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 3mt7_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.700 28.738 -0.063 0.000 1.108 13 I N -0.483 120.076 120.570 -0.018 0.000 2.460 13 I HA 0.574 4.736 4.170 -0.012 0.000 0.298 13 I C 0.854 176.972 176.117 0.002 0.000 0.989 13 I CA -0.228 61.070 61.300 -0.004 0.000 1.173 13 I CB 2.050 40.052 38.000 0.003 0.000 1.338 13 I HN 0.188 nan 8.210 nan 0.000 0.456 14 S N 3.626 119.332 115.700 0.011 0.000 2.368 14 S HA -0.147 4.316 4.470 -0.012 0.000 0.225 14 S C 1.722 176.333 174.600 0.018 0.000 1.030 14 S CA 1.941 60.150 58.200 0.014 0.000 0.999 14 S CB -0.516 62.697 63.200 0.020 0.000 0.844 14 S HN 0.785 nan 8.310 nan 0.000 0.459 15 V N -0.154 119.778 119.914 0.031 0.000 3.078 15 V HA 0.150 4.263 4.120 -0.012 0.000 0.265 15 V C 1.937 178.048 176.094 0.028 0.000 1.122 15 V CA 1.222 63.545 62.300 0.038 0.000 1.141 15 V CB -1.024 30.830 31.823 0.053 0.000 0.735 15 V HN 0.360 nan 8.190 nan 0.000 0.498 16 R N 1.238 121.746 120.500 0.013 0.000 2.313 16 R HA 0.421 4.754 4.340 -0.012 0.000 0.199 16 R C 1.148 177.441 176.300 -0.013 0.000 0.958 16 R CA 0.583 56.684 56.100 0.000 0.000 1.047 16 R CB -0.063 30.233 30.300 -0.006 0.000 0.955 16 R HN 0.774 nan 8.270 nan 0.000 0.481 17 G N 0.530 109.322 108.800 -0.013 0.000 2.685 17 G HA2 -0.207 3.746 3.960 -0.012 0.000 0.387 17 G HA3 -0.207 3.746 3.960 -0.012 0.000 0.387 17 G C -0.993 173.893 174.900 -0.024 0.000 1.324 17 G CA -1.102 43.982 45.100 -0.026 0.000 0.878 17 G HN -0.036 nan 8.290 nan 0.000 0.527 18 L N 0.507 121.714 121.223 -0.027 0.000 2.371 18 L HA 0.633 4.965 4.340 -0.012 0.000 0.272 18 L C 1.294 178.151 176.870 -0.021 0.000 1.124 18 L CA 0.506 55.334 54.840 -0.021 0.000 0.816 18 L CB 0.983 43.031 42.059 -0.019 0.000 1.129 18 L HN 1.525 nan 8.230 nan 0.000 0.448 19 A N 2.866 125.676 122.820 -0.016 0.000 3.079 19 A HA 0.572 4.885 4.320 -0.012 0.000 0.315 19 A C 0.722 178.304 177.584 -0.004 0.000 1.334 19 A CA -0.335 51.695 52.037 -0.012 0.000 1.048 19 A CB -0.392 18.601 19.000 -0.012 0.000 1.156 19 A HN 0.790 nan 8.150 nan 0.000 0.523 20 G N -0.202 108.596 108.800 -0.003 0.000 2.491 20 G HA2 0.349 4.302 3.960 -0.012 0.000 0.242 20 G HA3 0.349 4.302 3.960 -0.012 0.000 0.242 20 G C 1.023 175.929 174.900 0.009 0.000 1.266 20 G CA 0.010 45.111 45.100 0.002 0.000 0.844 20 G HN 0.456 nan 8.290 nan 0.000 0.571 21 V N 1.631 121.551 119.914 0.010 0.000 2.287 21 V HA -0.207 3.906 4.120 -0.012 0.000 0.248 21 V C 2.648 178.753 176.094 0.018 0.000 1.053 21 V CA 2.468 64.776 62.300 0.013 0.000 1.027 21 V CB -0.714 31.116 31.823 0.011 0.000 0.646 21 V HN 0.832 nan 8.190 nan 0.000 0.447 22 E N 0.511 120.722 120.200 0.018 0.000 2.051 22 E HA -0.200 4.143 4.350 -0.012 0.000 0.192 22 E C 2.052 178.673 176.600 0.035 0.000 0.991 22 E CA 1.676 58.091 56.400 0.024 0.000 0.799 22 E CB -0.228 29.485 29.700 0.022 0.000 0.748 22 E HN 0.627 nan 8.360 nan 0.000 0.449 23 N N -0.797 117.923 118.700 0.033 0.000 2.084 23 N HA -0.134 4.599 4.740 -0.012 0.000 0.190 23 N C 1.641 177.178 175.510 0.045 0.000 1.030 23 N CA 1.288 54.364 53.050 0.044 0.000 0.849 23 N CB -0.141 38.359 38.487 0.022 0.000 1.012 23 N HN 0.001 nan 8.380 nan 0.000 0.423 24 V N 0.320 120.252 119.914 0.030 0.000 2.343 24 V HA -0.239 3.873 4.120 -0.012 0.000 0.247 24 V C 2.027 178.143 176.094 0.036 0.000 1.051 24 V CA 1.930 64.247 62.300 0.028 0.000 1.036 24 V CB -0.978 30.857 31.823 0.020 0.000 0.654 24 V HN 0.410 nan 8.190 nan 0.000 0.451 25 T N -0.681 113.894 114.554 0.035 0.000 2.746 25 T HA -0.227 4.115 4.350 -0.012 0.000 0.267 25 T C 1.922 176.655 174.700 0.054 0.000 1.039 25 T CA 1.781 63.903 62.100 0.037 0.000 1.142 25 T CB -0.211 68.675 68.868 0.029 0.000 0.866 25 T HN 0.414 nan 8.240 nan 0.000 0.444 26 E N 0.825 121.065 120.200 0.066 0.000 2.072 26 E HA 0.025 4.367 4.350 -0.012 0.000 0.191 26 E C 2.098 178.774 176.600 0.127 0.000 0.985 26 E CA 0.694 57.146 56.400 0.088 0.000 0.801 26 E CB -0.480 29.276 29.700 0.094 0.000 0.750 26 E HN 0.420 nan 8.360 nan 0.000 0.452 27 L N 0.242 121.547 121.223 0.138 0.000 2.012 27 L HA -0.240 4.092 4.340 -0.012 0.000 0.210 27 L C 2.363 179.340 176.870 0.178 0.000 1.073 27 L CA 1.529 56.472 54.840 0.173 0.000 0.748 27 L CB -0.366 41.765 42.059 0.120 0.000 0.891 27 L HN 0.075 nan 8.230 nan 0.000 0.431 28 K N 0.386 120.851 120.400 0.108 0.000 2.063 28 K HA -0.221 4.092 4.320 -0.012 0.000 0.208 28 K C 2.146 178.843 176.600 0.160 0.000 1.048 28 K CA 1.854 58.197 56.287 0.092 0.000 0.928 28 K CB -0.119 32.398 32.500 0.028 0.000 0.713 28 K HN 0.383 nan 8.250 nan 0.000 0.442 29 K N 0.268 120.743 120.400 0.126 0.000 2.103 29 K HA -0.059 4.253 4.320 -0.012 0.000 0.204 29 K C 1.545 178.225 176.600 0.132 0.000 1.052 29 K CA 1.330 57.685 56.287 0.113 0.000 0.945 29 K CB -0.114 32.428 32.500 0.070 0.000 0.722 29 K HN 0.003 nan 8.250 nan 0.000 0.443 30 N N 0.491 119.281 118.700 0.149 0.000 2.244 30 N HA -0.114 4.618 4.740 -0.012 0.000 0.183 30 N C 1.581 177.224 175.510 0.223 0.000 1.016 30 N CA 0.917 54.044 53.050 0.129 0.000 0.866 30 N CB -0.267 38.311 38.487 0.152 0.000 0.980 30 N HN 0.222 nan 8.380 nan 0.000 0.430 31 F N 2.472 122.515 119.950 0.155 0.000 2.102 31 F HA -0.098 4.422 4.527 -0.012 0.000 0.298 31 F C 1.998 177.895 175.800 0.163 0.000 1.105 31 F CA 1.241 59.350 58.000 0.182 0.000 1.239 31 F CB -0.106 38.975 39.000 0.136 0.000 0.991 31 F HN -0.032 nan 8.300 nan 0.000 0.474 32 N N 0.450 119.368 118.700 0.363 0.000 2.188 32 N HA -0.179 4.554 4.740 -0.012 0.000 0.184 32 N C 2.021 177.605 175.510 0.123 0.000 1.018 32 N CA 1.106 54.293 53.050 0.228 0.000 0.858 32 N CB -0.552 38.049 38.487 0.190 0.000 0.989 32 N HN 0.366 nan 8.380 nan 0.000 0.426 33 R N 0.293 120.862 120.500 0.115 0.000 2.073 33 R HA -0.104 4.228 4.340 -0.012 0.000 0.234 33 R C 1.805 178.184 176.300 0.132 0.000 1.134 33 R CA 1.497 57.692 56.100 0.158 0.000 0.952 33 R CB -0.208 30.114 30.300 0.037 0.000 0.850 33 R HN 0.397 nan 8.270 nan 0.000 0.433 34 H N -0.433 118.678 119.070 0.068 0.000 2.357 34 H HA -0.121 4.427 4.556 -0.013 0.000 0.301 34 H C 1.907 177.156 175.328 -0.133 0.000 1.082 34 H CA 1.366 57.382 56.048 -0.052 0.000 1.342 34 H CB 0.071 29.759 29.762 -0.123 0.000 1.389 34 H HN 0.119 nan 8.280 nan 0.000 0.511 35 L N 0.067 121.256 121.223 -0.057 0.000 2.042 35 L HA -0.214 4.118 4.340 -0.012 0.000 0.210 35 L C 2.227 179.063 176.870 -0.057 0.000 1.076 35 L CA 1.940 56.719 54.840 -0.102 0.000 0.749 35 L CB -0.488 41.530 42.059 -0.069 0.000 0.893 35 L HN 0.315 nan 8.230 nan 0.000 0.432 36 H N -1.805 117.181 119.070 -0.141 0.000 2.276 36 H HA -0.079 4.470 4.556 -0.013 0.000 0.307 36 H C 1.821 176.958 175.328 -0.318 0.000 1.061 36 H CA 2.270 58.145 56.048 -0.289 0.000 1.336 36 H CB -0.296 29.194 29.762 -0.452 0.000 1.396 36 H HN 0.285 nan 8.280 nan 0.000 0.503 37 F N -0.449 119.489 119.950 -0.021 0.000 2.293 37 F HA -0.008 4.512 4.527 -0.013 0.000 0.297 37 F C 2.529 178.259 175.800 -0.116 0.000 1.089 37 F CA 1.344 59.291 58.000 -0.088 0.000 1.377 37 F CB -0.242 38.750 39.000 -0.014 0.000 1.051 37 F HN 0.195 nan 8.300 nan 0.000 0.511 38 T N -0.420 114.167 114.554 0.054 0.000 2.983 38 T HA 0.099 4.442 4.350 -0.012 0.000 0.250 38 T C 1.886 176.473 174.700 -0.188 0.000 1.037 38 T CA 0.749 62.799 62.100 -0.084 0.000 1.142 38 T CB -0.208 68.556 68.868 -0.173 0.000 0.876 38 T HN 0.097 nan 8.240 nan 0.000 0.455 39 L N 1.186 122.296 121.223 -0.189 0.000 2.554 39 L HA 0.216 4.548 4.340 -0.012 0.000 0.225 39 L C 0.285 177.045 176.870 -0.184 0.000 1.104 39 L CA -0.086 54.631 54.840 -0.204 0.000 0.866 39 L CB 0.139 42.081 42.059 -0.195 0.000 1.047 39 L HN -0.030 nan 8.230 nan 0.000 0.468 40 V N 0.237 120.029 119.914 -0.204 0.000 5.820 40 V HA -0.282 3.831 4.120 -0.012 0.000 0.300 40 V C -0.120 175.855 176.094 -0.200 0.000 0.585 40 V CA 1.066 63.222 62.300 -0.241 0.000 0.629 40 V CB -2.267 29.444 31.823 -0.188 0.000 0.291 40 V HN 0.400 nan 8.190 nan 0.000 0.887 41 K N 0.851 121.141 120.400 -0.182 0.000 2.512 41 K HA 0.702 5.015 4.320 -0.012 0.000 0.263 41 K C -0.455 176.111 176.600 -0.057 0.000 0.966 41 K CA -0.485 55.730 56.287 -0.120 0.000 0.851 41 K CB 2.825 35.249 32.500 -0.128 0.000 1.395 41 K HN 0.469 nan 8.250 nan 0.000 0.440 42 D N -0.532 119.857 120.400 -0.018 0.000 2.525 42 D HA 0.314 4.946 4.640 -0.012 0.000 0.249 42 D C 0.715 177.049 176.300 0.057 0.000 1.072 42 D CA -0.652 53.372 54.000 0.040 0.000 1.067 42 D CB 0.796 41.624 40.800 0.047 0.000 1.282 42 D HN 0.108 nan 8.370 nan 0.000 0.587 43 R N -0.135 120.432 120.500 0.112 0.000 2.241 43 R HA -0.017 4.315 4.340 -0.012 0.000 0.224 43 R C 0.905 177.281 176.300 0.127 0.000 1.101 43 R CA 0.521 56.729 56.100 0.181 0.000 0.995 43 R CB -0.725 29.683 30.300 0.181 0.000 0.870 43 R HN 0.508 nan 8.270 nan 0.000 0.463 44 N N 0.278 119.018 118.700 0.066 0.000 2.300 44 N HA -0.083 4.650 4.740 -0.012 0.000 0.179 44 N C 1.599 177.124 175.510 0.025 0.000 1.016 44 N CA 1.375 54.452 53.050 0.045 0.000 0.876 44 N CB 0.221 38.724 38.487 0.026 0.000 0.979 44 N HN 0.227 nan 8.380 nan 0.000 0.432 45 V N -3.088 116.826 119.914 -0.000 0.000 3.432 45 V HA 0.554 4.667 4.120 -0.012 0.000 0.298 45 V C 0.650 176.698 176.094 -0.076 0.000 1.464 45 V CA -0.668 61.615 62.300 -0.029 0.000 1.046 45 V CB -0.274 31.529 31.823 -0.034 0.000 0.887 45 V HN 0.057 nan 8.190 nan 0.000 0.441 46 A N 2.230 124.981 122.820 -0.115 0.000 2.450 46 A HA 0.584 4.896 4.320 -0.012 0.000 0.255 46 A C 0.794 178.179 177.584 -0.332 0.000 1.096 46 A CA 0.712 52.565 52.037 -0.306 0.000 0.778 46 A CB -0.092 18.585 19.000 -0.539 0.000 1.031 46 A HN 0.790 nan 8.150 nan 0.000 0.494 47 T N 0.703 115.079 114.554 -0.297 0.000 2.902 47 T HA 0.482 4.824 4.350 -0.012 0.000 0.280 47 T C -1.975 172.613 174.700 -0.186 0.000 0.992 47 T CA -1.634 60.366 62.100 -0.167 0.000 1.015 47 T CB 0.963 69.775 68.868 -0.093 0.000 1.044 47 T HN 0.294 nan 8.240 nan 0.000 0.520 48 P HA -0.100 nan 4.420 nan 0.000 0.217 48 P C 1.587 178.975 177.300 0.147 0.000 1.148 48 P CA 0.960 64.164 63.100 0.174 0.000 0.828 48 P CB 0.042 31.825 31.700 0.137 0.000 0.783 49 R N -0.025 120.511 120.500 0.060 0.000 2.092 49 R HA -0.128 4.205 4.340 -0.012 0.000 0.231 49 R C 1.687 178.126 176.300 0.232 0.000 1.119 49 R CA 1.641 57.809 56.100 0.114 0.000 0.970 49 R CB -0.676 29.627 30.300 0.003 0.000 0.864 49 R HN 0.068 nan 8.270 nan 0.000 0.440 50 D N -0.225 120.209 120.400 0.056 0.000 2.123 50 D HA -0.203 4.430 4.640 -0.012 0.000 0.196 50 D C 1.701 178.010 176.300 0.015 0.000 0.992 50 D CA 1.365 55.355 54.000 -0.018 0.000 0.833 50 D CB -0.299 40.349 40.800 -0.253 0.000 0.954 50 D HN 0.302 nan 8.370 nan 0.000 0.455 51 Y N 0.054 120.443 120.300 0.148 0.000 2.181 51 Y HA -0.206 4.336 4.550 -0.012 0.000 0.288 51 Y C 2.337 178.368 175.900 0.219 0.000 1.146 51 Y CA 0.367 58.602 58.100 0.225 0.000 1.164 51 Y CB -1.223 37.422 38.460 0.307 0.000 0.982 51 Y HN 0.088 nan 8.280 nan 0.000 0.515 52 Y N -0.420 120.015 120.300 0.224 0.000 2.128 52 Y HA -0.311 4.232 4.550 -0.013 0.000 0.284 52 Y C 2.034 177.919 175.900 -0.024 0.000 1.154 52 Y CA 1.443 59.577 58.100 0.057 0.000 1.149 52 Y CB -1.167 37.222 38.460 -0.118 0.000 0.976 52 Y HN 0.059 nan 8.280 nan 0.000 0.505 53 F N 0.105 119.862 119.950 -0.322 0.000 2.171 53 F HA -0.145 4.375 4.527 -0.012 0.000 0.300 53 F C 2.635 178.263 175.800 -0.286 0.000 1.090 53 F CA 1.140 58.894 58.000 -0.410 0.000 1.293 53 F CB -0.729 38.167 39.000 -0.174 0.000 1.013 53 F HN 0.215 nan 8.300 nan 0.000 0.486 54 A N -0.102 122.646 122.820 -0.120 0.000 1.902 54 A HA -0.190 4.122 4.320 -0.012 0.000 0.217 54 A C 2.046 179.507 177.584 -0.206 0.000 1.181 54 A CA 1.585 53.420 52.037 -0.338 0.000 0.623 54 A CB -1.013 17.471 19.000 -0.860 0.000 0.818 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 L N -0.197 121.031 121.223 0.008 0.000 2.017 55 L HA -0.036 4.296 4.340 -0.012 0.000 0.208 55 L C 2.680 179.576 176.870 0.044 0.000 1.073 55 L CA 2.215 57.199 54.840 0.239 0.000 0.745 55 L CB -0.953 41.319 42.059 0.356 0.000 0.894 55 L HN 0.346 nan 8.230 nan 0.000 0.432 56 A N -1.276 121.415 122.820 -0.214 0.000 1.908 56 A HA -0.291 4.022 4.320 -0.012 0.000 0.218 56 A C 2.149 179.479 177.584 -0.423 0.000 1.181 56 A CA 2.067 53.885 52.037 -0.365 0.000 0.627 56 A CB -1.076 17.421 19.000 -0.839 0.000 0.818 56 A HN 0.671 nan 8.150 nan 0.000 0.445 57 H N -0.732 118.064 119.070 -0.457 0.000 2.389 57 H HA -0.046 4.503 4.556 -0.012 0.000 0.299 57 H C 2.359 177.464 175.328 -0.370 0.000 1.081 57 H CA 1.967 57.656 56.048 -0.599 0.000 1.345 57 H CB -0.327 28.785 29.762 -1.084 0.000 1.393 57 H HN 0.459 nan 8.280 nan 0.000 0.520 58 T N -0.304 114.262 114.554 0.020 0.000 2.708 58 T HA -0.139 4.203 4.350 -0.012 0.000 0.266 58 T C 2.267 177.153 174.700 0.310 0.000 1.037 58 T CA 1.423 63.701 62.100 0.297 0.000 1.146 58 T CB -0.433 68.659 68.868 0.373 0.000 0.865 58 T HN 0.091 nan 8.240 nan 0.000 0.435 59 V N 2.430 122.486 119.914 0.237 0.000 2.307 59 V HA -0.171 3.942 4.120 -0.012 0.000 0.245 59 V C 2.663 178.934 176.094 0.294 0.000 1.045 59 V CA 1.983 64.448 62.300 0.274 0.000 1.024 59 V CB -0.697 31.284 31.823 0.263 0.000 0.651 59 V HN 0.518 nan 8.190 nan 0.000 0.449 60 R N 0.439 121.054 120.500 0.191 0.000 2.152 60 R HA -0.199 4.134 4.340 -0.012 0.000 0.232 60 R C 1.677 178.067 176.300 0.150 0.000 1.117 60 R CA 2.047 58.251 56.100 0.172 0.000 0.981 60 R CB -0.702 29.541 30.300 -0.095 0.000 0.870 60 R HN 0.381 nan 8.270 nan 0.000 0.451 61 D N 0.708 121.191 120.400 0.138 0.000 2.182 61 D HA -0.163 4.470 4.640 -0.012 0.000 0.201 61 D C 1.645 177.964 176.300 0.032 0.000 0.986 61 D CA 1.155 55.209 54.000 0.091 0.000 0.847 61 D CB -0.356 40.495 40.800 0.086 0.000 0.942 61 D HN 0.494 nan 8.370 nan 0.000 0.467 62 H N -0.327 118.803 119.070 0.100 0.000 2.524 62 H HA 0.056 4.605 4.556 -0.012 0.000 0.282 62 H C 2.108 177.476 175.328 0.066 0.000 1.016 62 H CA 0.349 56.442 56.048 0.074 0.000 1.270 62 H CB 0.378 30.177 29.762 0.062 0.000 1.394 62 H HN 0.201 nan 8.280 nan 0.000 0.568 63 L N -0.179 121.154 121.223 0.183 0.000 2.270 63 L HA -0.073 4.260 4.340 -0.012 0.000 0.210 63 L C 2.454 179.437 176.870 0.188 0.000 1.104 63 L CA 0.085 55.002 54.840 0.129 0.000 0.804 63 L CB 0.022 42.123 42.059 0.071 0.000 0.937 63 L HN 0.023 nan 8.230 nan 0.000 0.450 64 V N 0.341 120.373 119.914 0.196 0.000 2.255 64 V HA -0.248 3.864 4.120 -0.012 0.000 0.247 64 V C 2.623 178.818 176.094 0.167 0.000 1.051 64 V CA 2.224 64.660 62.300 0.226 0.000 1.018 64 V CB -1.280 30.626 31.823 0.139 0.000 0.641 64 V HN 0.560 nan 8.190 nan 0.000 0.445 65 G N -0.418 108.439 108.800 0.095 0.000 2.421 65 G HA2 -0.249 3.703 3.960 -0.012 0.000 0.216 65 G HA3 -0.249 3.703 3.960 -0.012 0.000 0.216 65 G C 1.737 176.679 174.900 0.070 0.000 1.171 65 G CA 0.828 45.963 45.100 0.058 0.000 0.775 65 G HN 0.443 nan 8.290 nan 0.000 0.543 66 R N -1.369 119.182 120.500 0.084 0.000 2.096 66 R HA -0.103 4.229 4.340 -0.012 0.000 0.235 66 R C 2.260 178.638 176.300 0.131 0.000 1.127 66 R CA 1.299 57.439 56.100 0.066 0.000 0.968 66 R CB -0.354 29.970 30.300 0.040 0.000 0.861 66 R HN 0.489 nan 8.270 nan 0.000 0.440 67 W N 1.404 122.682 121.300 -0.036 0.000 2.379 67 W HA -0.048 4.605 4.660 -0.012 0.000 0.307 67 W C 1.721 178.212 176.519 -0.047 0.000 1.200 67 W CA 0.873 58.194 57.345 -0.039 0.000 1.297 67 W CB -0.584 28.871 29.460 -0.009 0.000 1.140 67 W HN -0.032 nan 8.180 nan 0.000 0.507 68 I N 1.078 121.700 120.570 0.087 0.000 2.226 68 I HA -0.341 3.821 4.170 -0.012 0.000 0.245 68 I C 2.719 178.820 176.117 -0.025 0.000 1.100 68 I CA 2.005 63.276 61.300 -0.049 0.000 1.374 68 I CB -0.631 37.339 38.000 -0.050 0.000 1.057 68 I HN -0.027 nan 8.210 nan 0.000 0.413 69 R N 0.431 120.930 120.500 -0.002 0.000 2.115 69 R HA -0.068 4.265 4.340 -0.012 0.000 0.226 69 R C 1.915 178.179 176.300 -0.060 0.000 1.100 69 R CA 1.596 57.684 56.100 -0.020 0.000 0.980 69 R CB -1.188 29.100 30.300 -0.021 0.000 0.875 69 R HN 0.187 nan 8.270 nan 0.000 0.445 70 T N 1.719 116.219 114.554 -0.090 0.000 2.674 70 T HA -0.108 4.235 4.350 -0.012 0.000 0.265 70 T C 1.838 176.278 174.700 -0.434 0.000 1.039 70 T CA 1.398 63.336 62.100 -0.271 0.000 1.150 70 T CB -0.139 68.607 68.868 -0.204 0.000 0.864 70 T HN 0.248 nan 8.240 nan 0.000 0.427 71 Q N 0.981 120.675 119.800 -0.177 0.000 2.124 71 Q HA -0.101 4.232 4.340 -0.012 0.000 0.202 71 Q C 2.283 178.304 176.000 0.035 0.000 0.977 71 Q CA 1.267 57.044 55.803 -0.043 0.000 0.850 71 Q CB -0.498 28.255 28.738 0.025 0.000 0.901 71 Q HN 0.633 nan 8.270 nan 0.000 0.429 72 Q N -0.258 119.547 119.800 0.009 0.000 2.050 72 Q HA -0.228 4.105 4.340 -0.012 0.000 0.202 72 Q C 2.032 178.117 176.000 0.141 0.000 0.980 72 Q CA 1.624 57.469 55.803 0.071 0.000 0.840 72 Q CB -0.089 28.668 28.738 0.032 0.000 0.898 72 Q HN 0.499 nan 8.270 nan 0.000 0.424 73 H N -0.761 118.284 119.070 -0.041 0.000 2.319 73 H HA -0.203 4.346 4.556 -0.012 0.000 0.299 73 H C 1.422 176.814 175.328 0.106 0.000 1.092 73 H CA 2.360 58.395 56.048 -0.022 0.000 1.302 73 H CB -0.272 29.412 29.762 -0.131 0.000 1.373 73 H HN 0.352 nan 8.280 nan 0.000 0.497 74 Y N -0.987 119.361 120.300 0.081 0.000 2.207 74 Y HA -0.219 4.324 4.550 -0.013 0.000 0.287 74 Y C 2.469 178.397 175.900 0.047 0.000 1.156 74 Y CA 1.122 59.238 58.100 0.027 0.000 1.182 74 Y CB -1.386 37.144 38.460 0.117 0.000 0.979 74 Y HN 0.367 nan 8.280 nan 0.000 0.521 75 Y N 1.164 121.546 120.300 0.136 0.000 2.200 75 Y HA -0.178 4.364 4.550 -0.013 0.000 0.290 75 Y C 2.180 178.088 175.900 0.014 0.000 1.137 75 Y CA 1.770 59.912 58.100 0.069 0.000 1.163 75 Y CB -0.031 38.463 38.460 0.057 0.000 0.988 75 Y HN 0.028 nan 8.280 nan 0.000 0.518 76 E N 0.244 120.475 120.200 0.051 0.000 2.072 76 E HA -0.147 4.196 4.350 -0.012 0.000 0.190 76 E C 1.952 178.478 176.600 -0.123 0.000 0.982 76 E CA 1.184 57.556 56.400 -0.046 0.000 0.803 76 E CB -0.203 29.514 29.700 0.028 0.000 0.755 76 E HN 0.501 nan 8.360 nan 0.000 0.453 77 K N 0.589 120.889 120.400 -0.166 0.000 2.361 77 K HA -0.059 4.254 4.320 -0.012 0.000 0.196 77 K C -0.035 176.495 176.600 -0.117 0.000 1.039 77 K CA 0.318 56.502 56.287 -0.171 0.000 1.001 77 K CB 0.115 32.433 32.500 -0.303 0.000 0.795 77 K HN -0.041 nan 8.250 nan 0.000 0.495 78 D N 1.181 121.519 120.400 -0.103 0.000 2.697 78 D HA -0.102 4.531 4.640 -0.012 0.000 0.235 78 D C -2.426 173.834 176.300 -0.066 0.000 1.167 78 D CA 0.109 54.055 54.000 -0.089 0.000 0.656 78 D CB -0.146 40.573 40.800 -0.135 0.000 1.025 78 D HN 0.172 nan 8.370 nan 0.000 0.419 79 P HA 0.082 nan 4.420 nan 0.000 0.275 79 P C -0.107 177.144 177.300 -0.082 0.000 1.266 79 P CA -0.506 62.552 63.100 -0.070 0.000 0.793 79 P CB 0.566 32.215 31.700 -0.086 0.000 1.074 80 K N 1.065 121.422 120.400 -0.072 0.000 2.451 80 K HA 0.041 4.354 4.320 -0.012 0.000 0.280 80 K C -0.014 176.494 176.600 -0.153 0.000 1.020 80 K CA 0.099 56.337 56.287 -0.082 0.000 1.008 80 K CB 0.159 32.630 32.500 -0.049 0.000 0.917 80 K HN 0.276 nan 8.250 nan 0.000 0.478 81 R N 3.808 124.201 120.500 -0.178 0.000 2.368 81 R HA 0.343 4.676 4.340 -0.012 0.000 0.302 81 R C -0.494 175.521 176.300 -0.475 0.000 1.002 81 R CA -0.681 55.225 56.100 -0.323 0.000 0.929 81 R CB 0.910 31.024 30.300 -0.310 0.000 1.073 81 R HN 0.499 nan 8.270 nan 0.000 0.464 82 I N 4.054 124.283 120.570 -0.569 0.000 2.339 82 I HA 0.211 4.373 4.170 -0.012 0.000 0.290 82 I C -0.693 175.103 176.117 -0.536 0.000 0.994 82 I CA -0.773 60.150 61.300 -0.627 0.000 1.191 82 I CB 0.832 38.336 38.000 -0.827 0.000 1.343 82 I HN 0.533 nan 8.210 nan 0.000 0.458 83 Y N 5.890 126.151 120.300 -0.065 0.000 2.356 83 Y HA 0.292 4.834 4.550 -0.012 0.000 0.334 83 Y C -0.301 175.700 175.900 0.170 0.000 0.958 83 Y CA -0.734 57.448 58.100 0.137 0.000 1.196 83 Y CB 1.181 39.670 38.460 0.048 0.000 1.137 83 Y HN 0.402 nan 8.280 nan 0.000 0.485 84 Y N 4.594 125.073 120.300 0.300 0.000 2.518 84 Y HA 0.477 5.020 4.550 -0.012 0.000 0.344 84 Y C -1.228 174.936 175.900 0.439 0.000 0.982 84 Y CA -0.900 57.386 58.100 0.310 0.000 1.234 84 Y CB 0.274 38.916 38.460 0.304 0.000 1.114 84 Y HN 0.514 nan 8.280 nan 0.000 0.515 85 L N 4.982 126.269 121.223 0.107 0.000 2.265 85 L HA 0.478 4.811 4.340 -0.012 0.000 0.288 85 L C -0.181 176.722 176.870 0.055 0.000 1.058 85 L CA 0.165 55.123 54.840 0.197 0.000 0.809 85 L CB 1.328 43.464 42.059 0.128 0.000 1.179 85 L HN 0.568 nan 8.230 nan 0.000 0.429 86 S N 2.354 118.171 115.700 0.195 0.000 2.541 86 S HA 0.515 4.978 4.470 -0.012 0.000 0.271 86 S C 0.236 174.943 174.600 0.177 0.000 1.133 86 S CA -0.510 57.700 58.200 0.017 0.000 0.876 86 S CB 1.062 64.029 63.200 -0.388 0.000 1.105 86 S HN 0.458 nan 8.310 nan 0.000 0.470 87 L N 2.651 124.004 121.223 0.217 0.000 2.591 87 L HA 0.444 4.777 4.340 -0.012 0.000 0.228 87 L C 0.323 177.398 176.870 0.342 0.000 1.133 87 L CA 0.975 56.010 54.840 0.325 0.000 0.880 87 L CB -0.099 42.161 42.059 0.335 0.000 1.033 87 L HN 0.634 nan 8.230 nan 0.000 0.450 88 E N -1.140 119.132 120.200 0.120 0.000 2.275 88 E HA 0.398 4.741 4.350 -0.012 0.000 0.270 88 E C -1.399 175.086 176.600 -0.191 0.000 0.882 88 E CA -0.405 56.043 56.400 0.080 0.000 0.758 88 E CB 1.814 31.536 29.700 0.036 0.000 1.195 88 E HN -0.159 nan 8.360 nan 0.000 0.419 89 F N 2.306 122.364 119.950 0.180 0.000 2.716 89 F HA 0.184 4.703 4.527 -0.013 0.000 0.354 89 F C -0.834 175.052 175.800 0.144 0.000 1.168 89 F CA -0.774 57.321 58.000 0.157 0.000 1.045 89 F CB 0.995 40.080 39.000 0.141 0.000 1.311 89 F HN 0.481 nan 8.300 nan 0.000 0.477 90 Y N 5.357 125.731 120.300 0.122 0.000 2.714 90 Y HA 0.244 4.787 4.550 -0.012 0.000 0.333 90 Y C 0.813 176.731 175.900 0.030 0.000 1.220 90 Y CA -1.090 57.033 58.100 0.038 0.000 1.513 90 Y CB 0.389 38.852 38.460 0.006 0.000 1.435 90 Y HN 0.552 nan 8.280 nan 0.000 0.489 91 M N 1.582 121.326 119.600 0.239 0.000 2.334 91 M HA 0.139 4.611 4.480 -0.012 0.000 0.266 91 M C 1.565 177.846 176.300 -0.032 0.000 1.082 91 M CA 1.040 56.382 55.300 0.070 0.000 1.141 91 M CB -1.174 31.443 32.600 0.027 0.000 1.380 91 M HN 0.697 nan 8.290 nan 0.000 0.440 92 G N 1.325 110.123 108.800 -0.004 0.000 2.569 92 G HA2 -0.279 3.674 3.960 -0.012 0.000 0.259 92 G HA3 -0.279 3.674 3.960 -0.012 0.000 0.259 92 G C -0.227 174.632 174.900 -0.069 0.000 1.263 92 G CA -0.265 44.791 45.100 -0.072 0.000 0.928 92 G HN 0.442 nan 8.290 nan 0.000 0.572 93 R N -0.679 119.760 120.500 -0.102 0.000 2.531 93 R HA 0.567 4.900 4.340 -0.012 0.000 0.273 93 R C 1.090 177.267 176.300 -0.205 0.000 1.070 93 R CA 0.298 56.344 56.100 -0.090 0.000 1.112 93 R CB 0.722 30.981 30.300 -0.068 0.000 1.049 93 R HN 0.516 nan 8.270 nan 0.000 0.508 94 T N 1.141 115.509 114.554 -0.311 0.000 3.000 94 T HA -0.007 4.336 4.350 -0.012 0.000 0.248 94 T C 1.426 175.712 174.700 -0.690 0.000 1.034 94 T CA -0.115 61.581 62.100 -0.674 0.000 1.060 94 T CB 0.136 68.222 68.868 -1.303 0.000 0.983 94 T HN 0.303 nan 8.240 nan 0.000 0.482 95 L N 1.934 122.972 121.223 -0.309 0.000 1.976 95 L HA -0.022 4.310 4.340 -0.012 0.000 0.209 95 L C 2.476 179.305 176.870 -0.069 0.000 1.071 95 L CA 2.004 56.834 54.840 -0.017 0.000 0.746 95 L CB -0.712 41.562 42.059 0.357 0.000 0.890 95 L HN 0.180 nan 8.230 nan 0.000 0.432 96 Q N -0.760 119.002 119.800 -0.064 0.000 2.084 96 Q HA -0.254 4.078 4.340 -0.012 0.000 0.202 96 Q C 2.237 178.163 176.000 -0.123 0.000 0.978 96 Q CA 1.877 57.637 55.803 -0.072 0.000 0.844 96 Q CB -0.315 28.379 28.738 -0.073 0.000 0.898 96 Q HN 0.692 nan 8.270 nan 0.000 0.426 97 N N -1.013 117.573 118.700 -0.191 0.000 2.104 97 N HA -0.160 4.573 4.740 -0.012 0.000 0.190 97 N C 1.387 176.786 175.510 -0.185 0.000 1.024 97 N CA 1.847 54.774 53.050 -0.204 0.000 0.853 97 N CB 0.038 38.369 38.487 -0.260 0.000 1.008 97 N HN 0.230 nan 8.380 nan 0.000 0.424 98 T N 1.291 115.701 114.554 -0.241 0.000 2.777 98 T HA -0.061 4.281 4.350 -0.012 0.000 0.266 98 T C 2.064 176.702 174.700 -0.104 0.000 1.040 98 T CA 1.097 63.078 62.100 -0.198 0.000 1.141 98 T CB -0.079 68.633 68.868 -0.259 0.000 0.868 98 T HN 0.271 nan 8.240 nan 0.000 0.444 99 M N 0.577 120.132 119.600 -0.075 0.000 2.117 99 M HA -0.092 4.381 4.480 -0.012 0.000 0.262 99 M C 2.474 178.740 176.300 -0.057 0.000 1.065 99 M CA 1.245 56.515 55.300 -0.051 0.000 1.114 99 M CB -0.662 31.924 32.600 -0.023 0.000 1.361 99 M HN 0.101 nan 8.290 nan 0.000 0.408 100 V N 0.981 120.866 119.914 -0.048 0.000 2.255 100 V HA -0.278 3.834 4.120 -0.012 0.000 0.247 100 V C 1.761 177.863 176.094 0.013 0.000 1.051 100 V CA 2.004 64.302 62.300 -0.004 0.000 1.018 100 V CB -0.878 30.945 31.823 0.000 0.000 0.641 100 V HN 0.474 nan 8.190 nan 0.000 0.445 101 N N -0.384 118.309 118.700 -0.012 0.000 2.459 101 N HA -0.038 4.695 4.740 -0.012 0.000 0.181 101 N C 1.051 176.464 175.510 -0.162 0.000 1.046 101 N CA 0.664 53.689 53.050 -0.042 0.000 0.904 101 N CB -0.079 38.392 38.487 -0.027 0.000 0.964 101 N HN 0.280 nan 8.380 nan 0.000 0.444 102 L N -0.325 120.820 121.223 -0.130 0.000 2.640 102 L HA 0.407 4.740 4.340 -0.012 0.000 0.230 102 L C 0.610 177.394 176.870 -0.143 0.000 1.123 102 L CA -0.249 54.512 54.840 -0.131 0.000 0.900 102 L CB -0.768 41.235 42.059 -0.092 0.000 1.146 102 L HN 0.099 nan 8.230 nan 0.000 0.484 103 A N -0.558 122.175 122.820 -0.146 0.000 2.869 103 A HA -0.215 4.097 4.320 -0.012 0.000 0.280 103 A C 1.070 178.598 177.584 -0.094 0.000 1.458 103 A CA 0.935 52.900 52.037 -0.119 0.000 0.776 103 A CB -1.950 16.966 19.000 -0.139 0.000 1.028 103 A HN 0.205 nan 8.150 nan 0.000 0.547 104 L N -0.735 120.431 121.223 -0.094 0.000 2.693 104 L HA 0.247 4.579 4.340 -0.012 0.000 0.235 104 L C 1.830 178.664 176.870 -0.060 0.000 1.127 104 L CA 1.565 56.345 54.840 -0.100 0.000 0.914 104 L CB -0.369 41.601 42.059 -0.149 0.000 1.193 104 L HN 0.642 nan 8.230 nan 0.000 0.502 105 E N -0.177 119.997 120.200 -0.043 0.000 2.031 105 E HA -0.226 4.117 4.350 -0.012 0.000 0.193 105 E C 1.607 178.195 176.600 -0.020 0.000 0.994 105 E CA 1.331 57.717 56.400 -0.024 0.000 0.800 105 E CB 0.286 29.974 29.700 -0.019 0.000 0.752 105 E HN 0.393 nan 8.360 nan 0.000 0.447 106 N N 0.126 118.811 118.700 -0.025 0.000 2.142 106 N HA -0.127 4.606 4.740 -0.012 0.000 0.186 106 N C 1.585 177.082 175.510 -0.021 0.000 1.023 106 N CA 1.247 54.283 53.050 -0.024 0.000 0.852 106 N CB -0.400 38.072 38.487 -0.025 0.000 0.998 106 N HN 0.222 nan 8.380 nan 0.000 0.424 107 A N 0.434 123.239 122.820 -0.024 0.000 1.877 107 A HA -0.154 4.158 4.320 -0.012 0.000 0.216 107 A C 2.678 180.257 177.584 -0.008 0.000 1.186 107 A CA 1.409 53.435 52.037 -0.018 0.000 0.620 107 A CB -1.027 17.954 19.000 -0.032 0.000 0.822 107 A HN 0.444 nan 8.150 nan 0.000 0.443 108 C N -0.918 118.376 119.300 -0.009 0.000 2.440 108 C HA -0.065 4.387 4.460 -0.012 0.000 0.278 108 C C 2.486 177.480 174.990 0.007 0.000 1.295 108 C CA 1.073 60.097 59.018 0.010 0.000 1.738 108 C CB -1.106 26.651 27.740 0.028 0.000 1.987 108 C HN 0.688 nan 8.230 nan 0.000 0.492 109 D N 0.710 121.113 120.400 0.004 0.000 2.104 109 D HA -0.149 4.483 4.640 -0.012 0.000 0.194 109 D C 2.117 178.431 176.300 0.023 0.000 0.994 109 D CA 1.578 55.582 54.000 0.006 0.000 0.830 109 D CB -0.286 40.506 40.800 -0.014 0.000 0.959 109 D HN 0.461 nan 8.370 nan 0.000 0.452 110 E N 0.324 120.532 120.200 0.014 0.000 2.051 110 E HA -0.088 4.254 4.350 -0.012 0.000 0.192 110 E C 1.894 178.532 176.600 0.064 0.000 0.991 110 E CA 1.720 58.149 56.400 0.048 0.000 0.799 110 E CB -0.624 29.089 29.700 0.021 0.000 0.748 110 E HN 0.217 nan 8.360 nan 0.000 0.449 111 A N -0.165 122.661 122.820 0.010 0.000 1.908 111 A HA -0.221 4.092 4.320 -0.012 0.000 0.218 111 A C 2.497 180.011 177.584 -0.116 0.000 1.181 111 A CA 2.930 54.947 52.037 -0.033 0.000 0.627 111 A CB -1.441 17.546 19.000 -0.023 0.000 0.818 111 A HN 0.531 nan 8.150 nan 0.000 0.445 112 T N -3.842 110.638 114.554 -0.124 0.000 2.857 112 T HA -0.193 4.150 4.350 -0.012 0.000 0.266 112 T C 1.859 176.479 174.700 -0.132 0.000 1.048 112 T CA 1.452 63.416 62.100 -0.227 0.000 1.139 112 T CB -0.618 68.151 68.868 -0.164 0.000 0.874 112 T HN 0.433 nan 8.240 nan 0.000 0.455 113 Y N 2.306 122.527 120.300 -0.132 0.000 2.114 113 Y HA -0.176 4.367 4.550 -0.012 0.000 0.282 113 Y C 2.662 178.501 175.900 -0.101 0.000 1.165 113 Y CA 1.784 59.826 