.000 0.509 325 N N 0.642 119.326 118.700 -0.027 0.000 2.511 325 N HA 0.536 5.268 4.740 -0.013 0.000 0.249 325 N C -0.710 174.851 175.510 0.086 0.000 0.971 325 N CA -0.549 52.543 53.050 0.069 0.000 0.938 325 N CB 0.362 38.887 38.487 0.063 0.000 1.131 325 N HN 0.161 nan 8.380 nan 0.000 0.505 326 F N 0.839 120.881 119.950 0.152 0.000 2.811 326 F HA 0.125 4.644 4.527 -0.013 0.000 0.301 326 F C 1.206 177.064 175.800 0.097 0.000 1.151 326 F CA 0.013 58.078 58.000 0.108 0.000 1.412 326 F CB 0.257 39.199 39.000 -0.098 0.000 1.113 326 F HN 0.494 nan 8.300 nan 0.000 0.579 327 D N 0.489 121.023 120.400 0.223 0.000 2.182 327 D HA -0.174 4.458 4.640 -0.013 0.000 0.201 327 D C 2.182 178.574 176.300 0.154 0.000 0.986 327 D CA 1.310 55.403 54.000 0.154 0.000 0.847 327 D CB -0.110 40.756 40.800 0.111 0.000 0.942 327 D HN 0.237 nan 8.370 nan 0.000 0.467 328 A N -0.808 122.132 122.820 0.200 0.000 2.251 328 A HA 0.098 4.410 4.320 -0.013 0.000 0.209 328 A C 1.550 179.264 177.584 0.216 0.000 1.187 328 A CA -0.267 51.889 52.037 0.198 0.000 0.823 328 A CB -0.683 18.438 19.000 0.202 0.000 0.846 328 A HN 0.177 nan 8.150 nan 0.000 0.486 329 F N 2.074 121.991 119.950 -0.055 0.000 2.065 329 F HA -0.130 4.390 4.527 -0.013 0.000 0.298 329 F C -0.807 174.895 175.800 -0.163 0.000 1.112 329 F CA 2.457 60.217 58.000 -0.400 0.000 1.212 329 F CB -0.780 37.982 39.000 -0.397 0.000 0.975 329 F HN 0.191 nan 8.300 nan 0.000 0.476 330 P HA -0.093 nan 4.420 nan 0.000 0.226 330 P C 0.786 178.051 177.300 -0.059 0.000 1.153 330 P CA 1.478 64.555 63.100 -0.040 0.000 0.777 330 P CB -0.102 31.601 31.700 0.005 0.000 0.794 331 D N -0.657 119.730 120.400 -0.021 0.000 2.277 331 D HA -0.044 4.588 4.640 -0.013 0.000 0.208 331 D C 1.481 177.772 176.300 -0.016 0.000 0.962 331 D CA 0.935 54.933 54.000 -0.004 0.000 0.865 331 D CB 0.094 40.911 40.800 0.028 0.000 0.939 331 D HN 0.170 nan 8.370 nan 0.000 0.510 332 K N 0.075 120.446 120.400 -0.048 0.000 2.373 332 K HA 0.209 4.522 4.320 -0.013 0.000 0.200 332 K C -0.073 176.450 176.600 -0.129 0.000 1.054 332 K CA 0.062 56.331 56.287 -0.030 0.000 1.065 332 K CB 2.347 34.932 32.500 0.142 0.000 0.886 332 K HN -0.060 nan 8.250 nan 0.000 0.546 333 V N 1.081 120.832 119.914 -0.272 0.000 2.623 333 V HA 0.585 4.698 4.120 -0.013 0.000 0.304 333 V C -1.075 174.931 176.094 -0.147 0.000 1.054 333 V CA -1.257 60.873 62.300 -0.283 0.000 0.882 333 V CB 1.795 33.126 31.823 -0.820 0.000 1.002 333 V HN 0.114 nan 8.190 nan 0.000 0.424 334 A N 5.814 128.601 122.820 -0.056 0.000 2.343 334 A HA 0.927 5.239 4.320 -0.013 0.000 0.316 334 A C -0.918 176.695 177.584 0.048 0.000 1.104 334 A CA -0.500 51.538 52.037 0.002 0.000 0.768 334 A CB 0.965 19.930 19.000 -0.059 0.000 1.213 334 A HN 0.774 nan 8.150 nan 0.000 0.456 335 I N 1.810 122.447 120.570 0.113 0.000 2.355 335 I HA 0.295 4.457 4.170 -0.013 0.000 0.288 335 I C -0.241 175.962 176.117 0.143 0.000 0.999 335 I CA -0.525 60.850 61.300 0.126 0.000 1.163 335 I CB 1.885 39.940 38.000 0.091 0.000 1.316 335 I HN 0.696 nan 8.210 nan 0.000 0.454 336 Q N 6.778 126.657 119.800 0.133 0.000 2.314 336 Q HA 0.493 4.826 4.340 -0.013 0.000 0.259 336 Q C -1.292 174.691 176.000 -0.029 0.000 0.951 336 Q CA -0.255 55.642 55.803 0.157 0.000 0.909 336 Q CB 1.245 30.177 28.738 0.324 0.000 1.236 336 Q HN 0.566 nan 8.270 nan 0.000 0.444 337 L N 3.802 125.049 121.223 0.040 0.000 2.261 337 L HA 0.387 4.719 4.340 -0.013 0.000 0.289 337 L C 0.053 176.937 176.870 0.023 0.000 1.059 337 L CA -0.723 54.135 54.840 0.030 0.000 0.816 337 L CB 0.609 42.736 42.059 0.112 0.000 1.191 337 L HN 0.563 nan 8.230 nan 0.000 0.431 338 N N 3.513 122.152 118.700 -0.102 0.000 2.448 338 N HA 0.099 4.832 4.740 -0.013 0.000 0.250 338 N C -0.168 175.347 175.510 0.008 0.000 1.136 338 N CA 0.395 53.430 53.050 -0.024 0.000 0.953 338 N CB -0.031 38.358 38.487 -0.163 0.000 1.251 338 N HN 0.698 nan 8.380 nan 0.000 0.502 339 D N -0.377 120.126 120.400 0.171 0.000 3.841 339 D HA -0.260 4.373 4.640 -0.013 0.000 0.276 339 D C 0.391 176.769 176.300 0.131 0.000 2.088 339 D CA 2.077 56.155 54.000 0.131 0.000 1.152 339 D CB -0.338 40.322 40.800 -0.232 0.000 0.944 339 D HN 0.519 nan 8.370 nan 0.000 1.144 340 T N -3.219 111.347 114.554 0.019 0.000 3.129 340 T HA 0.107 4.449 4.350 -0.013 0.000 0.251 340 T C 1.402 176.165 174.700 0.105 0.000 1.117 340 T CA 1.337 63.444 62.100 0.012 0.000 1.034 340 T CB -0.477 68.374 68.868 -0.028 0.000 0.968 340 T HN 0.519 nan 8.240 nan 0.000 0.526 341 H N 2.604 121.762 119.070 0.147 0.000 2.387 341 H HA 0.003 4.551 4.556 -0.013 0.000 0.299 341 H C -0.924 174.492 175.328 0.146 0.000 1.099 341 H CA 0.928 57.077 56.048 0.168 0.000 1.315 341 H CB -0.915 28.949 29.762 0.170 0.000 1.380 341 H HN 0.443 nan 8.280 nan 0.000 0.513 342 P HA 0.097 nan 4.420 nan 0.000 0.262 342 P C 0.668 178.008 177.300 0.066 0.000 1.651 342 P CA 0.279 63.455 63.100 0.126 0.000 1.119 342 P CB 0.412 32.176 31.700 0.106 0.000 1.552 343 S N -0.271 115.462 115.700 0.054 0.000 2.440 343 S HA -0.131 4.331 4.470 -0.013 0.000 0.238 343 S C 1.746 176.343 174.600 -0.005 0.000 1.010 343 S CA 0.803 58.996 58.200 -0.012 0.000 0.972 343 S CB -1.475 61.695 63.200 -0.050 0.000 0.774 343 S HN 0.150 nan 8.310 nan 0.000 0.501 344 L N 1.060 122.294 121.223 0.018 0.000 2.450 344 L HA -0.014 4.318 4.340 -0.013 0.000 0.224 344 L C 2.951 179.844 176.870 0.039 0.000 1.149 344 L CA 0.654 55.503 54.840 0.016 0.000 0.816 344 L CB -0.803 41.263 42.059 0.013 0.000 0.932 344 L HN 0.468 nan 8.230 nan 0.000 0.449 345 A N 0.599 123.428 122.820 0.013 0.000 1.948 345 A HA -0.225 4.087 4.320 -0.013 0.000 0.220 345 A C 2.188 179.766 177.584 -0.010 0.000 1.177 345 A CA 1.685 53.717 52.037 -0.009 0.000 0.636 345 A CB -0.517 18.471 19.000 -0.019 0.000 0.815 345 A HN 0.383 nan 8.150 nan 0.000 0.449 346 I N 0.152 120.717 120.570 -0.008 0.000 2.133 346 I HA -0.139 4.023 4.170 -0.013 0.000 0.238 346 I C -0.391 175.739 176.117 0.021 0.000 1.074 346 I CA 1.544 62.837 61.300 -0.012 0.000 1.342 346 I CB -0.877 37.116 38.000 -0.012 0.000 1.053 346 I HN 0.252 nan 8.210 nan 0.000 0.404 347 P HA -0.148 nan 4.420 nan 0.000 0.222 347 P C 1.251 178.585 177.300 0.057 0.000 1.153 347 P CA 1.371 64.508 63.100 0.062 0.000 0.798 347 P CB 0.058 31.816 31.700 0.096 0.000 0.796 348 E N 0.281 120.569 120.200 0.146 0.000 2.072 348 E HA -0.147 4.196 4.350 -0.013 0.000 0.191 348 E C 1.907 178.493 176.600 -0.024 0.000 0.985 348 E CA 0.651 57.147 56.400 0.161 0.000 0.801 348 E CB -1.185 28.647 29.700 0.221 0.000 0.750 348 E HN -0.027 nan 8.360 nan 0.000 0.452 349 L N 0.058 121.235 121.223 -0.076 0.000 2.017 349 L HA -0.125 4.207 4.340 -0.013 0.000 0.208 349 L C 2.093 178.819 176.870 -0.240 0.000 1.073 349 L CA 1.840 56.574 54.840 -0.176 0.000 0.745 349 L CB -0.675 41.282 42.059 -0.169 0.000 0.894 349 L HN 0.241 nan 8.230 nan 0.000 0.432 350 M N -0.770 118.705 119.600 -0.208 0.000 2.108 350 M HA -0.242 4.231 4.480 -0.013 0.000 0.261 350 M C 2.432 178.574 176.300 -0.263 0.000 1.066 350 M CA 1.636 56.766 55.300 -0.283 0.000 1.107 350 M CB -1.291 31.130 32.600 -0.297 0.000 1.356 350 M HN 0.343 nan 8.290 nan 0.000 0.406 351 R N 0.078 120.450 120.500 -0.214 0.000 2.080 351 R HA -0.135 4.197 4.340 -0.013 0.000 0.236 351 R C 2.083 178.278 176.300 -0.176 0.000 1.137 351 R CA 1.765 57.737 56.100 -0.213 0.000 0.943 351 R CB -0.196 29.928 30.300 -0.293 0.000 0.846 351 R HN 0.225 nan 8.270 nan 0.000 0.431 352 V N 1.468 121.276 119.914 -0.177 0.000 2.295 352 V HA -0.257 3.855 4.120 -0.013 0.000 0.246 352 V C 2.419 178.344 176.094 -0.282 0.000 1.049 352 V CA 1.759 63.944 62.300 -0.191 0.000 1.024 352 V CB -0.435 31.272 31.823 -0.193 0.000 0.648 352 V HN 0.343 nan 8.190 nan 0.000 0.447 353 L N -0.610 120.384 121.223 -0.382 0.000 2.056 353 L HA -0.116 4.216 4.340 -0.013 0.000 0.207 353 L C 2.388 179.074 176.870 -0.306 0.000 1.078 353 L CA 1.042 55.591 54.840 -0.485 0.000 0.749 353 L CB -0.576 41.148 42.059 -0.559 0.000 0.901 353 L HN 0.206 nan 8.230 nan 0.000 0.433 354 V N -0.586 119.191 119.914 -0.228 0.000 2.331 354 V HA -0.175 3.938 4.120 -0.013 0.000 0.242 354 V C 1.920 177.970 176.094 -0.073 0.000 1.034 354 V CA 1.670 63.899 62.300 -0.119 0.000 1.027 354 V CB -0.340 31.442 31.823 -0.068 0.000 0.667 354 V HN 0.348 nan 8.190 nan 0.000 0.457 355 D N -0.134 120.216 120.400 -0.083 0.000 2.194 355 D HA 0.020 4.652 4.640 -0.013 0.000 0.204 355 D C 1.997 178.267 176.300 -0.050 0.000 0.964 355 D CA 1.074 55.042 54.000 -0.053 0.000 0.846 355 D CB 0.148 40.914 40.800 -0.056 0.000 0.962 355 D HN 0.333 nan 8.370 nan 0.000 0.490 356 L N 0.118 121.295 121.223 -0.076 0.000 2.362 356 L HA 0.134 4.466 4.340 -0.013 0.000 0.204 356 L C 1.803 178.642 176.870 -0.051 0.000 1.060 356 L CA 0.448 55.255 54.840 -0.055 0.000 0.827 356 L CB 0.155 42.180 42.059 -0.056 0.000 1.027 356 L HN -0.200 nan 8.230 nan 0.000 0.474 357 E N 0.417 120.555 120.200 -0.104 0.000 2.447 357 E HA 0.056 4.398 4.350 -0.013 0.000 0.195 357 E C 0.066 176.637 176.600 -0.050 0.000 1.028 357 E CA -0.047 56.303 56.400 -0.082 0.000 0.876 357 E CB 0.399 29.950 29.700 -0.249 0.000 0.885 357 E HN 0.199 nan 8.360 nan 0.000 0.500 358 R N -0.101 120.363 120.500 -0.060 0.000 3.651 358 R HA -0.186 4.146 4.340 -0.013 0.000 0.292 358 R C -0.329 175.961 176.300 -0.018 0.000 1.161 358 R CA 0.252 56.339 56.100 -0.023 0.000 0.787 358 R CB -2.839 27.465 30.300 0.006 0.000 1.249 358 R HN 0.074 nan 8.270 nan 0.000 0.476 359 L N 2.155 123.340 121.223 -0.062 0.000 2.436 359 L HA 0.142 4.474 4.340 -0.013 0.000 0.265 359 L C 1.520 178.386 176.870 -0.007 0.000 1.168 359 L CA 0.246 55.060 54.840 -0.044 0.000 0.815 359 L CB 0.384 42.372 42.059 -0.119 0.000 1.109 359 L HN 0.150 nan 8.230 nan 0.000 0.462 360 D N 0.836 121.255 120.400 0.032 0.000 2.368 360 D HA -0.145 4.487 4.640 -0.013 0.000 0.240 360 D C 0.910 177.277 176.300 0.112 0.000 1.169 360 D CA -0.509 53.543 54.000 0.087 0.000 0.906 360 D CB 0.713 41.570 40.800 0.096 0.000 1.187 360 D HN 0.624 nan 8.370 nan 0.000 0.435 361 W N 1.980 123.284 121.300 0.006 0.000 2.317 361 W HA -0.223 4.429 4.660 -0.013 0.000 0.318 361 W C 1.114 177.676 176.519 0.073 0.000 1.227 361 W CA 1.875 59.230 57.345 0.016 0.000 1.269 361 W CB -0.275 29.175 29.460 -0.016 0.000 1.155 361 W HN 0.476 nan 8.180 nan 0.000 0.484 362 D N 0.296 120.889 120.400 0.322 0.000 2.144 362 D HA -0.187 4.445 4.640 -0.013 0.000 0.199 362 D C 1.869 178.268 176.300 0.166 0.000 0.984 362 D CA 1.729 55.898 54.000 0.281 0.000 0.834 362 D CB -0.324 40.618 40.800 0.237 0.000 0.955 362 D HN 0.116 nan 8.370 nan 0.000 0.465 363 K N 1.401 121.856 120.400 0.092 0.000 2.062 363 K HA 0.023 4.335 4.320 -0.013 0.000 0.205 363 K C 1.887 178.472 176.600 -0.024 0.000 1.051 363 K CA 1.323 57.637 56.287 0.044 0.000 0.941 363 K CB -0.506 32.017 32.500 0.038 0.000 0.719 363 K HN -0.025 nan 8.250 nan 0.000 0.440 364 A N 0.761 123.522 122.820 -0.099 0.000 1.883 364 A HA -0.205 4.107 4.320 -0.013 0.000 0.217 364 A C 2.253 179.732 177.584 -0.175 0.000 1.186 364 A CA 1.603 53.511 52.037 -0.215 0.000 0.624 364 A CB -1.267 17.538 19.000 -0.326 0.000 0.822 364 A HN 0.704 nan 8.150 nan 0.000 0.444 365 W N 0.598 121.675 121.300 -0.371 0.000 2.358 365 W HA -0.176 4.476 4.660 -0.013 0.000 0.303 365 W C 2.012 178.467 176.519 -0.106 0.000 1.208 365 W CA 1.851 59.031 57.345 -0.275 0.000 1.274 365 W CB -0.130 29.202 29.460 -0.213 0.000 1.138 365 W HN 0.627 nan 8.180 nan 0.000 0.515 366 E N 0.102 120.290 120.200 -0.020 0.000 2.077 366 E HA -0.225 4.117 4.350 -0.013 0.000 0.193 366 E C 2.040 178.562 176.600 -0.129 0.000 0.989 366 E CA 1.935 58.290 56.400 -0.075 0.000 0.800 366 E CB -0.318 29.398 29.700 0.025 0.000 0.746 366 E HN 0.056 nan 8.360 nan 0.000 0.452 367 V N 0.707 120.559 119.914 -0.103 0.000 2.295 367 V HA -0.254 3.859 4.120 -0.013 0.000 0.246 367 V C 2.394 178.423 176.094 -0.109 0.000 1.049 367 V CA 2.173 64.431 62.300 -0.070 0.000 1.024 367 V CB -0.761 31.012 31.823 -0.083 0.000 0.648 367 V HN 0.387 nan 8.190 nan 0.000 0.447 368 T N 0.055 114.470 114.554 -0.231 0.000 2.652 368 T HA -0.182 4.160 4.350 -0.013 0.000 0.267 368 T C 1.960 176.479 174.700 -0.301 0.000 1.039 368 T CA 1.792 63.729 62.100 -0.272 0.000 1.153 368 T CB -0.296 68.355 68.868 -0.362 0.000 0.863 368 T HN 0.266 nan 8.240 nan 0.000 0.428 369 V N 1.483 121.100 119.914 -0.495 0.000 2.287 369 V HA -0.200 3.912 4.120 -0.013 0.000 0.248 369 V C 2.391 178.440 176.094 -0.074 0.000 1.053 369 V CA 1.704 63.772 62.300 -0.387 0.000 1.027 369 V CB -0.505 31.005 31.823 -0.522 0.000 0.646 369 V HN 0.471 nan 8.190 nan 0.000 0.447 370 K N -0.517 119.826 120.400 -0.095 0.000 2.280 370 K HA -0.114 4.198 4.320 -0.013 0.000 0.202 370 K C 2.096 178.675 176.600 -0.034 0.000 1.047 370 K CA 1.625 57.844 56.287 -0.114 0.000 0.942 370 K CB -0.245 32.186 32.500 -0.116 0.000 0.739 370 K HN 0.491 nan 8.250 nan 0.000 0.457 371 T N 0.209 114.797 114.554 0.057 0.000 2.939 371 T HA 0.008 4.351 4.350 -0.013 0.000 0.254 371 T C 0.935 175.744 174.700 0.181 0.000 1.041 371 T CA 0.437 62.605 62.100 0.113 0.000 1.142 371 T CB 0.095 69.062 68.868 0.165 0.000 0.874 371 T HN 0.171 nan 8.240 nan 0.000 0.452 372 C N 2.371 121.759 119.300 0.147 0.000 2.401 372 C HA 0.879 5.332 4.460 -0.013 0.000 0.365 372 C C 0.610 175.641 174.990 0.069 0.000 1.250 372 C CA -1.265 57.813 59.018 0.100 0.000 2.131 372 C CB 0.065 27.804 27.740 -0.002 0.000 2.445 372 C HN 0.595 nan 8.230 nan 0.000 0.550 373 A N 2.021 124.877 122.820 0.059 0.000 2.498 373 A HA 0.793 5.105 4.320 -0.013 0.000 0.298 373 A C -1.631 176.013 177.584 0.100 0.000 1.075 373 A CA -0.383 51.634 52.037 -0.032 0.000 0.714 373 A CB 1.189 20.168 19.000 -0.036 0.000 1.299 373 A HN 0.916 nan 8.150 nan 0.000 0.407 374 Y N 0.782 121.020 120.300 -0.103 0.000 2.391 374 Y HA 0.669 5.212 4.550 -0.012 0.000 0.341 374 Y C -0.628 175.241 175.900 -0.051 0.000 0.965 374 Y CA -0.516 57.535 58.100 -0.081 0.000 1.067 374 Y CB 2.058 40.426 38.460 -0.153 0.000 1.199 374 Y HN 0.557 nan 8.280 nan 0.000 0.450 375 T N 6.946 121.273 114.554 -0.378 0.000 2.770 375 T HA 0.245 4.588 4.350 -0.013 0.000 0.283 375 T C -0.732 173.493 174.700 -0.792 0.000 0.988 375 T CA -0.803 61.012 62.100 -0.475 0.000 0.957 375 T CB 0.370 69.195 68.868 -0.072 0.000 0.930 375 T HN 0.680 nan 8.240 nan 0.000 0.443 376 N N 1.790 120.024 118.700 -0.778 0.000 2.479 376 N HA 0.130 4.863 4.740 -0.013 0.000 0.285 376 N C -0.011 175.357 175.510 -0.237 0.000 1.075 376 N CA -0.329 52.496 53.050 -0.374 0.000 0.967 376 N CB 0.761 39.203 38.487 -0.074 0.000 1.137 376 N HN 0.675 nan 8.380 nan 0.000 0.472 377 H N 1.040 120.135 119.070 0.041 0.000 2.893 377 H HA 0.168 4.716 4.556 -0.013 0.000 0.270 377 H C -0.221 175.039 175.328 -0.112 0.000 1.095 377 H CA -0.047 55.979 56.048 -0.037 0.000 1.186 377 H CB 1.107 30.855 29.762 -0.024 0.000 1.562 377 H HN 0.528 nan 8.280 nan 0.000 0.536 378 T N 0.203 114.792 114.554 0.058 0.000 2.830 378 T HA 0.227 4.569 4.350 -0.013 0.000 0.322 378 T C 0.323 175.052 174.700 0.050 0.000 1.501 378 T CA -0.335 61.754 62.100 -0.019 0.000 1.036 378 T CB 1.339 70.196 68.868 -0.019 0.000 1.379 378 T HN -0.036 nan 8.240 nan 0.000 0.493 379 V N 1.683 121.584 119.914 -0.023 0.000 3.477 379 V HA 0.562 4.674 4.120 -0.013 0.000 0.297 379 V C 0.597 176.655 176.094 -0.059 0.000 1.433 379 V CA -0.049 62.228 62.300 -0.038 0.000 1.052 379 V CB -0.323 31.480 31.823 -0.032 0.000 0.895 379 V HN 0.709 nan 8.190 nan 0.000 0.438 380 L N 3.068 124.247 121.223 -0.073 0.000 2.462 380 L HA 0.231 4.564 4.340 -0.013 0.000 0.272 380 L C -0.625 176.249 176.870 0.006 0.000 1.166 380 L CA -0.981 53.843 54.840 -0.026 0.000 0.880 380 L CB 0.983 43.020 42.059 -0.037 0.000 1.142 380 L HN 0.146 nan 8.230 nan 0.000 0.473 381 P HA -0.196 nan 4.420 nan 0.000 0.218 381 P C 0.932 178.237 177.300 0.009 0.000 1.149 381 P CA 1.152 64.255 63.100 0.005 0.000 0.817 381 P CB 0.071 31.778 31.700 0.012 0.000 0.785 382 E N 0.291 120.526 120.200 0.060 0.000 2.482 382 E HA -0.018 4.324 4.350 -0.013 0.000 0.196 382 E C 1.519 178.105 176.600 -0.022 0.000 1.047 382 E CA 0.841 57.269 56.400 0.046 0.000 0.869 382 E CB -0.645 29.185 29.700 0.217 0.000 0.836 382 E HN 0.180 nan 8.360 nan 0.000 0.520 383 A N 1.141 123.981 122.820 0.033 0.000 2.238 383 A HA 0.251 4.563 4.320 -0.013 0.000 0.210 383 A C 1.233 178.810 177.584 -0.011 0.000 1.179 383 A CA -0.300 51.766 52.037 0.049 0.000 0.827 383 A CB -0.041 19.012 19.000 0.089 0.000 0.856 383 A HN 0.152 nan 8.150 nan 0.000 0.488 384 L N 1.343 122.513 121.223 -0.088 0.000 2.349 384 L HA 0.176 4.508 4.340 -0.013 0.000 0.275 384 L C -0.082 176.470 176.870 -0.530 0.000 1.115 384 L CA -0.271 54.459 54.840 -0.183 0.000 0.820 384 L CB 0.830 42.813 42.059 -0.126 0.000 1.135 384 L HN 0.316 nan 8.230 nan 0.000 0.445 385 E N 4.235 124.031 120.200 -0.673 0.000 2.180 385 E HA 0.213 4.555 4.350 -0.013 0.000 0.283 385 E C -0.624 175.336 176.600 -1.067 0.000 1.061 385 E CA -0.165 55.378 56.400 -1.429 0.000 0.861 385 E CB 0.723 29.936 29.700 -0.810 0.000 1.056 385 E HN 0.395 nan 8.360 nan 0.000 0.407 386 R N 3.854 123.579 120.500 -1.292 0.000 2.487 386 R HA 0.185 4.517 4.340 -0.013 0.000 0.288 386 R C -1.188 174.931 176.300 -0.301 0.000 1.394 386 R CA -0.571 55.216 56.100 -0.521 0.000 1.155 386 R CB 0.810 30.941 30.300 -0.283 0.000 1.156 386 R HN 0.452 nan 8.270 nan 0.000 0.553 387 W N 4.390 125.642 121.300 -0.081 0.000 2.311 387 W HA 0.252 4.904 4.660 -0.013 0.000 0.310 387 W C -1.890 174.619 176.519 -0.017 0.000 1.274 387 W CA -2.058 55.307 57.345 0.032 0.000 1.215 387 W CB 0.714 30.168 29.460 -0.011 0.000 1.227 387 W HN 0.252 nan 8.180 nan 0.000 0.523 388 P HA -0.087 nan 4.420 nan 0.000 0.265 388 P C 0.771 178.053 177.300 -0.030 0.000 1.193 388 P CA 0.183 63.306 63.100 0.039 0.000 0.765 388 P CB 0.760 32.370 31.700 -0.150 0.000 0.823 389 V N 3.200 123.139 119.914 0.043 0.000 2.392 389 V HA -0.287 3.825 4.120 -0.013 0.000 0.249 389 V C 2.162 178.277 