58.100 -0.098 0.000 1.148 113 Y CB -0.625 37.797 38.460 -0.063 0.000 0.972 113 Y HN 0.261 nan 8.280 nan 0.000 0.504 114 Q N -1.039 118.684 119.800 -0.128 0.000 2.226 114 Q HA -0.141 4.191 4.340 -0.012 0.000 0.204 114 Q C 1.517 177.386 176.000 -0.218 0.000 0.975 114 Q CA 0.977 56.666 55.803 -0.190 0.000 0.866 114 Q CB -0.101 28.601 28.738 -0.060 0.000 0.915 114 Q HN 0.353 nan 8.270 nan 0.000 0.440 115 L N -1.039 120.041 121.223 -0.238 0.000 2.591 115 L HA 0.150 4.482 4.340 -0.012 0.000 0.228 115 L C 1.120 177.828 176.870 -0.270 0.000 1.133 115 L CA 1.194 55.880 54.840 -0.257 0.000 0.880 115 L CB -0.268 41.560 42.059 -0.385 0.000 1.033 115 L HN 0.309 nan 8.230 nan 0.000 0.450 116 G N -0.230 108.395 108.800 -0.291 0.000 2.149 116 G HA2 -0.239 3.713 3.960 -0.012 0.000 0.235 116 G HA3 -0.239 3.713 3.960 -0.012 0.000 0.235 116 G C 0.066 174.833 174.900 -0.222 0.000 1.018 116 G CA 0.206 45.148 45.100 -0.263 0.000 0.728 116 G HN 0.274 nan 8.290 nan 0.000 0.508 117 L N -0.144 120.947 121.223 -0.220 0.000 2.354 117 L HA 0.599 4.932 4.340 -0.012 0.000 0.269 117 L C -0.589 176.252 176.870 -0.047 0.000 1.005 117 L CA -1.173 53.565 54.840 -0.169 0.000 0.819 117 L CB 1.890 43.784 42.059 -0.276 0.000 1.311 117 L HN 0.084 nan 8.230 nan 0.000 0.423 118 D N 2.161 122.561 120.400 0.001 0.000 2.359 118 D HA 0.170 4.803 4.640 -0.012 0.000 0.230 118 D C 0.615 176.946 176.300 0.052 0.000 1.118 118 D CA -0.211 53.818 54.000 0.048 0.000 0.844 118 D CB 1.531 42.365 40.800 0.056 0.000 1.059 118 D HN 0.501 nan 8.370 nan 0.000 0.493 119 M N 3.178 122.810 119.600 0.053 0.000 2.213 119 M HA -0.130 4.342 4.480 -0.012 0.000 0.263 119 M C 1.281 177.627 176.300 0.076 0.000 1.062 119 M CA 1.482 56.822 55.300 0.067 0.000 1.105 119 M CB 0.222 32.854 32.600 0.054 0.000 1.385 119 M HN 0.417 nan 8.290 nan 0.000 0.417 120 E N -0.204 120.031 120.200 0.059 0.000 2.150 120 E HA -0.246 4.096 4.350 -0.012 0.000 0.193 120 E C 1.831 178.468 176.600 0.061 0.000 0.985 120 E CA 1.313 57.745 56.400 0.053 0.000 0.814 120 E CB -0.140 29.587 29.700 0.044 0.000 0.752 120 E HN 0.638 nan 8.360 nan 0.000 0.466 121 E N 0.531 120.772 120.200 0.068 0.000 2.072 121 E HA -0.195 4.148 4.350 -0.012 0.000 0.191 121 E C 1.932 178.581 176.600 0.082 0.000 0.985 121 E CA 0.585 57.028 56.400 0.072 0.000 0.801 121 E CB 0.169 29.912 29.700 0.072 0.000 0.750 121 E HN 0.075 nan 8.360 nan 0.000 0.452 122 L N 1.538 122.831 121.223 0.116 0.000 2.083 122 L HA -0.162 4.171 4.340 -0.012 0.000 0.209 122 L C 2.099 179.050 176.870 0.134 0.000 1.083 122 L CA 1.679 56.624 54.840 0.175 0.000 0.752 122 L CB -0.805 41.404 42.059 0.248 0.000 0.899 122 L HN 0.166 nan 8.230 nan 0.000 0.433 123 E N -0.749 119.515 120.200 0.107 0.000 2.153 123 E HA -0.196 4.147 4.350 -0.012 0.000 0.194 123 E C 1.832 178.412 176.600 -0.034 0.000 0.988 123 E CA 0.764 57.201 56.400 0.061 0.000 0.811 123 E CB 0.023 29.757 29.700 0.056 0.000 0.746 123 E HN 0.399 nan 8.360 nan 0.000 0.466 124 E N 0.230 120.421 120.200 -0.016 0.000 2.409 124 E HA -0.105 4.237 4.350 -0.012 0.000 0.198 124 E C 1.809 178.360 176.600 -0.082 0.000 1.024 124 E CA 0.538 56.927 56.400 -0.019 0.000 0.861 124 E CB 0.044 29.766 29.700 0.035 0.000 0.788 124 E HN 0.412 nan 8.360 nan 0.000 0.521 125 I N 0.708 121.167 120.570 -0.185 0.000 2.617 125 I HA -0.095 4.067 4.170 -0.012 0.000 0.256 125 I C 1.344 177.168 176.117 -0.488 0.000 1.167 125 I CA 0.218 61.340 61.300 -0.296 0.000 1.469 125 I CB 0.117 37.941 38.000 -0.292 0.000 1.098 125 I HN -0.036 nan 8.210 nan 0.000 0.436 126 E N 2.828 122.633 120.200 -0.660 0.000 2.376 126 E HA -0.026 4.316 4.350 -0.012 0.000 0.266 126 E C -0.268 176.264 176.600 -0.114 0.000 1.009 126 E CA -0.278 55.803 56.400 -0.532 0.000 0.902 126 E CB 0.619 30.145 29.700 -0.291 0.000 0.972 126 E HN 0.113 nan 8.360 nan 0.000 0.439 127 E N 3.592 123.822 120.200 0.049 0.000 2.373 127 E HA 0.053 4.395 4.350 -0.012 0.000 0.267 127 E C -0.685 176.022 176.600 0.178 0.000 1.032 127 E CA -0.216 56.286 56.400 0.171 0.000 0.889 127 E CB 0.543 30.434 29.700 0.320 0.000 0.984 127 E HN 0.462 nan 8.360 nan 0.000 0.425 128 D N 0.933 121.405 120.400 0.120 0.000 2.488 128 D HA 0.135 4.768 4.640 -0.012 0.000 0.238 128 D C -0.245 176.080 176.300 0.041 0.000 1.138 128 D CA 0.243 54.288 54.000 0.075 0.000 0.873 128 D CB 0.502 41.337 40.800 0.058 0.000 1.183 128 D HN 0.414 nan 8.370 nan 0.000 0.458 129 A N 2.421 125.212 122.820 -0.048 0.000 2.539 129 A HA 0.471 4.784 4.320 -0.012 0.000 0.306 129 A C 1.033 178.438 177.584 -0.298 0.000 1.392 129 A CA -0.361 51.417 52.037 -0.433 0.000 1.060 129 A CB -0.216 18.612 19.000 -0.288 0.000 1.134 129 A HN 0.545 nan 8.150 nan 0.000 0.542 130 G N 2.276 110.828 108.800 -0.414 0.000 3.943 130 G HA2 0.425 4.377 3.960 -0.012 0.000 0.275 130 G HA3 0.425 4.377 3.960 -0.012 0.000 0.275 130 G C 0.285 174.898 174.900 -0.478 0.000 1.234 130 G CA -0.307 44.617 45.100 -0.294 0.000 1.522 130 G HN 0.695 nan 8.290 nan 0.000 0.636 131 L N 1.304 122.321 121.223 -0.343 0.000 2.862 131 L HA 0.389 4.722 4.340 -0.012 0.000 0.240 131 L C 1.028 177.821 176.870 -0.129 0.000 1.283 131 L CA -0.186 54.572 54.840 -0.137 0.000 1.117 131 L CB -0.320 41.788 42.059 0.082 0.000 1.444 131 L HN 0.339 nan 8.230 nan 0.000 0.456 132 G N -1.298 107.200 108.800 -0.503 0.000 2.623 132 G HA2 0.185 4.137 3.960 -0.012 0.000 0.290 132 G HA3 0.185 4.137 3.960 -0.012 0.000 0.290 132 G C -0.185 174.326 174.900 -0.648 0.000 1.437 132 G CA -0.454 44.387 45.100 -0.432 0.000 0.798 132 G HN -0.103 nan 8.290 nan 0.000 0.488 133 N N -0.849 117.695 118.700 -0.260 0.000 2.436 133 N HA 0.211 4.943 4.740 -0.012 0.000 0.178 133 N C 1.159 176.714 175.510 0.075 0.000 1.026 133 N CA 1.330 54.306 53.050 -0.123 0.000 0.880 133 N CB 1.184 39.679 38.487 0.014 0.000 1.061 133 N HN 0.819 nan 8.380 nan 0.000 0.434 134 G N -0.724 108.190 108.800 0.190 0.000 2.947 134 G HA2 0.218 4.170 3.960 -0.012 0.000 0.115 134 G HA3 0.218 4.170 3.960 -0.012 0.000 0.115 134 G C 0.723 175.741 174.900 0.195 0.000 1.214 134 G CA 0.268 45.526 45.100 0.265 0.000 1.324 134 G HN 0.167 nan 8.290 nan 0.000 0.645 135 G N 0.417 109.281 108.800 0.106 0.000 2.446 135 G HA2 -0.073 3.879 3.960 -0.012 0.000 0.217 135 G HA3 -0.073 3.879 3.960 -0.012 0.000 0.217 135 G C 1.882 176.772 174.900 -0.016 0.000 1.168 135 G CA 1.490 46.612 45.100 0.036 0.000 0.771 135 G HN 0.794 nan 8.290 nan 0.000 0.551 136 L N 0.605 121.796 121.223 -0.053 0.000 2.046 136 L HA 0.095 4.428 4.340 -0.012 0.000 0.208 136 L C 2.808 179.602 176.870 -0.126 0.000 1.077 136 L CA 1.993 56.709 54.840 -0.206 0.000 0.747 136 L CB -0.606 41.277 42.059 -0.292 0.000 0.896 136 L HN 0.231 nan 8.230 nan 0.000 0.432 137 G N -0.480 108.315 108.800 -0.009 0.000 2.422 137 G HA2 -0.317 3.635 3.960 -0.012 0.000 0.218 137 G HA3 -0.317 3.635 3.960 -0.012 0.000 0.218 137 G C 1.646 176.615 174.900 0.115 0.000 1.146 137 G CA 0.755 45.883 45.100 0.045 0.000 0.769 137 G HN 0.315 nan 8.290 nan 0.000 0.547 138 R N -0.039 120.543 120.500 0.137 0.000 2.115 138 R HA 0.153 4.486 4.340 -0.012 0.000 0.226 138 R C 2.300 178.598 176.300 -0.004 0.000 1.100 138 R CA 0.726 56.878 56.100 0.086 0.000 0.980 138 R CB -0.851 29.459 30.300 0.017 0.000 0.875 138 R HN 0.333 nan 8.270 nan 0.000 0.445 139 L N 0.207 121.359 121.223 -0.118 0.000 2.017 139 L HA -0.005 4.328 4.340 -0.012 0.000 0.208 139 L C 2.095 178.674 176.870 -0.486 0.000 1.073 139 L CA 2.166 56.792 54.840 -0.357 0.000 0.745 139 L CB -0.889 40.921 42.059 -0.416 0.000 0.894 139 L HN 0.249 nan 8.230 nan 0.000 0.432 140 A N -0.523 122.147 122.820 -0.251 0.000 1.917 140 A HA -0.221 4.091 4.320 -0.012 0.000 0.219 140 A C 2.440 180.072 177.584 0.081 0.000 1.182 140 A CA 2.150 54.112 52.037 -0.125 0.000 0.633 140 A CB -1.220 17.652 19.000 -0.214 0.000 0.819 140 A HN 0.589 nan 8.150 nan 0.000 0.448 141 A N -1.193 121.711 122.820 0.141 0.000 1.873 141 A HA -0.136 4.177 4.320 -0.012 0.000 0.215 141 A C 2.326 179.984 177.584 0.124 0.000 1.186 141 A CA 1.600 53.746 52.037 0.182 0.000 0.616 141 A CB -1.271 17.824 19.000 0.159 0.000 0.823 141 A HN 0.607 nan 8.150 nan 0.000 0.442 142 C N -1.419 117.954 119.300 0.120 0.000 2.429 142 C HA -0.084 4.368 4.460 -0.012 0.000 0.277 142 C C 2.435 177.590 174.990 0.276 0.000 1.262 142 C CA 0.704 59.834 59.018 0.188 0.000 1.733 142 C CB -1.634 26.239 27.740 0.222 0.000 2.010 142 C HN 0.603 nan 8.230 nan 0.000 0.483 143 F N 1.202 121.136 119.950 -0.027 0.000 2.126 143 F HA -0.090 4.429 4.527 -0.013 0.000 0.299 143 F C 2.256 177.993 175.800 -0.105 0.000 1.096 143 F CA 1.062 58.992 58.000 -0.115 0.000 1.255 143 F CB -1.399 37.395 39.000 -0.344 0.000 0.997 143 F HN 0.197 nan 8.300 nan 0.000 0.479 144 L N -0.380 120.912 121.223 0.115 0.000 2.042 144 L HA -0.260 4.072 4.340 -0.012 0.000 0.210 144 L C 2.174 179.053 176.870 0.016 0.000 1.076 144 L CA 2.016 56.880 54.840 0.041 0.000 0.749 144 L CB -0.829 41.259 42.059 0.047 0.000 0.893 144 L HN 0.114 nan 8.230 nan 0.000 0.432 145 D N -0.467 119.953 120.400 0.033 0.000 2.104 145 D HA -0.179 4.454 4.640 -0.012 0.000 0.194 145 D C 2.193 178.508 176.300 0.025 0.000 0.994 145 D CA 1.527 55.533 54.000 0.010 0.000 0.830 145 D CB 0.198 41.002 40.800 0.006 0.000 0.959 145 D HN 0.094 nan 8.370 nan 0.000 0.452 146 S N -0.727 115.006 115.700 0.054 0.000 2.383 146 S HA -0.104 4.359 4.470 -0.012 0.000 0.227 146 S C 1.981 176.593 174.600 0.021 0.000 1.026 146 S CA 0.842 59.066 58.200 0.040 0.000 0.981 146 S CB -0.216 63.014 63.200 0.050 0.000 0.818 146 S HN 0.344 nan 8.310 nan 0.000 0.472 147 M N 0.967 120.572 119.600 0.009 0.000 2.159 147 M HA -0.098 4.374 4.480 -0.012 0.000 0.263 147 M C 2.441 178.742 176.300 0.001 0.000 1.063 147 M CA 1.426 56.727 55.300 0.002 0.000 1.110 147 M CB -0.493 32.087 32.600 -0.033 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.362 122.454 122.820 -0.006 0.000 1.897 148 A HA -0.110 4.202 4.320 -0.012 0.000 0.215 148 A C 2.158 179.755 177.584 0.021 0.000 1.181 148 A CA 1.944 53.981 52.037 -0.000 0.000 0.620 148 A CB -1.008 17.973 19.000 -0.031 0.000 0.821 148 A HN 0.415 nan 8.150 nan 0.000 0.443 149 T N 0.239 114.811 114.554 0.029 0.000 2.867 149 T HA 0.015 4.358 4.350 -0.012 0.000 0.268 149 T C 1.325 176.054 174.700 0.048 0.000 1.057 149 T CA 1.084 63.215 62.100 0.052 0.000 1.136 149 T CB -0.249 68.657 68.868 0.064 0.000 0.874 149 T HN 0.341 nan 8.240 nan 0.000 0.466 150 L N 0.379 121.627 121.223 0.042 0.000 2.653 150 L HA 0.312 4.645 4.340 -0.012 0.000 0.231 150 L C 1.610 178.512 176.870 0.053 0.000 1.153 150 L CA -0.062 54.805 54.840 0.045 0.000 0.933 150 L CB -0.292 41.794 42.059 0.045 0.000 1.175 150 L HN 0.396 nan 8.230 nan 0.000 0.473 151 G N 1.072 109.907 108.800 0.058 0.000 2.221 151 G HA2 -0.281 3.672 3.960 -0.012 0.000 0.265 151 G HA3 -0.281 3.672 3.960 -0.012 0.000 0.265 151 G C 0.103 175.057 174.900 0.090 0.000 1.041 151 G CA -0.011 45.142 45.100 0.088 0.000 0.807 151 G HN 0.269 nan 8.290 nan 0.000 0.502 152 L N -0.057 121.187 121.223 0.035 0.000 2.350 152 L HA 0.601 4.934 4.340 -0.012 0.000 0.275 152 L C 1.244 178.001 176.870 -0.189 0.000 1.099 152 L CA -0.331 54.482 54.840 -0.046 0.000 0.808 152 L CB 1.546 43.587 42.059 -0.030 0.000 1.149 152 L HN 0.271 nan 8.230 nan 0.000 0.442 153 A N 3.146 125.712 122.820 -0.424 0.000 2.981 153 A HA 0.547 4.859 4.320 -0.012 0.000 0.280 153 A C 0.274 177.492 177.584 -0.610 0.000 1.743 153 A CA -0.127 51.352 52.037 -0.929 0.000 1.430 153 A CB -0.673 17.675 19.000 -1.087 0.000 1.085 153 A HN 0.695 nan 8.150 nan 0.000 0.597 154 A N 1.650 124.157 122.820 -0.521 0.000 2.350 154 A HA 0.790 5.103 4.320 -0.012 0.000 0.324 154 A C -1.041 176.263 177.584 -0.467 0.000 1.118 154 A CA -0.471 51.332 52.037 -0.390 0.000 0.783 154 A CB 0.828 19.675 19.000 -0.255 0.000 1.236 154 A HN 0.615 nan 8.150 nan 0.000 0.457 155 Y N 0.387 120.614 120.300 -0.123 0.000 2.391 155 Y HA 0.553 5.096 4.550 -0.012 0.000 0.341 155 Y C 0.866 176.858 175.900 0.152 0.000 0.965 155 Y CA -0.569 57.543 58.100 0.020 0.000 1.067 155 Y CB 2.455 41.028 38.460 0.188 0.000 1.199 155 Y HN 0.827 nan 8.280 nan 0.000 0.450 156 G N 2.062 110.950 108.800 0.146 0.000 2.338 156 G HA2 0.465 4.417 3.960 -0.012 0.000 0.298 156 G HA3 0.465 4.417 3.960 -0.012 0.000 0.298 156 G C -1.809 173.107 174.900 0.026 0.000 1.140 156 G CA -0.280 44.939 45.100 0.199 0.000 0.860 156 G HN 0.530 nan 8.290 nan 0.000 0.470 157 Y N 1.006 121.533 120.300 0.378 0.000 2.361 157 Y HA 0.624 5.166 4.550 -0.013 0.000 0.337 157 Y C 0.745 176.954 175.900 0.516 0.000 0.965 157 Y CA 0.193 58.486 58.100 0.321 0.000 1.091 157 Y CB 2.667 41.342 38.460 0.359 0.000 1.182 157 Y HN 0.879 nan 8.280 nan 0.000 0.450 158 G N 2.354 111.476 108.800 0.537 0.000 2.772 158 G HA2 0.584 4.537 3.960 -0.012 0.000 0.284 158 G HA3 0.584 4.537 3.960 -0.012 0.000 0.284 158 G C -1.713 173.429 174.900 0.402 0.000 1.217 158 G CA -0.807 44.637 45.100 0.574 0.000 0.831 158 G HN 0.419 nan 8.290 nan 0.000 0.523 159 I N 0.616 121.315 120.570 0.216 0.000 2.441 159 I HA 0.428 4.590 4.170 -0.012 0.000 0.295 159 I C 0.304 176.333 176.117 -0.147 0.000 0.994 159 I CA -0.717 60.595 61.300 0.020 0.000 1.144 159 I CB 2.232 40.048 38.000 -0.306 0.000 1.314 159 I HN 0.354 nan 8.210 nan 0.000 0.445 160 R N 6.128 126.643 120.500 0.024 0.000 2.612 160 R HA 0.208 4.540 4.340 -0.012 0.000 0.273 160 R C -1.221 175.129 176.300 0.084 0.000 1.376 160 R CA -0.410 55.734 56.100 0.073 0.000 1.171 160 R CB -0.102 30.218 30.300 0.034 0.000 1.151 160 R HN 0.395 nan 8.270 nan 0.000 0.560 161 Y N 1.495 121.961 120.300 0.278 0.000 2.526 161 Y HA -0.090 4.452 4.550 -0.013 0.000 0.330 161 Y C 1.585 177.675 175.900 0.317 0.000 1.156 161 Y CA 0.110 58.364 58.100 0.258 0.000 1.419 161 Y CB 0.755 39.343 38.460 0.213 0.000 1.250 161 Y HN 0.588 nan 8.280 nan 0.000 0.540 162 E N 2.129 122.523 120.200 0.323 0.000 2.150 162 E HA -0.080 4.263 4.350 -0.012 0.000 0.193 162 E C -0.726 175.768 176.600 -0.178 0.000 0.985 162 E CA 0.751 57.148 56.400 -0.005 0.000 0.814 162 E CB 0.166 29.797 29.700 -0.115 0.000 0.752 162 E HN 0.498 nan 8.360 nan 0.000 0.466 163 F N -0.356 119.806 119.950 0.353 0.000 2.477 163 F HA 0.450 4.970 4.527 -0.013 0.000 0.335 163 F C 0.769 176.660 175.800 0.152 0.000 1.130 163 F CA -0.805 57.360 58.000 0.275 0.000 0.948 163 F CB 1.894 40.983 39.000 0.148 0.000 1.154 163 F HN -0.104 nan 8.300 nan 0.000 0.439 164 G N 1.829 110.736 108.800 0.179 0.000 2.531 164 G HA2 0.363 4.315 3.960 -0.012 0.000 0.253 164 G HA3 0.363 4.315 3.960 -0.012 0.000 0.253 164 G C -0.556 174.292 174.900 -0.087 0.000 1.439 164 G CA -0.698 44.344 45.100 -0.097 0.000 1.056 164 G HN 0.537 nan 8.290 nan 0.000 0.555 165 I N 0.974 121.405 120.570 -0.232 0.000 2.752 165 I HA 0.186 4.349 4.170 -0.012 0.000 0.289 165 I C 0.546 176.554 176.117 -0.182 0.000 1.197 165 I CA -1.139 59.996 61.300 -0.276 0.000 1.432 165 I CB -0.368 37.362 38.000 -0.450 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.193 126.149 119.950 0.010 0.000 2.628 166 F HA 0.222 4.742 4.527 -0.012 0.000 0.362 166 F C 0.594 176.441 175.800 0.078 0.000 1.148 166 F CA -0.591 57.440 58.000 0.050 0.000 1.352 166 F CB -0.409 38.610 39.000 0.032 0.000 1.081 166 F HN 0.424 nan 8.300 nan 0.000 0.605 167 N N 2.400 121.268 118.700 0.280 0.000 2.497 167 N HA 0.027 4.760 4.740 -0.012 0.000 0.268 167 N C -0.710 175.031 175.510 0.385 0.000 1.171 167 N CA -0.215 52.979 53.050 0.240 0.000 0.948 167 N CB 1.070 39.682 38.487 0.209 0.000 1.069 167 N HN 0.761 nan 8.380 nan 0.000 0.460 168 Q N 2.419 122.419 119.800 0.334 0.000 2.303 168 Q HA 0.169 4.502 4.340 -0.012 0.000 0.257 168 Q C -0.941 175.223 176.000 0.274 0.000 0.941 168 Q CA -0.454 55.578 55.803 0.380 0.000 0.931 168 Q CB 0.720 29.689 28.738 0.384 0.000 1.215 168 Q HN 0.233 nan 8.270 nan 0.000 0.437 169 K N 4.105 124.643 120.400 0.229 0.000 2.207 169 K HA 0.457 4.769 4.320 -0.012 0.000 0.255 169 K C -0.587 176.109 176.600 0.160 0.000 0.941 169 K CA -0.884 55.514 56.287 0.186 0.000 0.825 169 K CB 1.502 34.090 32.500 0.147 0.000 1.119 169 K HN 0.626 nan 8.250 nan 0.000 0.430 170 I N 1.986 122.642 120.570 0.143 0.000 2.312 170 I HA 0.152 4.314 4.170 -0.012 0.000 0.290 170 I C -0.041 176.129 176.117 0.088 0.000 1.008 170 I CA -0.756 60.597 61.300 0.089 0.000 1.226 170 I CB 0.841 38.872 38.000 0.051 0.000 1.371 170 I HN 0.471 nan 8.210 nan 0.000 0.468 171 C N 5.341 124.704 119.300 0.105 0.000 2.316 171 C HA 0.640 5.093 4.460 -0.012 0.000 0.324 171 C C 1.168 176.255 174.990 0.161 0.000 1.226 171 C CA 0.261 59.346 59.018 0.112 0.000 1.450 171 C CB -0.198 27.603 27.740 0.102 0.000 2.123 171 C HN 1.108 nan 8.230 nan 0.000 0.454 172 G N 4.136 113.004 108.800 0.113 0.000 2.249 172 G HA2 0.089 4.042 3.960 -0.012 0.000 0.273 172 G HA3 0.089 4.042 3.960 -0.012 0.000 0.273 172 G C 1.221 176.136 174.900 0.026 0.000 1.036 172 G CA 1.162 46.337 45.100 0.125 0.000 0.824 172 G HN 2.607 nan 8.290 nan 0.000 0.504 173 G N -2.856 105.897 108.800 -0.077 0.000 2.205 173 G HA2 -0.298 3.655 3.960 -0.012 0.000 0.261 173 G HA3 -0.298 3.655 3.960 -0.012 0.000 0.261 173 G C 0.374 175.026 174.900 -0.415 0.000 0.980 173 G CA 0.641 45.568 45.100 -0.288 0.000 0.632 173 G HN 1.196 nan 8.290 nan 0.000 0.533 174 W N 0.990 122.234 121.300 -0.094 0.000 2.496 174 W HA 0.649 5.302 4.660 -0.012 0.000 0.327 174 W C 0.666 177.130 176.519 -0.092 0.000 1.086 174 W CA -0.891 56.394 57.345 -0.100 0.000 1.222 174 W CB 0.863 30.282 29.460 -0.068 0.000 1.304 174 W HN 0.249 nan 8.180 nan 0.000 0.547 175 Q N 3.503 123.395 119.800 0.152 0.000 2.289 175 Q HA 0.161 4.494 4.340 -0.012 0.000 0.273 175 Q C -0.503 175.555 176.000 0.096 0.000 1.029 175 Q CA 0.239 56.105 55.803 0.105 0.000 0.896 175 Q CB 0.490 29.283 28.738 0.091 0.000 1.182 175 Q HN 0.317 nan 8.270 nan 0.000 0.385 176 M N 3.132 122.783 119.600 0.084 0.000 2.528 176 M HA 0.399 4.871 4.480 -0.012 0.000 0.321 176 M C -0.985 175.328 176.300 0.020 0.000 1.153 176 M CA -0.686 54.632 55.300 0.029 0.000 0.951 176 M CB 1.741 34.369 32.600 0.047 0.000 1.705 176 M HN 0.584 nan 8.290 nan 0.000 0.451 177 E N 1.517 121.664 120.200 -0.089 0.000 2.179 177 E HA 0.454 4.796 4.350 -0.012 0.000 0.275 177 E C -0.811 175.790 176.600 0.001 0.000 0.945 177 E CA -0.590 55.732 56.400 -0.129 0.000 0.792 177 E CB 1.658 31.014 29.700 -0.573 0.000 1.125 177 E HN 0.513 nan 8.360 nan 0.000 0.397 178 E N 0.939 121.217 120.200 0.131 0.000 2.288 178 E HA 0.734 5.077 4.350 -0.012 0.000 0.268 178 E C -0.978 175.721 176.600 0.165 0.000 0.885 178 E CA -1.561 54.905 56.400 0.110 0.000 0.767 178 E CB 1.482 31.248 29.700 0.109 0.000 1.220 178 E HN 0.445 nan 8.360 nan 0.000 0.427 179 A N 2.001 124.883 122.820 0.103 0.000 2.546 179 A HA 0.031 4.344 4.320 -0.012 0.000 0.243 179 A C -0.103 177.667 177.584 0.310 0.000 1.063 179 A CA 0.233 52.356 52.037 0.144 0.000 0.757 179 A CB -0.098 18.874 19.000 -0.047 0.000 0.991 179 A HN 0.700 nan 8.150 nan 0.000 0.503 180 D N 1.826 122.471 120.400 0.408 0.000 2.494 180 D HA 0.192 4.825 4.640 -0.012 0.000 0.217 180 D C -0.457 176.123 176.300 0.465 0.000 1.153 180 D CA -0.200 54.020 54.000 0.367 0.000 0.954 180 D CB 0.338 41.288 40.800 0.250 0.000 1.034 180 D HN 0.374 nan 8.370 nan 0.000 0.518 181 D N 3.786 124.408 120.400 0.369 0.000 2.688 181 D HA -0.017 4.616 4.640 -0.012 0.000 0.228 181 D C 1.094 177.428 176.300 0.057 0.000 1.116 181 D CA -0.555 53.529 54.000 0.140 0.000 1.023 181 D CB -0.177 40.730 40.800 0.179 0.000 1.100 181 D HN 0.564 nan 8.370 nan 0.000 0.487 182 W N 1.866 123.123 121.300 -0.071 0.000 2.595 182 W HA -0.009 4.643 4.660 -0.012 0.000 0.257 182 W C 0.106 176.622 176.519 -0.005 0.000 1.267 182 W CA 0.065 57.410 57.345 0.001 0.000 1.300 182 W CB -0.672 28.812 29.460 0.041 0.000 1.120 182 W HN 0.165 nan 8.180 nan 0.000 0.618 183 L N 1.039 121.809 121.223 -0.755 0.000 2.607 183 L HA 0.200 4.532 4.340 -0.012 0.000 0.228 183 L C 2.744 179.379 176.870 -0.391 0.000 1.123 183 L CA -0.024 54.371 54.840 -0.742 0.000 0.890 183 L CB -0.610 40.913 42.059 -0.894 0.000 1.103 183 L HN -0.113 nan 8.230 nan 0.000 0.468 184 R N 0.462 120.745 120.500 -0.361 0.000 2.103 184 R HA -0.216 4.116 4.340 -0.012 0.000 0.242 184 R C 1.319 177.383 176.300 -0.394 0.000 1.142 184 R CA 1.986 57.832 56.100 -0.423 0.000 0.960 184 R CB -0.100 29.845 30.300 -0.591 0.000 0.858 184 R HN 0.309 nan 8.270 nan 0.000 0.439 185 Y N -0.646 119.663 120.300 0.016 0.000 2.457 185 Y HA 0.365 4.907 4.550 -0.013 0.000 0.263 185 Y C 0.824 176.713 175.900 -0.018 0.000 1.164 185 Y CA 0.341 58.471 58.100 0.051 0.000 1.274 185 Y CB 0.618 39.221 38.460 0.240 0.000 1.097 185 Y HN 0.346 nan 8.280 nan 0.000 0.523 186 G N 1.324 110.150 108.800 0.044 0.000 2.692 186 G HA2 -0.208 3.745 3.960 -0.012 0.000 0.686 186 G HA3 -0.208 3.745 3.960 -0.012 0.000 0.686 186 G C -1.226 173.729 174.900 0.091 0.000 1.243 186 G CA -0.875 44.212 45.100 -0.022 0.000 0.782 186 G HN 0.265 nan 8.290 nan 0.000 0.625 187 N N 1.522 120.225 118.700 0.005 0.000 2.518 187 N HA 0.602 5.334 4.740 -0.012 0.000 0.254 187 N C -0.698 174.821 175.510 0.016 0.000 0.979 187 N CA -2.162 50.925 53.050 0.060 0.000 0.930 187 N CB 1.998 40.446 38.487 -0.064 0.000 1.152 187 N HN 0.240 nan 8.380 nan 0.000 0.505 188 P HA 0.060 nan 4.420 nan 0.000 0.237 188 P C 0.193 177.140 177.300 -0.589 0.000 1.178 188 P CA 0.605 63.415 63.100 -0.483 0.000 0.766 188 P CB -0.023 31.208 31.700 -0.781 0.000 0.876 189 W N 1.687 123.019 121.300 0.053 0.000 3.316 189 W HA 0.171 4.823 4.660 -0.012 0.000 0.327 189 W C 0.777 177.347 176.519 0.085 0.000 1.232 189 W CA -0.559 56.809 57.345 0.038 0.000 1.805 189 W CB 0.143 29.632 29.460 0.048 0.000 1.090 189 W HN 0.043 nan 8.180 nan 0.000 0.654 190 E N 0.922 121.275 120.200 0.254 0.000 2.244 190 E HA 0.550 4.893 4.350 -0.012 0.000 0.266 190 E C -0.956 175.798 176.600 0.256 0.000 0.914 190 E CA -1.203 55.370 56.400 0.289 0.000 0.794 190 E CB 1.938 31.817 29.700 0.299 0.000 1.210 190 E HN -0.296 nan 8.360 nan 0.000 0.414 191 K N 1.692 122.256 120.400 0.274 0.000 2.502 191 K HA 0.468 4.781 4.320 -0.012 0.000 0.254 191 K C -1.147 175.459 176.600 0.010 0.000 0.947 191 K CA -0.475 55.895 56.287 0.139 0.000 0.834 191 K CB 1.633 34.194 32.500 0.103 0.000 1.112 191 K HN 0.690 nan 8.250 nan 0.000 0.427 192 A N 4.302 127.035 122.820 -0.145 0.000 2.511 192 A HA 0.326 4.638 4.320 -0.012 0.000 0.242 192 A C -0.326 177.074 177.584 -0.307 0.000 1.069 192 A CA -0.064 51.640 52.037 -0.555 0.000 0.763 192 A CB 0.185 18.838 19.000 -0.578 0.000 1.001 192 A HN 0.663 nan 8.150 nan 0.000 0.498 193 R N 3.423 123.747 120.500 -0.294 0.000 2.724 193 R HA 0.211 4.543 4.340 -0.012 0.000 0.284 193 R C -2.410 173.814 176.300 -0.126 0.000 1.481 193 R CA -1.762 54.259 56.100 -0.131 0.000 1.652 193 R CB 0.691 31.030 30.300 0.064 0.000 1.175 193 R HN 0.573 nan 8.270 nan 0.000 0.613 194 P HA -0.179 nan 4.420 nan 0.000 0.222 194 P C 0.930 178.156 177.300 -0.123 0.000 1.147 194 P CA 1.087 64.121 63.100 -0.111 0.000 0.790 194 P CB 0.375 32.012 31.700 -0.105 0.000 0.780 195 E N -0.258 119.780 120.200 -0.270 0.000 2.409 195 E HA -0.134 4.209 4.350 -0.012 0.000 0.198 195 E C 0.527 176.886 176.600 -0.403 0.000 1.024 195 E CA 0.831 56.995 56.400 -0.393 0.000 0.861 195 E CB -0.783 28.560 29.700 -0.595 0.000 0.788 195 E HN 0.263 nan 8.360 nan 0.000 0.521 196 F N 1.805 121.774 119.950 0.032 0.000 2.684 196 F HA 0.256 4.775 4.527 -0.012 0.000 0.298 196 F C 0.378 176.286 175.800 0.180 0.000 1.120 196 F CA -0.507 57.550 58.000 0.096 0.000 1.332 196 F CB 0.144 39.201 39.000 0.095 0.000 0.986 196 F HN -0.291 nan 8.300 nan 0.000 0.524 197 T N 3.070 117.766 114.554 0.237 0.000 2.902 197 T HA 0.283 4.626 4.350 -0.012 0.000 0.301 197 T C -0.248 174.555 174.700 0.172 0.000 1.012 197 T CA 0.398 62.631 62.100 0.222 0.000 1.151 197 T CB 0.593 69.537 68.868 0.128 0.000 0.946 197 T HN -0.151 nan 8.240 nan 0.000 0.542 198 L N 5.933 127.232 121.223 0.126 0.000 2.388 198 L HA 0.555 4.888 4.340 -0.012 0.000 0.264 198 L C -2.278 174.561 176.870 -0.052 0.000 0.998 198 L CA -2.553 52.294 54.840 0.011 0.000 0.817 198 L CB 2.119 44.117 42.059 -0.101 0.000 1.338 198 L HN 0.371 nan 8.230 nan 0.000 0.414 199 P HA 0.348 nan 4.420 nan 0.000 0.285 199 P C -1.134 176.064 177.300 -0.171 0.000 1.259 199 P CA -0.338 62.697 63.100 -0.109 0.000 0.794 199 P CB 1.620 33.255 31.700 -0.108 0.000 0.940 200 V N 4.200 123.995 119.914 -0.198 0.000 2.604 200 V HA 0.327 4.439 4.120 -0.012 0.000 0.305 200 V C 0.245 176.147 176.094 -0.319 0.000 1.043 200 V CA -0.613 61.553 62.300 -0.223 0.000 0.888 200 V CB 1.374 33.084 31.823 -0.188 0.000 0.995 200 V HN 0.599 nan 8.190 nan 0.000 0.429 201 H N 3.802 122.708 119.070 -0.272 0.000 2.472 201 H HA 0.615 5.164 4.556 -0.013 0.000 0.338 201 H C -1.308 173.748 175.328 -0.453 0.000 1.133 201 H CA -0.141 55.678 56.048 -0.382 0.000 1.216 201 H CB 1.936 31.238 29.762 -0.767 0.000 1.497 201 H HN 0.479 nan 8.280 nan 0.000 0.500 202 F N 0.326 120.343 119.950 0.113 0.000 2.613 202 F HA 0.199 4.718 4.527 -0.013 0.000 0.314 202 F C -0.291 175.640 175.800 0.218 0.000 1.075 202 F CA -0.533 57.543 58.000 0.127 0.000 0.945 202 F CB 1.113 40.082 39.000 -0.051 0.000 1.310 202 F HN 0.565 nan 8.300 nan 0.000 0.467 203 Y N 0.195 120.813 120.300 0.530 0.000 2.896 203 Y HA -0.028 4.515 4.550 -0.012 0.000 0.466 203 Y C 1.393 177.561 175.900 0.447 0.000 1.197 203 Y CA 0.667 58.992 58.100 0.375 0.000 2.513 203 Y CB -1.931 36.677 38.460 0.246 0.000 1.232 203 Y HN 1.285 nan 8.280 nan 0.000 0.632 204 G N 0.776 109.864 108.800 0.479 0.000 2.601 204 G HA2 0.061 4.013 3.960 -0.012 0.000 0.252 204 G HA3 0.061 4.013 3.960 -0.012 0.000 0.252 204 G C -0.495 174.632 174.900 0.379 0.000 1.294 204 G CA 1.077 46.380 45.100 0.339 0.000 0.912 204 G HN 1.362 nan 8.290 nan 0.000 0.574 205 R N -2.624 118.095 120.500 0.365 0.000 2.734 205 R HA 0.699 5.031 4.340 -0.012 0.000 0.271 205 R C -1.373 175.080 176.300 0.256 0.000 1.021 205 R CA -1.017 55.240 56.100 0.261 0.000 0.893 205 R CB 1.343 31.740 30.300 0.163 0.000 1.244 205 R HN 0.856 nan 8.270 nan 0.000 0.464 206 V N 1.089 121.071 119.914 0.114 0.000 2.394 206 V HA 0.340 4.452 4.120 -0.012 0.000 0.282 206 V C -0.176 175.894 176.094 -0.040 0.000 1.031 206 V CA -0.537 61.762 62.300 -0.001 0.000 0.881 206 V CB 1.333 33.083 31.823 -0.122 0.000 0.982 206 V HN 0.682 nan 8.190 nan 0.000 0.451 207 E N 3.108 123.258 120.200 -0.083 0.000 2.166 207 E HA 0.421 4.763 4.350 -0.012 0.000 0.275 207 E C -0.957 175.528 176.600 -0.191 0.000 0.941 207 E CA -0.691 55.674 56.400 -0.058 0.000 0.784 207 E CB 1.191 30.893 29.700 0.002 0.000 1.115 207 E HN 0.679 nan 8.360 nan 0.000 0.399 208 H N 2.379 121.465 119.070 0.026 0.000 2.597 208 H HA 0.164 4.712 4.556 -0.013 0.000 0.303 208 H C 0.276 175.613 175.328 0.016 0.000 1.057 208 H CA -0.317 55.742 56.048 0.017 0.000 1.261 208 H CB 0.989 30.756 29.762 0.009 0.000 1.397 208 H HN 0.569 nan 8.280 nan 0.000 0.461 209 T N -0.444 114.163 114.554 0.088 0.000 2.888 209 T HA 0.145 4.488 4.350 -0.012 0.000 0.283 209 T C 1.546 176.282 174.700 0.060 0.000 1.013 209 T CA -0.638 61.498 62.100 0.061 0.000 0.938 209 T CB 0.856 69.744 68.868 0.034 0.000 1.298 209 T HN 0.367 nan 8.240 nan 0.000 0.580 210 S N -0.082 115.642 115.700 0.041 0.000 2.370 210 S HA -0.089 4.374 4.470 -0.012 0.000 0.226 210 S C 1.213 175.834 174.600 0.034 0.000 1.033 210 S CA 1.095 59.315 58.200 0.034 0.000 1.011 210 S CB -0.442 62.773 63.200 0.025 0.000 0.852 210 S HN 0.724 nan 8.310 nan 0.000 0.457 211 Q N 0.747 120.566 119.800 0.032 0.000 2.916 211 Q HA 0.510 4.843 4.340 -0.012 0.000 0.314 211 Q C 0.338 176.357 176.000 0.031 0.000 1.194 211 Q CA 0.212 56.032 55.803 0.029 0.000 1.079 211 Q CB 0.033 28.784 28.738 0.022 0.000 1.322 211 Q HN 0.467 nan 8.270 nan 0.000 0.500 212 G N 0.651 109.480 108.800 0.047 0.000 2.782 212 G HA2 -0.058 3.894 3.960 -0.012 0.000 0.228 212 G HA3 -0.058 3.894 3.960 -0.012 0.000 0.228 212 G C -0.449 174.470 174.900 0.031 0.000 1.372 212 G CA -0.641 44.491 45.100 0.053 0.000 0.862 212 G HN 0.773 nan 8.290 nan 0.000 0.547 213 A N 0.085 122.901 122.820 -0.006 0.000 2.322 213 A HA 0.718 5.031 4.320 -0.012 0.000 0.269 213 A C 0.475 177.998 177.584 -0.103 0.000 1.094 213 