176.094 0.034 0.000 1.059 389 V CA 2.567 64.899 62.300 0.053 0.000 1.051 389 V CB -1.736 30.173 31.823 0.144 0.000 0.658 389 V HN 0.768 nan 8.190 nan 0.000 0.455 390 H N -1.015 118.114 119.070 0.098 0.000 2.456 390 H HA -0.092 4.457 4.556 -0.013 0.000 0.296 390 H C 2.029 177.406 175.328 0.083 0.000 1.079 390 H CA 1.662 57.763 56.048 0.088 0.000 1.322 390 H CB -0.543 29.272 29.762 0.088 0.000 1.388 390 H HN 0.353 nan 8.280 nan 0.000 0.538 391 L N -0.059 120.960 121.223 -0.340 0.000 2.027 391 L HA -0.097 4.236 4.340 -0.013 0.000 0.206 391 L C 2.349 179.159 176.870 -0.100 0.000 1.074 391 L CA 1.067 55.818 54.840 -0.147 0.000 0.745 391 L CB -0.248 41.726 42.059 -0.142 0.000 0.898 391 L HN 0.329 nan 8.230 nan 0.000 0.433 392 L N -0.592 120.555 121.223 -0.126 0.000 2.141 392 L HA -0.218 4.114 4.340 -0.013 0.000 0.209 392 L C 2.485 179.288 176.870 -0.111 0.000 1.094 392 L CA 1.041 55.782 54.840 -0.164 0.000 0.763 392 L CB -0.377 41.575 42.059 -0.178 0.000 0.908 392 L HN 0.296 nan 8.230 nan 0.000 0.437 393 E N -0.414 119.765 120.200 -0.036 0.000 2.077 393 E HA -0.210 4.132 4.350 -0.013 0.000 0.193 393 E C 1.904 178.539 176.600 0.058 0.000 0.989 393 E CA 1.879 58.289 56.400 0.017 0.000 0.800 393 E CB 0.145 29.895 29.700 0.083 0.000 0.746 393 E HN 0.428 nan 8.360 nan 0.000 0.452 394 T N 0.724 115.335 114.554 0.095 0.000 2.852 394 T HA -0.074 4.268 4.350 -0.013 0.000 0.256 394 T C 1.721 176.527 174.700 0.177 0.000 1.038 394 T CA 0.689 62.899 62.100 0.183 0.000 1.141 394 T CB -0.122 68.889 68.868 0.237 0.000 0.869 394 T HN 0.067 nan 8.240 nan 0.000 0.439 395 L N 0.060 121.282 121.223 -0.002 0.000 2.095 395 L HA 0.342 4.675 4.340 -0.013 0.000 0.204 395 L C 0.478 177.278 176.870 -0.117 0.000 1.080 395 L CA 1.613 56.329 54.840 -0.206 0.000 0.759 395 L CB -0.001 41.904 42.059 -0.256 0.000 0.914 395 L HN 0.177 nan 8.230 nan 0.000 0.439 396 L N 0.676 121.795 121.223 -0.173 0.000 2.625 396 L HA 0.286 4.618 4.340 -0.013 0.000 0.255 396 L C -1.698 174.989 176.870 -0.305 0.000 1.493 396 L CA -0.952 53.701 54.840 -0.313 0.000 0.796 396 L CB 0.850 42.581 42.059 -0.545 0.000 1.064 396 L HN -0.035 nan 8.230 nan 0.000 0.516 397 P HA -0.188 nan 4.420 nan 0.000 0.216 397 P C 1.455 178.559 177.300 -0.327 0.000 1.150 397 P CA 1.099 64.077 63.100 -0.204 0.000 0.837 397 P CB 0.377 32.035 31.700 -0.071 0.000 0.786 398 R N -0.131 119.991 120.500 -0.630 0.000 2.090 398 R HA -0.125 4.207 4.340 -0.013 0.000 0.228 398 R C 2.289 178.267 176.300 -0.537 0.000 1.110 398 R CA 1.632 57.358 56.100 -0.624 0.000 0.973 398 R CB -1.651 28.102 30.300 -0.911 0.000 0.869 398 R HN 0.244 nan 8.270 nan 0.000 0.440 399 H N -0.480 118.273 119.070 -0.529 0.000 2.387 399 H HA -0.081 4.467 4.556 -0.013 0.000 0.299 399 H C 1.614 176.760 175.328 -0.303 0.000 1.090 399 H CA 1.608 57.429 56.048 -0.378 0.000 1.332 399 H CB -0.226 29.278 29.762 -0.431 0.000 1.386 399 H HN 0.115 nan 8.280 nan 0.000 0.516 400 L N 0.919 122.006 121.223 -0.228 0.000 2.046 400 L HA -0.213 4.119 4.340 -0.013 0.000 0.208 400 L C 1.937 178.574 176.870 -0.388 0.000 1.077 400 L CA 1.670 56.298 54.840 -0.354 0.000 0.747 400 L CB -0.516 41.343 42.059 -0.334 0.000 0.896 400 L HN 0.278 nan 8.230 nan 0.000 0.432 401 Q N -0.674 119.016 119.800 -0.184 0.000 2.096 401 Q HA -0.217 4.116 4.340 -0.013 0.000 0.204 401 Q C 2.311 178.315 176.000 0.006 0.000 0.982 401 Q CA 2.094 57.886 55.803 -0.018 0.000 0.850 401 Q CB -0.265 28.478 28.738 0.008 0.000 0.901 401 Q HN 0.569 nan 8.270 nan 0.000 0.422 402 I N 0.343 120.895 120.570 -0.029 0.000 2.252 402 I HA -0.269 3.894 4.170 -0.013 0.000 0.245 402 I C 2.119 178.307 176.117 0.118 0.000 1.102 402 I CA 1.003 62.368 61.300 0.109 0.000 1.385 402 I CB -0.108 37.915 38.000 0.038 0.000 1.064 402 I HN 0.191 nan 8.210 nan 0.000 0.414 403 I N -0.533 120.028 120.570 -0.016 0.000 2.226 403 I HA -0.320 3.842 4.170 -0.013 0.000 0.245 403 I C 2.370 178.512 176.117 0.041 0.000 1.100 403 I CA 1.383 62.668 61.300 -0.025 0.000 1.374 403 I CB -0.387 37.531 38.000 -0.136 0.000 1.057 403 I HN 0.163 nan 8.210 nan 0.000 0.413 404 Y N 0.870 121.176 120.300 0.010 0.000 2.181 404 Y HA -0.278 4.264 4.550 -0.013 0.000 0.288 404 Y C 2.617 178.486 175.900 -0.053 0.000 1.146 404 Y CA 1.554 59.646 58.100 -0.013 0.000 1.164 404 Y CB -0.855 37.590 38.460 -0.025 0.000 0.982 404 Y HN 0.194 nan 8.280 nan 0.000 0.515 405 E N 0.401 120.644 120.200 0.071 0.000 2.077 405 E HA -0.151 4.191 4.350 -0.013 0.000 0.193 405 E C 2.100 178.617 176.600 -0.138 0.000 0.989 405 E CA 1.330 57.631 56.400 -0.165 0.000 0.800 405 E CB -0.558 28.879 29.700 -0.439 0.000 0.746 405 E HN 0.470 nan 8.360 nan 0.000 0.452 406 I N 0.696 121.291 120.570 0.042 0.000 2.163 406 I HA -0.315 3.848 4.170 -0.013 0.000 0.243 406 I C 2.297 178.420 176.117 0.010 0.000 1.085 406 I CA 1.488 62.773 61.300 -0.025 0.000 1.347 406 I CB -0.447 37.551 38.000 -0.002 0.000 1.044 406 I HN 0.221 nan 8.210 nan 0.000 0.408 407 N N 0.711 119.463 118.700 0.087 0.000 2.084 407 N HA -0.268 4.464 4.740 -0.013 0.000 0.190 407 N C 1.870 177.463 175.510 0.138 0.000 1.030 407 N CA 1.559 54.707 53.050 0.163 0.000 0.849 407 N CB -0.167 38.433 38.487 0.189 0.000 1.012 407 N HN 0.334 nan 8.380 nan 0.000 0.423 408 Q N 0.036 119.863 119.800 0.044 0.000 2.061 408 Q HA -0.140 4.192 4.340 -0.013 0.000 0.204 408 Q C 1.999 177.982 176.000 -0.028 0.000 0.984 408 Q CA 1.447 57.240 55.803 -0.016 0.000 0.846 408 Q CB -0.012 28.677 28.738 -0.082 0.000 0.902 408 Q HN 0.375 nan 8.270 nan 0.000 0.421 409 R N -0.718 119.744 120.500 -0.064 0.000 2.092 409 R HA -0.109 4.223 4.340 -0.013 0.000 0.231 409 R C 2.167 178.492 176.300 0.041 0.000 1.119 409 R CA 1.266 57.327 56.100 -0.066 0.000 0.970 409 R CB -0.349 29.857 30.300 -0.157 0.000 0.864 409 R HN 0.276 nan 8.270 nan 0.000 0.440 410 F N 1.456 121.379 119.950 -0.046 0.000 2.113 410 F HA -0.109 4.410 4.527 -0.013 0.000 0.297 410 F C 1.832 177.654 175.800 0.035 0.000 1.103 410 F CA 1.379 59.400 58.000 0.035 0.000 1.248 410 F CB -0.185 38.867 39.000 0.086 0.000 0.999 410 F HN -0.115 nan 8.300 nan 0.000 0.475 411 L N -0.033 121.202 121.223 0.021 0.000 2.201 411 L HA -0.226 4.106 4.340 -0.013 0.000 0.212 411 L C 1.984 178.792 176.870 -0.103 0.000 1.105 411 L CA 1.463 56.254 54.840 -0.082 0.000 0.775 411 L CB -0.886 41.187 42.059 0.023 0.000 0.913 411 L HN 0.265 nan 8.230 nan 0.000 0.440 412 N N -0.185 118.472 118.700 -0.071 0.000 2.166 412 N HA -0.168 4.564 4.740 -0.013 0.000 0.186 412 N C 1.921 177.381 175.510 -0.083 0.000 1.019 412 N CA 0.801 53.811 53.050 -0.067 0.000 0.856 412 N CB 0.015 38.468 38.487 -0.056 0.000 0.993 412 N HN 0.285 nan 8.380 nan 0.000 0.426 413 R N 0.518 120.950 120.500 -0.113 0.000 2.075 413 R HA -0.042 4.291 4.340 -0.013 0.000 0.232 413 R C 2.185 178.394 176.300 -0.152 0.000 1.126 413 R CA 0.834 56.863 56.100 -0.120 0.000 0.963 413 R CB -0.285 29.949 30.300 -0.110 0.000 0.858 413 R HN 0.083 nan 8.270 nan 0.000 0.435 414 V N 0.998 120.763 119.914 -0.248 0.000 2.295 414 V HA -0.248 3.865 4.120 -0.013 0.000 0.246 414 V C 2.449 178.545 176.094 0.002 0.000 1.049 414 V CA 1.979 64.196 62.300 -0.139 0.000 1.024 414 V CB -0.760 30.901 31.823 -0.271 0.000 0.648 414 V HN 0.403 nan 8.190 nan 0.000 0.447 415 A N 0.043 122.835 122.820 -0.047 0.000 1.940 415 A HA -0.145 4.167 4.320 -0.013 0.000 0.219 415 A C 2.375 179.945 177.584 -0.023 0.000 1.176 415 A CA 2.224 54.249 52.037 -0.019 0.000 0.631 415 A CB -0.712 18.267 19.000 -0.035 0.000 0.814 415 A HN 0.594 nan 8.150 nan 0.000 0.446 416 A N -0.699 122.090 122.820 -0.052 0.000 1.968 416 A HA 0.331 4.643 4.320 -0.013 0.000 0.217 416 A C 2.359 179.871 177.584 -0.120 0.000 1.169 416 A CA 1.626 53.621 52.037 -0.070 0.000 0.638 416 A CB -0.648 18.313 19.000 -0.065 0.000 0.812 416 A HN 0.963 nan 8.150 nan 0.000 0.446 417 A N -1.708 121.014 122.820 -0.163 0.000 1.975 417 A HA 0.370 4.682 4.320 -0.013 0.000 0.215 417 A C 0.504 177.694 177.584 -0.656 0.000 1.170 417 A CA 0.560 52.350 52.037 -0.412 0.000 0.656 417 A CB -0.170 18.553 19.000 -0.462 0.000 0.821 417 A HN 0.416 nan 8.150 nan 0.000 0.449 418 F N -0.022 119.882 119.950 -0.078 0.000 2.564 418 F HA 0.328 4.847 4.527 -0.013 0.000 0.329 418 F C -2.761 173.003 175.800 -0.061 0.000 1.458 418 F CA -2.707 55.251 58.000 -0.069 0.000 1.117 418 F CB 0.840 39.790 39.000 -0.083 0.000 1.383 418 F HN -0.054 nan 8.300 nan 0.000 0.571 419 P HA 0.209 nan 4.420 nan 0.000 0.265 419 P C 1.018 178.338 177.300 0.033 0.000 1.193 419 P CA 0.989 64.101 63.100 0.020 0.000 0.765 419 P CB 0.949 32.642 31.700 -0.013 0.000 0.823 420 G N 2.351 111.163 108.800 0.021 0.000 2.225 420 G HA2 -0.242 3.711 3.960 -0.013 0.000 0.254 420 G HA3 -0.242 3.711 3.960 -0.013 0.000 0.254 420 G C 0.328 175.238 174.900 0.016 0.000 0.988 420 G CA 0.053 45.162 45.100 0.015 0.000 0.625 420 G HN 0.610 nan 8.290 nan 0.000 0.527 421 D N 1.531 121.949 120.400 0.031 0.000 2.551 421 D HA 0.381 5.013 4.640 -0.013 0.000 0.223 421 D C 2.093 178.382 176.300 -0.018 0.000 1.144 421 D CA 0.418 54.422 54.000 0.007 0.000 1.025 421 D CB 0.399 41.206 40.800 0.012 0.000 1.085 421 D HN 0.603 nan 8.370 nan 0.000 0.506 422 V N 0.623 120.529 119.914 -0.014 0.000 2.548 422 V HA -0.117 3.996 4.120 -0.013 0.000 0.249 422 V C 1.773 177.853 176.094 -0.022 0.000 1.055 422 V CA 1.379 63.669 62.300 -0.016 0.000 1.065 422 V CB -0.428 31.390 31.823 -0.009 0.000 0.681 422 V HN 0.202 nan 8.190 nan 0.000 0.462 423 D N 0.365 120.749 120.400 -0.027 0.000 2.183 423 D HA -0.145 4.487 4.640 -0.013 0.000 0.203 423 D C 2.330 178.600 176.300 -0.051 0.000 0.969 423 D CA 1.156 55.140 54.000 -0.028 0.000 0.842 423 D CB -0.175 40.610 40.800 -0.024 0.000 0.957 423 D HN 0.419 nan 8.370 nan 0.000 0.484 424 R N -0.118 120.327 120.500 -0.092 0.000 2.081 424 R HA -0.099 4.233 4.340 -0.013 0.000 0.235 424 R C 2.227 178.451 176.300 -0.126 0.000 1.131 424 R CA 0.919 56.924 56.100 -0.159 0.000 0.960 424 R CB -0.242 29.895 30.300 -0.271 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.436 425 L N 0.638 121.813 121.223 -0.080 0.000 2.012 425 L HA -0.233 4.100 4.340 -0.013 0.000 0.210 425 L C 2.762 179.633 176.870 0.001 0.000 1.073 425 L CA 2.029 56.842 54.840 -0.045 0.000 0.748 425 L CB -0.583 41.460 42.059 -0.027 0.000 0.891 425 L HN 0.325 nan 8.230 nan 0.000 0.431 426 R N 0.202 120.707 120.500 0.010 0.000 2.092 426 R HA -0.125 4.208 4.340 -0.013 0.000 0.231 426 R C 2.265 178.612 176.300 0.079 0.000 1.119 426 R CA 1.069 57.197 56.100 0.045 0.000 0.970 426 R CB -0.493 29.829 30.300 0.036 0.000 0.864 426 R HN 0.223 nan 8.270 nan 0.000 0.440 427 R N 0.227 120.757 120.500 0.051 0.000 2.096 427 R HA 0.043 4.375 4.340 -0.013 0.000 0.235 427 R C 2.111 178.499 176.300 0.148 0.000 1.127 427 R CA 1.827 57.984 56.100 0.094 0.000 0.968 427 R CB -0.187 30.129 30.300 0.028 0.000 0.861 427 R HN 0.348 nan 8.270 nan 0.000 0.440 428 M N 0.045 119.656 119.600 0.018 0.000 2.509 428 M HA 0.046 4.518 4.480 -0.013 0.000 0.250 428 M C 0.817 177.264 176.300 0.245 0.000 1.132 428 M CA -0.021 55.235 55.300 -0.072 0.000 1.080 428 M CB 0.519 32.919 32.600 -0.333 0.000 1.408 428 M HN -0.080 nan 8.290 nan 0.000 0.484 429 S N 1.069 116.927 115.700 0.264 0.000 2.558 429 S HA 0.084 4.546 4.470 -0.013 0.000 0.288 429 S C 1.156 176.004 174.600 0.413 0.000 1.318 429 S CA -0.307 58.073 58.200 0.300 0.000 1.056 429 S CB 0.592 63.912 63.200 0.200 0.000 0.853 429 S HN 0.369 nan 8.310 nan 0.000 0.505 430 L N 4.033 125.455 121.223 0.332 0.000 2.291 430 L HA 0.090 4.422 4.340 -0.013 0.000 0.214 430 L C 0.352 177.335 176.870 0.187 0.000 1.120 430 L CA 0.357 55.354 54.840 0.261 0.000 0.799 430 L CB -0.480 41.678 42.059 0.166 0.000 0.925 430 L HN 0.407 nan 8.230 nan 0.000 0.446 431 V N 0.883 120.917 119.914 0.200 0.000 2.383 431 V HA 0.165 4.277 4.120 -0.013 0.000 0.275 431 V C 0.130 176.312 176.094 0.146 0.000 1.036 431 V CA -0.563 61.843 62.300 0.177 0.000 0.889 431 V CB 1.391 33.346 31.823 0.220 0.000 0.985 431 V HN 0.173 nan 8.190 nan 0.000 0.459 432 E N 3.605 123.873 120.200 0.113 0.000 2.197 432 E HA 0.341 4.683 4.350 -0.013 0.000 0.281 432 E C -0.533 176.118 176.600 0.085 0.000 0.995 432 E CA -0.653 55.801 56.400 0.091 0.000 0.808 432 E CB 1.499 31.233 29.700 0.057 0.000 1.093 432 E HN 0.568 nan 8.360 nan 0.000 0.394 433 E N 1.061 121.306 120.200 0.076 0.000 2.349 433 E HA 0.553 4.895 4.350 -0.013 0.000 0.262 433 E C 0.322 176.956 176.600 0.058 0.000 1.088 433 E CA -0.183 56.256 56.400 0.065 0.000 0.899 433 E CB 1.657 31.389 29.700 0.053 0.000 1.044 433 E HN 0.765 nan 8.360 nan 0.000 0.420 434 G N -0.465 108.368 108.800 0.055 0.000 2.350 434 G HA2 0.224 4.176 3.960 -0.013 0.000 0.276 434 G HA3 0.224 4.176 3.960 -0.013 0.000 0.276 434 G C 0.395 175.326 174.900 0.052 0.000 1.313 434 G CA 0.167 45.297 45.100 0.049 0.000 0.903 434 G HN 0.451 nan 8.290 nan 0.000 0.490 435 A N -0.885 121.964 122.820 0.049 0.000 1.859 435 A HA 0.285 4.597 4.320 -0.013 0.000 0.218 435 A C 1.705 179.328 177.584 0.065 0.000 1.209 435 A CA 3.571 55.637 52.037 0.049 0.000 0.639 435 A CB -1.279 17.747 19.000 0.044 0.000 0.835 435 A HN 2.282 nan 8.150 nan 0.000 0.450 436 V N -2.554 117.410 119.914 0.083 0.000 2.398 436 V HA 0.553 4.666 4.120 -0.013 0.000 0.286 436 V C -0.196 175.969 176.094 0.117 0.000 1.026 436 V CA -1.168 61.204 62.300 0.120 0.000 0.868 436 V CB 1.179 33.100 31.823 0.164 0.000 0.982 436 V HN 0.361 nan 8.190 nan 0.000 0.443 437 K N 4.114 124.593 120.400 0.131 0.000 2.412 437 K HA 0.412 4.725 4.320 -0.013 0.000 0.281 437 K C -0.112 176.563 176.600 0.126 0.000 1.027 437 K CA -0.040 56.322 56.287 0.125 0.000 0.989 437 K CB 0.533 33.118 32.500 0.142 0.000 0.935 437 K HN 0.806 nan 8.250 nan 0.000 0.475 438 R N 2.835 123.397 120.500 0.103 0.000 2.854 438 R HA 0.463 4.795 4.340 -0.013 0.000 0.271 438 R C -0.726 175.619 176.300 0.075 0.000 0.994 438 R CA -1.032 55.118 56.100 0.085 0.000 0.945 438 R CB 1.295 31.625 30.300 0.049 0.000 1.194 438 R HN 0.400 nan 8.270 nan 0.000 0.476 439 I N 2.004 122.616 120.570 0.070 0.000 2.321 439 I HA 0.147 4.309 4.170 -0.013 0.000 0.291 439 I C -0.097 176.012 176.117 -0.014 0.000 0.998 439 I CA -0.710 60.619 61.300 0.048 0.000 1.227 439 I CB 1.051 39.079 38.000 0.047 0.000 1.368 439 I HN 0.502 nan 8.210 nan 0.000 0.466 440 N N 7.116 125.779 118.700 -0.062 0.000 2.402 440 N HA 0.100 4.832 4.740 -0.013 0.000 0.252 440 N C 0.780 176.196 175.510 -0.157 0.000 1.118 440 N CA -0.300 52.633 53.050 -0.195 0.000 0.945 440 N CB 0.986 39.222 38.487 -0.419 0.000 1.147 440 N HN 0.382 nan 8.380 nan 0.000 0.495 441 M N 2.415 121.921 119.600 -0.157 0.000 2.319 441 M HA -0.031 4.441 4.480 -0.013 0.000 0.265 441 M C 1.896 178.058 176.300 -0.229 0.000 1.068 441 M CA 0.637 55.862 55.300 -0.124 0.000 1.118 441 M CB -1.473 31.099 32.600 -0.048 0.000 1.395 441 M HN 0.603 nan 8.290 nan 0.000 0.435 442 A N -0.448 122.232 122.820 -0.234 0.000 1.930 442 A HA -0.165 4.148 4.320 -0.013 0.000 0.217 442 A C 1.971 179.325 177.584 -0.383 0.000 1.175 442 A CA 1.395 53.247 52.037 -0.308 0.000 0.627 442 A CB -1.101 17.924 19.000 0.042 0.000 0.815 442 A HN 0.586 nan 8.150 nan 0.000 0.443 443 H N -1.472 117.388 119.070 -0.351 0.000 2.357 443 H HA -0.102 4.446 4.556 -0.013 0.000 0.301 443 H C 2.101 177.210 175.328 -0.365 0.000 1.082 443 H CA 1.109 56.920 56.048 -0.394 0.000 1.342 443 H CB -0.020 29.725 29.762 -0.027 0.000 1.389 443 H HN 0.440 nan 8.280 nan 0.000 0.511 444 L N 0.689 121.832 121.223 -0.133 0.000 2.017 444 L HA -0.174 4.158 4.340 -0.013 0.000 0.208 444 L C 2.276 179.005 176.870 -0.236 0.000 1.073 444 L CA 1.460 56.215 54.840 -0.142 0.000 0.745 444 L CB -0.778 41.231 42.059 -0.083 0.000 0.894 444 L HN 0.288 nan 8.230 nan 0.000 0.432 445 C N -0.364 118.691 119.300 -0.408 0.000 2.429 445 C HA -0.134 4.319 4.460 -0.013 0.000 0.277 445 C C 2.704 177.416 174.990 -0.464 0.000 1.262 445 C CA 1.030 59.715 59.018 -0.555 0.000 1.733 445 C CB -0.966 26.046 27.740 -1.213 0.000 2.010 445 C HN 0.622 nan 8.230 nan 0.000 0.483 446 I N 1.365 121.616 120.570 -0.532 0.000 2.202 446 I HA -0.187 3.976 4.170 -0.013 0.000 0.242 446 I C 2.754 178.716 176.117 -0.258 0.000 1.091 446 I CA 1.627 62.665 61.300 -0.437 0.000 1.368 446 I CB -0.572 37.019 38.000 -0.682 0.000 1.058 446 I HN 0.259 nan 8.210 nan 0.000 0.410 447 A N 0.599 123.239 122.820 -0.300 0.000 1.902 447 A HA -0.120 4.192 4.320 -0.013 0.000 0.217 447 A C 2.242 179.867 177.584 0.068 0.000 1.181 447 A CA 1.950 53.858 52.037 -0.216 0.000 0.623 447 A CB -1.235 17.450 19.000 -0.524 0.000 0.818 447 A HN 0.483 nan 8.150 nan 0.000 0.443 448 G N -1.326 107.451 108.800 -0.039 0.000 3.189 448 G HA2 0.402 4.355 3.960 -0.013 0.000 0.225 448 G HA3 0.402 4.355 3.960 -0.013 0.000 0.225 448 G C 0.157 174.890 174.900 -0.279 0.000 1.159 448 G CA 0.509 45.475 45.100 -0.223 0.000 0.763 448 G HN 0.350 nan 8.290 nan 0.000 0.549 449 S N -0.319 115.270 115.700 -0.184 0.000 2.536 449 S HA 0.315 4.777 4.470 -0.013 0.000 0.298 449 S C 0.801 175.342 174.600 -0.098 0.000 1.083 449 S CA -0.699 57.417 58.200 -0.140 0.000 0.995 449 S CB 1.260 64.379 63.200 -0.135 0.000 1.058 449 S HN 0.508 nan 8.310 nan 0.000 0.488 450 H N 0.164 119.193 119.070 -0.068 0.000 2.548 450 H HA 0.454 5.002 4.556 -0.013 0.000 0.268 450 H C 0.154 175.467 175.328 -0.025 0.000 0.975 450 H CA 0.345 56.381 56.048 -0.020 0.000 1.195 450 H CB 0.151 29.918 29.762 0.009 0.000 1.397 450 H HN 0.493 nan 8.280 nan 0.000 0.572 451 A N 1.000 123.516 122.820 -0.506 0.000 2.488 451 A HA 0.557 4.870 4.320 -0.013 0.000 0.298 451 A C -1.395 175.989 177.584 -0.333 0.000 1.044 451 A CA -0.584 51.217 52.037 -0.393 0.000 0.693 451 A CB 2.254 20.997 19.000 -0.428 0.000 1.272 451 A HN 0.098 nan 8.150 nan 0.000 0.402 452 V N 4.177 123.860 119.914 -0.385 0.000 2.483 452 V HA 0.525 4.638 4.120 -0.013 0.000 0.297 452 V C -0.769 175.128 176.094 -0.328 0.000 1.027 452 V CA -0.787 61.271 62.300 -0.404 0.000 0.855 452 V CB 1.767 33.183 31.823 -0.679 0.000 0.995 452 V HN 1.008 nan 8.190 nan 0.000 0.424 453 N N 3.199 121.726 118.700 -0.288 0.000 2.240 453 N HA 0.615 5.347 4.740 -0.013 0.000 0.302 453 N C -0.226 175.173 175.510 -0.184 0.000 1.106 453 N CA -0.361 52.566 53.050 -0.206 0.000 0.778 453 N CB 2.885 41.236 38.487 -0.228 0.000 1.431 453 N HN 0.628 nan 8.380 nan 0.000 0.479 454 G N -0.739 107.991 108.800 -0.116 0.000 2.535 454 G HA2 0.430 4.382 3.960 -0.013 0.000 0.303 454 G HA3 0.430 4.382 3.960 -0.013 0.000 0.303 454 G C 0.711 175.674 174.900 0.105 0.000 1.237 454 G CA -0.424 44.666 45.100 -0.017 0.000 0.986 454 G HN 0.653 nan 8.290 nan 0.000 0.494 455 V N -4.008 116.092 119.914 0.311 0.000 3.380 455 V HA 0.707 4.819 4.120 -0.013 0.000 0.307 455 V C 0.521 176.698 176.094 0.139 0.000 1.434 455 V CA 0.418 62.807 62.300 0.148 0.000 1.075 455 V CB -0.639 31.224 31.823 0.065 0.000 0.954 455 V HN 1.329 nan 8.190 nan 0.000 0.444 456 A N 0.004 122.918 122.820 0.156 0.000 2.608 456 A HA 0.660 4.972 4.320 -0.013 0.000 0.292 456 A C 0.697 178.332 177.584 0.085 0.000 1.066 456 A CA -0.107 51.998 52.037 0.113 0.000 0.676 456 A CB 1.273 20.330 19.000 0.095 0.000 1.277 456 A HN 0.020 nan 8.150 nan 0.000 0.413 457 R N 0.618 121.147 120.500 0.048 0.000 2.096 457 R HA -0.150 4.183 4.340 -0.013 0.000 0.240 457 R C 1.642 177.941 176.300 -0.001 0.000 1.139 457 R CA 2.276 58.382 56.100 0.010 0.000 0.952 457 R CB -0.244 30.056 30.300 0.001 0.000 0.854 457 R HN 0.812 nan 8.270 nan 0.000 0.436 458 I N 0.278 120.856 120.570 0.014 0.000 2.286 458 I HA -0.289 3.873 4.170 -0.013 0.000 0.248 458 I C 2.339 178.467 176.117 0.018 0.000 1.115 458 I CA 1.766 63.067 61.300 0.002 0.000 1.392 458 I CB -0.213 37.787 38.000 -0.000 0.000 1.065 458 I HN 0.343 nan 8.210 nan 0.000 0.418 459 H N 0.246 119.290 119.070 -0.043 0.000 2.326 459 H HA -0.120 4.428 4.556 -0.013 0.000 0.301 459 H C 2.271 177.569 175.328 -0.049 0.000 1.081 459 H CA 2.206 58.225 56.048 -0.049 0.000 1.334 459 H CB -0.267 29.471 29.762 -0.040 0.000 1.385 459 H HN 0.235 nan 8.280 nan 0.000 0.504 460 S N 0.400 115.983 115.700 -0.196 0.000 2.382 460 S HA -0.123 4.339 4.470 -0.013 0.000 0.228 460 S C 1.893 176.377 174.600 -0.193 0.000 1.027 460 S CA 1.192 59.258 58.200 -0.224 0.000 0.991 460 S CB -0.071 63.065 63.200 -0.106 0.000 0.823 460 S HN 0.484 nan 8.310 nan 0.000 0.469 461 E N 1.210 121.319 120.200 -0.152 0.000 2.072 461 E HA -0.014 4.328 4.350 -0.013 0.000 0.191 461 E C 2.017 178.511 176.600 -0.177 0.000 0.985 461 E CA 0.671 56.972 56.400 -0.163 0.000 0.801 461 E CB -0.385 29.249 29.700 -0.110 0.000 0.750 461 E HN 0.514 nan 8.360 nan 0.000 0.452 462 I N 0.960 121.440 120.570 -0.151 0.000 2.286 462 I HA -0.270 3.892 4.170 -0.013 0.000 0.248 462 I C 2.399 178.402 176.117 -0.189 0.000 1.115 462 I CA 0.772 61.988 61.300 -0.140 0.000 1.392 462 I CB -0.242 37.706 38.000 -0.086 0.000 1.065 462 I HN 0.055 nan 8.210 nan 0.000 0.418 463 L N 0.379 121.458 121.223 -0.241 0.000 2.046 463 L HA -0.233 4.099 4.340 -0.013 0.000 0.208 463 L C 2.494 179.269 176.870 -0.158 0.000 1.077 463 L CA 1.577 56.300 54.840 -0.196 0.000 0.747 463 L CB -0.564 41.451 42.059 -0.073 0.000 0.896 463 L HN 0.202 nan 8.230 nan 0.000 0.432 464 K N -0.102 120.123 120.400 -0.291 0.000 2.155 464 K HA -0.096 4.217 4.320 -0.013 0.000 0.203 464 K C 1.975 178.381 176.600 -0.322 0.000 1.052 464 K CA 0.894 56.862 56.287 -0.531 0.000 0.948 464 K CB 0.094 32.037 32.500 -0.929 0.000 0.728 464 K HN 0.283 nan 8.250 nan 0.000 0.448 465 K N -0.074 120.196 120.400 -0.217 0.000 2.323 465 K HA -0.005 4.308 4.320 -0.013 0.000 0.197 465 K C 1.738 178.290 176.600 -0.081 0.000 1.043 465 K CA 1.205 57.418 56.287 -0.124 0.000 0.997 465 K CB 0.624 33.060 32.500 -0.107 0.000 0.807 465 K HN 0.251 nan 8.250 nan 0.000 0.497 466 T N -0.970 113.526 114.554 -0.097 0.000 3.257 466 T HA 0.051 4.393 4.350 -0.013 0.000 0.176 466 T C 1.835 176.489 174.700 -0.076 0.000 0.892 466 T CA -0.152 61.901 62.100 -0.078 0.000 1.147 466 T CB -0.515 68.302 68.868 -0.085 0.000 1.840 466 T HN -0.057 nan 8.240 nan 0.000 0.375 467 I N -0.152 120.307 120.570 -0.184 0.000 2.335 467 I HA 0.090 4.253 4.170 -0.013 0.000 0.251 467 I C 1.112 177.170 176.117 -0.098 0.000 1.129 467 I CA 1.735 62.881 61.300 -0.257 0.000 1.402 467 I CB -1.618 36.048 38.000 -0.556 0.000 1.069 467 I HN 0.202 nan 8.210 nan 0.000 0.424 468 F N 1.370 121.404 119.950 0.139 0.000 2.708 468 F HA 0.379 4.898 4.527 -0.013 0.000 0.300 468 F C 1.986 177.896 175.800 0.184 0.000 1.118 468 F CA -1.052 57.106 58.000 0.262 0.000 1.307 468 F CB -0.620 38.544 39.000 0.273 0.000 0.986 468 F HN 0.028 nan 8.300 nan 0.000 0.522 469 K N 0.898 121.419 120.400 0.202 0.000 2.059 469 K HA -0.223 4.089 4.320 -0.013 0.000 0.212 469 K C 1.337 177.999 176.600 0.104 0.000 1.050 469 K CA 2.256 58.603 56.287 0.101 0.000 0.927 469 K CB -0.024 32.498 32.500 0.037 0.000 0.714 469 K HN 0.091 nan 8.250 nan 0.000 0.447 470 D N -0.196 120.243 120.400 0.065 0.000 2.123 470 D HA -0.167 4.465 4.640 -0.013 0.000 0.196 470 D C 1.803 178.012 176.300 -0.152 0.000 0.992 470 D CA 1.268 55.172 54.000 -0.160 0.000 0.833 470 D CB -0.273 40.335 40.800 -0.320 0.000 0.954 470 D HN 0.257 nan 8.370 nan 0.000 0.455 471 F N -0.308 119.716 119.950 0.123 0.000 2.206 471 F HA -0.104 4.415 4.527 -0.013 0.000 0.298 471 F C 2.300 178.237 175.800 0.229 0.000 1.090 471 F CA 0.341 58.490 58.000 0.247 0.000 1.323 471 F CB -0.710 38.514 39.000 0.373 0.000 1.028 471 F HN -0.043 nan 8.300 nan 0.000 0.492 472 Y N 1.382 121.654 120.300 -0.046 0.000 2.224 472 Y HA -0.198 4.344 4.550 -0.013 0.000 0.289 472 Y C 2.126 178.000 175.900 -0.043 0.000 1.146 472 Y CA 1.625 59.496 58.100 -0.381 0.000 1.182 472 Y CB -0.611 37.450 38.460 -0.665 0.000 0.983 472 Y HN 0.133 nan 8.280 nan 0.000 0.524 473 E N -0.402 119.736 120.200 -0.102 0.000 2.106 473 E HA -0.199 4.144 4.350 -0.013 0.000 0.192 473 E C 2.017 178.673 176.600 0.093 0.000 0.984 473 E CA 1.215 57.576 56.400 -0.065 0.000 0.806 473 E CB -0.278 29.433 29.700 0.018 0.000 0.750 473 E HN 0.433 nan 8.360 nan 0.000 0.458 474 L N 0.897 122.214 121.223 0.156 0.000 2.072 474 L HA -0.069 4.264 4.340 -0.013 0.000 0.205 474 L C 0.182 177.149 176.870 0.161 0.000 1.079 474 L CA 1.653 56.628 54.840 0.225 0.000 0.752 474 L CB 0.357 42.537 42.059 0.202 0.000 0.906 474 L HN -0.083 nan 8.230 nan 0.000 0.436 475 E N -0.388 119.904 120.200 0.152 0.000 3.132 475 E HA 0.179 4.521 4.350 -0.013 0.000 0.241 475 E C -2.027 174.553 176.600 -0.033 0.000 1.196 475 E CA -1.219 55.210 56.400 0.048 0.000 0.869 475 E CB 0.808 30.519 29.700 0.019 0.000 1.387 475 E HN 0.176 nan 8.360 nan 0.000 0.393 476 P HA -0.232 nan 4.420 nan 0.000 0.220 476 P C 1.176 178.597 177.300 0.201 0.000 1.148 476 P CA 1.299 64.336 63.100 -0.106 0.000 0.803 476 P CB -0.042 31.456 31.700 -0.335 0.000 0.782 477 H N 0.178 119.360 119.070 0.186 0.000 2.491 477 H HA 0.069 4.617 4.556 -0.013 0.000 0.290 477 H C 1.414 176.845 175.328 0.172 0.000 1.050 477 H CA 0.790 56.936 56.048 0.164 0.000 1.309 477 H CB -0.685 29.143 29.762 0.109 0.000 1.392 477 H HN 0.156 nan 8.280 nan 0.000 0.554 478 K N 0.203 120.492 120.400 -0.185 0.000 2.217 478 K HA 0.032 4.344 4.320 -0.013 0.000 0.202 478 K C -0.223 176.256 176.600 -0.202 0.000 1.051 478 K CA 0.257 56.427 56.287 -0.195 0.000 0.952 478 K CB 0.102 32.381 32.500 -0.369 0.000 0.736 478 K HN 0.090 nan 8.250 nan 0.000 0.453 479 F N 1.693 121.669 119.950 0.043 0.000 2.420 479 F HA 0.214 4.733 4.527 -0.013 0.000 0.352 479 F C 0.421 176.222 175.800 0.002 0.000 1.108 479 F CA -0.198 57.828 58.000 0.044 0.000 1.162 479 F CB 0.997 40.074 39.000 0.128 0.000 1.118 479 F HN -0.130 nan 8.300 nan 0.000 0.510 480 Q N 1.704 121.535 119.800 0.052 0.000 2.544 480 Q HA 0.349 4.682 4.340 -0.013 0.000 0.291 480 Q C -1.166 174.793 176.000 -0.068 0.000 1.068 480 Q CA -1.222 54.563 55.803 -0.030 0.000 0.785 480 Q CB 3.295 31.962 28.738 -0.118 0.000 1.481 480 Q HN 0.629 nan 8.270 nan 0.000 0.430 481 N N 0.816 119.459 118.700 -0.095 0.000 2.314 481 N HA 0.277 5.009 4.740 -0.013 0.000 0.304 481 N C -1.419 173.990 175.510 -0.168 0.000 1.073 481 N CA -0.398 52.590 53.050 -0.102 0.000 0.822 481 N CB 0.986 39.435 38.487 -0.063 0.000 1.280 481 N HN 0.270 nan 8.380 nan 0.000 0.489 482 K N 2.747 123.047 120.400 -0.167 0.000 2.675 482 K HA 0.189 4.501 4.320 -0.013 0.000 0.224 482 K C -0.925 175.674 176.600 -0.001 0.000 1.003 482 K CA -0.488 55.672 56.287 -0.212 0.000 1.034 482 K CB 1.233 33.373 32.500 -0.601 0.000 1.218 482 K HN 0.542 nan 8.250 nan 0.000 0.507 483 T N 2.007 116.580 114.554 0.031 0.000 2.928 483 T HA 0.057 4.399 4.350 -0.013 0.000 0.305 483 T C 0.782 175.605 174.700 0.206 0.000 1.035 483 T CA 0.322 62.493 62.100 0.120 0.000 1.145 483 T CB 0.333 69.273 68.868 0.119 0.000 0.963 483 T HN 0.355 nan 8.240 nan 0.000 0.545 484 N N 0.508 119.355 118.700 0.246 0.000 2.340 484 N HA 0.415 5.147 4.740 -0.013 0.000 0.236 484 N C 0.459 176.160 175.510 0.319 0.000 1.296 484 N CA -0.194 53.038 53.050 0.304 0.000 0.896 484 N CB 0.413 39.021 38.487 0.201 0.000 1.127 484 N HN 0.758 nan 8.380 nan 0.000 0.442 485 G N -0.564 108.438 108.800 0.337 0.000 2.687 485 G HA2 0.617 4.570 3.960 -0.013 0.000 0.291 485 G HA3 0.617 4.570 3.960 -0.013 0.000 0.291 485 G C -1.348 173.693 174.900 0.235 0.000 1.420 485 G CA -0.723 44.554 45.100 0.296 0.000 0.796 485 G HN 0.598 nan 8.290 nan 0.000 0.485 486 I N -2.388 118.301 120.570 0.199 0.000 2.934 486 I HA 0.755 4.918 4.170 -0.013 0.000 0.306 486 I C -0.276 175.995 176.117 0.257 0.000 1.110 486 I CA -0.933 60.477 61.300 0.183 0.000 1.019 486 I CB 2.438 40.443 38.000 0.007 0.000 1.227 486 I HN 0.502 nan 8.210 nan 0.000 0.434 487 T N 3.879 118.640 114.554 0.345 0.000 2.794 487 T HA 0.387 4.730 4.350 -0.013 0.000 0.296 487 T C -1.568 173.251 174.700 0.198 0.000 0.949 487 T CA -1.622 60.608 62.100 0.215 0.000 1.101 487 T CB 0.797 69.740 68.868 0.126 0.000 0.905 487 T HN 0.640 nan 8.240 nan 0.000 0.516 488 P HA 0.136 nan 4.420 nan 0.000 0.245 488 P C 0.970 178.238 177.300 -0.054 0.000 1.212 488 P CA 0.079 63.218 63.100 0.067 0.000 0.774 488 P CB 0.364 32.095 31.700 0.051 0.000 0.999 489 R N 0.569 120.994 120.500 -0.124 0.000 2.060 489 R HA 0.027 4.359 4.340 -0.013 0.000 0.225 489 R C 2.648 178.826 176.300 -0.202 0.000 1.155 489 R CA 1.513 57.498 56.100 -0.192 0.000 0.930 489 R CB -1.199 28.992 30.300 -0.182 0.000 0.829 489 R HN 0.019 nan 8.270 nan 0.000 0.433 490 R N -0.738 119.583 120.500 -0.299 0.000 2.081 490 R HA -0.139 4.194 4.340 -0.013 0.000 0.235 490 R C 1.083 177.023 176.300 -0.600 0.000 1.131 490 R CA 1.797 57.553 56.100 -0.574 0.000 0.960 490 R CB -0.186 29.557 30.300 -0.929 0.000 0.856 490 R HN 0.309 nan 8.270 nan 0.000 0.436 491 W N -0.501 120.753 121.300 -0.077 0.000 3.353 491 W HA 0.170 4.821 4.660 -0.014 0.000 0.304 491 W C 0.965 177.450 176.519 -0.057 0.000 1.273 491 W CA -0.698 56.600 57.345 -0.079 0.000 1.773 491 W CB 0.440 29.857 29.460 -0.072 0.000 1.095 491 W HN 0.225 nan 8.180 nan 0.000 0.676 492 L N -2.264 119.008 121.223 0.083 0.000 2.511 492 L HA 0.187 4.520 4.340 -0.013 0.000 0.173 492 L C 1.751 178.631 176.870 0.016 0.000 1.160 492 L CA 0.769 55.652 54.840 0.073 0.000 0.964 492 L CB -0.809 41.321 42.059 0.118 0.000 1.892 492 L HN -0.250 nan 8.230 nan 0.000 0.497 493 V N 1.050 120.949 119.914 -0.024 0.000 2.295 493 V HA -0.261 3.851 4.120 -0.013 0.000 0.246 493 V C 2.432 178.492 176.094 -0.056 0.000 1.049 493 V CA 2.426 64.702 62.300 -0.039 0.000 1.024 493 V CB -0.661 31.110 31.823 -0.085 0.000 0.648 493 V HN 0.503 nan 8.190 nan 0.000 0.447 494 L N 0.530 121.689 121.223 -0.106 0.000 2.005 494 L HA -0.194 4.139 4.340 -0.013 0.000 0.207 494 L C 2.513 179.311 176.870 -0.120 0.000 1.072 494 L CA 2.455 57.215 54.840 -0.134 0.000 0.744 494 L CB -0.286 41.641 42.059 -0.219 0.000 0.895 494 L HN 0.653 nan 8.230 nan 0.000 0.433 495 C N -1.751 117.472 119.300 -0.129 0.000 2.563 495 C HA 0.192 4.644 4.460 -0.013 0.000 0.268 495 C C 1.198 176.165 174.990 -0.038 0.000 1.365 495 C CA -0.241 58.719 59.018 -0.097 0.000 1.754 495 C CB -1.031 26.650 27.740 -0.098 0.000 1.932 495 C HN 0.605 nan 8.230 nan 0.000 0.536 496 N N 1.136 119.825 118.700 -0.018 0.000 2.703 496 N HA 0.286 5.018 4.740 -0.013 0.000 0.283 496 N C -1.747 173.770 175.510 0.012 0.000 1.851 496 N CA -1.604 51.448 53.050 0.004 0.000 0.826 496 N CB 0.761 39.261 38.487 0.021 0.000 1.239 496 N HN 0.250 nan 8.380 nan 0.000 0.495 497 P HA -0.027 nan 4.420 nan 0.000 0.218 497 P C 1.416 178.729 177.300 0.021 0.000 1.149 497 P CA 0.869 63.976 63.100 0.011 0.000 0.817 497 P CB 0.238 31.937 31.700 -0.002 0.000 0.785 498 G N 0.774 109.582 108.800 0.012 0.000 2.446 498 G HA2 -0.260 3.693 3.960 -0.013 0.000 0.217 498 G HA3 -0.260 3.693 3.960 -0.013 0.000 0.217 498 G C 1.536 176.444 174.900 0.012 0.000 1.168 498 G CA 0.746 45.851 45.100 0.009 0.000 0.771 498 G HN 0.245 nan 8.290 nan 0.000 0.551 499 L N 1.289 122.521 121.223 0.015 0.000 2.056 499 L HA 0.221 4.554 4.340 -0.013 0.000 0.207 499 L C 3.099 180.002 176.870 0.055 0.000 1.078 499 L CA 2.028 56.878 54.840 0.017 0.000 0.749 499 L CB -0.750 41.318 42.059 0.016 0.000 0.901 499 L HN 0.240 nan 8.230 nan 0.000 0.433 500 A N -0.820 122.052 122.820 0.088 0.000 1.940 500 A HA -0.265 4.047 4.320 -0.013 0.000 0.219 500 A C 2.255 179.940 177.584 0.168 0.000 1.176 500 A CA 1.880 54.022 52.037 0.176 0.000 0.631 500 A CB -0.660 18.427 19.000 0.146 0.000 0.814 500 A HN 0.540 nan 8.150 nan 0.000 0.446 501 E N 0.547 120.804 120.200 0.095 0.000 2.046 501 E HA -0.141 4.202 4.350 -0.013 0.000 0.190 501 E C 1.836 178.476 176.600 0.068 0.000 0.982 501 E CA 1.488 57.934 56.400 0.075 0.000 0.800 501 E CB -0.505 29.220 29.700 0.042 0.000 0.756 501 E HN 0.742 nan 8.360 nan 0.000 0.449 502 I N -1.659 118.946 120.570 0.058 0.000 2.394 502 I HA -0.139 4.023 4.170 -0.013 0.000 0.251 502 I C 2.123 178.313 176.117 0.122 0.000 1.136 502 I CA 1.120 62.468 61.300 0.079 0.000 1.425 502 I CB -0.359 37.670 38.000 0.048 0.000 1.079 502 I HN 0.014 nan 8.210 nan 0.000 0.425 503 I N 1.996 122.616 120.570 0.083 0.000 2.202 503 I HA -0.206 3.957 4.170 -0.013 0.000 0.242 503 I C 3.023 179.097 176.117 -0.071 0.000 1.091 503 I CA 1.365 62.635 61.300 -0.049 0.000 1.368 503 I CB -0.564 37.285 38.000 -0.252 0.000 1.058 503 I HN 0.310 nan 8.210 nan 0.000 0.410 504 A N 0.500 123.376 122.820 0.093 0.000 1.933 504 A HA -0.233 4.080 4.320 -0.013 0.000 0.218 504 A C 2.172 179.789 177.584 0.055 0.000 1.175 504 A CA 1.696 53.834 52.037 0.170 0.000 0.628 504 A CB -0.607 18.514 19.000 0.201 0.000 0.814 504 A HN 0.459 nan 8.150 nan 0.000 0.444 505 E N -0.721 119.492 120.200 0.020 0.000 2.118 505 E HA -0.197 4.145 4.350 -0.013 0.000 0.195 505 E C 2.256 178.818 176.600 -0.062 0.000 0.992 505 E CA 1.108 57.504 56.400 -0.007 0.000 0.804 505 E CB -0.061 29.641 29.700 0.003 0.000 0.741 505 E HN 0.422 nan 8.360 nan 0.000 0.458 506 R N 0.259 120.661 120.500 -0.164 0.000 2.075 506 R HA 0.045 4.378 4.340 -0.013 0.000 0.220 506 R C 2.346 178.553 176.300 -0.156 0.000 1.118 506 R CA 0.962 56.881 56.100 -0.302 0.000 0.986 506 R CB -0.455 29.317 30.300 -0.878 0.000 0.884 506 R HN 0.351 nan 8.270 nan 0.000 0.439 507 I N -3.164 117.333 120.570 -0.122 0.000 4.081 507 I HA 0.440 4.603 4.170 -0.013 0.000 0.333 507 I C 0.474 176.626 176.117 0.059 0.000 1.413 507 I CA 0.138 61.421 61.300 -0.029 0.000 1.110 507 I CB 0.716 38.678 38.000 -0.063 0.000 1.082 507 I HN 0.181 nan 8.210 nan 0.000 0.402 508 G N 2.042 110.889 108.800 0.077 0.000 2.681 508 G HA2 -0.230 3.722 3.960 -0.013 0.000 0.220 508 G HA3 -0.230 3.722 3.960 -0.013 0.000 0.220 508 G C 0.009 175.031 174.900 0.203 0.000 1.353 508 G CA 0.258 45.424 45.100 0.109 0.000 0.872 508 G HN 0.436 nan 8.290 nan 0.000 0.557 509 E N -0.212 120.059 120.200 0.118 0.000 2.489 509 E HA 0.109 4.451 4.350 -0.013 0.000 0.204 509 E C 1.998 178.544 176.600 -0.090 0.000 1.006 509 E CA 0.278 56.688 56.400 0.016 0.000 0.936 509 E CB 0.312 30.016 29.700 0.007 0.000 1.002 509 E HN 0.629 nan 8.360 nan 0.000 0.488 510 E N 0.356 120.574 120.200 0.030 0.000 2.265 510 E HA -0.208 4.134 4.350 -0.013 0.000 0.196 510 E C 1.633 178.228 176.600 -0.009 0.000 0.996 510 E CA 1.034 57.445 56.400 0.018 0.000 0.832 510 E CB -0.150 29.585 29.700 0.057 0.000 0.756 510 E HN 0.470 nan 8.360 nan 0.000 0.491 511 Y N -0.719 119.581 120.300 0.000 0.000 2.421 511 Y HA -0.071 4.472 4.550 -0.011 0.000 0.292 511 Y C 1.743 177.615 175.900 -0.046 0.000 1.136 511 Y CA 0.548 58.640 58.100 -0.014 0.000 1.255 511 Y CB -0.499 37.956 38.460 -0.008 0.000 0.991 511 Y HN -0.059 nan 8.280 nan 0.000 0.552 512 I N 0.890 121.013 120.570 -0.745 0.000 2.361 512 I HA -0.223 3.940 4.170 -0.013 0.000 0.251 512 I C 1.650 177.510 176.117 -0.428 0.000 1.133 512 I CA 1.768 62.655 61.300 -0.688 0.000 1.413 512 I CB -0.337 37.157 38.000 -0.843 0.000 1.073 512 I HN 0.467 nan 8.210 nan 0.000 0.424 513 S N -2.060 113.493 115.700 -0.245 0.000 2.663 513 S HA 0.193 4.655 4.470 -0.013 0.000 0.243 513 S C 0.090 174.672 174.600 -0.031 0.000 1.009 513 S CA -0.504 57.629 58.200 -0.112 0.000 0.988 513 S CB 0.295 63.491 63.200 -0.007 0.000 0.896 513 S HN 0.264 nan 8.310 nan 0.000 0.502 514 D N 0.760 121.152 120.400 -0.013 0.000 2.823 514 D HA 0.234 4.867 4.640 -0.013 0.000 0.255 514 D C 0.321 176.661 176.300 0.066 0.000 1.257 514 D CA -0.382 53.633 54.000 0.026 0.000 0.803 514 D CB 0.480 41.299 40.800 0.033 0.000 1.384 514 D HN 0.117 nan 8.370 nan 0.000 0.541 515 L N 1.255 122.517 121.223 0.065 0.000 2.265 515 L HA 0.011 4.343 4.340 -0.013 0.000 0.215 515 L C 1.392 178.313 176.870 0.085 0.000 1.117 515 L CA 1.511 56.419 54.840 0.114 0.000 0.782 515 L CB -0.057 42.063 42.059 0.101 0.000 0.914 515 L HN 0.238 nan 8.230 nan 0.000 0.441 516 D N -0.636 119.790 120.400 0.044 0.000 2.265 516 D HA -0.218 4.414 4.640 -0.013 0.000 0.208 516 D C 1.947 178.266 176.300 0.032 0.000 0.977 516 D CA 0.827 54.839 54.000 0.020 0.000 