A CA 0.343 52.285 52.037 -0.158 0.000 0.807 213 A CB 0.669 19.523 19.000 -0.242 0.000 1.047 213 A HN 0.757 nan 8.150 nan 0.000 0.487 214 K N 0.661 120.993 120.400 -0.114 0.000 2.482 214 K HA 0.182 4.495 4.320 -0.012 0.000 0.251 214 K C -1.936 174.699 176.600 0.058 0.000 0.936 214 K CA -0.323 55.952 56.287 -0.021 0.000 0.791 214 K CB 2.149 34.642 32.500 -0.013 0.000 1.213 214 K HN 0.752 nan 8.250 nan 0.000 0.428 215 W N 5.339 126.558 121.300 -0.134 0.000 2.308 215 W HA 0.361 5.013 4.660 -0.013 0.000 0.311 215 W C -0.607 175.862 176.519 -0.083 0.000 1.088 215 W CA -0.798 56.478 57.345 -0.115 0.000 1.309 215 W CB 0.167 29.542 29.460 -0.141 0.000 1.229 215 W HN 0.297 nan 8.180 nan 0.000 0.427 216 V N 2.872 122.848 119.914 0.105 0.000 3.126 216 V HA 0.617 4.730 4.120 -0.012 0.000 0.314 216 V C -0.234 175.849 176.094 -0.018 0.000 1.138 216 V CA -0.952 61.335 62.300 -0.022 0.000 1.034 216 V CB 2.002 33.839 31.823 0.023 0.000 1.075 216 V HN 0.475 nan 8.190 nan 0.000 0.442 217 D N 0.206 120.596 120.400 -0.018 0.000 2.772 217 D HA -0.138 4.495 4.640 -0.012 0.000 0.233 217 D C 0.534 176.851 176.300 0.027 0.000 1.143 217 D CA 1.538 55.549 54.000 0.019 0.000 0.700 217 D CB -1.714 39.118 40.800 0.053 0.000 1.076 217 D HN 1.335 nan 8.370 nan 0.000 0.430 218 T N -2.866 111.661 114.554 -0.045 0.000 2.882 218 T HA 0.473 4.815 4.350 -0.012 0.000 0.287 218 T C 0.471 175.226 174.700 0.092 0.000 1.014 218 T CA -0.735 61.350 62.100 -0.024 0.000 1.049 218 T CB 1.873 70.578 68.868 -0.272 0.000 1.001 218 T HN 0.053 nan 8.240 nan 0.000 0.525 219 Q N 0.596 120.522 119.800 0.209 0.000 2.235 219 Q HA 0.566 4.899 4.340 -0.012 0.000 0.250 219 Q C -0.924 175.190 176.000 0.190 0.000 0.909 219 Q CA -0.871 55.077 55.803 0.242 0.000 0.910 219 Q CB 1.778 30.746 28.738 0.383 0.000 1.223 219 Q HN 0.529 nan 8.270 nan 0.000 0.432 220 V N 2.960 122.945 119.914 0.119 0.000 2.459 220 V HA 0.423 4.536 4.120 -0.012 0.000 0.295 220 V C -0.355 175.809 176.094 0.115 0.000 1.029 220 V CA -0.694 61.587 62.300 -0.032 0.000 0.874 220 V CB 1.678 33.416 31.823 -0.143 0.000 0.985 220 V HN 0.486 nan 8.190 nan 0.000 0.438 221 V N 5.844 125.845 119.914 0.144 0.000 2.604 221 V HA 0.490 4.602 4.120 -0.012 0.000 0.305 221 V C -0.114 176.074 176.094 0.156 0.000 1.043 221 V CA -0.651 61.747 62.300 0.163 0.000 0.888 221 V CB 1.910 33.897 31.823 0.273 0.000 0.995 221 V HN 0.651 nan 8.190 nan 0.000 0.429 222 L N 3.465 124.768 121.223 0.134 0.000 2.395 222 L HA 0.728 5.060 4.340 -0.012 0.000 0.269 222 L C 0.472 177.520 176.870 0.297 0.000 1.133 222 L CA -0.261 54.667 54.840 0.147 0.000 0.812 222 L CB 1.145 43.269 42.059 0.108 0.000 1.125 222 L HN 0.759 nan 8.230 nan 0.000 0.452 223 A N 4.840 127.784 122.820 0.208 0.000 2.267 223 A HA 0.617 4.930 4.320 -0.012 0.000 0.315 223 A C -0.553 177.297 177.584 0.444 0.000 1.297 223 A CA -0.457 51.733 52.037 0.256 0.000 0.865 223 A CB 0.994 19.699 19.000 -0.491 0.000 1.165 223 A HN 0.776 nan 8.150 nan 0.000 0.513 224 M N 5.804 125.731 119.600 0.545 0.000 2.149 224 M HA 0.462 4.935 4.480 -0.012 0.000 0.342 224 M C -2.640 173.920 176.300 0.433 0.000 1.068 224 M CA -2.220 53.337 55.300 0.428 0.000 0.991 224 M CB 2.258 35.022 32.600 0.273 0.000 1.596 224 M HN 0.365 nan 8.290 nan 0.000 0.439 225 P HA 0.266 nan 4.420 nan 0.000 0.282 225 P C -1.921 175.278 177.300 -0.169 0.000 1.249 225 P CA -0.037 62.931 63.100 -0.220 0.000 0.806 225 P CB 0.571 31.930 31.700 -0.568 0.000 0.984 226 Y N 0.392 120.615 120.300 -0.129 0.000 2.331 226 Y HA 0.317 4.859 4.550 -0.013 0.000 0.334 226 Y C 0.174 176.051 175.900 -0.038 0.000 0.960 226 Y CA -0.342 57.741 58.100 -0.028 0.000 1.130 226 Y CB 1.358 39.835 38.460 0.029 0.000 1.164 226 Y HN 0.212 nan 8.280 nan 0.000 0.458 227 D N 1.977 122.468 120.400 0.150 0.000 2.198 227 D HA 0.395 5.028 4.640 -0.012 0.000 0.245 227 D C -0.555 175.975 176.300 0.385 0.000 1.079 227 D CA -0.146 53.989 54.000 0.225 0.000 0.854 227 D CB 1.692 42.639 40.800 0.243 0.000 1.148 227 D HN 0.378 nan 8.370 nan 0.000 0.456 228 T N 3.190 117.894 114.554 0.249 0.000 2.841 228 T HA 0.474 4.816 4.350 -0.012 0.000 0.283 228 T C -2.500 172.088 174.700 -0.187 0.000 1.000 228 T CA -1.473 60.686 62.100 0.098 0.000 0.977 228 T CB 2.080 70.983 68.868 0.058 0.000 0.979 228 T HN 0.179 nan 8.240 nan 0.000 0.446 229 P HA 0.317 nan 4.420 nan 0.000 0.275 229 P C -1.025 175.965 177.300 -0.517 0.000 1.228 229 P CA -0.397 62.070 63.100 -1.055 0.000 0.786 229 P CB 0.834 31.766 31.700 -1.279 0.000 0.927 230 V N 4.686 124.343 119.914 -0.427 0.000 2.327 230 V HA 0.252 4.365 4.120 -0.012 0.000 0.272 230 V C -2.134 173.824 176.094 -0.227 0.000 1.019 230 V CA -1.889 60.252 62.300 -0.264 0.000 0.814 230 V CB 1.308 33.024 31.823 -0.179 0.000 1.040 230 V HN 0.541 nan 8.190 nan 0.000 0.440 231 P HA 0.267 nan 4.420 nan 0.000 0.280 231 P C 0.425 177.671 177.300 -0.091 0.000 1.244 231 P CA 0.318 63.323 63.100 -0.159 0.000 0.784 231 P CB 1.503 33.108 31.700 -0.159 0.000 0.913 232 G N 2.238 111.004 108.800 -0.058 0.000 2.634 232 G HA2 0.105 4.057 3.960 -0.012 0.000 0.255 232 G HA3 0.105 4.057 3.960 -0.012 0.000 0.255 232 G C -1.128 173.783 174.900 0.018 0.000 1.205 232 G CA -0.545 44.552 45.100 -0.006 0.000 0.884 232 G HN 0.517 nan 8.290 nan 0.000 0.549 233 Y N 0.574 120.835 120.300 -0.064 0.000 2.624 233 Y HA 0.275 4.818 4.550 -0.013 0.000 0.354 233 Y C 1.183 177.046 175.900 -0.062 0.000 1.051 233 Y CA -0.258 57.800 58.100 -0.070 0.000 1.377 233 Y CB 0.035 38.452 38.460 -0.072 0.000 1.168 233 Y HN 0.712 nan 8.280 nan 0.000 0.525 234 R N 2.689 122.910 120.500 -0.464 0.000 3.627 234 R HA -0.319 4.014 4.340 -0.012 0.000 0.281 234 R C 0.082 176.253 176.300 -0.215 0.000 1.140 234 R CA 1.455 57.302 56.100 -0.422 0.000 0.761 234 R CB -1.957 27.937 30.300 -0.676 0.000 1.181 234 R HN 0.946 nan 8.270 nan 0.000 0.472 235 N N -1.291 117.332 118.700 -0.129 0.000 2.177 235 N HA 0.062 4.795 4.740 -0.012 0.000 0.218 235 N C -0.138 175.329 175.510 -0.072 0.000 1.182 235 N CA -0.318 52.686 53.050 -0.076 0.000 0.882 235 N CB 0.508 38.976 38.487 -0.032 0.000 1.052 235 N HN 0.093 nan 8.380 nan 0.000 0.519 236 N N -0.252 118.400 118.700 -0.080 0.000 2.778 236 N HA -0.137 4.595 4.740 -0.012 0.000 0.249 236 N C -0.847 174.625 175.510 -0.064 0.000 1.069 236 N CA 0.629 53.639 53.050 -0.067 0.000 0.831 236 N CB -1.322 37.127 38.487 -0.064 0.000 1.142 236 N HN 0.185 nan 8.380 nan 0.000 0.573 237 V N 1.283 121.162 119.914 -0.057 0.000 2.498 237 V HA 0.354 4.467 4.120 -0.012 0.000 0.279 237 V C 0.692 176.755 176.094 -0.052 0.000 1.048 237 V CA -0.358 61.915 62.300 -0.045 0.000 0.967 237 V CB 1.964 33.786 31.823 -0.002 0.000 0.988 237 V HN -0.019 nan 8.190 nan 0.000 0.473 238 V N 5.372 125.259 119.914 -0.045 0.000 2.419 238 V HA 0.423 4.535 4.120 -0.012 0.000 0.287 238 V C -0.077 175.998 176.094 -0.031 0.000 1.017 238 V CA -0.870 61.366 62.300 -0.108 0.000 0.844 238 V CB 1.407 33.122 31.823 -0.180 0.000 1.011 238 V HN 0.841 nan 8.190 nan 0.000 0.429 239 N N 1.953 120.610 118.700 -0.072 0.000 2.405 239 N HA 0.547 5.279 4.740 -0.012 0.000 0.269 239 N C -0.011 175.477 175.510 -0.037 0.000 1.249 239 N CA -0.267 52.765 53.050 -0.029 0.000 0.974 239 N CB 1.141 39.574 38.487 -0.090 0.000 1.204 239 N HN 0.576 nan 8.380 nan 0.000 0.565 240 T N 0.807 115.351 114.554 -0.017 0.000 2.807 240 T HA 0.394 4.737 4.350 -0.012 0.000 0.279 240 T C -0.214 174.454 174.700 -0.055 0.000 0.993 240 T CA -0.500 61.665 62.100 0.107 0.000 0.970 240 T CB 0.941 69.980 68.868 0.286 0.000 0.950 240 T HN 0.293 nan 8.240 nan 0.000 0.441 241 M N 3.896 123.434 119.600 -0.103 0.000 2.101 241 M HA 0.506 4.978 4.480 -0.012 0.000 0.340 241 M C -0.502 175.656 176.300 -0.236 0.000 1.057 241 M CA -0.744 54.406 55.300 -0.249 0.000 0.984 241 M CB 0.739 33.133 32.600 -0.343 0.000 1.560 241 M HN 0.483 nan 8.290 nan 0.000 0.435 242 R N 5.930 126.176 120.500 -0.424 0.000 2.265 242 R HA 0.635 4.968 4.340 -0.012 0.000 0.328 242 R C -1.971 174.037 176.300 -0.488 0.000 0.969 242 R CA -0.438 55.362 56.100 -0.500 0.000 0.832 242 R CB 0.928 30.750 30.300 -0.798 0.000 1.139 242 R HN 0.818 nan 8.270 nan 0.000 0.457 243 L N 4.929 125.975 121.223 -0.294 0.000 2.341 243 L HA 0.518 4.850 4.340 -0.012 0.000 0.278 243 L C -0.870 175.965 176.870 -0.058 0.000 1.005 243 L CA -0.917 53.855 54.840 -0.114 0.000 0.818 243 L CB 1.589 43.667 42.059 0.032 0.000 1.259 243 L HN 0.590 nan 8.230 nan 0.000 0.418 244 W N 1.693 123.119 121.300 0.210 0.000 2.376 244 W HA 0.506 5.159 4.660 -0.012 0.000 0.322 244 W C 0.469 177.220 176.519 0.386 0.000 1.160 244 W CA -0.250 57.247 57.345 0.253 0.000 1.218 244 W CB 1.626 31.108 29.460 0.037 0.000 1.205 244 W HN 0.325 nan 8.180 nan 0.000 0.559 245 S N 1.714 117.829 115.700 0.693 0.000 2.482 245 S HA 0.768 5.230 4.470 -0.012 0.000 0.303 245 S C -0.475 174.466 174.600 0.569 0.000 1.091 245 S CA -0.703 57.800 58.200 0.505 0.000 1.057 245 S CB 0.652 64.097 63.200 0.408 0.000 1.031 245 S HN 0.518 nan 8.310 nan 0.000 0.485 246 A N 4.790 127.775 122.820 0.276 0.000 2.366 246 A HA 0.638 4.950 4.320 -0.012 0.000 0.272 246 A C -0.155 177.488 177.584 0.097 0.000 1.135 246 A CA -0.260 51.833 52.037 0.093 0.000 0.804 246 A CB 0.336 19.104 19.000 -0.387 0.000 1.064 246 A HN 0.647 nan 8.150 nan 0.000 0.499 247 K N 1.381 121.852 120.400 0.118 0.000 2.443 247 K HA 0.568 4.880 4.320 -0.012 0.000 0.252 247 K C -0.411 176.177 176.600 -0.020 0.000 0.933 247 K CA -0.404 55.916 56.287 0.056 0.000 0.792 247 K CB 2.166 34.732 32.500 0.109 0.000 1.185 247 K HN 0.850 nan 8.250 nan 0.000 0.425 248 A N 4.584 127.332 122.820 -0.121 0.000 2.462 248 A HA 0.379 4.692 4.320 -0.012 0.000 0.243 248 A C -2.092 175.462 177.584 -0.050 0.000 1.076 248 A CA -0.831 51.063 52.037 -0.238 0.000 0.773 248 A CB -0.418 18.316 19.000 -0.444 0.000 1.010 248 A HN 0.329 nan 8.150 nan 0.000 0.493 249 P HA 0.136 nan 4.420 nan 0.000 0.272 249 P C 0.103 177.479 177.300 0.128 0.000 1.230 249 P CA -0.375 62.779 63.100 0.089 0.000 0.788 249 P CB 0.539 32.308 31.700 0.116 0.000 0.949 250 N N 0.801 119.562 118.700 0.102 0.000 2.309 250 N HA -0.129 4.604 4.740 -0.012 0.000 0.182 250 N C 0.734 176.319 175.510 0.125 0.000 1.018 250 N CA 1.134 54.246 53.050 0.103 0.000 0.876 250 N CB -0.544 37.989 38.487 0.076 0.000 0.972 250 N HN 0.540 nan 8.380 nan 0.000 0.434 251 D N -0.998 119.476 120.400 0.124 0.000 2.319 251 D HA -0.067 4.565 4.640 -0.012 0.000 0.230 251 D C 0.007 176.380 176.300 0.121 0.000 1.094 251 D CA -0.510 53.553 54.000 0.106 0.000 0.856 251 D CB -1.017 39.827 40.800 0.072 0.000 0.915 251 D HN 0.094 nan 8.370 nan 0.000 0.517 252 F N 1.988 121.953 119.950 0.025 0.000 2.602 252 F HA 0.065 4.584 4.527 -0.012 0.000 0.385 252 F C 0.671 176.478 175.800 0.012 0.000 1.063 252 F CA 0.199 58.211 58.000 0.020 0.000 1.233 252 F CB 0.057 39.069 39.000 0.020 0.000 1.067 252 F HN -0.140 nan 8.300 nan 0.000 0.564 253 N N 2.848 121.169 118.700 -0.632 0.000 2.713 253 N HA -0.267 4.465 4.740 -0.012 0.000 0.251 253 N C -0.958 174.462 175.510 -0.151 0.000 1.117 253 N CA 1.441 54.233 53.050 -0.429 0.000 0.770 253 N CB -1.227 37.019 38.487 -0.402 0.000 1.137 253 N HN 0.569 nan 8.380 nan 0.000 0.566 262 Y N 1.927 122.229 120.300 0.004 0.000 2.097 262 Y HA -0.053 4.489 4.550 -0.012 0.000 0.282 262 Y C 2.708 178.619 175.900 0.017 0.000 1.152 262 Y CA 2.301 60.407 58.100 0.009 0.000 1.136 262 Y CB -0.164 38.302 38.460 0.010 0.000 0.975 262 Y HN 0.192 nan 8.280 nan 0.000 0.498 263 I N 0.485 120.982 120.570 -0.121 0.000 2.163 263 I HA -0.313 3.850 4.170 -0.012 0.000 0.243 263 I C 2.405 178.418 176.117 -0.173 0.000 1.085 263 I CA 1.517 62.694 61.300 -0.205 0.000 1.347 263 I CB -1.432 36.558 38.000 -0.017 0.000 1.044 263 I HN 0.382 nan 8.210 nan 0.000 0.408 264 Q N 0.546 120.296 119.800 -0.084 0.000 2.096 264 Q HA -0.160 4.173 4.340 -0.012 0.000 0.204 264 Q C 2.391 178.353 176.000 -0.063 0.000 0.982 264 Q CA 1.984 57.754 55.803 -0.054 0.000 0.850 264 Q CB -0.414 28.309 28.738 -0.024 0.000 0.901 264 Q HN 0.556 nan 8.270 nan 0.000 0.422 265 A N 0.048 122.814 122.820 -0.091 0.000 1.908 265 A HA -0.152 4.161 4.320 -0.012 0.000 0.218 265 A C 2.412 179.964 177.584 -0.052 0.000 1.181 265 A CA 1.760 53.753 52.037 -0.073 0.000 0.627 265 A CB -0.662 18.294 19.000 -0.073 0.000 0.818 265 A HN 0.234 nan 8.150 nan 0.000 0.445 266 V N 0.113 119.917 119.914 -0.183 0.000 2.358 266 V HA -0.227 3.885 4.120 -0.012 0.000 0.246 266 V C 2.521 178.587 176.094 -0.047 0.000 1.047 266 V CA 1.819 64.033 62.300 -0.144 0.000 1.035 266 V CB -0.774 30.864 31.823 -0.308 0.000 0.658 266 V HN 0.570 nan 8.190 nan 0.000 0.452 267 L N -0.166 121.024 121.223 -0.056 0.000 2.131 267 L HA -0.164 4.169 4.340 -0.012 0.000 0.210 267 L C 2.125 179.013 176.870 0.031 0.000 1.092 267 L CA 1.309 56.141 54.840 -0.014 0.000 0.759 267 L CB -0.724 41.324 42.059 -0.019 0.000 0.903 267 L HN 0.327 nan 8.230 nan 0.000 0.435 268 D N 0.074 120.515 120.400 0.068 0.000 2.350 268 D HA -0.095 4.537 4.640 -0.012 0.000 0.216 268 D C 2.178 178.634 176.300 0.260 0.000 0.968 268 D CA 0.533 54.624 54.000 0.151 0.000 0.894 268 D CB -0.037 40.854 40.800 0.151 0.000 0.909 268 D HN 0.232 nan 8.370 nan 0.000 0.520 269 R N 0.344 120.955 120.500 0.185 0.000 2.159 269 R HA -0.102 4.231 4.340 -0.012 0.000 0.237 269 R C 1.757 177.982 176.300 -0.125 0.000 1.131 269 R CA 1.021 57.106 56.100 -0.025 0.000 0.982 269 R CB -0.323 29.968 30.300 -0.016 0.000 0.868 269 R HN 0.362 nan 8.270 nan 0.000 0.453 270 N N 0.269 118.953 118.700 -0.026 0.000 2.137 270 N HA -0.201 4.532 4.740 -0.012 0.000 0.190 270 N C 1.300 176.788 175.510 -0.036 0.000 1.017 270 N CA 0.841 53.876 53.050 -0.024 0.000 0.859 270 N CB -0.116 38.375 38.487 0.008 0.000 1.002 270 N HN 0.015 nan 8.380 nan 0.000 0.428 271 L N 1.197 122.416 121.223 -0.006 0.000 1.989 271 L HA -0.178 4.154 4.340 -0.012 0.000 0.211 271 L C 2.482 179.310 176.870 -0.069 0.000 1.071 271 L CA 1.608 56.454 54.840 0.010 0.000 0.749 271 L CB -1.158 40.968 42.059 0.113 0.000 0.890 271 L HN 0.166 nan 8.230 nan 0.000 0.431 272 A N -0.886 121.808 122.820 -0.210 0.000 1.902 272 A HA -0.200 4.112 4.320 -0.012 0.000 0.217 272 A C 2.125 179.578 177.584 -0.219 0.000 1.181 272 A CA 1.670 53.534 52.037 -0.289 0.000 0.623 272 A CB -0.503 18.119 19.000 -0.630 0.000 0.818 272 A HN 0.565 nan 8.150 nan 0.000 0.443 273 E N -0.111 119.979 120.200 -0.183 0.000 2.435 273 E HA -0.061 4.282 4.350 -0.012 0.000 0.195 273 E C 1.027 177.584 176.600 -0.073 0.000 1.029 273 E CA 0.151 56.481 56.400 -0.118 0.000 0.865 273 E CB -0.143 29.512 29.700 -0.075 0.000 0.833 273 E HN 0.463 nan 8.360 nan 0.000 0.510 274 N N 1.168 119.832 118.700 -0.059 0.000 2.348 274 N HA -0.118 4.614 4.740 -0.012 0.000 0.185 274 N C 1.599 177.100 175.510 -0.014 0.000 1.019 274 N CA 0.689 53.732 53.050 -0.010 0.000 0.880 274 N CB -0.081 38.405 38.487 -0.001 0.000 0.965 274 N HN 0.270 nan 8.380 nan 0.000 0.437 275 I N 0.337 120.837 120.570 -0.118 0.000 2.194 275 I HA -0.263 3.899 4.170 -0.012 0.000 0.246 275 I C 1.468 177.538 176.117 -0.079 0.000 1.093 275 I CA 1.336 62.530 61.300 -0.176 0.000 1.355 275 I CB -0.217 37.505 38.000 -0.462 0.000 1.046 275 I HN 0.142 nan 8.210 nan 0.000 0.413 276 S N -0.525 115.125 115.700 -0.084 0.000 2.582 276 S HA 0.176 4.638 4.470 -0.012 0.000 0.234 276 S C 1.495 176.228 174.600 0.222 0.000 0.961 276 S CA -0.510 57.729 58.200 0.065 0.000 0.953 276 S CB 0.224 63.446 63.200 0.036 0.000 0.800 276 S HN 0.218 nan 8.310 nan 0.000 0.471 277 R N 1.277 121.912 120.500 0.225 0.000 2.073 277 R HA 0.269 4.602 4.340 -0.012 0.000 0.229 277 R C 0.367 176.930 176.300 0.437 0.000 1.120 277 R CA 1.086 57.366 56.100 0.300 0.000 0.967 277 R CB -0.182 30.251 30.300 0.221 0.000 0.862 277 R HN 0.388 nan 8.270 nan 0.000 0.436 278 V N 0.385 120.517 119.914 0.362 0.000 2.851 278 V HA 0.346 4.458 4.120 -0.012 0.000 0.307 278 V C -1.631 174.439 176.094 -0.039 0.000 1.129 278 V CA -1.375 61.053 62.300 0.214 0.000 0.932 278 V CB 1.767 33.625 31.823 0.057 0.000 1.024 278 V HN 0.138 nan 8.190 nan 0.000 0.426 279 L N 7.018 127.980 121.223 -0.435 0.000 2.410 279 L HA 0.458 4.791 4.340 -0.012 0.000 0.273 279 L C -0.805 175.900 176.870 -0.275 0.000 1.144 279 L CA 0.467 54.832 54.840 -0.791 0.000 0.863 279 L CB 0.365 41.910 42.059 -0.856 0.000 1.140 279 L HN 0.676 nan 8.230 nan 0.000 0.463 280 Y N 7.302 127.503 120.300 -0.165 0.000 2.569 280 Y HA 0.183 4.725 4.550 -0.013 0.000 0.332 280 Y C -1.321 174.564 175.900 -0.026 0.000 1.120 280 Y CA -1.033 57.043 58.100 -0.039 0.000 1.416 280 Y CB 0.370 38.833 38.460 0.005 0.000 1.210 280 Y HN 0.587 nan 8.280 nan 0.000 0.528 281 P HA -0.006 nan 4.420 nan 0.000 0.267 281 P C -0.609 176.822 177.300 0.218 0.000 1.289 281 P CA 0.144 63.347 63.100 0.171 0.000 0.866 281 P CB 0.257 32.144 31.700 0.312 0.000 1.309 282 N N 1.435 120.270 118.700 0.226 0.000 3.050 282 N HA -0.029 4.704 4.740 -0.012 0.000 0.289 282 N C 0.202 175.847 175.510 0.225 0.000 1.209 282 N CA -0.019 53.167 53.050 0.227 0.000 1.154 282 N CB -0.116 38.504 38.487 0.223 0.000 1.444 282 N HN 0.100 nan 8.380 nan 0.000 0.529 283 D N 0.732 121.287 120.400 0.259 0.000 2.363 283 D HA -0.153 4.480 4.640 -0.012 0.000 0.226 283 D C 0.823 177.346 176.300 0.372 0.000 1.020 283 D CA 0.269 54.443 54.000 0.290 0.000 0.892 283 D CB -0.091 40.900 40.800 0.317 0.000 0.900 283 D HN 0.513 nan 8.370 nan 0.000 0.531 284 N N -0.360 118.556 118.700 0.360 0.000 2.414 284 N HA -0.022 4.710 4.740 -0.012 0.000 0.177 284 N C -0.484 175.171 175.510 0.241 0.000 1.062 284 N CA -0.187 53.049 53.050 0.310 0.000 0.890 284 N CB 0.045 38.547 38.487 0.025 0.000 1.070 284 N HN 0.143 nan 8.380 nan 0.000 0.454 285 F N 1.105 121.076 119.950 0.036 0.000 2.617 285 F HA 0.377 4.897 4.527 -0.013 0.000 0.325 285 F C -1.167 174.660 175.800 0.045 0.000 1.179 285 F CA -1.621 56.389 58.000 0.018 0.000 0.965 285 F CB 1.121 40.090 39.000 -0.052 0.000 1.232 285 F HN -0.107 nan 8.300 nan 0.000 0.461 286 F N 5.738 125.411 119.950 -0.461 0.000 2.571 286 F HA 0.231 4.751 4.527 -0.013 0.000 0.384 286 F C -0.130 175.417 175.800 -0.423 0.000 1.058 286 F CA 0.479 58.232 58.000 -0.412 0.000 1.200 286 F CB 0.379 39.106 39.000 -0.454 0.000 1.077 286 F HN 0.501 nan 8.300 nan 0.000 0.558 287 E N 4.082 123.699 120.200 -0.972 0.000 2.145 287 E HA 0.264 4.607 4.350 -0.012 0.000 0.270 287 E C 0.025 175.857 176.600 -1.279 0.000 0.906 287 E CA -0.680 55.239 56.400 -0.802 0.000 0.761 287 E CB 1.609 31.172 29.700 -0.230 0.000 1.116 287 E HN 0.871 nan 8.360 nan 0.000 0.408 288 G N 4.271 112.407 108.800 -1.108 0.000 3.102 288 G HA2 -0.013 3.940 3.960 -0.012 0.000 0.264 288 G HA3 -0.013 3.940 3.960 -0.012 0.000 0.264 288 G C 0.054 174.923 174.900 -0.050 0.000 0.788 288 G CA -0.191 44.481 45.100 -0.714 0.000 2.029 288 G HN 0.119 nan 8.290 nan 0.000 0.608 289 K N 0.788 121.181 120.400 -0.011 0.000 2.201 289 K HA 0.154 4.467 4.320 -0.012 0.000 0.278 289 K C 1.009 177.736 176.600 0.211 0.000 1.027 289 K CA -0.553 55.803 56.287 0.115 0.000 0.909 289 K CB 2.169 34.721 32.500 0.086 0.000 1.062 289 K HN 0.512 nan 8.250 nan 0.000 0.465 290 E N 2.216 122.511 120.200 0.158 0.000 2.085 290 E HA -0.224 4.118 4.350 -0.012 0.000 0.194 290 E C 1.463 178.080 176.600 0.028 0.000 0.994 290 E CA 1.091 57.537 56.400 0.077 0.000 0.801 290 E CB 0.187 29.939 29.700 0.086 0.000 0.743 290 E HN 0.416 nan 8.360 nan 0.000 0.453 291 L N 1.248 122.528 121.223 0.094 0.000 2.046 291 L HA -0.163 4.169 4.340 -0.012 0.000 0.208 291 L C 2.483 179.412 176.870 0.099 0.000 1.077 291 L CA 1.781 56.690 54.840 0.114 0.000 0.747 291 L CB -0.511 41.690 42.059 0.236 0.000 0.896 291 L HN 0.009 nan 8.230 nan 0.000 0.432 292 R N -0.542 119.944 120.500 -0.024 0.000 2.081 292 R HA -0.173 4.159 4.340 -0.012 0.000 0.235 292 R C 2.118 178.430 176.300 0.020 0.000 1.131 292 R CA 1.923 57.922 56.100 -0.167 0.000 0.960 292 R CB -1.058 28.941 30.300 -0.503 0.000 0.856 292 R HN 0.414 nan 8.270 nan 0.000 0.436 293 L N 0.915 122.074 121.223 -0.106 0.000 2.046 293 L HA -0.097 4.235 4.340 -0.012 0.000 0.208 293 L C 1.753 178.547 176.870 -0.128 0.000 1.077 293 L CA 1.932 56.496 54.840 -0.460 0.000 0.747 293 L CB -0.445 41.061 42.059 -0.921 0.000 0.896 293 L HN 0.163 nan 8.230 nan 0.000 0.432 294 K N -0.997 119.376 120.400 -0.045 0.000 2.063 294 K HA -0.210 4.102 4.320 -0.012 0.000 0.208 294 K C 2.098 178.848 176.600 0.250 0.000 1.048 294 K CA 1.838 58.171 56.287 0.077 0.000 0.928 294 K CB -0.193 32.172 32.500 -0.225 0.000 0.713 294 K HN 0.516 nan 8.250 nan 0.000 0.442 295 Q N 0.593 120.504 119.800 0.184 0.000 2.084 295 Q HA -0.191 4.141 4.340 -0.012 0.000 0.202 295 Q C 1.962 178.152 176.000 0.316 0.000 0.978 295 Q CA 1.471 57.441 55.803 0.277 0.000 0.844 295 Q CB -0.020 28.900 28.738 0.304 0.000 0.898 295 Q HN 0.385 nan 8.270 nan 0.000 0.426 296 E N -0.238 120.102 120.200 0.232 0.000 2.077 296 E HA -0.211 4.132 4.350 -0.012 0.000 0.193 296 E C 1.735 178.443 176.600 0.181 0.000 0.989 296 E CA 1.014 57.537 56.400 0.204 0.000 0.800 296 E CB -0.130 29.670 29.700 0.167 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.426 120.766 120.300 0.066 0.000 2.220 297 Y HA -0.205 4.338 4.550 -0.012 0.000 0.291 297 Y C 1.971 177.899 175.900 0.047 0.000 1.129 297 Y CA 1.039 59.134 58.100 -0.008 0.000 1.161 297 Y CB -0.406 38.017 38.460 -0.062 0.000 0.997 297 Y HN 0.012 nan 8.280 nan 0.000 0.522 298 F N -0.301 119.627 119.950 -0.037 0.000 2.091 298 F HA -0.251 4.269 4.527 -0.013 0.000 0.299 298 F C 2.475 178.115 175.800 -0.266 0.000 1.103 298 F CA 2.031 59.961 58.000 -0.117 0.000 1.228 298 F CB -1.028 38.062 39.000 0.149 0.000 0.984 298 F HN -0.049 nan 8.300 nan 0.000 0.477 299 V N -0.565 119.303 119.914 -0.076 0.000 2.427 299 V HA -0.191 3.921 4.120 -0.012 0.000 0.248 299 V C 2.190 178.129 176.094 -0.258 0.000 1.051 299 V CA 1.887 64.111 62.300 -0.127 0.000 1.048 299 V CB -0.336 31.614 31.823 0.211 0.000 0.666 299 V HN 0.256 nan 8.190 nan 0.000 0.456 300 V N 0.378 120.149 119.914 -0.239 0.000 2.307 300 V HA -0.164 3.948 4.120 -0.012 0.000 0.245 300 V C 2.781 178.615 176.094 -0.433 0.000 1.045 300 V CA 2.122 64.270 62.300 -0.254 0.000 1.024 300 V CB -0.950 30.787 31.823 -0.143 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.271 122.118 122.820 -0.719 0.000 1.898 301 A HA -0.046 4.267 4.320 -0.012 0.000 0.216 301 A C 2.396 179.601 177.584 -0.632 0.000 1.181 301 A CA 1.920 53.528 52.037 -0.714 0.000 0.620 301 A CB -0.760 17.600 19.000 -1.068 0.000 0.819 301 A HN 0.547 nan 8.150 nan 0.000 0.442 302 A N -0.911 121.365 122.820 -0.908 0.000 1.877 302 A HA -0.073 4.239 4.320 -0.012 0.000 0.216 302 A C 2.317 179.403 177.584 -0.830 0.000 1.186 302 A CA 2.303 53.607 52.037 -1.222 0.000 0.620 302 A CB -1.317 16.258 19.000 -2.375 0.000 0.822 302 A HN 0.419 nan 8.150 nan 0.000 0.443 303 T N 0.514 114.723 114.554 -0.574 0.000 2.708 303 T HA -0.113 4.229 4.350 -0.012 0.000 0.266 303 T C 1.833 176.265 174.700 -0.446 0.000 1.037 303 T CA 1.520 63.401 62.100 -0.364 0.000 1.146 303 T CB -0.412 68.239 68.868 -0.361 0.000 0.865 303 T HN 0.339 nan 8.240 nan 0.000 0.435 304 L N 0.707 121.714 121.223 -0.361 0.000 2.083 304 L HA -0.166 4.166 4.340 -0.012 0.000 0.209 304 L C 2.919 179.670 176.870 -0.197 0.000 1.083 304 L CA 1.399 56.078 54.840 -0.268 0.000 0.752 304 L CB -0.525 41.415 42.059 -0.197 0.000 0.899 304 L HN 0.357 nan 8.230 nan 0.000 0.433 305 Q N -0.658 119.024 119.800 -0.195 0.000 2.124 305 Q HA -0.244 4.089 4.340 -0.012 0.000 0.202 305 Q C 1.726 177.691 176.000 -0.058 0.000 0.977 305 Q CA 1.659 57.399 55.803 -0.106 0.000 0.850 305 Q CB -0.108 28.560 28.738 -0.118 0.000 0.901 305 Q HN 0.408 nan 8.270 nan 0.000 0.429 306 D N 0.555 120.908 120.400 -0.079 0.000 2.117 306 D HA -0.084 4.549 4.640 -0.012 0.000 0.198 306 D C 1.671 177.893 176.300 -0.131 0.000 0.982 306 D CA 0.798 54.786 54.000 -0.020 0.000 0.828 306 D CB 0.000 40.898 40.800 0.163 0.000 0.967 306 D HN 0.143 nan 8.370 nan 0.000 0.464 307 I N 0.157 120.540 120.570 -0.311 0.000 2.163 307 I HA -0.258 3.905 4.170 -0.012 0.000 0.243 307 I C 2.295 178.398 176.117 -0.023 0.000 1.085 307 I CA 0.828 61.883 61.300 -0.408 0.000 1.347 307 I CB -0.164 37.444 38.000 -0.653 0.000 1.044 307 I HN 0.052 nan 8.210 nan 0.000 0.408 308 I N 0.169 120.791 120.570 0.086 0.000 2.226 308 I HA -0.294 3.868 4.170 -0.012 0.000 0.245 308 I C 2.780 179.048 176.117 0.251 0.000 1.100 308 I CA 1.159 62.630 61.300 0.285 0.000 1.374 308 I CB -0.418 37.712 38.000 0.217 0.000 1.057 308 I HN 0.192 nan 8.210 nan 0.000 0.413 309 R N 1.182 121.760 120.500 0.129 0.000 2.083 309 R HA -0.232 4.101 4.340 -0.012 0.000 0.237 309 R C 2.490 178.853 176.300 0.104 0.000 1.137 309 R CA 1.826 57.992 56.100 0.109 0.000 0.951 309 R CB -0.282 30.066 30.300 0.079 0.000 0.851 309 R HN 0.218 nan 8.270 nan 0.000 0.434 310 R N -0.636 119.914 120.500 0.082 0.000 2.096 310 R HA -0.158 4.174 4.340 -0.012 0.000 0.235 310 R C 2.190 178.564 176.300 0.124 0.000 1.127 310 R CA 1.644 57.798 56.100 0.089 0.000 0.968 310 R CB -0.346 29.988 30.300 0.058 0.000 0.861 310 R HN 0.296 nan 8.270 nan 0.000 0.440 311 F N 1.368 121.331 119.950 0.021 0.000 2.186 311 F HA -0.117 4.403 4.527 -0.013 0.000 0.299 311 F C 1.693 177.481 175.800 -0.021 0.000 1.090 311 F CA 1.510 59.510 58.000 -0.000 0.000 1.307 311 F CB 0.071 39.108 39.000 0.060 0.000 1.019 311 F HN -0.144 nan 8.300 nan 0.000 0.489 312 K N -0.255 120.097 120.400 -0.079 0.000 2.103 312 K HA -0.021 4.291 4.320 -0.012 0.000 0.204 312 K C 1.598 178.102 176.600 -0.159 0.000 1.052 312 K CA 1.220 57.390 56.287 -0.196 0.000 0.945 312 K CB -0.264 32.235 32.500 -0.001 0.000 0.722 312 K HN 0.086 nan 8.250 nan 0.000 0.443 313 S N 1.539 117.211 115.700 -0.046 0.000 2.906 313 S HA 0.064 4.527 4.470 -0.012 0.000 0.234 313 S C 0.238 174.813 174.600 -0.041 0.000 0.973 313 S CA -0.171 58.042 58.200 0.022 0.000 1.036 313 S CB -0.087 63.196 63.200 0.138 0.000 0.798 313 S HN 0.137 nan 8.310 nan 0.000 0.498 325 N N 0.765 119.453 118.700 -0.020 0.000 2.500 325 N HA 0.307 5.039 4.740 -0.012 0.000 0.236 325 N C -0.532 175.049 175.510 0.119 0.000 1.022 325 N CA -0.125 52.969 53.050 0.074 0.000 0.935 325 N CB 0.279 38.801 38.487 0.058 0.000 1.147 325 N HN 0.138 nan 8.380 nan 0.000 0.512 326 F N 1.812 121.872 119.950 0.182 0.000 2.811 326 F HA 0.070 4.590 4.527 -0.013 0.000 0.301 326 F C 1.429 177.291 175.800 0.103 0.000 1.151 326 F CA 0.050 58.126 58.000 0.128 0.000 1.412 326 F CB 0.313 39.272 39.000 -0.067 0.000 1.113 326 F HN 0.469 nan 8.300 nan 0.000 0.579 327 D N 0.435 120.974 120.400 0.231 0.000 2.182 327 D HA -0.182 4.451 4.640 -0.012 0.000 0.201 327 D C 2.152 178.542 176.300 0.151 0.000 0.986 327 D CA 1.344 55.437 54.000 0.154 0.000 0.847 327 D CB -0.141 40.726 40.800 0.111 0.000 0.942 327 D HN 0.233 nan 8.370 nan 0.000 0.467 328 A N -0.898 122.039 122.820 0.196 0.000 2.275 328 A HA 0.112 4.424 4.320 -0.012 0.000 0.212 328 A C 1.558 179.266 177.584 0.207 0.000 1.201 328 A CA -0.295 51.855 52.037 0.189 0.000 0.843 328 A CB -0.741 18.372 19.000 0.189 0.000 0.873 328 A HN 0.209 nan 8.150 nan 0.000 0.492 329 F N 1.944 121.863 119.950 -0.052 0.000 2.065 329 F HA -0.124 4.395 4.527 -0.012 0.000 0.298 329 F C -0.797 174.905 175.800 -0.164 0.000 1.112 329 F CA 2.479 60.245 58.000 -0.389 0.000 1.212 329 F CB -0.520 38.235 39.000 -0.407 0.000 0.975 329 F HN 0.197 nan 8.300 nan 0.000 0.476 330 P HA -0.081 nan 4.420 nan 0.000 0.226 330 P C 0.646 177.912 177.300 -0.056 0.000 1.153 330 P CA 1.325 64.404 63.100 -0.034 0.000 0.777 330 P CB -0.074 31.630 31.700 0.006 0.000 0.794 331 D N -0.718 119.667 120.400 -0.025 0.000 2.317 331 D HA -0.032 4.600 4.640 -0.012 0.000 0.211 331 D C 1.498 177.784 176.300 -0.024 0.000 0.966 331 D CA 0.914 54.908 54.000 -0.010 0.000 0.876 331 D CB 0.110 40.923 40.800 0.021 0.000 0.927 331 D HN 0.158 nan 8.370 nan 0.000 0.519 332 K N -0.008 120.356 120.400 -0.059 0.000 2.412 332 K HA 0.211 4.524 4.320 -0.012 0.000 0.202 332 K C -0.145 176.372 176.600 -0.138 0.000 1.102 332 K CA 0.078 56.337 56.287 -0.046 0.000 1.027 332 K CB 2.442 35.007 32.500 0.108 0.000 0.931 332 K HN -0.070 nan 8.250 nan 0.000 0.557 333 V N 1.115 120.870 119.914 -0.265 0.000 2.623 333 V HA 