0.871 516 D CB 0.029 40.829 40.800 -0.001 0.000 0.925 516 D HN 0.547 nan 8.370 nan 0.000 0.485 517 Q N -0.060 119.775 119.800 0.059 0.000 2.364 517 Q HA -0.075 4.257 4.340 -0.013 0.000 0.209 517 Q C 2.279 178.294 176.000 0.025 0.000 0.977 517 Q CA 0.314 56.152 55.803 0.058 0.000 0.885 517 Q CB -0.023 28.780 28.738 0.107 0.000 0.941 517 Q HN 0.408 nan 8.270 nan 0.000 0.464 518 L N 0.181 121.412 121.223 0.013 0.000 2.261 518 L HA -0.196 4.136 4.340 -0.013 0.000 0.216 518 L C 2.289 179.150 176.870 -0.015 0.000 1.114 518 L CA 0.889 55.702 54.840 -0.045 0.000 0.777 518 L CB -0.396 41.647 42.059 -0.026 0.000 0.910 518 L HN 0.221 nan 8.230 nan 0.000 0.440 519 R N 0.446 120.949 120.500 0.004 0.000 2.139 519 R HA -0.197 4.136 4.340 -0.013 0.000 0.243 519 R C 2.106 178.410 176.300 0.007 0.000 1.145 519 R CA 1.197 57.302 56.100 0.008 0.000 0.976 519 R CB -0.262 30.040 30.300 0.004 0.000 0.866 519 R HN 0.410 nan 8.270 nan 0.000 0.449 520 K N 0.612 121.016 120.400 0.006 0.000 2.281 520 K HA -0.121 4.192 4.320 -0.013 0.000 0.203 520 K C 1.870 178.509 176.600 0.064 0.000 1.046 520 K CA 0.923 57.224 56.287 0.023 0.000 0.938 520 K CB -0.120 32.398 32.500 0.030 0.000 0.737 520 K HN 0.223 nan 8.250 nan 0.000 0.458 521 L N 0.467 121.708 121.223 0.031 0.000 2.362 521 L HA -0.142 4.190 4.340 -0.013 0.000 0.219 521 L C 1.806 178.735 176.870 0.099 0.000 1.134 521 L CA 0.080 54.950 54.840 0.050 0.000 0.807 521 L CB -0.292 41.758 42.059 -0.014 0.000 0.927 521 L HN 0.128 nan 8.230 nan 0.000 0.447 522 L N -0.318 120.935 121.223 0.050 0.000 2.127 522 L HA -0.196 4.136 4.340 -0.013 0.000 0.211 522 L C 2.561 179.417 176.870 -0.022 0.000 1.089 522 L CA 1.500 56.355 54.840 0.025 0.000 0.757 522 L CB -1.064 40.998 42.059 0.005 0.000 0.899 522 L HN 0.164 nan 8.230 nan 0.000 0.434 523 S N -1.826 113.817 115.700 -0.094 0.000 2.507 523 S HA -0.117 4.345 4.470 -0.013 0.000 0.235 523 S C 1.174 175.506 174.600 -0.446 0.000 0.988 523 S CA 0.670 58.696 58.200 -0.291 0.000 0.944 523 S CB -0.285 62.652 63.200 -0.439 0.000 0.762 523 S HN 0.473 nan 8.310 nan 0.000 0.526 524 Y N -0.937 119.293 120.300 -0.116 0.000 2.531 524 Y HA 0.348 4.896 4.550 -0.004 0.000 0.249 524 Y C 1.737 177.674 175.900 0.062 0.000 1.168 524 Y CA -0.450 57.582 58.100 -0.114 0.000 1.226 524 Y CB 0.024 38.201 38.460 -0.472 0.000 1.177 524 Y HN 0.073 nan 8.280 nan 0.000 0.527 525 V N 0.447 120.449 119.914 0.147 0.000 2.720 525 V HA -0.214 3.899 4.120 -0.013 0.000 0.256 525 V C 0.972 177.133 176.094 0.110 0.000 1.082 525 V CA 2.187 64.574 62.300 0.145 0.000 1.101 525 V CB -0.032 31.839 31.823 0.081 0.000 0.693 525 V HN 0.359 nan 8.190 nan 0.000 0.479 526 D N -0.726 119.718 120.400 0.073 0.000 2.363 526 D HA 0.100 4.732 4.640 -0.013 0.000 0.214 526 D C 0.425 176.770 176.300 0.074 0.000 1.093 526 D CA 0.018 54.051 54.000 0.055 0.000 0.837 526 D CB 0.104 40.914 40.800 0.016 0.000 0.948 526 D HN 0.439 nan 8.370 nan 0.000 0.507 527 D N 1.826 122.306 120.400 0.132 0.000 2.336 527 D HA -0.019 4.613 4.640 -0.013 0.000 0.249 527 D C 1.169 177.573 176.300 0.174 0.000 1.213 527 D CA -0.016 54.084 54.000 0.166 0.000 0.870 527 D CB 1.201 42.170 40.800 0.282 0.000 1.076 527 D HN -0.134 nan 8.370 nan 0.000 0.483 528 E N 2.876 123.143 120.200 0.112 0.000 2.110 528 E HA -0.173 4.170 4.350 -0.013 0.000 0.193 528 E C 1.636 178.290 176.600 0.090 0.000 0.988 528 E CA 0.776 57.226 56.400 0.083 0.000 0.804 528 E CB -0.002 29.730 29.700 0.053 0.000 0.745 528 E HN 0.649 nan 8.360 nan 0.000 0.458 529 A N 0.715 123.605 122.820 0.116 0.000 1.855 529 A HA -0.166 4.146 4.320 -0.013 0.000 0.215 529 A C 2.085 179.755 177.584 0.143 0.000 1.191 529 A CA 1.131 53.234 52.037 0.111 0.000 0.613 529 A CB -0.822 18.247 19.000 0.115 0.000 0.829 529 A HN 0.247 nan 8.150 nan 0.000 0.442 530 F N 0.730 120.700 119.950 0.033 0.000 2.095 530 F HA -0.171 4.349 4.527 -0.012 0.000 0.298 530 F C 2.042 177.849 175.800 0.012 0.000 1.104 530 F CA 1.476 59.481 58.000 0.008 0.000 1.232 530 F CB -0.415 38.603 39.000 0.031 0.000 0.987 530 F HN 0.182 nan 8.300 nan 0.000 0.475 531 I N 0.001 120.599 120.570 0.048 0.000 2.145 531 I HA -0.403 3.759 4.170 -0.013 0.000 0.244 531 I C 2.684 178.745 176.117 -0.093 0.000 1.075 531 I CA 1.997 63.270 61.300 -0.046 0.000 1.332 531 I CB -0.556 37.464 38.000 0.034 0.000 1.033 531 I HN 0.099 nan 8.210 nan 0.000 0.410 532 R N 0.893 121.365 120.500 -0.046 0.000 2.081 532 R HA -0.205 4.127 4.340 -0.013 0.000 0.235 532 R C 1.907 178.155 176.300 -0.087 0.000 1.131 532 R CA 2.080 58.151 56.100 -0.049 0.000 0.960 532 R CB -0.193 30.097 30.300 -0.016 0.000 0.856 532 R HN 0.292 nan 8.270 nan 0.000 0.436 533 D N -0.222 120.108 120.400 -0.117 0.000 2.117 533 D HA -0.119 4.513 4.640 -0.013 0.000 0.198 533 D C 1.963 178.134 176.300 -0.215 0.000 0.982 533 D CA 1.296 55.212 54.000 -0.140 0.000 0.828 533 D CB -0.172 40.559 40.800 -0.114 0.000 0.967 533 D HN 0.102 nan 8.370 nan 0.000 0.464 534 V N 1.436 121.127 119.914 -0.372 0.000 2.295 534 V HA -0.248 3.865 4.120 -0.013 0.000 0.246 534 V C 2.525 178.523 176.094 -0.160 0.000 1.049 534 V CA 1.911 64.006 62.300 -0.342 0.000 1.024 534 V CB -0.836 30.699 31.823 -0.479 0.000 0.648 534 V HN 0.190 nan 8.190 nan 0.000 0.447 535 A N -0.439 122.309 122.820 -0.121 0.000 1.933 535 A HA -0.250 4.063 4.320 -0.013 0.000 0.218 535 A C 2.359 179.906 177.584 -0.062 0.000 1.175 535 A CA 2.099 54.099 52.037 -0.062 0.000 0.628 535 A CB -0.463 18.506 19.000 -0.052 0.000 0.814 535 A HN 0.538 nan 8.150 nan 0.000 0.444 536 K N -0.189 120.169 120.400 -0.070 0.000 2.057 536 K HA -0.074 4.238 4.320 -0.013 0.000 0.206 536 K C 1.804 178.376 176.600 -0.047 0.000 1.050 536 K CA 1.536 57.791 56.287 -0.054 0.000 0.935 536 K CB -0.255 32.216 32.500 -0.049 0.000 0.715 536 K HN 0.220 nan 8.250 nan 0.000 0.439 537 V N 1.841 121.721 119.914 -0.056 0.000 2.343 537 V HA -0.242 3.871 4.120 -0.013 0.000 0.247 537 V C 2.399 178.477 176.094 -0.027 0.000 1.051 537 V CA 1.979 64.255 62.300 -0.040 0.000 1.036 537 V CB -0.477 31.317 31.823 -0.050 0.000 0.654 537 V HN 0.351 nan 8.190 nan 0.000 0.451 538 K N 0.462 120.844 120.400 -0.030 0.000 2.026 538 K HA -0.226 4.086 4.320 -0.013 0.000 0.208 538 K C 2.179 178.752 176.600 -0.045 0.000 1.048 538 K CA 1.789 58.065 56.287 -0.018 0.000 0.929 538 K CB -0.547 31.958 32.500 0.008 0.000 0.713 538 K HN 0.374 nan 8.250 nan 0.000 0.439 539 Q N 1.053 120.820 119.800 -0.055 0.000 2.096 539 Q HA -0.145 4.187 4.340 -0.013 0.000 0.204 539 Q C 1.724 177.702 176.000 -0.038 0.000 0.982 539 Q CA 2.114 57.877 55.803 -0.068 0.000 0.850 539 Q CB -0.139 28.564 28.738 -0.059 0.000 0.901 539 Q HN 0.516 nan 8.270 nan 0.000 0.422 540 E N -0.501 119.688 120.200 -0.018 0.000 2.051 540 E HA -0.176 4.167 4.350 -0.013 0.000 0.192 540 E C 1.807 178.425 176.600 0.031 0.000 0.991 540 E CA 1.058 57.462 56.400 0.006 0.000 0.799 540 E CB -0.141 29.561 29.700 0.003 0.000 0.748 540 E HN 0.408 nan 8.360 nan 0.000 0.449 541 N N 1.070 119.785 118.700 0.026 0.000 2.104 541 N HA -0.149 4.584 4.740 -0.013 0.000 0.190 541 N C 1.541 177.121 175.510 0.116 0.000 1.024 541 N CA 1.128 54.213 53.050 0.059 0.000 0.853 541 N CB -0.129 38.379 38.487 0.034 0.000 1.008 541 N HN 0.144 nan 8.380 nan 0.000 0.424 542 K N 0.493 120.922 120.400 0.048 0.000 2.097 542 K HA 0.026 4.338 4.320 -0.013 0.000 0.205 542 K C 2.114 178.825 176.600 0.184 0.000 1.050 542 K CA 0.588 56.909 56.287 0.056 0.000 0.938 542 K CB -0.138 32.129 32.500 -0.388 0.000 0.718 542 K HN 0.107 nan 8.250 nan 0.000 0.442 543 L N 1.206 122.487 121.223 0.096 0.000 2.017 543 L HA -0.201 4.131 4.340 -0.013 0.000 0.208 543 L C 2.615 179.571 176.870 0.143 0.000 1.073 543 L CA 1.342 56.246 54.840 0.107 0.000 0.745 543 L CB -0.319 41.773 42.059 0.056 0.000 0.894 543 L HN 0.156 nan 8.230 nan 0.000 0.432 544 K N -0.379 120.111 120.400 0.150 0.000 2.057 544 K HA -0.237 4.076 4.320 -0.013 0.000 0.207 544 K C 2.158 178.904 176.600 0.243 0.000 1.049 544 K CA 1.603 57.987 56.287 0.162 0.000 0.931 544 K CB -0.127 32.454 32.500 0.136 0.000 0.714 544 K HN 0.095 nan 8.250 nan 0.000 0.440 545 F N 0.907 120.954 119.950 0.162 0.000 2.206 545 F HA 0.030 4.550 4.527 -0.013 0.000 0.298 545 F C 1.971 177.918 175.800 0.244 0.000 1.090 545 F CA 1.044 59.174 58.000 0.217 0.000 1.323 545 F CB -0.292 38.843 39.000 0.226 0.000 1.028 545 F HN 0.056 nan 8.300 nan 0.000 0.492 546 A N 0.087 123.063 122.820 0.261 0.000 1.972 546 A HA -0.044 4.268 4.320 -0.013 0.000 0.219 546 A C 2.340 179.922 177.584 -0.003 0.000 1.169 546 A CA 1.656 53.767 52.037 0.125 0.000 0.635 546 A CB -1.346 17.793 19.000 0.232 0.000 0.810 546 A HN 0.431 nan 8.150 nan 0.000 0.446 547 A N -1.706 121.136 122.820 0.037 0.000 1.930 547 A HA 0.025 4.337 4.320 -0.013 0.000 0.215 547 A C 2.073 179.643 177.584 -0.024 0.000 1.176 547 A CA 1.336 53.374 52.037 0.002 0.000 0.632 547 A CB -0.729 18.298 19.000 0.044 0.000 0.819 547 A HN 0.689 nan 8.150 nan 0.000 0.445 548 Y N 0.694 120.920 120.300 -0.123 0.000 2.165 548 Y HA -0.183 4.359 4.550 -0.013 0.000 0.286 548 Y C 1.880 177.670 175.900 -0.183 0.000 1.155 548 Y CA 1.798 59.810 58.100 -0.147 0.000 1.164 548 Y CB -0.267 38.100 38.460 -0.155 0.000 0.978 548 Y HN 0.217 nan 8.280 nan 0.000 0.513 549 L N -0.057 120.972 121.223 -0.323 0.000 2.017 549 L HA -0.220 4.112 4.340 -0.013 0.000 0.208 549 L C 2.444 179.177 176.870 -0.229 0.000 1.073 549 L CA 1.878 56.535 54.840 -0.304 0.000 0.745 549 L CB -0.559 41.316 42.059 -0.306 0.000 0.894 549 L HN 0.277 nan 8.230 nan 0.000 0.432 550 E N -0.266 119.788 120.200 -0.244 0.000 2.051 550 E HA -0.234 4.109 4.350 -0.013 0.000 0.192 550 E C 2.354 178.823 176.600 -0.217 0.000 0.991 550 E CA 1.152 57.383 56.400 -0.280 0.000 0.799 550 E CB -0.026 29.474 29.700 -0.333 0.000 0.748 550 E HN 0.392 nan 8.360 nan 0.000 0.449 551 R N 0.545 120.915 120.500 -0.217 0.000 2.062 551 R HA -0.126 4.206 4.340 -0.013 0.000 0.231 551 R C 2.114 178.251 176.300 -0.271 0.000 1.136 551 R CA 1.299 57.281 56.100 -0.198 0.000 0.948 551 R CB -0.061 30.146 30.300 -0.155 0.000 0.845 551 R HN -0.007 nan 8.270 nan 0.000 0.430 552 E N -1.424 118.508 120.200 -0.445 0.000 2.385 552 E HA -0.032 4.310 4.350 -0.013 0.000 0.194 552 E C 0.122 176.249 176.600 -0.788 0.000 1.013 552 E CA 0.762 56.781 56.400 -0.636 0.000 0.866 552 E CB 0.463 29.624 29.700 -0.899 0.000 0.832 552 E HN 0.340 nan 8.360 nan 0.000 0.500 553 Y N -0.661 119.489 120.300 -0.249 0.000 2.728 553 Y HA 0.226 4.768 4.550 -0.013 0.000 0.256 553 Y C -0.066 175.772 175.900 -0.104 0.000 1.112 553 Y CA -0.598 57.412 58.100 -0.151 0.000 1.240 553 Y CB 0.847 39.217 38.460 -0.150 0.000 1.337 553 Y HN -0.253 nan 8.280 nan 0.000 0.559 554 K N 0.154 120.539 120.400 -0.025 0.000 2.975 554 K HA -0.153 4.159 4.320 -0.013 0.000 0.257 554 K C -0.328 176.299 176.600 0.045 0.000 1.005 554 K CA 0.915 57.199 56.287 -0.005 0.000 0.738 554 K CB -2.438 30.088 32.500 0.043 0.000 1.236 554 K HN 0.270 nan 8.250 nan 0.000 0.483 555 V N -1.819 118.079 119.914 -0.026 0.000 2.483 555 V HA 0.467 4.579 4.120 -0.013 0.000 0.295 555 V C 0.432 176.464 176.094 -0.102 0.000 1.035 555 V CA -0.747 61.561 62.300 0.013 0.000 0.896 555 V CB 2.061 33.882 31.823 -0.003 0.000 0.986 555 V HN 0.223 nan 8.190 nan 0.000 0.447 556 H N 5.610 124.666 119.070 -0.023 0.000 2.623 556 H HA 0.576 5.124 4.556 -0.013 0.000 0.299 556 H C -0.376 174.942 175.328 -0.016 0.000 1.052 556 H CA -0.210 55.830 56.048 -0.014 0.000 1.231 556 H CB 1.839 31.598 29.762 -0.006 0.000 1.389 556 H HN 0.856 nan 8.280 nan 0.000 0.469 557 I N 0.355 120.961 120.570 0.061 0.000 2.603 557 I HA 0.350 4.513 4.170 -0.013 0.000 0.300 557 I C 0.122 176.312 176.117 0.121 0.000 1.017 557 I CA -1.244 60.092 61.300 0.059 0.000 1.098 557 I CB 1.826 39.820 38.000 -0.010 0.000 1.279 557 I HN 0.231 nan 8.210 nan 0.000 0.437 558 N N 5.649 124.427 118.700 0.130 0.000 2.401 558 N HA 0.332 5.065 4.740 -0.013 0.000 0.255 558 N C -1.971 173.685 175.510 0.243 0.000 1.110 558 N CA -2.258 50.881 53.050 0.147 0.000 0.949 558 N CB 0.869 39.416 38.487 0.099 0.000 1.110 558 N HN 0.395 nan 8.380 nan 0.000 0.490 559 P HA 0.050 nan 4.420 nan 0.000 0.237 559 P C -0.110 177.184 177.300 -0.011 0.000 1.178 559 P CA 0.892 64.080 63.100 0.146 0.000 0.766 559 P CB 0.161 31.918 31.700 0.096 0.000 0.876 560 N N -0.841 117.886 118.700 0.046 0.000 2.463 560 N HA -0.016 4.717 4.740 -0.013 0.000 0.181 560 N C 0.541 176.089 175.510 0.063 0.000 1.078 560 N CA -0.034 53.034 53.050 0.030 0.000 0.902 560 N CB -0.057 38.457 38.487 0.046 0.000 0.970 560 N HN 0.161 nan 8.380 nan 0.000 0.451 561 S N 0.427 116.181 115.700 0.090 0.000 2.600 561 S HA 0.155 4.617 4.470 -0.013 0.000 0.265 561 S C 0.075 174.653 174.600 -0.037 0.000 1.325 561 S CA -0.879 57.357 58.200 0.060 0.000 1.002 561 S CB 1.039 64.303 63.200 0.106 0.000 0.921 561 S HN 0.180 nan 8.310 nan 0.000 0.554 562 L N 1.973 123.004 121.223 -0.320 0.000 2.418 562 L HA 0.323 4.656 4.340 -0.013 0.000 0.274 562 L C -1.052 175.795 176.870 -0.039 0.000 1.135 562 L CA -0.587 53.874 54.840 -0.632 0.000 0.870 562 L CB -0.186 41.220 42.059 -1.089 0.000 1.154 562 L HN 0.620 nan 8.230 nan 0.000 0.462 563 F N 3.751 123.564 119.950 -0.227 0.000 2.405 563 F HA 0.187 4.707 4.527 -0.012 0.000 0.358 563 F C 0.407 176.137 175.800 -0.117 0.000 1.151 563 F CA -0.962 56.974 58.000 -0.108 0.000 1.161 563 F CB 0.143 39.128 39.000 -0.025 0.000 1.245 563 F HN 0.412 nan 8.300 nan 0.000 0.545 564 D N 3.934 124.331 120.400 -0.005 0.000 2.412 564 D HA 0.394 5.027 4.640 -0.013 0.000 0.224 564 D C -1.051 175.186 176.300 -0.105 0.000 1.093 564 D CA -0.087 53.866 54.000 -0.078 0.000 0.850 564 D CB 1.076 41.816 40.800 -0.100 0.000 1.046 564 D HN 0.147 nan 8.370 nan 0.000 0.507 565 V N 4.454 124.284 119.914 -0.141 0.000 2.487 565 V HA 0.386 4.498 4.120 -0.013 0.000 0.298 565 V C -0.215 175.723 176.094 -0.260 0.000 1.028 565 V CA -0.832 61.370 62.300 -0.164 0.000 0.860 565 V CB 1.762 33.554 31.823 -0.051 0.000 0.991 565 V HN 0.512 nan 8.190 nan 0.000 0.427 566 Q N 3.777 123.448 119.800 -0.216 0.000 2.394 566 Q HA 0.638 4.971 4.340 -0.013 0.000 0.261 566 Q C -1.394 174.448 176.000 -0.265 0.000 1.023 566 Q CA -0.449 55.217 55.803 -0.229 0.000 0.720 566 Q CB 1.919 30.551 28.738 -0.176 0.000 1.241 566 Q HN 0.801 nan 8.270 nan 0.000 0.483 567 V N 1.518 121.261 119.914 -0.285 0.000 2.487 567 V HA 0.878 4.990 4.120 -0.013 0.000 0.298 567 V C -0.955 174.864 176.094 -0.459 0.000 1.028 567 V CA -0.554 61.391 62.300 -0.591 0.000 0.860 567 V CB 1.241 32.461 31.823 -1.006 0.000 0.991 567 V HN 0.823 nan 8.190 nan 0.000 0.427 568 K N 2.502 122.674 120.400 -0.379 0.000 2.960 568 K HA 0.402 4.715 4.320 -0.013 0.000 0.296 568 K C -1.261 175.339 176.600 -0.000 0.000 1.092 568 K CA -1.191 55.057 56.287 -0.064 0.000 0.847 568 K CB 0.802 33.256 32.500 -0.076 0.000 1.458 568 K HN 0.467 nan 8.250 nan 0.000 0.359 569 R N 0.966 121.516 120.500 0.083 0.000 2.698 569 R HA 0.151 4.484 4.340 -0.013 0.000 0.266 569 R C 0.350 176.676 176.300 0.043 0.000 1.026 569 R CA -0.340 55.823 56.100 0.105 0.000 1.102 569 R CB -0.129 30.260 30.300 0.149 0.000 0.978 569 R HN 0.469 nan 8.270 nan 0.000 0.436 570 I N 4.118 124.725 120.570 0.062 0.000 2.436 570 I HA 0.089 4.252 4.170 -0.013 0.000 0.289 570 I C 0.770 176.884 176.117 -0.006 0.000 1.083 570 I CA 0.559 61.851 61.300 -0.014 0.000 1.372 570 I CB -0.464 37.515 38.000 -0.036 0.000 1.408 570 I HN 0.350 nan 8.210 nan 0.000 0.516 571 H N 5.204 124.176 119.070 -0.163 0.000 3.046 571 H HA 0.231 4.779 4.556 -0.013 0.000 0.363 571 H C 0.457 175.669 175.328 -0.194 0.000 1.203 571 H CA -0.387 55.609 56.048 -0.087 0.000 1.169 571 H CB 1.896 31.617 29.762 -0.069 0.000 1.851 571 H HN 0.591 nan 8.280 nan 0.000 0.546 572 E N 1.962 122.217 120.200 0.091 0.000 2.097 572 E HA -0.259 4.083 4.350 -0.013 0.000 0.196 572 E C 1.400 177.879 176.600 -0.202 0.000 1.000 572 E CA 2.016 58.468 56.400 0.086 0.000 0.804 572 E CB -0.106 29.798 29.700 0.340 0.000 0.740 572 E HN 0.598 nan 8.360 nan 0.000 0.454 573 Y N 0.784 120.754 120.300 -0.551 0.000 2.352 573 Y HA -0.057 4.485 4.550 -0.013 0.000 0.292 573 Y C 1.584 177.222 175.900 -0.437 0.000 1.136 573 Y CA 0.929 58.364 58.100 -1.109 0.000 1.227 573 Y CB -0.148 37.592 38.460 -1.201 0.000 0.991 573 Y HN -0.200 nan 8.280 nan 0.000 0.545 574 K N 0.610 120.546 120.400 -0.773 0.000 2.366 574 K HA 0.062 4.375 4.320 -0.013 0.000 0.198 574 K C 0.201 176.637 176.600 -0.273 0.000 1.044 574 K CA 0.599 56.555 56.287 -0.552 0.000 0.973 574 K CB -0.025 32.131 32.500 -0.573 0.000 0.767 574 K HN 0.247 nan 8.250 nan 0.000 0.475 575 R N 0.214 120.588 120.500 -0.210 0.000 3.423 575 R HA -0.232 4.100 4.340 -0.013 0.000 0.271 575 R C 0.317 176.546 176.300 -0.120 0.000 1.093 575 R CA 0.257 56.282 56.100 -0.124 0.000 0.730 575 R CB -2.014 28.228 30.300 -0.098 0.000 1.190 575 R HN 0.287 nan 8.270 nan 0.000 0.437 576 Q N 0.413 120.140 119.800 -0.121 0.000 2.217 576 Q HA -0.117 4.216 4.340 -0.013 0.000 0.209 576 Q C 2.049 178.006 176.000 -0.071 0.000 0.988 576 Q CA 1.739 57.485 55.803 -0.095 0.000 0.878 576 Q CB -0.056 28.629 28.738 -0.088 0.000 0.909 576 Q HN 0.591 nan 8.270 nan 0.000 0.424 577 L N -0.683 120.500 121.223 -0.066 0.000 2.083 577 L HA -0.190 4.142 4.340 -0.013 0.000 0.209 577 L C 2.052 178.927 176.870 0.008 0.000 1.083 577 L CA 0.608 55.423 54.840 -0.041 0.000 0.752 577 L CB -0.355 41.691 42.059 -0.023 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N 0.071 121.293 121.223 -0.003 0.000 2.046 578 L HA -0.256 4.077 4.340 -0.013 0.000 0.208 578 L C 2.043 178.971 176.870 0.097 0.000 1.077 578 L CA 1.964 56.814 54.840 0.016 0.000 0.747 578 L CB -0.830 41.133 42.059 -0.161 0.000 0.896 578 L HN 0.282 nan 8.230 nan 0.000 0.432 579 N N -1.567 117.156 118.700 0.037 0.000 2.061 579 N HA -0.266 4.466 4.740 -0.013 0.000 0.193 579 N C 1.968 177.565 175.510 0.144 0.000 1.030 579 N CA 1.888 55.041 53.050 0.171 0.000 0.856 579 N CB -0.184 38.332 38.487 0.049 0.000 1.023 579 N HN 0.512 nan 8.380 nan 0.000 0.424 580 C N 0.558 119.878 119.300 0.033 0.000 2.401 580 C HA -0.121 4.332 4.460 -0.013 0.000 0.276 580 C C 2.598 177.586 174.990 -0.003 0.000 1.233 580 C CA 0.486 59.478 59.018 -0.043 0.000 1.753 580 C CB -1.314 26.348 27.740 -0.131 0.000 2.029 580 C HN 0.503 nan 8.230 nan 0.000 0.478 581 L N -0.520 120.763 121.223 0.099 0.000 2.083 581 L HA -0.185 4.148 4.340 -0.013 0.000 0.209 581 L C 2.762 179.792 176.870 0.266 0.000 1.083 581 L CA 1.762 56.709 54.840 0.178 0.000 0.752 581 L CB -1.058 41.172 42.059 0.284 0.000 0.899 581 L HN 0.588 nan 8.230 nan 0.000 0.433 582 H N -0.000 119.186 119.070 0.194 0.000 2.353 582 H HA -0.133 4.415 4.556 -0.013 0.000 0.300 582 H C 2.227 177.550 175.328 -0.007 0.000 1.090 582 H CA 1.856 57.931 56.048 0.044 0.000 1.327 582 H CB 0.341 30.042 29.762 -0.101 0.000 1.383 582 H HN 0.094 nan 8.280 nan 0.000 0.508 583 V N 1.604 121.451 119.914 -0.111 0.000 2.287 583 V HA -0.279 3.833 4.120 -0.013 0.000 0.248 583 V C 2.824 178.859 176.094 -0.098 0.000 1.053 583 V CA 1.934 64.133 62.300 -0.169 0.000 1.027 583 V CB -0.500 31.266 31.823 -0.095 0.000 0.646 583 V HN 0.395 nan 8.190 nan 0.000 0.447 584 I N -0.250 120.299 120.570 -0.034 0.000 2.315 584 I HA -0.201 3.961 4.170 -0.013 0.000 0.248 584 I C 2.501 178.681 176.117 0.104 0.000 1.117 584 I CA 1.605 62.955 61.300 0.084 0.000 1.404 584 I CB -0.755 37.272 38.000 0.045 0.000 1.071 584 I HN 0.321 nan 8.210 nan 0.000 0.419 585 T N 1.416 115.990 114.554 0.032 0.000 2.684 585 T HA -0.165 4.178 4.350 -0.013 0.000 0.267 585 T C 1.885 176.543 174.700 -0.069 0.000 1.036 585 T CA 1.318 63.426 62.100 0.014 0.000 1.148 585 T CB -0.265 68.637 68.868 0.056 0.000 0.863 585 T HN 0.077 nan 8.240 nan 0.000 0.436 586 L N 0.064 121.178 121.223 -0.182 0.000 2.017 586 L HA -0.015 4.317 4.340 -0.013 0.000 0.208 586 L C 2.137 178.971 176.870 -0.061 0.000 1.073 586 L CA 1.532 56.261 54.840 -0.185 0.000 0.745 586 L CB -1.199 40.676 42.059 -0.308 0.000 0.894 586 L HN 0.331 nan 8.230 nan 0.000 0.432 587 Y N 0.631 120.871 120.300 -0.099 0.000 2.128 587 Y HA -0.287 4.255 4.550 -0.013 0.000 0.284 587 Y C 2.447 178.330 175.900 -0.027 0.000 1.154 587 Y CA 1.897 59.977 58.100 -0.033 0.000 1.149 587 Y CB -0.289 38.199 38.460 0.046 0.000 0.976 587 Y HN 0.287 nan 8.280 nan 0.000 0.505 588 N N 0.357 119.015 118.700 -0.070 0.000 2.166 588 N HA -0.141 4.591 4.740 -0.013 0.000 0.186 588 N C 1.907 177.306 175.510 -0.184 0.000 1.019 588 N CA 1.572 54.518 53.050 -0.172 0.000 0.856 588 N CB -0.388 38.063 38.487 -0.060 0.000 0.993 588 N HN 0.435 nan 8.380 nan 0.000 0.426 589 R N 0.384 120.804 120.500 -0.133 0.000 2.075 589 R HA 0.062 4.394 4.340 -0.013 0.000 0.232 589 R C 2.234 178.450 176.300 -0.140 0.000 1.126 589 R CA 0.773 56.801 56.100 -0.119 0.000 0.963 589 R CB -0.272 29.969 30.300 -0.098 0.000 0.858 589 R HN 0.239 nan 8.270 nan 0.000 0.435 590 I N 0.988 121.456 120.570 -0.171 0.000 2.179 590 I HA -0.284 3.879 4.170 -0.013 0.000 0.242 590 I C 2.167 178.166 176.117 -0.197 0.000 1.088 590 I CA 1.260 62.458 61.300 -0.170 0.000 1.357 590 I CB -0.200 37.703 38.000 -0.161 0.000 1.051 590 I HN 0.038 nan 8.210 nan 0.000 0.409 591 K N 0.832 121.049 120.400 -0.306 0.000 2.147 591 K HA -0.218 4.094 4.320 -0.013 0.000 0.205 591 K C 2.035 178.531 176.600 -0.174 0.000 1.049 591 K CA 1.239 57.357 56.287 -0.282 0.000 0.936 591 K CB -0.321 31.924 32.500 -0.424 0.000 0.722 591 K HN 0.332 nan 8.250 nan 0.000 0.446 592 K N 1.141 121.446 120.400 -0.157 0.000 2.062 592 K HA -0.093 4.220 4.320 -0.013 0.000 0.205 592 K C 0.100 176.650 176.600 -0.083 0.000 1.051 592 K CA 1.116 57.337 56.287 -0.108 0.000 0.941 592 K CB 0.302 32.743 32.500 -0.098 0.000 0.719 592 K HN 0.066 nan 8.250 nan 0.000 0.440 593 E N 0.174 120.324 120.200 -0.083 0.000 3.037 593 E HA 0.119 4.461 4.350 -0.013 0.000 0.220 593 E C -2.292 174.272 176.600 -0.060 0.000 1.142 593 E CA -1.642 54.722 56.400 -0.059 0.000 0.888 593 E CB 1.672 31.344 29.700 -0.047 0.000 1.329 593 E HN 0.156 nan 8.360 nan 0.000 0.409 594 P HA -0.109 nan 4.420 nan 0.000 0.220 594 P C 0.211 177.492 177.300 -0.032 0.000 1.148 594 P CA 1.113 64.179 63.100 -0.056 0.000 0.803 594 P CB 0.211 31.881 31.700 -0.049 0.000 0.782 595 N N -1.243 117.446 118.700 -0.017 0.000 2.268 595 N HA 0.026 4.758 4.740 -0.013 0.000 0.204 595 N C 0.541 176.065 175.510 0.024 0.000 1.124 595 N CA -0.141 52.912 53.050 0.004 0.000 0.838 595 N CB 0.158 38.647 38.487 0.004 0.000 0.994 595 N HN -0.017 nan 8.380 nan 0.000 0.489 596 K N 1.142 121.550 120.400 0.014 0.000 2.143 596 K HA 0.146 4.458 4.320 -0.013 0.000 0.272 596 K C -0.871 175.768 176.600 0.065 0.000 1.001 596 K CA -0.533 55.778 56.287 0.040 0.000 0.915 596 K CB 0.677 33.181 32.500 0.007 0.000 1.047 596 K HN -0.052 nan 8.250 nan 0.000 0.458 597 F N 4.438 124.375 119.950 -0.022 0.000 2.456 597 F HA 0.180 4.699 4.527 -0.013 0.000 0.358 597 F C -0.278 175.507 175.800 -0.024 0.000 1.095 597 F CA -0.168 57.820 58.000 -0.020 0.000 1.216 597 F CB 0.593 39.584 39.000 -0.015 0.000 1.125 597 F HN 0.174 nan 8.300 nan 0.000 0.549 598 V N 4.308 123.693 119.914 -0.881 0.000 2.876 598 V HA 0.565 4.678 4.120 -0.013 0.000 0.312 598 V C -0.716 174.769 176.094 -1.016 0.000 1.085 598 V CA -1.210 60.673 62.300 -0.695 0.000 0.945 598 V CB 1.057 32.667 31.823 -0.354 0.000 1.017 598 V HN 0.571 nan 8.190 nan 0.000 0.428 599 V N 4.646 124.242 119.914 -0.530 0.000 2.493 599 V HA 0.187 4.299 4.120 -0.013 0.000 0.292 599 V C -1.832 174.093 176.094 -0.281 0.000 1.016 599 V CA -0.433 61.687 62.300 -0.300 0.000 1.097 599 V CB 0.252 32.021 31.823 -0.090 0.000 0.947 599 V HN 0.904 nan 8.190 nan 0.000 0.479 600 P HA 0.331 nan 4.420 nan 0.000 0.271 600 P C -0.399 176.811 177.300 -0.150 0.000 1.216 600 P CA -0.071 62.936 63.100 -0.154 0.000 0.776 600 P CB 0.548 32.207 31.700 -0.068 0.000 0.881 601 R N 1.044 121.468 120.500 -0.127 0.000 2.686 601 R HA 0.550 4.882 4.340 -0.013 0.000 0.283 601 R C -0.738 175.519 176.300 -0.071 0.000 0.978 601 R CA -0.621 55.407 56.100 -0.120 0.000 0.897 601 R CB 1.944 32.158 30.300 -0.143 0.000 1.192 601 R HN 0.310 nan 8.270 nan 0.000 0.457 602 T N 2.154 116.680 114.554 -0.047 0.000 2.788 602 T HA 0.242 4.585 4.350 -0.013 0.000 0.296 602 T C -0.286 174.323 174.700 -0.152 0.000 1.009 602 T CA -0.484 61.543 62.100 -0.122 0.000 0.949 602 T CB 1.157 69.872 68.868 -0.255 0.000 0.946 602 T HN 0.133 nan 8.240 nan 0.000 0.453 603 V N 5.926 125.762 119.914 -0.130 0.000 2.364 603 V HA 0.409 4.522 4.120 -0.013 0.000 0.272 603 V C 0.054 176.069 176.094 -0.132 0.000 1.036 603 V CA -0.414 61.816 62.300 -0.116 0.000 0.880 603 V CB 0.621 32.393 31.823 -0.085 0.000 0.991 603 V HN 0.860 nan 8.190 nan 0.000 0.460 604 M N 6.708 126.219 119.600 -0.148 0.000 2.243 604 M HA 0.615 5.088 4.480 -0.013 0.000 0.324 604 M C -0.985 175.207 176.300 -0.178 0.000 1.031 604 M CA -0.160 55.044 55.300 -0.160 0.000 0.949 604 M CB 1.947 34.449 32.600 -0.164 0.000 1.615 604 M HN 0.417 nan 8.290 nan 0.000 0.430 605 I N 1.821 122.267 120.570 -0.206 0.000 2.465 605 I HA 0.868 5.030 4.170 -0.013 0.000 0.291 605 I C 0.141 175.921 176.117 -0.562 0.000 1.014 605 I CA -0.637 60.512 61.300 -0.252 0.000 1.093 605 I CB 2.294 40.240 38.000 -0.090 0.000 1.267 605 I HN 0.800 nan 8.210 nan 0.000 0.431 606 G N 2.805 111.245 108.800 -0.599 0.000 2.692 606 G HA2 0.828 4.781 3.960 -0.013 0.000 0.291 606 G HA3 0.828 4.781 3.960 -0.013 0.000 0.291 606 G C -1.052 173.567 174.900 -0.467 0.000 1.423 606 G CA -0.692 43.894 45.100 -0.856 0.000 0.843 606 G HN 1.004 nan 8.290 nan 0.000 0.486 607 G N -0.510 108.176 108.800 -0.190 0.000 2.329 607 G HA2 0.398 4.350 3.960 -0.013 0.000 0.308 607 G HA3 0.398 4.350 3.960 -0.013 0.000 0.308 607 G C -1.256 173.795 174.900 0.253 0.000 1.587 607 G CA -1.024 44.129 45.100 0.089 0.000 0.978 607 G HN 0.592 nan 8.290 nan 0.000 0.685 608 K N -0.032 120.509 120.400 0.235 0.000 2.118 608 K HA 0.728 5.040 4.320 -0.013 0.000 0.267 608 K C 0.384 177.137 176.600 0.255 0.000 0.991 608 K CA -0.081 56.362 56.287 0.260 0.000 0.916 608 K CB 1.891 34.450 32.500 0.099 0.000 1.041 608 K HN 0.873 nan 8.250 nan 0.000 0.455 609 A N 1.530 124.526 122.820 0.294 0.000 2.312 609 A HA 0.606 4.918 4.320 -0.013 0.000 0.326 609 A C -0.389 177.394 177.584 0.331 0.000 1.172 609 A CA -0.707 51.457 52.037 0.211 0.000 0.821 609 A CB 0.916 19.955 19.000 0.065 0.000 1.166 609 A HN 0.782 nan 8.150 nan 0.000 0.493 610 A N 3.692 126.700 122.820 0.313 0.000 2.546 610 A HA 0.448 4.761 4.320 -0.013 0.000 0.243 610 A C -1.372 176.322 177.584 0.184 0.000 1.063 610 A CA -0.741 51.479 52.037 0.306 0.000 0.757 610 A CB -0.374 18.799 19.000 0.288 0.000 0.991 610 A HN 0.606 nan 8.150 nan 0.000 0.503 611 P HA -0.144 nan 4.420 nan 0.000 0.216 611 P C 1.312 178.611 177.300 -0.001 0.000 1.150 611 P CA 1.983 65.039 63.100 -0.073 0.000 0.843 611 P CB 0.203 31.796 31.700 -0.179 0.000 0.787 612 G N -3.138 105.687 108.800 0.041 0.000 3.141 612 G HA2 -0.087 3.866 3.960 -0.013 0.000 0.218 612 G HA3 -0.087 3.866 3.960 -0.013 0.000 0.218 612 G C -0.312 174.629 174.900 0.070 0.000 1.170 612 G CA 0.037 45.159 45.100 0.036 0.000 0.769 612 G HN 0.166 nan 8.290 nan 0.000 0.546 613 Y N 1.659 121.921 120.300 -0.064 0.000 2.676 613 Y HA 0.321 4.863 4.550 -0.013 0.000 0.338 613 Y C 1.236 177.122 175.900 -0.024 0.000 1.057 613 Y CA -2.196 55.844 58.100 -0.100 0.000 1.314 613 Y CB -0.060 38.323 38.460 -0.129 0.000 1.164 613 Y HN 0.370 nan 8.280 nan 0.000 0.509 614 H N 3.782 122.958 119.070 0.176 0.000 2.319 614 H HA -0.203 4.346 4.556 -0.013 0.000 0.299 614 H C 1.912 177.256 175.328 0.027 0.000 1.092 614 H CA 2.810 58.904 56.048 0.077 0.000 1.302 614 H CB 0.249 30.049 29.762 0.062 0.000 1.373 614 H HN 0.591 nan 8.280 nan 0.000 0.497 615 M N 0.427 119.974 119.600 -0.089 0.000 2.149 615 M HA -0.035 4.437 4.480 -0.013 0.000 0.261 615 M C 2.345 178.384 176.300 -0.436 0.000 1.064 615 M CA 1.839 56.999 55.300 -0.233 0.000 1.102 615 M CB -0.737 31.869 32.600 0.009 0.000 1.369 615 M HN 0.415 nan 8.290 nan 0.000 0.408 616 A N -0.477 121.855 122.820 -0.812 0.000 1.930 616 A HA -0.168 4.144 4.320 -0.013 0.000 0.217 616 A C 2.181 179.562 177.584 -0.339 0.000 1.175 616 A CA 1.713 53.315 52.037 -0.725 0.000 0.627 616 A CB -0.612 17.754 19.000 -1.057 0.000 0.815 616 A HN 0.575 nan 8.150 nan 0.000 0.443 617 K N -1.021 119.234 120.400 -0.241 0.000 2.097 617 K HA -0.070 4.242 4.320 -0.013 0.000 0.205 617 K C 1.922 178.477 176.600 -0.074 0.000 1.050 617 K CA 1.313 57.551 56.287 -0.082 0.000 0.938 617 K CB -0.228 32.292 32.500 0.034 0.000 0.718 617 K HN 0.350 nan 8.250 nan 0.000 0.442 618 M N 0.488 119.992 119.600 -0.159 0.000 2.175 618 M HA -0.082 4.390 4.480 -0.013 0.000 0.264 618 M C 2.130 178.368 176.300 -0.103 0.000 1.063 618 M CA 1.391 56.637 55.300 -0.089 0.000 1.119 618 M CB -0.649 31.876 32.600 -0.125 0.000 1.377 618 M HN 0.125 nan 8.290 nan 0.000 0.415 619 I N -0.121 120.347 120.570 -0.169 0.000 2.226 619 I HA -0.295 3.867 4.170 -0.013 0.000 0.245 619 I C 2.291 178.283 176.117 -0.208 0.000 1.100 619 I CA 1.050 62.242 61.300 -0.180 0.000 1.374 619 I CB -0.295 37.596 38.000 -0.181 0.000 1.057 619 I HN 0.167 nan 8.210 nan 0.000 0.413 620 I N 0.665 121.093 120.570 -0.238 0.000 2.179 620 I HA -0.310 3.852 4.170 -0.013 0.000 0.242 620 I C 2.601 178.449 176.117 -0.447 0.000 1.088 620 I CA 1.281 62.345 61.300 -0.394 0.000 1.357 620 I CB -0.318 37.417 38.000 -0.442 0.000 1.051 620 I HN 0.154 nan 8.210 nan 0.000 0.409 621 K N 1.354 121.507 120.400 -0.413 0.000 2.057 621 K HA -0.204 4.108 4.320 -0.013 0.000 0.207 621 K C 1.975 178.429 176.600 -0.244 0.000 1.049 621 K CA 1.515 57.480 56.287 -0.536 0.000 0.931 621 K CB -0.603 31.294 32.500 -1.005 0.000 0.714 621 K HN 0.118 nan 8.250 nan 0.000 0.440 622 L N 0.818 121.933 121.223 -0.180 0.000 2.012 622 L HA -0.078 4.255 4.340 -0.013 0.000 0.210 622 L C 2.033 178.672 176.870 -0.385 0.000 1.073 622 L CA 1.705 56.259 54.840 -0.477 0.000 0.748 622 L CB -0.492 41.170 42.059 -0.661 0.000 0.891 622 L HN 0.304 nan 8.230 nan 0.000 0.431 623 I N -0.655 119.742 120.570 -0.287 0.000 2.163 623 I HA -0.360 3.802 4.170 -0.013 0.000 0.243 623 I C 2.472 178.491 176.117 -0.163 0.000 1.085 623 I CA 1.974 63.157 61.300 -0.193 0.000 1.347 623 I CB -0.894 37.072 38.000 -0.058 0.000 1.044 623 I HN 0.509 nan 8.210 nan 0.000 0.408 624 T N -0.900 113.532 114.554 -0.203 0.000 2.867 624 T HA -0.070 4.272 4.350 -0.013 0.000 0.268 624 T C 1.957 176.597 174.700 -0.100 0.000 1.057 624 T CA 0.941 62.952 62.100 -0.149 0.000 1.136 624 T CB -0.459 68.278 68.868 -0.220 0.000 0.874 624 T HN 0.347 nan 8.240 nan 0.000 0.466 625 A N 1.479 124.237 122.820 -0.104 0.000 1.930 625 A HA 0.164 4.477 4.320 -0.013 0.000 0.217 625 A C 2.369 179.973 177.584 0.034 0.000 1.175 625 A CA 1.216 53.258 52.037 0.007 0.000 0.627 625 A CB -0.784 18.316 19.000 0.166 0.000 0.815 625 A HN 0.588 nan 8.150 nan 0.000 0.443 626 I N -0.242 120.251 120.570 -0.128 0.000 2.179 626 I HA -0.200 3.963 4.170 -0.013 0.000 0.242 626 I C 2.730 178.816 176.117 -0.053 0.000 1.088 626 I CA 1.118 62.331 61.300 -0.144 0.000 1.357 626 I CB -0.669 37.111 38.000 -0.365 0.000 1.051 626 I HN 0.386 nan 8.210 nan 0.000 0.409 627 G N 0.560 109.320 108.800 -0.065 0.000 2.476 627 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.218 627 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.218 627 G C 1.274 176.178 174.900 0.006 0.000 1.164 627 G CA 1.138 46.211 45.100 -0.045 0.000 0.768 627 G HN 0.290 nan 8.290 nan 0.000 0.560 628 D N -0.022 120.412 120.400 0.058 0.000 2.149 628 D HA -0.094 4.539 4.640 -0.013 0.000 0.198 628 D C 2.703 179.104 176.300 0.168 0.000 0.990 628 D CA 0.828 54.917 54.000 0.148 0.000 0.839 628 D CB -0.219 40.619 40.800 0.063 0.000 0.948 628 D HN 0.262 nan 8.370 nan 0.000 0.460 629 V N 0.159 120.102 119.914 0.048 0.000 2.331 629 V HA -0.133 3.980 4.120 -0.013 0.000 0.242 629 V C 2.598 178.636 176.094 -0.092 0.000 1.034 629 V CA 0.758 63.023 62.300 -0.058 0.000 1.027 629 V CB -0.264 31.462 31.823 -0.162 0.000 0.667 629 V HN 0.026 nan 8.190 nan 0.000 0.457 630 V N 0.915 120.728 119.914 -0.169 0.000 2.358 630 V HA -0.178 3.934 4.120 -0.013 0.000 0.246 630 V C 2.091 178.146 176.094 -0.065 0.000 1.047 630 V CA 1.917 64.112 62.300 -0.174 0.000 1.035 630 V CB -0.832 30.887 31.823 -0.174 0.000 0.658 630 V HN 0.558 nan 8.190 nan 0.000 0.452 631 N N -0.367 118.250 118.700 -0.139 0.000 2.494 631 N HA -0.059 4.673 4.740 -0.013 0.000 0.182 631 N C 1.120 176.362 175.510 -0.448 0.000 1.076 631 N CA 0.782 53.656 53.050 -0.293 0.000 0.908 631 N CB -0.209 38.040 38.487 -0.396 0.000 0.967 631 N HN 0.678 nan 8.380 nan 0.000 0.449 632 H N -1.528 117.540 119.070 -0.003 0.000 2.674 632 H HA 0.208 4.757 4.556 -0.012 0.000 0.274 632 H C -0.555 174.783 175.328 0.018 0.000 1.121 632 H CA -0.488 55.560 56.048 -0.000 0.000 1.132 632 H CB 0.635 30.387 29.762 -0.016 0.000 1.606 632 H HN -0.016 nan 8.280 nan 0.000 0.558 633 D N 1.760 122.229 120.400 0.116 0.000 2.316 633 D HA 0.051 4.684 4.640 -0.013 0.000 0.245 633 D C -1.655 174.700 176.300 0.091 0.000 1.171 633 D CA -2.060 52.022 54.000 0.136 0.000 0.856 633 D CB 1.778 42.734 40.800 0.260 0.000 1.090 633 D HN 0.097 nan 8.370 nan 0.000 0.476 634 P HA -0.102 nan 4.420 nan 0.000 0.218 634 P C 1.559 178.877 177.300 0.030 0.000 1.149 634 P CA 0.334 63.458 63.100 0.041 0.000 0.817 634 P CB 0.428 32.148 31.700 0.032 0.000 0.785 635 V N -0.605 119.328 119.914 0.032 0.000 2.626 635 V HA -0.151 3.961 4.120 -0.013 0.000 0.252 635 V C 2.419 178.515 176.094 0.004 0.000 1.067 635 V CA 1.426 63.731 62.300 0.009 0.000 1.081 635 V CB -0.942 30.876 31.823 -0.009 0.000 0.686 635 V HN -0.017 nan 8.190 nan 0.000 0.468 636 V N -0.209 119.724 119.914 0.032 0.000 2.453 636 V HA 0.133 4.246 4.120 -0.013 0.000 0.247 636 V C 1.813 177.912 176.094 0.008 0.000 1.048 636 V CA 1.477 63.795 62.300 0.030 0.000 1.049 636 V CB -1.086 30.801 31.823 0.106 0.000 0.672 636 V HN 0.719 nan 8.190 nan 0.000 0.457 637 G N 1.657 110.465 108.800 0.013 0.000 2.556 637 G HA2 -0.365 3.587 3.960 -0.013 0.000 0.283 637 G HA3 -0.365 3.587 3.960 -0.013 0.000 0.283 637 G C 0.337 175.235 174.900 -0.004 0.000 1.177 637 G CA 0.434 45.536 45.100 0.003 0.000 0.978 637 G HN 0.669 nan 8.290 nan 0.000 0.554 638 D N 0.440 120.838 120.400 -0.004 0.000 2.427 638 D HA 0.181 4.813 4.640 -0.013 0.000 0.224 638 D C 1.762 178.052 176.300 -0.017 0.000 1.157 638 D CA -0.032 53.966 54.000 -0.004 0.000 0.828 638 D CB -0.110 40.698 40.800 0.013 0.000 0.974 638 D HN 0.606 nan 8.370 nan 0.000 0.498 639 R N -0.622 119.857 120.500 -0.035 0.000 2.200 639 R HA 0.204 4.536 4.340 -0.013 0.000 0.208 639 R C -0.005 176.249 176.300 -0.077 0.000 1.033 639 R CA 0.235 56.290 56.100 -0.075 0.000 1.000 639 R CB 0.331 30.566 30.300 -0.107 0.000 0.906 639 R HN 0.100 nan 8.270 nan 0.000 0.462 640 L N 0.615 121.810 121.223 -0.047 0.000 2.505 640 L HA 0.384 4.716 4.340 -0.013 0.000 0.266 640 L C -1.566 175.278 176.870 -0.042 0.000 0.954 640 L CA -0.496 54.316 54.840 -0.047 0.000 0.852 640 L CB 1.792 43.836 42.059 -0.025 0.000 1.282 640 L HN -0.178 nan 8.230 nan 0.000 0.403 641 R N 3.863 124.326 120.500 -0.062 0.000 2.628 641 R HA 0.781 5.113 4.340 -0.013 0.000 0.288 641 R C -1.628 174.620 176.300 -0.088 0.000 0.980 641 R CA -0.803 55.252 56.100 -0.075 0.000 0.891 641 R CB 2.437 32.693 30.300 -0.074 0.000 1.188 641 R HN 0.415 nan 8.270 nan 0.000 0.450 642 V N 4.882 124.744 119.914 -0.087 0.000 2.407 642 V HA 0.462 4.574 4.120 -0.013 0.000 0.291 642 V C -0.243 175.812 176.094 -0.065 0.000 1.018 642 V CA -0.746 61.506 62.300 -0.081 0.000 0.842 642 V CB 1.770 33.545 31.823 -0.081 0.000 0.996 642 V HN 0.488 nan 8.190 nan 0.000 0.426 643 I N 4.804 125.333 120.570 -0.067 0.000 2.465 643 I HA 0.424 4.586 4.170 -0.013 0.000 0.291 643 I C -0.595 175.509 176.117 -0.022 0.000 1.014 643 I CA -0.840 60.430 61.300 -0.051 