0.580 4.692 4.120 -0.012 0.000 0.304 333 V C -1.088 174.928 176.094 -0.130 0.000 1.054 333 V CA -1.238 60.903 62.300 -0.266 0.000 0.882 333 V CB 1.786 33.143 31.823 -0.777 0.000 1.002 333 V HN 0.117 nan 8.190 nan 0.000 0.424 334 A N 5.845 128.634 122.820 -0.051 0.000 2.343 334 A HA 0.930 5.242 4.320 -0.012 0.000 0.316 334 A C -0.923 176.693 177.584 0.054 0.000 1.104 334 A CA -0.493 51.549 52.037 0.008 0.000 0.768 334 A CB 0.957 19.917 19.000 -0.067 0.000 1.213 334 A HN 0.775 nan 8.150 nan 0.000 0.456 335 I N 1.814 122.458 120.570 0.125 0.000 2.355 335 I HA 0.299 4.462 4.170 -0.012 0.000 0.288 335 I C -0.266 175.945 176.117 0.156 0.000 0.999 335 I CA -0.537 60.845 61.300 0.137 0.000 1.163 335 I CB 1.907 39.966 38.000 0.098 0.000 1.316 335 I HN 0.687 nan 8.210 nan 0.000 0.454 336 Q N 6.772 126.663 119.800 0.151 0.000 2.314 336 Q HA 0.504 4.837 4.340 -0.012 0.000 0.259 336 Q C -1.307 174.688 176.000 -0.008 0.000 0.951 336 Q CA -0.257 55.653 55.803 0.179 0.000 0.909 336 Q CB 1.265 30.210 28.738 0.346 0.000 1.236 336 Q HN 0.565 nan 8.270 nan 0.000 0.444 337 L N 3.729 124.985 121.223 0.056 0.000 2.260 337 L HA 0.402 4.734 4.340 -0.012 0.000 0.289 337 L C 0.061 176.956 176.870 0.042 0.000 1.057 337 L CA -0.733 54.134 54.840 0.045 0.000 0.811 337 L CB 0.671 42.803 42.059 0.121 0.000 1.184 337 L HN 0.554 nan 8.230 nan 0.000 0.429 338 N N 4.669 123.324 118.700 -0.074 0.000 2.482 338 N HA 0.069 4.802 4.740 -0.012 0.000 0.242 338 N C -0.067 175.457 175.510 0.024 0.000 1.100 338 N CA 0.438 53.484 53.050 -0.007 0.000 0.946 338 N CB -0.018 38.371 38.487 -0.164 0.000 1.227 338 N HN 0.679 nan 8.380 nan 0.000 0.508 339 D N -0.090 120.420 120.400 0.183 0.000 4.136 339 D HA -0.242 4.391 4.640 -0.012 0.000 0.291 339 D C 0.181 176.561 176.300 0.133 0.000 2.238 339 D CA 1.641 55.723 54.000 0.137 0.000 1.141 339 D CB -0.389 40.262 40.800 -0.249 0.000 1.027 339 D HN 0.532 nan 8.370 nan 0.000 1.223 340 T N -2.557 112.001 114.554 0.007 0.000 3.129 340 T HA 0.090 4.433 4.350 -0.012 0.000 0.251 340 T C 1.548 176.307 174.700 0.099 0.000 1.117 340 T CA 1.318 63.420 62.100 0.004 0.000 1.034 340 T CB -0.467 68.380 68.868 -0.035 0.000 0.968 340 T HN 0.476 nan 8.240 nan 0.000 0.526 341 H N 2.619 121.781 119.070 0.154 0.000 2.390 341 H HA -0.001 4.548 4.556 -0.013 0.000 0.298 341 H C -0.917 174.502 175.328 0.152 0.000 1.106 341 H CA 0.989 57.142 56.048 0.176 0.000 1.297 341 H CB -0.921 28.945 29.762 0.173 0.000 1.375 341 H HN 0.443 nan 8.280 nan 0.000 0.509 342 P HA 0.092 nan 4.420 nan 0.000 0.262 342 P C 0.707 178.048 177.300 0.068 0.000 1.651 342 P CA 0.296 63.474 63.100 0.130 0.000 1.119 342 P CB 0.403 32.169 31.700 0.111 0.000 1.552 343 S N -0.243 115.490 115.700 0.056 0.000 2.440 343 S HA -0.137 4.325 4.470 -0.012 0.000 0.238 343 S C 1.720 176.316 174.600 -0.007 0.000 1.010 343 S CA 0.855 59.047 58.200 -0.013 0.000 0.972 343 S CB -1.486 61.684 63.200 -0.050 0.000 0.774 343 S HN 0.152 nan 8.310 nan 0.000 0.501 344 L N 1.026 122.258 121.223 0.015 0.000 2.456 344 L HA 0.025 4.358 4.340 -0.012 0.000 0.224 344 L C 2.942 179.832 176.870 0.033 0.000 1.148 344 L CA 0.625 55.470 54.840 0.008 0.000 0.825 344 L CB -0.769 41.287 42.059 -0.004 0.000 0.937 344 L HN 0.465 nan 8.230 nan 0.000 0.450 345 A N 0.603 123.429 122.820 0.010 0.000 1.986 345 A HA -0.220 4.092 4.320 -0.012 0.000 0.220 345 A C 2.189 179.763 177.584 -0.017 0.000 1.171 345 A CA 1.667 53.696 52.037 -0.013 0.000 0.640 345 A CB -0.518 18.468 19.000 -0.022 0.000 0.811 345 A HN 0.387 nan 8.150 nan 0.000 0.451 346 I N 0.155 120.716 120.570 -0.015 0.000 2.133 346 I HA -0.136 4.026 4.170 -0.012 0.000 0.238 346 I C -0.381 175.743 176.117 0.012 0.000 1.074 346 I CA 1.494 62.780 61.300 -0.023 0.000 1.342 346 I CB -0.909 37.076 38.000 -0.024 0.000 1.053 346 I HN 0.248 nan 8.210 nan 0.000 0.404 347 P HA -0.152 nan 4.420 nan 0.000 0.222 347 P C 1.280 178.618 177.300 0.064 0.000 1.153 347 P CA 1.398 64.536 63.100 0.064 0.000 0.798 347 P CB 0.056 31.817 31.700 0.101 0.000 0.796 348 E N 0.370 120.664 120.200 0.158 0.000 2.072 348 E HA -0.161 4.181 4.350 -0.012 0.000 0.191 348 E C 1.922 178.508 176.600 -0.024 0.000 0.985 348 E CA 0.744 57.247 56.400 0.172 0.000 0.801 348 E CB -1.220 28.619 29.700 0.231 0.000 0.750 348 E HN -0.014 nan 8.360 nan 0.000 0.452 349 L N -0.029 121.145 121.223 -0.082 0.000 2.046 349 L HA -0.119 4.213 4.340 -0.012 0.000 0.208 349 L C 2.102 178.821 176.870 -0.252 0.000 1.077 349 L CA 1.793 56.522 54.840 -0.186 0.000 0.747 349 L CB -0.616 41.331 42.059 -0.186 0.000 0.896 349 L HN 0.239 nan 8.230 nan 0.000 0.432 350 M N -0.766 118.702 119.600 -0.220 0.000 2.108 350 M HA -0.232 4.240 4.480 -0.012 0.000 0.261 350 M C 2.435 178.565 176.300 -0.284 0.000 1.066 350 M CA 1.611 56.730 55.300 -0.303 0.000 1.107 350 M CB -1.260 31.151 32.600 -0.317 0.000 1.356 350 M HN 0.341 nan 8.290 nan 0.000 0.406 351 R N 0.039 120.404 120.500 -0.225 0.000 2.080 351 R HA -0.133 4.199 4.340 -0.012 0.000 0.236 351 R C 2.085 178.275 176.300 -0.184 0.000 1.137 351 R CA 1.754 57.722 56.100 -0.220 0.000 0.943 351 R CB -0.227 29.894 30.300 -0.299 0.000 0.846 351 R HN 0.218 nan 8.270 nan 0.000 0.431 352 V N 1.562 121.366 119.914 -0.182 0.000 2.287 352 V HA -0.270 3.843 4.120 -0.012 0.000 0.248 352 V C 2.443 178.365 176.094 -0.288 0.000 1.053 352 V CA 1.796 63.979 62.300 -0.196 0.000 1.027 352 V CB -0.444 31.262 31.823 -0.194 0.000 0.646 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.635 120.356 121.223 -0.387 0.000 2.056 353 L HA -0.124 4.209 4.340 -0.012 0.000 0.207 353 L C 2.396 179.073 176.870 -0.322 0.000 1.078 353 L CA 1.127 55.671 54.840 -0.494 0.000 0.749 353 L CB -0.552 41.173 42.059 -0.557 0.000 0.901 353 L HN 0.213 nan 8.230 nan 0.000 0.433 354 V N -0.601 119.169 119.914 -0.241 0.000 2.331 354 V HA -0.178 3.934 4.120 -0.012 0.000 0.242 354 V C 1.921 177.967 176.094 -0.081 0.000 1.034 354 V CA 1.667 63.889 62.300 -0.129 0.000 1.027 354 V CB -0.355 31.423 31.823 -0.076 0.000 0.667 354 V HN 0.357 nan 8.190 nan 0.000 0.457 355 D N -0.087 120.259 120.400 -0.091 0.000 2.162 355 D HA 0.020 4.653 4.640 -0.012 0.000 0.203 355 D C 2.017 178.282 176.300 -0.058 0.000 0.967 355 D CA 1.063 55.026 54.000 -0.060 0.000 0.840 355 D CB 0.122 40.883 40.800 -0.064 0.000 0.972 355 D HN 0.331 nan 8.370 nan 0.000 0.482 356 L N 0.167 121.339 121.223 -0.085 0.000 2.362 356 L HA 0.125 4.457 4.340 -0.012 0.000 0.204 356 L C 1.843 178.678 176.870 -0.060 0.000 1.060 356 L CA 0.517 55.319 54.840 -0.064 0.000 0.827 356 L CB 0.137 42.158 42.059 -0.063 0.000 1.027 356 L HN -0.196 nan 8.230 nan 0.000 0.474 357 E N 0.277 120.406 120.200 -0.118 0.000 2.452 357 E HA 0.064 4.406 4.350 -0.012 0.000 0.197 357 E C 0.134 176.695 176.600 -0.065 0.000 1.022 357 E CA -0.046 56.294 56.400 -0.099 0.000 0.890 357 E CB 0.452 29.981 29.700 -0.284 0.000 0.918 357 E HN 0.197 nan 8.360 nan 0.000 0.496 358 R N -0.248 120.208 120.500 -0.074 0.000 3.776 358 R HA -0.183 4.149 4.340 -0.012 0.000 0.312 358 R C -0.284 175.999 176.300 -0.029 0.000 1.181 358 R CA 0.232 56.313 56.100 -0.032 0.000 0.836 358 R CB -2.840 27.459 30.300 -0.001 0.000 1.324 358 R HN 0.085 nan 8.270 nan 0.000 0.501 359 L N 2.642 123.819 121.223 -0.078 0.000 2.439 359 L HA 0.083 4.416 4.340 -0.012 0.000 0.269 359 L C 1.503 178.362 176.870 -0.018 0.000 1.179 359 L CA 0.469 55.273 54.840 -0.060 0.000 0.828 359 L CB 0.343 42.317 42.059 -0.141 0.000 1.106 359 L HN 0.130 nan 8.230 nan 0.000 0.467 360 D N 1.455 121.871 120.400 0.026 0.000 2.368 360 D HA -0.159 4.473 4.640 -0.012 0.000 0.240 360 D C 0.949 177.316 176.300 0.111 0.000 1.169 360 D CA -0.486 53.566 54.000 0.085 0.000 0.906 360 D CB 0.662 41.519 40.800 0.094 0.000 1.187 360 D HN 0.617 nan 8.370 nan 0.000 0.435 361 W N 1.777 123.080 121.300 0.005 0.000 2.317 361 W HA -0.230 4.422 4.660 -0.012 0.000 0.318 361 W C 1.130 177.694 176.519 0.075 0.000 1.227 361 W CA 1.930 59.285 57.345 0.018 0.000 1.269 361 W CB -0.277 29.175 29.460 -0.013 0.000 1.155 361 W HN 0.460 nan 8.180 nan 0.000 0.484 362 D N 0.236 120.833 120.400 0.328 0.000 2.144 362 D HA -0.189 4.444 4.640 -0.012 0.000 0.199 362 D C 1.874 178.277 176.300 0.171 0.000 0.984 362 D CA 1.805 55.974 54.000 0.281 0.000 0.834 362 D CB -0.362 40.576 40.800 0.229 0.000 0.955 362 D HN 0.099 nan 8.370 nan 0.000 0.465 363 K N 1.308 121.766 120.400 0.095 0.000 2.025 363 K HA 0.010 4.322 4.320 -0.012 0.000 0.207 363 K C 1.878 178.465 176.600 -0.021 0.000 1.049 363 K CA 1.419 57.733 56.287 0.045 0.000 0.933 363 K CB -0.550 31.972 32.500 0.036 0.000 0.714 363 K HN -0.018 nan 8.250 nan 0.000 0.438 364 A N 0.823 123.587 122.820 -0.093 0.000 1.883 364 A HA -0.208 4.104 4.320 -0.012 0.000 0.217 364 A C 2.259 179.735 177.584 -0.179 0.000 1.186 364 A CA 1.629 53.538 52.037 -0.214 0.000 0.624 364 A CB -1.290 17.516 19.000 -0.323 0.000 0.822 364 A HN 0.709 nan 8.150 nan 0.000 0.444 365 W N 0.647 121.733 121.300 -0.357 0.000 2.355 365 W HA -0.195 4.458 4.660 -0.012 0.000 0.309 365 W C 2.023 178.480 176.519 -0.103 0.000 1.206 365 W CA 1.966 59.153 57.345 -0.264 0.000 1.284 365 W CB -0.199 29.144 29.460 -0.195 0.000 1.145 365 W HN 0.630 nan 8.180 nan 0.000 0.502 366 E N 0.116 120.297 120.200 -0.032 0.000 2.058 366 E HA -0.236 4.106 4.350 -0.012 0.000 0.194 366 E C 2.053 178.571 176.600 -0.137 0.000 0.997 366 E CA 2.107 58.458 56.400 -0.082 0.000 0.801 366 E CB -0.368 29.347 29.700 0.025 0.000 0.746 366 E HN 0.057 nan 8.360 nan 0.000 0.450 367 V N 0.757 120.605 119.914 -0.111 0.000 2.287 367 V HA -0.282 3.831 4.120 -0.012 0.000 0.248 367 V C 2.423 178.442 176.094 -0.125 0.000 1.053 367 V CA 2.251 64.501 62.300 -0.082 0.000 1.027 367 V CB -0.840 30.926 31.823 -0.094 0.000 0.646 367 V HN 0.407 nan 8.190 nan 0.000 0.447 368 T N 0.019 114.422 114.554 -0.251 0.000 2.652 368 T HA -0.190 4.153 4.350 -0.012 0.000 0.267 368 T C 1.942 176.452 174.700 -0.316 0.000 1.039 368 T CA 1.823 63.746 62.100 -0.295 0.000 1.153 368 T CB -0.325 68.302 68.868 -0.402 0.000 0.863 368 T HN 0.272 nan 8.240 nan 0.000 0.428 369 V N 1.402 121.011 119.914 -0.508 0.000 2.332 369 V HA -0.185 3.927 4.120 -0.012 0.000 0.248 369 V C 2.358 178.408 176.094 -0.073 0.000 1.055 369 V CA 1.676 63.741 62.300 -0.392 0.000 1.038 369 V CB -0.494 31.021 31.823 -0.512 0.000 0.651 369 V HN 0.469 nan 8.190 nan 0.000 0.450 370 K N -0.578 119.767 120.400 -0.092 0.000 2.365 370 K HA -0.079 4.233 4.320 -0.012 0.000 0.199 370 K C 2.079 178.668 176.600 -0.018 0.000 1.045 370 K CA 1.453 57.680 56.287 -0.100 0.000 0.962 370 K CB -0.180 32.254 32.500 -0.110 0.000 0.759 370 K HN 0.474 nan 8.250 nan 0.000 0.469 371 T N 0.159 114.750 114.554 0.062 0.000 2.939 371 T HA 0.019 4.361 4.350 -0.012 0.000 0.254 371 T C 0.884 175.696 174.700 0.186 0.000 1.041 371 T CA 0.416 62.589 62.100 0.121 0.000 1.142 371 T CB 0.121 69.092 68.868 0.173 0.000 0.874 371 T HN 0.163 nan 8.240 nan 0.000 0.452 372 C N 2.355 121.743 119.300 0.146 0.000 2.365 372 C HA 0.887 5.339 4.460 -0.012 0.000 0.351 372 C C 0.592 175.624 174.990 0.070 0.000 1.240 372 C CA -1.225 57.852 59.018 0.098 0.000 2.062 372 C CB 0.137 27.873 27.740 -0.007 0.000 2.387 372 C HN 0.596 nan 8.230 nan 0.000 0.537 373 A N 2.137 124.998 122.820 0.067 0.000 2.498 373 A HA 0.799 5.112 4.320 -0.012 0.000 0.298 373 A C -1.594 176.053 177.584 0.106 0.000 1.075 373 A CA -0.441 51.582 52.037 -0.023 0.000 0.714 373 A CB 1.121 20.101 19.000 -0.034 0.000 1.299 373 A HN 0.949 nan 8.150 nan 0.000 0.407 374 Y N 0.871 121.112 120.300 -0.098 0.000 2.361 374 Y HA 0.620 5.163 4.550 -0.012 0.000 0.337 374 Y C -0.624 175.249 175.900 -0.046 0.000 0.965 374 Y CA -0.319 57.734 58.100 -0.078 0.000 1.091 374 Y CB 2.067 40.434 38.460 -0.156 0.000 1.182 374 Y HN 0.572 nan 8.280 nan 0.000 0.450 375 T N 6.529 120.863 114.554 -0.366 0.000 2.758 375 T HA 0.180 4.523 4.350 -0.012 0.000 0.285 375 T C -0.723 173.501 174.700 -0.794 0.000 0.981 375 T CA -0.779 61.037 62.100 -0.474 0.000 0.965 375 T CB 0.430 69.263 68.868 -0.058 0.000 0.927 375 T HN 0.651 nan 8.240 nan 0.000 0.448 376 N N 1.940 120.155 118.700 -0.808 0.000 2.499 376 N HA 0.098 4.831 4.740 -0.012 0.000 0.281 376 N C 0.080 175.443 175.510 -0.245 0.000 1.098 376 N CA -0.258 52.564 53.050 -0.380 0.000 0.979 376 N CB 0.670 39.125 38.487 -0.054 0.000 1.121 376 N HN 0.679 nan 8.380 nan 0.000 0.466 377 H N 1.161 120.249 119.070 0.030 0.000 2.784 377 H HA 0.165 4.714 4.556 -0.013 0.000 0.273 377 H C -0.192 175.058 175.328 -0.130 0.000 1.112 377 H CA -0.058 55.964 56.048 -0.044 0.000 1.162 377 H CB 1.100 30.843 29.762 -0.031 0.000 1.586 377 H HN 0.493 nan 8.280 nan 0.000 0.548 378 T N 0.349 114.919 114.554 0.026 0.000 2.886 378 T HA 0.220 4.562 4.350 -0.012 0.000 0.330 378 T C 0.455 175.159 174.700 0.007 0.000 1.488 378 T CA -0.402 61.662 62.100 -0.061 0.000 1.054 378 T CB 1.437 70.268 68.868 -0.061 0.000 1.348 378 T HN -0.023 nan 8.240 nan 0.000 0.489 379 V N 1.726 121.602 119.914 -0.062 0.000 3.528 379 V HA 0.558 4.670 4.120 -0.012 0.000 0.294 379 V C 0.651 176.695 176.094 -0.084 0.000 1.404 379 V CA -0.020 62.240 62.300 -0.066 0.000 1.065 379 V CB -0.287 31.503 31.823 -0.055 0.000 0.904 379 V HN 0.690 nan 8.190 nan 0.000 0.435 380 L N 3.236 124.398 121.223 -0.102 0.000 2.500 380 L HA 0.236 4.568 4.340 -0.012 0.000 0.272 380 L C -0.648 176.202 176.870 -0.033 0.000 1.149 380 L CA -0.978 53.826 54.840 -0.061 0.000 0.897 380 L CB 1.205 43.217 42.059 -0.079 0.000 1.178 380 L HN 0.161 nan 8.230 nan 0.000 0.473 381 P HA -0.200 nan 4.420 nan 0.000 0.217 381 P C 0.984 178.254 177.300 -0.051 0.000 1.150 381 P CA 1.142 64.221 63.100 -0.036 0.000 0.832 381 P CB 0.070 31.758 31.700 -0.019 0.000 0.787 382 E N 0.407 120.598 120.200 -0.015 0.000 2.409 382 E HA -0.056 4.287 4.350 -0.012 0.000 0.198 382 E C 1.531 178.057 176.600 -0.123 0.000 1.024 382 E CA 1.065 57.422 56.400 -0.070 0.000 0.861 382 E CB -0.697 29.060 29.700 0.096 0.000 0.788 382 E HN 0.204 nan 8.360 nan 0.000 0.521 383 A N 1.165 123.958 122.820 -0.044 0.000 2.220 383 A HA 0.244 4.556 4.320 -0.012 0.000 0.211 383 A C 1.297 178.846 177.584 -0.058 0.000 1.176 383 A CA -0.357 51.679 52.037 -0.002 0.000 0.834 383 A CB 0.002 19.026 19.000 0.040 0.000 0.868 383 A HN 0.149 nan 8.150 nan 0.000 0.488 384 L N 1.714 122.855 121.223 -0.137 0.000 2.455 384 L HA 0.091 4.423 4.340 -0.012 0.000 0.272 384 L C -0.088 176.438 176.870 -0.573 0.000 1.174 384 L CA 0.028 54.733 54.840 -0.224 0.000 0.869 384 L CB 0.468 42.429 42.059 -0.164 0.000 1.130 384 L HN 0.383 nan 8.230 nan 0.000 0.474 385 E N 4.396 124.187 120.200 -0.682 0.000 2.217 385 E HA 0.211 4.554 4.350 -0.012 0.000 0.279 385 E C -0.586 175.358 176.600 -1.094 0.000 1.068 385 E CA -0.166 55.386 56.400 -1.412 0.000 0.882 385 E CB 0.699 29.953 29.700 -0.744 0.000 1.039 385 E HN 0.397 nan 8.360 nan 0.000 0.418 386 R N 3.632 123.299 120.500 -1.389 0.000 2.487 386 R HA 0.188 4.520 4.340 -0.012 0.000 0.288 386 R C -1.279 174.833 176.300 -0.313 0.000 1.394 386 R CA -0.535 55.226 56.100 -0.564 0.000 1.155 386 R CB 0.743 30.843 30.300 -0.333 0.000 1.156 386 R HN 0.459 nan 8.270 nan 0.000 0.553 387 W N 4.364 125.621 121.300 -0.071 0.000 2.304 387 W HA 0.243 4.896 4.660 -0.013 0.000 0.313 387 W C -1.859 174.652 176.519 -0.013 0.000 1.323 387 W CA -2.015 55.364 57.345 0.057 0.000 1.223 387 W CB 0.615 30.083 29.460 0.013 0.000 1.237 387 W HN 0.246 nan 8.180 nan 0.000 0.535 388 P HA -0.096 nan 4.420 nan 0.000 0.265 388 P C 0.792 178.056 177.300 -0.061 0.000 1.193 388 P CA 0.209 63.310 63.100 0.001 0.000 0.765 388 P CB 0.752 32.301 31.700 -0.251 0.000 0.823 389 V N 3.191 123.114 119.914 0.015 0.000 2.392 389 V HA -0.284 3.829 4.120 -0.012 0.000 0.249 389 V C 2.137 178.245 176.094 0.024 0.000 1.059 389 V CA 2.547 64.871 62.300 0.040 0.000 1.051 389 V CB -1.683 30.222 31.823 0.137 0.000 0.658 389 V HN 0.766 nan 8.190 nan 0.000 0.455 390 H N -1.177 117.958 119.070 0.108 0.000 2.456 390 H HA -0.090 4.458 4.556 -0.012 0.000 0.296 390 H C 2.048 177.432 175.328 0.094 0.000 1.079 390 H CA 1.640 57.747 56.048 0.098 0.000 1.322 390 H CB -0.568 29.252 29.762 0.096 0.000 1.388 390 H HN 0.351 nan 8.280 nan 0.000 0.538 391 L N 0.045 121.100 121.223 -0.279 0.000 2.005 391 L HA -0.115 4.218 4.340 -0.012 0.000 0.207 391 L C 2.382 179.210 176.870 -0.069 0.000 1.072 391 L CA 1.182 55.966 54.840 -0.094 0.000 0.744 391 L CB -0.271 41.730 42.059 -0.096 0.000 0.895 391 L HN 0.330 nan 8.230 nan 0.000 0.433 392 L N -0.652 120.507 121.223 -0.107 0.000 2.141 392 L HA -0.230 4.103 4.340 -0.012 0.000 0.209 392 L C 2.495 179.309 176.870 -0.094 0.000 1.094 392 L CA 1.069 55.820 54.840 -0.148 0.000 0.763 392 L CB -0.440 41.518 42.059 -0.169 0.000 0.908 392 L HN 0.338 nan 8.230 nan 0.000 0.437 393 E N -0.301 119.887 120.200 -0.020 0.000 2.077 393 E HA -0.201 4.142 4.350 -0.012 0.000 0.193 393 E C 1.921 178.565 176.600 0.073 0.000 0.989 393 E CA 1.857 58.276 56.400 0.032 0.000 0.800 393 E CB 0.154 29.911 29.700 0.095 0.000 0.746 393 E HN 0.443 nan 8.360 nan 0.000 0.452 394 T N 0.920 115.542 114.554 0.113 0.000 2.809 394 T HA -0.090 4.252 4.350 -0.012 0.000 0.260 394 T C 1.772 176.600 174.700 0.212 0.000 1.039 394 T CA 0.800 63.022 62.100 0.202 0.000 1.141 394 T CB -0.159 68.859 68.868 0.251 0.000 0.869 394 T HN 0.082 nan 8.240 nan 0.000 0.437 395 L N -0.046 121.203 121.223 0.042 0.000 2.095 395 L HA 0.343 4.676 4.340 -0.012 0.000 0.204 395 L C 0.470 177.294 176.870 -0.077 0.000 1.080 395 L CA 1.580 56.330 54.840 -0.150 0.000 0.759 395 L CB 0.030 41.956 42.059 -0.222 0.000 0.914 395 L HN 0.176 nan 8.230 nan 0.000 0.439 396 L N 0.690 121.827 121.223 -0.144 0.000 2.625 396 L HA 0.285 4.618 4.340 -0.012 0.000 0.255 396 L C -1.701 174.988 176.870 -0.302 0.000 1.493 396 L CA -0.926 53.739 54.840 -0.292 0.000 0.796 396 L CB 0.862 42.612 42.059 -0.515 0.000 1.064 396 L HN -0.045 nan 8.230 nan 0.000 0.516 397 P HA -0.199 nan 4.420 nan 0.000 0.216 397 P C 1.435 178.540 177.300 -0.326 0.000 1.150 397 P CA 1.149 64.129 63.100 -0.200 0.000 0.837 397 P CB 0.389 32.048 31.700 -0.069 0.000 0.786 398 R N -0.149 119.967 120.500 -0.639 0.000 2.090 398 R HA -0.118 4.215 4.340 -0.012 0.000 0.228 398 R C 2.305 178.282 176.300 -0.539 0.000 1.110 398 R CA 1.595 57.319 56.100 -0.626 0.000 0.973 398 R CB -1.659 28.097 30.300 -0.907 0.000 0.869 398 R HN 0.242 nan 8.270 nan 0.000 0.440 399 H N -0.283 118.467 119.070 -0.533 0.000 2.387 399 H HA -0.056 4.492 4.556 -0.012 0.000 0.299 399 H C 1.814 176.965 175.328 -0.295 0.000 1.090 399 H CA 1.654 57.475 56.048 -0.377 0.000 1.332 399 H CB -0.111 29.392 29.762 -0.433 0.000 1.386 399 H HN 0.083 nan 8.280 nan 0.000 0.516 400 L N 0.510 121.600 121.223 -0.221 0.000 2.017 400 L HA -0.257 4.076 4.340 -0.012 0.000 0.208 400 L C 1.957 178.607 176.870 -0.367 0.000 1.073 400 L CA 1.615 56.247 54.840 -0.346 0.000 0.745 400 L CB -0.307 41.562 42.059 -0.317 0.000 0.894 400 L HN 0.441 nan 8.230 nan 0.000 0.432 401 Q N -0.301 119.402 119.800 -0.161 0.000 2.096 401 Q HA -0.256 4.076 4.340 -0.012 0.000 0.204 401 Q C 2.167 178.184 176.000 0.029 0.000 0.982 401 Q CA 1.790 57.599 55.803 0.010 0.000 0.850 401 Q CB -0.146 28.608 28.738 0.028 0.000 0.901 401 Q HN 0.550 nan 8.270 nan 0.000 0.422 402 I N 0.359 120.927 120.570 -0.003 0.000 2.286 402 I HA -0.275 3.887 4.170 -0.012 0.000 0.248 402 I C 2.111 178.317 176.117 0.147 0.000 1.115 402 I CA 1.042 62.430 61.300 0.147 0.000 1.392 402 I CB -0.098 37.941 38.000 0.064 0.000 1.065 402 I HN 0.201 nan 8.210 nan 0.000 0.418 403 I N -0.682 119.887 120.570 -0.000 0.000 2.315 403 I HA -0.304 3.858 4.170 -0.012 0.000 0.248 403 I C 2.306 178.447 176.117 0.041 0.000 1.117 403 I CA 1.258 62.549 61.300 -0.016 0.000 1.404 403 I CB -0.351 37.571 38.000 -0.129 0.000 1.071 403 I HN 0.173 nan 8.210 nan 0.000 0.419 404 Y N 0.892 121.201 120.300 0.015 0.000 2.181 404 Y HA -0.257 4.285 4.550 -0.012 0.000 0.288 404 Y C 2.612 178.480 175.900 -0.052 0.000 1.146 404 Y CA 1.469 59.562 58.100 -0.011 0.000 1.164 404 Y CB -0.756 37.689 38.460 -0.025 0.000 0.982 404 Y HN 0.183 nan 8.280 nan 0.000 0.515 405 E N 0.394 120.636 120.200 0.070 0.000 2.072 405 E HA -0.135 4.207 4.350 -0.012 0.000 0.191 405 E C 2.061 178.583 176.600 -0.131 0.000 0.985 405 E CA 1.217 57.514 56.400 -0.172 0.000 0.801 405 E CB -0.535 28.874 29.700 -0.485 0.000 0.750 405 E HN 0.468 nan 8.360 nan 0.000 0.452 406 I N 0.718 121.323 120.570 0.059 0.000 2.163 406 I HA -0.300 3.863 4.170 -0.012 0.000 0.243 406 I C 2.287 178.410 176.117 0.009 0.000 1.085 406 I CA 1.426 62.715 61.300 -0.019 0.000 1.347 406 I CB -0.438 37.562 38.000 -0.000 0.000 1.044 406 I HN 0.215 nan 8.210 nan 0.000 0.408 407 N N 0.770 119.521 118.700 0.086 0.000 2.084 407 N HA -0.271 4.461 4.740 -0.012 0.000 0.190 407 N C 1.868 177.460 175.510 0.137 0.000 1.030 407 N CA 1.626 54.773 53.050 0.161 0.000 0.849 407 N CB -0.174 38.426 38.487 0.190 0.000 1.012 407 N HN 0.337 nan 8.380 nan 0.000 0.423 408 Q N 0.018 119.845 119.800 0.045 0.000 2.061 408 Q HA -0.133 4.200 4.340 -0.012 0.000 0.204 408 Q C 2.069 178.050 176.000 -0.031 0.000 0.984 408 Q CA 1.465 57.259 55.803 -0.015 0.000 0.846 408 Q CB -0.015 28.676 28.738 -0.078 0.000 0.902 408 Q HN 0.350 nan 8.270 nan 0.000 0.421 409 R N -0.666 119.793 120.500 -0.068 0.000 2.075 409 R HA -0.128 4.205 4.340 -0.012 0.000 0.232 409 R C 2.186 178.501 176.300 0.024 0.000 1.126 409 R CA 1.417 57.473 56.100 -0.074 0.000 0.963 409 R CB -0.426 29.777 30.300 -0.162 0.000 0.858 409 R HN 0.283 nan 8.270 nan 0.000 0.435 410 F N 1.482 121.394 119.950 -0.063 0.000 2.102 410 F HA -0.150 4.370 4.527 -0.013 0.000 0.298 410 F C 1.852 177.667 175.800 0.025 0.000 1.105 410 F CA 1.453 59.464 58.000 0.018 0.000 1.239 410 F CB -0.239 38.803 39.000 0.070 0.000 0.991 410 F HN -0.095 nan 8.300 nan 0.000 0.474 411 L N -0.067 121.165 121.223 0.014 0.000 2.141 411 L HA -0.235 4.097 4.340 -0.012 0.000 0.209 411 L C 2.008 178.811 176.870 -0.113 0.000 1.094 411 L CA 1.551 56.339 54.840 -0.088 0.000 0.763 411 L CB -0.878 41.193 42.059 0.020 0.000 0.908 411 L HN 0.262 nan 8.230 nan 0.000 0.437 412 N N -0.200 118.452 118.700 -0.080 0.000 2.166 412 N HA -0.169 4.564 4.740 -0.012 0.000 0.186 412 N C 1.892 177.346 175.510 -0.093 0.000 1.019 412 N CA 0.798 53.803 53.050 -0.076 0.000 0.856 412 N CB 0.002 38.451 38.487 -0.063 0.000 0.993 412 N HN 0.302 nan 8.380 nan 0.000 0.426 413 R N 0.520 120.944 120.500 -0.127 0.000 2.092 413 R HA -0.036 4.297 4.340 -0.012 0.000 0.231 413 R C 2.178 178.378 176.300 -0.167 0.000 1.119 413 R CA 0.807 56.827 56.100 -0.133 0.000 0.970 413 R CB -0.305 29.923 30.300 -0.120 0.000 0.864 413 R HN 0.088 nan 8.270 nan 0.000 0.440 414 V N 1.077 120.836 119.914 -0.257 0.000 2.295 414 V HA -0.238 3.875 4.120 -0.012 0.000 0.246 414 V C 2.472 178.565 176.094 -0.002 0.000 1.049 414 V CA 1.983 64.198 62.300 -0.142 0.000 1.024 414 V CB -0.755 30.905 31.823 -0.271 0.000 0.648 414 V HN 0.393 nan 8.190 nan 0.000 0.447 415 A N 0.038 122.827 122.820 -0.051 0.000 1.940 415 A HA -0.153 4.160 4.320 -0.012 0.000 0.219 415 A C 2.381 179.946 177.584 -0.033 0.000 1.176 415 A CA 2.238 54.261 52.037 -0.023 0.000 0.631 415 A CB -0.731 18.246 19.000 -0.039 0.000 0.814 415 A HN 0.591 nan 8.150 nan 0.000 0.446 416 A N -0.603 122.180 122.820 -0.063 0.000 1.968 416 A HA 0.296 4.609 4.320 -0.012 0.000 0.217 416 A C 2.395 179.897 177.584 -0.136 0.000 1.169 416 A CA 1.714 53.702 52.037 -0.081 0.000 0.638 416 A CB -0.708 18.247 19.000 -0.075 0.000 0.812 416 A HN 0.979 nan 8.150 nan 0.000 0.446 417 A N -1.622 121.084 122.820 -0.190 0.000 1.970 417 A HA 0.346 4.659 4.320 -0.012 0.000 0.216 417 A C 0.492 177.658 177.584 -0.696 0.000 1.170 417 A CA 0.586 52.349 52.037 -0.457 0.000 0.645 417 A CB -0.194 18.482 19.000 -0.541 0.000 0.816 417 A HN 0.426 nan 8.150 nan 0.000 0.447 418 F N 0.018 119.919 119.950 -0.081 0.000 2.584 418 F HA 0.336 4.855 4.527 -0.013 0.000 0.328 418 F C -2.782 172.981 175.800 -0.063 0.000 1.407 418 F CA -2.753 55.205 58.000 -0.071 0.000 1.145 418 F CB 0.884 39.834 39.000 -0.084 0.000 1.440 418 F HN -0.058 nan 8.300 nan 0.000 0.580 419 P HA 0.224 nan 4.420 nan 0.000 0.267 419 P C 1.001 178.320 177.300 0.031 0.000 1.205 419 P CA 0.853 63.964 63.100 0.018 0.000 0.765 419 P CB 1.000 32.691 31.700 -0.014 0.000 0.828 420 G N 2.463 111.274 108.800 0.019 0.000 2.205 420 G HA2 -0.241 3.712 3.960 -0.012 0.000 0.261 420 G HA3 -0.241 3.712 3.960 -0.012 0.000 0.261 420 G C 0.304 175.213 174.900 0.014 0.000 0.980 420 G CA 0.023 45.131 45.100 0.012 0.000 0.632 420 G HN 0.607 nan 8.290 nan 0.000 0.533 421 D N 1.441 121.858 120.400 0.028 0.000 2.551 421 D HA 0.380 5.012 4.640 -0.012 0.000 0.223 421 D C 2.079 178.368 176.300 -0.019 0.000 1.144 421 D CA 0.411 54.413 54.000 0.004 0.000 1.025 421 D CB 0.406 41.208 40.800 0.004 0.000 1.085 421 D HN 0.609 nan 8.370 nan 0.000 0.506 422 V N 0.690 120.595 119.914 -0.015 0.000 2.548 422 V HA -0.121 3.992 4.120 -0.012 0.000 0.249 422 V C 1.773 177.854 176.094 -0.022 0.000 1.055 422 V CA 1.414 63.704 62.300 -0.016 0.000 1.065 422 V CB -0.446 31.371 31.823 -0.010 0.000 0.681 422 V HN 0.201 nan 8.190 nan 0.000 0.462 423 D N 0.377 120.761 120.400 -0.027 0.000 2.178 423 D HA -0.161 4.471 4.640 -0.012 0.000 0.202 423 D C 2.332 178.603 176.300 -0.048 0.000 0.974 423 D CA 1.275 55.258 54.000 -0.028 0.000 0.841 423 D CB -0.190 40.595 40.800 -0.025 0.000 0.953 423 D HN 0.439 nan 8.370 nan 0.000 0.478 424 R N -0.139 120.308 120.500 -0.088 0.000 2.081 424 R HA -0.100 4.232 4.340 -0.012 0.000 0.235 424 R C 2.242 178.470 176.300 -0.120 0.000 1.131 424 R CA 0.913 56.922 56.100 -0.151 0.000 0.960 424 R CB -0.248 29.901 30.300 -0.251 0.000 0.856 424 R HN 0.255 nan 8.270 nan 0.000 0.436 425 L N 0.552 121.729 121.223 -0.076 0.000 2.012 425 L HA -0.222 4.110 4.340 -0.012 0.000 0.210 425 L C 2.682 179.553 176.870 0.002 0.000 1.073 425 L CA 1.966 56.780 54.840 -0.043 0.000 0.748 425 L CB -0.488 41.556 42.059 -0.026 0.000 0.891 425 L HN 0.306 nan 8.230 nan 0.000 0.431 426 R N -0.066 120.440 120.500 0.011 0.000 2.115 426 R HA -0.079 4.254 4.340 -0.012 0.000 0.226 426 R C 2.177 178.525 176.300 0.080 0.000 1.100 426 R CA 0.848 56.976 56.100 0.048 0.000 0.980 426 R CB -0.457 29.866 30.300 0.038 0.000 0.875 426 R HN 0.188 nan 8.270 nan 0.000 0.445 427 R N 0.195 120.724 120.500 0.049 0.000 2.115 427 R HA 0.107 4.440 4.340 -0.012 0.000 0.230 427 R C 1.941 178.322 176.300 0.135 0.000 1.111 427 R CA 1.704 57.858 56.100 0.090 0.000 0.976 427 R CB -0.142 30.172 30.300 0.023 0.000 0.870 427 R HN 0.332 nan 8.270 nan 0.000 0.445 428 M N -0.027 119.578 119.600 0.008 0.000 2.509 428 M HA 0.054 4.527 4.480 -0.012 0.000 0.250 428 M C 0.820 177.263 176.300 0.238 0.000 1.132 428 M CA -0.045 55.203 55.300 -0.087 0.000 1.080 428 M CB 0.545 32.934 32.600 -0.352 0.000 1.408 428 M HN -0.092 nan 8.290 nan 0.000 0.484 429 S N 1.146 117.000 115.700 0.255 0.000 2.558 429 S HA 0.053 4.516 4.470 -0.012 0.000 0.288 429 S C 1.172 176.019 174.600 0.411 0.000 1.318 429 S CA -0.247 58.130 58.200 0.296 0.000 1.056 429 S CB 0.572 63.891 63.200 0.199 0.000 0.853 429 S HN 0.375 nan 8.310 nan 0.000 0.505 430 L N 4.099 125.520 121.223 0.330 0.000 2.217 430 L HA 0.069 4.401 4.340 -0.012 0.000 0.211 430 L C 0.445 177.426 176.870 0.185 0.000 1.107 430 L CA 0.412 55.407 54.840 0.259 0.000 0.783 430 L CB -0.451 41.704 42.059 0.160 0.000 0.919 430 L HN 0.418 nan 8.230 nan 0.000 0.442 431 V N 0.936 120.969 119.914 0.198 0.000 2.383 431 V HA 0.133 4.246 4.120 -0.012 0.000 0.275 431 V C 0.109 176.290 176.094 0.145 0.000 1.036 431 V CA -0.516 61.889 62.300 0.175 0.000 0.889 431 V CB 1.247 33.204 31.823 0.222 0.000 0.985 431 V HN 0.183 nan 8.190 nan 0.000 0.459 432 E N 3.450 123.716 120.200 0.110 0.000 2.146 432 E HA 0.363 4.706 4.350 -0.012 0.000 0.282 432 E C -0.614 176.038 176.600 0.086 0.000 0.989 432 E CA -0.488 55.965 56.400 0.090 0.000 0.799 432 E CB 1.637 31.369 29.700 0.053 0.000 1.088 432 E HN 0.627 nan 8.360 nan 0.000 0.397 433 E N 1.023 121.270 120.200 0.078 0.000 2.349 433 E HA 0.580 4.923 4.350 -0.012 0.000 0.262 433 E C 0.161 176.797 176.600 0.060 0.000 1.088 433 E CA 0.329 56.769 56.400 0.068 0.000 0.899 433 E CB 1.415 31.148 29.700 0.055 0.000 1.044 433 E HN 0.635 nan 8.360 nan 0.000 0.420 434 G N -0.218 108.617 108.800 0.059 0.000 2.368 434 G HA2 0.315 4.268 3.960 -0.012 0.000 0.269 434 G HA3 0.315 4.268 3.960 -0.012 0.000 0.269 434 G C 0.274 175.208 174.900 0.057 0.000 1.291 434 G CA -0.013 45.119 45.100 0.054 0.000 0.903 434 G HN 0.556 nan 8.290 nan 0.000 0.483 435 A N -0.827 122.027 122.820 0.056 0.000 1.852 435 A HA 0.293 4.605 4.320 -0.012 0.000 0.217 435 A C 1.673 179.303 177.584 0.076 0.000 1.215 435 A CA 3.486 55.558 52.037 0.058 0.000 0.641 435 A CB -1.354 17.680 19.000 0.056 0.000 0.838 435 A HN 2.228 nan 8.150 nan 0.000 0.450 436 V N -2.623 117.349 119.914 0.097 0.000 2.427 436 V HA 0.482 4.594 4.120 -0.012 0.000 0.286 436 V C -0.253 175.916 176.094 0.125 0.000 1.034 436 V CA -1.363 61.019 62.300 0.137 0.000 0.893 436 V CB 1.211 33.150 31.823 0.193 0.000 0.982 436 V HN 0.335 nan 8.190 nan 0.000 0.452 437 K N 4.102 124.584 120.400 0.136 0.000 2.401 437 K HA 0.409 4.721 4.320 -0.012 0.000 0.278 437 K C -0.282 176.391 176.600 0.122 0.000 1.018 437 K CA 0.001 56.364 56.287 0.126 0.000 0.981 437 K CB 0.736 33.322 32.500 0.144 0.000 0.933 437 K HN 0.742 nan 8.250 nan 0.000 0.477 438 R N 1.785 122.343 120.500 0.098 0.000 2.795 438 R HA 0.460 4.793 4.340 -0.012 0.000 0.275 438 R C -0.553 175.787 176.300 0.066 0.000 0.981 438 R CA -1.012 55.134 56.100 0.076 0.000 0.917 438 R CB 1.323 31.646 30.300 0.039 0.000 1.202 438 R HN 0.366 nan 8.270 nan 0.000 0.469 439 I N 2.016 122.622 120.570 0.060 0.000 2.331 439 I HA 0.142 4.305 4.170 -0.012 0.000 0.292 439 I C -0.039 176.062 176.117 -0.026 0.000 0.998 439 I CA -0.666 60.657 61.300 0.037 0.000 1.267 439 I CB 1.000 39.023 38.000 0.038 0.000 1.386 439 I HN 0.509 nan 8.210 nan 0.000 0.476 440 N N 7.128 125.783 118.700 -0.074 0.000 2.415 440 N HA 0.102 4.835 4.740 -0.012 0.000 0.246 440 N C 0.770 176.177 175.510 -0.173 0.000 1.078 440 N CA -0.326 52.596 53.050 -0.214 0.000 0.942 440 N CB 0.998 39.217 38.487 -0.446 0.000 1.140 440 N HN 0.381 nan 8.380 nan 0.000 0.501 441 M N 2.409 121.909 119.600 -0.167 0.000 2.319 441 M HA -0.038 4.435 4.480 -0.012 0.000 0.265 441 M C 1.903 178.060 176.300 -0.239 0.000 1.068 441 M CA 0.639 55.862 55.300 -0.129 0.000 1.118 441 M CB -1.461 31.113 32.600 -0.043 0.000 1.395 441 M HN 0.605 nan 8.290 nan 0.000 0.435 442 A N -0.463 122.207 122.820 -0.251 0.000 1.930 442 A HA -0.167 4.145 4.320 -0.012 0.000 0.217 442 A C 1.965 179.309 177.584 -0.401 0.000 1.175 442 A CA 1.414 53.254 52.037 -0.328 0.000 0.627 442 A CB -1.096 17.910 19.000 0.008 0.000 0.815 442 A HN 0.591 nan 8.150 nan 0.000 0.443 443 H N -1.095 117.755 119.070 -0.365 0.000 2.389 443 H HA -0.006 4.542 4.556 -0.013 0.000 0.299 443 H C 2.114 177.216 175.328 -0.377 0.000 1.081 443 H CA 0.896 56.698 56.048 -0.410 0.000 1.345 443 H CB -0.042 29.699 29.762 -0.036 0.000 1.393 443 H HN 0.363 nan 8.280 nan 0.000 0.520 444 L N 0.422 121.558 121.223 -0.145 0.000 2.012 444 L HA -0.231 4.101 4.340 -0.012 0.000 0.210 444 L C 2.232 178.957 176.870 -0.241 0.000 1.073 444 L CA 1.308 56.060 54.840 -0.147 0.000 0.748 444 L CB -0.387 41.615 42.059 -0.095 0.000 0.891 444 L HN 0.452 nan 8.230 nan 0.000 0.431 445 C N -0.055 118.994 119.300 -0.418 0.000 2.429 445 C HA -0.163 4.289 4.460 -0.012 0.000 0.277 445 C C 2.653 177.355 174.990 -0.480 0.000 1.262 445 C CA 0.560 59.237 59.018 -0.568 0.000 1.733 445 C CB -0.740 26.263 27.740 -1.228 0.000 2.010 445 C HN 0.507 nan 8.230 nan 0.000 0.483 446 I N 1.411 121.653 120.570 -0.547 0.000 2.202 446 I HA -0.171 3.991 4.170 -0.012 0.000 0.242 446 I C 2.780 178.745 176.117 -0.254 0.000 1.091 446 I CA 1.555 62.593 61.300 -0.438 0.000 1.368 446 I CB -0.628 36.972 38.000 -0.667 0.000 1.058 446 I HN 0.245 nan 8.210 nan 0.000 0.410 447 A N 0.715 123.357 122.820 -0.297 0.000 1.917 447 A HA -0.168 4.145 4.320 -0.012 0.000 0.219 447 A C 2.230 179.871 177.584 0.095 0.000 1.182 447 A CA 2.107 54.019 52.037 -0.209 0.000 0.633 447 A CB -1.326 17.383 19.000 -0.486 0.000 0.819 447 A HN 0.493 nan 8.150 nan 0.000 0.448 448 G N -1.364 107.420 108.800 -0.026 0.000 3.284 448 G HA2 0.414 4.366 3.960 -0.012 0.000 0.236 448 G HA3 0.414 4.366 3.960 -0.012 0.000 0.236 448 G C 0.122 174.851 174.900 -0.285 0.000 1.158 448 G CA 0.544 45.504 45.100 -0.235 0.000 0.774 448 G HN 0.363 nan 8.290 nan 0.000 0.545 449 S N -0.306 115.284 115.700 -0.183 0.000 2.536 449 S HA 0.316 4.779 4.470 -0.012 0.000 0.298 449 S C 0.799 175.341 174.600 -0.097 0.000 1.083 449 S CA -0.705 57.411 58.200 -0.141 0.000 0.995 449 S CB 1.293 64.412 63.200 -0.136 0.000 1.058 449 S HN 0.503 nan 8.310 nan 0.000 0.488 450 H N 0.114 119.146 119.070 -0.064 0.000 2.535 450 H HA 0.438 4.987 4.556 -0.013 0.000 0.273 450 H C 0.184 175.499 175.328 -0.021 0.000 0.983 450 H CA 0.388 56.427 56.048 -0.015 0.000 1.238 450 H CB 0.140 29.909 29.762 0.011 0.000 1.412 450 H HN 0.507 nan 8.280 nan 0.000 0.562 451 A N 1.069 123.576 122.820 -0.523 0.000 2.455 451 A HA 0.561 4.874 4.320 -0.012 0.000 0.300 451 A C -1.356 176.026 177.584 -0.337 0.000 1.040 451 A CA -0.587 51.207 52.037 -0.404 0.000 0.697 451 A CB 2.283 21.017 19.000 -0.444 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.149 123.833 119.914 -0.382 0.000 2.531 452 V HA 0.531 4.644 4.120 -0.012 0.000 0.301 452 V C -0.740 175.172 176.094 -0.304 0.000 1.034 452 V CA -0.786 61.282 62.300 -0.385 0.000 0.865 452 V CB 1.786 33.224 31.823 -0.642 0.000 0.995 452 V HN 1.011 nan 8.190 nan 0.000 0.424 453 N N 3.133 121.670 118.700 -0.272 0.000 2.240 453 N HA 0.611 5.344 4.740 -0.012 0.000 0.302 453 N C -0.243 175.156 175.510 -0.184 0.000 1.106 453 N CA -0.371 52.559 53.050 -0.199 0.000 0.778 453 N CB 2.895 41.242 38.487 -0.233 0.000 1.431 453 N HN 0.635 nan 8.380 nan 0.000 0.479 454 G N -0.726 107.995 108.800 -0.131 0.000 2.537 454 G HA2 0.431 4.383 3.960 -0.012 0.000 0.297 454 G HA3 0.431 4.383 3.960 -0.012 0.000 0.297 454 G C 0.702 175.650 174.900 0.081 0.000 1.310 454 G CA -0.435 44.627 45.100 -0.063 0.000 1.027 454 G HN 0.653 nan 8.290 nan 0.000 0.505 455 V N -3.999 116.094 119.914 0.298 0.000 3.380 455 V HA 0.708 4.821 4.120 -0.012 0.000 0.307 455 V C 0.500 176.683 176.094 0.149 0.000 1.434 455 V CA 0.384 62.779 62.300 0.159 0.000 1.075 455 V CB -0.627 31.247 31.823 0.085 0.000 0.954 455 V HN 1.339 nan 8.190 nan 0.000 0.444 456 A N -0.033 122.883 122.820 0.160 0.000 2.605 456 A HA 0.679 4.991 4.320 -0.012 0.000 0.294 456 A C 0.592 178.225 177.584 0.083 0.000 1.062 456 A CA -0.137 51.970 52.037 0.116 0.000 0.682 456 A CB 1.301 20.360 19.000 0.098 0.000 1.278 456 A HN 0.048 nan 8.150 nan 0.000 0.410 457 R N 0.742 121.271 120.500 0.048 0.000 2.096 457 R HA -0.139 4.194 4.340 -0.012 0.000 0.240 457 R C 1.659 177.957 176.300 -0.004 0.000 1.139 457 R CA 2.261 58.366 56.100 0.008 0.000 0.952 457 R CB -0.219 30.081 30.300 0.000 0.000 0.854 457 R HN 0.801 nan 8.270 nan 0.000 0.436 458 I N 0.126 120.703 120.570 0.013 0.000 2.315 458 I HA -0.275 3.887 4.170 -0.012 0.000 0.248 458 I C 2.239 178.366 176.117 0.017 0.000 1.117 458 I CA 1.640 62.939 61.300 -0.001 0.000 1.404 458 I CB -0.193 37.805 38.000 -0.003 0.000 1.071 458 I HN 0.351 nan 8.210 nan 0.000 0.419 459 H N 0.466 119.507 119.070 -0.047 0.000 2.321 459 H HA -0.133 4.415 4.556 -0.013 0.000 0.300 459 H C 2.274 177.568 175.328 -0.056 0.000 1.087 459 H CA 2.254 58.269 56.048 -0.054 0.000 1.319 459 H CB -0.323 29.412 29.762 -0.045 0.000 1.379 459 H HN 0.226 nan 8.280 nan 0.000 0.501 460 S N 0.481 116.047 115.700 -0.223 0.000 2.382 460 S HA -0.133 4.329 4.470 -0.012 0.000 0.228 460 S C 1.914 176.390 174.600 -0.207 0.000 1.027 460 S CA 1.232 59.282 58.200 -0.250 0.000 0.991 460 S CB -0.089 63.038 63.200 -0.122 0.000 0.823 460 S HN 0.484 nan 8.310 nan 0.000 0.469 461 E N 1.234 121.338 120.200 -0.160 0.000 2.077 461 E HA -0.029 4.313 4.350 -0.012 0.000 0.193 461 E C 2.023 178.510 176.600 -0.187 0.000 0.989 461 E CA 0.713 57.011 56.400 -0.171 0.000 0.800 461 E CB -0.418 29.212 29.700 -0.116 0.000 0.746 461 E HN 0.514 nan 8.360 nan 0.000 0.452 462 I N 0.932 121.409 120.570 -0.156 0.000 2.286 462 I HA -0.271 3.891 4.170 -0.012 0.000 0.248 462 I C 2.373 178.371 176.117 -0.198 0.000 1.115 462 I CA 0.767 61.980 61.300 -0.145 0.000 1.392 462 I CB -0.218 37.733 38.000 -0.083 0.000 1.065 462 I HN 0.059 nan 8.210 nan 0.000 0.418 463 L N 0.312 121.385 121.223 -0.250 0.000 2.046 463 L HA -0.218 4.115 4.340 -0.012 0.000 0.208 463 L C 2.479 179.236 176.870 -0.187 0.000 1.077 463 L CA 1.525 56.235 54.840 -0.216 0.000 0.747 463 L CB -0.571 41.434 42.059 -0.090 0.000 0.896 463 L HN 0.185 nan 8.230 nan 0.000 0.432 464 K N -0.115 120.091 120.400 -0.324 0.000 2.217 464 K HA -0.119 4.194 4.320 -0.012 0.000 0.202 464 K C 2.022 178.397 176.600 -0.375 0.000 1.051 464 K CA 0.961 56.894 56.287 -0.590 0.000 0.952 464 K CB 0.082 31.993 32.500 -0.981 0.000 0.736 464 K HN 0.240 nan 8.250 nan 0.000 0.453 465 K N -0.243 120.008 120.400 -0.249 0.000 2.308 465 K HA -0.011 4.301 4.320 -0.012 0.000 0.197 465 K C 1.813 178.354 176.600 -0.098 0.000 1.049 465 K CA 1.213 57.410 56.287 -0.150 0.000 0.991 465 K CB 0.623 33.044 32.500 -0.131 0.000 0.836 465 K HN 0.240 nan 8.250 nan 0.000 0.500 466 T N -1.515 112.971 114.554 -0.113 0.000 3.463 466 T HA 0.051 4.394 4.350 -0.012 0.000 0.203 466 T C 1.894 176.541 174.700 -0.088 0.000 0.955 466 T CA 0.030 62.077 62.100 -0.089 0.000 1.230 466 T CB -0.715 68.097 68.868 -0.094 0.000 1.392 466 T HN 0.102 nan 8.240 nan 0.000 0.361 467 I N -1.048 119.407 120.570 -0.191 0.000 2.439 467 I HA 0.300 4.463 4.170 -0.012 0.000 0.251 467 I C 1.359 177.396 176.117 -0.133 0.000 1.139 467 I CA 1.145 62.291 61.300 -0.256 0.000 1.438 467 I CB -0.534 37.186 38.000 -0.467 0.000 1.085 467 I HN 0.242 nan 8.210 nan 0.000 0.427 468 F N 0.926 120.947 119.950 0.118 0.000 2.708 468 F HA 0.352 4.871 4.527 -0.013 0.000 0.300 468 F C 1.991 177.890 175.800 0.164 0.000 1.118 468 F CA -0.635 57.511 58.000 0.243 0.000 1.307 468 F CB 0.125 39.279 39.000 0.258 0.000 0.986 468 F HN -0.081 nan 8.300 nan 0.000 0.522 469 K N 1.085 121.595 120.400 0.183 0.000 2.059 469 K HA -0.231 4.082 4.320 -0.012 0.000 0.212 469 K C 1.344 177.999 176.600 0.091 0.000 1.050 469 K CA 2.272 58.608 56.287 0.083 0.000 0.927 469 K CB -0.034 32.479 32.500 0.022 0.000 0.714 469 K HN 0.154 nan 8.250 nan 0.000 0.447 470 D N -0.206 120.226 120.400 0.054 0.000 2.149 470 D HA -0.158 4.474 4.640 -0.012 0.000 0.198 470 D C 1.803 178.009 176.300 -0.157 0.000 0.990 470 D CA 1.233 55.132 54.000 -0.168 0.000 0.839 470 D CB -0.263 40.341 40.800 -0.326 0.000 0.948 470 D HN 0.256 nan 8.370 nan 0.000 0.460 471 F N -0.206 119.820 119.950 0.126 0.000 2.163 471 F HA -0.131 4.388 4.527 -0.013 0.000 0.297 471 F C 2.342 178.295 175.800 0.255 0.000 1.094 471 F CA 0.480 58.639 58.000 0.265 0.000 1.290 471 F CB -0.705 38.532 39.000 0.395 0.000 1.017 471 F HN -0.045 nan 8.300 nan 0.000 0.483 472 Y N 1.433 121.701 120.300 -0.054 0.000 2.165 472 Y HA -0.226 4.316 4.550 -0.012 0.000 0.286 472 Y C 2.134 178.013 175.900 -0.034 0.000 1.155 472 Y CA 1.728 59.593 58.100 -0.391 0.000 1.164 472 Y CB -0.610 37.436 38.460 -0.689 0.000 0.978 472 Y HN 0.147 nan 8.280 nan 0.000 0.513 473 E N -0.442 119.704 120.200 -0.089 0.000 2.106 473 E HA -0.191 4.152 4.350 -0.012 0.000 0.192 473 E C 2.037 178.701 176.600 0.107 0.000 0.984 473 E CA 1.158 57.520 56.400 -0.062 0.000 0.806 473 E CB -0.283 29.420 29.700 0.005 0.000 0.750 473 E HN 0.431 nan 8.360 nan 0.000 0.458 474 L N 1.063 122.389 121.223 0.172 0.000 2.044 474 L HA -0.088 4.244 4.340 -0.012 0.000 0.205 474 L C 0.280 177.243 176.870 0.155 0.000 1.075 474 L CA 1.711 56.694 54.840 0.238 0.000 0.747 474 L CB 0.311 42.498 42.059 0.213 0.000 0.903 474 L HN -0.077 nan 8.230 nan 0.000 0.435 475 E N -0.372 119.915 120.200 0.145 0.000 3.132 475 E HA 0.182 4.524 4.350 -0.012 0.000 0.241 475 E C -2.020 174.528 176.600 -0.086 0.000 1.196 475 E CA -1.262 55.140 56.400 0.003 0.000 0.869 475 E CB 0.804 30.499 29.700 -0.007 0.000 1.387 475 E HN 0.200 nan 8.360 nan 0.000 0.393 476 P HA -0.231 nan 4.420 nan 0.000 0.218 476 P C 1.234 178.627 177.300 0.155 0.000 1.149 476 P CA 1.302 64.309 63.100 -0.156 0.000 0.817 476 P CB -0.063 31.400 31.700 -0.395 0.000 0.785 477 H N 0.321 119.492 119.070 0.169 0.000 2.489 477 H HA 0.025 4.573 4.556 -0.013 0.000 0.293 477 H C 1.448 176.870 175.328 0.156 0.000 1.066 477 H CA 0.896 57.034 56.048 0.151 0.000 1.305 477 H CB -0.736 29.085 29.762 0.100 0.000 1.386 477 H HN 0.158 nan 8.280 nan 0.000 0.551 478 K N 0.250 120.539 120.400 -0.185 0.000 2.217 478 K HA 0.028 4.341 4.320 -0.012 0.000 0.202 478 K C -0.148 176.312 176.600 -0.233 0.000 1.051 478 K CA 0.300 56.463 56.287 -0.207 0.000 0.952 478 K CB 0.090 32.344 32.500 -0.410 0.000 0.736 478 K HN 0.113 nan 8.250 nan 0.000 0.453 479 F N 1.692 121.669 119.950 0.045 0.000 2.411 479 F HA 0.190 4.710 4.527 -0.013 0.000 0.355 479 F C 0.451 176.256 175.800 0.007 0.000 1.117 479 F CA -0.303 57.727 58.000 0.050 0.000 1.139 479 F CB 1.012 40.101 39.000 0.149 0.000 1.120 479 F HN -0.119 nan 8.300 nan 0.000 0.493 480 Q N 1.849 121.680 119.800 0.052 0.000 2.528 480 Q HA 0.351 4.684 4.340 -0.012 0.000 0.289 480 Q C -1.119 174.842 176.000 -0.066 0.000 1.091 480 Q CA -1.246 54.540 55.803 -0.028 0.000 0.797 480 Q CB 3.104 31.771 28.738 -0.118 0.000 1.466 480 Q HN 0.613 nan 8.270 nan 0.000 0.436 481 N N 0.753 119.398 118.700 -0.093 0.000 2.314 481 N HA 0.261 4.994 4.740 -0.012 0.000 0.304 481 N C -1.398 174.011 175.510 -0.167 0.000 1.073 481 N CA -0.388 52.600 53.050 -0.102 0.000 0.822 481 N CB 0.957 39.406 38.487 -0.063 0.000 1.280 481 N HN 0.262 nan 8.380 nan 0.000 0.489 482 K N 2.705 123.006 120.400 -0.165 0.000 2.675 482 K HA 0.189 4.502 4.320 -0.012 0.000 0.224 482 K C -0.944 175.661 176.600 0.007 0.000 1.003 482 K CA -0.489 55.675 56.287 -0.205 0.000 1.034 482 K CB 1.223 33.368 32.500 -0.591 0.000 1.218 482 K HN 0.538 nan 8.250 nan 0.000 0.507 483 T N 2.109 116.686 114.554 0.039 0.000 2.902 483 T HA 0.057 4.400 4.350 -0.012 0.000 0.301 483 T C 0.772 175.604 174.700 0.219 0.000 1.012 483 T CA 0.319 62.496 62.100 0.129 0.000 1.151 483 T CB 0.258 69.203 68.868 0.129 0.000 0.946 483 T HN 0.361 nan 8.240 nan 0.000 0.542 484 N N 0.650 119.504 118.700 0.258 0.000 2.307 484 N HA 0.384 5.116 4.740 -0.012 0.000 0.230 484 N C 0.463 176.172 175.510 0.332 0.000 1.297 484 N CA -0.118 53.121 53.050 0.314 0.000 0.884 484 N CB 0.385 38.994 38.487 0.204 0.000 1.115 484 N HN 0.759 nan 8.380 nan 0.000 0.436 485 G N -0.544 108.465 108.800 0.348 0.000 2.682 485 G HA2 0.610 4.562 3.960 -0.012 0.000 0.290 485 G HA3 0.610 4.562 3.960 -0.012 0.000 0.290 485 G C -1.331 173.717 174.900 0.247 0.000 1.425 485 G CA -0.740 44.547 45.100 0.311 0.000 0.807 485 G HN 0.597 nan 8.290 nan 0.000 0.482 486 I N -2.340 118.357 120.570 0.212 0.000 2.892 486 I HA 0.753 4.915 4.170 -0.012 0.000 0.306 486 I C -0.201 176.079 176.117 0.271 0.000 1.078 486 I CA -0.947 60.473 61.300 0.200 0.000 1.032 486 I CB 2.452 40.470 38.000 0.029 0.000 1.229 486 I HN 0.485 nan 8.210 nan 0.000 0.435 487 T N 4.103 118.867 114.554 0.349 0.000 2.814 487 T HA 0.348 4.691 4.350 -0.012 0.000 0.297 487 T C -1.458 173.360 174.700 0.198 0.000 0.956 487 T CA -1.574 60.656 62.100 0.216 0.000 1.123 487 T CB 0.708 69.648 68.868 0.120 0.000 0.902 487 T HN 0.628 nan 8.240 nan 0.000 0.528 488 P HA 0.072 nan 4.420 nan 0.000 0.242 488 P C 1.015 178.281 177.300 -0.057 0.000 1.197 488 P CA 0.240 63.379 63.100 0.064 0.000 0.765 488 P CB 0.355 32.079 31.700 0.040 0.000 0.936 489 R N 0.479 120.901 120.500 -0.129 0.000 2.060 489 R HA 0.027 4.359 4.340 -0.012 0.000 0.225 489 R C 2.665 178.843 176.300 -0.202 0.000 1.155 489 R CA 1.480 57.462 56.100 -0.197 0.000 0.930 489 R CB -1.250 28.938 30.300 -0.186 0.000 0.829 489 R HN 0.020 nan 8.270 nan 0.000 0.433 490 R N -0.728 119.589 120.500 -0.304 0.000 2.091 490 R HA -0.145 4.188 4.340 -0.012 0.000 0.238 490 R C 1.079 177.025 176.300 -0.589 0.000 1.136 490 R CA 1.838 57.591 56.100 -0.578 0.000 0.959 490 R CB -0.194 29.534 30.300 -0.953 0.000 0.856 490 R HN 0.316 nan 8.270 nan 0.000 0.437 491 W N -0.584 120.673 121.300 -0.071 0.000 3.353 491 W HA 0.171 4.823 4.660 -0.013 0.000 0.304 491 W C 0.956 177.445 176.519 -0.050 0.000 1.273 491 W CA -0.731 56.571 57.345 -0.072 0.000 1.773 491 W CB 0.467 29.887 29.460 -0.065 0.000 1.095 491 W HN 0.225 nan 8.180 nan 0.000 0.676 492 L N -2.296 118.984 121.223 0.094 0.000 2.511 492 L HA 0.187 4.519 4.340 -0.012 0.000 0.173 492 L C 1.756 178.642 176.870 0.026 0.000 1.160 492 L CA 0.769 55.658 54.840 0.082 0.000 0.964 492 L CB -0.824 41.310 42.059 0.126 0.000 1.892 492 L HN -0.248 nan 8.230 nan 0.000 0.497 493 V N 1.043 120.947 119.914 -0.016 0.000 2.287 493 V HA -0.273 3.839 4.120 -0.012 0.000 0.248 493 V C 2.437 178.504 176.094 -0.045 0.000 1.053 493 V CA 2.489 64.770 62.300 -0.030 0.000 1.027 493 V CB -0.671 31.104 31.823 -0.079 0.000 0.646 493 V HN 0.506 nan 8.190 nan 0.000 0.447 494 L N 0.466 121.632 121.223 -0.096 0.000 2.005 494 L HA -0.188 4.144 4.340 -0.012 0.000 0.207 494 L C 2.522 179.330 176.870 -0.104 0.000 1.072 494 L CA 2.441 57.209 54.840 -0.120 0.000 0.744 494 L CB -0.290 41.645 42.059 -0.206 0.000 0.895 494 L HN 0.654 nan 8.230 nan 0.000 0.433 495 C N -1.803 117.430 119.300 -0.112 0.000 2.533 495 C HA 0.186 4.639 4.460 -0.012 0.000 0.272 495 C C 1.235 176.210 174.990 -0.024 0.000 1.371 495 C CA -0.223 58.749 59.018 -0.078 0.000 1.758 495 C CB -1.010 26.687 27.740 -0.071 0.000 1.972 495 C HN 0.602 nan 8.230 nan 0.000 0.522 496 N N 1.219 119.917 118.700 -0.005 0.000 2.733 496 N HA 0.292 5.025 4.740 -0.012 0.000 0.271 496 N C -1.764 173.759 175.510 0.023 0.000 1.720 496 N CA -1.657 51.402 53.050 0.015 0.000 0.803 496 N CB 0.767 39.272 38.487 0.031 0.000 1.208 496 N HN 0.258 nan 8.380 nan 0.000 0.498 497 P HA -0.023 nan 4.420 nan 0.000 0.218 497 P C 1.412 178.730 177.300 0.031 0.000 1.149 497 P CA 0.830 63.943 63.100 0.021 0.000 0.817 497 P CB 0.248 31.953 31.700 0.008 0.000 0.785 498 G N 0.819 109.632 108.800 0.022 0.000 2.446 498 G HA2 -0.262 3.690 3.960 -0.012 0.000 0.217 498 G HA3 -0.262 3.690 3.960 -0.012 0.000 0.217 498 G C 1.530 176.444 174.900 0.023 0.000 1.168 498 G CA 0.752 45.863 45.100 0.018 0.000 0.771 498 G HN 0.241 nan 8.290 nan 0.000 0.551 499 L N 1.333 122.571 121.223 0.026 0.000 2.056 499 L HA 0.209 4.541 4.340 -0.012 0.000 0.207 499 L C 3.112 180.021 176.870 0.065 0.000 1.078 499 L CA 2.058 56.916 54.840 0.029 0.000 0.749 499 L CB -0.817 41.258 42.059 0.027 0.000 0.901 499 L HN 0.245 nan 8.230 nan 0.000 0.433 500 A N -0.830 122.049 122.820 0.097 0.000 1.940 500 A HA -0.273 4.040 4.320 -0.012 0.000 0.219 500 A C 2.256 179.946 177.584 0.176 0.000 1.176 500 A CA 1.919 54.067 52.037 0.185 0.000 0.631 500 A CB -0.674 18.421 19.000 0.157 0.000 0.814 500 A HN 0.546 nan 8.150 nan 0.000 0.446 501 E N 0.558 120.820 120.200 0.103 0.000 2.046 501 E HA -0.141 4.202 4.350 -0.012 0.000 0.190 501 E C 1.856 178.500 176.600 0.074 0.000 0.982 501 E CA 1.490 57.940 56.400 0.083 0.000 0.800 501 E CB -0.501 29.229 29.700 0.050 0.000 0.756 501 E HN 0.739 nan 8.360 nan 0.000 0.449 502 I N -1.699 118.911 120.570 0.067 0.000 2.493 502 I HA -0.132 4.030 4.170 -0.012 0.000 0.254 502 I C 2.072 178.263 176.117 0.123 0.000 1.160 502 I CA 1.078 62.432 61.300 0.090 0.000 1.445 502 I CB -0.323 37.721 38.000 0.073 0.000 1.086 502 I HN 0.021 nan 8.210 nan 0.000 0.433 503 I N 1.986 122.604 120.570 0.079 0.000 2.233 503 I HA -0.171 3.992 4.170 -0.012 0.000 0.243 503 I C 3.007 179.069 176.117 -0.092 0.000 1.093 503 I CA 1.329 62.588 61.300 -0.068 0.000 1.380 503 I CB -0.484 37.355 38.000 -0.268 0.000 1.067 503 I HN 0.286 nan 8.210 nan 0.000 0.413 504 A N 0.335 123.206 122.820 0.084 0.000 1.972 504 A HA -0.226 4.086 4.320 -0.012 0.000 0.219 504 A C 2.164 179.780 177.584 0.054 0.000 1.169 504 A CA 1.600 53.738 52.037 0.169 0.000 0.635 504 A CB -0.598 18.535 19.000 0.221 0.000 0.810 504 A HN 0.443 nan 8.150 nan 0.000 0.446 505 E N -0.756 119.455 120.200 0.019 0.000 2.118 505 E HA -0.214 4.129 4.350 -0.012 0.000 0.195 505 E C 2.269 178.835 176.600 -0.057 0.000 0.992 505 E CA 1.398 57.795 56.400 -0.006 0.000 0.804 505 E CB -0.079 29.623 29.700 0.003 0.000 0.741 505 E HN 0.593 nan 8.360 nan 0.000 0.458 506 R N -0.130 120.277 120.500 -0.155 0.000 2.105 506 R HA 0.124 4.457 4.340 -0.012 0.000 0.214 506 R C 2.164 178.375 176.300 -0.148 0.000 1.091 506 R CA 0.847 56.786 56.100 -0.268 0.000 1.007 506 R CB 0.190 30.028 30.300 -0.770 0.000 0.912 506 R HN 0.232 nan 8.270 nan 0.000 0.450 507 I N -3.213 117.284 120.570 -0.122 0.000 4.081 507 I HA 0.479 4.641 4.170 -0.012 0.000 0.333 507 I C 0.420 176.573 176.117 0.061 0.000 1.413 507 I CA -0.147 61.136 61.300 -0.028 0.000 1.110 507 I CB 0.875 38.837 38.000 -0.065 0.000 1.082 507 I HN 0.166 nan 8.210 nan 0.000 0.402 508 G N 2.009 110.856 108.800 0.077 0.000 2.725 508 G HA2 -0.234 3.718 3.960 -0.012 0.000 0.220 508 G HA3 -0.234 3.718 3.960 -0.012 0.000 0.220 508 G C 0.010 175.036 174.900 0.211 0.000 1.357 508 G CA 0.258 45.426 45.100 0.112 0.000 0.866 508 G HN 0.451 nan 8.290 nan 0.000 0.548 509 E N -0.346 119.929 120.200 0.125 0.000 2.452 509 E HA 0.071 4.413 4.350 -0.012 0.000 0.197 509 E C 1.974 178.520 176.600 -0.091 0.000 1.022 509 E CA 0.053 56.470 56.400 0.029 0.000 0.890 509 E CB 0.171 29.881 29.700 0.018 0.000 0.918 509 E HN 0.495 nan 8.360 nan 0.000 0.496 510 E N 0.465 120.682 120.200 0.028 0.000 2.265 510 E HA -0.190 4.152 4.350 -0.012 0.000 0.196 510 E C 1.751 178.339 176.600 -0.019 0.000 0.996 510 E CA 0.886 57.295 56.400 0.015 0.000 0.832 510 E CB -0.056 29.678 29.700 0.057 0.000 0.756 510 E HN 0.526 nan 8.360 nan 0.000 0.491 511 Y N -0.893 119.410 120.300 0.005 0.000 2.403 511 Y HA -0.056 4.488 4.550 -0.011 0.000 0.291 511 Y C 1.960 177.836 175.900 -0.041 0.000 1.143 511 Y CA 0.547 58.642 58.100 -0.009 0.000 1.257 511 Y CB -0.768 37.689 38.460 -0.005 0.000 0.984 511 Y HN -0.093 nan 8.280 nan 0.000 0.550 512 I N 0.960 121.048 120.570 -0.803 0.000 2.335 512 I HA -0.247 3.916 4.170 -0.012 0.000 0.251 512 I C 1.747 177.600 176.117 -0.440 0.000 1.129 512 I CA 1.875 62.745 61.300 -0.717 0.000 1.402 512 I CB -0.374 37.111 38.000 -0.858 0.000 1.069 512 I HN 0.480 nan 8.210 nan 0.000 0.424 513 S N -2.099 113.450 115.700 -0.251 0.000 2.663 513 S HA 0.181 4.644 4.470 -0.012 0.000 0.243 513 S C 0.134 174.716 174.600 -0.030 0.000 1.009 513 S CA -0.491 57.643 58.200 -0.110 0.000 0.988 513 S CB 0.301 63.507 63.200 0.009 0.000 0.896 513 S HN 0.270 nan 8.310 nan 0.000 0.502 514 D N 0.738 121.130 120.400 -0.015 0.000 2.823 514 D HA 0.247 4.879 4.640 -0.012 0.000 0.255 514 D C 0.346 176.686 176.300 0.068 0.000 1.257 514 D CA -0.374 53.642 54.000 0.027 0.000 0.803 514 D CB 0.479 41.300 40.800 0.035 0.000 1.384 514 D HN 0.117 nan 8.370 nan 0.000 0.541 515 L N 1.183 122.446 121.223 0.066 0.000 2.265 515 L HA 0.001 4.333 4.340 -0.012 0.000 0.215 515 L C 1.410 178.333 176.870 0.088 0.000 1.117 515 L CA 1.535 56.445 54.840 0.115 0.000 0.782 515 L CB -0.057 42.063 42.059 0.102 0.000 0.914 515 L HN 0.237 nan 8.230 nan 0.000 0.441 516 D N -0.686 119.741 120.400 0.046 0.000 2.221 516 D HA -0.222 4.411 4.640 -0.012 0.000 0.204 516 D C 1.957 178.278 176.300 0.034 0.000 0.982 516 D CA 0.837 54.851 54.000 0.022 0.000 0.857 516 D CB 0.020 40.820 40.800 -0.000 0.000 0.934 516 D HN 0.541 nan 8.370 nan 0.000 0.475 517 Q N -0.049 119.788 119.800 0.062 0.000 2.368 517 Q HA -0.077 4.256 4.340 -0.012 0.000 0.210 517 Q C 2.274 178.294 176.000 0.033 0.000 0.982 517 Q CA 0.302 56.144 55.803 0.064 0.000 0.884 517 Q CB -0.023 28.782 28.738 0.112 0.000 0.933 517 Q HN 0.400 nan 8.270 nan 0.000 0.460 518 L N 0.060 121.297 121.223 0.023 0.000 2.261 518 L HA -0.198 4.134 4.340 -0.012 0.000 0.216 518 L C 2.462 179.325 176.870 -0.012 0.000 1.114 518 L CA 0.833 55.650 54.840 -0.039 0.000 0.777 518 L CB -0.364 41.684 42.059 -0.019 0.000 0.910 518 L HN 0.213 nan 8.230 nan 0.000 0.440 519 R N 0.771 121.276 120.500 0.009 0.000 2.139 519 R HA -0.204 4.129 4.340 -0.012 0.000 0.243 519 R C 2.134 178.441 176.300 0.012 0.000 1.145 519 R CA 1.359 57.466 56.100 0.012 0.000 0.976 519 R CB -0.016 30.288 30.300 0.007 0.000 0.866 519 R HN 0.292 nan 8.270 nan 0.000 0.449 520 K N 0.190 120.596 120.400 0.010 0.000 2.281 520 K HA -0.144 4.168 4.320 -0.012 0.000 0.203 520 K C 1.759 178.401 176.600 0.070 0.000 1.046 520 K CA 0.983 57.286 56.287 0.026 0.000 0.938 520 K CB -0.075 32.445 32.500 0.032 0.000 0.737 520 K HN 0.299 nan 8.250 nan 0.000 0.458 521 L N 0.443 121.687 121.223 0.035 0.000 2.362 521 L HA -0.145 4.188 4.340 -0.012 0.000 0.219 521 L C 1.867 178.805 176.870 0.113 0.000 1.134 521 L CA 0.073 54.945 54.840 0.053 0.000 0.807 521 L CB -0.278 41.772 42.059 -0.016 0.000 0.927 521 L HN 0.123 nan 8.230 nan 0.000 0.447 522 L N 0.160 121.420 121.223 0.062 0.000 2.127 522 L HA -0.193 4.140 4.340 -0.012 0.000 0.211 522 L C 2.696 179.566 176.870 -0.000 0.000 1.089 522 L CA 1.988 56.852 54.840 0.040 0.000 0.757 522 L CB -1.009 41.059 42.059 0.015 0.000 0.899 522 L HN 0.371 nan 8.230 nan 0.000 0.434 523 S N -2.707 112.953 115.700 -0.067 0.000 2.660 523 S HA -0.076 4.387 4.470 -0.012 0.000 0.223 523 S C 1.184 175.543 174.600 -0.402 0.000 0.963 523 S CA 0.236 58.301 58.200 -0.225 0.000 0.932 523 S CB -0.551 62.475 63.200 -0.291 0.000 0.775 523 S HN 0.461 nan 8.310 nan 0.000 0.531 524 Y N -0.030 120.218 120.300 -0.087 0.000 2.557 524 Y HA 0.399 4.947 4.550 -0.003 0.000 0.247 524 Y C 1.776 177.726 175.900 0.084 0.000 1.164 524 Y CA -0.574 57.478 58.100 -0.081 0.000 1.218 524 Y CB 0.335 38.565 38.460 -0.384 0.000 1.210 524 Y HN 0.138 nan 8.280 nan 0.000 0.529 525 V N -0.118 119.899 119.914 0.171 0.000 2.720 525 V HA -0.224 3.889 4.120 -0.012 0.000 0.256 525 V C 1.017 177.184 176.094 0.122 0.000 1.082 525 V CA 1.902 64.297 62.300 0.160 0.000 1.101 525 V CB -0.176 31.701 31.823 0.090 0.000 0.693 525 V HN 0.378 nan 8.190 nan 0.000 0.479 526 D N -0.888 119.564 120.400 0.087 0.000 2.363 526 D HA 0.069 4.701 4.640 -0.012 0.000 0.214 526 D C 0.588 176.938 176.300 0.084 0.000 1.093 526 D CA 0.089 54.127 54.000 0.064 0.000 0.837 526 D CB 0.190 41.005 40.800 0.024 0.000 0.948 526 D HN 0.386 nan 8.370 nan 0.000 0.507 527 D N 1.431 121.919 120.400 0.147 0.000 2.336 527 D HA -0.018 4.615 4.640 -0.012 0.000 0.249 527 D C 1.063 177.473 176.300 0.183 0.000 1.213 527 D CA -0.016 54.093 54.000 0.182 0.000 0.870 527 D CB 1.638 42.628 40.800 0.316 0.000 1.076 527 D HN -0.182 nan 8.370 nan 0.000 0.483 528 E N 3.154 123.425 120.200 0.118 0.000 2.110 528 E HA -0.132 4.210 4.350 -0.012 0.000 0.193 528 E C 1.796 178.450 176.600 0.090 0.000 0.988 528 E CA 1.343 57.795 56.400 0.086 0.000 0.804 528 E CB 0.004 29.737 29.700 0.056 0.000 0.745 528 E HN 0.603 nan 8.360 nan 0.000 0.458 529 A N -0.162 122.726 122.820 0.115 0.000 1.877 529 A HA -0.168 4.145 4.320 -0.012 0.000 0.216 529 A C 2.220 179.888 177.584 0.140 0.000 1.186 529 A CA 1.427 53.529 52.037 0.109 0.000 0.620 529 A CB -0.998 18.071 19.000 0.114 0.000 0.822 529 A HN 0.448 nan 8.150 nan 0.000 0.443 530 F N 0.399 120.366 119.950 0.030 0.000 2.102 530 F HA -0.160 4.360 4.527 -0.012 0.000 0.298 530 F C 2.066 177.872 175.800 0.010 0.000 1.105 530 F CA 1.698 59.700 58.000 0.002 0.000 1.239 530 F CB -0.148 38.859 39.000 0.012 0.000 0.991 530 F HN 0.171 nan 8.300 nan 0.000 0.474 531 I N 0.380 120.960 120.570 0.016 0.000 2.145 531 I HA -0.395 3.767 4.170 -0.012 0.000 0.244 531 I C 2.613 178.668 176.117 -0.103 0.000 1.075 531 I CA 1.927 63.186 61.300 -0.068 0.000 1.332 531 I CB -0.583 37.431 38.000 0.025 0.000 1.033 531 I HN 0.136 nan 8.210 nan 0.000 0.410 532 R N 0.879 121.348 120.500 -0.052 0.000 2.081 532 R HA -0.200 4.133 4.340 -0.012 0.000 0.235 532 R C 1.847 178.096 176.300 -0.085 0.000 1.131 532 R CA 2.057 58.127 56.100 -0.050 0.000 0.960 532 R CB -0.184 30.107 30.300 -0.016 0.000 0.856 532 R HN 0.290 nan 8.270 nan 0.000 0.436 533 D N -0.130 120.201 120.400 -0.115 0.000 2.117 533 D HA -0.110 4.523 4.640 -0.012 0.000 0.198 533 D C 1.978 178.153 176.300 -0.209 0.000 0.982 533 D