0.000 1.093 643 I CB 1.781 39.724 38.000 -0.095 0.000 1.267 643 I HN 0.562 nan 8.210 nan 0.000 0.431 644 F N 6.782 126.669 119.950 -0.105 0.000 2.411 644 F HA 0.445 4.964 4.527 -0.012 0.000 0.355 644 F C -0.213 175.523 175.800 -0.107 0.000 1.117 644 F CA -0.473 57.467 58.000 -0.100 0.000 1.139 644 F CB 0.751 39.696 39.000 -0.091 0.000 1.120 644 F HN 0.253 nan 8.300 nan 0.000 0.493 645 L N 6.275 127.094 121.223 -0.674 0.000 2.342 645 L HA 0.218 4.550 4.340 -0.013 0.000 0.285 645 L C 0.322 176.943 176.870 -0.414 0.000 1.095 645 L CA -0.204 54.379 54.840 -0.427 0.000 0.843 645 L CB 0.520 42.422 42.059 -0.261 0.000 1.201 645 L HN 0.641 nan 8.230 nan 0.000 0.445 646 E N 3.788 123.889 120.200 -0.165 0.000 2.373 646 E HA -0.063 4.280 4.350 -0.013 0.000 0.267 646 E C 0.450 177.123 176.600 0.121 0.000 1.032 646 E CA -0.288 56.163 56.400 0.085 0.000 0.889 646 E CB 0.430 30.163 29.700 0.054 0.000 0.984 646 E HN 0.562 nan 8.360 nan 0.000 0.425 647 N N 2.456 121.284 118.700 0.214 0.000 2.740 647 N HA -0.281 4.451 4.740 -0.013 0.000 0.248 647 N C -1.513 174.098 175.510 0.168 0.000 1.062 647 N CA 0.548 53.716 53.050 0.197 0.000 0.704 647 N CB -1.672 36.944 38.487 0.214 0.000 0.968 647 N HN 0.498 nan 8.380 nan 0.000 0.547 648 Y N 1.548 121.865 120.300 0.029 0.000 2.721 648 Y HA 0.120 4.662 4.550 -0.013 0.000 0.329 648 Y C 1.167 177.093 175.900 0.043 0.000 1.211 648 Y CA 0.830 58.935 58.100 0.008 0.000 1.512 648 Y CB 0.276 38.708 38.460 -0.047 0.000 1.249 648 Y HN 0.370 nan 8.280 nan 0.000 0.549 649 R N 2.382 122.529 120.500 -0.588 0.000 2.756 649 R HA 0.424 4.757 4.340 -0.013 0.000 0.273 649 R C -0.552 175.425 176.300 -0.538 0.000 1.030 649 R CA -0.561 55.299 56.100 -0.399 0.000 0.887 649 R CB 0.262 30.516 30.300 -0.076 0.000 1.274 649 R HN 0.349 nan 8.270 nan 0.000 0.461 650 V N 1.106 120.743 119.914 -0.462 0.000 2.287 650 V HA -0.282 3.830 4.120 -0.013 0.000 0.248 650 V C 2.601 178.570 176.094 -0.208 0.000 1.053 650 V CA 2.834 64.912 62.300 -0.370 0.000 1.027 650 V CB -0.805 30.754 31.823 -0.440 0.000 0.646 650 V HN 0.922 nan 8.190 nan 0.000 0.447 651 S N 0.038 115.636 115.700 -0.169 0.000 2.399 651 S HA -0.180 4.282 4.470 -0.013 0.000 0.231 651 S C 1.934 176.480 174.600 -0.089 0.000 1.022 651 S CA 1.657 59.782 58.200 -0.124 0.000 0.983 651 S CB -0.529 62.624 63.200 -0.079 0.000 0.803 651 S HN 0.386 nan 8.310 nan 0.000 0.480 652 L N 2.002 123.184 121.223 -0.068 0.000 2.109 652 L HA 0.292 4.625 4.340 -0.013 0.000 0.207 652 L C 2.717 179.616 176.870 0.048 0.000 1.086 652 L CA 1.462 56.314 54.840 0.019 0.000 0.760 652 L CB -1.306 40.822 42.059 0.114 0.000 0.910 652 L HN 0.355 nan 8.230 nan 0.000 0.437 653 A N -0.715 122.103 122.820 -0.004 0.000 1.940 653 A HA -0.251 4.061 4.320 -0.013 0.000 0.219 653 A C 2.136 179.790 177.584 0.117 0.000 1.176 653 A CA 1.896 54.009 52.037 0.127 0.000 0.631 653 A CB -0.639 18.423 19.000 0.103 0.000 0.814 653 A HN 0.602 nan 8.150 nan 0.000 0.446 654 E N -0.478 119.764 120.200 0.070 0.000 2.265 654 E HA -0.163 4.180 4.350 -0.013 0.000 0.196 654 E C 1.888 178.459 176.600 -0.048 0.000 0.996 654 E CA 1.204 57.597 56.400 -0.012 0.000 0.832 654 E CB -0.045 29.552 29.700 -0.172 0.000 0.756 654 E HN 0.634 nan 8.360 nan 0.000 0.491 655 K N -0.033 120.331 120.400 -0.061 0.000 2.141 655 K HA 0.028 4.341 4.320 -0.013 0.000 0.202 655 K C 2.150 178.609 176.600 -0.235 0.000 1.045 655 K CA 0.438 56.688 56.287 -0.062 0.000 0.971 655 K CB 0.041 32.523 32.500 -0.030 0.000 0.795 655 K HN -0.043 nan 8.250 nan 0.000 0.459 656 V N 1.854 121.546 119.914 -0.369 0.000 2.488 656 V HA -0.118 3.995 4.120 -0.013 0.000 0.246 656 V C 1.900 177.767 176.094 -0.379 0.000 1.046 656 V CA 1.174 63.017 62.300 -0.761 0.000 1.053 656 V CB -0.145 31.347 31.823 -0.551 0.000 0.679 656 V HN 0.233 nan 8.190 nan 0.000 0.458 657 I N 0.709 121.113 120.570 -0.276 0.000 2.163 657 I HA -0.140 4.023 4.170 -0.013 0.000 0.243 657 I C -0.208 175.807 176.117 -0.171 0.000 1.085 657 I CA 1.693 62.761 61.300 -0.386 0.000 1.347 657 I CB -1.539 36.091 38.000 -0.617 0.000 1.044 657 I HN 0.365 nan 8.210 nan 0.000 0.408 658 P HA -0.138 nan 4.420 nan 0.000 0.219 658 P C 1.118 178.418 177.300 -0.001 0.000 1.146 658 P CA 1.408 64.489 63.100 -0.031 0.000 0.808 658 P CB 0.007 31.695 31.700 -0.019 0.000 0.779 659 A N -1.047 121.755 122.820 -0.030 0.000 2.178 659 A HA 0.390 4.703 4.320 -0.013 0.000 0.211 659 A C 1.243 178.919 177.584 0.153 0.000 1.157 659 A CA 0.279 52.346 52.037 0.050 0.000 0.780 659 A CB -0.818 18.207 19.000 0.043 0.000 0.828 659 A HN 0.211 nan 8.150 nan 0.000 0.476 660 A N 0.002 122.922 122.820 0.165 0.000 2.388 660 A HA 0.447 4.759 4.320 -0.013 0.000 0.257 660 A C 0.390 178.120 177.584 0.243 0.000 1.095 660 A CA -0.129 52.068 52.037 0.268 0.000 0.791 660 A CB 0.320 19.574 19.000 0.423 0.000 1.029 660 A HN 0.296 nan 8.150 nan 0.000 0.489 661 D N 0.506 121.048 120.400 0.237 0.000 2.323 661 D HA 0.111 4.743 4.640 -0.013 0.000 0.218 661 D C 0.077 176.593 176.300 0.360 0.000 0.973 661 D CA 0.793 54.988 54.000 0.325 0.000 0.890 661 D CB 0.293 41.210 40.800 0.194 0.000 1.011 661 D HN 0.365 nan 8.370 nan 0.000 0.499 662 L N 0.992 122.307 121.223 0.152 0.000 2.381 662 L HA 0.285 4.617 4.340 -0.013 0.000 0.274 662 L C -0.901 175.845 176.870 -0.206 0.000 0.988 662 L CA -0.317 54.540 54.840 0.029 0.000 0.824 662 L CB 2.169 44.225 42.059 -0.004 0.000 1.263 662 L HN -0.192 nan 8.230 nan 0.000 0.410 663 S N 4.208 119.699 115.700 -0.348 0.000 2.429 663 S HA 0.347 4.809 4.470 -0.013 0.000 0.302 663 S C -0.448 173.894 174.600 -0.430 0.000 1.115 663 S CA -0.647 57.109 58.200 -0.740 0.000 1.095 663 S CB 0.691 63.416 63.200 -0.792 0.000 0.987 663 S HN 0.563 nan 8.310 nan 0.000 0.474 664 E N 4.080 124.037 120.200 -0.406 0.000 2.081 664 E HA 0.226 4.568 4.350 -0.013 0.000 0.281 664 E C -0.598 175.903 176.600 -0.164 0.000 0.986 664 E CA -0.467 55.819 56.400 -0.190 0.000 0.796 664 E CB 1.105 30.719 29.700 -0.142 0.000 1.085 664 E HN 0.601 nan 8.360 nan 0.000 0.398 665 Q N 2.822 122.581 119.800 -0.068 0.000 2.907 665 Q HA 0.278 4.610 4.340 -0.013 0.000 0.262 665 Q C 0.587 176.582 176.000 -0.008 0.000 0.997 665 Q CA -0.134 55.640 55.803 -0.048 0.000 0.797 665 Q CB 0.262 28.984 28.738 -0.027 0.000 1.228 665 Q HN 0.616 nan 8.270 nan 0.000 0.466 666 I N -1.808 118.741 120.570 -0.034 0.000 3.707 666 I HA 0.270 4.432 4.170 -0.013 0.000 0.330 666 I C 0.413 176.486 176.117 -0.073 0.000 1.572 666 I CA -0.699 60.594 61.300 -0.011 0.000 1.104 666 I CB 0.554 38.552 38.000 -0.003 0.000 1.240 666 I HN 0.008 nan 8.210 nan 0.000 0.475 667 S N 0.451 116.105 115.700 -0.077 0.000 2.568 667 S HA 0.179 4.642 4.470 -0.013 0.000 0.282 667 S C 0.584 175.164 174.600 -0.032 0.000 1.338 667 S CA -0.249 57.923 58.200 -0.048 0.000 1.045 667 S CB 0.251 63.470 63.200 0.031 0.000 0.873 667 S HN 0.380 nan 8.310 nan 0.000 0.516 668 T N 2.849 117.414 114.554 0.017 0.000 2.908 668 T HA 0.370 4.713 4.350 -0.013 0.000 0.301 668 T C 0.774 175.482 174.700 0.012 0.000 1.019 668 T CA 0.262 62.382 62.100 0.032 0.000 1.152 668 T CB -0.012 68.945 68.868 0.149 0.000 0.966 668 T HN 1.025 nan 8.240 nan 0.000 0.540 669 A N 2.598 125.397 122.820 -0.035 0.000 2.567 669 A HA 0.457 4.770 4.320 -0.013 0.000 0.240 669 A C 1.639 179.217 177.584 -0.011 0.000 1.053 669 A CA 0.269 52.281 52.037 -0.041 0.000 0.755 669 A CB -0.878 18.087 19.000 -0.059 0.000 0.978 669 A HN 1.753 nan 8.150 nan 0.000 0.507 670 G N 1.305 110.097 108.800 -0.014 0.000 2.175 670 G HA2 -0.233 3.719 3.960 -0.013 0.000 0.244 670 G HA3 -0.233 3.719 3.960 -0.013 0.000 0.244 670 G C 0.816 175.703 174.900 -0.021 0.000 0.982 670 G CA 1.167 46.261 45.100 -0.009 0.000 0.641 670 G HN 2.028 nan 8.290 nan 0.000 0.527 671 T N -2.706 111.828 114.554 -0.033 0.000 2.999 671 T HA 0.420 4.763 4.350 -0.013 0.000 0.247 671 T C 0.696 175.234 174.700 -0.270 0.000 1.012 671 T CA 1.011 63.022 62.100 -0.149 0.000 1.048 671 T CB 0.604 69.418 68.868 -0.090 0.000 1.020 671 T HN 0.279 nan 8.240 nan 0.000 0.478 672 E N 1.553 121.728 120.200 -0.042 0.000 2.052 672 E HA 0.672 5.014 4.350 -0.013 0.000 0.283 672 E C 1.181 177.732 176.600 -0.082 0.000 1.071 672 E CA 0.091 56.508 56.400 0.029 0.000 0.851 672 E CB 0.830 30.606 29.700 0.128 0.000 1.066 672 E HN 0.349 nan 8.360 nan 0.000 0.396 673 A N 3.455 126.154 122.820 -0.202 0.000 1.884 673 A HA -0.229 4.083 4.320 -0.013 0.000 0.219 673 A C 2.008 179.470 177.584 -0.204 0.000 1.197 673 A CA 2.322 54.108 52.037 -0.419 0.000 0.637 673 A CB -0.356 18.152 19.000 -0.820 0.000 0.827 673 A HN 0.606 nan 8.150 nan 0.000 0.450 674 S N -3.757 111.880 115.700 -0.106 0.000 3.624 674 S HA 0.452 4.914 4.470 -0.013 0.000 0.244 674 S C 0.730 175.320 174.600 -0.016 0.000 1.115 674 S CA 1.457 59.641 58.200 -0.026 0.000 0.820 674 S CB -0.095 63.114 63.200 0.014 0.000 0.964 674 S HN 2.276 nan 8.310 nan 0.000 0.508 675 G N 0.433 109.229 108.800 -0.007 0.000 2.722 675 G HA2 -0.079 3.873 3.960 -0.013 0.000 0.686 675 G HA3 -0.079 3.873 3.960 -0.013 0.000 0.686 675 G C 0.254 175.137 174.900 -0.028 0.000 1.282 675 G CA 0.446 45.539 45.100 -0.012 0.000 0.817 675 G HN 1.269 nan 8.290 nan 0.000 0.605 676 T N -1.591 112.933 114.554 -0.051 0.000 3.010 676 T HA 0.378 4.720 4.350 -0.013 0.000 0.253 676 T C 2.424 177.025 174.700 -0.165 0.000 0.939 676 T CA 1.270 63.312 62.100 -0.097 0.000 0.910 676 T CB 0.211 69.015 68.868 -0.106 0.000 1.226 676 T HN 1.905 nan 8.240 nan 0.000 0.508 677 G N 3.260 111.985 108.800 -0.124 0.000 2.469 677 G HA2 -0.319 3.633 3.960 -0.013 0.000 0.219 677 G HA3 -0.319 3.633 3.960 -0.013 0.000 0.219 677 G C 1.473 176.413 174.900 0.065 0.000 1.150 677 G CA 1.309 46.353 45.100 -0.092 0.000 0.763 677 G HN 0.844 nan 8.290 nan 0.000 0.561 678 N N -0.068 118.663 118.700 0.053 0.000 2.060 678 N HA -0.134 4.598 4.740 -0.013 0.000 0.195 678 N C 1.458 176.974 175.510 0.010 0.000 1.028 678 N CA 0.758 53.842 53.050 0.057 0.000 0.861 678 N CB -0.355 38.120 38.487 -0.019 0.000 1.029 678 N HN 0.349 nan 8.380 nan 0.000 0.428 682 M N 0.303 119.983 119.600 0.135 0.000 2.108 682 M HA -0.187 4.285 4.480 -0.013 0.000 0.261 682 M C 2.022 178.369 176.300 0.078 0.000 1.066 682 M CA 1.905 57.252 55.300 0.078 0.000 1.107 682 M CB -0.124 32.512 32.600 0.060 0.000 1.356 682 M HN 0.314 nan 8.290 nan 0.000 0.406 683 L N 0.625 121.893 121.223 0.075 0.000 2.275 683 L HA -0.091 4.242 4.340 -0.013 0.000 0.215 683 L C 1.359 178.271 176.870 0.069 0.000 1.119 683 L CA 1.637 56.528 54.840 0.085 0.000 0.790 683 L CB -0.622 41.497 42.059 0.100 0.000 0.919 683 L HN 0.349 nan 8.230 nan 0.000 0.443 684 N N -0.369 118.365 118.700 0.056 0.000 2.235 684 N HA 0.171 4.904 4.740 -0.013 0.000 0.209 684 N C 0.837 176.382 175.510 0.060 0.000 1.122 684 N CA 0.788 53.866 53.050 0.046 0.000 0.845 684 N CB 0.616 39.110 38.487 0.012 0.000 1.004 684 N HN 0.386 nan 8.380 nan 0.000 0.499 685 G N 0.593 109.432 108.800 0.065 0.000 2.142 685 G HA2 -0.193 3.759 3.960 -0.013 0.000 0.225 685 G HA3 -0.193 3.759 3.960 -0.013 0.000 0.225 685 G C -0.012 174.952 174.900 0.107 0.000 1.015 685 G CA 0.131 45.268 45.100 0.061 0.000 0.716 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.312 122.584 122.820 0.127 0.000 2.312 686 A HA 0.884 5.196 4.320 -0.013 0.000 0.328 686 A C 0.478 178.061 177.584 -0.000 0.000 1.158 686 A CA -0.612 51.514 52.037 0.149 0.000 0.821 686 A CB 0.970 20.112 19.000 0.237 0.000 1.170 686 A HN 0.723 nan 8.150 nan 0.000 0.490 687 L N 0.701 121.886 121.223 -0.063 0.000 2.421 687 L HA 0.449 4.781 4.340 -0.013 0.000 0.263 687 L C 0.216 176.966 176.870 -0.200 0.000 1.122 687 L CA -0.348 54.355 54.840 -0.227 0.000 0.804 687 L CB 1.385 43.224 42.059 -0.367 0.000 1.150 687 L HN 0.680 nan 8.230 nan 0.000 0.457 688 T N 2.382 116.695 114.554 -0.402 0.000 2.779 688 T HA 0.453 4.796 4.350 -0.013 0.000 0.280 688 T C -0.411 174.172 174.700 -0.194 0.000 0.987 688 T CA -0.271 61.576 62.100 -0.422 0.000 0.966 688 T CB 1.539 69.954 68.868 -0.756 0.000 0.933 688 T HN 0.348 nan 8.240 nan 0.000 0.442 689 I N 2.995 123.548 120.570 -0.029 0.000 2.321 689 I HA 0.706 4.868 4.170 -0.013 0.000 0.291 689 I C 0.133 176.408 176.117 0.263 0.000 0.998 689 I CA 0.137 61.535 61.300 0.163 0.000 1.227 689 I CB 0.296 38.329 38.000 0.056 0.000 1.368 689 I HN 0.776 nan 8.210 nan 0.000 0.466 690 G N 4.011 113.051 108.800 0.400 0.000 2.646 690 G HA2 0.453 4.405 3.960 -0.013 0.000 0.291 690 G HA3 0.453 4.405 3.960 -0.013 0.000 0.291 690 G C -0.894 173.956 174.900 -0.084 0.000 1.445 690 G CA -0.444 44.795 45.100 0.232 0.000 0.814 690 G HN 0.595 nan 8.290 nan 0.000 0.495 691 T N -1.150 113.214 114.554 -0.316 0.000 2.849 691 T HA 0.502 4.844 4.350 -0.013 0.000 0.284 691 T C 0.749 175.336 174.700 -0.189 0.000 1.004 691 T CA -0.679 61.156 62.100 -0.442 0.000 1.021 691 T CB 1.089 69.709 68.868 -0.414 0.000 1.013 691 T HN 0.259 nan 8.240 nan 0.000 0.527 692 M N 2.836 122.332 119.600 -0.174 0.000 3.237 692 M HA 0.328 4.801 4.480 -0.013 0.000 0.266 692 M C -0.482 175.763 176.300 -0.091 0.000 1.456 692 M CA -0.066 55.165 55.300 -0.114 0.000 1.593 692 M CB -1.660 30.881 32.600 -0.099 0.000 1.129 692 M HN 0.724 nan 8.290 nan 0.000 0.547 693 D N 0.073 120.427 120.400 -0.078 0.000 2.671 693 D HA 0.663 5.295 4.640 -0.013 0.000 0.232 693 D C 0.707 176.986 176.300 -0.037 0.000 1.114 693 D CA 0.688 54.657 54.000 -0.052 0.000 0.858 693 D CB 1.773 42.544 40.800 -0.049 0.000 1.544 693 D HN 0.612 nan 8.370 nan 0.000 0.471 694 G N 1.939 110.727 108.800 -0.020 0.000 2.627 694 G HA2 -0.268 3.685 3.960 -0.013 0.000 0.312 694 G HA3 -0.268 3.685 3.960 -0.013 0.000 0.312 694 G C 1.073 175.966 174.900 -0.010 0.000 1.299 694 G CA 1.153 46.247 45.100 -0.010 0.000 0.989 694 G HN 1.055 nan 8.290 nan 0.000 0.547 695 A N -0.382 122.429 122.820 -0.015 0.000 2.168 695 A HA 0.069 4.381 4.320 -0.013 0.000 0.215 695 A C 2.132 179.656 177.584 -0.100 0.000 1.152 695 A CA 1.892 53.915 52.037 -0.022 0.000 0.716 695 A CB -0.471 18.509 19.000 -0.034 0.000 0.794 695 A HN 0.637 nan 8.150 nan 0.000 0.465 696 N N 0.585 119.230 118.700 -0.091 0.000 2.094 696 N HA -0.165 4.567 4.740 -0.013 0.000 0.191 696 N C 1.597 176.969 175.510 -0.231 0.000 1.023 696 N CA 1.644 54.627 53.050 -0.111 0.000 0.857 696 N CB -0.685 37.788 38.487 -0.024 0.000 1.013 696 N HN 0.287 nan 8.380 nan 0.000 0.426 697 V N 1.207 121.033 119.914 -0.146 0.000 2.287 697 V HA -0.226 3.887 4.120 -0.013 0.000 0.248 697 V C 1.980 177.995 176.094 -0.131 0.000 1.053 697 V CA 1.750 63.964 62.300 -0.144 0.000 1.027 697 V CB -0.479 31.299 31.823 -0.075 0.000 0.646 697 V HN 0.368 nan 8.190 nan 0.000 0.447 698 E N -0.734 119.445 120.200 -0.034 0.000 2.158 698 E HA -0.099 4.243 4.350 -0.013 0.000 0.191 698 E C 2.219 178.929 176.600 0.182 0.000 0.982 698 E CA 0.903 57.362 56.400 0.099 0.000 0.823 698 E CB -0.164 29.680 29.700 0.240 0.000 0.766 698 E HN 0.544 nan 8.360 nan 0.000 0.468 699 M N 0.529 120.121 119.600 -0.014 0.000 2.086 699 M HA -0.155 4.318 4.480 -0.013 0.000 0.261 699 M C 2.499 178.592 176.300 -0.346 0.000 1.067 699 M CA 1.599 56.820 55.300 -0.132 0.000 1.116 699 M CB -0.218 32.204 32.600 -0.298 0.000 1.348 699 M HN 0.138 nan 8.290 nan 0.000 0.407 700 A N -0.043 122.280 122.820 -0.829 0.000 1.933 700 A HA -0.220 4.093 4.320 -0.013 0.000 0.218 700 A C 1.990 179.392 177.584 -0.303 0.000 1.175 700 A CA 1.984 53.503 52.037 -0.864 0.000 0.628 700 A CB -0.808 17.674 19.000 -0.864 0.000 0.814 700 A HN 0.604 nan 8.150 nan 0.000 0.444 701 E N -0.366 119.720 120.200 -0.189 0.000 2.072 701 E HA -0.214 4.128 4.350 -0.013 0.000 0.191 701 E C 1.772 178.351 176.600 -0.035 0.000 0.985 701 E CA 1.244 57.593 56.400 -0.085 0.000 0.801 701 E CB -0.103 29.564 29.700 -0.056 0.000 0.750 701 E HN 0.533 nan 8.360 nan 0.000 0.452 702 E N 0.317 120.526 120.200 0.015 0.000 2.051 702 E HA -0.155 4.187 4.350 -0.013 0.000 0.192 702 E C 1.934 178.564 176.600 0.050 0.000 0.991 702 E CA 1.256 57.687 56.400 0.052 0.000 0.799 702 E CB -0.284 29.507 29.700 0.152 0.000 0.748 702 E HN 0.398 nan 8.360 nan 0.000 0.449 703 A N 0.331 123.188 122.820 0.062 0.000 2.021 703 A HA 0.299 4.611 4.320 -0.013 0.000 0.216 703 A C 1.089 178.694 177.584 0.036 0.000 1.163 703 A CA 1.200 53.285 52.037 0.081 0.000 0.676 703 A CB -0.094 19.015 19.000 0.182 0.000 0.818 703 A HN 0.278 nan 8.150 nan 0.000 0.453 704 G N -0.639 108.159 108.800 -0.003 0.000 3.055 704 G HA2 -0.087 3.866 3.960 -0.013 0.000 0.686 704 G HA3 -0.087 3.866 3.960 -0.013 0.000 0.686 704 G C -0.048 174.841 174.900 -0.019 0.000 1.087 704 G CA 0.006 45.095 45.100 -0.018 0.000 0.779 704 G HN 0.260 nan 8.290 nan 0.000 0.599 705 E N 0.620 120.795 120.200 -0.041 0.000 2.204 705 E HA -0.179 4.163 4.350 -0.013 0.000 0.195 705 E C 2.296 178.887 176.600 -0.015 0.000 0.990 705 E CA 1.266 57.648 56.400 -0.031 0.000 0.821 705 E CB 0.105 29.782 29.700 -0.039 0.000 0.750 705 E HN 0.787 nan 8.360 nan 0.000 0.477 706 E N 0.944 121.123 120.200 -0.036 0.000 2.338 706 E HA -0.150 4.192 4.350 -0.013 0.000 0.197 706 E C 0.807 177.326 176.600 -0.135 0.000 1.007 706 E CA 0.753 57.111 56.400 -0.071 0.000 0.849 706 E CB -0.089 29.580 29.700 -0.051 0.000 0.774 706 E HN 0.168 nan 8.360 nan 0.000 0.506 707 N N -0.266 118.381 118.700 -0.087 0.000 2.238 707 N HA 0.170 4.903 4.740 -0.013 0.000 0.222 707 N C -1.179 174.247 175.510 -0.139 0.000 1.133 707 N CA 0.015 52.983 53.050 -0.138 0.000 0.854 707 N CB 0.241 38.699 38.487 -0.049 0.000 1.041 707 N HN 0.040 nan 8.380 nan 0.000 0.510 708 F N -0.391 119.345 119.950 -0.356 0.000 2.588 708 F HA 0.402 4.920 4.527 -0.014 0.000 0.310 708 F C -0.878 174.705 175.800 -0.362 0.000 1.082 708 F CA -1.065 56.764 58.000 -0.285 0.000 0.929 708 F CB 1.366 40.290 39.000 -0.127 0.000 1.254 708 F HN -0.218 nan 8.300 nan 0.000 0.455 709 F N 5.389 125.349 119.950 0.018 0.000 2.329 709 F HA 0.432 4.952 4.527 -0.012 0.000 0.362 709 F C -0.077 175.864 175.800 0.236 0.000 1.113 709 F CA -0.414 57.638 58.000 0.086 0.000 1.212 