CA 1.207 55.127 54.000 -0.133 0.000 0.828 533 D CB -0.170 40.572 40.800 -0.096 0.000 0.967 533 D HN 0.091 nan 8.370 nan 0.000 0.464 534 V N 1.426 121.116 119.914 -0.374 0.000 2.287 534 V HA -0.251 3.861 4.120 -0.012 0.000 0.248 534 V C 2.502 178.501 176.094 -0.158 0.000 1.053 534 V CA 1.929 64.023 62.300 -0.343 0.000 1.027 534 V CB -0.808 30.726 31.823 -0.482 0.000 0.646 534 V HN 0.195 nan 8.190 nan 0.000 0.447 535 A N -0.574 122.173 122.820 -0.122 0.000 1.930 535 A HA -0.228 4.084 4.320 -0.012 0.000 0.217 535 A C 2.357 179.904 177.584 -0.061 0.000 1.175 535 A CA 1.992 53.992 52.037 -0.062 0.000 0.627 535 A CB -0.437 18.530 19.000 -0.055 0.000 0.815 535 A HN 0.525 nan 8.150 nan 0.000 0.443 536 K N -0.187 120.172 120.400 -0.067 0.000 2.057 536 K HA -0.069 4.243 4.320 -0.012 0.000 0.206 536 K C 1.819 178.394 176.600 -0.041 0.000 1.050 536 K CA 1.488 57.745 56.287 -0.050 0.000 0.935 536 K CB -0.242 32.231 32.500 -0.045 0.000 0.715 536 K HN 0.221 nan 8.250 nan 0.000 0.439 537 V N 1.817 121.702 119.914 -0.049 0.000 2.343 537 V HA -0.251 3.862 4.120 -0.012 0.000 0.247 537 V C 2.393 178.474 176.094 -0.020 0.000 1.051 537 V CA 1.994 64.275 62.300 -0.032 0.000 1.036 537 V CB -0.464 31.335 31.823 -0.039 0.000 0.654 537 V HN 0.351 nan 8.190 nan 0.000 0.451 538 K N 0.400 120.786 120.400 -0.024 0.000 2.032 538 K HA -0.237 4.076 4.320 -0.012 0.000 0.209 538 K C 2.187 178.762 176.600 -0.042 0.000 1.048 538 K CA 1.872 58.150 56.287 -0.015 0.000 0.927 538 K CB -0.575 31.931 32.500 0.010 0.000 0.712 538 K HN 0.366 nan 8.250 nan 0.000 0.441 539 Q N 0.995 120.764 119.800 -0.052 0.000 2.096 539 Q HA -0.148 4.185 4.340 -0.012 0.000 0.204 539 Q C 1.758 177.738 176.000 -0.033 0.000 0.982 539 Q CA 2.131 57.895 55.803 -0.065 0.000 0.850 539 Q CB -0.143 28.560 28.738 -0.058 0.000 0.901 539 Q HN 0.513 nan 8.270 nan 0.000 0.422 540 E N -0.540 119.653 120.200 -0.012 0.000 2.085 540 E HA -0.184 4.159 4.350 -0.012 0.000 0.194 540 E C 1.780 178.404 176.600 0.040 0.000 0.994 540 E CA 1.071 57.479 56.400 0.013 0.000 0.801 540 E CB -0.115 29.591 29.700 0.010 0.000 0.743 540 E HN 0.406 nan 8.360 nan 0.000 0.453 541 N N 0.936 119.657 118.700 0.033 0.000 2.120 541 N HA -0.136 4.597 4.740 -0.012 0.000 0.188 541 N C 1.527 177.113 175.510 0.127 0.000 1.024 541 N CA 1.074 54.164 53.050 0.068 0.000 0.852 541 N CB -0.101 38.411 38.487 0.041 0.000 1.003 541 N HN 0.137 nan 8.380 nan 0.000 0.424 542 K N 0.544 120.976 120.400 0.054 0.000 2.097 542 K HA 0.023 4.335 4.320 -0.012 0.000 0.205 542 K C 2.115 178.838 176.600 0.205 0.000 1.050 542 K CA 0.619 56.942 56.287 0.061 0.000 0.938 542 K CB -0.127 32.129 32.500 -0.407 0.000 0.718 542 K HN 0.106 nan 8.250 nan 0.000 0.442 543 L N 1.180 122.471 121.223 0.114 0.000 2.017 543 L HA -0.193 4.140 4.340 -0.012 0.000 0.208 543 L C 2.618 179.590 176.870 0.170 0.000 1.073 543 L CA 1.310 56.227 54.840 0.129 0.000 0.745 543 L CB -0.356 41.746 42.059 0.072 0.000 0.894 543 L HN 0.159 nan 8.230 nan 0.000 0.432 544 K N -0.265 120.236 120.400 0.169 0.000 2.063 544 K HA -0.256 4.056 4.320 -0.012 0.000 0.208 544 K C 2.178 178.941 176.600 0.272 0.000 1.048 544 K CA 1.807 58.205 56.287 0.184 0.000 0.928 544 K CB -0.172 32.420 32.500 0.153 0.000 0.713 544 K HN 0.098 nan 8.250 nan 0.000 0.442 545 F N 0.912 120.974 119.950 0.186 0.000 2.206 545 F HA 0.002 4.522 4.527 -0.012 0.000 0.298 545 F C 2.004 177.974 175.800 0.282 0.000 1.090 545 F CA 1.053 59.198 58.000 0.241 0.000 1.323 545 F CB -0.334 38.813 39.000 0.245 0.000 1.028 545 F HN 0.066 nan 8.300 nan 0.000 0.492 546 A N 0.174 123.177 122.820 0.306 0.000 1.940 546 A HA -0.088 4.224 4.320 -0.012 0.000 0.219 546 A C 2.360 179.989 177.584 0.074 0.000 1.176 546 A CA 1.798 53.943 52.037 0.180 0.000 0.631 546 A CB -1.403 17.760 19.000 0.272 0.000 0.814 546 A HN 0.440 nan 8.150 nan 0.000 0.446 547 A N -1.815 121.067 122.820 0.103 0.000 1.930 547 A HA 0.020 4.333 4.320 -0.012 0.000 0.215 547 A C 2.077 179.691 177.584 0.050 0.000 1.176 547 A CA 1.312 53.395 52.037 0.076 0.000 0.632 547 A CB -0.724 18.333 19.000 0.094 0.000 0.819 547 A HN 0.722 nan 8.150 nan 0.000 0.445 548 Y N 0.651 120.910 120.300 -0.069 0.000 2.224 548 Y HA -0.180 4.362 4.550 -0.012 0.000 0.289 548 Y C 1.870 177.688 175.900 -0.138 0.000 1.146 548 Y CA 1.828 59.868 58.100 -0.100 0.000 1.182 548 Y CB -0.208 38.188 38.460 -0.106 0.000 0.983 548 Y HN 0.216 nan 8.280 nan 0.000 0.524 549 L N 0.032 121.104 121.223 -0.251 0.000 2.017 549 L HA -0.205 4.127 4.340 -0.012 0.000 0.208 549 L C 2.459 179.243 176.870 -0.144 0.000 1.073 549 L CA 1.748 56.441 54.840 -0.245 0.000 0.745 549 L CB -0.548 41.351 42.059 -0.267 0.000 0.894 549 L HN 0.301 nan 8.230 nan 0.000 0.432 550 E N -0.159 119.988 120.200 -0.087 0.000 2.051 550 E HA -0.211 4.132 4.350 -0.012 0.000 0.192 550 E C 2.364 178.922 176.600 -0.071 0.000 0.991 550 E CA 1.064 57.447 56.400 -0.028 0.000 0.799 550 E CB 0.005 29.741 29.700 0.061 0.000 0.748 550 E HN 0.424 nan 8.360 nan 0.000 0.449 551 R N 0.580 121.013 120.500 -0.112 0.000 2.062 551 R HA -0.111 4.222 4.340 -0.012 0.000 0.231 551 R C 1.985 178.145 176.300 -0.233 0.000 1.136 551 R CA 1.170 57.192 56.100 -0.131 0.000 0.948 551 R CB -0.038 30.204 30.300 -0.095 0.000 0.845 551 R HN -0.015 nan 8.270 nan 0.000 0.430 552 E N -1.451 118.498 120.200 -0.419 0.000 2.474 552 E HA -0.009 4.333 4.350 -0.012 0.000 0.194 552 E C 0.020 176.112 176.600 -0.847 0.000 1.041 552 E CA 0.643 56.656 56.400 -0.646 0.000 0.874 552 E CB 0.512 29.663 29.700 -0.915 0.000 0.914 552 E HN 0.337 nan 8.360 nan 0.000 0.498 553 Y N -0.782 119.370 120.300 -0.247 0.000 2.729 553 Y HA 0.190 4.733 4.550 -0.013 0.000 0.266 553 Y C 0.014 175.822 175.900 -0.154 0.000 1.064 553 Y CA -0.563 57.433 58.100 -0.174 0.000 1.251 553 Y CB 0.866 39.218 38.460 -0.178 0.000 1.379 553 Y HN -0.234 nan 8.280 nan 0.000 0.569 554 K N -0.078 120.291 120.400 -0.052 0.000 3.020 554 K HA -0.154 4.158 4.320 -0.012 0.000 0.266 554 K C -0.216 176.212 176.600 -0.286 0.000 1.067 554 K CA 0.913 57.145 56.287 -0.090 0.000 0.780 554 K CB -2.639 29.835 32.500 -0.043 0.000 1.220 554 K HN 0.273 nan 8.250 nan 0.000 0.483 555 V N -1.889 117.873 119.914 -0.255 0.000 2.532 555 V HA 0.518 4.630 4.120 -0.012 0.000 0.295 555 V C 0.295 176.195 176.094 -0.324 0.000 1.041 555 V CA -0.847 61.230 62.300 -0.373 0.000 0.926 555 V CB 1.352 33.065 31.823 -0.185 0.000 0.992 555 V HN 0.279 nan 8.190 nan 0.000 0.457 556 H N 5.054 124.111 119.070 -0.022 0.000 2.541 556 H HA 0.763 5.311 4.556 -0.013 0.000 0.316 556 H C -0.098 175.218 175.328 -0.019 0.000 1.043 556 H CA -0.500 55.539 56.048 -0.015 0.000 1.232 556 H CB 1.510 31.269 29.762 -0.004 0.000 1.406 556 H HN 0.915 nan 8.280 nan 0.000 0.469 557 I N -0.335 120.297 120.570 0.104 0.000 2.689 557 I HA 0.445 4.607 4.170 -0.012 0.000 0.299 557 I C -0.422 175.771 176.117 0.127 0.000 1.059 557 I CA -1.332 60.012 61.300 0.073 0.000 1.055 557 I CB 2.112 40.113 38.000 0.001 0.000 1.243 557 I HN 0.358 nan 8.210 nan 0.000 0.425 558 N N 5.532 124.309 118.700 0.128 0.000 2.401 558 N HA 0.363 5.095 4.740 -0.012 0.000 0.255 558 N C -2.003 173.652 175.510 0.241 0.000 1.110 558 N CA -2.278 50.858 53.050 0.143 0.000 0.949 558 N CB 0.906 39.450 38.487 0.095 0.000 1.110 558 N HN 0.402 nan 8.380 nan 0.000 0.490 559 P HA 0.084 nan 4.420 nan 0.000 0.237 559 P C -0.202 177.102 177.300 0.007 0.000 1.178 559 P CA 0.779 63.983 63.100 0.173 0.000 0.766 559 P CB 0.225 31.997 31.700 0.120 0.000 0.876 560 N N -1.105 117.626 118.700 0.052 0.000 2.336 560 N HA 0.002 4.735 4.740 -0.012 0.000 0.189 560 N C 0.313 175.862 175.510 0.066 0.000 1.113 560 N CA -0.063 53.004 53.050 0.028 0.000 0.858 560 N CB 0.004 38.514 38.487 0.037 0.000 0.970 560 N HN 0.121 nan 8.380 nan 0.000 0.471 561 S N 0.089 115.845 115.700 0.093 0.000 2.614 561 S HA 0.184 4.646 4.470 -0.012 0.000 0.265 561 S C 0.098 174.679 174.600 -0.031 0.000 1.303 561 S CA -0.920 57.317 58.200 0.063 0.000 1.000 561 S CB 1.004 64.269 63.200 0.109 0.000 0.935 561 S HN 0.198 nan 8.310 nan 0.000 0.551 562 L N 2.166 123.197 121.223 -0.319 0.000 2.418 562 L HA 0.349 4.682 4.340 -0.012 0.000 0.274 562 L C -0.885 175.967 176.870 -0.031 0.000 1.135 562 L CA -0.495 53.972 54.840 -0.622 0.000 0.870 562 L CB -0.207 41.204 42.059 -1.081 0.000 1.154 562 L HN 0.705 nan 8.230 nan 0.000 0.462 563 F N 4.295 124.115 119.950 -0.218 0.000 2.405 563 F HA 0.109 4.629 4.527 -0.011 0.000 0.358 563 F C 0.402 176.136 175.800 -0.111 0.000 1.151 563 F CA -0.821 57.119 58.000 -0.100 0.000 1.161 563 F CB 0.601 39.590 39.000 -0.018 0.000 1.245 563 F HN 0.518 nan 8.300 nan 0.000 0.545 564 D N 4.851 125.253 120.400 0.002 0.000 2.412 564 D HA 0.310 4.943 4.640 -0.012 0.000 0.224 564 D C -1.022 175.219 176.300 -0.100 0.000 1.093 564 D CA -0.176 53.780 54.000 -0.073 0.000 0.850 564 D CB 1.368 42.109 40.800 -0.098 0.000 1.046 564 D HN 0.108 nan 8.370 nan 0.000 0.507 565 V N 4.569 124.403 119.914 -0.133 0.000 2.487 565 V HA 0.363 4.476 4.120 -0.012 0.000 0.298 565 V C -0.165 175.776 176.094 -0.255 0.000 1.028 565 V CA -0.813 61.394 62.300 -0.154 0.000 0.860 565 V CB 1.688 33.495 31.823 -0.027 0.000 0.991 565 V HN 0.508 nan 8.190 nan 0.000 0.427 566 Q N 3.945 123.617 119.800 -0.214 0.000 2.401 566 Q HA 0.640 4.973 4.340 -0.012 0.000 0.260 566 Q C -1.308 174.530 176.000 -0.269 0.000 1.034 566 Q CA -0.449 55.215 55.803 -0.231 0.000 0.737 566 Q CB 1.864 30.494 28.738 -0.180 0.000 1.227 566 Q HN 0.797 nan 8.270 nan 0.000 0.488 567 V N 1.492 121.232 119.914 -0.291 0.000 2.487 567 V HA 0.877 4.990 4.120 -0.012 0.000 0.298 567 V C -0.980 174.830 176.094 -0.473 0.000 1.028 567 V CA -0.583 61.353 62.300 -0.607 0.000 0.860 567 V CB 1.278 32.490 31.823 -1.018 0.000 0.991 567 V HN 0.819 nan 8.190 nan 0.000 0.427 568 K N 2.427 122.588 120.400 -0.398 0.000 3.076 568 K HA 0.393 4.705 4.320 -0.012 0.000 0.314 568 K C -1.235 175.380 176.600 0.025 0.000 1.113 568 K CA -1.190 55.065 56.287 -0.054 0.000 0.860 568 K CB 0.759 33.227 32.500 -0.055 0.000 1.435 568 K HN 0.476 nan 8.250 nan 0.000 0.374 569 R N 0.916 121.504 120.500 0.147 0.000 2.698 569 R HA 0.138 4.470 4.340 -0.012 0.000 0.266 569 R C 0.359 176.708 176.300 0.082 0.000 1.026 569 R CA -0.298 55.902 56.100 0.166 0.000 1.102 569 R CB -0.131 30.343 30.300 0.290 0.000 0.978 569 R HN 0.475 nan 8.270 nan 0.000 0.436 570 I N 4.077 124.629 120.570 -0.031 0.000 2.436 570 I HA 0.109 4.272 4.170 -0.012 0.000 0.289 570 I C 0.255 176.174 176.117 -0.330 0.000 1.083 570 I CA 0.254 61.472 61.300 -0.137 0.000 1.372 570 I CB -0.484 37.436 38.000 -0.132 0.000 1.408 570 I HN 0.419 nan 8.210 nan 0.000 0.516 571 H N 3.050 122.040 119.070 -0.134 0.000 2.894 571 H HA 0.239 4.788 4.556 -0.013 0.000 0.367 571 H C 0.626 175.844 175.328 -0.183 0.000 1.144 571 H CA -0.536 55.479 56.048 -0.055 0.000 1.180 571 H CB 1.853 31.498 29.762 -0.195 0.000 1.758 571 H HN 0.482 nan 8.280 nan 0.000 0.541 572 E N 1.166 121.428 120.200 0.103 0.000 2.118 572 E HA -0.274 4.068 4.350 -0.012 0.000 0.195 572 E C 1.237 177.567 176.600 -0.451 0.000 0.992 572 E CA 1.746 58.124 56.400 -0.036 0.000 0.804 572 E CB -0.026 29.841 29.700 0.279 0.000 0.741 572 E HN 0.678 nan 8.360 nan 0.000 0.458 573 Y N 0.686 120.450 120.300 -0.893 0.000 2.352 573 Y HA -0.038 4.505 4.550 -0.013 0.000 0.292 573 Y C 1.532 177.179 175.900 -0.422 0.000 1.136 573 Y CA 0.884 58.308 58.100 -1.127 0.000 1.227 573 Y CB -0.116 37.737 38.460 -1.012 0.000 0.991 573 Y HN -0.203 nan 8.280 nan 0.000 0.545 574 K N 0.640 120.563 120.400 -0.795 0.000 2.432 574 K HA 0.071 4.383 4.320 -0.012 0.000 0.196 574 K C 0.175 176.605 176.600 -0.284 0.000 1.038 574 K CA 0.535 56.491 56.287 -0.553 0.000 0.986 574 K CB -0.025 32.149 32.500 -0.544 0.000 0.782 574 K HN 0.249 nan 8.250 nan 0.000 0.485 575 R N 0.321 120.679 120.500 -0.237 0.000 3.423 575 R HA -0.230 4.103 4.340 -0.012 0.000 0.271 575 R C 0.321 176.539 176.300 -0.136 0.000 1.093 575 R CA 0.246 56.258 56.100 -0.147 0.000 0.730 575 R CB -1.956 28.275 30.300 -0.114 0.000 1.190 575 R HN 0.298 nan 8.270 nan 0.000 0.437 576 Q N 0.364 120.083 119.800 -0.135 0.000 2.197 576 Q HA -0.102 4.231 4.340 -0.012 0.000 0.207 576 Q C 2.047 177.996 176.000 -0.085 0.000 0.984 576 Q CA 1.656 57.395 55.803 -0.107 0.000 0.869 576 Q CB -0.038 28.640 28.738 -0.100 0.000 0.906 576 Q HN 0.581 nan 8.270 nan 0.000 0.426 577 L N -0.603 120.572 121.223 -0.080 0.000 2.083 577 L HA -0.198 4.135 4.340 -0.012 0.000 0.209 577 L C 2.056 178.922 176.870 -0.007 0.000 1.083 577 L CA 0.602 55.409 54.840 -0.055 0.000 0.752 577 L CB -0.377 41.658 42.059 -0.039 0.000 0.899 577 L HN 0.310 nan 8.230 nan 0.000 0.433 578 L N 0.103 121.314 121.223 -0.019 0.000 2.046 578 L HA -0.256 4.076 4.340 -0.012 0.000 0.208 578 L C 2.050 178.968 176.870 0.079 0.000 1.077 578 L CA 1.972 56.810 54.840 -0.004 0.000 0.747 578 L CB -0.851 41.094 42.059 -0.190 0.000 0.896 578 L HN 0.292 nan 8.230 nan 0.000 0.432 579 N N -1.637 117.076 118.700 0.022 0.000 2.069 579 N HA -0.254 4.478 4.740 -0.012 0.000 0.191 579 N C 1.961 177.551 175.510 0.134 0.000 1.031 579 N CA 1.816 54.961 53.050 0.159 0.000 0.852 579 N CB -0.172 38.338 38.487 0.038 0.000 1.018 579 N HN 0.503 nan 8.380 nan 0.000 0.423 580 C N 0.519 119.831 119.300 0.021 0.000 2.413 580 C HA -0.094 4.359 4.460 -0.012 0.000 0.277 580 C C 2.583 177.561 174.990 -0.021 0.000 1.265 580 C CA 0.419 59.402 59.018 -0.058 0.000 1.752 580 C CB -1.279 26.374 27.740 -0.145 0.000 1.998 580 C HN 0.506 nan 8.230 nan 0.000 0.489 581 L N -0.495 120.779 121.223 0.085 0.000 2.056 581 L HA -0.176 4.156 4.340 -0.012 0.000 0.207 581 L C 2.765 179.787 176.870 0.253 0.000 1.078 581 L CA 1.730 56.668 54.840 0.164 0.000 0.749 581 L CB -1.064 41.160 42.059 0.274 0.000 0.901 581 L HN 0.581 nan 8.230 nan 0.000 0.433 582 H N 0.026 119.204 119.070 0.181 0.000 2.353 582 H HA -0.144 4.405 4.556 -0.012 0.000 0.300 582 H C 2.232 177.549 175.328 -0.019 0.000 1.090 582 H CA 1.946 58.011 56.048 0.028 0.000 1.327 582 H CB 0.316 30.011 29.762 -0.112 0.000 1.383 582 H HN 0.086 nan 8.280 nan 0.000 0.508 583 V N 1.633 121.460 119.914 -0.144 0.000 2.287 583 V HA -0.289 3.824 4.120 -0.012 0.000 0.248 583 V C 2.861 178.882 176.094 -0.121 0.000 1.053 583 V CA 1.989 64.168 62.300 -0.200 0.000 1.027 583 V CB -0.537 31.215 31.823 -0.118 0.000 0.646 583 V HN 0.396 nan 8.190 nan 0.000 0.447 584 I N -0.177 120.358 120.570 -0.058 0.000 2.226 584 I HA -0.234 3.928 4.170 -0.012 0.000 0.245 584 I C 2.526 178.695 176.117 0.087 0.000 1.100 584 I CA 1.802 63.137 61.300 0.059 0.000 1.374 584 I CB -0.799 37.207 38.000 0.010 0.000 1.057 584 I HN 0.333 nan 8.210 nan 0.000 0.413 585 T N 1.327 115.893 114.554 0.019 0.000 2.684 585 T HA -0.184 4.158 4.350 -0.012 0.000 0.267 585 T C 1.879 176.534 174.700 -0.075 0.000 1.036 585 T CA 1.356 63.459 62.100 0.006 0.000 1.148 585 T CB -0.296 68.605 68.868 0.055 0.000 0.863 585 T HN 0.088 nan 8.240 nan 0.000 0.436 586 L N -0.068 121.042 121.223 -0.187 0.000 2.017 586 L HA 0.015 4.348 4.340 -0.012 0.000 0.208 586 L C 2.103 178.931 176.870 -0.069 0.000 1.073 586 L CA 1.531 56.255 54.840 -0.192 0.000 0.745 586 L CB -1.044 40.822 42.059 -0.322 0.000 0.894 586 L HN 0.353 nan 8.230 nan 0.000 0.432 587 Y N 0.335 120.569 120.300 -0.110 0.000 2.128 587 Y HA -0.325 4.218 4.550 -0.013 0.000 0.284 587 Y C 2.441 178.322 175.900 -0.032 0.000 1.154 587 Y CA 1.973 60.049 58.100 -0.041 0.000 1.149 587 Y CB -0.107 38.374 38.460 0.036 0.000 0.976 587 Y HN 0.295 nan 8.280 nan 0.000 0.505 588 N N 0.404 119.046 118.700 -0.097 0.000 2.166 588 N HA -0.146 4.586 4.740 -0.012 0.000 0.186 588 N C 1.843 177.235 175.510 -0.195 0.000 1.019 588 N CA 1.562 54.495 53.050 -0.196 0.000 0.856 588 N CB -0.387 38.051 38.487 -0.083 0.000 0.993 588 N HN 0.446 nan 8.380 nan 0.000 0.426 589 R N 0.465 120.881 120.500 -0.141 0.000 2.081 589 R HA 0.054 4.386 4.340 -0.012 0.000 0.235 589 R C 2.277 178.492 176.300 -0.142 0.000 1.131 589 R CA 0.822 56.848 56.100 -0.122 0.000 0.960 589 R CB -0.307 29.933 30.300 -0.101 0.000 0.856 589 R HN 0.232 nan 8.270 nan 0.000 0.436 590 I N 1.014 121.482 120.570 -0.169 0.000 2.163 590 I HA -0.296 3.866 4.170 -0.012 0.000 0.243 590 I C 2.187 178.187 176.117 -0.195 0.000 1.085 590 I CA 1.273 62.472 61.300 -0.167 0.000 1.347 590 I CB -0.233 37.673 38.000 -0.157 0.000 1.044 590 I HN 0.041 nan 8.210 nan 0.000 0.408 591 K N 0.842 121.058 120.400 -0.308 0.000 2.147 591 K HA -0.207 4.106 4.320 -0.012 0.000 0.205 591 K C 2.010 178.505 176.600 -0.174 0.000 1.049 591 K CA 1.200 57.316 56.287 -0.284 0.000 0.936 591 K CB -0.332 31.905 32.500 -0.438 0.000 0.722 591 K HN 0.351 nan 8.250 nan 0.000 0.446 592 K N 1.155 121.460 120.400 -0.158 0.000 2.062 592 K HA -0.087 4.226 4.320 -0.012 0.000 0.205 592 K C 0.010 176.561 176.600 -0.081 0.000 1.051 592 K CA 1.078 57.300 56.287 -0.108 0.000 0.941 592 K CB 0.311 32.752 32.500 -0.099 0.000 0.719 592 K HN 0.078 nan 8.250 nan 0.000 0.440 593 E N 0.396 120.547 120.200 -0.081 0.000 3.037 593 E HA 0.125 4.468 4.350 -0.012 0.000 0.220 593 E C -2.300 174.265 176.600 -0.057 0.000 1.142 593 E CA -1.662 54.703 56.400 -0.057 0.000 0.888 593 E CB 1.677 31.350 29.700 -0.045 0.000 1.329 593 E HN 0.157 nan 8.360 nan 0.000 0.409 594 P HA -0.131 nan 4.420 nan 0.000 0.220 594 P C 0.204 177.486 177.300 -0.030 0.000 1.148 594 P CA 1.166 64.234 63.100 -0.053 0.000 0.803 594 P CB 0.194 31.867 31.700 -0.044 0.000 0.782 595 N N -1.259 117.432 118.700 -0.015 0.000 2.268 595 N HA 0.025 4.758 4.740 -0.012 0.000 0.204 595 N C 0.502 176.027 175.510 0.025 0.000 1.124 595 N CA -0.130 52.924 53.050 0.006 0.000 0.838 595 N CB 0.139 38.630 38.487 0.006 0.000 0.994 595 N HN -0.010 nan 8.380 nan 0.000 0.489 596 K N 1.144 121.553 120.400 0.014 0.000 2.143 596 K HA 0.158 4.470 4.320 -0.012 0.000 0.272 596 K C -0.923 175.715 176.600 0.064 0.000 1.001 596 K CA -0.567 55.745 56.287 0.040 0.000 0.915 596 K CB 0.728 33.233 32.500 0.008 0.000 1.047 596 K HN -0.045 nan 8.250 nan 0.000 0.458 597 F N 4.504 124.441 119.950 -0.021 0.000 2.456 597 F HA 0.209 4.728 4.527 -0.013 0.000 0.358 597 F C -0.369 175.418 175.800 -0.023 0.000 1.095 597 F CA -0.176 57.813 58.000 -0.019 0.000 1.216 597 F CB 0.608 39.600 39.000 -0.014 0.000 1.125 597 F HN 0.172 nan 8.300 nan 0.000 0.549 598 V N 4.082 123.448 119.914 -0.913 0.000 2.876 598 V HA 0.534 4.646 4.120 -0.012 0.000 0.312 598 V C -0.675 174.781 176.094 -1.062 0.000 1.085 598 V CA -1.255 60.609 62.300 -0.726 0.000 0.945 598 V CB 1.035 32.643 31.823 -0.358 0.000 1.017 598 V HN 0.570 nan 8.190 nan 0.000 0.428 599 V N 4.442 124.023 119.914 -0.555 0.000 2.458 599 V HA 0.180 4.293 4.120 -0.012 0.000 0.287 599 V C -1.852 174.072 176.094 -0.284 0.000 1.009 599 V CA -0.464 61.650 62.300 -0.310 0.000 1.091 599 V CB 0.310 32.081 31.823 -0.087 0.000 0.960 599 V HN 0.895 nan 8.190 nan 0.000 0.476 600 P HA 0.285 nan 4.420 nan 0.000 0.268 600 P C -0.384 176.826 177.300 -0.150 0.000 1.204 600 P CA 0.024 63.031 63.100 -0.155 0.000 0.768 600 P CB 0.508 32.166 31.700 -0.069 0.000 0.842 601 R N 1.128 121.551 120.500 -0.129 0.000 2.686 601 R HA 0.539 4.871 4.340 -0.012 0.000 0.286 601 R C -0.687 175.570 176.300 -0.072 0.000 0.969 601 R CA -0.624 55.403 56.100 -0.122 0.000 0.898 601 R CB 1.866 32.079 30.300 -0.145 0.000 1.183 601 R HN 0.307 nan 8.270 nan 0.000 0.456 602 T N 2.237 116.766 114.554 -0.043 0.000 2.770 602 T HA 0.232 4.575 4.350 -0.012 0.000 0.297 602 T C -0.256 174.355 174.700 -0.148 0.000 0.997 602 T CA -0.487 61.543 62.100 -0.117 0.000 0.949 602 T CB 1.054 69.783 68.868 -0.232 0.000 0.941 602 T HN 0.135 nan 8.240 nan 0.000 0.457 603 V N 5.981 125.816 119.914 -0.132 0.000 2.385 603 V HA 0.396 4.509 4.120 -0.012 0.000 0.269 603 V C 0.081 176.095 176.094 -0.133 0.000 1.043 603 V CA -0.401 61.828 62.300 -0.118 0.000 0.906 603 V CB 0.510 32.278 31.823 -0.092 0.000 0.995 603 V HN 0.861 nan 8.190 nan 0.000 0.467 604 M N 6.719 126.231 119.600 -0.146 0.000 2.227 604 M HA 0.616 5.088 4.480 -0.012 0.000 0.335 604 M C -0.966 175.228 176.300 -0.176 0.000 1.053 604 M CA -0.161 55.044 55.300 -0.158 0.000 0.973 604 M CB 1.960 34.467 32.600 -0.155 0.000 1.623 604 M HN 0.411 nan 8.290 nan 0.000 0.434 605 I N 1.870 122.318 120.570 -0.204 0.000 2.465 605 I HA 0.845 5.007 4.170 -0.012 0.000 0.291 605 I C 0.110 175.910 176.117 -0.529 0.000 1.014 605 I CA -0.652 60.501 61.300 -0.245 0.000 1.093 605 I CB 2.273 40.217 38.000 -0.093 0.000 1.267 605 I HN 0.804 nan 8.210 nan 0.000 0.431 606 G N 2.924 111.379 108.800 -0.575 0.000 2.690 606 G HA2 0.830 4.782 3.960 -0.012 0.000 0.293 606 G HA3 0.830 4.782 3.960 -0.012 0.000 0.293 606 G C -1.037 173.573 174.900 -0.484 0.000 1.399 606 G CA -0.767 43.839 45.100 -0.824 0.000 0.890 606 G HN 0.991 nan 8.290 nan 0.000 0.485 607 G N -0.354 108.312 108.800 -0.223 0.000 2.352 607 G HA2 0.416 4.369 3.960 -0.012 0.000 0.305 607 G HA3 0.416 4.369 3.960 -0.012 0.000 0.305 607 G C -1.256 173.783 174.900 0.231 0.000 1.537 607 G CA -1.044 44.098 45.100 0.069 0.000 0.959 607 G HN 0.611 nan 8.290 nan 0.000 0.668 608 K N -0.071 120.460 120.400 0.218 0.000 2.118 608 K HA 0.736 5.049 4.320 -0.012 0.000 0.267 608 K C 0.325 177.048 176.600 0.206 0.000 0.991 608 K CA -0.134 56.297 56.287 0.240 0.000 0.916 608 K CB 1.957 34.513 32.500 0.093 0.000 1.041 608 K HN 0.853 nan 8.250 nan 0.000 0.455 609 A N 1.432 124.401 122.820 0.248 0.000 2.305 609 A HA 0.613 4.926 4.320 -0.012 0.000 0.322 609 A C -0.383 177.375 177.584 0.289 0.000 1.187 609 A CA -0.731 51.392 52.037 0.143 0.000 0.825 609 A CB 0.915 19.930 19.000 0.025 0.000 1.164 609 A HN 0.779 nan 8.150 nan 0.000 0.498 610 A N 3.620 126.597 122.820 0.262 0.000 2.546 610 A HA 0.446 4.758 4.320 -0.012 0.000 0.243 610 A C -1.432 176.269 177.584 0.194 0.000 1.063 610 A CA -0.716 51.498 52.037 0.294 0.000 0.757 610 A CB -0.359 18.815 19.000 0.290 0.000 0.991 610 A HN 0.598 nan 8.150 nan 0.000 0.503 611 P HA -0.115 nan 4.420 nan 0.000 0.217 611 P C 1.269 178.580 177.300 0.017 0.000 1.148 611 P CA 1.860 64.918 63.100 -0.070 0.000 0.828 611 P CB 0.225 31.806 31.700 -0.199 0.000 0.783 612 G N -2.815 106.031 108.800 0.077 0.000 3.284 612 G HA2 -0.065 3.887 3.960 -0.012 0.000 0.236 612 G HA3 -0.065 3.887 3.960 -0.012 0.000 0.236 612 G C -0.326 174.667 174.900 0.155 0.000 1.158 612 G CA -0.089 45.059 45.100 0.081 0.000 0.774 612 G HN 0.311 nan 8.290 nan 0.000 0.545 613 Y N 1.353 121.676 120.300 0.039 0.000 2.700 613 Y HA 0.232 4.774 4.550 -0.013 0.000 0.333 613 Y C 1.493 177.435 175.900 0.071 0.000 1.036 613 Y CA -1.110 57.019 58.100 0.048 0.000 1.287 613 Y CB 0.234 38.716 38.460 0.037 0.000 1.132 613 Y HN 0.306 nan 8.280 nan 0.000 0.510 614 H N 4.388 123.609 119.070 0.251 0.000 2.321 614 H HA -0.201 4.347 4.556 -0.012 0.000 0.300 614 H C 1.752 177.124 175.328 0.073 0.000 1.087 614 H CA 2.222 58.345 56.048 0.125 0.000 1.319 614 H CB 0.407 30.229 29.762 0.100 0.000 1.379 614 H HN 0.737 nan 8.280 nan 0.000 0.501 615 M N 1.076 120.669 119.600 -0.013 0.000 2.149 615 M HA -0.083 4.390 4.480 -0.012 0.000 0.261 615 M C 2.509 178.579 176.300 -0.384 0.000 1.064 615 M CA 1.792 56.998 55.300 -0.157 0.000 1.102 615 M CB -0.640 32.019 32.600 0.099 0.000 1.369 615 M HN 0.344 nan 8.290 nan 0.000 0.408 616 A N -0.462 121.899 122.820 -0.765 0.000 1.930 616 A HA -0.176 4.136 4.320 -0.012 0.000 0.217 616 A C 2.189 179.571 177.584 -0.336 0.000 1.175 616 A CA 1.778 53.391 52.037 -0.706 0.000 0.627 616 A CB -0.615 17.753 19.000 -1.053 0.000 0.815 616 A HN 0.575 nan 8.150 nan 0.000 0.443 617 K N -1.104 119.158 120.400 -0.231 0.000 2.148 617 K HA -0.052 4.260 4.320 -0.012 0.000 0.204 617 K C 1.903 178.455 176.600 -0.080 0.000 1.050 617 K CA 1.234 57.474 56.287 -0.078 0.000 0.942 617 K CB -0.209 32.320 32.500 0.049 0.000 0.724 617 K HN 0.335 nan 8.250 nan 0.000 0.446 618 M N 0.484 119.987 119.600 -0.162 0.000 2.229 618 M HA -0.078 4.395 4.480 -0.012 0.000 0.264 618 M C 2.088 178.317 176.300 -0.118 0.000 1.063 618 M CA 1.389 56.624 55.300 -0.108 0.000 1.114 618 M CB -0.610 31.905 32.600 -0.142 0.000 1.387 618 M HN 0.121 nan 8.290 nan 0.000 0.420 619 I N -0.242 120.221 120.570 -0.177 0.000 2.252 619 I HA -0.291 3.872 4.170 -0.012 0.000 0.245 619 I C 2.275 178.258 176.117 -0.224 0.000 1.102 619 I CA 1.002 62.188 61.300 -0.190 0.000 1.385 619 I CB -0.282 37.606 38.000 -0.187 0.000 1.064 619 I HN 0.161 nan 8.210 nan 0.000 0.414 620 I N 0.677 121.092 120.570 -0.258 0.000 2.179 620 I HA -0.319 3.844 4.170 -0.012 0.000 0.242 620 I C 2.607 178.435 176.117 -0.481 0.000 1.088 620 I CA 1.329 62.375 61.300 -0.424 0.000 1.357 620 I CB -0.327 37.394 38.000 -0.466 0.000 1.051 620 I HN 0.150 nan 8.210 nan 0.000 0.409 621 K N 1.509 121.635 120.400 -0.456 0.000 2.063 621 K HA -0.165 4.148 4.320 -0.012 0.000 0.208 621 K C 2.049 178.492 176.600 -0.262 0.000 1.048 621 K CA 1.507 57.451 56.287 -0.571 0.000 0.928 621 K CB -0.591 31.247 32.500 -1.104 0.000 0.713 621 K HN 0.236 nan 8.250 nan 0.000 0.442 622 L N 0.384 121.490 121.223 -0.194 0.000 2.012 622 L HA -0.200 4.132 4.340 -0.012 0.000 0.210 622 L C 2.213 178.854 176.870 -0.382 0.000 1.073 622 L CA 1.835 56.395 54.840 -0.466 0.000 0.748 622 L CB -0.311 41.383 42.059 -0.608 0.000 0.891 622 L HN 0.283 nan 8.230 nan 0.000 0.431 623 I N -0.234 120.160 120.570 -0.292 0.000 2.163 623 I HA -0.339 3.823 4.170 -0.012 0.000 0.243 623 I C 2.630 178.643 176.117 -0.174 0.000 1.085 623 I CA 1.953 63.133 61.300 -0.201 0.000 1.347 623 I CB -0.567 37.396 38.000 -0.062 0.000 1.044 623 I HN 0.440 nan 8.210 nan 0.000 0.408 624 T N -0.914 113.509 114.554 -0.217 0.000 2.821 624 T HA -0.067 4.275 4.350 -0.012 0.000 0.267 624 T C 1.972 176.606 174.700 -0.110 0.000 1.046 624 T CA 0.933 62.934 62.100 -0.165 0.000 1.139 624 T CB -0.469 68.258 68.868 -0.236 0.000 0.871 624 T HN 0.339 nan 8.240 nan 0.000 0.454 625 A N 1.487 124.242 122.820 -0.108 0.000 1.898 625 A HA 0.160 4.473 4.320 -0.012 0.000 0.216 625 A C 2.371 179.970 177.584 0.025 0.000 1.181 625 A CA 1.210 53.251 52.037 0.007 0.000 0.620 625 A CB -0.797 18.307 19.000 0.173 0.000 0.819 625 A HN 0.581 nan 8.150 nan 0.000 0.442 626 I N -0.235 120.248 120.570 -0.144 0.000 2.179 626 I HA -0.210 3.952 4.170 -0.012 0.000 0.242 626 I C 2.754 178.820 176.117 -0.085 0.000 1.088 626 I CA 1.162 62.354 61.300 -0.179 0.000 1.357 626 I CB -0.723 37.053 38.000 -0.374 0.000 1.051 626 I HN 0.388 nan 8.210 nan 0.000 0.409 627 G N 0.556 109.300 108.800 -0.094 0.000 2.476 627 G HA2 -0.303 3.650 3.960 -0.012 0.000 0.218 627 G HA3 -0.303 3.650 3.960 -0.012 0.000 0.218 627 G C 1.282 176.158 174.900 -0.040 0.000 1.164 627 G CA 1.255 46.308 45.100 -0.079 0.000 0.768 627 G HN 0.292 nan 8.290 nan 0.000 0.560 628 D N -0.117 120.300 120.400 0.027 0.000 2.149 628 D HA -0.087 4.545 4.640 -0.012 0.000 0.198 628 D C 2.716 179.119 176.300 0.171 0.000 0.990 628 D CA 0.810 54.893 54.000 0.138 0.000 0.839 628 D CB -0.221 40.623 40.800 0.074 0.000 0.948 628 D HN 0.258 nan 8.370 nan 0.000 0.460 629 V N 0.090 120.032 119.914 0.046 0.000 2.331 629 V HA -0.136 3.977 4.120 -0.012 0.000 0.242 629 V C 2.610 178.640 176.094 -0.105 0.000 1.034 629 V CA 0.744 63.017 62.300 -0.045 0.000 1.027 629 V CB -0.320 31.439 31.823 -0.107 0.000 0.667 629 V HN 0.022 nan 8.190 nan 0.000 0.457 630 V N 1.048 120.840 119.914 -0.203 0.000 2.295 630 V HA -0.222 3.890 4.120 -0.012 0.000 0.246 630 V C 2.197 178.231 176.094 -0.101 0.000 1.049 630 V CA 2.127 64.291 62.300 -0.225 0.000 1.024 630 V CB -0.873 30.819 31.823 -0.219 0.000 0.648 630 V HN 0.569 nan 8.190 nan 0.000 0.447 631 N N -0.350 118.239 118.700 -0.184 0.000 2.459 631 N HA -0.088 4.645 4.740 -0.012 0.000 0.181 631 N C 1.270 176.523 175.510 -0.427 0.000 1.046 631 N CA 0.956 53.813 53.050 -0.321 0.000 0.904 631 N CB -0.280 37.939 38.487 -0.447 0.000 0.964 631 N HN 0.691 nan 8.380 nan 0.000 0.444 632 H N -1.356 117.714 119.070 0.000 0.000 2.592 632 H HA 0.203 4.751 4.556 -0.012 0.000 0.279 632 H C -0.469 174.875 175.328 0.027 0.000 1.089 632 H CA -0.469 55.585 56.048 0.009 0.000 1.150 632 H CB 0.545 30.303 29.762 -0.007 0.000 1.575 632 H HN -0.008 nan 8.280 nan 0.000 0.547 633 D N 1.819 122.290 120.400 0.117 0.000 2.316 633 D HA 0.033 4.666 4.640 -0.012 0.000 0.245 633 D C -1.622 174.738 176.300 0.101 0.000 1.171 633 D CA -2.019 52.066 54.000 0.142 0.000 0.856 633 D CB 1.691 42.650 40.800 0.265 0.000 1.090 633 D HN 0.114 nan 8.370 nan 0.000 0.476 634 P HA -0.108 nan 4.420 nan 0.000 0.218 634 P C 1.600 178.925 177.300 0.042 0.000 1.149 634 P CA 0.335 63.467 63.100 0.054 0.000 0.817 634 P CB 0.396 32.123 31.700 0.044 0.000 0.785 635 V N -0.454 119.486 119.914 0.043 0.000 2.490 635 V HA -0.176 3.937 4.120 -0.012 0.000 0.250 635 V C 2.480 178.583 176.094 0.015 0.000 1.061 635 V CA 1.520 63.832 62.300 0.020 0.000 1.064 635 V CB -1.089 30.735 31.823 0.002 0.000 0.670 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.221 119.720 119.914 0.045 0.000 2.358 636 V HA 0.086 4.198 4.120 -0.012 0.000 0.246 636 V C 1.751 177.855 176.094 0.016 0.000 1.047 636 V CA 1.640 63.965 62.300 0.042 0.000 1.035 636 V CB -1.229 30.665 31.823 0.117 0.000 0.658 636 V HN 0.764 nan 8.190 nan 0.000 0.452 637 G N 1.439 110.252 108.800 0.022 0.000 2.527 637 G HA2 -0.337 3.616 3.960 -0.012 0.000 0.268 637 G HA3 -0.337 3.616 3.960 -0.012 0.000 0.268 637 G C 0.223 175.127 174.900 0.006 0.000 1.175 637 G CA 0.353 45.461 45.100 0.013 0.000 0.962 637 G HN 0.663 nan 8.290 nan 0.000 0.560 638 D N 0.352 120.754 120.400 0.004 0.000 2.395 638 D HA 0.169 4.801 4.640 -0.012 0.000 0.226 638 D C 1.779 178.071 176.300 -0.013 0.000 1.146 638 D CA 0.036 54.037 54.000 0.002 0.000 0.830 638 D CB -0.103 40.708 40.800 0.018 0.000 0.958 638 D HN 0.603 nan 8.370 nan 0.000 0.501 639 R N -0.677 119.804 120.500 -0.031 0.000 2.200 639 R HA 0.207 4.540 4.340 -0.012 0.000 0.208 639 R C -0.016 176.238 176.300 -0.076 0.000 1.033 639 R CA 0.213 56.271 56.100 -0.071 0.000 1.000 639 R CB 0.316 30.555 30.300 -0.101 0.000 0.906 639 R HN 0.114 nan 8.270 nan 0.000 0.462 640 L N 0.534 121.729 121.223 -0.047 0.000 2.505 640 L HA 0.393 4.726 4.340 -0.012 0.000 0.266 640 L C -1.604 175.237 176.870 -0.049 0.000 0.954 640 L CA -0.494 54.315 54.840 -0.051 0.000 0.852 640 L CB 1.847 43.888 42.059 -0.030 0.000 1.282 640 L HN -0.177 nan 8.230 nan 0.000 0.403 641 R N 3.933 124.391 120.500 -0.070 0.000 2.621 641 R HA 0.763 5.095 4.340 -0.012 0.000 0.284 641 R C -1.705 174.534 176.300 -0.103 0.000 0.998 641 R CA -0.783 55.264 56.100 -0.087 0.000 0.895 641 R CB 2.448 32.699 30.300 -0.082 0.000 1.195 641 R HN 0.423 nan 8.270 nan 0.000 0.450 642 V N 4.905 124.754 119.914 -0.107 0.000 2.407 642 V HA 0.487 4.600 4.120 -0.012 0.000 0.291 642 V C -0.446 175.594 176.094 -0.089 0.000 1.018 642 V CA -0.712 61.528 62.300 -0.101 0.000 0.842 642 V CB 1.679 33.441 31.823 -0.103 0.000 0.996 642 V HN 0.532 nan 8.190 nan 0.000 0.426 643 I N 4.898 125.416 120.570 -0.086 0.000 2.498 643 I HA 0.435 4.597 4.170 -0.012 0.000 0.290 643 I C -0.669 175.425 176.117 -0.038 0.000 1.032 643 I CA -0.358 60.899 61.300 -0.071 0.000 1.073 643 I CB 1.905 39.838 38.000 -0.113 0.000 1.251 643 I HN 0.544 nan 8.210 nan 0.000 0.426 644 F N 7.045 126.920 119.950 -0.126 0.000 2.404 644 F HA 0.462 4.982 4.527 -0.012 0.000 0.358 644 F C -0.466 175.262 175.800 -0.120 0.000 1.120 644 F CA -0.605 57.326 58.000 -0.116 0.000 1.144 644 F CB 0.622 39.557 39.000 -0.109 0.000 1.133 644 F HN 0.169 nan 8.300 nan 0.000 0.495 645 L N 6.191 127.013 121.223 -0.668 0.000 2.342 645 L HA 0.161 4.494 4.340 -0.012 0.000 0.285 645 L C 0.233 176.839 176.870 -0.440 0.000 1.095 645 L CA 0.123 54.706 54.840 -0.429 0.000 0.843 645 L CB 0.107 42.005 42.059 -0.269 0.000 1.201 645 L HN 0.606 nan 8.230 nan 0.000 0.445 646 E N 3.240 123.328 120.200 -0.187 0.000 2.373 646 E HA -0.013 4.329 4.350 -0.012 0.000 0.267 646 E C 0.552 177.218 176.600 0.110 0.000 1.032 646 E CA -0.115 56.317 56.400 0.053 0.000 0.889 646 E CB 0.290 29.991 29.700 0.003 0.000 0.984 646 E HN 0.533 nan 8.360 nan 0.000 0.425 647 N N 2.545 121.366 118.700 0.200 0.000 2.740 647 N HA -0.281 4.452 4.740 -0.012 0.000 0.248 647 N C -1.511 174.100 175.510 0.167 0.000 1.062 647 N CA 0.508 53.673 53.050 0.191 0.000 0.704 647 N CB -1.623 36.990 38.487 0.210 0.000 0.968 647 N HN 0.490 nan 8.380 nan 0.000 0.547 648 Y N 1.558 121.874 120.300 0.026 0.000 2.805 648 Y HA 0.119 4.661 4.550 -0.013 0.000 0.331 648 Y C 1.165 177.092 175.900 0.045 0.000 1.241 648 Y CA 0.851 58.955 58.100 0.008 0.000 1.546 648 Y CB 0.282 38.713 38.460 -0.048 0.000 1.248 648 Y HN 0.375 nan 8.280 nan 0.000 0.559 649 R N 2.400 122.556 120.500 -0.573 0.000 2.756 649 R HA 0.424 4.756 4.340 -0.012 0.000 0.273 649 R C -0.613 175.368 176.300 -0.531 0.000 1.030 649 R CA -0.548 55.319 56.100 -0.388 0.000 0.887 649 R CB 0.263 30.522 30.300 -0.068 0.000 1.274 649 R HN 0.349 nan 8.270 nan 0.000 0.461 650 V N 1.114 120.760 119.914 -0.446 0.000 2.287 650 V HA -0.275 3.838 4.120 -0.012 0.000 0.248 650 V C 2.613 178.595 176.094 -0.187 0.000 1.053 650 V CA 2.787 64.877 62.300 -0.350 0.000 1.027 650 V CB -0.779 30.801 31.823 -0.405 0.000 0.646 650 V HN 0.912 nan 8.190 nan 0.000 0.447 651 S N 0.103 115.714 115.700 -0.148 0.000 2.382 651 S HA -0.185 4.278 4.470 -0.012 0.000 0.228 651 S C 1.951 176.509 174.600 -0.069 0.000 1.027 651 S CA 1.660 59.800 58.200 -0.100 0.000 0.991 651 S CB -0.536 62.634 63.200 -0.051 0.000 0.823 651 S HN 0.382 nan 8.310 nan 0.000 0.469 652 L N 2.083 123.275 121.223 -0.051 0.000 2.109 652 L HA 0.297 4.629 4.340 -0.012 0.000 0.207 652 L C 2.727 179.625 176.870 0.047 0.000 1.086 652 L CA 1.452 56.309 54.840 0.029 0.000 0.760 652 L CB -1.389 40.748 42.059 0.130 0.000 0.910 652 L HN 0.364 nan 8.230 nan 0.000 0.437 653 A N -0.691 122.127 122.820 -0.003 0.000 1.940 653 A HA -0.258 4.054 4.320 -0.012 0.000 0.219 653 A C 2.143 179.803 177.584 0.126 0.000 1.176 653 A CA 1.942 54.051 52.037 0.120 0.000 0.631 653 A CB -0.641 18.406 19.000 0.078 0.000 0.814 653 A HN 0.605 nan 8.150 nan 0.000 0.446 654 E N -0.497 119.760 120.200 0.095 0.000 2.265 654 E HA -0.166 4.176 4.350 -0.012 0.000 0.196 654 E C 1.938 178.518 176.600 -0.033 0.000 0.996 654 E CA 1.248 57.660 56.400 0.020 0.000 0.832 654 E CB -0.052 29.561 29.700 -0.145 0.000 0.756 654 E HN 0.641 nan 8.360 nan 0.000 0.491 655 K N 0.050 120.415 120.400 -0.059 0.000 2.078 655 K HA 0.017 4.329 4.320 -0.012 0.000 0.203 655 K C 2.177 178.638 176.600 -0.232 0.000 1.043 655 K CA 0.496 56.738 56.287 -0.075 0.000 0.960 655 K CB -0.087 32.368 32.500 -0.075 0.000 0.761 655 K HN -0.051 nan 8.250 nan 0.000 0.448 656 V N 1.943 121.636 119.914 -0.369 0.000 2.453 656 V HA -0.149 3.963 4.120 -0.012 0.000 0.247 656 V C 1.909 177.778 176.094 -0.376 0.000 1.048 656 V CA 1.322 63.176 62.300 -0.743 0.000 1.049 656 V CB -0.186 31.316 31.823 -0.536 0.000 0.672 656 V HN 0.249 nan 8.190 nan 0.000 0.457 657 I N 0.573 120.975 120.570 -0.279 0.000 2.179 657 I HA -0.134 4.028 4.170 -0.012 0.000 0.242 657 I C -0.213 175.800 176.117 -0.174 0.000 1.088 657 I CA 1.618 62.682 61.300 -0.392 0.000 1.357 657 I CB -1.511 36.116 38.000 -0.622 0.000 1.051 657 I HN 0.365 nan 8.210 nan 0.000 0.409 658 P HA -0.132 nan 4.420 nan 0.000 0.220 658 P C 1.150 178.451 177.300 0.002 0.000 1.148 658 P CA 1.385 64.468 63.100 -0.028 0.000 0.803 658 P CB 0.014 31.706 31.700 -0.013 0.000 0.782 659 A N -0.991 121.812 122.820 -0.027 0.000 2.169 659 A HA 0.375 4.687 4.320 -0.012 0.000 0.212 659 A C 1.260 178.938 177.584 0.157 0.000 1.153 659 A CA 0.326 52.397 52.037 0.056 0.000 0.756 659 A CB -0.845 18.182 19.000 0.045 0.000 0.813 659 A HN 0.214 nan 8.150 nan 0.000 0.471 660 A N -0.065 122.854 122.820 0.165 0.000 2.354 660 A HA 0.457 4.770 4.320 -0.012 0.000 0.269 660 A C 0.367 178.098 177.584 0.245 0.000 1.109 660 A CA -0.141 52.056 52.037 0.268 0.000 0.800 660 A CB 0.338 19.587 19.000 0.415 0.000 1.045 660 A HN 0.285 nan 8.150 nan 0.000 0.489 661 D N 0.434 120.977 120.400 0.239 0.000 2.323 661 D HA 0.121 4.754 4.640 -0.012 0.000 0.218 661 D C 0.026 176.545 176.300 0.365 0.000 0.973 661 D CA 0.761 54.959 54.000 0.331 0.000 0.890 661 D CB 0.321 41.239 40.800 0.195 0.000 1.011 661 D HN 0.361 nan 8.370 nan 0.000 0.499 662 L N 1.022 122.339 121.223 0.156 0.000 2.381 662 L HA 0.285 4.618 4.340 -0.012 0.000 0.274 662 L C -0.912 175.835 176.870 -0.205 0.000 0.988 662 L CA -0.311 54.542 54.840 0.022 0.000 0.824 662 L CB 2.165 44.214 42.059 -0.017 0.000 1.263 662 L HN -0.200 nan 8.230 nan 0.000 0.410 663 S N 4.233 119.721 115.700 -0.354 0.000 2.422 663 S HA 0.325 4.787 4.470 -0.012 0.000 0.308 663 S C -0.386 173.939 174.600 -0.460 0.000 1.097 663 S CA -0.659 57.087 58.200 -0.757 0.000 1.099 663 S CB 0.612 63.324 63.200 -0.814 0.000 0.976 663 S HN 0.552 nan 8.310 nan 0.000 0.471 664 E N 4.164 124.109 120.200 -0.424 0.000 2.089 664 E HA 0.196 4.539 4.350 -0.012 0.000 0.284 664 E C -0.523 175.968 176.600 -0.182 0.000 1.023 664 E CA -0.367 55.908 56.400 -0.208 0.000 0.819 664 E CB 0.935 30.544 29.700 -0.153 0.000 1.076 664 E HN 0.606 nan 8.360 nan 0.000 0.396 665 Q N 2.886 122.633 119.800 -0.087 0.000 2.907 665 Q HA 0.278 4.610 4.340 -0.012 0.000 0.262 665 Q C 0.602 176.595 176.000 -0.012 0.000 0.997 665 Q CA -0.139 55.629 55.803 -0.059 0.000 0.797 665 Q CB 0.279 28.994 28.738 -0.039 0.000 1.228 665 Q HN 0.612 nan 8.270 nan 0.000 0.466 666 I N -1.792 118.755 120.570 -0.038 0.000 3.707 666 I HA 0.263 4.426 4.170 -0.012 0.000 0.330 666 I C 0.423 176.497 176.117 -0.071 0.000 1.572 666 I CA -0.706 60.588 61.300 -0.010 0.000 1.104 666 I CB 0.592 38.585 38.000 -0.013 0.000 1.240 666 I HN 0.022 nan 8.210 nan 0.000 0.475 667 S N 0.521 116.176 115.700 -0.074 0.000 2.568 667 S HA 0.155 4.617 4.470 -0.012 0.000 0.282 667 S C 0.592 175.180 174.600 -0.021 0.000 1.338 667 S CA -0.198 57.977 58.200 -0.042 0.000 1.045 667 S CB 0.198 63.422 63.200 0.040 0.000 0.873 667 S HN 0.381 nan 8.310 nan 0.000 0.516 668 T N 2.980 117.553 114.554 0.032 0.000 2.908 668 T HA 0.350 4.693 4.350 -0.012 0.000 0.301 668 T C 0.793 175.507 174.700 0.024 0.000 1.019 668 T CA 0.327 62.453 62.100 0.045 0.000 1.152 668 T CB -0.101 68.863 68.868 0.160 0.000 0.966 668 T HN 1.037 nan 8.240 nan 0.000 0.540 669 A N 2.749 125.551 122.820 -0.029 0.000 2.567 669 A HA 0.454 4.766 4.320 -0.012 0.000 0.240 669 A C 1.644 179.223 177.584 -0.009 0.000 1.053 669 A CA 0.268 52.283 52.037 -0.037 0.000 0.755 669 A CB -0.853 18.111 19.000 -0.059 0.000 0.978 669 A HN 1.763 nan 8.150 nan 0.000 0.507 670 G N 1.337 110.131 108.800 -0.011 0.000 2.175 670 G HA2 -0.236 3.717 3.960 -0.012 0.000 0.244 670 G HA3 -0.236 3.717 3.960 -0.012 0.000 0.244 670 G C 0.812 175.700 174.900 -0.020 0.000 0.982 670 G CA 1.164 46.258 45.100 -0.010 0.000 0.641 670 G HN 1.996 nan 8.290 nan 0.000 0.527 671 T N -2.647 111.895 114.554 -0.020 0.000 3.026 671 T HA 0.408 4.751 4.350 -0.012 0.000 0.245 671 T C 0.739 175.291 174.700 -0.247 0.000 1.004 671 T CA 1.006 63.033 62.100 -0.121 0.000 1.069 671 T CB 0.544 69.401 68.868 -0.017 0.000 1.005 671 T HN 0.270 nan 8.240 nan 0.000 0.472 672 E N 1.623 121.814 120.200 -0.015 0.000 2.052 672 E HA 0.655 4.998 4.350 -0.012 0.000 0.283 672 E C 1.172 177.723 176.600 -0.082 0.000 1.071 672 E CA 0.096 56.525 56.400 0.049 0.000 0.851 672 E CB 0.770 30.553 29.700 0.138 0.000 1.066 672 E HN 0.364 nan 8.360 nan 0.000 0.396 673 A N 3.430 126.122 122.820 -0.214 0.000 1.873 673 A HA -0.226 4.087 4.320 -0.012 0.000 0.218 673 A C 2.012 179.476 177.584 -0.201 0.000 1.193 673 A CA 2.296 54.073 52.037 -0.432 0.000 0.629 673 A CB -0.318 18.165 19.000 -0.861 0.000 0.826 673 A HN 0.604 nan 8.150 nan 0.000 0.447 674 S N -3.756 111.883 115.700 -0.101 0.000 3.624 674 S HA 0.451 4.914 4.470 -0.012 0.000 0.244 674 S C 0.741 175.333 174.600 -0.013 0.000 1.115 674 S CA 1.458 59.645 58.200 -0.021 0.000 0.820 674 S CB -0.112 63.102 63.200 0.023 0.000 0.964 674 S HN 2.269 nan 8.310 nan 0.000 0.508 675 G N 0.402 109.199 108.800 -0.005 0.000 2.722 675 G HA2 -0.078 3.875 3.960 -0.012 0.000 0.686 675 G HA3 -0.078 3.875 3.960 -0.012 0.000 0.686 675 G C 0.255 175.139 174.900 -0.026 0.000 1.282 675 G CA 0.447 45.541 45.100 -0.010 0.000 0.817 675 G HN 1.286 nan 8.290 nan 0.000 0.605 676 T N -1.756 112.770 114.554 -0.048 0.000 3.010 676 T HA 0.376 4.719 4.350 -0.012 0.000 0.253 676 T C 2.426 177.030 174.700 -0.159 0.000 0.939 676 T CA 1.274 63.318 62.100 -0.093 0.000 0.910 676 T CB 0.190 68.997 68.868 -0.102 0.000 1.226 676 T HN 1.927 nan 8.240 nan 0.000 0.508 677 G N 3.264 111.993 108.800 -0.117 0.000 2.469 677 G HA2 -0.324 3.628 3.960 -0.012 0.000 0.219 677 G HA3 -0.324 3.628 3.960 -0.012 0.000 0.219 677 G C 1.467 176.419 174.900 0.086 0.000 1.150 677 G CA 1.324 46.378 45.100 -0.077 0.000 0.763 677 G HN 0.848 nan 8.290 nan 0.000 0.561 678 N N -0.113 118.620 118.700 0.056 0.000 2.094 678 N HA -0.110 4.623 4.740 -0.012 0.000 0.191 678 N C 1.445 176.962 175.510 0.012 0.000 1.023 678 N CA 0.696 53.780 53.050 0.057 0.000 0.857 678 N CB -0.333 38.143 38.487 -0.019 0.000 1.013 678 N HN 0.351 nan 8.380 nan 0.000 0.426 682 M N 0.303 119.991 119.600 0.146 0.000 2.159 682 M HA -0.144 4.328 4.480 -0.012 0.000 0.263 682 M C 1.962 178.317 176.300 0.093 0.000 1.063 682 M CA 1.781 57.139 55.300 0.096 0.000 1.110 682 M CB -0.035 32.610 32.600 0.075 0.000 1.374 682 M HN 0.317 nan 8.290 nan 0.000 0.411 683 L N 0.634 121.908 121.223 0.085 0.000 2.291 683 L HA -0.060 4.272 4.340 -0.012 0.000 0.214 683 L C 1.299 178.216 176.870 0.079 0.000 1.120 683 L CA 1.591 56.488 54.840 0.095 0.000 0.799 683 L CB -0.564 41.560 42.059 0.109 0.000 0.925 683 L HN 0.334 nan 8.230 nan 0.000 0.446 684 N N -0.321 118.418 118.700 0.064 0.000 2.214 684 N HA 0.186 4.919 4.740 -0.012 0.000 0.214 684 N C 0.836 176.386 175.510 0.067 0.000 1.132 684 N CA 0.788 53.870 53.050 0.053 0.000 0.856 684 N CB 0.664 39.161 38.487 0.016 0.000 1.020 684 N HN 0.380 nan 8.380 nan 0.000 0.509 685 G N 0.537 109.383 108.800 0.076 0.000 2.142 685 G HA2 -0.191 3.762 3.960 -0.012 0.000 0.225 685 G HA3 -0.191 3.762 3.960 -0.012 0.000 0.225 685 G C 0.001 174.973 174.900 0.120 0.000 1.015 685 G CA 0.114 45.259 45.100 0.074 0.000 0.716 685 G HN 0.514 nan 8.290 nan 0.000 0.508 686 A N -0.285 122.619 122.820 0.141 0.000 2.312 686 A HA 0.878 5.190 4.320 -0.012 0.000 0.328 686 A C 0.473 178.072 177.584 0.026 0.000 1.158 686 A CA -0.596 51.540 52.037 0.165 0.000 0.821 686 A CB 0.938 20.088 19.000 0.251 0.000 1.170 686 A HN 0.727 nan 8.150 nan 0.000 0.490 687 L N 0.789 121.988 121.223 -0.040 0.000 2.421 687 L HA 0.425 4.757 4.340 -0.012 0.000 0.263 687 L C 0.203 176.957 176.870 -0.193 0.000 1.122 687 L CA -0.314 54.410 54.840 -0.193 0.000 0.804 687 L CB 1.400 43.255 42.059 -0.340 0.000 1.150 687 L HN 0.684 nan 8.230 nan 0.000 0.457 688 T N 2.752 117.067 114.554 -0.399 0.000 2.779 688 T HA 0.446 4.789 4.350 -0.012 0.000 0.280 688 T C -0.362 174.124 174.700 -0.355 0.000 0.987 688 T CA -0.258 61.536 62.100 -0.511 0.000 0.966 688 T CB 1.444 69.784 68.868 -0.880 0.000 0.933 688 T HN 0.350 nan 8.240 nan 0.000 0.442 689 I N 3.065 123.558 120.570 -0.127 0.000 2.321 689 I HA 0.704 4.867 4.170 -0.012 0.000 0.291 689 I C 0.113 176.357 176.117 0.212 0.000 0.998 689 I CA 0.087 61.442 61.300 0.092 0.000 1.227 689 I CB 0.297 38.311 38.000 0.023 0.000 1.368 689 I HN 0.772 nan 8.210 nan 0.000 0.466 690 G N 4.021 113.036 108.800 0.358 0.000 2.646 690 G HA2 0.458 4.410 3.960 -0.012 0.000 0.291 690 G HA3 0.458 4.410 3.960 -0.012 0.000 0.291 690 G C -0.907 173.936 174.900 -0.096 0.000 1.445 690 G CA -0.486 44.743 45.100 0.215 0.000 0.814 690 G HN 0.588 nan 8.290 nan 0.000 0.495 691 T N -1.016 113.342 114.554 -0.327 0.000 2.849 691 T HA 0.475 4.817 4.350 -0.012 0.000 0.284 691 T C 0.800 175.390 174.700 -0.183 0.000 1.004 691 T CA -0.696 61.131 62.100 -0.455 0.000 1.021 691 T CB 1.096 69.717 68.868 -0.412 0.000 1.013 691 T HN 0.260 nan 8.240 nan 0.000 0.527 692 M N 2.989 122.487 119.600 -0.170 0.000 3.442 692 M HA 0.303 4.775 4.480 -0.012 0.000 0.232 692 M C -0.376 175.871 176.300 -0.089 0.000 1.508 692 M CA 0.038 55.271 55.300 -0.112 0.000 1.647 692 M CB -1.914 30.626 32.600 -0.099 0.000 1.126 692 M HN 0.735 nan 8.290 nan 0.000 0.557 693 D N -0.059 120.296 120.400 -0.074 0.000 2.732 693 D HA 0.668 5.301 4.640 -0.012 0.000 0.229 693 D C 0.702 176.983 176.300 -0.033 0.000 1.152 693 D CA 0.737 54.708 54.000 -0.048 0.000 0.854 693 D CB 1.711 42.485 40.800 -0.043 0.000 1.590 693 D HN 0.591 nan 8.370 nan 0.000 0.468 694 G N 1.753 110.543 108.800 -0.018 0.000 2.627 694 G HA2 -0.255 3.698 3.960 -0.012 0.000 0.312 694 G HA3 -0.255 3.698 3.960 -0.012 0.000 0.312 694 G C 1.023 175.918 174.900 -0.008 0.000 1.299 694 G CA 1.184 46.278 45.100 -0.009 0.000 0.989 694 G HN 1.076 nan 8.290 nan 0.000 0.547 695 A N -0.340 122.471 122.820 -0.016 0.000 2.167 695 A HA 0.130 4.442 4.320 -0.012 0.000 0.214 695 A C 2.103 179.625 177.584 -0.104 0.000 1.151 695 A CA 1.718 53.740 52.037 -0.025 0.000 0.735 695 A CB -0.420 18.558 19.000 -0.036 0.000 0.802 695 A HN 0.621 nan 8.150 nan 0.000 0.467 696 N N 0.684 119.331 118.700 -0.088 0.000 2.091 696 N HA -0.170 4.562 4.740 -0.012 0.000 0.193 696 N C 1.610 176.971 175.510 -0.249 0.000 1.021 696 N CA 1.669 54.656 53.050 -0.106 0.000 0.862 696 N CB -0.685 37.801 38.487 -0.001 0.000 1.018 696 N HN 0.287 nan 8.380 nan 0.000 0.429 697 V N 1.246 121.068 119.914 -0.154 0.000 2.287 697 V HA -0.228 3.884 4.120 -0.012 0.000 0.248 697 V C 2.001 178.013 176.094 -0.136 0.000 1.053 697 V CA 1.765 63.974 62.300 -0.151 0.000 1.027 697 V CB -0.501 31.274 31.823 -0.079 0.000 0.646 697 V HN 0.367 nan 8.190 nan 0.000 0.447 698 E N -0.692 119.487 120.200 -0.035 0.000 2.158 698 E HA -0.115 4.228 4.350 -0.012 0.000 0.191 698 E C 2.221 178.932 176.600 0.185 0.000 0.982 698 E CA 0.970 57.430 56.400 0.100 0.000 0.823 698 E CB -0.180 29.666 29.700 0.242 0.000 0.766 698 E HN 0.542 nan 8.360 nan 0.000 0.468 699 M N 0.562 120.155 119.600 -0.011 0.000 2.086 699 M HA -0.167 4.306 4.480 -0.012 0.000 0.261 699 M C 2.512 178.631 176.300 -0.302 0.000 1.067 699 M CA 1.620 56.847 55.300 -0.122 0.000 1.116 699 M CB -0.243 32.175 32.600 -0.303 0.000 1.348 699 M HN 0.145 nan 8.290 nan 0.000 0.407 700 A N -0.124 122.230 122.820 -0.776 0.000 1.902 700 A HA -0.226 4.086 4.320 -0.012 0.000 0.217 700 A C 1.992 179.406 177.584 -0.285 0.000 1.181 700 A CA 2.012 53.568 52.037 -0.801 0.000 0.623 700 A CB -0.832 17.646 19.000 -0.870 0.000 0.818 700 A HN 0.588 nan 8.150 nan 0.000 0.443 701 E N -0.404 119.687 120.200 -0.182 0.000 2.051 701 E HA -0.227 4.115 4.350 -0.012 0.000 0.192 701 E C 1.854 178.435 176.600 -0.033 0.000 0.991 701 E CA 1.327 57.678 56.400 -0.082 0.000 0.799 701 E CB -0.091 29.577 29.700 -0.053 0.000 0.748 701 E HN 0.548 nan 8.360 nan 0.000 0.449 702 E N 0.158 120.370 120.200 0.019 0.000 2.051 702 E HA -0.171 4.172 4.350 -0.012 0.000 0.192 702 E C 1.899 178.526 176.600 0.045 0.000 0.991 702 E CA 1.243 57.673 56.400 0.049 0.000 0.799 702 E CB -0.298 29.485 29.700 0.138 0.000 0.748 702 E HN 0.379 nan 8.360 nan 0.000 0.449 703 A N 0.357 123.209 122.820 0.055 0.000 2.072 703 A HA 0.304 4.617 4.320 -0.012 0.000 0.216 703 A C 1.096 178.694 177.584 0.024 0.000 1.156 703 A CA 1.163 53.240 52.037 0.066 0.000 0.701 703 A CB -0.120 18.964 19.000 0.140 0.000 0.816 703 A HN 0.279 nan 8.150 nan 0.000 0.458 704 G N -0.587 108.206 108.800 -0.011 0.000 3.055 704 G HA2 -0.103 3.850 3.960 -0.012 0.000 0.686 704 G HA3 -0.103 3.850 3.960 -0.012 0.000 0.686 704 G C -0.014 174.869 174.900 -0.028 0.000 1.087 704 G CA -0.004 45.081 45.100 -0.025 0.000 0.779 704 G HN 0.270 nan 8.290 nan 0.000 0.599 705 E N 1.075 121.247 120.200 -0.046 0.000 2.209 705 E HA -0.159 4.183 4.350 -0.012 0.000 0.196 705 E C 2.006 178.590 176.600 -0.026 0.000 0.993 705 E CA 1.705 58.084 56.400 -0.035 0.000 0.819 705 E CB 0.084 29.760 29.700 -0.040 0.000 0.745 705 E HN 0.776 nan 8.360 nan 0.000 0.477 706 E N 0.796 120.968 120.200 -0.047 0.000 2.268 706 E HA -0.092 4.250 4.350 -0.012 0.000 0.195 706 E C 1.003 177.513 176.600 -0.150 0.000 0.995 706 E CA 0.648 56.998 56.400 -0.084 0.000 0.836 706 E CB -0.017 29.647 29.700 -0.061 0.000 0.763 706 E HN 0.149 nan 8.360 nan 0.000 0.491 707 N N -0.439 118.200 118.700 -0.101 0.000 2.238 707 N HA 0.151 4.883 4.740 -0.012 0.000 0.222 707 N C -1.000 174.434 175.510 -0.126 0.000 1.133 707 N CA 0.040 53.005 53.050 -0.141 0.000 0.854 707 N CB 0.443 38.898 38.487 -0.053 0.000 1.041 707 N HN 0.049 nan 8.380 nan 0.000 0.510 708 F N -0.252 119.488 119.950 -0.349 0.000 2.588 708 F HA 0.411 4.930 4.527 -0.014 0.000 0.310 708 F C -0.934 174.651 175.800 -0.358 0.000 1.082 708 F CA -1.095 56.743 58.000 -0.270 0.000 0.929 708 F CB 1.331 40.258 39.000 -0.122 0.000 1.254 708 F HN -0.219 nan 8.300 nan 0.000 0.455 709 F N 5.847 125.764 119.950 -0.056 0.000 2.384 709 F HA 0.431 4.951 4.527 -0.012 0.000 0.359 709 F C -0.178 175.750 175.800 0.215 0.000 1.143 709 F CA -0.379 57.650 58.000 0.049 0.000 1.216 709 F CB 0.040 39.015 39.000 -0.041 0.000 1.512 709 F HN 0.083 nan 8.300 nan 0.000 0.573 710 I N 4.206 124.996 120.570 0.365 0.000 2.385 710 I HA 0.401 4.563 4.170 -0.012 0.000 0.294 710 I C -0.281 176.033 176.117 0.328 0.000 0.988 710 I CA -0.654 60.831 61.300 0.309 0.000 1.265 710 I CB 0.855 38.961 38.000 0.177 0.000 1.388 710 I HN 0.346 nan 8.210 nan 0.000 0.480 711 F N 3.563 123.589 119.950 0.126 0.000 2.685 711 F HA 0.952 5.471 4.527 -0.013 0.000 0.315 711 F C 0.013 175.858 175.800 0.075 0.000 1.126 711 F CA -0.717 57.342 58.000 0.100 0.000 0.950 711 F CB 1.061 40.131 39.000 0.118 0.000 1.360 711 F HN 0.779 nan 8.300 nan 0.000 0.469 712 G N 0.991 109.854 108.800 0.106 0.000 2.710 712 G HA2 -0.059 3.893 3.960 -0.012 0.000 0.668 712 G HA3 -0.059 3.893 3.960 -0.012 0.000 0.668 712 G C -0.937 173.939 174.900 -0.040 0.000 1.320 712 G CA -0.680 44.427 45.100 0.012 0.000 0.860 712 G HN 0.958 nan 8.290 nan 0.000 0.538 713 M N 0.972 120.560 119.600 -0.020 0.000 2.251 713 M HA 0.175 4.648 4.480 -0.012 0.000 0.343 713 M C 1.247 177.514 176.300 -0.056 0.000 1.245 713 M CA 0.089 55.380 55.300 -0.014 0.000 1.061 713 M CB 0.257 32.856 32.600 -0.002 0.000 1.723 713 M HN 0.515 nan 8.290 nan 0.000 0.449 714 R N 1.940 122.419 120.500 -0.035 0.000 2.583 714 R HA 0.225 4.557 4.340 -0.012 0.000 0.268 714 R C 1.236 177.517 176.300 -0.031 0.000 1.101 714 R CA -0.536 55.539 56.100 -0.042 0.000 1.180 714 R CB -0.061 30.220 30.300 -0.030 0.000 1.128 714 R HN 0.579 nan 8.270 nan 0.000 0.568 715 V N 1.610 121.504 119.914 -0.033 0.000 2.317 715 V HA -0.304 3.809 4.120 -0.012 0.000 0.251 715 V C 1.882 177.965 176.094 -0.018 0.000 1.065 715 V CA 2.180 64.465 62.300 -0.026 0.000 1.049 715 V CB -0.455 31.351 31.823 -0.029 0.000 0.651 715 V HN 0.642 nan 8.190 nan 0.000 0.450 716 E N -0.048 120.144 120.200 -0.014 0.000 2.110 716 E HA -0.175 4.167 4.350 -0.012 0.000 0.193 716 E C 1.946 178.549 176.600 0.006 0.000 0.988 716 E CA 1.333 57.730 56.400 -0.006 0.000 0.804 716 E CB -0.364 29.333 29.700 -0.005 0.000 0.745 716 E HN 0.637 nan 8.360 nan 0.000 0.458 717 D N -0.068 120.338 120.400 0.009 0.000 2.144 717 D HA -0.097 4.536 4.640 -0.012 0.000 0.200 717 D C 1.970 178.286 176.300 0.027 0.000 0.978 717 D CA 0.787 54.803 54.000 0.027 0.000 0.833 717 D CB -0.084 40.735 40.800 0.033 0.000 0.961 717 D HN 0.067 nan 8.370 nan 0.000 0.470 718 V N 1.828 121.746 119.914 0.006 0.000 2.307 718 V HA -0.211 3.901 4.120 -0.012 0.000 0.245 718 V C 1.975 178.069 176.094 0.000 0.000 1.045 718 V CA 1.679 63.975 62.300 -0.007 0.000 1.024 718 V CB -0.417 31.392 31.823 -0.024 0.000 0.651 718 V HN 0.016 nan 8.190 nan 0.000 0.449 719 D N -0.045 120.355 120.400 0.000 0.000 2.104 719 D HA -0.174 4.459 4.640 -0.012 0.000 0.194 719 D C 2.404 178.715 176.300 0.018 0.000 0.994 719 D CA 1.352 55.354 54.000 0.003 0.000 0.830 719 D CB -0.285 40.513 40.800 -0.003 0.000 0.959 719 D HN 0.331 nan 8.370 nan 0.000 0.452 720 R N 0.024 120.540 120.500 0.027 0.000 2.091 720 R HA -0.046 4.287 4.340 -0.012 0.000 0.238 720 R C 2.499 178.835 176.300 0.060 0.000 1.136 720 R CA 0.582 56.706 56.100 0.040 0.000 0.959 720 R CB -0.375 29.951 30.300 0.043 0.000 0.856 720 R HN 0.207 nan 8.270 nan 0.000 0.437 721 L N 0.548 121.815 121.223 0.073 0.000 2.093 721 L HA -0.206 4.127 4.340 -0.012 0.000 0.208 721 L C 1.433 178.369 176.870 0.110 0.000 1.085 721 L CA 1.341 56.252 54.840 0.117 0.000 0.755 721 L CB -0.268 41.872 42.059 0.136 0.000 0.904 721 L HN 0.254 nan 8.230 nan 0.000 0.435 722 D N -0.549 119.889 120.400 0.064 0.000 2.144 722 D HA -0.200 4.433 4.640 -0.012 0.000 0.200 722 D C 2.198 178.529 176.300 0.051 0.000 0.978 722 D CA 1.067 55.098 54.000 0.052 0.000 0.833 722 D CB -0.042 40.767 40.800 0.015 0.000 0.961 722 D HN 0.436 nan 8.370 nan 0.000 0.470 723 Q N 0.160 119.985 119.800 0.043 0.000 2.084 723 Q HA -0.103 4.229 4.340 -0.012 0.000 0.202 723 Q C 2.259 178.286 176.000 0.045 0.000 0.978 723 Q CA 0.985 56.810 55.803 0.037 0.000 0.844 723 Q CB 0.000 28.756 28.738 0.030 0.000 0.898 723 Q HN 0.132 nan 8.270 nan 0.000 0.426 724 R N -0.347 120.188 120.500 0.059 0.000 2.115 724 R HA 0.005 4.337 4.340 -0.012 0.000 0.226 724 R C -0.063 176.280 176.300 0.071 0.000 1.100 724 R CA 0.829 56.966 56.100 0.062 0.000 0.980 724 R CB 0.187 30.532 30.300 0.075 0.000 0.875 724 R HN 0.303 nan 8.270 nan 0.000 0.445 725 G N -0.230 108.626 108.800 0.093 0.000 3.338 725 G HA2 -0.269 3.684 3.960 -0.012 0.000 0.686 725 G HA3 -0.269 3.684 3.960 -0.012 0.000 0.686 725 G C -1.337 173.662 174.900 0.165 0.000 1.053 725 G CA -0.422 44.743 45.100 0.108 0.000 0.852 725 G HN 0.271 nan 8.290 nan 0.000 0.545 726 Y N 3.699 124.036 120.300 0.061 0.000 2.436 726 Y HA 0.503 5.045 4.550 -0.012 0.000 0.343 726 Y C 0.591 176.552 175.900 0.103 0.000 1.008 726 Y CA -0.686 57.469 58.100 0.092 0.000 1.241 726 Y CB 0.761 39.255 38.460 0.056 0.000 1.153 726 Y HN 0.579 nan 8.280 nan 0.000 0.521 727 N N 5.205 123.718 118.700 -0.311 0.000 2.621 727 N HA 0.329 5.062 4.740 -0.012 0.000 0.237 727 N C 0.345 175.623 175.510 -0.386 0.000 0.997 727 N CA 0.219 53.087 53.050 -0.303 0.000 0.918 727 N CB 1.109 39.538 38.487 -0.098 0.000 1.122 727 N HN 0.882 nan 8.380 nan 0.000 0.510 728 A N 2.983 125.470 122.820 -0.555 0.000 1.972 728 A HA -0.227 4.086 4.320 -0.012 0.000 0.219 728 A C 2.020 179.741 177.584 0.228 0.000 1.169 728 A CA 1.315 53.247 52.037 -0.175 0.000 0.635 728 A CB -0.418 18.390 19.000 -0.319 0.000 0.810 728 A HN 0.772 nan 8.150 nan 0.000 0.446 729 Q N 0.252 120.082 119.800 0.051 0.000 2.112 729 Q HA -0.253 4.079 4.340 -0.012 0.000 0.206 729 Q C 1.898 177.983 176.000 0.141 0.000 0.987 729 Q CA 2.403 58.258 55.803 0.087 0.000 0.858 729 Q CB -0.384 28.359 28.738 0.009 0.000 0.905 729 Q HN 0.776 nan 8.270 nan 0.000 0.420 730 E N -1.437 118.786 120.200 0.038 0.000 2.097 730 E HA -0.248 4.095 4.350 -0.012 0.000 0.196 730 E C 1.620 178.149 176.600 -0.118 0.000 1.000 730 E CA 1.527 57.874 56.400 -0.088 0.000 0.804 730 E CB -0.233 29.322 29.700 -0.240 0.000 0.740 730 E HN 0.597 nan 8.360 nan 0.000 0.454 731 Y N -1.043 119.327 120.300 0.117 0.000 2.163 731 Y HA -0.219 4.324 4.550 -0.013 0.000 0.288 731 Y C 2.255 178.153 175.900 -0.003 0.000 1.136 731 Y CA 1.583 59.739 58.100 0.093 0.000 1.147 731 Y CB -0.748 37.826 38.460 0.189 0.000 0.987 731 Y HN 0.228 nan 8.280 nan 0.000 0.509 732 Y N 1.342 121.673 120.300 0.050 0.000 2.165 732 Y HA -0.289 4.254 4.550 -0.012 0.000 0.286 732 Y C 1.782 177.649 175.900 -0.055 0.000 1.155 732 Y CA 1.911 59.963 58.100 -0.080 0.000 1.164 732 Y CB -0.388 38.080 38.460 0.013 0.000 0.978 732 Y HN 0.094 nan 8.280 nan 0.000 0.513 733 D N -0.469 120.017 120.400 0.144 0.000 2.224 733 D HA -0.072 4.560 4.640 -0.012 0.000 0.205 733 D C 1.781 178.054 176.300 -0.046 0.000 0.965 733 D CA 1.141 55.172 54.000 0.052 0.000 0.852 733 D CB -0.062 40.791 40.800 0.088 0.000 0.947 733 D HN 0.486 nan 8.370 nan 0.000 0.494 734 R N -0.270 120.201 120.500 -0.048 0.000 2.365 734 R HA 0.299 4.631 4.340 -0.012 0.000 0.223 734 R C 0.292 176.568 176.300 -0.041 0.000 0.899 734 R CA 0.047 56.119 56.100 -0.046 0.000 1.059 734 R CB 1.238 31.508 30.300 -0.050 0.000 1.086 734 R HN 0.128 nan 8.270 nan 0.000 0.522 735 I N 2.148 122.675 120.570 -0.071 0.000 2.464 735 I HA 0.237 4.400 4.170 -0.012 0.000 0.277 735 I C -1.984 174.039 176.117 -0.156 0.000 1.040 735 I CA -2.336 58.927 