709 F CB -0.005 38.992 39.000 -0.005 0.000 1.509 709 F HN 0.074 nan 8.300 nan 0.000 0.546 710 I N 3.980 124.769 120.570 0.364 0.000 2.396 710 I HA 0.397 4.559 4.170 -0.013 0.000 0.292 710 I C -0.278 176.039 176.117 0.333 0.000 0.999 710 I CA -0.659 60.818 61.300 0.295 0.000 1.310 710 I CB 0.949 39.041 38.000 0.153 0.000 1.404 710 I HN 0.342 nan 8.210 nan 0.000 0.496 711 F N 3.413 123.436 119.950 0.121 0.000 2.685 711 F HA 0.927 5.446 4.527 -0.013 0.000 0.315 711 F C -0.044 175.799 175.800 0.072 0.000 1.126 711 F CA -0.611 57.448 58.000 0.099 0.000 0.950 711 F CB 1.030 40.102 39.000 0.120 0.000 1.360 711 F HN 0.775 nan 8.300 nan 0.000 0.469 712 G N 1.053 109.909 108.800 0.093 0.000 2.685 712 G HA2 -0.057 3.895 3.960 -0.013 0.000 0.387 712 G HA3 -0.057 3.895 3.960 -0.013 0.000 0.387 712 G C -0.959 173.911 174.900 -0.049 0.000 1.324 712 G CA -0.661 44.434 45.100 -0.009 0.000 0.878 712 G HN 0.953 nan 8.290 nan 0.000 0.527 713 M N 0.947 120.528 119.600 -0.032 0.000 2.248 713 M HA 0.216 4.689 4.480 -0.013 0.000 0.345 713 M C 1.199 177.464 176.300 -0.058 0.000 1.243 713 M CA 0.003 55.292 55.300 -0.017 0.000 1.090 713 M CB 0.313 32.912 32.600 -0.002 0.000 1.683 713 M HN 0.516 nan 8.290 nan 0.000 0.450 714 R N 1.844 122.323 120.500 -0.034 0.000 2.546 714 R HA 0.238 4.570 4.340 -0.013 0.000 0.266 714 R C 1.228 177.511 176.300 -0.029 0.000 1.086 714 R CA -0.538 55.537 56.100 -0.041 0.000 1.160 714 R CB -0.087 30.195 30.300 -0.029 0.000 1.138 714 R HN 0.578 nan 8.270 nan 0.000 0.567 715 V N 1.513 121.409 119.914 -0.031 0.000 2.317 715 V HA -0.295 3.817 4.120 -0.013 0.000 0.251 715 V C 1.898 177.984 176.094 -0.014 0.000 1.065 715 V CA 2.139 64.426 62.300 -0.023 0.000 1.049 715 V CB -0.499 31.309 31.823 -0.025 0.000 0.651 715 V HN 0.633 nan 8.190 nan 0.000 0.450 716 E N 0.120 120.314 120.200 -0.011 0.000 2.110 716 E HA -0.183 4.159 4.350 -0.013 0.000 0.193 716 E C 1.969 178.574 176.600 0.009 0.000 0.988 716 E CA 1.408 57.807 56.400 -0.002 0.000 0.804 716 E CB -0.373 29.326 29.700 -0.002 0.000 0.745 716 E HN 0.640 nan 8.360 nan 0.000 0.458 717 D N -0.148 120.259 120.400 0.012 0.000 2.144 717 D HA -0.099 4.534 4.640 -0.013 0.000 0.200 717 D C 2.005 178.323 176.300 0.030 0.000 0.978 717 D CA 0.849 54.866 54.000 0.029 0.000 0.833 717 D CB -0.129 40.691 40.800 0.034 0.000 0.961 717 D HN 0.064 nan 8.370 nan 0.000 0.470 718 V N 1.901 121.821 119.914 0.010 0.000 2.295 718 V HA -0.221 3.891 4.120 -0.013 0.000 0.246 718 V C 1.997 178.095 176.094 0.007 0.000 1.049 718 V CA 1.729 64.029 62.300 -0.001 0.000 1.024 718 V CB -0.434 31.379 31.823 -0.016 0.000 0.648 718 V HN 0.027 nan 8.190 nan 0.000 0.447 719 D N -0.168 120.236 120.400 0.007 0.000 2.123 719 D HA -0.147 4.485 4.640 -0.013 0.000 0.196 719 D C 2.424 178.738 176.300 0.023 0.000 0.992 719 D CA 1.228 55.233 54.000 0.009 0.000 0.833 719 D CB -0.282 40.519 40.800 0.002 0.000 0.954 719 D HN 0.353 nan 8.370 nan 0.000 0.455 720 R N 0.124 120.642 120.500 0.030 0.000 2.083 720 R HA -0.065 4.267 4.340 -0.013 0.000 0.237 720 R C 2.519 178.855 176.300 0.061 0.000 1.137 720 R CA 0.561 56.687 56.100 0.042 0.000 0.951 720 R CB -0.476 29.851 30.300 0.046 0.000 0.851 720 R HN 0.231 nan 8.270 nan 0.000 0.434 721 L N 0.789 122.058 121.223 0.076 0.000 2.046 721 L HA -0.209 4.124 4.340 -0.013 0.000 0.208 721 L C 1.593 178.530 176.870 0.112 0.000 1.077 721 L CA 1.392 56.304 54.840 0.119 0.000 0.747 721 L CB -0.322 41.822 42.059 0.142 0.000 0.896 721 L HN 0.211 nan 8.230 nan 0.000 0.432 722 D N -0.544 119.898 120.400 0.069 0.000 2.144 722 D HA -0.207 4.426 4.640 -0.013 0.000 0.199 722 D C 2.219 178.552 176.300 0.055 0.000 0.984 722 D CA 1.095 55.129 54.000 0.056 0.000 0.834 722 D CB 0.004 40.817 40.800 0.022 0.000 0.955 722 D HN 0.439 nan 8.370 nan 0.000 0.465 723 Q N -0.061 119.768 119.800 0.047 0.000 2.046 723 Q HA -0.127 4.205 4.340 -0.013 0.000 0.200 723 Q C 2.174 178.202 176.000 0.046 0.000 0.975 723 Q CA 1.227 57.053 55.803 0.039 0.000 0.836 723 Q CB -0.029 28.728 28.738 0.032 0.000 0.896 723 Q HN 0.327 nan 8.270 nan 0.000 0.428 724 R N -0.344 120.190 120.500 0.057 0.000 2.240 724 R HA 0.194 4.526 4.340 -0.013 0.000 0.203 724 R C 0.201 176.540 176.300 0.066 0.000 1.011 724 R CA 0.721 56.855 56.100 0.056 0.000 1.007 724 R CB 0.233 30.566 30.300 0.056 0.000 0.911 724 R HN 0.088 nan 8.270 nan 0.000 0.468 725 G N 0.634 109.487 108.800 0.089 0.000 3.067 725 G HA2 -0.250 3.702 3.960 -0.013 0.000 0.686 725 G HA3 -0.250 3.702 3.960 -0.013 0.000 0.686 725 G C -1.502 173.496 174.900 0.164 0.000 1.119 725 G CA -0.390 44.774 45.100 0.106 0.000 0.790 725 G HN 0.306 nan 8.290 nan 0.000 0.605 726 Y N 2.962 123.296 120.300 0.057 0.000 2.404 726 Y HA 0.612 5.154 4.550 -0.013 0.000 0.344 726 Y C 0.235 176.190 175.900 0.092 0.000 0.995 726 Y CA -1.261 56.892 58.100 0.088 0.000 1.201 726 Y CB 1.234 39.729 38.460 0.059 0.000 1.151 726 Y HN 0.638 nan 8.280 nan 0.000 0.517 727 N N 4.850 123.356 118.700 -0.323 0.000 2.626 727 N HA 0.349 5.081 4.740 -0.013 0.000 0.242 727 N C 0.280 175.548 175.510 -0.404 0.000 1.005 727 N CA 0.249 53.106 53.050 -0.322 0.000 0.905 727 N CB 1.166 39.584 38.487 -0.116 0.000 1.128 727 N HN 0.776 nan 8.380 nan 0.000 0.512 728 A N 2.805 125.278 122.820 -0.579 0.000 1.972 728 A HA -0.198 4.115 4.320 -0.013 0.000 0.219 728 A C 1.883 179.591 177.584 0.206 0.000 1.169 728 A CA 1.499 53.425 52.037 -0.185 0.000 0.635 728 A CB -0.480 18.340 19.000 -0.300 0.000 0.810 728 A HN 0.713 nan 8.150 nan 0.000 0.446 729 Q N 0.204 120.020 119.800 0.027 0.000 2.152 729 Q HA -0.241 4.091 4.340 -0.013 0.000 0.206 729 Q C 1.898 177.972 176.000 0.122 0.000 0.985 729 Q CA 2.306 58.148 55.803 0.065 0.000 0.863 729 Q CB -0.357 28.372 28.738 -0.014 0.000 0.904 729 Q HN 0.777 nan 8.270 nan 0.000 0.422 730 E N -1.419 118.792 120.200 0.020 0.000 2.097 730 E HA -0.247 4.096 4.350 -0.013 0.000 0.196 730 E C 1.555 178.082 176.600 -0.121 0.000 1.000 730 E CA 1.513 57.852 56.400 -0.101 0.000 0.804 730 E CB -0.205 29.338 29.700 -0.262 0.000 0.740 730 E HN 0.576 nan 8.360 nan 0.000 0.454 731 Y N -1.034 119.330 120.300 0.107 0.000 2.163 731 Y HA -0.209 4.333 4.550 -0.013 0.000 0.288 731 Y C 2.240 178.134 175.900 -0.009 0.000 1.136 731 Y CA 1.575 59.725 58.100 0.085 0.000 1.147 731 Y CB -0.822 37.745 38.460 0.179 0.000 0.987 731 Y HN 0.226 nan 8.280 nan 0.000 0.509 732 Y N 1.366 121.689 120.300 0.039 0.000 2.151 732 Y HA -0.293 4.249 4.550 -0.013 0.000 0.284 732 Y C 1.817 177.681 175.900 -0.060 0.000 1.166 732 Y CA 1.943 59.989 58.100 -0.090 0.000 1.163 732 Y CB -0.401 38.058 38.460 -0.002 0.000 0.974 732 Y HN 0.095 nan 8.280 nan 0.000 0.511 733 D N -0.375 120.104 120.400 0.132 0.000 2.183 733 D HA -0.080 4.552 4.640 -0.013 0.000 0.203 733 D C 1.965 178.234 176.300 -0.052 0.000 0.969 733 D CA 1.219 55.241 54.000 0.036 0.000 0.842 733 D CB -0.130 40.714 40.800 0.074 0.000 0.957 733 D HN 0.436 nan 8.370 nan 0.000 0.484 734 R N -0.485 119.987 120.500 -0.047 0.000 2.290 734 R HA 0.299 4.631 4.340 -0.013 0.000 0.197 734 R C 0.263 176.540 176.300 -0.038 0.000 0.913 734 R CA 0.125 56.199 56.100 -0.043 0.000 1.040 734 R CB 0.954 31.228 30.300 -0.043 0.000 0.992 734 R HN 0.097 nan 8.270 nan 0.000 0.500 735 I N 1.326 121.854 120.570 -0.069 0.000 2.437 735 I HA 0.235 4.397 4.170 -0.013 0.000 0.279 735 I C -2.037 173.992 176.117 -0.147 0.000 1.028 735 I CA -2.323 58.944 61.300 -0.056 0.000 1.142 735 I CB 2.133 40.137 38.000 0.007 0.000 1.266 735 I HN -0.268 nan 8.210 nan 0.000 0.461 736 P HA -0.145 nan 4.420 nan 0.000 0.216 736 P C 1.198 178.411 177.300 -0.146 0.000 1.150 736 P CA 1.319 64.332 63.100 -0.144 0.000 0.837 736 P CB 0.321 31.967 31.700 -0.090 0.000 0.786 737 E N -0.973 119.178 120.200 -0.082 0.000 2.106 737 E HA -0.158 4.184 4.350 -0.013 0.000 0.192 737 E C 1.860 178.376 176.600 -0.140 0.000 0.984 737 E CA 0.681 57.050 56.400 -0.051 0.000 0.806 737 E CB -0.576 29.162 29.700 0.064 0.000 0.750 737 E HN 0.119 nan 8.360 nan 0.000 0.458 738 L N 1.263 122.318 121.223 -0.279 0.000 2.056 738 L HA -0.143 4.189 4.340 -0.013 0.000 0.207 738 L C 2.398 179.015 176.870 -0.421 0.000 1.078 738 L CA 1.615 56.128 54.840 -0.545 0.000 0.749 738 L CB -0.288 41.302 42.059 -0.781 0.000 0.901 738 L HN -0.081 nan 8.230 nan 0.000 0.433 739 R N -0.844 119.385 120.500 -0.452 0.000 2.083 739 R HA -0.253 4.079 4.340 -0.013 0.000 0.237 739 R C 2.401 178.546 176.300 -0.259 0.000 1.137 739 R CA 2.057 57.816 56.100 -0.568 0.000 0.951 739 R CB -0.381 29.506 30.300 -0.688 0.000 0.851 739 R HN 0.602 nan 8.270 nan 0.000 0.434 740 Q N 0.438 120.120 119.800 -0.197 0.000 2.061 740 Q HA -0.201 4.131 4.340 -0.013 0.000 0.204 740 Q C 2.093 178.051 176.000 -0.070 0.000 0.984 740 Q CA 2.170 57.901 55.803 -0.121 0.000 0.846 740 Q CB -0.145 28.524 28.738 -0.116 0.000 0.902 740 Q HN 0.486 nan 8.270 nan 0.000 0.421 741 I N 0.595 121.122 120.570 -0.071 0.000 2.179 741 I HA -0.294 3.868 4.170 -0.013 0.000 0.242 741 I C 2.144 178.294 176.117 0.055 0.000 1.088 741 I CA 0.705 62.005 61.300 -0.000 0.000 1.357 741 I CB -0.349 37.622 38.000 -0.047 0.000 1.051 741 I HN 0.317 nan 8.210 nan 0.000 0.409 742 I N 0.832 121.430 120.570 0.048 0.000 2.286 742 I HA -0.248 3.915 4.170 -0.013 0.000 0.248 742 I C 2.445 178.664 176.117 0.170 0.000 1.115 742 I CA 1.677 63.070 61.300 0.155 0.000 1.392 742 I CB -1.297 36.878 38.000 0.291 0.000 1.065 742 I HN 0.356 nan 8.210 nan 0.000 0.418 743 E N 0.267 120.546 120.200 0.132 0.000 2.106 743 E HA -0.215 4.127 4.350 -0.013 0.000 0.192 743 E C 2.172 178.839 176.600 0.111 0.000 0.984 743 E CA 0.804 57.274 56.400 0.116 0.000 0.806 743 E CB -0.083 29.656 29.700 0.065 0.000 0.750 743 E HN 0.584 nan 8.360 nan 0.000 0.458 744 Q N 0.499 120.356 119.800 0.095 0.000 2.050 744 Q HA -0.133 4.199 4.340 -0.013 0.000 0.202 744 Q C 2.371 178.571 176.000 0.332 0.000 0.980 744 Q CA 1.013 56.902 55.803 0.144 0.000 0.840 744 Q CB -0.065 28.716 28.738 0.071 0.000 0.898 744 Q HN 0.294 nan 8.270 nan 0.000 0.424 745 L N 0.073 121.493 121.223 0.328 0.000 1.989 745 L HA -0.220 4.112 4.340 -0.013 0.000 0.211 745 L C 2.480 179.535 176.870 0.308 0.000 1.071 745 L CA 1.163 56.203 54.840 0.333 0.000 0.749 745 L CB -0.488 41.680 42.059 0.183 0.000 0.890 745 L HN 0.162 nan 8.230 nan 0.000 0.431 746 S N -0.234 115.603 115.700 0.227 0.000 2.368 746 S HA -0.163 4.300 4.470 -0.013 0.000 0.225 746 S C 2.089 176.793 174.600 0.173 0.000 1.030 746 S CA 1.577 59.889 58.200 0.187 0.000 0.999 746 S CB -0.283 63.006 63.200 0.149 0.000 0.844 746 S HN 0.617 nan 8.310 nan 0.000 0.459 747 S N 0.435 116.238 115.700 0.172 0.000 2.522 747 S HA 0.309 4.771 4.470 -0.013 0.000 0.227 747 S C 1.434 176.127 174.600 0.155 0.000 0.986 747 S CA 0.731 59.018 58.200 0.144 0.000 0.929 747 S CB -0.096 63.180 63.200 0.127 0.000 0.769 747 S HN 0.865 nan 8.310 nan 0.000 0.529 748 G N 0.489 109.414 108.800 0.209 0.000 2.131 748 G HA2 -0.261 3.691 3.960 -0.013 0.000 0.201 748 G HA3 -0.261 3.691 3.960 -0.013 0.000 0.201 748 G C 0.157 175.158 174.900 0.168 0.000 1.000 748 G CA 0.090 45.304 45.100 0.190 0.000 0.680 748 G HN 0.488 nan 8.290 nan 0.000 0.514 749 F N 0.320 120.286 119.950 0.027 0.000 2.202 749 F HA 0.188 4.707 4.527 -0.013 0.000 0.301 749 F C 1.839 177.451 175.800 -0.313 0.000 1.082 749 F CA 1.876 59.769 58.000 -0.178 0.000 1.313 749 F CB -0.051 38.768 39.000 -0.302 0.000 1.024 749 F HN 0.184 nan 8.300 nan 0.000 0.495 750 F N -0.427 119.620 119.950 0.162 0.000 2.664 750 F HA 0.208 4.728 4.527 -0.013 0.000 0.303 750 F C 0.572 176.466 175.800 0.157 0.000 1.092 750 F CA 0.250 58.306 58.000 0.093 0.000 1.305 750 F CB -0.122 38.950 39.000 0.120 0.000 1.054 750 F HN -0.040 nan 8.300 nan 0.000 0.565 751 S N -1.792 114.043 115.700 0.226 0.000 2.564 751 S HA 0.302 4.764 4.470 -0.013 0.000 0.141 751 S C -2.515 172.101 174.600 0.027 0.000 1.474 751 S CA -0.971 57.292 58.200 0.106 0.000 1.236 751 S CB 0.905 64.130 63.200 0.041 0.000 1.481 751 S HN -0.178 nan 8.310 nan 0.000 0.397 752 P HA -0.016 nan 4.420 nan 0.000 0.220 752 P C 1.092 178.381 177.300 -0.019 0.000 1.148 752 P CA 1.022 64.099 63.100 -0.039 0.000 0.803 752 P CB 0.132 31.781 31.700 -0.084 0.000 0.782 753 K N -0.920 119.469 120.400 -0.018 0.000 2.186 753 K HA 0.021 4.334 4.320 -0.013 0.000 0.202 753 K C 0.765 177.361 176.600 -0.006 0.000 1.052 753 K CA 0.828 57.108 56.287 -0.011 0.000 0.965 753 K CB 0.043 32.537 32.500 -0.010 0.000 0.746 753 K HN 0.231 nan 8.250 nan 0.000 0.457 754 Q N 0.228 120.022 119.800 -0.010 0.000 2.700 754 Q HA 0.149 4.481 4.340 -0.013 0.000 0.249 754 Q C -2.289 173.703 176.000 -0.013 0.000 1.033 754 Q CA -1.703 54.090 55.803 -0.016 0.000 0.804 754 Q CB 1.562 30.281 28.738 -0.031 0.000 1.164 754 Q HN -0.056 nan 8.270 nan 0.000 0.500 755 P HA -0.203 nan 4.420 nan 0.000 0.219 755 P C 0.489 177.825 177.300 0.059 0.000 1.146 755 P CA 1.324 64.452 63.100 0.046 0.000 0.808 755 P CB 0.242 31.970 31.700 0.046 0.000 0.779 756 D N -1.517 118.901 120.400 0.030 0.000 2.340 756 D HA -0.000 4.632 4.640 -0.013 0.000 0.217 756 D C 1.624 177.925 176.300 0.002 0.000 1.081 756 D CA -0.228 53.797 54.000 0.041 0.000 0.842 756 D CB -0.758 40.065 40.800 0.039 0.000 0.934 756 D HN 0.037 nan 8.370 nan 0.000 0.511 757 L N -0.097 121.063 121.223 -0.104 0.000 2.043 757 L HA -0.106 4.227 4.340 -0.013 0.000 0.212 757 L C 1.100 177.778 176.870 -0.321 0.000 1.075 757 L CA 1.628 56.291 54.840 -0.295 0.000 0.752 757 L CB -0.517 41.184 42.059 -0.597 0.000 0.891 757 L HN -0.078 nan 8.230 nan 0.000 0.432 758 F N -0.517 119.488 119.950 0.093 0.000 2.639 758 F HA 0.157 4.677 4.527 -0.012 0.000 0.300 758 F C 1.858 177.709 175.800 0.085 0.000 1.109 758 F CA 0.034 58.077 58.000 0.073 0.000 1.335 758 F CB -0.726 38.305 39.000 0.053 0.000 1.014 758 F HN 0.150 nan 8.300 nan 0.000 0.537 759 K N -0.495 120.025 120.400 0.200 0.000 2.103 759 K HA -0.184 4.128 4.320 -0.013 0.000 0.207 759 K C 1.102 177.803 176.600 0.169 0.000 1.048 759 K CA 1.983 58.370 56.287 0.167 0.000 0.930 759 K CB -0.305 32.268 32.500 0.123 0.000 0.716 759 K HN 0.019 nan 8.250 nan 0.000 0.444 760 D N 1.301 121.810 120.400 0.182 0.000 2.123 760 D HA -0.108 4.524 4.640 -0.013 0.000 0.196 760 D C 1.999 178.404 176.300 0.174 0.000 0.992 760 D CA 1.205 55.320 54.000 0.192 0.000 0.833 760 D CB -0.152 40.799 40.800 0.251 0.000 0.954 760 D HN 0.294 nan 8.370 nan 0.000 0.455 761 I N 0.337 121.010 120.570 0.173 0.000 2.179 761 I HA -0.227 3.936 4.170 -0.013 0.000 0.242 761 I C 2.409 178.585 176.117 0.099 0.000 1.088 761 I CA 0.610 61.983 61.300 0.122 0.000 1.357 761 I CB -0.204 37.861 38.000 0.108 0.000 1.051 761 I HN -0.103 nan 8.210 nan 0.000 0.409 762 V N 0.966 120.955 119.914 0.124 0.000 2.332 762 V HA -0.299 3.813 4.120 -0.013 0.000 0.248 762 V C 2.241 178.364 176.094 0.047 0.000 1.055 762 V CA 1.932 64.290 62.300 0.098 0.000 1.038 762 V CB -0.879 31.018 31.823 0.124 0.000 0.651 762 V HN 0.472 nan 8.190 nan 0.000 0.450 763 N N -0.390 118.371 118.700 0.102 0.000 2.120 763 N HA -0.185 4.548 4.740 -0.013 0.000 0.188 763 N C 1.887 177.468 175.510 0.117 0.000 1.024 763 N CA 1.759 54.897 53.050 0.146 0.000 0.852 763 N CB -0.219 38.406 38.487 0.230 0.000 1.003 763 N HN 0.365 nan 8.380 nan 0.000 0.424 764 M N 0.705 120.388 119.600 0.138 0.000 2.086 764 M HA -0.142 4.330 4.480 -0.013 0.000 0.261 764 M C 1.708 177.999 176.300 -0.015 0.000 1.067 764 M CA 1.202 56.586 55.300 0.140 0.000 1.116 764 M CB -0.537 32.148 32.600 0.141 0.000 1.348 764 M HN 0.017 nan 8.290 nan 0.000 0.407 765 L N 0.703 121.867 121.223 -0.099 0.000 2.042 765 L HA -0.219 4.114 4.340 -0.013 0.000 0.210 765 L C 2.476 179.054 176.870 -0.488 0.000 1.076 765 L CA 1.676 56.321 54.840 -0.325 0.000 0.749 765 L CB -1.201 40.693 42.059 -0.275 0.000 0.893 765 L HN 0.347 nan 8.230 nan 0.000 0.432 766 M N -1.767 117.598 119.600 -0.392 0.000 2.200 766 M HA -0.090 4.382 4.480 -0.013 0.000 0.265 766 M C 1.826 177.693 176.300 -0.723 0.000 1.066 766 M CA 1.502 56.456 55.300 -0.576 0.000 1.127 766 M CB -0.825 31.323 32.600 -0.753 0.000 1.379 766 M HN 0.350 nan 8.290 nan 0.000 0.420 767 H N -2.645 116.252 119.070 -0.288 0.000 3.205 767 H HA 0.262 4.810 4.556 -0.013 0.000 0.252 767 H C 0.377 175.344 175.328 -0.601 0.000 1.015 767 H CA 0.392 56.130 56.048 -0.517 0.000 1.192 767 H CB 0.695 29.993 29.762 -0.774 0.000 1.474 767 H HN 0.413 nan 8.280 nan 0.000 0.484 768 H N 0.365 119.486 119.070 0.086 0.000 2.767 768 H HA 0.140 4.688 4.556 -0.013 0.000 0.235 768 H C -0.583 174.766 175.328 0.034 0.000 1.256 768 H CA -0.233 55.856 56.048 0.069 0.000 0.957 768 H CB 1.015 30.823 29.762 0.077 0.000 2.117 768 H HN 0.130 nan 8.280 nan 0.000 0.602 769 D N 1.185 121.644 120.400 0.098 0.000 2.411 769 D HA 0.118 4.750 4.640 -0.013 0.000 0.225 769 D C 1.226 177.481 176.300 -0.075 0.000 1.156 769 D CA -0.293 53.730 54.000 0.039 0.000 0.874 769 D CB 0.584 41.388 40.800 0.006 0.000 1.034 769 D HN 0.146 nan 8.370 nan 0.000 0.502 770 R N 2.243 122.597 120.500 -0.244 0.000 2.193 770 R HA -0.068 4.264 4.340 -0.013 0.000 0.229 770 R C 0.585 176.409 176.300 -0.793 0.000 1.110 770 R CA 0.967 56.701 56.100 -0.610 0.000 0.988 770 R CB 0.082 29.771 30.300 -1.018 0.000 0.871 770 R HN 0.420 nan 8.270 nan 0.000 0.458 771 F N 0.162 120.078 119.950 -0.057 0.000 2.654 771 F HA 0.271 4.790 4.527 -0.013 0.000 0.303 771 F C 0.061 175.748 175.800 -0.189 0.000 1.099 771 F CA -0.660 57.294 58.000 -0.076 0.000 1.270 771 F CB 0.250 39.269 39.000 0.033 0.000 1.024 771 F HN -0.247 nan 8.300 nan 0.000 0.548 772 K N -0.433 119.787 120.400 -0.300 0.000 3.148 772 K HA -0.180 4.132 4.320 -0.013 0.000 0.267 772 K C 1.004 177.487 176.600 -0.194 0.000 0.996 772 K CA 0.229 56.152 56.287 -0.606 0.000 0.737 772 K CB -1.923 30.152 32.500 -0.708 0.000 1.308 772 K HN 0.213 nan 8.250 nan 0.000 0.470 773 V N -0.070 119.810 119.914 -0.056 0.000 2.282 773 V HA -0.299 3.813 4.120 -0.013 0.000 0.249 773 V C 2.053 178.288 176.094 0.234 0.000 1.057 773 V CA 