61.300 -0.062 0.000 1.153 735 I CB 2.094 40.096 38.000 0.004 0.000 1.274 735 I HN -0.298 nan 8.210 nan 0.000 0.469 736 P HA -0.158 nan 4.420 nan 0.000 0.215 736 P C 1.214 178.419 177.300 -0.159 0.000 1.153 736 P CA 1.360 64.368 63.100 -0.154 0.000 0.853 736 P CB 0.320 31.963 31.700 -0.095 0.000 0.788 737 E N -0.996 119.148 120.200 -0.094 0.000 2.110 737 E HA -0.170 4.172 4.350 -0.012 0.000 0.193 737 E C 1.859 178.362 176.600 -0.161 0.000 0.988 737 E CA 0.708 57.067 56.400 -0.067 0.000 0.804 737 E CB -0.585 29.144 29.700 0.049 0.000 0.745 737 E HN 0.112 nan 8.360 nan 0.000 0.458 738 L N 1.215 122.256 121.223 -0.304 0.000 2.056 738 L HA -0.134 4.199 4.340 -0.012 0.000 0.207 738 L C 2.362 178.961 176.870 -0.453 0.000 1.078 738 L CA 1.613 56.107 54.840 -0.577 0.000 0.749 738 L CB -0.311 41.253 42.059 -0.825 0.000 0.901 738 L HN -0.082 nan 8.230 nan 0.000 0.433 739 R N -0.776 119.432 120.500 -0.486 0.000 2.083 739 R HA -0.263 4.070 4.340 -0.012 0.000 0.237 739 R C 2.399 178.533 176.300 -0.277 0.000 1.137 739 R CA 2.116 57.850 56.100 -0.610 0.000 0.951 739 R CB -0.399 29.463 30.300 -0.730 0.000 0.851 739 R HN 0.621 nan 8.270 nan 0.000 0.434 740 Q N 0.445 120.118 119.800 -0.212 0.000 2.061 740 Q HA -0.204 4.128 4.340 -0.012 0.000 0.204 740 Q C 2.095 178.044 176.000 -0.084 0.000 0.984 740 Q CA 2.235 57.959 55.803 -0.132 0.000 0.846 740 Q CB -0.172 28.489 28.738 -0.128 0.000 0.902 740 Q HN 0.497 nan 8.270 nan 0.000 0.421 741 I N 0.601 121.119 120.570 -0.086 0.000 2.163 741 I HA -0.295 3.867 4.170 -0.012 0.000 0.243 741 I C 2.140 178.281 176.117 0.040 0.000 1.085 741 I CA 0.724 62.014 61.300 -0.017 0.000 1.347 741 I CB -0.339 37.621 38.000 -0.067 0.000 1.044 741 I HN 0.330 nan 8.210 nan 0.000 0.408 742 I N 0.766 121.354 120.570 0.029 0.000 2.286 742 I HA -0.240 3.922 4.170 -0.012 0.000 0.248 742 I C 2.455 178.670 176.117 0.163 0.000 1.115 742 I CA 1.637 63.022 61.300 0.141 0.000 1.392 742 I CB -1.300 36.866 38.000 0.277 0.000 1.065 742 I HN 0.344 nan 8.210 nan 0.000 0.418 743 E N 0.320 120.596 120.200 0.127 0.000 2.072 743 E HA -0.230 4.113 4.350 -0.012 0.000 0.191 743 E C 2.187 178.851 176.600 0.107 0.000 0.985 743 E CA 0.942 57.410 56.400 0.112 0.000 0.801 743 E CB -0.105 29.630 29.700 0.059 0.000 0.750 743 E HN 0.568 nan 8.360 nan 0.000 0.452 744 Q N 0.413 120.262 119.800 0.082 0.000 2.084 744 Q HA -0.139 4.194 4.340 -0.012 0.000 0.202 744 Q C 2.343 178.532 176.000 0.315 0.000 0.978 744 Q CA 0.995 56.867 55.803 0.116 0.000 0.844 744 Q CB -0.040 28.705 28.738 0.012 0.000 0.898 744 Q HN 0.303 nan 8.270 nan 0.000 0.426 745 L N -0.093 121.319 121.223 0.315 0.000 2.017 745 L HA -0.194 4.139 4.340 -0.012 0.000 0.208 745 L C 2.447 179.500 176.870 0.305 0.000 1.073 745 L CA 1.032 56.070 54.840 0.329 0.000 0.745 745 L CB -0.383 41.779 42.059 0.173 0.000 0.894 745 L HN 0.154 nan 8.230 nan 0.000 0.432 746 S N -0.297 115.537 115.700 0.223 0.000 2.368 746 S HA -0.157 4.306 4.470 -0.012 0.000 0.225 746 S C 2.070 176.772 174.600 0.171 0.000 1.030 746 S CA 1.568 59.879 58.200 0.184 0.000 0.999 746 S CB -0.225 63.062 63.200 0.145 0.000 0.844 746 S HN 0.608 nan 8.310 nan 0.000 0.459 747 S N 0.303 116.105 115.700 0.171 0.000 2.527 747 S HA 0.328 4.790 4.470 -0.012 0.000 0.222 747 S C 1.415 176.106 174.600 0.151 0.000 0.985 747 S CA 0.722 59.007 58.200 0.142 0.000 0.921 747 S CB 0.010 63.285 63.200 0.124 0.000 0.772 747 S HN 0.821 nan 8.310 nan 0.000 0.529 748 G N 0.534 109.457 108.800 0.205 0.000 2.134 748 G HA2 -0.275 3.678 3.960 -0.012 0.000 0.209 748 G HA3 -0.275 3.678 3.960 -0.012 0.000 0.209 748 G C 0.196 175.189 174.900 0.155 0.000 0.993 748 G CA 0.089 45.299 45.100 0.183 0.000 0.669 748 G HN 0.507 nan 8.290 nan 0.000 0.519 749 F N 0.303 120.254 119.950 0.003 0.000 2.161 749 F HA 0.115 4.635 4.527 -0.013 0.000 0.300 749 F C 1.931 177.530 175.800 -0.336 0.000 1.089 749 F CA 2.193 60.064 58.000 -0.214 0.000 1.282 749 F CB -0.055 38.725 39.000 -0.366 0.000 1.010 749 F HN 0.185 nan 8.300 nan 0.000 0.485 750 F N -0.434 119.633 119.950 0.195 0.000 2.727 750 F HA 0.189 4.709 4.527 -0.013 0.000 0.302 750 F C 0.680 176.583 175.800 0.171 0.000 1.097 750 F CA 0.261 58.335 58.000 0.123 0.000 1.330 750 F CB -0.104 38.984 39.000 0.147 0.000 1.084 750 F HN -0.052 nan 8.300 nan 0.000 0.578 751 S N -1.752 114.095 115.700 0.245 0.000 2.440 751 S HA 0.319 4.781 4.470 -0.012 0.000 0.142 751 S C -2.443 172.174 174.600 0.029 0.000 1.578 751 S CA -1.054 57.212 58.200 0.110 0.000 1.260 751 S CB 0.937 64.155 63.200 0.030 0.000 1.407 751 S HN -0.185 nan 8.310 nan 0.000 0.392 752 P HA -0.070 nan 4.420 nan 0.000 0.216 752 P C 0.976 178.265 177.300 -0.018 0.000 1.150 752 P CA 1.263 64.340 63.100 -0.038 0.000 0.837 752 P CB 0.092 31.744 31.700 -0.080 0.000 0.786 753 K N -1.352 119.037 120.400 -0.017 0.000 2.361 753 K HA 0.061 4.373 4.320 -0.012 0.000 0.196 753 K C 0.580 177.176 176.600 -0.007 0.000 1.039 753 K CA 0.574 56.855 56.287 -0.011 0.000 1.001 753 K CB 0.161 32.654 32.500 -0.011 0.000 0.795 753 K HN 0.257 nan 8.250 nan 0.000 0.495 754 Q N -0.088 119.705 119.800 -0.011 0.000 3.064 754 Q HA 0.156 4.488 4.340 -0.012 0.000 0.258 754 Q C -2.370 173.620 176.000 -0.017 0.000 0.972 754 Q CA -1.631 54.161 55.803 -0.018 0.000 0.761 754 Q CB 1.486 30.204 28.738 -0.032 0.000 1.281 754 Q HN -0.086 nan 8.270 nan 0.000 0.455 755 P HA -0.207 nan 4.420 nan 0.000 0.219 755 P C 0.564 177.898 177.300 0.057 0.000 1.146 755 P CA 1.372 64.498 63.100 0.044 0.000 0.808 755 P CB 0.219 31.946 31.700 0.044 0.000 0.779 756 D N -1.374 119.044 120.400 0.029 0.000 2.368 756 D HA 0.002 4.634 4.640 -0.012 0.000 0.218 756 D C 1.590 177.890 176.300 -0.001 0.000 1.112 756 D CA -0.260 53.765 54.000 0.041 0.000 0.834 756 D CB -0.666 40.158 40.800 0.041 0.000 0.953 756 D HN 0.032 nan 8.370 nan 0.000 0.505 757 L N -0.092 121.064 121.223 -0.111 0.000 2.043 757 L HA -0.071 4.262 4.340 -0.012 0.000 0.212 757 L C 1.247 177.923 176.870 -0.323 0.000 1.075 757 L CA 1.680 56.338 54.840 -0.303 0.000 0.752 757 L CB -0.561 41.122 42.059 -0.626 0.000 0.891 757 L HN -0.017 nan 8.230 nan 0.000 0.432 758 F N -0.755 119.249 119.950 0.090 0.000 2.645 758 F HA 0.117 4.637 4.527 -0.012 0.000 0.300 758 F C 1.831 177.677 175.800 0.078 0.000 1.115 758 F CA -0.167 57.874 58.000 0.068 0.000 1.355 758 F CB -0.270 38.759 39.000 0.050 0.000 1.026 758 F HN 0.109 nan 8.300 nan 0.000 0.536 759 K N -0.458 120.060 120.400 0.195 0.000 2.147 759 K HA -0.171 4.142 4.320 -0.012 0.000 0.205 759 K C 1.016 177.712 176.600 0.161 0.000 1.049 759 K CA 1.852 58.235 56.287 0.160 0.000 0.936 759 K CB -0.251 32.321 32.500 0.120 0.000 0.722 759 K HN 0.048 nan 8.250 nan 0.000 0.446 760 D N 1.337 121.846 120.400 0.182 0.000 2.117 760 D HA -0.100 4.532 4.640 -0.012 0.000 0.197 760 D C 2.010 178.402 176.300 0.152 0.000 0.987 760 D CA 1.174 55.292 54.000 0.196 0.000 0.829 760 D CB -0.137 40.824 40.800 0.268 0.000 0.961 760 D HN 0.290 nan 8.370 nan 0.000 0.460 761 I N 0.411 121.072 120.570 0.152 0.000 2.202 761 I HA -0.221 3.942 4.170 -0.012 0.000 0.242 761 I C 2.437 178.578 176.117 0.040 0.000 1.091 761 I CA 0.598 61.949 61.300 0.085 0.000 1.368 761 I CB -0.229 37.822 38.000 0.084 0.000 1.058 761 I HN -0.112 nan 8.210 nan 0.000 0.410 762 V N 1.215 121.179 119.914 0.082 0.000 2.287 762 V HA -0.319 3.794 4.120 -0.012 0.000 0.248 762 V C 2.253 178.335 176.094 -0.020 0.000 1.053 762 V CA 2.448 64.782 62.300 0.057 0.000 1.027 762 V CB -0.993 30.892 31.823 0.103 0.000 0.646 762 V HN 0.481 nan 8.190 nan 0.000 0.447 763 N N -0.168 118.550 118.700 0.029 0.000 2.069 763 N HA -0.217 4.515 4.740 -0.012 0.000 0.191 763 N C 1.856 177.265 175.510 -0.168 0.000 1.031 763 N CA 1.896 54.978 53.050 0.053 0.000 0.852 763 N CB -0.310 38.284 38.487 0.178 0.000 1.018 763 N HN 0.325 nan 8.380 nan 0.000 0.423 764 M N -0.177 119.250 119.600 -0.288 0.000 2.080 764 M HA -0.124 4.348 4.480 -0.012 0.000 0.260 764 M C 1.455 177.475 176.300 -0.467 0.000 1.068 764 M CA 1.349 56.240 55.300 -0.682 0.000 1.109 764 M CB -0.692 31.744 32.600 -0.273 0.000 1.342 764 M HN 0.214 nan 8.290 nan 0.000 0.405 765 L N 0.583 121.614 121.223 -0.320 0.000 2.042 765 L HA -0.213 4.119 4.340 -0.012 0.000 0.210 765 L C 2.460 178.971 176.870 -0.599 0.000 1.076 765 L CA 1.653 56.221 54.840 -0.453 0.000 0.749 765 L CB -1.140 40.715 42.059 -0.339 0.000 0.893 765 L HN 0.349 nan 8.230 nan 0.000 0.432 766 M N -1.899 117.419 119.600 -0.471 0.000 2.236 766 M HA -0.068 4.404 4.480 -0.012 0.000 0.266 766 M C 1.830 177.727 176.300 -0.671 0.000 1.070 766 M CA 1.446 56.388 55.300 -0.596 0.000 1.137 766 M CB -0.783 31.358 32.600 -0.764 0.000 1.378 766 M HN 0.338 nan 8.290 nan 0.000 0.426 767 H N -2.077 116.905 119.070 -0.148 0.000 3.091 767 H HA 0.190 4.738 4.556 -0.012 0.000 0.249 767 H C 0.103 175.459 175.328 0.047 0.000 0.985 767 H CA 0.597 56.622 56.048 -0.037 0.000 1.177 767 H CB 0.232 30.022 29.762 0.047 0.000 1.456 767 H HN 0.567 nan 8.280 nan 0.000 0.467 768 H N -1.327 117.794 119.070 0.084 0.000 2.823 768 H HA 0.294 4.843 4.556 -0.012 0.000 0.222 768 H C -1.256 174.094 175.328 0.036 0.000 1.414 768 H CA -0.640 55.449 56.048 0.067 0.000 1.289 768 H CB -0.041 29.764 29.762 0.072 0.000 1.970 768 H HN -0.138 nan 8.280 nan 0.000 0.517 769 D N 1.455 121.859 120.400 0.008 0.000 2.441 769 D HA 0.143 4.775 4.640 -0.012 0.000 0.221 769 D C 0.876 177.116 176.300 -0.101 0.000 1.156 769 D CA -0.488 53.497 54.000 -0.025 0.000 0.896 769 D CB 0.714 41.481 40.800 -0.055 0.000 1.028 769 D HN 0.506 nan 8.370 nan 0.000 0.509 770 R N 2.188 122.532 120.500 -0.261 0.000 2.241 770 R HA -0.076 4.256 4.340 -0.012 0.000 0.224 770 R C 0.552 176.331 176.300 -0.868 0.000 1.101 770 R CA 0.967 56.683 56.100 -0.640 0.000 0.995 770 R CB 0.044 29.743 30.300 -1.000 0.000 0.870 770 R HN 0.406 nan 8.270 nan 0.000 0.463 771 F N 0.166 120.069 119.950 -0.078 0.000 2.683 771 F HA 0.283 4.802 4.527 -0.012 0.000 0.306 771 F C 0.026 175.700 175.800 -0.209 0.000 1.102 771 F CA -0.752 57.189 58.000 -0.099 0.000 1.244 771 F CB 0.241 39.243 39.000 0.003 0.000 1.029 771 F HN -0.250 nan 8.300 nan 0.000 0.545 772 K N -0.334 119.867 120.400 -0.332 0.000 3.148 772 K HA -0.179 4.133 4.320 -0.012 0.000 0.267 772 K C 0.995 177.478 176.600 -0.196 0.000 0.996 772 K CA 0.222 56.130 56.287 -0.632 0.000 0.737 772 K CB -1.857 30.210 32.500 -0.721 0.000 1.308 772 K HN 0.224 nan 8.250 nan 0.000 0.470 773 V N -0.071 119.809 119.914 -0.057 0.000 2.287 773 V HA -0.282 3.830 4.120 -0.012 0.000 0.248 773 V C 1.947 178.189 176.094 0.246 0.000 1.053 773 V CA 2.285 64.632 62.300 0.078 0.000 1.027 773 V CB -0.503 31.367 31.823 0.078 0.000 0.646 773 V HN 0.484 nan 8.190 nan 0.000 0.447 774 F N 0.156 120.110 119.950 0.006 0.000 2.216 774 F HA -0.157 4.362 4.527 -0.013 0.000 0.300 774 F C 2.494 178.087 175.800 -0.346 0.000 1.085 774 F CA 0.613 58.561 58.000 -0.087 0.000 1.326 774 F CB -0.323 38.639 39.000 -0.063 0.000 1.027 774 F HN 0.202 nan 8.300 nan 0.000 0.497 775 A N -0.558 122.100 122.820 -0.271 0.000 2.015 775 A HA -0.166 4.146 4.320 -0.012 0.000 0.219 775 A C 1.447 179.024 177.584 -0.012 0.000 1.163 775 A CA 1.636 53.417 52.037 -0.426 0.000 0.646 775 A CB -0.410 18.488 19.000 -0.170 0.000 0.806 775 A HN 0.201 nan 8.150 nan 0.000 0.448 776 D N -2.609 117.844 120.400 0.089 0.000 2.369 776 D HA 0.078 4.710 4.640 -0.012 0.000 0.211 776 D C 1.168 177.626 176.300 0.263 0.000 1.077 776 D CA 0.017 54.146 54.000 0.215 0.000 0.842 776 D CB -0.110 40.839 40.800 0.247 0.000 0.947 776 D HN 0.596 nan 8.370 nan 0.000 0.509 777 Y N 2.049 122.426 120.300 0.129 0.000 2.097 777 Y HA -0.204 4.339 4.550 -0.012 0.000 0.282 777 Y C 2.088 178.065 175.900 0.128 0.000 1.152 777 Y CA 1.845 60.028 58.100 0.139 0.000 1.136 777 Y CB 0.142 38.654 38.460 0.086 0.000 0.975 777 Y HN -0.118 nan 8.280 nan 0.000 0.498 778 E N 0.035 120.293 120.200 0.097 0.000 2.038 778 E HA -0.260 4.083 4.350 -0.012 0.000 0.195 778 E C 2.189 178.751 176.600 -0.063 0.000 1.000 778 E CA 1.674 58.063 56.400 -0.019 0.000 0.803 778 E CB -0.196 29.596 29.700 0.153 0.000 0.750 778 E HN 0.635 nan 8.360 nan 0.000 0.448 779 E N -0.259 119.979 120.200 0.065 0.000 2.110 779 E HA -0.203 4.140 4.350 -0.012 0.000 0.193 779 E C 1.934 178.514 176.600 -0.032 0.000 0.988 779 E CA 0.755 57.213 56.400 0.098 0.000 0.804 779 E CB -0.131 29.720 29.700 0.252 0.000 0.745 779 E HN 0.262 nan 8.360 nan 0.000 0.458 780 Y N 1.255 121.346 120.300 -0.347 0.000 2.114 780 Y HA -0.238 4.305 4.550 -0.013 0.000 0.284 780 Y C 2.154 177.656 175.900 -0.663 0.000 1.143 780 Y CA 1.056 58.633 58.100 -0.871 0.000 1.135 780 Y CB -0.573 37.425 38.460 -0.769 0.000 0.980 780 Y HN -0.201 nan 8.280 nan 0.000 0.499 781 V N 0.474 120.021 119.914 -0.611 0.000 2.332 781 V HA -0.332 3.780 4.120 -0.012 0.000 0.248 781 V C 2.346 178.205 176.094 -0.392 0.000 1.055 781 V CA 2.401 64.359 62.300 -0.569 0.000 1.038 781 V CB -0.635 30.880 31.823 -0.514 0.000 0.651 781 V HN 0.280 nan 8.190 nan 0.000 0.450 782 K N -0.909 119.330 120.400 -0.268 0.000 2.026 782 K HA -0.207 4.106 4.320 -0.012 0.000 0.208 782 K C 2.298 178.807 176.600 -0.153 0.000 1.048 782 K CA 1.790 57.986 56.287 -0.153 0.000 0.929 782 K CB -0.659 31.800 32.500 -0.068 0.000 0.713 782 K HN 0.545 nan 8.250 nan 0.000 0.439 783 C N 1.196 120.384 119.300 -0.187 0.000 2.413 783 C HA -0.119 4.334 4.460 -0.012 0.000 0.276 783 C C 2.567 177.379 174.990 -0.297 0.000 1.248 783 C CA 0.878 59.814 59.018 -0.137 0.000 1.742 783 C CB -0.684 27.001 27.740 -0.091 0.000 2.017 783 C HN 0.457 nan 8.230 nan 0.000 0.481 784 Q N 0.389 119.868 119.800 -0.535 0.000 2.170 784 Q HA -0.175 4.158 4.340 -0.012 0.000 0.203 784 Q C 1.992 177.790 176.000 -0.336 0.000 0.976 784 Q CA 1.622 57.064 55.803 -0.602 0.000 0.858 784 Q CB -0.413 27.708 28.738 -1.030 0.000 0.907 784 Q HN 0.763 nan 8.270 nan 0.000 0.433 785 E N 0.161 120.223 120.200 -0.229 0.000 2.106 785 E HA -0.131 4.212 4.350 -0.012 0.000 0.192 785 E C 2.066 178.624 176.600 -0.070 0.000 0.984 785 E CA 0.551 56.881 56.400 -0.116 0.000 0.806 785 E CB 0.001 29.654 29.700 -0.080 0.000 0.750 785 E HN 0.273 nan 8.360 nan 0.000 0.458 786 R N 0.435 120.901 120.500 -0.056 0.000 2.115 786 R HA -0.064 4.269 4.340 -0.012 0.000 0.230 786 R C 2.419 178.735 176.300 0.027 0.000 1.111 786 R CA 0.753 56.891 56.100 0.063 0.000 0.976 786 R CB -0.267 30.145 30.300 0.186 0.000 0.870 786 R HN 0.054 nan 8.270 nan 0.000 0.445 787 V N 0.712 120.424 119.914 -0.336 0.000 2.261 787 V HA -0.261 3.851 4.120 -0.012 0.000 0.246 787 V C 2.213 178.288 176.094 -0.031 0.000 1.047 787 V CA 2.032 64.029 62.300 -0.505 0.000 1.015 787 V CB -0.427 30.984 31.823 -0.686 0.000 0.642 787 V HN 0.283 nan 8.190 nan 0.000 0.446 788 S N 0.048 115.700 115.700 -0.080 0.000 2.370 788 S HA -0.201 4.262 4.470 -0.012 0.000 0.226 788 S C 2.226 176.884 174.600 0.096 0.000 1.033 788 S CA 1.450 59.640 58.200 -0.017 0.000 1.011 788 S CB -0.566 62.599 63.200 -0.059 0.000 0.852 788 S HN 0.659 nan 8.310 nan 0.000 0.457 789 A N 1.430 124.310 122.820 0.100 0.000 1.883 789 A HA -0.068 4.245 4.320 -0.012 0.000 0.217 789 A C 2.116 179.820 177.584 0.200 0.000 1.186 789 A CA 1.273 53.392 52.037 0.136 0.000 0.624 789 A CB -0.780 18.290 19.000 0.117 0.000 0.822 789 A HN 0.467 nan 8.150 nan 0.000 0.444 790 L N -2.183 119.222 121.223 0.303 0.000 2.093 790 L HA -0.150 4.183 4.340 -0.012 0.000 0.208 790 L C 2.479 179.631 176.870 0.471 0.000 1.085 790 L CA 1.782 56.877 54.840 0.426 0.000 0.755 790 L CB -0.398 42.036 42.059 0.625 0.000 0.904 790 L HN 0.608 nan 8.230 nan 0.000 0.435 791 Y N 0.959 121.395 120.300 0.227 0.000 2.352 791 Y HA -0.241 4.302 4.550 -0.011 0.000 0.292 791 Y C 2.424 178.261 175.900 -0.104 0.000 1.136 791 Y CA 1.494 59.473 58.100 -0.201 0.000 1.227 791 Y CB -0.033 38.075 38.460 -0.587 0.000 0.991 791 Y HN 0.065 nan 8.280 nan 0.000 0.545 792 K N -0.156 120.298 120.400 0.091 0.000 2.360 792 K HA -0.173 4.139 4.320 -0.012 0.000 0.201 792 K C 0.374 176.964 176.600 -0.017 0.000 1.046 792 K CA 0.974 57.291 56.287 0.051 0.000 0.940 792 K CB -0.163 32.401 32.500 0.108 0.000 0.748 792 K HN 0.078 nan 8.250 nan 0.000 0.465 793 N N 0.336 119.041 118.700 0.009 0.000 2.800 793 N HA 0.131 4.863 4.740 -0.012 0.000 0.240 793 N C -2.432 173.083 175.510 0.009 0.000 1.096 793 N CA -2.299 50.760 53.050 0.015 0.000 0.877 793 N CB 1.250 39.776 38.487 0.064 0.000 1.138 793 N HN -0.203 nan 8.380 nan 0.000 0.509 794 P HA -0.133 nan 4.420 nan 0.000 0.216 794 P C 1.387 178.699 177.300 0.021 0.000 1.150 794 P CA 0.942 63.971 63.100 -0.119 0.000 0.837 794 P CB 0.450 32.044 31.700 -0.177 0.000 0.786 795 R N 0.225 120.735 120.500 0.017 0.000 2.073 795 R HA -0.158 4.174 4.340 -0.012 0.000 0.234 795 R C 1.960 178.301 176.300 0.068 0.000 1.134 795 R CA 1.469 57.590 56.100 0.034 0.000 0.952 795 R CB -0.375 29.937 30.300 0.020 0.000 0.850 795 R HN 0.067 nan 8.270 nan 0.000 0.433 796 E N -0.054 120.197 120.200 0.085 0.000 2.107 796 E HA -0.215 4.127 4.350 -0.012 0.000 0.191 796 E C 1.595 178.272 176.600 0.128 0.000 0.982 796 E CA 0.622 57.077 56.400 0.091 0.000 0.809 796 E CB -0.471 29.282 29.700 0.088 0.000 0.756 796 E HN 0.510 nan 8.360 nan 0.000 0.459 797 W N 2.204 123.504 121.300 -0.001 0.000 2.317 797 W HA -0.225 4.427 4.660 -0.014 0.000 0.318 797 W C 1.680 178.206 176.519 0.011 0.000 1.227 797 W CA 2.300 59.658 57.345 0.022 0.000 1.269 797 W CB -0.466 28.973 29.460 -0.035 0.000 1.155 797 W HN 0.049 nan 8.180 nan 0.000 0.484 798 T N 1.087 115.772 114.554 0.219 0.000 2.788 798 T HA -0.174 4.169 4.350 -0.012 0.000 0.268 798 T C 1.837 176.542 174.700 0.008 0.000 1.044 798 T CA 1.772 63.932 62.100 0.099 0.000 1.139 798 T CB -0.321 68.591 68.868 0.074 0.000 0.867 798 T HN 0.181 nan 8.240 nan 0.000 0.454 799 R N 0.496 121.008 120.500 0.020 0.000 2.081 799 R HA 0.072 4.404 4.340 -0.012 0.000 0.235 799 R C 2.531 178.820 176.300 -0.019 0.000 1.131 799 R CA 1.278 57.389 56.100 0.018 0.000 0.960 799 R CB -0.363 29.955 30.300 0.030 0.000 0.856 799 R HN 0.355 nan 8.270 nan 0.000 0.436 800 M N 0.527 120.081 119.600 -0.076 0.000 2.159 800 M HA -0.157 4.316 4.480 -0.012 0.000 0.263 800 M C 1.973 178.181 176.300 -0.154 0.000 1.063 800 M CA 1.439 56.656 55.300 -0.137 0.000 1.110 800 M CB 0.117 32.581 32.600 -0.228 0.000 1.374 800 M HN 0.005 nan 8.290 nan 0.000 0.411 801 V N 0.978 120.776 119.914 -0.193 0.000 2.255 801 V HA -0.329 3.784 4.120 -0.012 0.000 0.247 801 V C 2.206 178.279 176.094 -0.034 0.000 1.051 801 V CA 2.169 64.390 62.300 -0.133 0.000 1.018 801 V CB -0.639 31.127 31.823 -0.097 0.000 0.641 801 V HN 0.509 nan 8.190 nan 0.000 0.445 802 I N -0.643 119.927 120.570 -0.000 0.000 2.264 802 I HA -0.276 3.886 4.170 -0.012 0.000 0.248 802 I C 2.690 178.854 176.117 0.079 0.000 1.111 802 I CA 1.633 62.982 61.300 0.081 0.000 1.382 802 I CB -0.433 37.666 38.000 0.166 0.000 1.060 802 I HN 0.195 nan 8.210 nan 0.000 0.418 803 R N 0.392 120.915 120.500 0.039 0.000 2.148 803 R HA -0.107 4.225 4.340 -0.012 0.000 0.227 803 R C 2.033 178.360 176.300 0.045 0.000 1.103 803 R CA 1.128 57.249 56.100 0.036 0.000 0.983 803 R CB -0.360 29.945 30.300 0.008 0.000 0.874 803 R HN 0.541 nan 8.270 nan 0.000 0.451 804 N N 0.538 119.258 118.700 0.033 0.000 2.109 804 N HA -0.083 4.649 4.740 -0.012 0.000 0.188 804 N C 1.954 177.517 175.510 0.089 0.000 1.034 804 N CA 1.071 54.161 53.050 0.066 0.000 0.846 804 N CB -0.032 38.474 38.487 0.031 0.000 1.010 804 N HN 0.112 nan 8.380 nan 0.000 0.425 805 I N 1.715 122.328 120.570 0.072 0.000 2.151 805 I HA -0.265 3.898 4.170 -0.012 0.000 0.243 805 I C 2.484 178.650 176.117 0.081 0.000 1.080 805 I CA 1.050 62.398 61.300 0.081 0.000 1.339 805 I CB -0.364 37.678 38.000 0.071 0.000 1.039 805 I HN 0.104 nan 8.210 nan 0.000 0.409 806 A N 0.306 123.173 122.820 0.078 0.000 2.019 806 A HA -0.174 4.139 4.320 -0.012 0.000 0.219 806 A C 2.118 179.737 177.584 0.059 0.000 1.164 806 A CA 2.110 54.184 52.037 0.061 0.000 0.644 806 A CB -0.883 18.157 19.000 0.066 0.000 0.805 806 A HN 0.553 nan 8.150 nan 0.000 0.449 807 T N -2.867 111.736 114.554 0.081 0.000 3.134 807 T HA 0.168 4.510 4.350 -0.012 0.000 0.260 807 T C 1.239 176.030 174.700 0.150 0.000 1.027 807 T CA 0.675 62.828 62.100 0.088 0.000 0.913 807 T CB -0.187 68.732 68.868 0.084 0.000 1.046 807 T HN 0.498 nan 8.240 nan 0.000 0.553 808 S N 0.320 116.125 115.700 0.175 0.000 2.562 808 S HA 0.200 4.662 4.470 -0.012 0.000 0.221 808 S C 2.227 176.959 174.600 0.221 0.000 0.975 808 S CA 0.356 58.731 58.200 0.292 0.000 0.918 808 S CB -0.774 62.566 63.200 0.233 0.000 0.772 808 S HN 0.539 nan 8.310 nan 0.000 0.531 809 G N 2.659 111.510 108.800 0.084 0.000 2.469 809 G HA2 -0.302 3.650 3.960 -0.012 0.000 0.219 809 G HA3 -0.302 3.650 3.960 -0.012 0.000 0.219 809 G C 1.322 176.173 174.900 -0.081 0.000 1.150 809 G CA 1.066 46.180 45.100 0.024 0.000 0.763 809 G HN 0.620 nan 8.290 nan 0.000 0.561 810 K N -0.149 120.083 120.400 -0.279 0.000 2.218 810 K HA -0.070 4.243 4.320 -0.012 0.000 0.205 810 K C 1.389 177.658 176.600 -0.551 0.000 1.046 810 K CA 0.960 56.934 56.287 -0.522 0.000 0.933 810 K CB -0.292 31.705 32.500 -0.839 0.000 0.728 810 K HN 0.421 nan 8.250 nan 0.000 0.454 811 F N 0.789 120.771 119.950 0.052 0.000 2.692 811 F HA 0.141 4.660 4.527 -0.013 0.000 0.303 811 F C 0.825 176.674 175.800 0.081 0.000 1.114 811 F CA -0.585 57.453 58.000 0.064 0.000 1.361 811 F CB 0.406 39.440 39.000 0.057 0.000 1.063 811 F HN -0.123 nan 8.300 nan 0.000 0.550 812 S N 0.459 116.246 115.700 0.144 0.000 2.531 812 S HA 0.030 4.493 4.470 -0.012 0.000 0.279 812 S C 1.496 176.180 174.600 0.141 0.000 1.305 812 S CA -0.096 58.184 58.200 0.133 0.000 1.058 812 S CB 0.700 63.946 63.200 0.078 0.000 0.899 812 S HN 0.382 nan 8.310 nan 0.000 0.493 813 S N 3.425 119.236 115.700 0.185 0.000 2.474 813 S HA -0.097 4.365 4.470 -0.012 0.000 0.235 813 S C 1.004 175.659 174.600 0.093 0.000 0.997 813 S CA 0.847 59.178 58.200 0.217 0.000 0.949 813 S CB -0.368 63.042 63.200 0.349 0.000 0.766 813 S HN 0.794 nan 8.310 nan 0.000 0.517 814 D N 1.919 122.359 120.400 0.066 0.000 2.117 814 D HA -0.099 4.533 4.640 -0.012 0.000 0.197 814 D C 2.092 178.397 176.300 0.008 0.000 0.987 814 D CA 0.875 54.890 54.000 0.026 0.000 0.829 814 D CB -0.347 40.465 40.800 0.021 0.000 0.961 814 D HN 0.301 nan 8.370 nan 0.000 0.460 815 R N 0.779 121.286 120.500 0.011 0.000 2.066 815 R HA -0.080 4.252 4.340 -0.012 0.000 0.232 815 R C 1.890 178.180 176.300 -0.016 0.000 1.131 815 R CA 1.372 57.463 56.100 -0.014 0.000 0.955 815 R CB -0.789 29.489 30.300 -0.037 0.000 0.851 815 R HN 0.128 nan 8.270 nan 0.000 0.432 816 T N 2.209 116.776 114.554 0.022 0.000 2.652 816 T HA -0.124 4.218 4.350 -0.012 0.000 0.267 816 T C 1.923 176.622 174.700 -0.003 0.000 1.039 816 T CA 1.400 63.528 62.100 0.047 0.000 1.153 816 T CB -0.120 68.856 68.868 0.180 0.000 0.863 816 T HN 0.101 nan 8.240 nan 0.000 0.428 817 I N 1.637 122.133 120.570 -0.123 0.000 2.315 817 I HA -0.074 4.089 4.170 -0.012 0.000 0.248 817 I C 2.920 178.999 176.117 -0.063 0.000 1.117 817 I CA 0.920 62.118 61.300 -0.170 0.000 1.404 817 I CB -1.622 36.276 38.000 -0.170 0.000 1.071 817 I HN 0.194 nan 8.210 nan 0.000 0.419 818 A N 0.167 122.965 122.820 -0.037 0.000 1.978 818 A HA -0.236 4.077 4.320 -0.012 0.000 0.220 818 A C 2.246 179.788 177.584 -0.070 0.000 1.170 818 A CA 1.446 53.467 52.037 -0.026 0.000 0.636 818 A CB -0.516 18.474 19.000 -0.017 0.000 0.810 818 A HN 0.522 nan 8.150 nan 0.000 0.448 819 Q N -1.864 117.873 119.800 -0.105 0.000 2.083 819 Q HA -0.146 4.187 4.340 -0.012 0.000 0.198 819 Q C 1.928 177.750 176.000 -0.296 0.000 0.969 819 Q CA 1.533 57.231 55.803 -0.174 0.000 0.838 819 Q CB -0.316 28.310 28.738 -0.187 0.000 0.900 819 Q HN 0.811 nan 8.270 nan 0.000 0.436 820 Y N 0.757 120.764 120.300 -0.488 0.000 2.114 820 Y HA -0.315 4.228 4.550 -0.013 0.000 0.282 820 Y C 2.489 177.809 175.900 -0.967 0.000 1.165 820 Y CA 1.358 58.907 58.100 -0.919 0.000 1.148 820 Y CB -0.444 37.134 38.460 -1.470 0.000 0.972 820 Y HN 0.172 nan 8.280 nan 0.000 0.504 821 A N 0.163 122.755 122.820 -0.380 0.000 1.877 821 A HA -0.210 4.103 4.320 -0.012 0.000 0.216 821 A C 2.236 179.836 177.584 0.028 0.000 1.186 821 A CA 1.979 54.044 52.037 0.046 0.000 0.620 821 A CB -0.526 18.580 19.000 0.176 0.000 0.822 821 A HN 0.430 nan 8.150 nan 0.000 0.443 822 R N -0.705 119.769 120.500 -0.043 0.000 2.093 822 R HA -0.008 4.324 4.340 -0.012 0.000 0.224 822 R C 1.772 178.048 176.300 -0.040 0.000 1.101 822 R CA 1.423 57.510 56.100 -0.022 0.000 0.979 822 R CB -0.146 30.136 30.300 -0.029 0.000 0.877 822 R HN 0.651 nan 8.270 nan 0.000 0.441 823 E N -0.486 119.649 120.200 -0.108 0.000 2.415 823 E HA 0.098 4.441 4.350 -0.012 0.000 0.197 823 E C 1.376 177.928 176.600 -0.080 0.000 1.007 823 E CA 0.418 56.760 56.400 -0.096 0.000 0.890 823 E CB 0.566 30.183 29.700 -0.138 0.000 0.891 823 E HN 0.295 nan 8.360 nan 0.000 0.496 824 I N -1.107 119.382 120.570 -0.136 0.000 3.739 824 I HA 0.024 4.187 4.170 -0.012 0.000 0.272 824 I C 1.324 177.579 176.117 0.230 0.000 1.167 824 I CA -0.076 61.209 61.300 -0.026 0.000 1.386 824 I CB 0.231 38.075 38.000 -0.259 0.000 1.490 824 I HN 0.108 nan 8.210 nan 0.000 0.452 825 W N 1.555 122.951 121.300 0.160 0.000 2.658 825 W HA 0.304 4.957 4.660 -0.012 0.000 0.263 825 W C 1.510 178.066 176.519 0.062 0.000 1.274 825 W CA 0.872 58.291 57.345 0.124 0.000 1.343 825 W CB -1.102 28.419 29.460 0.101 0.000 1.106 825 W HN 0.330 nan 8.180 nan 0.000 0.615 826 G N 1.123 110.062 108.800 0.231 0.000 2.256 826 G HA2 -0.110 3.842 3.960 -0.012 0.000 0.272 826 G HA3 -0.110 3.842 3.960 -0.012 0.000 0.272 826 G C -0.313 174.659 174.900 0.121 0.000 1.076 826 G CA 0.241 45.418 45.100 0.128 0.000 0.882 826 G HN 0.422 nan 8.290 nan 0.000 0.497 827 V N -4.181 115.826 119.914 0.155 0.000 2.876 827 V HA 0.898 5.011 4.120 -0.012 0.000 0.312 827 V C -0.327 175.828 176.094 0.102 0.000 1.085 827 V CA -1.715 60.657 62.300 0.119 0.000 0.945 827 V CB 2.325 34.226 31.823 0.130 0.000 1.017 827 V HN 0.124 nan 8.190 nan 0.000 0.428 828 E N 4.049 124.291 120.200 0.070 0.000 2.200 828 E HA 0.500 4.842 4.350 -0.012 0.000 0.283 828 E C -2.434 174.204 176.600 0.063 0.000 1.015 828 E CA -1.770 54.665 56.400 0.058 0.000 0.819 828 E CB 1.612 31.338 29.700 0.042 0.000 1.081 828 E HN 0.735 nan 8.360 nan 0.000 0.397 829 P HA 0.074 nan 4.420 nan 0.000 0.272 829 P C -0.503 176.827 177.300 0.050 0.000 1.230 829 P CA -0.307 62.829 63.100 0.059 0.000 0.788 829 P CB 0.801 32.532 31.700 0.051 0.000 0.949 830 S N 0.654 116.385 115.700 0.052 0.000 2.614 830 S HA 0.303 4.765 4.470 -0.012 0.000 0.275 830 S C 0.370 174.996 174.600 0.043 0.000 1.161 830 S CA -0.762 57.466 58.200 0.048 0.000 0.969 830 S CB 0.959 64.194 63.200 0.058 0.000 1.059 830 S HN 0.267 nan 8.310 nan 0.000 0.482 831 R N 2.429 122.950 120.500 0.034 0.000 2.334 831 R HA 0.179 4.512 4.340 -0.012 0.000 0.220 831 R C 0.037 176.351 176.300 0.022 0.000 0.917 831 R CA 0.086 56.205 56.100 0.032 0.000 1.073 831 R CB 0.053 30.372 30.300 0.031 0.000 1.056 831 R HN 0.697 nan 8.270 nan 0.000 0.506 832 Q N 0.905 120.717 119.800 0.020 0.000 2.332 832 Q HA 0.114 4.447 4.340 -0.012 0.000 0.263 832 Q C -0.253 175.741 176.000 -0.009 0.000 0.979 832 Q CA 0.009 55.817 55.803 0.008 0.000 0.885 832 Q CB 0.943 29.689 28.738 0.013 0.000 1.218 832 Q HN -0.182 nan 8.270 nan 0.000 0.405 833 R N 1.457 121.943 120.500 -0.024 0.000 2.590 833 R HA 0.158 4.491 4.340 -0.012 0.000 0.274 833 R C -0.395 175.864 176.300 -0.068 0.000 1.061 833 R CA 0.119 56.192 56.100 -0.045 0.000 1.081 833 R CB 0.324 30.596 30.300 -0.046 0.000 0.984 833 R HN 0.495 nan 8.270 nan 0.000 0.448 834 L N 5.424 126.589 121.223 -0.097 0.000 2.418 834 L HA 0.356 4.688 4.340 -0.012 0.000 0.265 834 L C -1.683 175.128 176.870 -0.098 0.000 1.143 834 L CA -2.049 52.704 54.840 -0.144 0.000 0.809 834 L CB 1.000 42.941 42.059 -0.196 0.000 1.124 834 L HN 0.467 nan 8.230 nan 0.000 0.456 835 P HA 0.050 nan 4.420 nan 0.000 0.265 835 P C -0.741 176.530 177.300 -0.048 0.000 1.193 835 P CA -0.141 62.925 63.100 -0.058 0.000 0.765 835 P CB 0.755 32.426 31.700 -0.047 0.000 0.823 836 A N 0.000 122.799 122.820 -0.034 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486