2.246 64.591 62.300 0.076 0.000 1.032 773 V CB -0.491 31.378 31.823 0.076 0.000 0.645 773 V HN 0.389 nan 8.190 nan 0.000 0.447 774 F N 0.770 120.730 119.950 0.017 0.000 2.171 774 F HA -0.105 4.414 4.527 -0.013 0.000 0.300 774 F C 2.483 178.082 175.800 -0.335 0.000 1.090 774 F CA 0.868 58.818 58.000 -0.083 0.000 1.293 774 F CB -1.581 37.378 39.000 -0.067 0.000 1.013 774 F HN 0.165 nan 8.300 nan 0.000 0.486 775 A N -0.482 122.188 122.820 -0.250 0.000 2.019 775 A HA -0.171 4.141 4.320 -0.013 0.000 0.219 775 A C 1.711 179.294 177.584 -0.002 0.000 1.164 775 A CA 1.965 53.780 52.037 -0.370 0.000 0.644 775 A CB -0.548 18.371 19.000 -0.135 0.000 0.805 775 A HN 0.232 nan 8.150 nan 0.000 0.449 776 D N -2.783 117.676 120.400 0.098 0.000 2.369 776 D HA 0.083 4.715 4.640 -0.013 0.000 0.211 776 D C 1.173 177.640 176.300 0.278 0.000 1.077 776 D CA 0.001 54.135 54.000 0.223 0.000 0.842 776 D CB -0.116 40.835 40.800 0.252 0.000 0.947 776 D HN 0.577 nan 8.370 nan 0.000 0.509 777 Y N 2.153 122.537 120.300 0.141 0.000 2.097 777 Y HA -0.212 4.331 4.550 -0.012 0.000 0.282 777 Y C 2.029 178.014 175.900 0.140 0.000 1.152 777 Y CA 1.862 60.053 58.100 0.153 0.000 1.136 777 Y CB 0.130 38.651 38.460 0.102 0.000 0.975 777 Y HN -0.100 nan 8.280 nan 0.000 0.498 778 E N -0.048 120.207 120.200 0.091 0.000 2.051 778 E HA -0.236 4.106 4.350 -0.013 0.000 0.192 778 E C 2.194 178.761 176.600 -0.055 0.000 0.991 778 E CA 1.499 57.885 56.400 -0.024 0.000 0.799 778 E CB -0.189 29.598 29.700 0.145 0.000 0.748 778 E HN 0.630 nan 8.360 nan 0.000 0.449 779 E N -0.098 120.147 120.200 0.074 0.000 2.110 779 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 779 E C 1.958 178.549 176.600 -0.015 0.000 0.988 779 E CA 0.873 57.341 56.400 0.113 0.000 0.804 779 E CB -0.153 29.712 29.700 0.276 0.000 0.745 779 E HN 0.258 nan 8.360 nan 0.000 0.458 780 Y N 1.336 121.436 120.300 -0.333 0.000 2.114 780 Y HA -0.234 4.309 4.550 -0.013 0.000 0.284 780 Y C 2.187 177.697 175.900 -0.651 0.000 1.143 780 Y CA 1.036 58.615 58.100 -0.868 0.000 1.135 780 Y CB -0.581 37.415 38.460 -0.772 0.000 0.980 780 Y HN -0.206 nan 8.280 nan 0.000 0.499 781 V N 0.430 119.993 119.914 -0.584 0.000 2.287 781 V HA -0.336 3.776 4.120 -0.013 0.000 0.248 781 V C 2.329 178.194 176.094 -0.382 0.000 1.053 781 V CA 2.418 64.389 62.300 -0.548 0.000 1.027 781 V CB -0.655 30.866 31.823 -0.504 0.000 0.646 781 V HN 0.240 nan 8.190 nan 0.000 0.447 782 K N -0.719 119.523 120.400 -0.262 0.000 2.026 782 K HA -0.188 4.124 4.320 -0.013 0.000 0.208 782 K C 2.264 178.770 176.600 -0.157 0.000 1.048 782 K CA 1.802 57.997 56.287 -0.153 0.000 0.929 782 K CB -0.903 31.557 32.500 -0.067 0.000 0.713 782 K HN 0.544 nan 8.250 nan 0.000 0.439 783 C N 0.977 120.161 119.300 -0.194 0.000 2.429 783 C HA -0.116 4.337 4.460 -0.013 0.000 0.277 783 C C 2.487 177.284 174.990 -0.322 0.000 1.262 783 C CA 0.813 59.739 59.018 -0.154 0.000 1.733 783 C CB -0.698 26.977 27.740 -0.107 0.000 2.010 783 C HN 0.459 nan 8.230 nan 0.000 0.483 784 Q N 0.416 119.889 119.800 -0.545 0.000 2.170 784 Q HA -0.178 4.155 4.340 -0.013 0.000 0.203 784 Q C 1.994 177.790 176.000 -0.340 0.000 0.976 784 Q CA 1.633 57.073 55.803 -0.606 0.000 0.858 784 Q CB -0.428 27.695 28.738 -1.025 0.000 0.907 784 Q HN 0.759 nan 8.270 nan 0.000 0.433 785 E N 0.199 120.259 120.200 -0.234 0.000 2.110 785 E HA -0.142 4.200 4.350 -0.013 0.000 0.193 785 E C 2.086 178.636 176.600 -0.084 0.000 0.988 785 E CA 0.603 56.929 56.400 -0.124 0.000 0.804 785 E CB -0.010 29.639 29.700 -0.085 0.000 0.745 785 E HN 0.270 nan 8.360 nan 0.000 0.458 786 R N 0.411 120.865 120.500 -0.078 0.000 2.115 786 R HA -0.078 4.254 4.340 -0.013 0.000 0.230 786 R C 2.423 178.713 176.300 -0.016 0.000 1.111 786 R CA 0.838 56.957 56.100 0.032 0.000 0.976 786 R CB -0.297 30.096 30.300 0.156 0.000 0.870 786 R HN 0.069 nan 8.270 nan 0.000 0.445 787 V N 0.687 120.377 119.914 -0.373 0.000 2.261 787 V HA -0.255 3.858 4.120 -0.013 0.000 0.246 787 V C 2.234 178.300 176.094 -0.047 0.000 1.047 787 V CA 2.003 63.999 62.300 -0.506 0.000 1.015 787 V CB -0.446 30.964 31.823 -0.688 0.000 0.642 787 V HN 0.282 nan 8.190 nan 0.000 0.446 788 S N 0.106 115.749 115.700 -0.094 0.000 2.370 788 S HA -0.228 4.234 4.470 -0.013 0.000 0.226 788 S C 2.229 176.878 174.600 0.082 0.000 1.033 788 S CA 1.526 59.708 58.200 -0.029 0.000 1.011 788 S CB -0.595 62.565 63.200 -0.066 0.000 0.852 788 S HN 0.663 nan 8.310 nan 0.000 0.457 789 A N 1.480 124.352 122.820 0.087 0.000 1.883 789 A HA -0.075 4.237 4.320 -0.013 0.000 0.217 789 A C 2.119 179.817 177.584 0.190 0.000 1.186 789 A CA 1.317 53.429 52.037 0.126 0.000 0.624 789 A CB -0.832 18.234 19.000 0.110 0.000 0.822 789 A HN 0.463 nan 8.150 nan 0.000 0.444 790 L N -2.116 119.281 121.223 0.290 0.000 2.093 790 L HA -0.162 4.170 4.340 -0.013 0.000 0.208 790 L C 2.471 179.613 176.870 0.452 0.000 1.085 790 L CA 1.865 56.953 54.840 0.414 0.000 0.755 790 L CB -0.427 41.998 42.059 0.611 0.000 0.904 790 L HN 0.625 nan 8.230 nan 0.000 0.435 791 Y N 0.874 121.290 120.300 0.193 0.000 2.352 791 Y HA -0.229 4.315 4.550 -0.011 0.000 0.292 791 Y C 2.415 178.248 175.900 -0.110 0.000 1.136 791 Y CA 1.434 59.405 58.100 -0.214 0.000 1.227 791 Y CB -0.017 38.091 38.460 -0.588 0.000 0.991 791 Y HN 0.057 nan 8.280 nan 0.000 0.545 792 K N -0.067 120.385 120.400 0.086 0.000 2.360 792 K HA -0.162 4.151 4.320 -0.013 0.000 0.201 792 K C 0.343 176.935 176.600 -0.014 0.000 1.046 792 K CA 0.883 57.200 56.287 0.049 0.000 0.945 792 K CB -0.131 32.432 32.500 0.106 0.000 0.750 792 K HN 0.069 nan 8.250 nan 0.000 0.464 793 N N 0.293 118.998 118.700 0.009 0.000 2.898 793 N HA 0.135 4.867 4.740 -0.013 0.000 0.245 793 N C -2.445 173.071 175.510 0.010 0.000 1.185 793 N CA -2.222 50.837 53.050 0.016 0.000 0.879 793 N CB 1.247 39.773 38.487 0.065 0.000 1.157 793 N HN -0.205 nan 8.380 nan 0.000 0.503 794 P HA -0.121 nan 4.420 nan 0.000 0.216 794 P C 1.421 178.735 177.300 0.024 0.000 1.150 794 P CA 1.059 64.098 63.100 -0.101 0.000 0.843 794 P CB 0.470 32.081 31.700 -0.150 0.000 0.787 795 R N -0.325 120.188 120.500 0.020 0.000 2.073 795 R HA -0.132 4.200 4.340 -0.013 0.000 0.234 795 R C 2.037 178.376 176.300 0.065 0.000 1.134 795 R CA 1.299 57.420 56.100 0.036 0.000 0.952 795 R CB -0.567 29.746 30.300 0.023 0.000 0.850 795 R HN 0.235 nan 8.270 nan 0.000 0.433 796 E N -0.297 119.952 120.200 0.082 0.000 2.107 796 E HA -0.190 4.152 4.350 -0.013 0.000 0.191 796 E C 1.601 178.272 176.600 0.119 0.000 0.982 796 E CA 0.416 56.867 56.400 0.085 0.000 0.809 796 E CB -0.384 29.366 29.700 0.083 0.000 0.756 796 E HN 0.453 nan 8.360 nan 0.000 0.459 797 W N 2.210 123.507 121.300 -0.005 0.000 2.317 797 W HA -0.229 4.423 4.660 -0.014 0.000 0.318 797 W C 1.644 178.166 176.519 0.005 0.000 1.227 797 W CA 2.313 59.667 57.345 0.016 0.000 1.269 797 W CB -0.468 28.968 29.460 -0.040 0.000 1.155 797 W HN 0.050 nan 8.180 nan 0.000 0.484 798 T N 1.040 115.713 114.554 0.198 0.000 2.821 798 T HA -0.158 4.185 4.350 -0.013 0.000 0.267 798 T C 1.835 176.534 174.700 -0.001 0.000 1.046 798 T CA 1.641 63.793 62.100 0.086 0.000 1.139 798 T CB -0.303 68.611 68.868 0.076 0.000 0.871 798 T HN 0.177 nan 8.240 nan 0.000 0.454 799 R N 0.450 120.958 120.500 0.012 0.000 2.096 799 R HA 0.085 4.417 4.340 -0.013 0.000 0.235 799 R C 2.494 178.775 176.300 -0.032 0.000 1.127 799 R CA 1.196 57.302 56.100 0.010 0.000 0.968 799 R CB -0.322 29.993 30.300 0.024 0.000 0.861 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.424 119.966 119.600 -0.098 0.000 2.175 800 M HA -0.137 4.336 4.480 -0.013 0.000 0.264 800 M C 1.937 178.129 176.300 -0.180 0.000 1.063 800 M CA 1.351 56.554 55.300 -0.162 0.000 1.119 800 M CB 0.175 32.619 32.600 -0.260 0.000 1.377 800 M HN -0.011 nan 8.290 nan 0.000 0.415 801 V N 1.033 120.814 119.914 -0.222 0.000 2.287 801 V HA -0.329 3.783 4.120 -0.013 0.000 0.248 801 V C 2.203 178.267 176.094 -0.050 0.000 1.053 801 V CA 2.147 64.353 62.300 -0.157 0.000 1.027 801 V CB -0.657 31.093 31.823 -0.122 0.000 0.646 801 V HN 0.507 nan 8.190 nan 0.000 0.447 802 I N -0.675 119.889 120.570 -0.010 0.000 2.264 802 I HA -0.259 3.904 4.170 -0.013 0.000 0.248 802 I C 2.691 178.850 176.117 0.071 0.000 1.111 802 I CA 1.591 62.937 61.300 0.076 0.000 1.382 802 I CB -0.433 37.667 38.000 0.166 0.000 1.060 802 I HN 0.189 nan 8.210 nan 0.000 0.418 803 R N 0.425 120.943 120.500 0.030 0.000 2.148 803 R HA -0.103 4.229 4.340 -0.013 0.000 0.227 803 R C 2.027 178.349 176.300 0.038 0.000 1.103 803 R CA 1.113 57.230 56.100 0.028 0.000 0.983 803 R CB -0.370 29.931 30.300 0.002 0.000 0.874 803 R HN 0.539 nan 8.270 nan 0.000 0.451 804 N N 0.569 119.281 118.700 0.020 0.000 2.109 804 N HA -0.087 4.646 4.740 -0.013 0.000 0.188 804 N C 1.948 177.505 175.510 0.078 0.000 1.034 804 N CA 1.087 54.168 53.050 0.052 0.000 0.846 804 N CB -0.033 38.453 38.487 -0.001 0.000 1.010 804 N HN 0.123 nan 8.380 nan 0.000 0.425 805 I N 1.643 122.250 120.570 0.060 0.000 2.208 805 I HA -0.241 3.922 4.170 -0.013 0.000 0.245 805 I C 2.458 178.619 176.117 0.074 0.000 1.097 805 I CA 0.910 62.253 61.300 0.071 0.000 1.363 805 I CB -0.332 37.705 38.000 0.061 0.000 1.051 805 I HN 0.095 nan 8.210 nan 0.000 0.413 806 A N 0.316 123.179 122.820 0.072 0.000 2.070 806 A HA -0.161 4.151 4.320 -0.013 0.000 0.220 806 A C 2.090 179.708 177.584 0.057 0.000 1.159 806 A CA 2.042 54.113 52.037 0.056 0.000 0.656 806 A CB -0.843 18.193 19.000 0.060 0.000 0.800 806 A HN 0.540 nan 8.150 nan 0.000 0.453 807 T N -3.008 111.594 114.554 0.081 0.000 3.174 807 T HA 0.178 4.520 4.350 -0.013 0.000 0.269 807 T C 1.194 175.988 174.700 0.156 0.000 1.017 807 T CA 0.645 62.799 62.100 0.091 0.000 0.899 807 T CB -0.181 68.740 68.868 0.088 0.000 1.077 807 T HN 0.481 nan 8.240 nan 0.000 0.552 808 S N 0.267 116.073 115.700 0.177 0.000 2.562 808 S HA 0.212 4.675 4.470 -0.013 0.000 0.221 808 S C 2.232 176.967 174.600 0.224 0.000 0.975 808 S CA 0.352 58.729 58.200 0.295 0.000 0.918 808 S CB -0.743 62.594 63.200 0.228 0.000 0.772 808 S HN 0.535 nan 8.310 nan 0.000 0.531 809 G N 2.654 111.507 108.800 0.088 0.000 2.469 809 G HA2 -0.308 3.645 3.960 -0.013 0.000 0.219 809 G HA3 -0.308 3.645 3.960 -0.013 0.000 0.219 809 G C 1.324 176.177 174.900 -0.079 0.000 1.150 809 G CA 1.081 46.196 45.100 0.025 0.000 0.763 809 G HN 0.619 nan 8.290 nan 0.000 0.561 810 K N -0.322 119.914 120.400 -0.273 0.000 2.281 810 K HA -0.064 4.248 4.320 -0.013 0.000 0.203 810 K C 1.183 177.445 176.600 -0.562 0.000 1.046 810 K CA 0.860 56.831 56.287 -0.527 0.000 0.938 810 K CB -0.240 31.753 32.500 -0.846 0.000 0.737 810 K HN 0.364 nan 8.250 nan 0.000 0.458 811 F N 0.734 120.713 119.950 0.048 0.000 2.664 811 F HA 0.188 4.707 4.527 -0.013 0.000 0.301 811 F C 0.749 176.593 175.800 0.073 0.000 1.126 811 F CA -0.350 57.685 58.000 0.059 0.000 1.373 811 F CB 0.146 39.177 39.000 0.053 0.000 1.042 811 F HN -0.149 nan 8.300 nan 0.000 0.535 812 S N 0.283 116.065 115.700 0.137 0.000 2.531 812 S HA 0.088 4.550 4.470 -0.013 0.000 0.279 812 S C 1.504 176.182 174.600 0.131 0.000 1.305 812 S CA -0.014 58.261 58.200 0.126 0.000 1.058 812 S CB 0.667 63.911 63.200 0.073 0.000 0.899 812 S HN 0.376 nan 8.310 nan 0.000 0.493 813 S N 3.429 119.233 115.700 0.173 0.000 2.500 813 S HA -0.097 4.365 4.470 -0.013 0.000 0.239 813 S C 1.002 175.651 174.600 0.081 0.000 0.989 813 S CA 0.832 59.151 58.200 0.197 0.000 0.951 813 S CB -0.364 63.029 63.200 0.322 0.000 0.759 813 S HN 0.793 nan 8.310 nan 0.000 0.523 814 D N 1.962 122.397 120.400 0.058 0.000 2.117 814 D HA -0.104 4.528 4.640 -0.013 0.000 0.197 814 D C 2.110 178.412 176.300 0.003 0.000 0.987 814 D CA 0.890 54.902 54.000 0.020 0.000 0.829 814 D CB -0.359 40.450 40.800 0.016 0.000 0.961 814 D HN 0.298 nan 8.370 nan 0.000 0.460 815 R N 0.803 121.306 120.500 0.005 0.000 2.073 815 R HA -0.098 4.234 4.340 -0.013 0.000 0.234 815 R C 1.947 178.234 176.300 -0.021 0.000 1.134 815 R CA 1.516 57.605 56.100 -0.019 0.000 0.952 815 R CB -0.861 29.413 30.300 -0.042 0.000 0.850 815 R HN 0.139 nan 8.270 nan 0.000 0.433 816 T N 2.254 116.817 114.554 0.015 0.000 2.635 816 T HA -0.144 4.199 4.350 -0.013 0.000 0.267 816 T C 1.939 176.639 174.700 0.001 0.000 1.040 816 T CA 1.489 63.614 62.100 0.042 0.000 1.156 816 T CB -0.152 68.816 68.868 0.166 0.000 0.863 816 T HN 0.112 nan 8.240 nan 0.000 0.430 817 I N 1.637 122.137 120.570 -0.118 0.000 2.315 817 I HA -0.083 4.079 4.170 -0.013 0.000 0.248 817 I C 2.926 179.004 176.117 -0.065 0.000 1.117 817 I CA 0.950 62.151 61.300 -0.164 0.000 1.404 817 I CB -1.625 36.272 38.000 -0.171 0.000 1.071 817 I HN 0.202 nan 8.210 nan 0.000 0.419 818 A N 0.159 122.955 122.820 -0.039 0.000 1.978 818 A HA -0.236 4.076 4.320 -0.013 0.000 0.220 818 A C 2.244 179.785 177.584 -0.072 0.000 1.170 818 A CA 1.454 53.474 52.037 -0.029 0.000 0.636 818 A CB -0.511 18.477 19.000 -0.020 0.000 0.810 818 A HN 0.525 nan 8.150 nan 0.000 0.448 819 Q N -1.889 117.847 119.800 -0.107 0.000 2.083 819 Q HA -0.139 4.193 4.340 -0.013 0.000 0.198 819 Q C 1.925 177.747 176.000 -0.296 0.000 0.969 819 Q CA 1.504 57.202 55.803 -0.176 0.000 0.838 819 Q CB -0.311 28.313 28.738 -0.190 0.000 0.900 819 Q HN 0.809 nan 8.270 nan 0.000 0.436 820 Y N 0.805 120.815 120.300 -0.484 0.000 2.114 820 Y HA -0.315 4.227 4.550 -0.013 0.000 0.282 820 Y C 2.499 177.818 175.900 -0.968 0.000 1.165 820 Y CA 1.348 58.903 58.100 -0.909 0.000 1.148 820 Y CB -0.479 37.123 38.460 -1.430 0.000 0.972 820 Y HN 0.169 nan 8.280 nan 0.000 0.504 821 A N 0.245 122.830 122.820 -0.392 0.000 1.865 821 A HA -0.228 4.084 4.320 -0.013 0.000 0.217 821 A C 2.248 179.845 177.584 0.021 0.000 1.191 821 A CA 2.082 54.140 52.037 0.034 0.000 0.623 821 A CB -0.568 18.532 19.000 0.167 0.000 0.826 821 A HN 0.436 nan 8.150 nan 0.000 0.444 822 R N -0.797 119.676 120.500 -0.045 0.000 2.093 822 R HA -0.016 4.316 4.340 -0.013 0.000 0.224 822 R C 1.865 178.141 176.300 -0.041 0.000 1.101 822 R CA 1.438 57.524 56.100 -0.023 0.000 0.979 822 R CB -0.162 30.119 30.300 -0.030 0.000 0.877 822 R HN 0.655 nan 8.270 nan 0.000 0.441 823 E N -0.440 119.695 120.200 -0.109 0.000 2.364 823 E HA 0.085 4.428 4.350 -0.013 0.000 0.196 823 E C 1.455 178.007 176.600 -0.080 0.000 0.990 823 E CA 0.465 56.806 56.400 -0.099 0.000 0.886 823 E CB 0.526 30.139 29.700 -0.145 0.000 0.866 823 E HN 0.282 nan 8.360 nan 0.000 0.493 824 I N -1.138 119.348 120.570 -0.141 0.000 3.570 824 I HA 0.017 4.179 4.170 -0.013 0.000 0.270 824 I C 1.319 177.567 176.117 0.219 0.000 1.162 824 I CA -0.067 61.212 61.300 -0.035 0.000 1.413 824 I CB 0.240 38.088 38.000 -0.252 0.000 1.437 824 I HN 0.111 nan 8.210 nan 0.000 0.457 825 W N 1.543 122.938 121.300 0.158 0.000 2.770 825 W HA 0.325 4.977 4.660 -0.013 0.000 0.256 825 W C 1.448 178.006 176.519 0.065 0.000 1.291 825 W CA 0.767 58.187 57.345 0.125 0.000 1.396 825 W CB -1.110 28.410 29.460 0.101 0.000 1.114 825 W HN 0.304 nan 8.180 nan 0.000 0.637 826 G N 1.348 110.286 108.800 0.229 0.000 2.298 826 G HA2 -0.088 3.864 3.960 -0.013 0.000 0.287 826 G HA3 -0.088 3.864 3.960 -0.013 0.000 0.287 826 G C -0.354 174.620 174.900 0.123 0.000 1.075 826 G CA 0.276 45.453 45.100 0.130 0.000 0.960 826 G HN 0.451 nan 8.290 nan 0.000 0.502 827 V N -4.231 115.773 119.914 0.151 0.000 2.925 827 V HA 0.889 5.001 4.120 -0.013 0.000 0.311 827 V C -0.389 175.765 176.094 0.101 0.000 1.104 827 V CA -1.715 60.656 62.300 0.119 0.000 0.954 827 V CB 2.338 34.241 31.823 0.133 0.000 1.022 827 V HN 0.138 nan 8.190 nan 0.000 0.427 828 E N 3.932 124.174 120.200 0.070 0.000 2.200 828 E HA 0.515 4.858 4.350 -0.013 0.000 0.283 828 E C -2.456 174.181 176.600 0.062 0.000 1.015 828 E CA -1.765 54.670 56.400 0.057 0.000 0.819 828 E CB 1.668 31.393 29.700 0.042 0.000 1.081 828 E HN 0.739 nan 8.360 nan 0.000 0.397 829 P HA 0.075 nan 4.420 nan 0.000 0.272 829 P C -0.508 176.821 177.300 0.048 0.000 1.230 829 P CA -0.304 62.830 63.100 0.057 0.000 0.788 829 P CB 0.814 32.542 31.700 0.047 0.000 0.949 830 S N 0.693 116.423 115.700 0.050 0.000 2.614 830 S HA 0.316 4.778 4.470 -0.013 0.000 0.288 830 S C 0.553 175.177 174.600 0.040 0.000 1.137 830 S CA -0.731 57.496 58.200 0.046 0.000 0.992 830 S CB 0.924 64.159 63.200 0.059 0.000 1.026 830 S HN 0.246 nan 8.310 nan 0.000 0.486 831 R N 2.284 122.803 120.500 0.032 0.000 2.317 831 R HA 0.174 4.506 4.340 -0.013 0.000 0.208 831 R C 0.081 176.393 176.300 0.020 0.000 0.914 831 R CA 0.190 56.308 56.100 0.029 0.000 1.060 831 R CB -0.015 30.302 30.300 0.028 0.000 1.015 831 R HN 0.700 nan 8.270 nan 0.000 0.498 832 Q N 0.890 120.701 119.800 0.018 0.000 2.364 832 Q HA 0.065 4.397 4.340 -0.013 0.000 0.267 832 Q C -0.246 175.747 176.000 -0.012 0.000 0.999 832 Q CA 0.226 56.033 55.803 0.005 0.000 0.886 832 Q CB 0.659 29.404 28.738 0.011 0.000 1.243 832 Q HN -0.194 nan 8.270 nan 0.000 0.415 833 R N 1.470 121.955 120.500 -0.026 0.000 2.590 833 R HA 0.168 4.500 4.340 -0.013 0.000 0.274 833 R C -0.516 175.743 176.300 -0.069 0.000 1.061 833 R CA 0.094 56.166 56.100 -0.047 0.000 1.081 833 R CB 0.324 30.595 30.300 -0.047 0.000 0.984 833 R HN 0.500 nan 8.270 nan 0.000 0.448 834 L N 5.656 126.820 121.223 -0.099 0.000 2.395 834 L HA 0.368 4.700 4.340 -0.013 0.000 0.269 834 L C -1.678 175.132 176.870 -0.100 0.000 1.133 834 L CA -2.040 52.712 54.840 -0.146 0.000 0.812 834 L CB 1.040 42.975 42.059 -0.207 0.000 1.125 834 L HN 0.484 nan 8.230 nan 0.000 0.452 835 P HA 0.008 nan 4.420 nan 0.000 0.268 835 P C -0.245 177.025 177.300 -0.050 0.000 1.204 835 P CA -0.052 63.013 63.100 -0.057 0.000 0.768 835 P CB 1.095 32.768 31.700 -0.045 0.000 0.842 836 A N 4.832 127.630 122.820 -0.036 0.000 1.833 836 A HA 0.398 4.711 4.320 -0.013 0.000 0.215 836 A C -0.566 177.010 177.584 -0.013 0.000 1.275 836 A CA 1.605 53.627 52.037 -0.025 0.000 0.602 836 A CB -1.865 17.123 19.000 -0.020 0.000 0.929 836 A HN 0.615 nan 8.150 nan 0.000 0.462 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 837 P CB 0.000 31.702 31.700 0.004 0.000 0.726